*HEADER    TRANSFERASE                             12-AUG-04   1WO3              
*TITLE     SOLUTION STRUCTURE OF MINIMAL MUTANT 1 (MM1): 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 1WO3    0                                                

remark input file: noe.cfm                                           
remark output file: pep2noe.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  2.96
assign (resid   2 and name HN    )(resid   2 and name HG1*  )  0.00  0.00  4.45
assign (resid   2 and name HA    )(resid   2 and name HB    )  0.00  0.00  2.83
assign (resid   3 and name HN    )(resid   3 and name HB2   )  0.00  0.00  3.71
assign (resid   3 and name HN    )(resid   3 and name HB1   )  0.00  0.00  3.71
assign (resid   3 and name HN    )(resid   3 and name HB*   )  0.00  0.00  3.48
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  3.27
assign (resid   7 and name HN    )(resid   7 and name HG    )  0.00  0.00  2.86
assign (resid   7 and name HN    )(resid   7 and name HD1*  )  0.00  0.00  6.53
assign (resid   7 and name HN    )(resid   7 and name HD2*  )  0.00  0.00  6.53
assign (resid   7 and name HN    )(resid   7 and name HD*   )  0.00  0.00  5.91
assign (resid   7 and name HA    )(resid   7 and name HG    )  0.00  0.00  3.14
assign (resid   7 and name HA    )(resid   7 and name HD1*  )  0.00  0.00  6.53
assign (resid   7 and name HA    )(resid   7 and name HD2*  )  0.00  0.00  6.53
assign (resid   9 and name HN    )(resid   9 and name HG2   )  0.00  0.00  5.50
assign (resid   9 and name HN    )(resid   9 and name HG1   )  0.00  0.00  5.50
assign (resid   9 and name HN    )(resid   9 and name HG*   )  0.00  0.00  5.30
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  2.80
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  3.36
assign (resid  15 and name HN    )(resid  15 and name HB1   )  0.00  0.00  3.36
assign (resid  15 and name HA    )(resid  15 and name HD21  )  0.00  0.00  5.50
assign (resid  15 and name HA    )(resid  15 and name HD22  )  0.00  0.00  5.50
assign (resid  16 and name HN    )(resid  16 and name HB    )  0.00  0.00  2.71
assign (resid  16 and name HN    )(resid  16 and name HG2*  )  0.00  0.00  3.92
assign (resid  17 and name HN    )(resid  17 and name HA    )  0.00  0.00  2.86
assign (resid  19 and name HN    )(resid  19 and name HB2   )  0.00  0.00  3.33
assign (resid  19 and name HN    )(resid  19 and name HB1   )  0.00  0.00  3.33
assign (resid  19 and name HN    )(resid  19 and name HB*   )  0.00  0.00  3.12
assign (resid  19 and name HN    )(resid  19 and name HD2   )  0.00  0.00  5.00
assign (resid  19 and name HA    )(resid  19 and name HD2   )  0.00  0.00  5.50
assign (resid  20 and name HN    )(resid  20 and name HB2   )  0.00  0.00  3.58
assign (resid  20 and name HN    )(resid  20 and name HB1   )  0.00  0.00  3.58
assign (resid  20 and name HN    )(resid  20 and name HB*   )  0.00  0.00  3.36
assign (resid  20 and name HN    )(resid  20 and name HG*   )  0.00  0.00  4.42
assign (resid  21 and name HN    )(resid  21 and name HB    )  0.00  0.00  3.42
assign (resid  21 and name HN    )(resid  21 and name HG2*  )  0.00  0.00  3.92
assign (resid  21 and name HA    )(resid  21 and name HB    )  0.00  0.00  2.65
assign (resid  22 and name HN    )(resid  22 and name HD2   )  0.00  0.00  4.94
assign (resid  22 and name HA    )(resid  22 and name HD2   )  0.00  0.00  5.50
assign (resid  23 and name HN    )(resid  23 and name HB2   )  0.00  0.00  3.40
assign (resid  23 and name HN    )(resid  23 and name HB1   )  0.00  0.00  3.40
! total in this range:     44
! range |i-j| =     1
assign (resid   1 and name HA    )(resid   2 and name HN    )  0.00  0.00  2.86
assign (resid   2 and name HN    )(resid   3 and name HN    )  0.00  0.00  3.73
assign (resid   2 and name HB    )(resid   3 and name HN    )  0.00  0.00  4.57
assign (resid   2 and name HG1*  )(resid   3 and name HN    )  0.00  0.00  4.05
assign (resid   2 and name HG2*  )(resid   3 and name HN    )  0.00  0.00  6.53
assign (resid   3 and name HN    )(resid   4 and name HN    )  0.00  0.00  3.11
assign (resid   4 and name HA    )(resid   5 and name HN    )  0.00  0.00  3.17
assign (resid   7 and name HA    )(resid   8 and name HD2   )  0.00  0.00  3.36
assign (resid   7 and name HA    )(resid   8 and name HD1   )  0.00  0.00  3.36
assign (resid   7 and name HG    )(resid   8 and name HD*   )  0.00  0.00  4.74
assign (resid   8 and name HA    )(resid   9 and name HN    )  0.00  0.00  3.11
assign (resid   8 and name HB1   )(resid   9 and name HN    )  0.00  0.00  4.73
assign (resid   9 and name HN    )(resid  10 and name HN    )  0.00  0.00  5.07
assign (resid  12 and name HN    )(resid  13 and name HN    )  0.00  0.00  3.42
assign (resid  12 and name HA    )(resid  13 and name HN    )  0.00  0.00  3.55
assign (resid  13 and name HN    )(resid  14 and name HN    )  0.00  0.00  2.80
assign (resid  13 and name HN    )(resid  14 and name HA    )  0.00  0.00  4.04
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  7.03
assign (resid  14 and name HN    )(resid  15 and name HN    )  0.00  0.00  3.05
assign (resid  14 and name HA    )(resid  15 and name HN    )  0.00  0.00  2.99
assign (resid  15 and name HN    )(resid  16 and name HN    )  0.00  0.00  3.79
assign (resid  15 and name HA    )(resid  16 and name HN    )  0.00  0.00  2.46
assign (resid  15 and name HA    )(resid  16 and name HB    )  0.00  0.00  3.89
assign (resid  15 and name HA    )(resid  16 and name HG2*  )  0.00  0.00  5.32
assign (resid  15 and name HB2   )(resid  16 and name HN    )  0.00  0.00  5.50
assign (resid  15 and name HB1   )(resid  16 and name HN    )  0.00  0.00  5.50
assign (resid  16 and name HN    )(resid  17 and name HN    )  0.00  0.00  3.14
assign (resid  16 and name HB    )(resid  17 and name HN    )  0.00  0.00  2.83
assign (resid  16 and name HG1*  )(resid  17 and name HN    )  0.00  0.00  5.01
assign (resid  16 and name HG1*  )(resid  17 and name HA    )  0.00  0.00  5.50
assign (resid  16 and name HG2*  )(resid  17 and name HN    )  0.00  0.00  5.16
assign (resid  17 and name HN    )(resid  18 and name HN    )  0.00  0.00  2.86
assign (resid  19 and name HN    )(resid  20 and name HN    )  0.00  0.00  2.86
assign (resid  19 and name HN    )(resid  20 and name HB*   )  0.00  0.00  5.76
assign (resid  19 and name HB2   )(resid  20 and name HN    )  0.00  0.00  3.98
assign (resid  19 and name HB1   )(resid  20 and name HN    )  0.00  0.00  3.98
assign (resid  19 and name HB*   )(resid  20 and name HN    )  0.00  0.00  3.78
assign (resid  19 and name HD2   )(resid  20 and name HN    )  0.00  0.00  5.50
assign (resid  19 and name HD2   )(resid  20 and name HB*   )  0.00  0.00  6.88
assign (resid  19 and name HD2   )(resid  20 and name HG*   )  0.00  0.00  6.25
assign (resid  20 and name HN    )(resid  21 and name HN    )  0.00  0.00  3.24
assign (resid  20 and name HB2   )(resid  21 and name HN    )  0.00  0.00  4.73
assign (resid  20 and name HB1   )(resid  21 and name HN    )  0.00  0.00  4.73
assign (resid  20 and name HB*   )(resid  21 and name HN    )  0.00  0.00  4.43
assign (resid  21 and name HN    )(resid  22 and name HN    )  0.00  0.00  3.05
assign (resid  21 and name HB    )(resid  22 and name HN    )  0.00  0.00  4.35
assign (resid  22 and name HN    )(resid  23 and name HN    )  0.00  0.00  2.59
assign (resid  22 and name HN    )(resid  23 and name HB2   )  0.00  0.00  5.10
assign (resid  22 and name HN    )(resid  23 and name HB1   )  0.00  0.00  5.10
assign (resid  22 and name HN    )(resid  23 and name HB*   )  0.00  0.00  4.90
assign (resid  22 and name HA    )(resid  23 and name HN    )  0.00  0.00  3.55
assign (resid  22 and name HD2   )(resid  23 and name HN    )  0.00  0.00  4.32
assign (resid  22 and name HD2   )(resid  23 and name HA    )  0.00  0.00  4.29
assign (resid  22 and name HD2   )(resid  23 and name HB2   )  0.00  0.00  4.92
assign (resid  22 and name HD2   )(resid  23 and name HB1   )  0.00  0.00  4.92
assign (resid  22 and name HD2   )(resid  23 and name HB*   )  0.00  0.00  4.55
assign (resid  23 and name HA    )(resid  24 and name HN    )  0.00  0.00  2.86
assign (resid  24 and name HN    )(resid  25 and name HN    )  0.00  0.00  3.52
assign (resid  24 and name HA    )(resid  25 and name HN    )  0.00  0.00  3.02
! total in this range:     60
! range |i-j| =     2
assign (resid   1 and name HB*   )(resid   3 and name HN    )  0.00  0.00  5.07
assign (resid   5 and name HA    )(resid   7 and name HN    )  0.00  0.00  3.98
assign (resid   5 and name HB2   )(resid   7 and name HN    )  0.00  0.00  4.51
assign (resid   5 and name HB1   )(resid   7 and name HN    )  0.00  0.00  5.16
assign (resid  12 and name HA    )(resid  14 and name HN    )  0.00  0.00  4.97
assign (resid  13 and name HA    )(resid  15 and name HN    )  0.00  0.00  5.19
assign (resid  13 and name HB*   )(resid  15 and name HN    )  0.00  0.00  5.07
assign (resid  13 and name HB*   )(resid  15 and name HB2   )  0.00  0.00  5.69
assign (resid  13 and name HB*   )(resid  15 and name HB1   )  0.00  0.00  5.69
assign (resid  15 and name HN    )(resid  17 and name HB*   )  0.00  0.00  7.03
assign (resid  15 and name HA    )(resid  17 and name HN    )  0.00  0.00  3.86
assign (resid  19 and name HA    )(resid  21 and name HN    )  0.00  0.00  5.07
assign (resid  23 and name HA    )(resid  25 and name HN    )  0.00  0.00  4.23
! total in this range:     13
! range |i-j| =     3
assign (resid   2 and name HA    )(resid   5 and name HN    )  0.00  0.00  3.39
assign (resid   2 and name HA    )(resid   5 and name HB2   )  0.00  0.00  3.43
assign (resid   2 and name HA    )(resid   5 and name HB1   )  0.00  0.00  3.74
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  6.75
assign (resid   2 and name HG2*  )(resid   5 and name HB1   )  0.00  0.00  7.03
assign (resid  15 and name HN    )(resid  18 and name HB*   )  0.00  0.00  7.03
assign (resid  15 and name HB2   )(resid  18 and name HN    )  0.00  0.00  4.70
assign (resid  15 and name HB2   )(resid  18 and name HB*   )  0.00  0.00  5.94
assign (resid  15 and name HB1   )(resid  18 and name HN    )  0.00  0.00  4.70
assign (resid  15 and name HB1   )(resid  18 and name HB*   )  0.00  0.00  5.94
assign (resid  15 and name HB*   )(resid  18 and name HB*   )  0.00  0.00  5.36
assign (resid  15 and name HD21  )(resid  18 and name HB*   )  0.00  0.00  6.04
assign (resid  15 and name HD22  )(resid  18 and name HB*   )  0.00  0.00  6.04
assign (resid  15 and name HD2*  )(resid  18 and name HB*   )  0.00  0.00  5.73
assign (resid  16 and name HA    )(resid  19 and name HN    )  0.00  0.00  3.36
assign (resid  16 and name HA    )(resid  19 and name HB2   )  0.00  0.00  3.89
assign (resid  16 and name HA    )(resid  19 and name HB1   )  0.00  0.00  3.89
assign (resid  16 and name HA    )(resid  19 and name HB*   )  0.00  0.00  3.58
assign (resid  16 and name HA    )(resid  19 and name HD2   )  0.00  0.00  5.28
assign (resid  16 and name HG1*  )(resid  19 and name HD2   )  0.00  0.00  6.53
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  3.73
assign (resid  17 and name HA    )(resid  20 and name HB2   )  0.00  0.00  4.08
assign (resid  17 and name HA    )(resid  20 and name HB1   )  0.00  0.00  4.08
assign (resid  17 and name HA    )(resid  20 and name HB*   )  0.00  0.00  3.78
assign (resid  19 and name HA    )(resid  22 and name HD2   )  0.00  0.00  5.50
assign (resid  19 and name HA    )(resid  22 and name HE1   )  0.00  0.00  3.17
assign (resid  19 and name HE1   )(resid  22 and name HD2   )  0.00  0.00  3.98
assign (resid  20 and name HA    )(resid  23 and name HN    )  0.00  0.00  3.11
assign (resid  20 and name HA    )(resid  23 and name HB2   )  0.00  0.00  3.67
assign (resid  20 and name HA    )(resid  23 and name HB1   )  0.00  0.00  3.67
assign (resid  20 and name HA    )(resid  23 and name HB*   )  0.00  0.00  3.46
! total in this range:     33
! range |i-j| =     4
assign (resid  16 and name HA    )(resid  20 and name HN    )  0.00  0.00  4.57
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 HG*   )  0.00  0.00  6.01
assign (resid  18 and name HB*   )(resid  22 and name HE1   )  0.00  0.00  5.73
assign (resid  19 and name HD2   )(resid  23 and name HB2   )  0.00  0.00  5.54
assign (resid  19 and name HD2   )(resid  23 and name HB1   )  0.00  0.00  5.54
assign (resid  19 and name HD2   )(resid  23 and name HB*   )  0.00  0.00  5.30
assign (resid  19 and name HE1   )(resid  23 and name HA    )  0.00  0.00  5.50
assign (resid  19 and name HE1   )(resid  23 and name HB2   )  0.00  0.00  6.00
assign (resid  19 and name HE1   )(resid  23 and name HB1   )  0.00  0.00  6.00
! total in this range:     11
! range |i-j| =     5
! total in this range:      1
! range |i-j| =     6
assign (resid   5 and name HB2   )(resid  11 and name HB*   )  0.00  0.00  5.73
assign (resid   5 and name HB1   )(resid  11 and name HB*   )  0.00  0.00  5.45
! total in this range:      2
! range |i-j| =     9
! total in this range:      1
! range |i-j| =    11
assign (resid   2 and name HG2*  )(resid  13 and name HN    )  0.00  0.00  6.53
! total in this range:      1
! range |i-j| =    12
assign (resid   2 and name HG1*  )(resid  14 and name HA    )  0.00  0.00  4.76
assign (resid   2 and name HG2*  )(resid  14 and name HA    )  0.00  0.00  3.95
assign (resid  10 and name HB*   )(resid  22 and name HE1   )  0.00  0.00  5.36
! total in this range:      3
! range |i-j| =    13
assign (resid   2 and name HG2*  )(resid  15 and name HN    )  0.00  0.00  4.73
! total in this range:      2
! range |i-j| =    14
assign (resid   2 and name HB    )(resid  16 and name HA    )  0.00  0.00  3.92
assign (resid   2 and name HG1*  )(resid  16 and name HA    )  0.00  0.00  5.50
assign (resid   2 and name HG1*  )(resid  16 and name HG2*  )  0.00  0.00  6.66
assign (resid   2 and name HG2*  )(resid  16 and name HA    )  0.00  0.00  5.85
assign (resid   5 and name HN    )(resid  19 and name HE1   )  0.00  0.00  4.69
assign (resid   5 and name HA    )(resid  19 and name HE1   )  0.00  0.00  3.33
assign (resid   5 and name HB2   )(resid  19 and name HE1   )  0.00  0.00  3.49
assign (resid   5 and name HB1   )(resid  19 and name HE1   )  0.00  0.00  4.08
! total in this range:      9
! range |i-j| =    15
assign (resid   7 and name HD1*  )(resid  22 and name HE1   )  0.00  0.00  6.53
assign (resid   7 and name HD2*  )(resid  22 and name HE1   )  0.00  0.00  6.53
assign (resid   7 and name HD*   )(resid  22 and name HD2   )  0.00  0.00  7.26
assign (resid   7 and name HD*   )(resid  22 and name HE1   )  0.00  0.00  5.49
! total in this range:      4
! range |i-j| =    17
assign (resid   2 and name HN    )(resid  19 and name HD2   )  0.00  0.00  4.26
assign (resid   2 and name HA    )(resid  19 and name HB2   )  0.00  0.00  6.00
assign (resid   2 and name HA    )(resid  19 and name HB1   )  0.00  0.00  6.00
assign (resid   2 and name HA    )(resid  19 and name HD2   )  0.00  0.00  5.00
assign (resid   2 and name HA    )(resid  19 and name HE1   )  0.00  0.00  3.89
assign (resid   2 and name HB    )(resid  19 and name HN    )  0.00  0.00  5.50
assign (resid   2 and name HB    )(resid  19 and name HB*   )  0.00  0.00  5.30
assign (resid   2 and name HB    )(resid  19 and name HD2   )  0.00  0.00  3.70
assign (resid   2 and name HG1*  )(resid  19 and name HD2   )  0.00  0.00  6.53
assign (resid   2 and name HG2*  )(resid  19 and name HA    )  0.00  0.00  6.53
assign (resid   2 and name HG2*  )(resid  19 and name HB2   )  0.00  0.00  5.42
assign (resid   2 and name HG2*  )(resid  19 and name HB1   )  0.00  0.00  5.42
assign (resid   2 and name HG2*  )(resid  19 and name HB*   )  0.00  0.00  5.10
assign (resid   2 and name HG2*  )(resid  19 and name HD2   )  0.00  0.00  5.91
assign (resid   2 and name HG2*  )(resid  19 and name HE1   )  0.00  0.00  6.53
! total in this range:     15
! range |i-j| =    18
assign (resid   1 and name HA    )(resid  19 and name HD2   )  0.00  0.00  3.95
! total in this range:      2
! total constraints:      201
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  -3.562   4.639   3.555
    2   2H    ALA   1          2HT       ALA   1  -2.041   4.550   2.766
    3   3H    ALA   1          3HT       ALA   1  -2.148   5.185   4.357
    4    HA   ALA   1           HA       ALA   1  -1.268   2.976   4.344
    5   1HB   ALA   1          1HB       ALA   1  -2.333   3.510   6.342
    6   2HB   ALA   1          2HB       ALA   1  -3.089   1.987   5.870
    7   3HB   ALA   1          3HB       ALA   1  -3.933   3.512   5.600
    8    H    VAL   2           H        VAL   2  -1.862   0.650   4.251
    9    HA   VAL   2           HA       VAL   2  -2.673  -0.085   1.678
   10    HB   VAL   2           HB       VAL   2  -1.240  -1.494   3.107
   11   1HG1  VAL   2          1HG1      VAL   2  -2.511  -1.124   5.210
   12   2HG1  VAL   2          2HG1      VAL   2  -2.140  -2.821   4.895
   13   3HG1  VAL   2          3HG1      VAL   2  -3.765  -2.202   4.594
   14   1HG2  VAL   2          1HG2      VAL   2  -2.083  -2.667   1.288
   15   2HG2  VAL   2          2HG2      VAL   2  -3.734  -2.639   1.907
   16   3HG2  VAL   2          3HG2      VAL   2  -2.529  -3.688   2.656
   17    H    SER   3           H        SER   3  -4.464   0.092   4.705
   18    HA   SER   3           HA       SER   3  -6.785  -1.255   3.906
   19   1HB   SER   3          2HB       SER   3  -6.500   1.035   5.868
   20   2HB   SER   3          1HB       SER   3  -7.901  -0.028   5.739
   21    HG   SER   3           HG       SER   3  -6.242  -0.558   7.380
   22    H    ALA   4           H        ALA   4  -5.689   2.020   3.351
   23    HA   ALA   4           HA       ALA   4  -8.169   2.567   1.853
   24   1HB   ALA   4          1HB       ALA   4  -7.676   4.057   3.807
   25   2HB   ALA   4          2HB       ALA   4  -7.862   4.893   2.266
   26   3HB   ALA   4          3HB       ALA   4  -6.252   4.623   2.935
   27    H    CYS   5           H        CYS   5  -5.756   1.128   0.923
   28    HA   CYS   5           HA       CYS   5  -4.129   2.706  -0.704
   29   1HB   CYS   5          2HB       CYS   5  -3.431   0.484  -0.347
   30   2HB   CYS   5          1HB       CYS   5  -4.981  -0.180  -0.845
   31    H    ALA   6           H        ALA   6  -4.231   3.355  -2.826
   32    HA   ALA   6           HA       ALA   6  -6.925   3.417  -3.985
   33   1HB   ALA   6          1HB       ALA   6  -6.384   5.405  -5.007
   34   2HB   ALA   6          2HB       ALA   6  -4.661   5.035  -5.060
   35   3HB   ALA   6          3HB       ALA   6  -5.414   5.506  -3.537
   36    H    LEU   7           H        LEU   7  -3.697   2.246  -4.529
   37    HA   LEU   7           HA       LEU   7  -3.969   1.711  -7.311
   38   1HB   LEU   7          2HB       LEU   7  -2.063   0.889  -5.161
   39   2HB   LEU   7          1HB       LEU   7  -2.042   0.030  -6.689
   40    HG   LEU   7           HG       LEU   7  -1.682   3.014  -6.418
   41   1HD1  LEU   7          1HD1      LEU   7   0.564   1.293  -7.243
   42   2HD1  LEU   7          2HD1      LEU   7   0.110   1.214  -5.542
   43   3HD1  LEU   7          3HD1      LEU   7   0.553   2.760  -6.265
   44   1HD2  LEU   7          1HD2      LEU   7  -0.903   2.867  -8.734
   45   2HD2  LEU   7          2HD2      LEU   7  -2.574   2.326  -8.576
   46   3HD2  LEU   7          3HD2      LEU   7  -1.277   1.143  -8.748
   47    HA   PRO   8           HA       PRO   8  -6.209  -2.076  -7.406
   48   1HB   PRO   8          2HB       PRO   8  -4.802  -3.598  -9.177
   49   2HB   PRO   8          1HB       PRO   8  -5.819  -2.237  -9.661
   50   1HG   PRO   8          2HG       PRO   8  -2.852  -2.343  -9.280
   51   2HG   PRO   8          1HG       PRO   8  -3.787  -1.567 -10.572
   52   1HD   PRO   8          2HD       PRO   8  -2.754  -0.170  -8.508
   53   2HD   PRO   8          1HD       PRO   8  -4.295   0.273  -9.271
   54    H    LYS   9           H        LYS   9  -5.178  -2.242  -5.088
   55    HA   LYS   9           HA       LYS   9  -4.436  -3.621  -3.442
   56   1HB   LYS   9          2HB       LYS   9  -4.319  -5.789  -5.537
   57   2HB   LYS   9          1HB       LYS   9  -4.493  -5.989  -3.799
   58   1HG   LYS   9          2HG       LYS   9  -6.711  -5.427  -3.815
   59   2HG   LYS   9          1HG       LYS   9  -6.565  -4.443  -5.273
   60   1HD   LYS   9          2HD       LYS   9  -7.783  -6.401  -5.866
   61   2HD   LYS   9          1HD       LYS   9  -6.163  -6.572  -6.547
   62   1HE   LYS   9          2HE       LYS   9  -6.921  -7.734  -3.880
   63   2HE   LYS   9          1HE       LYS   9  -7.155  -8.612  -5.391
   64   1HZ   LYS   9          1HZ       LYS   9  -4.698  -7.983  -3.970
   65   2HZ   LYS   9          2HZ       LYS   9  -4.622  -7.879  -5.656
   66   3HZ   LYS   9          3HZ       LYS   9  -5.087  -9.329  -4.919
   67    H    CYS  10           H        CYS  10  -2.482  -3.524  -2.576
   68    HA   CYS  10           HA       CYS  10  -0.150  -4.088  -4.291
   69   1HB   CYS  10          2HB       CYS  10  -0.251  -2.138  -1.982
   70   2HB   CYS  10          1HB       CYS  10   1.110  -2.421  -3.061
   71    H    ALA  11           H        ALA  11  -1.033  -3.808  -0.847
   72    HA   ALA  11           HA       ALA  11   1.001  -5.404   0.175
   73   1HB   ALA  11          1HB       ALA  11  -0.256  -4.055   1.667
   74   2HB   ALA  11          2HB       ALA  11  -0.553  -5.731   2.130
   75   3HB   ALA  11          3HB       ALA  11  -1.768  -4.841   1.212
   76    H    ALA  12           H        ALA  12   1.407  -7.336  -0.776
   77    HA   ALA  12           HA       ALA  12  -0.794  -9.217  -1.185
   78   1HB   ALA  12          1HB       ALA  12   1.946 -10.018  -1.915
   79   2HB   ALA  12          2HB       ALA  12   1.288  -8.633  -2.787
   80   3HB   ALA  12          3HB       ALA  12   0.437 -10.177  -2.813
   81    H    ALA  13           H        ALA  13   0.468  -8.464   1.478
   82    HA   ALA  13           HA       ALA  13   0.308 -10.992   2.691
   83   1HB   ALA  13          1HB       ALA  13   2.359 -11.719   2.018
   84   2HB   ALA  13          2HB       ALA  13   2.835 -10.851   3.478
   85   3HB   ALA  13          3HB       ALA  13   3.022 -10.089   1.898
   86    H    ALA  14           H        ALA  14  -0.664  -8.317   3.062
   87    HA   ALA  14           HA       ALA  14  -1.092  -6.811   4.713
   88   1HB   ALA  14          1HB       ALA  14  -0.401  -7.772   7.092
   89   2HB   ALA  14          2HB       ALA  14  -0.288  -9.268   6.165
   90   3HB   ALA  14          3HB       ALA  14  -1.805  -8.368   6.207
   91    H    ASN  15           H        ASN  15   0.946  -5.895   3.442
   92    HA   ASN  15           HA       ASN  15   2.796  -4.978   5.530
   93   1HB   ASN  15          2HB       ASN  15   3.638  -6.803   3.711
   94   2HB   ASN  15          1HB       ASN  15   3.973  -5.314   2.832
   95   1HD2  ASN  15          1HD2      ASN  15   5.783  -7.310   3.991
   96   2HD2  ASN  15          2HD2      ASN  15   6.819  -6.435   5.062
   97    H    VAL  16           H        VAL  16   1.981  -3.048   5.729
   98    HA   VAL  16           HA       VAL  16   0.979  -1.356   3.764
   99    HB   VAL  16           HB       VAL  16   1.992  -1.074   6.537
  100   1HG1  VAL  16          1HG1      VAL  16   2.972   0.917   5.803
  101   2HG1  VAL  16          2HG1      VAL  16   1.380   1.434   6.362
  102   3HG1  VAL  16          3HG1      VAL  16   1.686   1.233   4.637
  103   1HG2  VAL  16          1HG2      VAL  16  -0.183  -0.797   7.060
  104   2HG2  VAL  16          2HG2      VAL  16  -0.434  -1.559   5.490
  105   3HG2  VAL  16          3HG2      VAL  16  -0.514   0.196   5.641
  106    H    ALA  17           H        ALA  17   4.269  -1.686   5.049
  107    HA   ALA  17           HA       ALA  17   5.469   0.506   3.855
  108   1HB   ALA  17          1HB       ALA  17   7.515  -1.179   3.773
  109   2HB   ALA  17          2HB       ALA  17   6.435  -2.146   4.778
  110   3HB   ALA  17          3HB       ALA  17   6.906  -0.526   5.293
  111    H    ALA  18           H        ALA  18   5.138  -2.788   2.545
  112    HA   ALA  18           HA       ALA  18   6.371  -2.300   0.077
  113   1HB   ALA  18          1HB       ALA  18   4.405  -4.336   1.043
  114   2HB   ALA  18          2HB       ALA  18   6.086  -4.547   0.553
  115   3HB   ALA  18          3HB       ALA  18   4.842  -4.263  -0.665
  116    H    HIS  19           H        HIS  19   3.268  -1.411   1.287
  117    HA   HIS  19           HA       HIS  19   2.186  -0.883  -1.353
  118   1HB   HIS  19          2HB       HIS  19   0.424  -1.615  -0.100
  119   2HB   HIS  19          1HB       HIS  19   1.104  -1.007   1.403
  120    HD2  HIS  19           2HD      HIS  19   0.038   1.268   2.314
  121    HE1  HIS  19           1HE      HIS  19  -1.955   2.398  -1.236
  122    HE2  HIS  19           2HE      HIS  19  -1.711   2.855   1.249
  123    H    MET  20           H        MET  20   2.507   1.091   1.618
  124    HA   MET  20           HA       MET  20   2.057   3.558   0.502
  125   1HB   MET  20          2HB       MET  20   2.641   2.737   2.978
  126   2HB   MET  20          1HB       MET  20   4.210   3.406   2.548
  127   1HG   MET  20          2HG       MET  20   3.455   5.538   2.533
  128   2HG   MET  20          1HG       MET  20   1.844   5.084   1.984
  129   1HE   MET  20          1HE       MET  20   3.110   4.099   6.287
  130   2HE   MET  20          2HE       MET  20   4.224   5.023   5.279
  131   3HE   MET  20          3HE       MET  20   3.752   3.392   4.804
  132    H    THR  21           H        THR  21   4.862   1.570   0.109
  133    HA   THR  21           HA       THR  21   6.857   3.385  -0.447
  134    HB   THR  21           HB       THR  21   7.184   0.948  -0.340
  135    HG1  THR  21           1HG      THR  21   8.667   0.845  -2.073
  136   1HG2  THR  21          1HG2      THR  21   6.393   0.623  -3.176
  137   2HG2  THR  21          2HG2      THR  21   5.130   0.574  -1.947
  138   3HG2  THR  21          3HG2      THR  21   6.475  -0.565  -1.875
  139    H    HIS  22           H        HIS  22   4.024   2.703  -2.325
  140    HA   HIS  22           HA       HIS  22   5.034   4.512  -4.428
  141   1HB   HIS  22          2HB       HIS  22   3.336   3.155  -5.904
  142   2HB   HIS  22          1HB       HIS  22   4.958   2.533  -5.625
  143    HD1  HIS  22           1HD      HIS  22   4.946   0.138  -5.141
  144    HD2  HIS  22           2HD      HIS  22   1.501   1.976  -3.680
  145    HE1  HIS  22           1HE      HIS  22   3.604  -1.694  -4.071
  146    HE2  HIS  22           2HE      HIS  22   1.645  -0.515  -3.028
  147    H    CYS  23           H        CYS  23   2.318   3.321  -2.593
  148    HA   CYS  23           HA       CYS  23   0.454   5.195  -3.715
  149   1HB   CYS  23          2HB       CYS  23   0.409   3.022  -1.676
  150   2HB   CYS  23          1HB       CYS  23  -0.891   4.198  -1.681
  151    H    ALA  24           H        ALA  24  -1.004   6.194  -1.755
  152    HA   ALA  24           HA       ALA  24  -1.173   7.897  -0.257
  153   1HB   ALA  24          1HB       ALA  24   0.421   7.911   1.631
  154   2HB   ALA  24          2HB       ALA  24   1.383   6.692   0.794
  155   3HB   ALA  24          3HB       ALA  24  -0.259   6.314   1.317
  156    H    LYS  25           H        LYS  25  -0.629   9.067  -2.397
  157    HA   LYS  25           HA       LYS  25   1.278  11.132  -1.751
  158   1HB   LYS  25          2HB       LYS  25   2.597   9.303  -2.917
  159   2HB   LYS  25          1HB       LYS  25   1.647   9.654  -4.355
  160   1HG   LYS  25          2HG       LYS  25   2.494  12.128  -3.774
  161   2HG   LYS  25          1HG       LYS  25   3.828  11.189  -3.100
  162   1HD   LYS  25          2HD       LYS  25   4.572  11.417  -5.248
  163   2HD   LYS  25          1HD       LYS  25   3.638   9.930  -5.419
  164   1HE   LYS  25          2HE       LYS  25   2.449  12.646  -5.915
  165   2HE   LYS  25          1HE       LYS  25   3.276  11.735  -7.179
  166   1HZ   LYS  25          1HZ       LYS  25   1.625   9.875  -6.348
  167   2HZ   LYS  25          2HZ       LYS  25   1.165  11.015  -7.509
  168   3HZ   LYS  25          3HZ       LYS  25   0.703  11.218  -5.895
  Start of MODEL    2
    1   1H    ALA   1          1HT       ALA   1  -0.309   4.013   3.177
    2   2H    ALA   1          2HT       ALA   1  -0.813   5.352   4.124
    3   3H    ALA   1          3HT       ALA   1  -1.680   4.927   2.704
    4    HA   ALA   1           HA       ALA   1  -1.382   3.182   5.049
    5   1HB   ALA   1          1HB       ALA   1  -2.690   4.755   6.020
    6   2HB   ALA   1          2HB       ALA   1  -3.954   3.903   5.133
    7   3HB   ALA   1          3HB       ALA   1  -3.266   5.389   4.479
    8    H    VAL   2           H        VAL   2  -1.534   1.187   4.261
    9    HA   VAL   2           HA       VAL   2  -2.597   0.478   1.771
   10    HB   VAL   2           HB       VAL   2  -1.026  -0.948   3.015
   11   1HG1  VAL   2          1HG1      VAL   2  -1.496  -2.016   4.990
   12   2HG1  VAL   2          2HG1      VAL   2  -3.238  -1.981   4.724
   13   3HG1  VAL   2          3HG1      VAL   2  -2.390  -0.514   5.213
   14   1HG2  VAL   2          1HG2      VAL   2  -2.834  -1.769   1.290
   15   2HG2  VAL   2          2HG2      VAL   2  -3.456  -2.641   2.692
   16   3HG2  VAL   2          3HG2      VAL   2  -1.804  -2.920   2.142
   17    H    SER   3           H        SER   3  -4.100   0.835   4.902
   18    HA   SER   3           HA       SER   3  -6.460  -0.607   4.456
   19   1HB   SER   3          2HB       SER   3  -5.886   1.795   6.198
   20   2HB   SER   3          1HB       SER   3  -7.432   0.946   6.209
   21    HG   SER   3           HG       SER   3  -6.082  -0.992   6.633
   22    H    ALA   4           H        ALA   4  -5.495   2.624   3.510
   23    HA   ALA   4           HA       ALA   4  -8.110   2.990   2.202
   24   1HB   ALA   4          1HB       ALA   4  -6.290   5.302   2.575
   25   2HB   ALA   4          2HB       ALA   4  -7.092   4.654   4.005
   26   3HB   ALA   4          3HB       ALA   4  -8.051   5.222   2.638
   27    H    CYS   5           H        CYS   5  -5.779   1.496   1.173
   28    HA   CYS   5           HA       CYS   5  -4.509   3.067  -0.834
   29   1HB   CYS   5          2HB       CYS   5  -3.391   1.096  -0.053
   30   2HB   CYS   5          1HB       CYS   5  -4.769   0.081  -0.451
   31    H    ALA   6           H        ALA   6  -4.871   3.121  -3.049
   32    HA   ALA   6           HA       ALA   6  -7.592   2.348  -3.863
   33   1HB   ALA   6          1HB       ALA   6  -7.722   4.213  -5.197
   34   2HB   ALA   6          2HB       ALA   6  -5.974   4.318  -5.409
   35   3HB   ALA   6          3HB       ALA   6  -6.709   4.817  -3.885
   36    H    LEU   7           H        LEU   7  -4.230   1.892  -4.488
   37    HA   LEU   7           HA       LEU   7  -4.340   1.036  -7.164
   38   1HB   LEU   7          2HB       LEU   7  -2.437   0.676  -4.902
   39   2HB   LEU   7          1HB       LEU   7  -2.256  -0.364  -6.301
   40    HG   LEU   7           HG       LEU   7  -2.297   2.646  -6.472
   41   1HD1  LEU   7          1HD1      LEU   7  -0.113   2.766  -6.015
   42   2HD1  LEU   7          2HD1      LEU   7   0.251   1.286  -6.903
   43   3HD1  LEU   7          3HD1      LEU   7  -0.332   1.196  -5.241
   44   1HD2  LEU   7          1HD2      LEU   7  -2.863   1.185  -8.488
   45   2HD2  LEU   7          2HD2      LEU   7  -1.173   0.683  -8.445
   46   3HD2  LEU   7          3HD2      LEU   7  -1.583   2.382  -8.688
   47    HA   PRO   8           HA       PRO   8  -6.317  -2.910  -6.632
   48   1HB   PRO   8          2HB       PRO   8  -5.964  -3.902  -9.098
   49   2HB   PRO   8          1HB       PRO   8  -7.048  -2.539  -8.797
   50   1HG   PRO   8          2HG       PRO   8  -4.252  -2.537  -9.866
   51   2HG   PRO   8          1HG       PRO   8  -5.656  -1.595 -10.401
   52   1HD   PRO   8          2HD       PRO   8  -3.685  -0.616  -8.761
   53   2HD   PRO   8          1HD       PRO   8  -5.347   0.001  -8.790
   54    H    LYS   9           H        LYS   9  -5.655  -4.802  -5.810
   55    HA   LYS   9           HA       LYS   9  -4.307  -6.513  -5.150
   56   1HB   LYS   9          2HB       LYS   9  -3.595  -6.098  -8.011
   57   2HB   LYS   9          1HB       LYS   9  -2.545  -7.136  -7.056
   58   1HG   LYS   9          2HG       LYS   9  -5.437  -7.659  -6.824
   59   2HG   LYS   9          1HG       LYS   9  -4.699  -8.014  -8.388
   60   1HD   LYS   9          2HD       LYS   9  -3.496  -9.746  -7.572
   61   2HD   LYS   9          1HD       LYS   9  -3.204  -8.949  -6.025
   62   1HE   LYS   9          2HE       LYS   9  -5.992  -9.742  -6.544
   63   2HE   LYS   9          1HE       LYS   9  -4.847 -11.070  -6.357
   64   1HZ   LYS   9          1HZ       LYS   9  -4.858  -8.873  -4.400
   65   2HZ   LYS   9          2HZ       LYS   9  -4.384 -10.484  -4.198
   66   3HZ   LYS   9          3HZ       LYS   9  -6.027 -10.091  -4.291
   67    H    CYS  10           H        CYS  10  -3.515  -3.779  -4.533
   68    HA   CYS  10           HA       CYS  10  -0.721  -3.449  -4.812
   69   1HB   CYS  10          2HB       CYS  10  -2.691  -1.804  -4.051
   70   2HB   CYS  10          1HB       CYS  10  -2.101  -2.268  -2.458
   71    H    ALA  11           H        ALA  11  -2.697  -4.562  -2.066
   72    HA   ALA  11           HA       ALA  11  -0.612  -5.086  -0.292
   73   1HB   ALA  11          1HB       ALA  11  -2.176  -6.444   0.935
   74   2HB   ALA  11          2HB       ALA  11  -3.217  -6.592  -0.481
   75   3HB   ALA  11          3HB       ALA  11  -3.015  -5.026   0.306
   76    H    ALA  12           H        ALA  12   1.048  -6.422  -0.497
   77    HA   ALA  12           HA       ALA  12   0.852  -8.716  -2.293
   78   1HB   ALA  12          1HB       ALA  12   3.360  -7.941  -0.865
   79   2HB   ALA  12          2HB       ALA  12   2.784  -6.977  -2.225
   80   3HB   ALA  12          3HB       ALA  12   3.155  -8.686  -2.451
   81    H    ALA  13           H        ALA  13   1.113  -7.947   1.091
   82    HA   ALA  13           HA       ALA  13   0.380 -10.560   1.885
   83   1HB   ALA  13          1HB       ALA  13   2.406 -11.251   3.033
   84   2HB   ALA  13          2HB       ALA  13   3.243  -9.807   2.462
   85   3HB   ALA  13          3HB       ALA  13   2.719 -11.037   1.311
   86    H    ALA  14           H        ALA  14  -0.439  -7.853   2.348
   87    HA   ALA  14           HA       ALA  14  -1.218  -6.543   4.036
   88   1HB   ALA  14          1HB       ALA  14  -0.443  -8.667   6.005
   89   2HB   ALA  14          2HB       ALA  14  -1.804  -8.889   4.905
   90   3HB   ALA  14          3HB       ALA  14  -1.808  -7.551   6.055
   91    H    ASN  15           H        ASN  15   1.058  -5.607   3.286
   92    HA   ASN  15           HA       ASN  15   2.466  -4.944   5.776
   93   1HB   ASN  15          2HB       ASN  15   3.617  -6.646   4.011
   94   2HB   ASN  15          1HB       ASN  15   4.152  -5.106   3.344
   95   1HD2  ASN  15          1HD2      ASN  15   4.870  -3.541   5.197
   96   2HD2  ASN  15          2HD2      ASN  15   5.993  -4.230   6.313
   97    H    VAL  16           H        VAL  16   1.659  -2.996   5.973
   98    HA   VAL  16           HA       VAL  16   0.978  -1.096   4.156
   99    HB   VAL  16           HB       VAL  16   1.997  -1.047   6.940
  100   1HG1  VAL  16          1HG1      VAL  16   3.150   0.889   6.205
  101   2HG1  VAL  16          2HG1      VAL  16   1.674   1.475   6.970
  102   3HG1  VAL  16          3HG1      VAL  16   1.790   1.416   5.211
  103   1HG2  VAL  16          1HG2      VAL  16  -0.174   0.073   7.323
  104   2HG2  VAL  16          2HG2      VAL  16  -0.334  -1.495   6.531
  105   3HG2  VAL  16          3HG2      VAL  16  -0.492  -0.011   5.591
  106    H    ALA  17           H        ALA  17   4.231  -1.667   5.478
  107    HA   ALA  17           HA       ALA  17   5.561   0.474   4.318
  108   1HB   ALA  17          1HB       ALA  17   6.379  -2.226   5.251
  109   2HB   ALA  17          2HB       ALA  17   6.912  -0.632   5.788
  110   3HB   ALA  17          3HB       ALA  17   7.525  -1.304   4.277
  111    H    ALA  18           H        ALA  18   5.087  -2.799   2.999
  112    HA   ALA  18           HA       ALA  18   6.388  -2.362   0.551
  113   1HB   ALA  18          1HB       ALA  18   5.533  -4.559   1.650
  114   2HB   ALA  18          2HB       ALA  18   5.568  -4.421  -0.109
  115   3HB   ALA  18          3HB       ALA  18   4.048  -4.213   0.762
  116    H    HIS  19           H        HIS  19   3.308  -1.346   1.717
  117    HA   HIS  19           HA       HIS  19   2.272  -0.801  -0.936
  118   1HB   HIS  19          2HB       HIS  19   0.468  -1.431   0.307
  119   2HB   HIS  19          1HB       HIS  19   1.166  -0.843   1.811
  120    HD2  HIS  19           2HD      HIS  19   0.231   1.509   2.684
  121    HE1  HIS  19           1HE      HIS  19  -1.724   2.669  -0.878
  122    HE2  HIS  19           2HE      HIS  19  -1.158   3.344   1.494
  123    H    MET  20           H        MET  20   2.689   1.196   2.006
  124    HA   MET  20           HA       MET  20   2.349   3.667   0.852
  125   1HB   MET  20          2HB       MET  20   2.908   2.851   3.340
  126   2HB   MET  20          1HB       MET  20   4.496   3.460   2.895
  127   1HG   MET  20          2HG       MET  20   3.348   5.603   2.223
  128   2HG   MET  20          1HG       MET  20   1.902   4.966   3.005
  129   1HE   MET  20          1HE       MET  20   1.961   6.544   6.008
  130   2HE   MET  20          2HE       MET  20   1.501   6.650   4.309
  131   3HE   MET  20          3HE       MET  20   2.737   7.727   4.957
  132    H    THR  21           H        THR  21   5.056   1.542   0.488
  133    HA   THR  21           HA       THR  21   7.128   3.264  -0.102
  134    HB   THR  21           HB       THR  21   7.338   0.809   0.070
  135    HG1  THR  21           1HG      THR  21   9.082   1.682  -0.866
  136   1HG2  THR  21          1HG2      THR  21   6.548   0.514  -2.781
  137   2HG2  THR  21          2HG2      THR  21   5.308   0.451  -1.530
  138   3HG2  THR  21          3HG2      THR  21   6.646  -0.697  -1.502
  139    H    HIS  22           H        HIS  22   4.273   2.645  -1.969
  140    HA   HIS  22           HA       HIS  22   5.360   4.352  -4.117
  141   1HB   HIS  22          2HB       HIS  22   3.614   3.040  -5.565
  142   2HB   HIS  22          1HB       HIS  22   5.198   2.341  -5.254
  143    HD1  HIS  22           1HD      HIS  22   5.028  -0.045  -4.757
  144    HD2  HIS  22           2HD      HIS  22   1.720   2.025  -3.289
  145    HE1  HIS  22           1HE      HIS  22   3.581  -1.774  -3.655
  146    HE2  HIS  22           2HE      HIS  22   1.713  -0.463  -2.607
  147    H    CYS  23           H        CYS  23   2.606   3.351  -2.236
  148    HA   CYS  23           HA       CYS  23   0.828   5.279  -3.417
  149   1HB   CYS  23          2HB       CYS  23   0.676   3.151  -1.336
  150   2HB   CYS  23          1HB       CYS  23  -0.563   4.390  -1.359
  151    H    ALA  24           H        ALA  24   2.126   7.182  -2.916
  152    HA   ALA  24           HA       ALA  24   1.453   8.234  -0.277
  153   1HB   ALA  24          1HB       ALA  24   3.876   9.271  -0.351
  154   2HB   ALA  24          2HB       ALA  24   4.214   7.828  -1.307
  155   3HB   ALA  24          3HB       ALA  24   3.584   7.671   0.333
  156    H    LYS  25           H        LYS  25   0.356   8.751  -2.857
  157    HA   LYS  25           HA       LYS  25   1.336  11.461  -3.436
  158   1HB   LYS  25          2HB       LYS  25   1.219   9.779  -5.307
  159   2HB   LYS  25          1HB       LYS  25  -0.530   9.785  -5.118
  160   1HG   LYS  25          2HG       LYS  25  -0.768  11.807  -6.096
  161   2HG   LYS  25          1HG       LYS  25   0.764  12.416  -5.467
  162   1HD   LYS  25          2HD       LYS  25   1.972  11.578  -7.217
  163   2HD   LYS  25          1HD       LYS  25   0.854  10.240  -7.489
  164   1HE   LYS  25          2HE       LYS  25  -0.186  12.966  -7.975
  165   2HE   LYS  25          1HE       LYS  25   1.023  12.367  -9.110
  166   1HZ   LYS  25          1HZ       LYS  25  -1.119  11.789  -9.928
  167   2HZ   LYS  25          2HZ       LYS  25  -1.584  11.116  -8.448
  168   3HZ   LYS  25          3HZ       LYS  25  -0.392  10.362  -9.381
  Start of MODEL    3
    1   1H    ALA   1          1HT       ALA   1  -1.650   5.160   2.935
    2   2H    ALA   1          2HT       ALA   1  -2.016   5.639   4.542
    3   3H    ALA   1          3HT       ALA   1  -3.249   5.001   3.533
    4    HA   ALA   1           HA       ALA   1  -0.853   3.461   4.192
    5   1HB   ALA   1          1HB       ALA   1  -1.892   4.240   6.296
    6   2HB   ALA   1          2HB       ALA   1  -1.996   2.492   6.080
    7   3HB   ALA   1          3HB       ALA   1  -3.411   3.504   5.786
    8    H    VAL   2           H        VAL   2  -1.508   1.105   4.229
    9    HA   VAL   2           HA       VAL   2  -2.609   0.384   1.763
   10    HB   VAL   2           HB       VAL   2  -1.060  -1.058   3.014
   11   1HG1  VAL   2          1HG1      VAL   2  -2.182  -0.593   5.243
   12   2HG1  VAL   2          2HG1      VAL   2  -1.663  -2.252   4.952
   13   3HG1  VAL   2          3HG1      VAL   2  -3.365  -1.819   4.787
   14   1HG2  VAL   2          1HG2      VAL   2  -2.637  -1.942   1.258
   15   2HG2  VAL   2          2HG2      VAL   2  -3.659  -2.513   2.576
   16   3HG2  VAL   2          3HG2      VAL   2  -2.020  -3.140   2.398
   17    H    SER   3           H        SER   3  -4.081   0.823   4.897
   18    HA   SER   3           HA       SER   3  -6.479  -0.572   4.475
   19   1HB   SER   3          2HB       SER   3  -5.563   1.573   6.320
   20   2HB   SER   3          1HB       SER   3  -7.305   1.360   6.142
   21    HG   SER   3           HG       SER   3  -6.845  -0.940   6.568
   22    H    ALA   4           H        ALA   4  -5.435   2.625   3.505
   23    HA   ALA   4           HA       ALA   4  -8.050   3.053   2.216
   24   1HB   ALA   4          1HB       ALA   4  -7.945   4.902   3.519
   25   2HB   ALA   4          2HB       ALA   4  -7.002   5.510   2.159
   26   3HB   ALA   4          3HB       ALA   4  -6.182   4.887   3.590
   27    H    CYS   5           H        CYS   5  -5.754   1.515   1.175
   28    HA   CYS   5           HA       CYS   5  -4.465   3.073  -0.835
   29   1HB   CYS   5          2HB       CYS   5  -3.364   1.095  -0.049
   30   2HB   CYS   5          1HB       CYS   5  -4.750   0.090  -0.442
   31    H    ALA   6           H        ALA   6  -4.835   3.126  -3.047
   32    HA   ALA   6           HA       ALA   6  -7.563   2.371  -3.852
   33   1HB   ALA   6          1HB       ALA   6  -7.276   4.109  -5.628
   34   2HB   ALA   6          2HB       ALA   6  -5.748   4.550  -4.868
   35   3HB   ALA   6          3HB       ALA   6  -7.259   4.736  -3.980
   36    H    LEU   7           H        LEU   7  -4.205   1.888  -4.484
   37    HA   LEU   7           HA       LEU   7  -4.329   1.028  -7.159
   38   1HB   LEU   7          2HB       LEU   7  -2.421   0.663  -4.901
   39   2HB   LEU   7          1HB       LEU   7  -2.250  -0.380  -6.299
   40    HG   LEU   7           HG       LEU   7  -2.277   2.630  -6.476
   41   1HD1  LEU   7          1HD1      LEU   7   0.264   1.256  -6.910
   42   2HD1  LEU   7          2HD1      LEU   7  -0.316   1.174  -5.247
   43   3HD1  LEU   7          3HD1      LEU   7  -0.090   2.739  -6.026
   44   1HD2  LEU   7          1HD2      LEU   7  -2.855   1.165  -8.487
   45   2HD2  LEU   7          2HD2      LEU   7  -1.166   0.657  -8.448
   46   3HD2  LEU   7          3HD2      LEU   7  -1.570   2.357  -8.693
   47    HA   PRO   8           HA       PRO   8  -6.328  -2.905  -6.608
   48   1HB   PRO   8          2HB       PRO   8  -5.987  -3.907  -9.073
   49   2HB   PRO   8          1HB       PRO   8  -7.065  -2.537  -8.772
   50   1HG   PRO   8          2HG       PRO   8  -4.273  -2.550  -9.850
   51   2HG   PRO   8          1HG       PRO   8  -5.674  -1.604 -10.383
   52   1HD   PRO   8          2HD       PRO   8  -3.692  -0.629  -8.753
   53   2HD   PRO   8          1HD       PRO   8  -5.353  -0.005  -8.777
   54    H    LYS   9           H        LYS   9  -5.671  -4.799  -5.783
   55    HA   LYS   9           HA       LYS   9  -4.330  -6.515  -5.125
   56   1HB   LYS   9          2HB       LYS   9  -3.229  -6.095  -7.907
   57   2HB   LYS   9          1HB       LYS   9  -2.798  -7.455  -6.878
   58   1HG   LYS   9          2HG       LYS   9  -5.474  -7.658  -6.800
   59   2HG   LYS   9          1HG       LYS   9  -5.267  -6.933  -8.396
   60   1HD   LYS   9          2HD       LYS   9  -4.992  -9.068  -9.058
   61   2HD   LYS   9          1HD       LYS   9  -3.348  -8.840  -8.457
   62   1HE   LYS   9          2HE       LYS   9  -5.629  -9.923  -6.810
   63   2HE   LYS   9          1HE       LYS   9  -4.449 -10.926  -7.653
   64   1HZ   LYS   9          1HZ       LYS   9  -3.631  -8.868  -5.692
   65   2HZ   LYS   9          2HZ       LYS   9  -2.732 -10.175  -6.278
   66   3HZ   LYS   9          3HZ       LYS   9  -4.022 -10.446  -5.220
   67    H    CYS  10           H        CYS  10  -3.523  -3.783  -4.517
   68    HA   CYS  10           HA       CYS  10  -0.727  -3.468  -4.806
   69   1HB   CYS  10          2HB       CYS  10  -2.685  -1.809  -4.049
   70   2HB   CYS  10          1HB       CYS  10  -2.100  -2.271  -2.455
   71    H    ALA  11           H        ALA  11  -2.705  -4.569  -2.057
   72    HA   ALA  11           HA       ALA  11  -0.623  -5.091  -0.279
   73   1HB   ALA  11          1HB       ALA  11  -2.189  -6.450   0.946
   74   2HB   ALA  11          2HB       ALA  11  -3.228  -6.595  -0.471
   75   3HB   ALA  11          3HB       ALA  11  -3.025  -5.031   0.317
   76    H    ALA  12           H        ALA  12   1.056  -6.394  -0.541
   77    HA   ALA  12           HA       ALA  12   0.859  -8.700  -2.314
   78   1HB   ALA  12          1HB       ALA  12   3.394  -8.089  -0.915
   79   2HB   ALA  12          2HB       ALA  12   2.813  -6.900  -2.080
   80   3HB   ALA  12          3HB       ALA  12   3.106  -8.562  -2.590
   81    H    ALA  13           H        ALA  13   1.115  -7.937   1.072
   82    HA   ALA  13           HA       ALA  13   0.379 -10.550   1.861
   83   1HB   ALA  13          1HB       ALA  13   2.604 -10.824   3.236
   84   2HB   ALA  13          2HB       ALA  13   3.273  -9.858   1.921
   85   3HB   ALA  13          3HB       ALA  13   2.487 -11.397   1.573
   86    H    ALA  14           H        ALA  14  -0.435  -7.843   2.330
   87    HA   ALA  14           HA       ALA  14  -1.210  -6.534   4.021
   88   1HB   ALA  14          1HB       ALA  14  -0.477  -8.440   6.155
   89   2HB   ALA  14          2HB       ALA  14  -1.566  -9.039   4.905
   90   3HB   ALA  14          3HB       ALA  14  -2.003  -7.613   5.844
   91    H    ASN  15           H        ASN  15   1.068  -5.603   3.273
   92    HA   ASN  15           HA       ASN  15   2.477  -4.948   5.765
   93   1HB   ASN  15          2HB       ASN  15   3.622  -6.648   3.990
   94   2HB   ASN  15          1HB       ASN  15   4.168  -5.106   3.339
   95   1HD2  ASN  15          1HD2      ASN  15   5.882  -4.183   4.227
   96   2HD2  ASN  15          2HD2      ASN  15   6.611  -4.647   5.722
   97    H    VAL  16           H        VAL  16   1.677  -2.999   5.965
   98    HA   VAL  16           HA       VAL  16   1.001  -1.093   4.152
   99    HB   VAL  16           HB       VAL  16   2.023  -1.052   6.935
  100   1HG1  VAL  16          1HG1      VAL  16   1.803   1.422   5.222
  101   2HG1  VAL  16          2HG1      VAL  16   3.183   0.882   6.176
  102   3HG1  VAL  16          3HG1      VAL  16   1.728   1.464   6.983
  103   1HG2  VAL  16          1HG2      VAL  16  -0.125  -0.185   7.439
  104   2HG2  VAL  16          2HG2      VAL  16  -0.361  -1.464   6.248
  105   3HG2  VAL  16          3HG2      VAL  16  -0.432   0.227   5.752
  106    H    ALA  17           H        ALA  17   4.254  -1.668   5.475
  107    HA   ALA  17           HA       ALA  17   5.588   0.467   4.311
  108   1HB   ALA  17          1HB       ALA  17   7.032  -2.113   4.387
  109   2HB   ALA  17          2HB       ALA  17   6.356  -1.535   5.909
  110   3HB   ALA  17          3HB       ALA  17   7.499  -0.532   5.013
  111    H    ALA  18           H        ALA  18   5.108  -2.807   2.999
  112    HA   ALA  18           HA       ALA  18   6.410  -2.377   0.550
  113   1HB   ALA  18          1HB       ALA  18   5.555  -4.570   1.652
  114   2HB   ALA  18          2HB       ALA  18   5.587  -4.435  -0.106
  115   3HB   ALA  18          3HB       ALA  18   4.069  -4.224   0.766
  116    H    HIS  19           H        HIS  19   3.332  -1.354   1.714
  117    HA   HIS  19           HA       HIS  19   2.296  -0.814  -0.941
  118   1HB   HIS  19          2HB       HIS  19   0.492  -1.437   0.305
  119   2HB   HIS  19          1HB       HIS  19   1.191  -0.848   1.808
  120    HD2  HIS  19           2HD      HIS  19   0.265   1.510   2.675
  121    HE1  HIS  19           1HE      HIS  19  -1.696   2.662  -0.885
  122    HE2  HIS  19           2HE      HIS  19  -1.125   3.344   1.484
  123    H    MET  20           H        MET  20   2.718   1.192   1.997
  124    HA   MET  20           HA       MET  20   2.380   3.659   0.836
  125   1HB   MET  20          2HB       MET  20   2.919   2.866   3.325
  126   2HB   MET  20          1HB       MET  20   4.526   3.427   2.885
  127   1HG   MET  20          2HG       MET  20   3.184   5.546   2.073
  128   2HG   MET  20          1HG       MET  20   2.013   4.959   3.252
  129   1HE   MET  20          1HE       MET  20   3.061   5.182   6.412
  130   2HE   MET  20          2HE       MET  20   1.826   5.508   5.196
  131   3HE   MET  20          3HE       MET  20   2.719   6.842   5.927
  132    H    THR  21           H        THR  21   5.084   1.530   0.475
  133    HA   THR  21           HA       THR  21   7.157   3.249  -0.124
  134    HB   THR  21           HB       THR  21   7.366   0.795   0.058
  135    HG1  THR  21           1HG      THR  21   8.329   1.983  -2.324
  136   1HG2  THR  21          1HG2      THR  21   6.661   0.408  -2.783
  137   2HG2  THR  21          2HG2      THR  21   5.333   0.509  -1.627
  138   3HG2  THR  21          3HG2      THR  21   6.586  -0.716  -1.426
  139    H    HIS  22           H        HIS  22   4.299   2.624  -1.984
  140    HA   HIS  22           HA       HIS  22   5.385   4.321  -4.142
  141   1HB   HIS  22          2HB       HIS  22   3.638   3.005  -5.584
  142   2HB   HIS  22          1HB       HIS  22   5.220   2.303  -5.266
  143    HD1  HIS  22           1HD      HIS  22   5.039  -0.081  -4.764
  144    HD2  HIS  22           2HD      HIS  22   1.741   2.008  -3.299
  145    HE1  HIS  22           1HE      HIS  22   3.586  -1.801  -3.653
  146    HE2  HIS  22           2HE      HIS  22   1.724  -0.478  -2.607
  147    H    CYS  23           H        CYS  23   2.633   3.333  -2.250
  148    HA   CYS  23           HA       CYS  23   0.856   5.257  -3.437
  149   1HB   CYS  23          2HB       CYS  23   0.703   3.137  -1.351
  150   2HB   CYS  23          1HB       CYS  23  -0.532   4.379  -1.373
  151    H    ALA  24           H        ALA  24   1.610   7.305  -3.001
  152    HA   ALA  24           HA       ALA  24   1.298   8.200  -0.247
  153   1HB   ALA  24          1HB       ALA  24   3.707   9.264  -1.597
  154   2HB   ALA  24          2HB       ALA  24   3.796   7.613  -0.982
  155   3HB   ALA  24          3HB       ALA  24   3.410   8.942   0.111
  156    H    LYS  25           H        LYS  25  -0.304   8.571  -2.572
  157    HA   LYS  25           HA       LYS  25  -0.102  11.492  -2.830
  158   1HB   LYS  25          2HB       LYS  25   0.574   9.953  -4.895
  159   2HB   LYS  25          1HB       LYS  25  -1.168   9.935  -5.134
  160   1HG   LYS  25          2HG       LYS  25  -1.267  12.185  -5.599
  161   2HG   LYS  25          1HG       LYS  25   0.230  12.538  -4.733
  162   1HD   LYS  25          2HD       LYS  25   0.765  12.753  -7.016
  163   2HD   LYS  25          1HD       LYS  25   1.410  11.183  -6.533
  164   1HE   LYS  25          2HE       LYS  25  -1.360  11.207  -7.559
  165   2HE   LYS  25          1HE       LYS  25  -0.091  11.562  -8.731
  166   1HZ   LYS  25          1HZ       LYS  25   1.013   9.469  -7.777
  167   2HZ   LYS  25          2HZ       LYS  25  -0.295   9.274  -8.830
  168   3HZ   LYS  25          3HZ       LYS  25  -0.521   9.102  -7.162
  Start of MODEL    4
    1   1H    ALA   1          1HT       ALA   1  -2.881   5.067   3.124
    2   2H    ALA   1          2HT       ALA   1  -1.194   4.928   2.841
    3   3H    ALA   1          3HT       ALA   1  -1.767   5.671   4.278
    4    HA   ALA   1           HA       ALA   1  -0.911   3.330   4.410
    5   1HB   ALA   1          1HB       ALA   1  -2.297   4.630   6.098
    6   2HB   ALA   1          2HB       ALA   1  -2.362   2.870   6.203
    7   3HB   ALA   1          3HB       ALA   1  -3.693   3.759   5.462
    8    H    VAL   2           H        VAL   2  -1.513   1.126   4.238
    9    HA   VAL   2           HA       VAL   2  -2.611   0.383   1.775
   10    HB   VAL   2           HB       VAL   2  -1.053  -1.043   3.033
   11   1HG1  VAL   2          1HG1      VAL   2  -2.395  -0.541   5.234
   12   2HG1  VAL   2          2HG1      VAL   2  -1.514  -2.055   5.036
   13   3HG1  VAL   2          3HG1      VAL   2  -3.258  -2.010   4.784
   14   1HG2  VAL   2          1HG2      VAL   2  -3.649  -2.504   2.597
   15   2HG2  VAL   2          2HG2      VAL   2  -2.010  -3.138   2.443
   16   3HG2  VAL   2          3HG2      VAL   2  -2.609  -1.952   1.283
   17    H    SER   3           H        SER   3  -4.083   0.831   4.908
   18    HA   SER   3           HA       SER   3  -6.474  -0.580   4.489
   19   1HB   SER   3          2HB       SER   3  -5.555   1.552   6.343
   20   2HB   SER   3          1HB       SER   3  -7.298   1.361   6.157
   21    HG   SER   3           HG       SER   3  -6.866  -0.947   6.573
   22    H    ALA   4           H        ALA   4  -5.431   2.604   3.493
   23    HA   ALA   4           HA       ALA   4  -8.054   3.029   2.217
   24   1HB   ALA   4          1HB       ALA   4  -7.946   5.270   2.635
   25   2HB   ALA   4          2HB       ALA   4  -6.182   5.302   2.624
   26   3HB   ALA   4          3HB       ALA   4  -7.045   4.669   4.026
   27    H    CYS   5           H        CYS   5  -5.757   1.502   1.173
   28    HA   CYS   5           HA       CYS   5  -4.466   3.067  -0.829
   29   1HB   CYS   5          2HB       CYS   5  -3.367   1.085  -0.052
   30   2HB   CYS   5          1HB       CYS   5  -4.754   0.084  -0.449
   31    H    ALA   6           H        ALA   6  -4.828   3.124  -3.045
   32    HA   ALA   6           HA       ALA   6  -7.558   2.382  -3.856
   33   1HB   ALA   6          1HB       ALA   6  -7.648   4.235  -5.231
   34   2HB   ALA   6          2HB       ALA   6  -5.894   4.350  -5.367
   35   3HB   ALA   6          3HB       ALA   6  -6.696   4.838  -3.875
   36    H    LEU   7           H        LEU   7  -4.202   1.891  -4.486
   37    HA   LEU   7           HA       LEU   7  -4.328   1.033  -7.162
   38   1HB   LEU   7          2HB       LEU   7  -2.421   0.661  -4.905
   39   2HB   LEU   7          1HB       LEU   7  -2.251  -0.381  -6.305
   40    HG   LEU   7           HG       LEU   7  -2.272   2.629  -6.479
   41   1HD1  LEU   7          1HD1      LEU   7  -0.316   1.173  -5.245
   42   2HD1  LEU   7          2HD1      LEU   7  -0.084   2.736  -6.030
   43   3HD1  LEU   7          3HD1      LEU   7   0.266   1.247  -6.909
   44   1HD2  LEU   7          1HD2      LEU   7  -2.850   1.168  -8.491
   45   2HD2  LEU   7          2HD2      LEU   7  -1.164   0.655  -8.449
   46   3HD2  LEU   7          3HD2      LEU   7  -1.562   2.355  -8.694
   47    HA   PRO   8           HA       PRO   8  -6.329  -2.898  -6.621
   48   1HB   PRO   8          2HB       PRO   8  -5.975  -3.904  -9.081
   49   2HB   PRO   8          1HB       PRO   8  -7.050  -2.531  -8.790
   50   1HG   PRO   8          2HG       PRO   8  -4.251  -2.555  -9.849
   51   2HG   PRO   8          1HG       PRO   8  -5.646  -1.604 -10.392
   52   1HD   PRO   8          2HD       PRO   8  -3.671  -0.635  -8.749
   53   2HD   PRO   8          1HD       PRO   8  -5.328  -0.003  -8.788
   54    H    LYS   9           H        LYS   9  -5.684  -4.791  -5.787
   55    HA   LYS   9           HA       LYS   9  -4.348  -6.506  -5.111
   56   1HB   LYS   9          2HB       LYS   9  -3.382  -6.100  -7.934
   57   2HB   LYS   9          1HB       LYS   9  -2.726  -7.365  -6.903
   58   1HG   LYS   9          2HG       LYS   9  -5.369  -7.826  -6.616
   59   2HG   LYS   9          1HG       LYS   9  -5.327  -7.183  -8.259
   60   1HD   LYS   9          2HD       LYS   9  -4.863  -9.310  -8.831
   61   2HD   LYS   9          1HD       LYS   9  -3.225  -8.899  -8.316
   62   1HE   LYS   9          2HE       LYS   9  -5.279 -10.000  -6.418
   63   2HE   LYS   9          1HE       LYS   9  -4.233 -11.043  -7.381
   64   1HZ   LYS   9          1HZ       LYS   9  -3.495 -10.415  -5.029
   65   2HZ   LYS   9          2HZ       LYS   9  -3.092  -8.911  -5.691
   66   3HZ   LYS   9          3HZ       LYS   9  -2.350 -10.316  -6.272
   67    H    CYS  10           H        CYS  10  -3.530  -3.774  -4.522
   68    HA   CYS  10           HA       CYS  10  -0.735  -3.466  -4.811
   69   1HB   CYS  10          2HB       CYS  10  -2.687  -1.804  -4.049
   70   2HB   CYS  10          1HB       CYS  10  -2.101  -2.270  -2.456
   71    H    ALA  11           H        ALA  11  -2.706  -4.572  -2.060
   72    HA   ALA  11           HA       ALA  11  -0.621  -5.095  -0.286
   73   1HB   ALA  11          1HB       ALA  11  -2.183  -6.461   0.937
   74   2HB   ALA  11          2HB       ALA  11  -3.225  -6.602  -0.479
   75   3HB   ALA  11          3HB       ALA  11  -3.022  -5.040   0.314
   76    H    ALA  12           H        ALA  12   1.052  -6.409  -0.526
   77    HA   ALA  12           HA       ALA  12   0.858  -8.708  -2.312
   78   1HB   ALA  12          1HB       ALA  12   3.169  -8.685  -2.451
   79   2HB   ALA  12          2HB       ALA  12   3.358  -7.905  -0.880
   80   3HB   ALA  12          3HB       ALA  12   2.783  -6.975  -2.262
   81    H    ALA  13           H        ALA  13   1.120  -7.946   1.074
   82    HA   ALA  13           HA       ALA  13   0.391 -10.561   1.863
   83   1HB   ALA  13          1HB       ALA  13   2.487 -11.424   1.603
   84   2HB   ALA  13          2HB       ALA  13   2.637 -10.794   3.244
   85   3HB   ALA  13          3HB       ALA  13   3.281  -9.874   1.883
   86    H    ALA  14           H        ALA  14  -0.431  -7.857   2.332
   87    HA   ALA  14           HA       ALA  14  -1.208  -6.550   4.024
   88   1HB   ALA  14          1HB       ALA  14  -0.459  -8.863   5.809
   89   2HB   ALA  14          2HB       ALA  14  -1.975  -8.720   4.919
   90   3HB   ALA  14          3HB       ALA  14  -1.584  -7.558   6.186
   91    H    ASN  15           H        ASN  15   1.067  -5.611   3.274
   92    HA   ASN  15           HA       ASN  15   2.475  -4.953   5.765
   93   1HB   ASN  15          2HB       ASN  15   3.627  -6.650   3.997
   94   2HB   ASN  15          1HB       ASN  15   4.159  -5.109   3.330
   95   1HD2  ASN  15          1HD2      ASN  15   4.969  -3.552   5.087
   96   2HD2  ASN  15          2HD2      ASN  15   6.060  -4.237   6.238
   97    H    VAL  16           H        VAL  16   1.668  -3.006   5.967
   98    HA   VAL  16           HA       VAL  16   0.987  -1.102   4.153
   99    HB   VAL  16           HB       VAL  16   2.003  -1.059   6.938
  100   1HG1  VAL  16          1HG1      VAL  16   1.751   1.425   5.240
  101   2HG1  VAL  16          2HG1      VAL  16   3.158   0.879   6.152
  102   3HG1  VAL  16          3HG1      VAL  16   1.721   1.446   7.004
  103   1HG2  VAL  16          1HG2      VAL  16  -0.171   0.077   7.311
  104   2HG2  VAL  16          2HG2      VAL  16  -0.322  -1.507   6.548
  105   3HG2  VAL  16          3HG2      VAL  16  -0.489  -0.042   5.580
  106    H    ALA  17           H        ALA  17   4.238  -1.667   5.481
  107    HA   ALA  17           HA       ALA  17   5.566   0.475   4.321
  108   1HB   ALA  17          1HB       ALA  17   7.026  -2.096   4.393
  109   2HB   ALA  17          2HB       ALA  17   6.338  -1.534   5.916
  110   3HB   ALA  17          3HB       ALA  17   7.476  -0.516   5.034
  111    H    ALA  18           H        ALA  18   5.099  -2.800   3.006
  112    HA   ALA  18           HA       ALA  18   6.405  -2.367   0.560
  113   1HB   ALA  18          1HB       ALA  18   5.800  -4.592   1.456
  114   2HB   ALA  18          2HB       ALA  18   5.291  -4.362  -0.216
  115   3HB   ALA  18          3HB       ALA  18   4.109  -4.251   1.088
  116    H    HIS  19           H        HIS  19   3.323  -1.349   1.717
  117    HA   HIS  19           HA       HIS  19   2.291  -0.808  -0.938
  118   1HB   HIS  19          2HB       HIS  19   0.485  -1.433   0.304
  119   2HB   HIS  19          1HB       HIS  19   1.181  -0.844   1.809
  120    HD2  HIS  19           2HD      HIS  19   0.252   1.513   2.675
  121    HE1  HIS  19           1HE      HIS  19  -1.705   2.664  -0.888
  122    HE2  HIS  19           2HE      HIS  19  -1.137   3.346   1.481
  123    H    MET  20           H        MET  20   2.700   1.197   2.001
  124    HA   MET  20           HA       MET  20   2.365   3.665   0.841
  125   1HB   MET  20          2HB       MET  20   2.750   3.013   3.314
  126   2HB   MET  20          1HB       MET  20   4.456   3.244   2.958
  127   1HG   MET  20          2HG       MET  20   4.006   5.329   3.668
  128   2HG   MET  20          1HG       MET  20   3.518   5.541   1.989
  129   1HE   MET  20          1HE       MET  20   1.790   5.688   5.816
  130   2HE   MET  20          2HE       MET  20   1.396   7.224   5.046
  131   3HE   MET  20          3HE       MET  20   3.049   6.611   4.998
  132    H    THR  21           H        THR  21   5.074   1.539   0.487
  133    HA   THR  21           HA       THR  21   7.145   3.263  -0.108
  134    HB   THR  21           HB       THR  21   7.356   0.808   0.075
  135    HG1  THR  21           1HG      THR  21   8.326   2.001  -2.302
  136   1HG2  THR  21          1HG2      THR  21   6.652   0.429  -2.769
  137   2HG2  THR  21          2HG2      THR  21   5.330   0.510  -1.606
  138   3HG2  THR  21          3HG2      THR  21   6.596  -0.705  -1.421
  139    H    HIS  22           H        HIS  22   4.292   2.631  -1.976
  140    HA   HIS  22           HA       HIS  22   5.382   4.328  -4.131
  141   1HB   HIS  22          2HB       HIS  22   3.640   3.010  -5.577
  142   2HB   HIS  22          1HB       HIS  22   5.221   2.308  -5.255
  143    HD1  HIS  22           1HD      HIS  22   5.040  -0.075  -4.752
  144    HD2  HIS  22           2HD      HIS  22   1.738   2.014  -3.296
  145    HE1  HIS  22           1HE      HIS  22   3.584  -1.794  -3.645
  146    HE2  HIS  22           2HE      HIS  22   1.720  -0.471  -2.603
  147    H    CYS  23           H        CYS  23   2.627   3.340  -2.244
  148    HA   CYS  23           HA       CYS  23   0.850   5.261  -3.439
  149   1HB   CYS  23          2HB       CYS  23   0.695   3.142  -1.351
  150   2HB   CYS  23          1HB       CYS  23  -0.542   4.383  -1.376
  151    H    ALA  24           H        ALA  24   1.898   7.245  -2.988
  152    HA   ALA  24           HA       ALA  24   1.292   8.289  -0.352
  153   1HB   ALA  24          1HB       ALA  24   3.696   9.324  -0.349
  154   2HB   ALA  24          2HB       ALA  24   4.080   7.919  -1.345
  155   3HB   ALA  24          3HB       ALA  24   3.422   7.698   0.276
  156    H    LYS  25           H        LYS  25   0.231   8.780  -2.945
  157    HA   LYS  25           HA       LYS  25   0.961  11.614  -3.245
  158   1HB   LYS  25          2HB       LYS  25   1.854  10.186  -5.114
  159   2HB   LYS  25          1HB       LYS  25   0.190   9.802  -5.535
  160   1HG   LYS  25          2HG       LYS  25  -0.166  12.315  -5.738
  161   2HG   LYS  25          1HG       LYS  25   1.594  12.446  -5.701
  162   1HD   LYS  25          2HD       LYS  25   1.407  12.222  -7.936
  163   2HD   LYS  25          1HD       LYS  25   1.273  10.504  -7.558
  164   1HE   LYS  25          2HE       LYS  25  -1.199  12.159  -7.525
  165   2HE   LYS  25          1HE       LYS  25  -0.499  11.734  -9.086
  166   1HZ   LYS  25          1HZ       LYS  25  -1.425   9.875  -6.969
  167   2HZ   LYS  25          2HZ       LYS  25  -0.544   9.379  -8.325
  168   3HZ   LYS  25          3HZ       LYS  25  -2.073  10.073  -8.520
  Start of MODEL    5
    1   1H    ALA   1          1HT       ALA   1  -2.954   5.136   3.213
    2   2H    ALA   1          2HT       ALA   1  -1.304   4.943   2.780
    3   3H    ALA   1          3HT       ALA   1  -1.723   5.698   4.264
    4    HA   ALA   1           HA       ALA   1  -0.933   3.375   4.405
    5   1HB   ALA   1          1HB       ALA   1  -3.392   4.529   5.575
    6   2HB   ALA   1          2HB       ALA   1  -1.911   3.973   6.358
    7   3HB   ALA   1          3HB       ALA   1  -3.121   2.804   5.828
    8    H    VAL   2           H        VAL   2  -1.523   1.162   4.239
    9    HA   VAL   2           HA       VAL   2  -2.603   0.412   1.769
   10    HB   VAL   2           HB       VAL   2  -1.039  -1.003   3.034
   11   1HG1  VAL   2          1HG1      VAL   2  -2.381  -0.513   5.231
   12   2HG1  VAL   2          2HG1      VAL   2  -1.511  -2.034   5.030
   13   3HG1  VAL   2          3HG1      VAL   2  -3.255  -1.974   4.775
   14   1HG2  VAL   2          1HG2      VAL   2  -2.604  -1.914   1.277
   15   2HG2  VAL   2          2HG2      VAL   2  -3.615  -2.499   2.599
   16   3HG2  VAL   2          3HG2      VAL   2  -1.966  -3.097   2.419
   17    H    SER   3           H        SER   3  -4.090   0.843   4.898
   18    HA   SER   3           HA       SER   3  -6.469  -0.583   4.468
   19   1HB   SER   3          2HB       SER   3  -5.575   1.555   6.326
   20   2HB   SER   3          1HB       SER   3  -7.316   1.350   6.134
   21    HG   SER   3           HG       SER   3  -5.578  -0.817   6.672
   22    H    ALA   4           H        ALA   4  -5.454   2.621   3.498
   23    HA   ALA   4           HA       ALA   4  -8.073   3.029   2.210
   24   1HB   ALA   4          1HB       ALA   4  -7.937   4.850   3.582
   25   2HB   ALA   4          2HB       ALA   4  -7.132   5.493   2.151
   26   3HB   ALA   4          3HB       ALA   4  -6.176   4.909   3.513
   27    H    CYS   5           H        CYS   5  -5.758   1.510   1.173
   28    HA   CYS   5           HA       CYS   5  -4.483   3.075  -0.839
   29   1HB   CYS   5          2HB       CYS   5  -3.371   1.103  -0.053
   30   2HB   CYS   5          1HB       CYS   5  -4.751   0.091  -0.450
   31    H    ALA   6           H        ALA   6  -4.860   3.142  -3.046
   32    HA   ALA   6           HA       ALA   6  -7.582   2.371  -3.852
   33   1HB   ALA   6          1HB       ALA   6  -7.408   4.122  -5.558
   34   2HB   ALA   6          2HB       ALA   6  -5.781   4.504  -4.995
   35   3HB   ALA   6          3HB       ALA   6  -7.166   4.767  -3.935
   36    H    LEU   7           H        LEU   7  -4.224   1.896  -4.485
   37    HA   LEU   7           HA       LEU   7  -4.346   1.030  -7.157
   38   1HB   LEU   7          2HB       LEU   7  -2.438   0.672  -4.900
   39   2HB   LEU   7          1HB       LEU   7  -2.264  -0.372  -6.297
   40    HG   LEU   7           HG       LEU   7  -2.299   2.637  -6.478
   41   1HD1  LEU   7          1HD1      LEU   7   0.248   1.273  -6.908
   42   2HD1  LEU   7          2HD1      LEU   7  -0.334   1.188  -5.244
   43   3HD1  LEU   7          3HD1      LEU   7  -0.114   2.755  -6.024
   44   1HD2  LEU   7          1HD2      LEU   7  -1.586   2.360  -8.694
   45   2HD2  LEU   7          2HD2      LEU   7  -2.870   1.169  -8.487
   46   3HD2  LEU   7          3HD2      LEU   7  -1.181   0.661  -8.444
   47    HA   PRO   8           HA       PRO   8  -6.340  -2.905  -6.601
   48   1HB   PRO   8          2HB       PRO   8  -6.001  -3.908  -9.065
   49   2HB   PRO   8          1HB       PRO   8  -7.079  -2.540  -8.764
   50   1HG   PRO   8          2HG       PRO   8  -4.290  -2.549  -9.845
   51   2HG   PRO   8          1HG       PRO   8  -5.693  -1.606 -10.378
   52   1HD   PRO   8          2HD       PRO   8  -3.712  -0.624  -8.751
   53   2HD   PRO   8          1HD       PRO   8  -5.375  -0.005  -8.773
   54    H    LYS   9           H        LYS   9  -5.680  -4.796  -5.773
   55    HA   LYS   9           HA       LYS   9  -4.334  -6.507  -5.111
   56   1HB   LYS   9          2HB       LYS   9  -3.623  -6.109  -7.978
   57   2HB   LYS   9          1HB       LYS   9  -2.598  -7.167  -7.017
   58   1HG   LYS   9          2HG       LYS   9  -5.508  -7.619  -6.813
   59   2HG   LYS   9          1HG       LYS   9  -4.747  -8.020  -8.354
   60   1HD   LYS   9          2HD       LYS   9  -4.344  -9.996  -7.345
   61   2HD   LYS   9          1HD       LYS   9  -2.983  -9.126  -6.633
   62   1HE   LYS   9          2HE       LYS   9  -5.546  -8.856  -5.211
   63   2HE   LYS   9          1HE       LYS   9  -4.847 -10.475  -5.207
   64   1HZ   LYS   9          1HZ       LYS   9  -3.914  -8.050  -3.910
   65   2HZ   LYS   9          2HZ       LYS   9  -2.710  -9.014  -4.604
   66   3HZ   LYS   9          3HZ       LYS   9  -3.747  -9.666  -3.438
   67    H    CYS  10           H        CYS  10  -3.525  -3.772  -4.520
   68    HA   CYS  10           HA       CYS  10  -0.733  -3.452  -4.824
   69   1HB   CYS  10          2HB       CYS  10  -2.683  -1.795  -4.056
   70   2HB   CYS  10          1HB       CYS  10  -2.099  -2.262  -2.463
   71    H    ALA  11           H        ALA  11  -2.683  -4.553  -2.055
   72    HA   ALA  11           HA       ALA  11  -0.583  -5.075  -0.299
   73   1HB   ALA  11          1HB       ALA  11  -3.186  -6.589  -0.464
   74   2HB   ALA  11          2HB       ALA  11  -2.984  -5.019   0.315
   75   3HB   ALA  11          3HB       ALA  11  -2.135  -6.431   0.943
   76    H    ALA  12           H        ALA  12   1.071  -6.417  -0.499
   77    HA   ALA  12           HA       ALA  12   0.877  -8.704  -2.304
   78   1HB   ALA  12          1HB       ALA  12   3.391  -7.995  -0.870
   79   2HB   ALA  12          2HB       ALA  12   2.820  -6.947  -2.168
   80   3HB   ALA  12          3HB       ALA  12   3.163  -8.646  -2.494
   81    H    ALA  13           H        ALA  13   1.127  -7.953   1.085
   82    HA   ALA  13           HA       ALA  13   0.382 -10.565   1.864
   83   1HB   ALA  13          1HB       ALA  13   2.590 -10.875   3.238
   84   2HB   ALA  13          2HB       ALA  13   3.279  -9.873   1.961
   85   3HB   ALA  13          3HB       ALA  13   2.498 -11.403   1.557
   86    H    ALA  14           H        ALA  14  -0.425  -7.857   2.339
   87    HA   ALA  14           HA       ALA  14  -1.207  -6.556   4.033
   88   1HB   ALA  14          1HB       ALA  14  -0.437  -8.782   5.907
   89   2HB   ALA  14          2HB       ALA  14  -1.888  -8.818   4.906
   90   3HB   ALA  14          3HB       ALA  14  -1.690  -7.561   6.127
   91    H    ASN  15           H        ASN  15   1.069  -5.619   3.283
   92    HA   ASN  15           HA       ASN  15   2.476  -4.958   5.774
   93   1HB   ASN  15          2HB       ASN  15   3.710  -6.696   4.293
   94   2HB   ASN  15          1HB       ASN  15   4.011  -5.340   3.211
   95   1HD2  ASN  15          1HD2      ASN  15   5.100  -7.030   5.874
   96   2HD2  ASN  15          2HD2      ASN  15   6.275  -5.899   6.443
   97    H    VAL  16           H        VAL  16   1.675  -3.010   5.969
   98    HA   VAL  16           HA       VAL  16   0.996  -1.109   4.150
   99    HB   VAL  16           HB       VAL  16   2.017  -1.059   6.935
  100   1HG1  VAL  16          1HG1      VAL  16   3.144   0.888   6.387
  101   2HG1  VAL  16          2HG1      VAL  16   1.559   1.517   6.839
  102   3HG1  VAL  16          3HG1      VAL  16   1.983   1.335   5.137
  103   1HG2  VAL  16          1HG2      VAL  16  -0.312  -1.502   6.539
  104   2HG2  VAL  16          2HG2      VAL  16  -0.473  -0.031   5.580
  105   3HG2  VAL  16          3HG2      VAL  16  -0.152   0.075   7.310
  106    H    ALA  17           H        ALA  17   4.249  -1.683   5.473
  107    HA   ALA  17           HA       ALA  17   5.585   0.453   4.311
  108   1HB   ALA  17          1HB       ALA  17   6.986  -2.164   4.413
  109   2HB   ALA  17          2HB       ALA  17   6.371  -1.496   5.925
  110   3HB   ALA  17          3HB       ALA  17   7.518  -0.573   4.955
  111    H    ALA  18           H        ALA  18   5.103  -2.818   2.992
  112    HA   ALA  18           HA       ALA  18   6.403  -2.384   0.543
  113   1HB   ALA  18          1HB       ALA  18   4.070  -4.219   0.621
  114   2HB   ALA  18          2HB       ALA  18   5.423  -4.562   1.699
  115   3HB   ALA  18          3HB       ALA  18   5.685  -4.467  -0.042
  116    H    HIS  19           H        HIS  19   3.326  -1.361   1.711
  117    HA   HIS  19           HA       HIS  19   2.290  -0.811  -0.942
  118   1HB   HIS  19          2HB       HIS  19   0.485  -1.437   0.302
  119   2HB   HIS  19          1HB       HIS  19   1.185  -0.853   1.807
  120    HD2  HIS  19           2HD      HIS  19   0.257   1.501   2.681
  121    HE1  HIS  19           1HE      HIS  19  -1.698   2.668  -0.879
  122    HE2  HIS  19           2HE      HIS  19  -1.129   3.340   1.494
  123    H    MET  20           H        MET  20   2.711   1.183   2.003
  124    HA   MET  20           HA       MET  20   2.376   3.656   0.852
  125   1HB   MET  20          2HB       MET  20   2.907   2.858   3.337
  126   2HB   MET  20          1HB       MET  20   4.520   3.405   2.903
  127   1HG   MET  20          2HG       MET  20   3.241   5.547   2.105
  128   2HG   MET  20          1HG       MET  20   2.011   4.966   3.226
  129   1HE   MET  20          1HE       MET  20   2.939   7.401   5.595
  130   2HE   MET  20          2HE       MET  20   2.233   7.221   3.989
  131   3HE   MET  20          3HE       MET  20   3.794   8.020   4.182
  132    H    THR  21           H        THR  21   5.081   1.525   0.486
  133    HA   THR  21           HA       THR  21   7.155   3.244  -0.107
  134    HB   THR  21           HB       THR  21   7.361   0.789   0.066
  135    HG1  THR  21           1HG      THR  21   9.104   1.665  -0.875
  136   1HG2  THR  21          1HG2      THR  21   6.634   0.433  -2.779
  137   2HG2  THR  21          2HG2      THR  21   5.326   0.495  -1.597
  138   3HG2  THR  21          3HG2      THR  21   6.598  -0.716  -1.441
  139    H    HIS  22           H        HIS  22   4.299   2.628  -1.973
  140    HA   HIS  22           HA       HIS  22   5.388   4.335  -4.120
  141   1HB   HIS  22          2HB       HIS  22   3.641   3.027  -5.570
  142   2HB   HIS  22          1HB       HIS  22   5.222   2.323  -5.256
  143    HD1  HIS  22           1HD      HIS  22   5.040  -0.064  -4.766
  144    HD2  HIS  22           2HD      HIS  22   1.744   2.019  -3.289
  145    HE1  HIS  22           1HE      HIS  22   3.586  -1.789  -3.665
  146    HE2  HIS  22           2HE      HIS  22   1.727  -0.469  -2.610
  147    H    CYS  23           H        CYS  23   2.634   3.341  -2.235
  148    HA   CYS  23           HA       CYS  23   0.858   5.271  -3.416
  149   1HB   CYS  23          2HB       CYS  23   0.704   3.142  -1.340
  150   2HB   CYS  23          1HB       CYS  23  -0.533   4.384  -1.359
  151    H    ALA  24           H        ALA  24   2.794   6.832  -2.660
  152    HA   ALA  24           HA       ALA  24   2.041   7.923  -0.028
  153   1HB   ALA  24          1HB       ALA  24   4.369   9.115  -0.387
  154   2HB   ALA  24          2HB       ALA  24   4.652   7.726  -1.435
  155   3HB   ALA  24          3HB       ALA  24   4.262   7.481   0.268
  156    H    LYS  25           H        LYS  25   0.565   8.476  -2.399
  157    HA   LYS  25           HA       LYS  25   1.375  11.092  -3.332
  158   1HB   LYS  25          2HB       LYS  25  -0.783   9.153  -3.999
  159   2HB   LYS  25          1HB       LYS  25  -1.073  10.848  -4.364
  160   1HG   LYS  25          2HG       LYS  25   0.776  10.946  -5.833
  161   2HG   LYS  25          1HG       LYS  25   1.385   9.385  -5.280
  162   1HD   LYS  25          2HD       LYS  25  -0.033   8.222  -6.595
  163   2HD   LYS  25          1HD       LYS  25  -1.357   9.363  -6.351
  164   1HE   LYS  25          2HE       LYS  25  -0.572  10.804  -8.023
  165   2HE   LYS  25          1HE       LYS  25   1.028  10.064  -8.031
  166   1HZ   LYS  25          1HZ       LYS  25  -1.195   8.319  -8.712
  167   2HZ   LYS  25          2HZ       LYS  25   0.354   8.411  -9.384
  168   3HZ   LYS  25          3HZ       LYS  25  -0.833   9.527  -9.839
  Start of MODEL    6
    1   1H    ALA   1          1HT       ALA   1  -1.985   5.090   3.133
    2   2H    ALA   1          2HT       ALA   1  -0.482   4.363   3.528
    3   3H    ALA   1          3HT       ALA   1  -1.177   5.529   4.579
    4    HA   ALA   1           HA       ALA   1  -1.367   3.168   5.257
    5   1HB   ALA   1          1HB       ALA   1  -3.509   5.202   5.102
    6   2HB   ALA   1          2HB       ALA   1  -2.749   4.456   6.509
    7   3HB   ALA   1          3HB       ALA   1  -3.982   3.578   5.603
    8    H    VAL   2           H        VAL   2  -1.551   1.216   4.402
    9    HA   VAL   2           HA       VAL   2  -2.535   0.665   1.844
   10    HB   VAL   2           HB       VAL   2  -0.974  -0.817   3.035
   11   1HG1  VAL   2          1HG1      VAL   2  -3.318  -1.804   4.639
   12   2HG1  VAL   2          2HG1      VAL   2  -2.184  -0.598   5.247
   13   3HG1  VAL   2          3HG1      VAL   2  -1.612  -2.213   4.828
   14   1HG2  VAL   2          1HG2      VAL   2  -1.766  -2.831   2.135
   15   2HG2  VAL   2          2HG2      VAL   2  -2.526  -1.579   1.154
   16   3HG2  VAL   2          3HG2      VAL   2  -3.451  -2.395   2.414
   17    H    SER   3           H        SER   3  -4.144   0.804   4.934
   18    HA   SER   3           HA       SER   3  -6.452  -0.664   4.350
   19   1HB   SER   3          2HB       SER   3  -5.597   0.482   6.576
   20   2HB   SER   3          1HB       SER   3  -6.648   1.794   6.041
   21    HG   SER   3           HG       SER   3  -8.382   0.385   6.065
   22    H    ALA   4           H        ALA   4  -5.510   2.588   3.492
   23    HA   ALA   4           HA       ALA   4  -8.116   2.975   2.172
   24   1HB   ALA   4          1HB       ALA   4  -6.188   4.897   3.405
   25   2HB   ALA   4          2HB       ALA   4  -7.931   4.757   3.631
   26   3HB   ALA   4          3HB       ALA   4  -7.288   5.437   2.136
   27    H    CYS   5           H        CYS   5  -5.755   1.486   1.153
   28    HA   CYS   5           HA       CYS   5  -4.490   3.060  -0.850
   29   1HB   CYS   5          2HB       CYS   5  -3.375   1.085  -0.079
   30   2HB   CYS   5          1HB       CYS   5  -4.755   0.074  -0.477
   31    H    ALA   6           H        ALA   6  -4.842   3.114  -3.068
   32    HA   ALA   6           HA       ALA   6  -7.567   2.365  -3.890
   33   1HB   ALA   6          1HB       ALA   6  -7.651   4.212  -5.275
   34   2HB   ALA   6          2HB       ALA   6  -5.896   4.339  -5.388
   35   3HB   ALA   6          3HB       ALA   6  -6.722   4.821  -3.906
   36    H    LEU   7           H        LEU   7  -4.205   1.891  -4.515
   37    HA   LEU   7           HA       LEU   7  -4.320   1.027  -7.187
   38   1HB   LEU   7          2HB       LEU   7  -2.419   0.664  -4.925
   39   2HB   LEU   7          1HB       LEU   7  -2.243  -0.382  -6.320
   40    HG   LEU   7           HG       LEU   7  -2.269   2.627  -6.502
   41   1HD1  LEU   7          1HD1      LEU   7   0.272   1.250  -6.930
   42   2HD1  LEU   7          2HD1      LEU   7  -0.311   1.172  -5.267
   43   3HD1  LEU   7          3HD1      LEU   7  -0.082   2.736  -6.049
   44   1HD2  LEU   7          1HD2      LEU   7  -2.846   1.169  -8.513
   45   2HD2  LEU   7          2HD2      LEU   7  -1.163   0.646  -8.469
   46   3HD2  LEU   7          3HD2      LEU   7  -1.551   2.349  -8.717
   47    HA   PRO   8           HA       PRO   8  -6.317  -2.907  -6.648
   48   1HB   PRO   8          2HB       PRO   8  -5.966  -3.908  -9.111
   49   2HB   PRO   8          1HB       PRO   8  -7.044  -2.539  -8.814
   50   1HG   PRO   8          2HG       PRO   8  -4.247  -2.552  -9.879
   51   2HG   PRO   8          1HG       PRO   8  -5.646  -1.606 -10.419
   52   1HD   PRO   8          2HD       PRO   8  -3.671  -0.632  -8.778
   53   2HD   PRO   8          1HD       PRO   8  -5.331  -0.006  -8.812
   54    H    LYS   9           H        LYS   9  -5.664  -4.800  -5.818
   55    HA   LYS   9           HA       LYS   9  -4.325  -6.515  -5.153
   56   1HB   LYS   9          2HB       LYS   9  -3.522  -6.099  -8.004
   57   2HB   LYS   9          1HB       LYS   9  -2.605  -7.228  -7.015
   58   1HG   LYS   9          2HG       LYS   9  -5.536  -7.524  -6.932
   59   2HG   LYS   9          1HG       LYS   9  -4.752  -7.917  -8.464
   60   1HD   LYS   9          2HD       LYS   9  -4.469  -9.942  -7.520
   61   2HD   LYS   9          1HD       LYS   9  -3.104  -9.165  -6.716
   62   1HE   LYS   9          2HE       LYS   9  -5.718  -8.832  -5.400
   63   2HE   LYS   9          1HE       LYS   9  -5.083 -10.477  -5.424
   64   1HZ   LYS   9          1HZ       LYS   9  -4.114  -8.138  -4.002
   65   2HZ   LYS   9          2HZ       LYS   9  -2.920  -9.131  -4.671
   66   3HZ   LYS   9          3HZ       LYS   9  -4.039  -9.774  -3.577
   67    H    CYS  10           H        CYS  10  -3.519  -3.785  -4.544
   68    HA   CYS  10           HA       CYS  10  -0.724  -3.467  -4.826
   69   1HB   CYS  10          2HB       CYS  10  -2.685  -1.813  -4.065
   70   2HB   CYS  10          1HB       CYS  10  -2.096  -2.276  -2.473
   71    H    ALA  11           H        ALA  11  -2.702  -4.572  -2.079
   72    HA   ALA  11           HA       ALA  11  -0.621  -5.098  -0.303
   73   1HB   ALA  11          1HB       ALA  11  -2.185  -6.457   0.921
   74   2HB   ALA  11          2HB       ALA  11  -3.225  -6.604  -0.496
   75   3HB   ALA  11          3HB       ALA  11  -3.024  -5.038   0.292
   76    H    ALA  12           H        ALA  12   1.038  -6.435  -0.500
   77    HA   ALA  12           HA       ALA  12   0.844  -8.733  -2.293
   78   1HB   ALA  12          1HB       ALA  12   3.399  -8.800  -1.553
   79   2HB   ALA  12          2HB       ALA  12   3.064  -7.106  -1.196
   80   3HB   ALA  12          3HB       ALA  12   2.811  -7.729  -2.826
   81    H    ALA  13           H        ALA  13   1.114  -7.952   1.087
   82    HA   ALA  13           HA       ALA  13   0.390 -10.563   1.891
   83   1HB   ALA  13          1HB       ALA  13   2.373 -11.361   2.908
   84   2HB   ALA  13          2HB       ALA  13   3.213  -9.835   2.632
   85   3HB   ALA  13          3HB       ALA  13   2.815 -10.882   1.269
   86    H    ALA  14           H        ALA  14  -0.437  -7.858   2.347
   87    HA   ALA  14           HA       ALA  14  -1.213  -6.541   4.031
   88   1HB   ALA  14          1HB       ALA  14  -1.940  -7.584   5.928
   89   2HB   ALA  14          2HB       ALA  14  -0.453  -8.513   6.121
   90   3HB   ALA  14          3HB       ALA  14  -1.644  -8.996   4.914
   91    H    ASN  15           H        ASN  15   1.063  -5.606   3.279
   92    HA   ASN  15           HA       ASN  15   2.471  -4.939   5.768
   93   1HB   ASN  15          2HB       ASN  15   3.628  -6.648   4.030
   94   2HB   ASN  15          1HB       ASN  15   4.142  -5.120   3.321
   95   1HD2  ASN  15          1HD2      ASN  15   6.247  -5.127   3.845
   96   2HD2  ASN  15          2HD2      ASN  15   6.855  -5.155   5.463
   97    H    VAL  16           H        VAL  16   1.665  -2.990   5.962
   98    HA   VAL  16           HA       VAL  16   0.982  -1.093   4.143
   99    HB   VAL  16           HB       VAL  16   2.005  -1.040   6.925
  100   1HG1  VAL  16          1HG1      VAL  16   1.920   1.371   5.140
  101   2HG1  VAL  16          2HG1      VAL  16   3.139   0.905   6.327
  102   3HG1  VAL  16          3HG1      VAL  16   1.576   1.523   6.863
  103   1HG2  VAL  16          1HG2      VAL  16  -0.450   0.251   5.763
  104   2HG2  VAL  16          2HG2      VAL  16  -0.146  -0.211   7.438
  105   3HG2  VAL  16          3HG2      VAL  16  -0.384  -1.454   6.209
  106    H    ALA  17           H        ALA  17   4.236  -1.652   5.469
  107    HA   ALA  17           HA       ALA  17   5.564   0.483   4.299
  108   1HB   ALA  17          1HB       ALA  17   6.876  -2.200   4.506
  109   2HB   ALA  17          2HB       ALA  17   6.407  -1.317   5.960
  110   3HB   ALA  17          3HB       ALA  17   7.548  -0.600   4.820
  111    H    ALA  18           H        ALA  18   5.088  -2.794   2.994
  112    HA   ALA  18           HA       ALA  18   6.391  -2.370   0.545
  113   1HB   ALA  18          1HB       ALA  18   4.066  -4.235   0.972
  114   2HB   ALA  18          2HB       ALA  18   5.703  -4.583   1.529
  115   3HB   ALA  18          3HB       ALA  18   5.380  -4.388  -0.195
  116    H    HIS  19           H        HIS  19   3.311  -1.347   1.704
  117    HA   HIS  19           HA       HIS  19   2.278  -0.809  -0.952
  118   1HB   HIS  19          2HB       HIS  19   0.472  -1.431   0.294
  119   2HB   HIS  19          1HB       HIS  19   1.170  -0.837   1.796
  120    HD2  HIS  19           2HD      HIS  19   0.237   1.520   2.656
  121    HE1  HIS  19           1HE      HIS  19  -1.710   2.666  -0.914
  122    HE2  HIS  19           2HE      HIS  19  -1.431   3.170   1.558
  123    H    MET  20           H        MET  20   2.695   1.200   1.983
  124    HA   MET  20           HA       MET  20   2.360   3.665   0.817
  125   1HB   MET  20          2HB       MET  20   2.910   2.863   3.310
  126   2HB   MET  20          1HB       MET  20   4.503   3.458   2.865
  127   1HG   MET  20          2HG       MET  20   3.716   5.640   2.531
  128   2HG   MET  20          1HG       MET  20   2.033   5.116   2.500
  129   1HE   MET  20          1HE       MET  20   1.565   7.188   5.292
  130   2HE   MET  20          2HE       MET  20   2.307   7.354   3.701
  131   3HE   MET  20          3HE       MET  20   3.278   7.584   5.155
  132    H    THR  21           H        THR  21   5.065   1.535   0.466
  133    HA   THR  21           HA       THR  21   7.140   3.253  -0.129
  134    HB   THR  21           HB       THR  21   7.347   0.798   0.055
  135    HG1  THR  21           1HG      THR  21   8.313   1.962  -2.339
  136   1HG2  THR  21          1HG2      THR  21   6.588   0.469  -2.795
  137   2HG2  THR  21          2HG2      THR  21   5.318   0.458  -1.571
  138   3HG2  THR  21          3HG2      THR  21   6.633  -0.715  -1.488
  139    H    HIS  22           H        HIS  22   4.288   2.628  -1.997
  140    HA   HIS  22           HA       HIS  22   5.381   4.323  -4.151
  141   1HB   HIS  22          2HB       HIS  22   3.636   3.008  -5.596
  142   2HB   HIS  22          1HB       HIS  22   5.217   2.307  -5.278
  143    HD1  HIS  22           1HD      HIS  22   5.040  -0.077  -4.772
  144    HD2  HIS  22           2HD      HIS  22   1.735   2.007  -3.317
  145    HE1  HIS  22           1HE      HIS  22   3.587  -1.798  -3.665
  146    HE2  HIS  22           2HE      HIS  22   1.721  -0.478  -2.624
  147    H    CYS  23           H        CYS  23   2.622   3.336  -2.269
  148    HA   CYS  23           HA       CYS  23   0.849   5.260  -3.462
  149   1HB   CYS  23          2HB       CYS  23   0.691   3.144  -1.372
  150   2HB   CYS  23          1HB       CYS  23  -0.546   4.384  -1.400
  151    H    ALA  24           H        ALA  24   1.686   7.293  -3.025
  152    HA   ALA  24           HA       ALA  24   1.113   8.343  -0.419
  153   1HB   ALA  24          1HB       ALA  24   3.908   8.942  -1.140
  154   2HB   ALA  24          2HB       ALA  24   3.590   7.305  -0.567
  155   3HB   ALA  24          3HB       ALA  24   3.170   8.689   0.442
  156    H    LYS  25           H        LYS  25   0.266   8.797  -3.139
  157    HA   LYS  25           HA       LYS  25   1.291  11.506  -3.642
  158   1HB   LYS  25          2HB       LYS  25   1.114   9.501  -5.415
  159   2HB   LYS  25          1HB       LYS  25  -0.497  10.178  -5.606
  160   1HG   LYS  25          2HG       LYS  25   0.366  12.280  -6.273
  161   2HG   LYS  25          1HG       LYS  25   2.004  11.833  -5.794
  162   1HD   LYS  25          2HD       LYS  25   2.233  11.391  -7.997
  163   2HD   LYS  25          1HD       LYS  25   1.471   9.862  -7.553
  164   1HE   LYS  25          2HE       LYS  25   0.147  12.303  -8.722
  165   2HE   LYS  25          1HE       LYS  25   0.348  10.725  -9.482
  166   1HZ   LYS  25          1HZ       LYS  25  -1.100   9.784  -7.765
  167   2HZ   LYS  25          2HZ       LYS  25  -1.889  10.980  -8.662
  168   3HZ   LYS  25          3HZ       LYS  25  -1.328  11.325  -7.104
  Start of MODEL    7
    1   1H    ALA   1          1HT       ALA   1  -1.795   4.929   2.884
    2   2H    ALA   1          2HT       ALA   1  -1.902   5.372   4.539
    3   3H    ALA   1          3HT       ALA   1  -3.281   4.761   3.720
    4    HA   ALA   1           HA       ALA   1  -0.807   3.222   4.029
    5   1HB   ALA   1          1HB       ALA   1  -1.257   3.361   6.243
    6   2HB   ALA   1          2HB       ALA   1  -2.414   2.093   5.840
    7   3HB   ALA   1          3HB       ALA   1  -2.954   3.766   5.988
    8    H    VAL   2           H        VAL   2  -1.576   0.829   4.203
    9    HA   VAL   2           HA       VAL   2  -2.733   0.118   1.761
   10    HB   VAL   2           HB       VAL   2  -1.260  -1.382   3.035
   11   1HG1  VAL   2          1HG1      VAL   2  -3.622  -1.725   4.880
   12   2HG1  VAL   2          2HG1      VAL   2  -2.105  -0.915   5.276
   13   3HG1  VAL   2          3HG1      VAL   2  -2.119  -2.647   4.941
   14   1HG2  VAL   2          1HG2      VAL   2  -2.319  -3.411   2.446
   15   2HG2  VAL   2          2HG2      VAL   2  -2.920  -2.203   1.310
   16   3HG2  VAL   2          3HG2      VAL   2  -3.928  -2.720   2.661
   17    H    SER   3           H        SER   3  -4.168   0.711   4.885
   18    HA   SER   3           HA       SER   3  -6.647  -0.557   4.467
   19   1HB   SER   3          2HB       SER   3  -5.961   0.120   6.695
   20   2HB   SER   3          1HB       SER   3  -5.931   1.814   6.207
   21    HG   SER   3           HG       SER   3  -8.266   0.219   6.066
   22    H    ALA   4           H        ALA   4  -5.390   2.553   3.494
   23    HA   ALA   4           HA       ALA   4  -7.978   3.162   2.219
   24   1HB   ALA   4          1HB       ALA   4  -6.039   4.865   3.660
   25   2HB   ALA   4          2HB       ALA   4  -7.796   4.982   3.552
   26   3HB   ALA   4          3HB       ALA   4  -6.790   5.561   2.224
   27    H    CYS   5           H        CYS   5  -5.762   1.526   1.167
   28    HA   CYS   5           HA       CYS   5  -4.390   3.069  -0.809
   29   1HB   CYS   5          2HB       CYS   5  -3.346   1.057  -0.039
   30   2HB   CYS   5          1HB       CYS   5  -4.761   0.094  -0.434
   31    H    ALA   6           H        ALA   6  -4.732   3.133  -3.031
   32    HA   ALA   6           HA       ALA   6  -7.477   2.468  -3.863
   33   1HB   ALA   6          1HB       ALA   6  -5.900   4.338  -5.509
   34   2HB   ALA   6          2HB       ALA   6  -6.336   4.904  -3.897
   35   3HB   ALA   6          3HB       ALA   6  -7.595   4.399  -5.024
   36    H    LEU   7           H        LEU   7  -4.127   1.903  -4.474
   37    HA   LEU   7           HA       LEU   7  -4.268   1.060  -7.159
   38   1HB   LEU   7          2HB       LEU   7  -2.362   0.652  -4.905
   39   2HB   LEU   7          1HB       LEU   7  -2.210  -0.382  -6.312
   40    HG   LEU   7           HG       LEU   7  -2.187   2.630  -6.462
   41   1HD1  LEU   7          1HD1      LEU   7   0.324   1.197  -6.912
   42   2HD1  LEU   7          2HD1      LEU   7  -0.251   1.145  -5.246
   43   3HD1  LEU   7          3HD1      LEU   7   0.010   2.698  -6.039
   44   1HD2  LEU   7          1HD2      LEU   7  -2.794   1.175  -8.482
   45   2HD2  LEU   7          2HD2      LEU   7  -1.103   0.674  -8.461
   46   3HD2  LEU   7          3HD2      LEU   7  -1.517   2.374  -8.684
   47    HA   PRO   8           HA       PRO   8  -6.316  -2.847  -6.621
   48   1HB   PRO   8          2HB       PRO   8  -5.979  -3.854  -9.082
   49   2HB   PRO   8          1HB       PRO   8  -7.034  -2.466  -8.789
   50   1HG   PRO   8          2HG       PRO   8  -4.237  -2.530  -9.851
   51   2HG   PRO   8          1HG       PRO   8  -5.617  -1.557 -10.391
   52   1HD   PRO   8          2HD       PRO   8  -3.626  -0.622  -8.747
   53   2HD   PRO   8          1HD       PRO   8  -5.273   0.037  -8.786
   54    H    LYS   9           H        LYS   9  -5.700  -4.761  -5.804
   55    HA   LYS   9           HA       LYS   9  -4.387  -6.495  -5.136
   56   1HB   LYS   9          2HB       LYS   9  -3.325  -6.075  -7.928
   57   2HB   LYS   9          1HB       LYS   9  -2.803  -7.402  -6.900
   58   1HG   LYS   9          2HG       LYS   9  -5.717  -7.060  -7.266
   59   2HG   LYS   9          1HG       LYS   9  -4.789  -7.623  -8.657
   60   1HD   LYS   9          2HD       LYS   9  -5.478  -9.574  -7.528
   61   2HD   LYS   9          1HD       LYS   9  -3.781  -9.354  -7.093
   62   1HE   LYS   9          2HE       LYS   9  -5.741  -8.058  -5.314
   63   2HE   LYS   9          1HE       LYS   9  -5.755  -9.821  -5.309
   64   1HZ   LYS   9          1HZ       LYS   9  -4.143  -8.384  -3.780
   65   2HZ   LYS   9          2HZ       LYS   9  -3.145  -8.546  -5.136
   66   3HZ   LYS   9          3HZ       LYS   9  -3.731  -9.924  -4.350
   67    H    CYS  10           H        CYS  10  -3.547  -3.770  -4.524
   68    HA   CYS  10           HA       CYS  10  -0.744  -3.496  -4.784
   69   1HB   CYS  10          2HB       CYS  10  -2.695  -1.816  -4.034
   70   2HB   CYS  10          1HB       CYS  10  -2.106  -2.278  -2.442
   71    H    ALA  11           H        ALA  11  -2.768  -4.594  -2.069
   72    HA   ALA  11           HA       ALA  11  -0.723  -5.130  -0.256
   73   1HB   ALA  11          1HB       ALA  11  -2.315  -6.512   0.922
   74   2HB   ALA  11          2HB       ALA  11  -3.330  -6.625  -0.517
   75   3HB   ALA  11          3HB       ALA  11  -3.131  -5.076   0.301
   76    H    ALA  12           H        ALA  12   0.968  -6.419  -0.513
   77    HA   ALA  12           HA       ALA  12   0.784  -8.739  -2.275
   78   1HB   ALA  12          1HB       ALA  12   3.337  -8.122  -0.928
   79   2HB   ALA  12          2HB       ALA  12   2.726  -6.900  -2.044
   80   3HB   ALA  12          3HB       ALA  12   3.010  -8.546  -2.608
   81    H    ALA  13           H        ALA  13   1.083  -7.929   1.099
   82    HA   ALA  13           HA       ALA  13   0.378 -10.536   1.933
   83   1HB   ALA  13          1HB       ALA  13   2.332 -11.449   2.726
   84   2HB   ALA  13          2HB       ALA  13   3.144  -9.887   2.835
   85   3HB   ALA  13          3HB       ALA  13   2.905 -10.647   1.262
   86    H    ALA  14           H        ALA  14  -0.443  -7.827   2.383
   87    HA   ALA  14           HA       ALA  14  -1.189  -6.496   4.071
   88   1HB   ALA  14          1HB       ALA  14  -0.417  -8.436   6.177
   89   2HB   ALA  14          2HB       ALA  14  -1.593  -8.960   4.972
   90   3HB   ALA  14          3HB       ALA  14  -1.918  -7.536   5.959
   91    H    ASN  15           H        ASN  15   1.081  -5.574   3.286
   92    HA   ASN  15           HA       ASN  15   2.526  -4.907   5.754
   93   1HB   ASN  15          2HB       ASN  15   3.678  -6.633   4.087
   94   2HB   ASN  15          1HB       ASN  15   4.107  -5.155   3.231
   95   1HD2  ASN  15          1HD2      ASN  15   6.293  -5.865   3.747
   96   2HD2  ASN  15          2HD2      ASN  15   6.969  -5.438   5.279
   97    H    VAL  16           H        VAL  16   1.721  -2.960   5.963
   98    HA   VAL  16           HA       VAL  16   1.023  -1.060   4.147
   99    HB   VAL  16           HB       VAL  16   2.051  -1.013   6.927
  100   1HG1  VAL  16          1HG1      VAL  16   3.200   0.925   6.108
  101   2HG1  VAL  16          2HG1      VAL  16   1.789   1.484   7.004
  102   3HG1  VAL  16          3HG1      VAL  16   1.768   1.477   5.241
  103   1HG2  VAL  16          1HG2      VAL  16  -0.103  -0.108   7.421
  104   2HG2  VAL  16          2HG2      VAL  16  -0.323  -1.448   6.295
  105   3HG2  VAL  16          3HG2      VAL  16  -0.419   0.215   5.717
  106    H    ALA  17           H        ALA  17   4.279  -1.601   5.478
  107    HA   ALA  17           HA       ALA  17   5.598   0.534   4.299
  108   1HB   ALA  17          1HB       ALA  17   7.089  -2.011   4.370
  109   2HB   ALA  17          2HB       ALA  17   6.371  -1.489   5.893
  110   3HB   ALA  17          3HB       ALA  17   7.499  -0.434   5.044
  111    H    ALA  18           H        ALA  18   5.144  -2.751   3.005
  112    HA   ALA  18           HA       ALA  18   6.443  -2.328   0.555
  113   1HB   ALA  18          1HB       ALA  18   5.581  -4.383  -0.119
  114   2HB   ALA  18          2HB       ALA  18   4.114  -4.192   0.841
  115   3HB   ALA  18          3HB       ALA  18   5.652  -4.527   1.637
  116    H    HIS  19           H        HIS  19   3.360  -1.314   1.713
  117    HA   HIS  19           HA       HIS  19   2.323  -0.794  -0.945
  118   1HB   HIS  19          2HB       HIS  19   0.521  -1.423   0.301
  119   2HB   HIS  19          1HB       HIS  19   1.216  -0.823   1.803
  120    HD2  HIS  19           2HD      HIS  19   0.283   1.536   2.656
  121    HE1  HIS  19           1HE      HIS  19  -1.702   2.652  -0.902
  122    HE2  HIS  19           2HE      HIS  19  -1.124   3.354   1.459
  123    H    MET  20           H        MET  20   2.720   1.229   1.983
  124    HA   MET  20           HA       MET  20   2.371   3.688   0.812
  125   1HB   MET  20          2HB       MET  20   2.963   2.876   3.306
  126   2HB   MET  20          1HB       MET  20   4.526   3.534   2.843
  127   1HG   MET  20          2HG       MET  20   3.573   5.680   2.416
  128   2HG   MET  20          1HG       MET  20   1.940   5.052   2.633
  129   1HE   MET  20          1HE       MET  20   1.599   6.836   5.890
  130   2HE   MET  20          2HE       MET  20   0.846   6.206   4.425
  131   3HE   MET  20          3HE       MET  20   2.055   7.485   4.314
  132    H    THR  21           H        THR  21   5.093   1.576   0.467
  133    HA   THR  21           HA       THR  21   7.149   3.313  -0.149
  134    HB   THR  21           HB       THR  21   7.386   0.864   0.066
  135    HG1  THR  21           1HG      THR  21   8.976   2.145  -1.047
  136   1HG2  THR  21          1HG2      THR  21   5.358   0.534  -1.619
  137   2HG2  THR  21          2HG2      THR  21   6.623  -0.675  -1.395
  138   3HG2  THR  21          3HG2      THR  21   6.690   0.428  -2.769
  139    H    HIS  22           H        HIS  22   4.297   2.637  -2.001
  140    HA   HIS  22           HA       HIS  22   5.371   4.312  -4.181
  141   1HB   HIS  22          2HB       HIS  22   3.639   2.967  -5.608
  142   2HB   HIS  22          1HB       HIS  22   5.219   2.271  -5.272
  143    HD1  HIS  22           1HD      HIS  22   5.039  -0.105  -4.733
  144    HD2  HIS  22           2HD      HIS  22   1.730   2.003  -3.319
  145    HE1  HIS  22           1HE      HIS  22   3.581  -1.808  -3.605
  146    HE2  HIS  22           2HE      HIS  22   1.709  -0.472  -2.593
  147    H    CYS  23           H        CYS  23   2.627   3.335  -2.273
  148    HA   CYS  23           HA       CYS  23   0.839   5.234  -3.487
  149   1HB   CYS  23          2HB       CYS  23   0.696   3.134  -1.382
  150   2HB   CYS  23          1HB       CYS  23  -0.543   4.373  -1.407
  151    H    ALA  24           H        ALA  24  -0.579   6.368  -1.571
  152    HA   ALA  24           HA       ALA  24  -0.675   8.138  -0.144
  153   1HB   ALA  24          1HB       ALA  24   0.329   7.846   1.867
  154   2HB   ALA  24          2HB       ALA  24   1.902   7.488   1.156
  155   3HB   ALA  24          3HB       ALA  24   0.651   6.246   1.199
  156    H    LYS  25           H        LYS  25  -0.068   9.199  -2.321
  157    HA   LYS  25           HA       LYS  25   2.554  10.477  -2.260
  158   1HB   LYS  25          2HB       LYS  25   0.428  10.100  -4.308
  159   2HB   LYS  25          1HB       LYS  25   1.455  11.520  -4.456
  160   1HG   LYS  25          2HG       LYS  25   3.354  10.272  -4.846
  161   2HG   LYS  25          1HG       LYS  25   2.691   8.829  -4.077
  162   1HD   LYS  25          2HD       LYS  25   2.797   8.540  -6.491
  163   2HD   LYS  25          1HD       LYS  25   1.120   8.567  -5.943
  164   1HE   LYS  25          2HE       LYS  25   2.255  11.177  -6.701
  165   2HE   LYS  25          1HE       LYS  25   2.065  10.020  -8.018
  166   1HZ   LYS  25          1HZ       LYS  25  -0.289   9.732  -7.079
  167   2HZ   LYS  25          2HZ       LYS  25   0.050  11.129  -7.969
  168   3HZ   LYS  25          3HZ       LYS  25  -0.008  11.197  -6.280
  Start of MODEL    8
    1   1H    ALA   1          1HT       ALA   1  -1.042   4.746   2.927
    2   2H    ALA   1          2HT       ALA   1  -1.567   5.479   4.388
    3   3H    ALA   1          3HT       ALA   1  -2.715   4.972   3.218
    4    HA   ALA   1           HA       ALA   1  -0.847   3.097   4.462
    5   1HB   ALA   1          1HB       ALA   1  -1.812   3.709   6.417
    6   2HB   ALA   1          2HB       ALA   1  -3.085   2.630   5.846
    7   3HB   ALA   1          3HB       ALA   1  -3.244   4.374   5.631
    8    H    VAL   2           H        VAL   2  -1.524   0.936   4.192
    9    HA   VAL   2           HA       VAL   2  -2.645   0.323   1.707
   10    HB   VAL   2           HB       VAL   2  -1.158  -1.210   2.924
   11   1HG1  VAL   2          1HG1      VAL   2  -2.391  -0.735   5.147
   12   2HG1  VAL   2          2HG1      VAL   2  -1.732  -2.346   4.862
   13   3HG1  VAL   2          3HG1      VAL   2  -3.457  -2.047   4.646
   14   1HG2  VAL   2          1HG2      VAL   2  -2.724  -2.001   1.136
   15   2HG2  VAL   2          2HG2      VAL   2  -3.818  -2.529   2.415
   16   3HG2  VAL   2          3HG2      VAL   2  -2.213  -3.247   2.274
   17    H    SER   3           H        SER   3  -4.117   0.730   4.845
   18    HA   SER   3           HA       SER   3  -6.558  -0.569   4.390
   19   1HB   SER   3          2HB       SER   3  -5.833   0.192   6.617
   20   2HB   SER   3          1HB       SER   3  -6.018   1.869   6.105
   21    HG   SER   3           HG       SER   3  -8.261   1.369   5.736
   22    H    ALA   4           H        ALA   4  -5.427   2.638   3.517
   23    HA   ALA   4           HA       ALA   4  -8.015   3.158   2.207
   24   1HB   ALA   4          1HB       ALA   4  -6.963   4.740   4.025
   25   2HB   ALA   4          2HB       ALA   4  -7.792   5.401   2.617
   26   3HB   ALA   4          3HB       ALA   4  -6.030   5.333   2.651
   27    H    CYS   5           H        CYS   5  -5.761   1.551   1.157
   28    HA   CYS   5           HA       CYS   5  -4.454   3.094  -0.861
   29   1HB   CYS   5          2HB       CYS   5  -3.361   1.114  -0.057
   30   2HB   CYS   5          1HB       CYS   5  -4.752   0.115  -0.450
   31    H    ALA   6           H        ALA   6  -4.834   3.136  -3.070
   32    HA   ALA   6           HA       ALA   6  -7.567   2.388  -3.860
   33   1HB   ALA   6          1HB       ALA   6  -7.734   4.295  -5.057
   34   2HB   ALA   6          2HB       ALA   6  -6.047   4.249  -5.567
   35   3HB   ALA   6          3HB       ALA   6  -6.467   4.844  -3.961
   36    H    LEU   7           H        LEU   7  -4.216   1.873  -4.496
   37    HA   LEU   7           HA       LEU   7  -4.355   0.976  -7.159
   38   1HB   LEU   7          2HB       LEU   7  -2.441   0.633  -4.904
   39   2HB   LEU   7          1HB       LEU   7  -2.280  -0.430  -6.289
   40    HG   LEU   7           HG       LEU   7  -2.304   2.575  -6.518
   41   1HD1  LEU   7          1HD1      LEU   7   0.247   1.209  -6.907
   42   2HD1  LEU   7          2HD1      LEU   7  -0.345   1.146  -5.247
   43   3HD1  LEU   7          3HD1      LEU   7  -0.124   2.702  -6.045
   44   1HD2  LEU   7          1HD2      LEU   7  -1.560   2.248  -8.723
   45   2HD2  LEU   7          2HD2      LEU   7  -2.865   1.083  -8.503
   46   3HD2  LEU   7          3HD2      LEU   7  -1.186   0.550  -8.435
   47    HA   PRO   8           HA       PRO   8  -6.354  -2.946  -6.562
   48   1HB   PRO   8          2HB       PRO   8  -5.990  -3.995  -9.001
   49   2HB   PRO   8          1HB       PRO   8  -7.058  -2.610  -8.742
   50   1HG   PRO   8          2HG       PRO   8  -4.253  -2.671  -9.781
   51   2HG   PRO   8          1HG       PRO   8  -5.637  -1.723 -10.353
   52   1HD   PRO   8          2HD       PRO   8  -3.668  -0.737  -8.711
   53   2HD   PRO   8          1HD       PRO   8  -5.320  -0.093  -8.778
   54    H    LYS   9           H        LYS   9  -5.716  -4.825  -5.690
   55    HA   LYS   9           HA       LYS   9  -4.384  -6.524  -4.968
   56   1HB   LYS   9          2HB       LYS   9  -3.611  -6.206  -7.837
   57   2HB   LYS   9          1HB       LYS   9  -2.677  -7.299  -6.824
   58   1HG   LYS   9          2HG       LYS   9  -5.149  -8.130  -6.209
   59   2HG   LYS   9          1HG       LYS   9  -5.429  -7.548  -7.852
   60   1HD   LYS   9          2HD       LYS   9  -4.217  -9.207  -8.781
   61   2HD   LYS   9          1HD       LYS   9  -3.005  -9.176  -7.497
   62   1HE   LYS   9          2HE       LYS   9  -5.763 -10.352  -7.191
   63   2HE   LYS   9          1HE       LYS   9  -4.335 -11.289  -7.625
   64   1HZ   LYS   9          1HZ       LYS   9  -4.155  -9.620  -5.239
   65   2HZ   LYS   9          2HZ       LYS   9  -3.494 -11.147  -5.543
   66   3HZ   LYS   9          3HZ       LYS   9  -5.128 -11.002  -5.136
   67    H    CYS  10           H        CYS  10  -3.547  -3.785  -4.448
   68    HA   CYS  10           HA       CYS  10  -0.756  -3.492  -4.760
   69   1HB   CYS  10          2HB       CYS  10  -2.691  -1.809  -4.015
   70   2HB   CYS  10          1HB       CYS  10  -2.107  -2.254  -2.416
   71    H    ALA  11           H        ALA  11  -2.710  -4.566  -1.986
   72    HA   ALA  11           HA       ALA  11  -0.620  -5.053  -0.210
   73   1HB   ALA  11          1HB       ALA  11  -3.019  -5.005   0.395
   74   2HB   ALA  11          2HB       ALA  11  -2.171  -6.415   1.033
   75   3HB   ALA  11          3HB       ALA  11  -3.215  -6.579  -0.378
   76    H    ALA  12           H        ALA  12   1.118  -6.233  -0.708
   77    HA   ALA  12           HA       ALA  12   0.940  -8.566  -2.398
   78   1HB   ALA  12          1HB       ALA  12   3.472  -8.651  -1.594
   79   2HB   ALA  12          2HB       ALA  12   3.126  -6.969  -1.193
   80   3HB   ALA  12          3HB       ALA  12   2.918  -7.541  -2.848
   81    H    ALA  13           H        ALA  13   1.132  -7.869   1.008
   82    HA   ALA  13           HA       ALA  13   0.372 -10.492   1.735
   83   1HB   ALA  13          1HB       ALA  13   2.448 -11.064   3.024
   84   2HB   ALA  13          2HB       ALA  13   3.263  -9.766   2.152
   85   3HB   ALA  13          3HB       ALA  13   2.611 -11.146   1.270
   86    H    ALA  14           H        ALA  14  -0.432  -7.789   2.247
   87    HA   ALA  14           HA       ALA  14  -1.233  -6.517   3.954
   88   1HB   ALA  14          1HB       ALA  14  -0.481  -8.559   5.987
   89   2HB   ALA  14          2HB       ALA  14  -1.698  -8.970   4.779
   90   3HB   ALA  14          3HB       ALA  14  -1.948  -7.589   5.848
   91    H    ASN  15           H        ASN  15   1.048  -5.569   3.236
   92    HA   ASN  15           HA       ASN  15   2.434  -4.941   5.746
   93   1HB   ASN  15          2HB       ASN  15   3.611  -6.634   4.017
   94   2HB   ASN  15          1HB       ASN  15   4.122  -5.107   3.304
   95   1HD2  ASN  15          1HD2      ASN  15   5.960  -4.337   4.027
   96   2HD2  ASN  15          2HD2      ASN  15   6.665  -4.654   5.571
   97    H    VAL  16           H        VAL  16   1.637  -2.993   5.960
   98    HA   VAL  16           HA       VAL  16   0.972  -1.069   4.162
   99    HB   VAL  16           HB       VAL  16   1.982  -1.055   6.951
  100   1HG1  VAL  16          1HG1      VAL  16   1.872   1.395   5.211
  101   2HG1  VAL  16          2HG1      VAL  16   3.135   0.890   6.334
  102   3HG1  VAL  16          3HG1      VAL  16   1.597   1.497   6.950
  103   1HG2  VAL  16          1HG2      VAL  16  -0.164  -0.408   7.491
  104   2HG2  VAL  16          2HG2      VAL  16  -0.435  -1.383   6.047
  105   3HG2  VAL  16          3HG2      VAL  16  -0.436   0.377   5.936
  106    H    ALA  17           H        ALA  17   4.218  -1.654   5.498
  107    HA   ALA  17           HA       ALA  17   5.553   0.491   4.347
  108   1HB   ALA  17          1HB       ALA  17   6.304  -1.556   5.932
  109   2HB   ALA  17          2HB       ALA  17   7.440  -0.485   5.112
  110   3HB   ALA  17          3HB       ALA  17   7.042  -2.053   4.411
  111    H    ALA  18           H        ALA  18   5.083  -2.785   3.035
  112    HA   ALA  18           HA       ALA  18   6.405  -2.359   0.596
  113   1HB   ALA  18          1HB       ALA  18   5.501  -4.546   1.716
  114   2HB   ALA  18          2HB       ALA  18   5.626  -4.428  -0.039
  115   3HB   ALA  18          3HB       ALA  18   4.066  -4.203   0.752
  116    H    HIS  19           H        HIS  19   3.318  -1.335   1.736
  117    HA   HIS  19           HA       HIS  19   2.298  -0.802  -0.924
  118   1HB   HIS  19          2HB       HIS  19   0.486  -1.418   0.315
  119   2HB   HIS  19          1HB       HIS  19   1.179  -0.823   1.819
  120    HD2  HIS  19           2HD      HIS  19   0.258   1.543   2.671
  121    HE1  HIS  19           1HE      HIS  19  -1.694   2.678  -0.901
  122    HE2  HIS  19           2HE      HIS  19  -1.124   3.373   1.464
  123    H    MET  20           H        MET  20   2.704   1.215   2.006
  124    HA   MET  20           HA       MET  20   2.376   3.678   0.834
  125   1HB   MET  20          2HB       MET  20   2.955   2.855   3.331
  126   2HB   MET  20          1HB       MET  20   4.520   3.514   2.874
  127   1HG   MET  20          2HG       MET  20   3.603   5.664   2.493
  128   2HG   MET  20          1HG       MET  20   1.955   5.052   2.606
  129   1HE   MET  20          1HE       MET  20   1.857   7.138   5.808
  130   2HE   MET  20          2HE       MET  20   1.102   6.723   4.268
  131   3HE   MET  20          3HE       MET  20   2.622   7.617   4.292
  132    H    THR  21           H        THR  21   5.082   1.546   0.496
  133    HA   THR  21           HA       THR  21   7.155   3.267  -0.103
  134    HB   THR  21           HB       THR  21   7.365   0.812   0.101
  135    HG1  THR  21           1HG      THR  21   9.159   1.272  -0.860
  136   1HG2  THR  21          1HG2      THR  21   6.684   0.410  -2.745
  137   2HG2  THR  21          2HG2      THR  21   5.350   0.506  -1.595
  138   3HG2  THR  21          3HG2      THR  21   6.609  -0.710  -1.385
  139    H    HIS  22           H        HIS  22   4.308   2.621  -1.973
  140    HA   HIS  22           HA       HIS  22   5.404   4.300  -4.140
  141   1HB   HIS  22          2HB       HIS  22   3.668   2.974  -5.580
  142   2HB   HIS  22          1HB       HIS  22   5.244   2.269  -5.245
  143    HD1  HIS  22           1HD      HIS  22   5.050  -0.111  -4.723
  144    HD2  HIS  22           2HD      HIS  22   1.750   2.005  -3.299
  145    HE1  HIS  22           1HE      HIS  22   3.581  -1.814  -3.608
  146    HE2  HIS  22           2HE      HIS  22   1.717  -0.473  -2.587
  147    H    CYS  23           H        CYS  23   2.645   3.332  -2.250
  148    HA   CYS  23           HA       CYS  23   0.875   5.248  -3.464
  149   1HB   CYS  23          2HB       CYS  23   0.710   3.142  -1.365
  150   2HB   CYS  23          1HB       CYS  23  -0.524   4.387  -1.398
  151    H    ALA  24           H        ALA  24   0.969   7.335  -2.953
  152    HA   ALA  24           HA       ALA  24   0.900   8.201  -0.223
  153   1HB   ALA  24          1HB       ALA  24   3.306   9.073  -1.808
  154   2HB   ALA  24          2HB       ALA  24   3.344   7.759  -0.632
  155   3HB   ALA  24          3HB       ALA  24   2.947   9.396  -0.112
  156    H    LYS  25           H        LYS  25  -0.698   8.462  -2.624
  157    HA   LYS  25           HA       LYS  25  -0.742  11.397  -2.794
  158   1HB   LYS  25          2HB       LYS  25  -0.958   9.415  -5.052
  159   2HB   LYS  25          1HB       LYS  25  -1.572  11.057  -5.192
  160   1HG   LYS  25          2HG       LYS  25   0.515  11.986  -5.222
  161   2HG   LYS  25          1HG       LYS  25   1.236  10.666  -4.299
  162   1HD   LYS  25          2HD       LYS  25   2.078  10.433  -6.487
  163   2HD   LYS  25          1HD       LYS  25   0.814   9.210  -6.340
  164   1HE   LYS  25          2HE       LYS  25  -0.055  11.845  -7.335
  165   2HE   LYS  25          1HE       LYS  25   1.013  10.937  -8.404
  166   1HZ   LYS  25          1HZ       LYS  25  -0.523   9.297  -8.699
  167   2HZ   LYS  25          2HZ       LYS  25  -1.565  10.612  -8.484
  168   3HZ   LYS  25          3HZ       LYS  25  -1.271   9.548  -7.203
  Start of MODEL    9
    1   1H    ALA   1          1HT       ALA   1  -2.558   5.123   3.352
    2   2H    ALA   1          2HT       ALA   1  -0.893   4.711   3.297
    3   3H    ALA   1          3HT       ALA   1  -1.523   5.569   4.644
    4    HA   ALA   1           HA       ALA   1  -1.087   3.157   4.951
    5   1HB   ALA   1          1HB       ALA   1  -2.321   3.983   6.668
    6   2HB   ALA   1          2HB       ALA   1  -3.544   2.937   5.947
    7   3HB   ALA   1          3HB       ALA   1  -3.550   4.666   5.604
    8    H    VAL   2           H        VAL   2  -1.547   1.094   4.372
    9    HA   VAL   2           HA       VAL   2  -2.557   0.549   1.826
   10    HB   VAL   2           HB       VAL   2  -1.031  -0.966   3.021
   11   1HG1  VAL   2          1HG1      VAL   2  -2.419  -0.663   5.209
   12   2HG1  VAL   2          2HG1      VAL   2  -1.581  -2.183   4.897
   13   3HG1  VAL   2          3HG1      VAL   2  -3.315  -2.055   4.603
   14   1HG2  VAL   2          1HG2      VAL   2  -2.361  -1.799   1.138
   15   2HG2  VAL   2          2HG2      VAL   2  -3.634  -2.287   2.256
   16   3HG2  VAL   2          3HG2      VAL   2  -2.052  -3.064   2.327
   17    H    SER   3           H        SER   3  -4.151   0.751   4.920
   18    HA   SER   3           HA       SER   3  -6.501  -0.657   4.345
   19   1HB   SER   3          2HB       SER   3  -5.695   1.418   6.311
   20   2HB   SER   3          1HB       SER   3  -7.426   1.207   6.048
   21    HG   SER   3           HG       SER   3  -6.953  -1.115   6.385
   22    H    ALA   4           H        ALA   4  -5.473   2.571   3.496
   23    HA   ALA   4           HA       ALA   4  -8.070   3.032   2.183
   24   1HB   ALA   4          1HB       ALA   4  -7.025   4.637   4.010
   25   2HB   ALA   4          2HB       ALA   4  -7.932   5.263   2.633
   26   3HB   ALA   4          3HB       ALA   4  -6.167   5.274   2.606
   27    H    CYS   5           H        CYS   5  -5.747   1.495   1.151
   28    HA   CYS   5           HA       CYS   5  -4.456   3.062  -0.846
   29   1HB   CYS   5          2HB       CYS   5  -3.359   1.077  -0.075
   30   2HB   CYS   5          1HB       CYS   5  -4.748   0.078  -0.472
   31    H    ALA   6           H        ALA   6  -4.806   3.114  -3.066
   32    HA   ALA   6           HA       ALA   6  -7.540   2.390  -3.885
   33   1HB   ALA   6          1HB       ALA   6  -7.327   4.714  -4.083
   34   2HB   ALA   6          2HB       ALA   6  -7.095   4.110  -5.724
   35   3HB   ALA   6          3HB       ALA   6  -5.702   4.598  -4.759
   36    H    LEU   7           H        LEU   7  -4.182   1.885  -4.512
   37    HA   LEU   7           HA       LEU   7  -4.310   1.015  -7.183
   38   1HB   LEU   7          2HB       LEU   7  -2.405   0.647  -4.924
   39   2HB   LEU   7          1HB       LEU   7  -2.240  -0.404  -6.318
   40    HG   LEU   7           HG       LEU   7  -2.249   2.605  -6.508
   41   1HD1  LEU   7          1HD1      LEU   7   0.284   1.211  -6.931
   42   2HD1  LEU   7          2HD1      LEU   7  -0.298   1.148  -5.268
   43   3HD1  LEU   7          3HD1      LEU   7  -0.061   2.706  -6.061
   44   1HD2  LEU   7          1HD2      LEU   7  -2.835   1.144  -8.514
   45   2HD2  LEU   7          2HD2      LEU   7  -1.155   0.610  -8.468
   46   3HD2  LEU   7          3HD2      LEU   7  -1.533   2.314  -8.723
   47    HA   PRO   8           HA       PRO   8  -6.332  -2.904  -6.625
   48   1HB   PRO   8          2HB       PRO   8  -5.985  -3.919  -9.082
   49   2HB   PRO   8          1HB       PRO   8  -7.057  -2.543  -8.794
   50   1HG   PRO   8          2HG       PRO   8  -4.260  -2.577  -9.858
   51   2HG   PRO   8          1HG       PRO   8  -5.653  -1.625 -10.402
   52   1HD   PRO   8          2HD       PRO   8  -3.675  -0.652  -8.767
   53   2HD   PRO   8          1HD       PRO   8  -5.332  -0.021  -8.802
   54    H    LYS   9           H        LYS   9  -5.691  -4.796  -5.784
   55    HA   LYS   9           HA       LYS   9  -4.363  -6.515  -5.108
   56   1HB   LYS   9          2HB       LYS   9  -3.305  -6.121  -7.907
   57   2HB   LYS   9          1HB       LYS   9  -2.801  -7.446  -6.867
   58   1HG   LYS   9          2HG       LYS   9  -5.708  -7.104  -7.202
   59   2HG   LYS   9          1HG       LYS   9  -4.810  -7.620  -8.632
   60   1HD   LYS   9          2HD       LYS   9  -5.501  -9.595  -7.510
   61   2HD   LYS   9          1HD       LYS   9  -3.774  -9.411  -7.194
   62   1HE   LYS   9          2HE       LYS   9  -5.553  -8.129  -5.234
   63   2HE   LYS   9          1HE       LYS   9  -5.643  -9.889  -5.288
   64   1HZ   LYS   9          1HZ       LYS   9  -3.460  -8.166  -4.432
   65   2HZ   LYS   9          2HZ       LYS   9  -3.016  -9.555  -5.289
   66   3HZ   LYS   9          3HZ       LYS   9  -3.921  -9.693  -3.867
   67    H    CYS  10           H        CYS  10  -3.537  -3.786  -4.520
   68    HA   CYS  10           HA       CYS  10  -0.740  -3.489  -4.810
   69   1HB   CYS  10          2HB       CYS  10  -2.685  -1.814  -4.062
   70   2HB   CYS  10          1HB       CYS  10  -2.106  -2.272  -2.465
   71    H    ALA  11           H        ALA  11  -2.726  -4.582  -2.064
   72    HA   ALA  11           HA       ALA  11  -0.656  -5.093  -0.272
   73   1HB   ALA  11          1HB       ALA  11  -2.224  -6.467   0.939
   74   2HB   ALA  11          2HB       ALA  11  -3.250  -6.614  -0.487
   75   3HB   ALA  11          3HB       ALA  11  -3.062  -5.050   0.307
   76    H    ALA  12           H        ALA  12   1.048  -6.361  -0.567
   77    HA   ALA  12           HA       ALA  12   0.877  -8.675  -2.326
   78   1HB   ALA  12          1HB       ALA  12   3.386  -7.988  -0.889
   79   2HB   ALA  12          2HB       ALA  12   2.805  -6.877  -2.131
   80   3HB   ALA  12          3HB       ALA  12   3.145  -8.559  -2.541
   81    H    ALA  13           H        ALA  13   1.111  -7.916   1.064
   82    HA   ALA  13           HA       ALA  13   0.379 -10.530   1.847
   83   1HB   ALA  13          1HB       ALA  13   2.307 -11.487   2.612
   84   2HB   ALA  13          2HB       ALA  13   3.110  -9.937   2.858
   85   3HB   ALA  13          3HB       ALA  13   2.944 -10.595   1.230
   86    H    ALA  14           H        ALA  14  -0.438  -7.824   2.321
   87    HA   ALA  14           HA       ALA  14  -1.219  -6.521   4.013
   88   1HB   ALA  14          1HB       ALA  14  -0.485  -8.418   6.152
   89   2HB   ALA  14          2HB       ALA  14  -1.557  -9.035   4.896
   90   3HB   ALA  14          3HB       ALA  14  -2.017  -7.609   5.826
   91    H    ASN  15           H        ASN  15   1.059  -5.583   3.268
   92    HA   ASN  15           HA       ASN  15   2.462  -4.927   5.762
   93   1HB   ASN  15          2HB       ASN  15   3.616  -6.629   3.999
   94   2HB   ASN  15          1HB       ASN  15   4.155  -5.089   3.334
   95   1HD2  ASN  15          1HD2      ASN  15   5.434  -7.383   4.886
   96   2HD2  ASN  15          2HD2      ASN  15   6.336  -6.581   6.123
   97    H    VAL  16           H        VAL  16   1.663  -2.977   5.960
   98    HA   VAL  16           HA       VAL  16   0.987  -1.074   4.144
   99    HB   VAL  16           HB       VAL  16   2.006  -1.029   6.929
  100   1HG1  VAL  16          1HG1      VAL  16   3.144   0.914   6.336
  101   2HG1  VAL  16          2HG1      VAL  16   1.583   1.534   6.870
  102   3HG1  VAL  16          3HG1      VAL  16   1.929   1.385   5.148
  103   1HG2  VAL  16          1HG2      VAL  16  -0.183   0.253   7.189
  104   2HG2  VAL  16          2HG2      VAL  16  -0.290  -1.442   6.714
  105   3HG2  VAL  16          3HG2      VAL  16  -0.496  -0.174   5.507
  106    H    ALA  17           H        ALA  17   4.238  -1.637   5.478
  107    HA   ALA  17           HA       ALA  17   5.570   0.497   4.309
  108   1HB   ALA  17          1HB       ALA  17   7.014  -2.087   4.405
  109   2HB   ALA  17          2HB       ALA  17   6.342  -1.488   5.922
  110   3HB   ALA  17          3HB       ALA  17   7.485  -0.499   5.012
  111    H    ALA  18           H        ALA  18   5.097  -2.783   3.009
  112    HA   ALA  18           HA       ALA  18   6.406  -2.364   0.562
  113   1HB   ALA  18          1HB       ALA  18   5.828  -4.587   1.438
  114   2HB   ALA  18          2HB       ALA  18   5.252  -4.355  -0.213
  115   3HB   ALA  18          3HB       ALA  18   4.123  -4.250   1.138
  116    H    HIS  19           H        HIS  19   3.324  -1.339   1.712
  117    HA   HIS  19           HA       HIS  19   2.296  -0.811  -0.947
  118   1HB   HIS  19          2HB       HIS  19   0.487  -1.430   0.297
  119   2HB   HIS  19          1HB       HIS  19   1.182  -0.832   1.798
  120    HD2  HIS  19           2HD      HIS  19   0.252   1.530   2.650
  121    HE1  HIS  19           1HE      HIS  19  -1.699   2.662  -0.922
  122    HE2  HIS  19           2HE      HIS  19  -1.418   3.176   1.547
  123    H    MET  20           H        MET  20   2.707   1.208   1.981
  124    HA   MET  20           HA       MET  20   2.372   3.670   0.809
  125   1HB   MET  20          2HB       MET  20   2.944   2.857   3.305
  126   2HB   MET  20          1HB       MET  20   4.517   3.498   2.850
  127   1HG   MET  20          2HG       MET  20   3.647   5.657   2.491
  128   2HG   MET  20          1HG       MET  20   1.984   5.074   2.539
  129   1HE   MET  20          1HE       MET  20   1.893   7.264   5.587
  130   2HE   MET  20          2HE       MET  20   1.925   7.265   3.824
  131   3HE   MET  20          3HE       MET  20   3.394   7.621   4.733
  132    H    THR  21           H        THR  21   5.079   1.540   0.467
  133    HA   THR  21           HA       THR  21   7.152   3.260  -0.135
  134    HB   THR  21           HB       THR  21   7.363   0.806   0.065
  135    HG1  THR  21           1HG      THR  21   8.330   1.956  -2.336
  136   1HG2  THR  21          1HG2      THR  21   5.339   0.483  -1.600
  137   2HG2  THR  21          2HG2      THR  21   6.620  -0.717  -1.437
  138   3HG2  THR  21          3HG2      THR  21   6.647   0.425  -2.781
  139    H    HIS  22           H        HIS  22   4.301   2.618  -2.001
  140    HA   HIS  22           HA       HIS  22   5.394   4.301  -4.166
  141   1HB   HIS  22          2HB       HIS  22   3.654   2.975  -5.606
  142   2HB   HIS  22          1HB       HIS  22   5.233   2.273  -5.275
  143    HD1  HIS  22           1HD      HIS  22   5.046  -0.107  -4.759
  144    HD2  HIS  22           2HD      HIS  22   1.746   1.997  -3.321
  145    HE1  HIS  22           1HE      HIS  22   3.584  -1.816  -3.643
  146    HE2  HIS  22           2HE      HIS  22   1.722  -0.483  -2.613
  147    H    CYS  23           H        CYS  23   2.637   3.327  -2.276
  148    HA   CYS  23           HA       CYS  23   0.863   5.242  -3.482
  149   1HB   CYS  23          2HB       CYS  23   0.703   3.135  -1.385
  150   2HB   CYS  23          1HB       CYS  23  -0.533   4.377  -1.416
  151    H    ALA  24           H        ALA  24   1.438   7.316  -3.049
  152    HA   ALA  24           HA       ALA  24   1.046   8.287  -0.377
  153   1HB   ALA  24          1HB       ALA  24   3.150   8.903   0.231
  154   2HB   ALA  24          2HB       ALA  24   3.701   9.079  -1.435
  155   3HB   ALA  24          3HB       ALA  24   3.549   7.473  -0.721
  156    H    LYS  25           H        LYS  25  -0.206   8.712  -2.893
  157    HA   LYS  25           HA       LYS  25   0.377  11.573  -3.286
  158   1HB   LYS  25          2HB       LYS  25   0.865   9.806  -5.204
  159   2HB   LYS  25          1HB       LYS  25  -0.862   9.982  -5.485
  160   1HG   LYS  25          2HG       LYS  25  -0.575  12.386  -5.780
  161   2HG   LYS  25          1HG       LYS  25   1.156  12.218  -5.483
  162   1HD   LYS  25          2HD       LYS  25   1.197  12.145  -7.754
  163   2HD   LYS  25          1HD       LYS  25   0.908  10.432  -7.445
  164   1HE   LYS  25          2HE       LYS  25  -1.169  12.520  -8.096
  165   2HE   LYS  25          1HE       LYS  25  -0.600  11.237  -9.163
  166   1HZ   LYS  25          1HZ       LYS  25  -1.424   9.655  -7.396
  167   2HZ   LYS  25          2HZ       LYS  25  -2.614  10.481  -8.271
  168   3HZ   LYS  25          3HZ       LYS  25  -2.222  10.976  -6.702
  Start of MODEL   10
    1   1H    ALA   1          1HT       ALA   1  -2.782   4.815   3.425
    2   2H    ALA   1          2HT       ALA   1  -1.105   4.617   3.119
    3   3H    ALA   1          3HT       ALA   1  -1.635   5.291   4.605
    4    HA   ALA   1           HA       ALA   1  -0.890   2.913   4.588
    5   1HB   ALA   1          1HB       ALA   1  -2.414   4.270   6.256
    6   2HB   ALA   1          2HB       ALA   1  -2.179   2.530   6.434
    7   3HB   ALA   1          3HB       ALA   1  -3.647   3.150   5.675
    8    H    VAL   2           H        VAL   2  -1.611   0.747   4.301
    9    HA   VAL   2           HA       VAL   2  -2.692   0.192   1.785
   10    HB   VAL   2           HB       VAL   2  -1.261  -1.388   3.008
   11   1HG1  VAL   2          1HG1      VAL   2  -1.787  -2.378   4.981
   12   2HG1  VAL   2          2HG1      VAL   2  -3.519  -2.385   4.644
   13   3HG1  VAL   2          3HG1      VAL   2  -2.730  -0.901   5.180
   14   1HG2  VAL   2          1HG2      VAL   2  -2.354  -3.399   2.319
   15   2HG2  VAL   2          2HG2      VAL   2  -2.793  -2.129   1.177
   16   3HG2  VAL   2          3HG2      VAL   2  -3.940  -2.634   2.417
   17    H    SER   3           H        SER   3  -4.225   0.603   4.891
   18    HA   SER   3           HA       SER   3  -6.685  -0.642   4.346
   19   1HB   SER   3          2HB       SER   3  -5.637   0.451   6.556
   20   2HB   SER   3          1HB       SER   3  -6.668   1.793   6.059
   21    HG   SER   3           HG       SER   3  -7.618  -0.864   6.258
   22    H    ALA   4           H        ALA   4  -5.415   2.503   3.509
   23    HA   ALA   4           HA       ALA   4  -7.977   3.161   2.209
   24   1HB   ALA   4          1HB       ALA   4  -6.972   4.667   4.077
   25   2HB   ALA   4          2HB       ALA   4  -7.647   5.407   2.625
   26   3HB   ALA   4          3HB       ALA   4  -5.900   5.228   2.793
   27    H    CYS   5           H        CYS   5  -5.757   1.508   1.153
   28    HA   CYS   5           HA       CYS   5  -4.374   3.060  -0.809
   29   1HB   CYS   5          2HB       CYS   5  -3.338   1.039  -0.054
   30   2HB   CYS   5          1HB       CYS   5  -4.759   0.085  -0.451
   31    H    ALA   6           H        ALA   6  -4.703   3.127  -3.035
   32    HA   ALA   6           HA       ALA   6  -7.453   2.493  -3.876
   33   1HB   ALA   6          1HB       ALA   6  -7.339   4.752  -4.188
   34   2HB   ALA   6          2HB       ALA   6  -6.738   4.211  -5.754
   35   3HB   ALA   6          3HB       ALA   6  -5.605   4.733  -4.507
   36    H    LEU   7           H        LEU   7  -4.104   1.908  -4.489
   37    HA   LEU   7           HA       LEU   7  -4.253   1.064  -7.171
   38   1HB   LEU   7          2HB       LEU   7  -2.346   0.648  -4.920
   39   2HB   LEU   7          1HB       LEU   7  -2.201  -0.389  -6.326
   40    HG   LEU   7           HG       LEU   7  -2.162   2.622  -6.478
   41   1HD1  LEU   7          1HD1      LEU   7  -0.234   1.132  -5.261
   42   2HD1  LEU   7          2HD1      LEU   7   0.037   2.679  -6.062
   43   3HD1  LEU   7          3HD1      LEU   7   0.340   1.173  -6.928
   44   1HD2  LEU   7          1HD2      LEU   7  -2.779   1.173  -8.497
   45   2HD2  LEU   7          2HD2      LEU   7  -1.094   0.656  -8.475
   46   3HD2  LEU   7          3HD2      LEU   7  -1.491   2.359  -8.702
   47    HA   PRO   8           HA       PRO   8  -6.321  -2.833  -6.629
   48   1HB   PRO   8          2HB       PRO   8  -5.992  -3.842  -9.091
   49   2HB   PRO   8          1HB       PRO   8  -7.040  -2.449  -8.796
   50   1HG   PRO   8          2HG       PRO   8  -4.245  -2.525  -9.862
   51   2HG   PRO   8          1HG       PRO   8  -5.622  -1.547 -10.401
   52   1HD   PRO   8          2HD       PRO   8  -3.625  -0.618  -8.760
   53   2HD   PRO   8          1HD       PRO   8  -5.270   0.046  -8.797
   54    H    LYS   9           H        LYS   9  -5.710  -4.747  -5.811
   55    HA   LYS   9           HA       LYS   9  -4.406  -6.490  -5.147
   56   1HB   LYS   9          2HB       LYS   9  -4.475  -6.642  -7.805
   57   2HB   LYS   9          1HB       LYS   9  -2.753  -6.339  -7.621
   58   1HG   LYS   9          2HG       LYS   9  -2.776  -8.617  -7.588
   59   2HG   LYS   9          1HG       LYS   9  -2.926  -8.280  -5.862
   60   1HD   LYS   9          2HD       LYS   9  -5.466  -8.410  -7.341
   61   2HD   LYS   9          1HD       LYS   9  -4.571  -9.928  -7.250
   62   1HE   LYS   9          2HE       LYS   9  -4.762  -8.413  -4.733
   63   2HE   LYS   9          1HE       LYS   9  -6.284  -9.055  -5.348
   64   1HZ   LYS   9          1HZ       LYS   9  -4.635 -10.455  -3.825
   65   2HZ   LYS   9          2HZ       LYS   9  -4.021 -10.883  -5.342
   66   3HZ   LYS   9          3HZ       LYS   9  -5.648 -11.171  -4.977
   67    H    CYS  10           H        CYS  10  -3.557  -3.769  -4.532
   68    HA   CYS  10           HA       CYS  10  -0.752  -3.508  -4.788
   69   1HB   CYS  10          2HB       CYS  10  -2.697  -1.817  -4.048
   70   2HB   CYS  10          1HB       CYS  10  -2.113  -2.276  -2.452
   71    H    ALA  11           H        ALA  11  -2.793  -4.607  -2.089
   72    HA   ALA  11           HA       ALA  11  -0.767  -5.137  -0.255
   73   1HB   ALA  11          1HB       ALA  11  -2.364  -6.533   0.900
   74   2HB   ALA  11          2HB       ALA  11  -3.363  -6.642  -0.549
   75   3HB   ALA  11          3HB       ALA  11  -3.178  -5.096   0.280
   76    H    ALA  12           H        ALA  12   0.936  -6.414  -0.500
   77    HA   ALA  12           HA       ALA  12   0.777  -8.738  -2.261
   78   1HB   ALA  12          1HB       ALA  12   3.281  -8.816  -1.814
   79   2HB   ALA  12          2HB       ALA  12   3.073  -7.264  -1.003
   80   3HB   ALA  12          3HB       ALA  12   2.674  -7.427  -2.713
   81    H    ALA  13           H        ALA  13   1.069  -7.912   1.111
   82    HA   ALA  13           HA       ALA  13   0.376 -10.518   1.958
   83   1HB   ALA  13          1HB       ALA  13   2.640 -10.730   3.298
   84   2HB   ALA  13          2HB       ALA  13   3.263  -9.807   1.930
   85   3HB   ALA  13          3HB       ALA  13   2.478 -11.363   1.660
   86    H    ALA  14           H        ALA  14  -0.453  -7.810   2.398
   87    HA   ALA  14           HA       ALA  14  -1.198  -6.472   4.080
   88   1HB   ALA  14          1HB       ALA  14  -0.980  -7.664   6.453
   89   2HB   ALA  14          2HB       ALA  14  -0.754  -9.075   5.420
   90   3HB   ALA  14          3HB       ALA  14  -2.220  -8.105   5.280
   91    H    ASN  15           H        ASN  15   1.071  -5.550   3.295
   92    HA   ASN  15           HA       ASN  15   2.516  -4.876   5.762
   93   1HB   ASN  15          2HB       ASN  15   3.658  -6.602   4.063
   94   2HB   ASN  15          1HB       ASN  15   4.120  -5.104   3.260
   95   1HD2  ASN  15          1HD2      ASN  15   6.293  -5.461   3.716
   96   2HD2  ASN  15          2HD2      ASN  15   6.943  -5.242   5.301
   97    H    VAL  16           H        VAL  16   1.711  -2.928   5.963
   98    HA   VAL  16           HA       VAL  16   1.014  -1.035   4.140
   99    HB   VAL  16           HB       VAL  16   2.038  -0.978   6.922
  100   1HG1  VAL  16          1HG1      VAL  16   3.188   0.958   6.147
  101   2HG1  VAL  16          2HG1      VAL  16   1.735   1.533   6.966
  102   3HG1  VAL  16          3HG1      VAL  16   1.796   1.492   5.203
  103   1HG2  VAL  16          1HG2      VAL  16  -0.110  -0.501   7.464
  104   2HG2  VAL  16          2HG2      VAL  16  -0.407  -1.250   5.896
  105   3HG2  VAL  16          3HG2      VAL  16  -0.366   0.507   6.040
  106    H    ALA  17           H        ALA  17   4.269  -1.568   5.479
  107    HA   ALA  17           HA       ALA  17   5.588   0.563   4.294
  108   1HB   ALA  17          1HB       ALA  17   7.088  -1.974   4.373
  109   2HB   ALA  17          2HB       ALA  17   6.357  -1.462   5.895
  110   3HB   ALA  17          3HB       ALA  17   7.485  -0.396   5.056
  111    H    ALA  18           H        ALA  18   5.139  -2.727   3.013
  112    HA   ALA  18           HA       ALA  18   6.443  -2.312   0.564
  113   1HB   ALA  18          1HB       ALA  18   5.784  -4.417   0.035
  114   2HB   ALA  18          2HB       ALA  18   4.135  -4.164   0.605
  115   3HB   ALA  18          3HB       ALA  18   5.429  -4.476   1.761
  116    H    HIS  19           H        HIS  19   3.358  -1.297   1.711
  117    HA   HIS  19           HA       HIS  19   2.324  -0.788  -0.950
  118   1HB   HIS  19          2HB       HIS  19   0.520  -1.414   0.294
  119   2HB   HIS  19          1HB       HIS  19   1.212  -0.809   1.795
  120    HD2  HIS  19           2HD      HIS  19   0.276   1.556   2.638
  121    HE1  HIS  19           1HE      HIS  19  -1.707   2.653  -0.929
  122    HE2  HIS  19           2HE      HIS  19  -1.412   3.184   1.535
  123    H    MET  20           H        MET  20   2.714   1.247   1.970
  124    HA   MET  20           HA       MET  20   2.364   3.701   0.790
  125   1HB   MET  20          2HB       MET  20   2.944   2.905   3.287
  126   2HB   MET  20          1HB       MET  20   4.517   3.545   2.827
  127   1HG   MET  20          2HG       MET  20   3.796   5.683   2.797
  128   2HG   MET  20          1HG       MET  20   2.185   5.248   2.230
  129   1HE   MET  20          1HE       MET  20   3.682   4.889   6.548
  130   2HE   MET  20          2HE       MET  20   4.232   6.244   5.563
  131   3HE   MET  20          3HE       MET  20   4.599   4.591   5.071
  132    H    THR  21           H        THR  21   5.090   1.591   0.457
  133    HA   THR  21           HA       THR  21   7.144   3.328  -0.163
  134    HB   THR  21           HB       THR  21   7.385   0.880   0.063
  135    HG1  THR  21           1HG      THR  21   9.057   0.808  -1.290
  136   1HG2  THR  21          1HG2      THR  21   6.666   0.456  -2.775
  137   2HG2  THR  21          2HG2      THR  21   5.359   0.514  -1.592
  138   3HG2  THR  21          3HG2      THR  21   6.655  -0.669  -1.417
  139    H    HIS  22           H        HIS  22   4.297   2.639  -2.017
  140    HA   HIS  22           HA       HIS  22   5.371   4.303  -4.204
  141   1HB   HIS  22          2HB       HIS  22   3.644   2.949  -5.627
  142   2HB   HIS  22          1HB       HIS  22   5.224   2.255  -5.283
  143    HD1  HIS  22           1HD      HIS  22   5.040  -0.119  -4.733
  144    HD2  HIS  22           2HD      HIS  22   1.730   1.998  -3.336
  145    HE1  HIS  22           1HE      HIS  22   3.578  -1.815  -3.599
  146    HE2  HIS  22           2HE      HIS  22   1.706  -0.472  -2.598
  147    H    CYS  23           H        CYS  23   2.626   3.335  -2.293
  148    HA   CYS  23           HA       CYS  23   0.838   5.226  -3.520
  149   1HB   CYS  23          2HB       CYS  23   0.694   3.135  -1.407
  150   2HB   CYS  23          1HB       CYS  23  -0.547   4.374  -1.437
  151    H    ALA  24           H        ALA  24   2.126   7.145  -3.058
  152    HA   ALA  24           HA       ALA  24   1.556   8.176  -0.369
  153   1HB   ALA  24          1HB       ALA  24   3.853   9.428  -0.729
  154   2HB   ALA  24          2HB       ALA  24   4.202   8.007  -1.715
  155   3HB   ALA  24          3HB       ALA  24   3.783   7.818  -0.011
  156    H    LYS  25           H        LYS  25   0.229   8.546  -2.937
  157    HA   LYS  25           HA       LYS  25   0.796  11.387  -3.451
  158   1HB   LYS  25          2HB       LYS  25  -0.233   9.164  -5.143
  159   2HB   LYS  25          1HB       LYS  25  -0.835  10.783  -5.471
  160   1HG   LYS  25          2HG       LYS  25   1.304  11.590  -6.004
  161   2HG   LYS  25          1HG       LYS  25   2.099  10.183  -5.294
  162   1HD   LYS  25          2HD       LYS  25   2.195   9.905  -7.650
  163   2HD   LYS  25          1HD       LYS  25   0.962   8.790  -7.059
  164   1HE   LYS  25          2HE       LYS  25   0.055  11.494  -7.848
  165   2HE   LYS  25          1HE       LYS  25   0.579  10.422  -9.146
  166   1HZ   LYS  25          1HZ       LYS  25  -1.244   9.311  -7.156
  167   2HZ   LYS  25          2HZ       LYS  25  -1.157   9.027  -8.822
  168   3HZ   LYS  25          3HZ       LYS  25  -1.889  10.437  -8.243
  Start of MODEL   11
    1   1H    ALA   1          1HT       ALA   1  -1.455   4.897   3.074
    2   2H    ALA   1          2HT       ALA   1  -1.412   5.621   4.630
    3   3H    ALA   1          3HT       ALA   1  -2.915   5.369   3.840
    4    HA   ALA   1           HA       ALA   1  -1.060   3.334   4.870
    5   1HB   ALA   1          1HB       ALA   1  -2.550   4.594   6.472
    6   2HB   ALA   1          2HB       ALA   1  -2.736   2.841   6.462
    7   3HB   ALA   1          3HB       ALA   1  -3.919   3.858   5.640
    8    H    VAL   2           H        VAL   2  -1.534   1.197   4.398
    9    HA   VAL   2           HA       VAL   2  -2.527   0.630   1.848
   10    HB   VAL   2           HB       VAL   2  -0.970  -0.850   3.046
   11   1HG1  VAL   2          1HG1      VAL   2  -2.175  -0.607   5.260
   12   2HG1  VAL   2          2HG1      VAL   2  -1.607  -2.227   4.853
   13   3HG1  VAL   2          3HG1      VAL   2  -3.312  -1.817   4.664
   14   1HG2  VAL   2          1HG2      VAL   2  -1.988  -2.987   2.389
   15   2HG2  VAL   2          2HG2      VAL   2  -2.221  -1.739   1.164
   16   3HG2  VAL   2          3HG2      VAL   2  -3.551  -2.183   2.234
   17    H    SER   3           H        SER   3  -4.128   0.797   4.942
   18    HA   SER   3           HA       SER   3  -6.444  -0.664   4.371
   19   1HB   SER   3          2HB       SER   3  -5.599   0.434   6.600
   20   2HB   SER   3          1HB       SER   3  -6.569   1.807   6.065
   21    HG   SER   3           HG       SER   3  -7.525  -0.853   6.340
   22    H    ALA   4           H        ALA   4  -5.488   2.580   3.499
   23    HA   ALA   4           HA       ALA   4  -8.094   2.973   2.181
   24   1HB   ALA   4          1HB       ALA   4  -7.572   4.647   3.897
   25   2HB   ALA   4          2HB       ALA   4  -7.675   5.363   2.290
   26   3HB   ALA   4          3HB       ALA   4  -6.099   5.071   3.025
   27    H    CYS   5           H        CYS   5  -5.741   1.481   1.160
   28    HA   CYS   5           HA       CYS   5  -4.461   3.054  -0.832
   29   1HB   CYS   5          2HB       CYS   5  -3.361   1.069  -0.073
   30   2HB   CYS   5          1HB       CYS   5  -4.750   0.068  -0.470
   31    H    ALA   6           H        ALA   6  -4.802   3.110  -3.056
   32    HA   ALA   6           HA       ALA   6  -7.533   2.394  -3.885
   33   1HB   ALA   6          1HB       ALA   6  -7.550   4.222  -5.339
   34   2HB   ALA   6          2HB       ALA   6  -5.795   4.386  -5.301
   35   3HB   ALA   6          3HB       ALA   6  -6.753   4.834  -3.890
   36    H    LEU   7           H        LEU   7  -4.173   1.894  -4.509
   37    HA   LEU   7           HA       LEU   7  -4.297   1.035  -7.183
   38   1HB   LEU   7          2HB       LEU   7  -2.395   0.657  -4.924
   39   2HB   LEU   7          1HB       LEU   7  -2.227  -0.386  -6.323
   40    HG   LEU   7           HG       LEU   7  -2.233   2.624  -6.494
   41   1HD1  LEU   7          1HD1      LEU   7   0.295   1.226  -6.933
   42   2HD1  LEU   7          2HD1      LEU   7  -0.283   1.155  -5.269
   43   3HD1  LEU   7          3HD1      LEU   7  -0.043   2.717  -6.054
   44   1HD2  LEU   7          1HD2      LEU   7  -1.535   2.352  -8.712
   45   2HD2  LEU   7          2HD2      LEU   7  -2.824   1.168  -8.508
   46   3HD2  LEU   7          3HD2      LEU   7  -1.139   0.650  -8.473
   47    HA   PRO   8           HA       PRO   8  -6.313  -2.890  -6.643
   48   1HB   PRO   8          2HB       PRO   8  -5.971  -3.891  -9.106
   49   2HB   PRO   8          1HB       PRO   8  -7.042  -2.515  -8.808
   50   1HG   PRO   8          2HG       PRO   8  -4.247  -2.544  -9.879
   51   2HG   PRO   8          1HG       PRO   8  -5.641  -1.588 -10.414
   52   1HD   PRO   8          2HD       PRO   8  -3.658  -0.629  -8.776
   53   2HD   PRO   8          1HD       PRO   8  -5.313   0.007  -8.807
   54    H    LYS   9           H        LYS   9  -5.671  -4.790  -5.820
   55    HA   LYS   9           HA       LYS   9  -4.341  -6.514  -5.160
   56   1HB   LYS   9          2HB       LYS   9  -3.452  -6.084  -7.994
   57   2HB   LYS   9          1HB       LYS   9  -2.662  -7.290  -6.989
   58   1HG   LYS   9          2HG       LYS   9  -5.637  -7.269  -7.293
   59   2HG   LYS   9          1HG       LYS   9  -4.603  -8.012  -8.515
   60   1HD   LYS   9          2HD       LYS   9  -4.813  -9.847  -7.225
   61   2HD   LYS   9          1HD       LYS   9  -3.559  -9.074  -6.252
   62   1HE   LYS   9          2HE       LYS   9  -5.775  -7.905  -5.234
   63   2HE   LYS   9          1HE       LYS   9  -6.421  -9.482  -5.686
   64   1HZ   LYS   9          1HZ       LYS   9  -4.158  -8.923  -3.853
   65   2HZ   LYS   9          2HZ       LYS   9  -4.525 -10.471  -4.428
   66   3HZ   LYS   9          3HZ       LYS   9  -5.644  -9.638  -3.471
   67    H    CYS  10           H        CYS  10  -3.524  -3.786  -4.544
   68    HA   CYS  10           HA       CYS  10  -0.726  -3.482  -4.820
   69   1HB   CYS  10          2HB       CYS  10  -2.686  -1.821  -4.059
   70   2HB   CYS  10          1HB       CYS  10  -2.095  -2.285  -2.468
   71    H    ALA  11           H        ALA  11  -2.718  -4.585  -2.082
   72    HA   ALA  11           HA       ALA  11  -0.647  -5.118  -0.296
   73   1HB   ALA  11          1HB       ALA  11  -3.052  -5.059   0.289
   74   2HB   ALA  11          2HB       ALA  11  -2.222  -6.485   0.912
   75   3HB   ALA  11          3HB       ALA  11  -3.254  -6.617  -0.512
   76    H    ALA  12           H        ALA  12   1.019  -6.444  -0.510
   77    HA   ALA  12           HA       ALA  12   0.825  -8.747  -2.296
   78   1HB   ALA  12          1HB       ALA  12   3.228  -8.834  -2.202
   79   2HB   ALA  12          2HB       ALA  12   3.259  -7.647  -0.899
   80   3HB   ALA  12          3HB       ALA  12   2.726  -7.172  -2.511
   81    H    ALA  13           H        ALA  13   1.107  -7.957   1.082
   82    HA   ALA  13           HA       ALA  13   0.390 -10.568   1.896
   83   1HB   ALA  13          1HB       ALA  13   3.101  -9.990   2.934
   84   2HB   ALA  13          2HB       ALA  13   2.985 -10.559   1.268
   85   3HB   ALA  13          3HB       ALA  13   2.325 -11.534   2.582
   86    H    ALA  14           H        ALA  14  -0.436  -7.862   2.350
   87    HA   ALA  14           HA       ALA  14  -1.201  -6.541   4.036
   88   1HB   ALA  14          1HB       ALA  14  -0.463  -8.876   5.796
   89   2HB   ALA  14          2HB       ALA  14  -1.999  -8.668   4.957
   90   3HB   ALA  14          3HB       ALA  14  -1.530  -7.541   6.230
   91    H    ASN  15           H        ASN  15   1.072  -5.609   3.274
   92    HA   ASN  15           HA       ASN  15   2.492  -4.944   5.757
   93   1HB   ASN  15          2HB       ASN  15   3.648  -6.657   4.041
   94   2HB   ASN  15          1HB       ASN  15   4.132  -5.144   3.281
   95   1HD2  ASN  15          1HD2      ASN  15   4.932  -3.482   4.971
   96   2HD2  ASN  15          2HD2      ASN  15   6.081  -4.092   6.108
   97    H    VAL  16           H        VAL  16   1.684  -2.997   5.958
   98    HA   VAL  16           HA       VAL  16   0.994  -1.096   4.143
   99    HB   VAL  16           HB       VAL  16   2.024  -1.048   6.924
  100   1HG1  VAL  16          1HG1      VAL  16   3.170   0.892   6.230
  101   2HG1  VAL  16          2HG1      VAL  16   1.663   1.488   6.928
  102   3HG1  VAL  16          3HG1      VAL  16   1.849   1.400   5.176
  103   1HG2  VAL  16          1HG2      VAL  16  -0.124  -0.213   7.440
  104   2HG2  VAL  16          2HG2      VAL  16  -0.364  -1.464   6.221
  105   3HG2  VAL  16          3HG2      VAL  16  -0.436   0.238   5.764
  106    H    ALA  17           H        ALA  17   4.251  -1.645   5.468
  107    HA   ALA  17           HA       ALA  17   5.574   0.489   4.292
  108   1HB   ALA  17          1HB       ALA  17   7.058  -2.061   4.358
  109   2HB   ALA  17          2HB       ALA  17   6.344  -1.538   5.884
  110   3HB   ALA  17          3HB       ALA  17   7.474  -0.485   5.033
  111    H    ALA  18           H        ALA  18   5.102  -2.791   2.994
  112    HA   ALA  18           HA       ALA  18   6.403  -2.372   0.543
  113   1HB   ALA  18          1HB       ALA  18   5.733  -4.585   1.518
  114   2HB   ALA  18          2HB       ALA  18   5.371  -4.388  -0.197
  115   3HB   ALA  18          3HB       ALA  18   4.083  -4.240   0.999
  116    H    HIS  19           H        HIS  19   3.323  -1.347   1.702
  117    HA   HIS  19           HA       HIS  19   2.288  -0.816  -0.954
  118   1HB   HIS  19          2HB       HIS  19   0.483  -1.435   0.295
  119   2HB   HIS  19          1HB       HIS  19   1.182  -0.838   1.795
  120    HD2  HIS  19           2HD      HIS  19   0.252   1.521   2.651
  121    HE1  HIS  19           1HE      HIS  19  -1.702   2.659  -0.919
  122    HE2  HIS  19           2HE      HIS  19  -1.418   3.170   1.551
  123    H    MET  20           H        MET  20   2.702   1.200   1.976
  124    HA   MET  20           HA       MET  20   2.368   3.663   0.806
  125   1HB   MET  20          2HB       MET  20   2.883   2.894   3.298
  126   2HB   MET  20          1HB       MET  20   4.505   3.419   2.868
  127   1HG   MET  20          2HG       MET  20   3.588   5.619   2.237
  128   2HG   MET  20          1HG       MET  20   1.998   5.081   2.776
  129   1HE   MET  20          1HE       MET  20   1.587   5.313   6.066
  130   2HE   MET  20          2HE       MET  20   1.108   5.794   4.438
  131   3HE   MET  20          3HE       MET  20   1.844   6.972   5.524
  132    H    THR  21           H        THR  21   5.074   1.534   0.461
  133    HA   THR  21           HA       THR  21   7.148   3.252  -0.139
  134    HB   THR  21           HB       THR  21   7.357   0.799   0.054
  135    HG1  THR  21           1HG      THR  21   8.970   2.061  -1.036
  136   1HG2  THR  21          1HG2      THR  21   6.644   0.417  -2.791
  137   2HG2  THR  21          2HG2      THR  21   5.329   0.489  -1.617
  138   3HG2  THR  21          3HG2      THR  21   6.603  -0.720  -1.444
  139    H    HIS  22           H        HIS  22   4.295   2.619  -2.004
  140    HA   HIS  22           HA       HIS  22   5.387   4.307  -4.166
  141   1HB   HIS  22          2HB       HIS  22   3.643   2.984  -5.607
  142   2HB   HIS  22          1HB       HIS  22   5.225   2.284  -5.284
  143    HD1  HIS  22           1HD      HIS  22   5.045  -0.098  -4.768
  144    HD2  HIS  22           2HD      HIS  22   1.740   1.995  -3.325
  145    HE1  HIS  22           1HE      HIS  22   3.589  -1.814  -3.656
  146    HE2  HIS  22           2HE      HIS  22   1.723  -0.486  -2.622
  147    H    CYS  23           H        CYS  23   2.629   3.326  -2.279
  148    HA   CYS  23           HA       CYS  23   0.854   5.244  -3.480
  149   1HB   CYS  23          2HB       CYS  23   0.698   3.135  -1.382
  150   2HB   CYS  23          1HB       CYS  23  -0.539   4.377  -1.413
  151    H    ALA  24           H        ALA  24   1.612   7.292  -3.056
  152    HA   ALA  24           HA       ALA  24   1.181   8.265  -0.367
  153   1HB   ALA  24          1HB       ALA  24   3.809   9.063  -1.493
  154   2HB   ALA  24          2HB       ALA  24   3.676   7.465  -0.758
  155   3HB   ALA  24          3HB       ALA  24   3.297   8.905   0.187
  156    H    LYS  25           H        LYS  25  -0.497   9.007  -2.100
  157    HA   LYS  25           HA       LYS  25   0.256  11.733  -2.833
  158   1HB   LYS  25          2HB       LYS  25   0.316   9.884  -4.776
  159   2HB   LYS  25          1HB       LYS  25  -1.397  10.277  -4.824
  160   1HG   LYS  25          2HG       LYS  25  -1.041  12.345  -5.663
  161   2HG   LYS  25          1HG       LYS  25   0.477  12.560  -4.788
  162   1HD   LYS  25          2HD       LYS  25   1.104  12.413  -7.045
  163   2HD   LYS  25          1HD       LYS  25   1.442  10.813  -6.382
  164   1HE   LYS  25          2HE       LYS  25  -1.104  10.468  -7.198
  165   2HE   LYS  25          1HE       LYS  25  -0.560  11.661  -8.376
  166   1HZ   LYS  25          1HZ       LYS  25   1.394  10.146  -8.754
  167   2HZ   LYS  25          2HZ       LYS  25  -0.097   9.562  -9.295
  168   3HZ   LYS  25          3HZ       LYS  25   0.568   8.972  -7.857
  Start of MODEL   12
    1   1H    ALA   1          1HT       ALA   1  -1.882   5.741   4.606
    2   2H    ALA   1          2HT       ALA   1  -3.262   5.232   3.722
    3   3H    ALA   1          3HT       ALA   1  -1.714   5.224   2.981
    4    HA   ALA   1           HA       ALA   1  -0.960   3.529   4.394
    5   1HB   ALA   1          1HB       ALA   1  -1.850   3.716   6.466
    6   2HB   ALA   1          2HB       ALA   1  -2.964   2.504   5.833
    7   3HB   ALA   1          3HB       ALA   1  -3.434   4.203   5.865
    8    H    VAL   2           H        VAL   2  -1.557   1.223   4.162
    9    HA   VAL   2           HA       VAL   2  -2.501   0.663   1.588
   10    HB   VAL   2           HB       VAL   2  -0.986  -0.830   2.835
   11   1HG1  VAL   2          1HG1      VAL   2  -1.564  -2.025   4.704
   12   2HG1  VAL   2          2HG1      VAL   2  -3.288  -1.986   4.330
   13   3HG1  VAL   2          3HG1      VAL   2  -2.491  -0.548   4.968
   14   1HG2  VAL   2          1HG2      VAL   2  -1.747  -2.075   1.114
   15   2HG2  VAL   2          2HG2      VAL   2  -3.440  -1.741   1.480
   16   3HG2  VAL   2          3HG2      VAL   2  -2.567  -2.972   2.393
   17    H    SER   3           H        SER   3  -4.141   0.785   4.675
   18    HA   SER   3           HA       SER   3  -6.481  -0.601   4.007
   19   1HB   SER   3          2HB       SER   3  -5.715   1.400   6.069
   20   2HB   SER   3          1HB       SER   3  -7.438   1.166   5.783
   21    HG   SER   3           HG       SER   3  -6.651  -0.256   7.385
   22    H    ALA   4           H        ALA   4  -5.439   2.657   3.308
   23    HA   ALA   4           HA       ALA   4  -8.038   3.218   2.048
   24   1HB   ALA   4          1HB       ALA   4  -7.745   4.990   3.458
   25   2HB   ALA   4          2HB       ALA   4  -6.950   5.619   2.014
   26   3HB   ALA   4          3HB       ALA   4  -5.986   4.946   3.328
   27    H    CYS   5           H        CYS   5  -5.689   1.646   0.966
   28    HA   CYS   5           HA       CYS   5  -4.560   3.236  -1.125
   29   1HB   CYS   5          2HB       CYS   5  -3.332   1.331  -0.264
   30   2HB   CYS   5          1HB       CYS   5  -4.636   0.240  -0.709
   31    H    ALA   6           H        ALA   6  -5.209   3.496  -3.187
   32    HA   ALA   6           HA       ALA   6  -7.868   2.524  -3.878
   33   1HB   ALA   6          1HB       ALA   6  -7.439   4.073  -5.909
   34   2HB   ALA   6          2HB       ALA   6  -6.081   4.669  -4.954
   35   3HB   ALA   6          3HB       ALA   6  -7.724   4.792  -4.324
   36    H    LEU   7           H        LEU   7  -4.554   1.922  -4.640
   37    HA   LEU   7           HA       LEU   7  -4.944   0.775  -7.212
   38   1HB   LEU   7          2HB       LEU   7  -2.737   0.672  -5.187
   39   2HB   LEU   7          1HB       LEU   7  -2.678  -0.335  -6.619
   40    HG   LEU   7           HG       LEU   7  -3.208   2.522  -7.117
   41   1HD1  LEU   7          1HD1      LEU   7  -0.879   1.616  -5.576
   42   2HD1  LEU   7          2HD1      LEU   7  -1.587   3.224  -5.732
   43   3HD1  LEU   7          3HD1      LEU   7  -0.505   2.612  -6.984
   44   1HD2  LEU   7          1HD2      LEU   7  -2.839   0.674  -8.819
   45   2HD2  LEU   7          2HD2      LEU   7  -1.144   0.706  -8.332
   46   3HD2  LEU   7          3HD2      LEU   7  -1.889   2.144  -9.030
   47    HA   PRO   8           HA       PRO   8  -6.653  -3.100  -5.808
   48   1HB   PRO   8          2HB       PRO   8  -6.797  -4.345  -8.186
   49   2HB   PRO   8          1HB       PRO   8  -7.875  -3.007  -7.769
   50   1HG   PRO   8          2HG       PRO   8  -5.398  -2.990  -9.448
   51   2HG   PRO   8          1HG       PRO   8  -6.949  -2.182  -9.736
   52   1HD   PRO   8          2HD       PRO   8  -4.752  -0.919  -8.707
   53   2HD   PRO   8          1HD       PRO   8  -6.420  -0.415  -8.373
   54    H    LYS   9           H        LYS   9  -5.776  -4.943  -5.050
   55    HA   LYS   9           HA       LYS   9  -4.236  -6.545  -4.563
   56   1HB   LYS   9          2HB       LYS   9  -3.773  -6.241  -7.528
   57   2HB   LYS   9          1HB       LYS   9  -2.941  -7.450  -6.559
   58   1HG   LYS   9          2HG       LYS   9  -5.877  -7.383  -6.302
   59   2HG   LYS   9          1HG       LYS   9  -5.239  -7.906  -7.862
   60   1HD   LYS   9          2HD       LYS   9  -4.262  -9.785  -6.987
   61   2HD   LYS   9          1HD       LYS   9  -4.044  -9.058  -5.392
   62   1HE   LYS   9          2HE       LYS   9  -6.836  -9.427  -6.255
   63   2HE   LYS   9          1HE       LYS   9  -5.925 -10.911  -5.975
   64   1HZ   LYS   9          1HZ       LYS   9  -7.193  -9.596  -4.055
   65   2HZ   LYS   9          2HZ       LYS   9  -5.679  -8.853  -3.937
   66   3HZ   LYS   9          3HZ       LYS   9  -5.812 -10.532  -3.772
   67    H    CYS  10           H        CYS  10  -3.505  -3.712  -4.316
   68    HA   CYS  10           HA       CYS  10  -0.839  -3.275  -5.114
   69   1HB   CYS  10          2HB       CYS  10  -2.586  -1.587  -4.244
   70   2HB   CYS  10          1HB       CYS  10  -2.057  -2.073  -2.637
   71    H    ALA  11           H        ALA  11  -2.198  -4.379  -2.016
   72    HA   ALA  11           HA       ALA  11   0.255  -4.703  -0.684
   73   1HB   ALA  11          1HB       ALA  11  -0.956  -5.902   0.973
   74   2HB   ALA  11          2HB       ALA  11  -2.241  -6.303  -0.165
   75   3HB   ALA  11          3HB       ALA  11  -2.024  -4.636   0.368
   76    H    ALA  12           H        ALA  12   1.481  -6.563  -0.235
   77    HA   ALA  12           HA       ALA  12   1.249  -8.661  -2.289
   78   1HB   ALA  12          1HB       ALA  12   3.755  -8.211  -0.733
   79   2HB   ALA  12          2HB       ALA  12   3.341  -7.119  -2.055
   80   3HB   ALA  12          3HB       ALA  12   3.542  -8.843  -2.366
   81    H    ALA  13           H        ALA  13   1.335  -8.029   1.118
   82    HA   ALA  13           HA       ALA  13   0.399 -10.627   1.751
   83   1HB   ALA  13          1HB       ALA  13   2.210 -11.640   2.766
   84   2HB   ALA  13          2HB       ALA  13   3.085 -10.120   2.956
   85   3HB   ALA  13          3HB       ALA  13   2.957 -10.871   1.365
   86    H    ALA  14           H        ALA  14  -0.357  -7.904   2.212
   87    HA   ALA  14           HA       ALA  14  -1.295  -6.644   3.857
   88   1HB   ALA  14          1HB       ALA  14  -0.643  -8.941   5.700
   89   2HB   ALA  14          2HB       ALA  14  -2.089  -8.837   4.695
   90   3HB   ALA  14          3HB       ALA  14  -1.820  -7.657   5.977
   91    H    ASN  15           H        ASN  15   1.022  -5.698   3.253
   92    HA   ASN  15           HA       ASN  15   2.247  -5.003   5.826
   93   1HB   ASN  15          2HB       ASN  15   3.521  -6.733   4.156
   94   2HB   ASN  15          1HB       ASN  15   4.131  -5.194   3.555
   95   1HD2  ASN  15          1HD2      ASN  15   4.911  -3.682   5.294
   96   2HD2  ASN  15          2HD2      ASN  15   5.837  -4.382   6.574
   97    H    VAL  16           H        VAL  16   1.458  -3.046   5.935
   98    HA   VAL  16           HA       VAL  16   0.892  -1.176   4.057
   99    HB   VAL  16           HB       VAL  16   1.790  -1.077   6.881
  100   1HG1  VAL  16          1HG1      VAL  16   2.994   0.833   6.165
  101   2HG1  VAL  16          2HG1      VAL  16   1.486   1.450   6.839
  102   3HG1  VAL  16          3HG1      VAL  16   1.692   1.346   5.091
  103   1HG2  VAL  16          1HG2      VAL  16  -0.380   0.031   7.172
  104   2HG2  VAL  16          2HG2      VAL  16  -0.530  -1.514   6.335
  105   3HG2  VAL  16          3HG2      VAL  16  -0.623  -0.005   5.425
  106    H    ALA  17           H        ALA  17   4.084  -1.868   5.433
  107    HA   ALA  17           HA       ALA  17   5.510   0.269   4.367
  108   1HB   ALA  17          1HB       ALA  17   6.439  -1.283   6.017
  109   2HB   ALA  17          2HB       ALA  17   7.498  -1.122   4.616
  110   3HB   ALA  17          3HB       ALA  17   6.485  -2.555   4.795
  111    H    ALA  18           H        ALA  18   4.976  -2.961   2.965
  112    HA   ALA  18           HA       ALA  18   6.343  -2.513   0.558
  113   1HB   ALA  18          1HB       ALA  18   5.255  -4.681   1.647
  114   2HB   ALA  18          2HB       ALA  18   5.589  -4.563  -0.081
  115   3HB   ALA  18          3HB       ALA  18   3.957  -4.275   0.523
  116    H    HIS  19           H        HIS  19   3.267  -1.423   1.668
  117    HA   HIS  19           HA       HIS  19   2.322  -0.782  -0.998
  118   1HB   HIS  19          2HB       HIS  19   0.465  -1.387   0.184
  119   2HB   HIS  19          1HB       HIS  19   1.139  -0.853   1.719
  120    HD2  HIS  19           2HD      HIS  19   0.248   1.504   2.619
  121    HE1  HIS  19           1HE      HIS  19  -1.566   2.805  -0.967
  122    HE2  HIS  19           2HE      HIS  19  -1.052   3.408   1.435
  123    H    MET  20           H        MET  20   2.717   1.127   2.005
  124    HA   MET  20           HA       MET  20   2.489   3.636   0.907
  125   1HB   MET  20          2HB       MET  20   2.790   2.896   3.372
  126   2HB   MET  20          1HB       MET  20   4.510   3.098   3.064
  127   1HG   MET  20          2HG       MET  20   4.135   5.185   3.776
  128   2HG   MET  20          1HG       MET  20   3.579   5.442   2.122
  129   1HE   MET  20          1HE       MET  20   1.467   7.038   5.323
  130   2HE   MET  20          2HE       MET  20   2.014   7.724   3.793
  131   3HE   MET  20          3HE       MET  20   3.158   6.887   4.844
  132    H    THR  21           H        THR  21   5.138   1.433   0.570
  133    HA   THR  21           HA       THR  21   7.281   3.099   0.081
  134    HB   THR  21           HB       THR  21   7.406   0.635   0.197
  135    HG1  THR  21           1HG      THR  21   8.468   1.809  -2.154
  136   1HG2  THR  21          1HG2      THR  21   5.412   0.388  -1.473
  137   2HG2  THR  21          2HG2      THR  21   6.707  -0.809  -1.426
  138   3HG2  THR  21          3HG2      THR  21   6.696   0.429  -2.681
  139    H    HIS  22           H        HIS  22   4.465   2.612  -1.885
  140    HA   HIS  22           HA       HIS  22   5.668   4.339  -3.956
  141   1HB   HIS  22          2HB       HIS  22   3.929   3.120  -5.489
  142   2HB   HIS  22          1HB       HIS  22   5.477   2.359  -5.144
  143    HD1  HIS  22           1HD      HIS  22   5.201  -0.034  -4.727
  144    HD2  HIS  22           2HD      HIS  22   1.934   2.119  -3.287
  145    HE1  HIS  22           1HE      HIS  22   3.660  -1.736  -3.713
  146    HE2  HIS  22           2HE      HIS  22   1.816  -0.384  -2.675
  147    H    CYS  23           H        CYS  23   2.834   3.383  -2.175
  148    HA   CYS  23           HA       CYS  23   1.151   5.396  -3.354
  149   1HB   CYS  23          2HB       CYS  23   0.870   3.221  -1.335
  150   2HB   CYS  23          1HB       CYS  23  -0.331   4.498  -1.369
  151    H    ALA  24           H        ALA  24   1.571   7.453  -2.808
  152    HA   ALA  24           HA       ALA  24   1.247   8.289  -0.089
  153   1HB   ALA  24          1HB       ALA  24   3.471   7.843   0.327
  154   2HB   ALA  24          2HB       ALA  24   3.538   9.530  -0.184
  155   3HB   ALA  24          3HB       ALA  24   3.969   8.247  -1.316
  156    H    LYS  25           H        LYS  25   0.070   8.772  -2.712
  157    HA   LYS  25           HA       LYS  25   0.675  11.626  -3.080
  158   1HB   LYS  25          2HB       LYS  25   0.750   9.867  -5.015
  159   2HB   LYS  25          1HB       LYS  25  -1.000  10.036  -4.989
  160   1HG   LYS  25          2HG       LYS  25  -0.948  12.163  -5.800
  161   2HG   LYS  25          1HG       LYS  25   0.632  12.512  -5.098
  162   1HD   LYS  25          2HD       LYS  25   1.350  12.293  -7.222
  163   2HD   LYS  25          1HD       LYS  25   1.282  10.566  -6.865
  164   1HE   LYS  25          2HE       LYS  25  -1.071  12.068  -7.976
  165   2HE   LYS  25          1HE       LYS  25   0.165  11.362  -9.015
  166   1HZ   LYS  25          1HZ       LYS  25  -0.306   9.207  -7.869
  167   2HZ   LYS  25          2HZ       LYS  25  -1.575   9.792  -8.822
  168   3HZ   LYS  25          3HZ       LYS  25  -1.642   9.945  -7.139
  Start of MODEL   13
    1   1H    ALA   1          1HT       ALA   1  -1.207   4.793   2.947
    2   2H    ALA   1          2HT       ALA   1  -1.731   5.339   4.487
    3   3H    ALA   1          3HT       ALA   1  -2.881   4.857   3.308
    4    HA   ALA   1           HA       ALA   1  -0.831   3.019   4.291
    5   1HB   ALA   1          1HB       ALA   1  -1.981   3.903   6.256
    6   2HB   ALA   1          2HB       ALA   1  -2.418   2.219   5.963
    7   3HB   ALA   1          3HB       ALA   1  -3.538   3.509   5.527
    8    H    VAL   2           H        VAL   2  -1.562   0.799   4.028
    9    HA   VAL   2           HA       VAL   2  -2.595   0.286   1.481
   10    HB   VAL   2           HB       VAL   2  -1.167  -1.303   2.700
   11   1HG1  VAL   2          1HG1      VAL   2  -2.460  -0.904   4.892
   12   2HG1  VAL   2          2HG1      VAL   2  -1.841  -2.522   4.562
   13   3HG1  VAL   2          3HG1      VAL   2  -3.548  -2.160   4.301
   14   1HG2  VAL   2          1HG2      VAL   2  -3.829  -2.535   2.000
   15   2HG2  VAL   2          2HG2      VAL   2  -2.250  -3.322   1.970
   16   3HG2  VAL   2          3HG2      VAL   2  -2.617  -2.036   0.820
   17    H    SER   3           H        SER   3  -4.176   0.614   4.574
   18    HA   SER   3           HA       SER   3  -6.625  -0.626   3.920
   19   1HB   SER   3          2HB       SER   3  -5.589   0.358   6.209
   20   2HB   SER   3          1HB       SER   3  -6.685   1.675   5.790
   21    HG   SER   3           HG       SER   3  -7.463  -1.050   5.880
   22    H    ALA   4           H        ALA   4  -5.339   2.563   3.313
   23    HA   ALA   4           HA       ALA   4  -7.906   3.371   2.121
   24   1HB   ALA   4          1HB       ALA   4  -5.646   4.938   3.302
   25   2HB   ALA   4          2HB       ALA   4  -7.367   5.004   3.679
   26   3HB   ALA   4          3HB       ALA   4  -6.768   5.689   2.168
   27    H    CYS   5           H        CYS   5  -5.647   1.678   0.965
   28    HA   CYS   5           HA       CYS   5  -4.516   3.277  -1.131
   29   1HB   CYS   5          2HB       CYS   5  -3.299   1.351  -0.284
   30   2HB   CYS   5          1HB       CYS   5  -4.613   0.279  -0.742
   31    H    ALA   6           H        ALA   6  -5.170   3.499  -3.207
   32    HA   ALA   6           HA       ALA   6  -7.862   2.567  -3.839
   33   1HB   ALA   6          1HB       ALA   6  -7.859   4.757  -4.419
   34   2HB   ALA   6          2HB       ALA   6  -7.252   4.102  -5.939
   35   3HB   ALA   6          3HB       ALA   6  -6.129   4.779  -4.760
   36    H    LEU   7           H        LEU   7  -4.569   1.933  -4.655
   37    HA   LEU   7           HA       LEU   7  -5.004   0.791  -7.220
   38   1HB   LEU   7          2HB       LEU   7  -2.776   0.643  -5.217
   39   2HB   LEU   7          1HB       LEU   7  -2.747  -0.349  -6.663
   40    HG   LEU   7           HG       LEU   7  -3.253   2.508  -7.152
   41   1HD1  LEU   7          1HD1      LEU   7  -0.566   2.636  -6.978
   42   2HD1  LEU   7          2HD1      LEU   7  -0.927   1.606  -5.593
   43   3HD1  LEU   7          3HD1      LEU   7  -1.664   3.203  -5.719
   44   1HD2  LEU   7          1HD2      LEU   7  -1.903   2.133  -9.043
   45   2HD2  LEU   7          2HD2      LEU   7  -2.847   0.656  -8.844
   46   3HD2  LEU   7          3HD2      LEU   7  -1.160   0.701  -8.331
   47    HA   PRO   8           HA       PRO   8  -6.716  -3.082  -5.836
   48   1HB   PRO   8          2HB       PRO   8  -6.827  -4.342  -8.203
   49   2HB   PRO   8          1HB       PRO   8  -7.896  -2.985  -7.823
   50   1HG   PRO   8          2HG       PRO   8  -5.385  -3.021  -9.451
   51   2HG   PRO   8          1HG       PRO   8  -6.917  -2.192  -9.777
   52   1HD   PRO   8          2HD       PRO   8  -4.714  -0.962  -8.706
   53   2HD   PRO   8          1HD       PRO   8  -6.380  -0.416  -8.434
   54    H    LYS   9           H        LYS   9  -5.834  -4.882  -5.003
   55    HA   LYS   9           HA       LYS   9  -4.308  -6.483  -4.470
   56   1HB   LYS   9          2HB       LYS   9  -3.942  -6.281  -7.448
   57   2HB   LYS   9          1HB       LYS   9  -2.981  -7.396  -6.487
   58   1HG   LYS   9          2HG       LYS   9  -5.425  -8.047  -5.603
   59   2HG   LYS   9          1HG       LYS   9  -5.832  -7.502  -7.232
   60   1HD   LYS   9          2HD       LYS   9  -4.808  -9.259  -8.213
   61   2HD   LYS   9          1HD       LYS   9  -3.489  -9.276  -7.040
   62   1HE   LYS   9          2HE       LYS   9  -6.284 -10.269  -6.493
   63   2HE   LYS   9          1HE       LYS   9  -4.931 -11.300  -6.963
   64   1HZ   LYS   9          1HZ       LYS   9  -5.582 -10.803  -4.439
   65   2HZ   LYS   9          2HZ       LYS   9  -4.475  -9.550  -4.688
   66   3HZ   LYS   9          3HZ       LYS   9  -4.002 -11.155  -4.931
   67    H    CYS  10           H        CYS  10  -3.548  -3.657  -4.300
   68    HA   CYS  10           HA       CYS  10  -0.883  -3.262  -5.124
   69   1HB   CYS  10          2HB       CYS  10  -2.585  -1.522  -4.311
   70   2HB   CYS  10          1HB       CYS  10  -2.113  -1.994  -2.683
   71    H    ALA  11           H        ALA  11  -2.253  -4.366  -2.039
   72    HA   ALA  11           HA       ALA  11   0.173  -4.625  -0.652
   73   1HB   ALA  11          1HB       ALA  11  -1.040  -5.914   0.953
   74   2HB   ALA  11          2HB       ALA  11  -2.301  -6.290  -0.223
   75   3HB   ALA  11          3HB       ALA  11  -2.108  -4.638   0.365
   76    H    ALA  12           H        ALA  12   1.442  -6.454  -0.178
   77    HA   ALA  12           HA       ALA  12   1.343  -8.533  -2.259
   78   1HB   ALA  12          1HB       ALA  12   3.806  -8.850  -1.456
   79   2HB   ALA  12          2HB       ALA  12   3.602  -7.215  -0.824
   80   3HB   ALA  12          3HB       ALA  12   3.393  -7.527  -2.548
   81    H    ALA  13           H        ALA  13   1.330  -7.937   1.159
   82    HA   ALA  13           HA       ALA  13   0.422 -10.551   1.749
   83   1HB   ALA  13          1HB       ALA  13   2.520 -10.883   3.358
   84   2HB   ALA  13          2HB       ALA  13   3.314  -9.992   2.060
   85   3HB   ALA  13          3HB       ALA  13   2.481 -11.507   1.710
   86    H    ALA  14           H        ALA  14  -0.356  -7.840   2.246
   87    HA   ALA  14           HA       ALA  14  -1.325  -6.621   3.905
   88   1HB   ALA  14          1HB       ALA  14  -0.626  -8.784   5.866
   89   2HB   ALA  14          2HB       ALA  14  -1.936  -8.972   4.699
   90   3HB   ALA  14          3HB       ALA  14  -1.994  -7.671   5.889
   91    H    ASN  15           H        ASN  15   0.980  -5.634   3.313
   92    HA   ASN  15           HA       ASN  15   2.171  -4.917   5.893
   93   1HB   ASN  15          2HB       ASN  15   3.511  -6.697   4.464
   94   2HB   ASN  15          1HB       ASN  15   4.007  -5.272   3.555
   95   1HD2  ASN  15          1HD2      ASN  15   5.776  -6.887   4.970
   96   2HD2  ASN  15          2HD2      ASN  15   6.437  -5.971   6.277
   97    H    VAL  16           H        VAL  16   1.402  -2.954   5.966
   98    HA   VAL  16           HA       VAL  16   0.855  -1.113   4.053
   99    HB   VAL  16           HB       VAL  16   1.729  -0.971   6.884
  100   1HG1  VAL  16          1HG1      VAL  16   1.573   1.456   5.092
  101   2HG1  VAL  16          2HG1      VAL  16   2.949   0.919   6.054
  102   3HG1  VAL  16          3HG1      VAL  16   1.500   1.529   6.852
  103   1HG2  VAL  16          1HG2      VAL  16  -0.436  -0.368   7.293
  104   2HG2  VAL  16          2HG2      VAL  16  -0.653  -1.290   5.805
  105   3HG2  VAL  16          3HG2      VAL  16  -0.613   0.473   5.753
  106    H    ALA  17           H        ALA  17   4.031  -1.803   5.459
  107    HA   ALA  17           HA       ALA  17   5.477   0.315   4.383
  108   1HB   ALA  17          1HB       ALA  17   6.673  -2.423   4.576
  109   2HB   ALA  17          2HB       ALA  17   6.200  -1.548   6.033
  110   3HB   ALA  17          3HB       ALA  17   7.401  -0.858   4.939
  111    H    ALA  18           H        ALA  18   4.937  -2.925   3.005
  112    HA   ALA  18           HA       ALA  18   6.320  -2.507   0.604
  113   1HB   ALA  18          1HB       ALA  18   5.584  -4.717   1.462
  114   2HB   ALA  18          2HB       ALA  18   5.170  -4.448  -0.231
  115   3HB   ALA  18          3HB       ALA  18   3.930  -4.299   1.015
  116    H    HIS  19           H        HIS  19   3.246  -1.383   1.684
  117    HA   HIS  19           HA       HIS  19   2.324  -0.756  -0.993
  118   1HB   HIS  19          2HB       HIS  19   0.455  -1.337   0.180
  119   2HB   HIS  19          1HB       HIS  19   1.123  -0.799   1.716
  120    HD2  HIS  19           2HD      HIS  19   0.246   1.573   2.594
  121    HE1  HIS  19           1HE      HIS  19  -1.544   2.859  -1.010
  122    HE2  HIS  19           2HE      HIS  19  -1.035   3.476   1.390
  123    H    MET  20           H        MET  20   2.706   1.175   1.998
  124    HA   MET  20           HA       MET  20   2.508   3.676   0.883
  125   1HB   MET  20          2HB       MET  20   2.952   2.792   3.371
  126   2HB   MET  20          1HB       MET  20   4.577   3.345   2.988
  127   1HG   MET  20          2HG       MET  20   3.780   5.563   2.550
  128   2HG   MET  20          1HG       MET  20   2.106   5.042   2.731
  129   1HE   MET  20          1HE       MET  20   2.874   7.461   5.653
  130   2HE   MET  20          2HE       MET  20   1.360   6.736   5.111
  131   3HE   MET  20          3HE       MET  20   2.521   7.342   3.929
  132    H    THR  21           H        THR  21   5.145   1.453   0.579
  133    HA   THR  21           HA       THR  21   7.299   3.100   0.083
  134    HB   THR  21           HB       THR  21   7.408   0.636   0.222
  135    HG1  THR  21           1HG      THR  21   9.174   0.642  -0.929
  136   1HG2  THR  21          1HG2      THR  21   5.423   0.408  -1.478
  137   2HG2  THR  21          2HG2      THR  21   6.686  -0.817  -1.370
  138   3HG2  THR  21          3HG2      THR  21   6.735   0.388  -2.656
  139    H    HIS  22           H        HIS  22   4.492   2.611  -1.895
  140    HA   HIS  22           HA       HIS  22   5.717   4.311  -3.973
  141   1HB   HIS  22          2HB       HIS  22   3.984   3.092  -5.509
  142   2HB   HIS  22          1HB       HIS  22   5.520   2.317  -5.140
  143    HD1  HIS  22           1HD      HIS  22   5.203  -0.070  -4.724
  144    HD2  HIS  22           2HD      HIS  22   1.966   2.136  -3.299
  145    HE1  HIS  22           1HE      HIS  22   3.635  -1.746  -3.707
  146    HE2  HIS  22           2HE      HIS  22   1.811  -0.361  -2.675
  147    H    CYS  23           H        CYS  23   2.871   3.398  -2.191
  148    HA   CYS  23           HA       CYS  23   1.209   5.410  -3.403
  149   1HB   CYS  23          2HB       CYS  23   0.899   3.254  -1.369
  150   2HB   CYS  23          1HB       CYS  23  -0.292   4.540  -1.419
  151    H    ALA  24           H        ALA  24   1.505   7.476  -2.851
  152    HA   ALA  24           HA       ALA  24   1.364   8.250  -0.075
  153   1HB   ALA  24          1HB       ALA  24   3.762   9.237  -1.582
  154   2HB   ALA  24          2HB       ALA  24   3.822   7.757  -0.625
  155   3HB   ALA  24          3HB       ALA  24   3.439   9.293   0.151
  156    H    LYS  25           H        LYS  25  -0.212   8.624  -2.486
  157    HA   LYS  25           HA       LYS  25   0.106  11.482  -3.037
  158   1HB   LYS  25          2HB       LYS  25  -1.260   9.218  -4.414
  159   2HB   LYS  25          1HB       LYS  25  -1.908  10.836  -4.644
  160   1HG   LYS  25          2HG       LYS  25  -0.137  11.523  -5.874
  161   2HG   LYS  25          1HG       LYS  25   1.010  10.508  -4.995
  162   1HD   LYS  25          2HD       LYS  25   0.628   8.690  -6.323
  163   2HD   LYS  25          1HD       LYS  25  -1.039   9.156  -6.668
  164   1HE   LYS  25          2HE       LYS  25   1.059  10.955  -7.704
  165   2HE   LYS  25          1HE       LYS  25   0.971   9.359  -8.447
  166   1HZ   LYS  25          1HZ       LYS  25  -1.087   9.770  -9.307
  167   2HZ   LYS  25          2HZ       LYS  25  -0.454  11.338  -9.345
  168   3HZ   LYS  25          3HZ       LYS  25  -1.510  10.882  -8.104
  Start of MODEL   14
    1   1H    ALA   1          1HT       ALA   1  -1.101   4.921   2.970
    2   2H    ALA   1          2HT       ALA   1  -1.763   5.667   4.366
    3   3H    ALA   1          3HT       ALA   1  -2.795   5.150   3.096
    4    HA   ALA   1           HA       ALA   1  -1.060   3.293   4.547
    5   1HB   ALA   1          1HB       ALA   1  -2.575   4.614   6.091
    6   2HB   ALA   1          2HB       ALA   1  -2.748   2.859   6.133
    7   3HB   ALA   1          3HB       ALA   1  -3.927   3.842   5.263
    8    H    VAL   2           H        VAL   2  -1.582   1.147   4.130
    9    HA   VAL   2           HA       VAL   2  -2.532   0.546   1.567
   10    HB   VAL   2           HB       VAL   2  -1.019  -0.933   2.828
   11   1HG1  VAL   2          1HG1      VAL   2  -2.297  -0.629   5.005
   12   2HG1  VAL   2          2HG1      VAL   2  -1.703  -2.252   4.651
   13   3HG1  VAL   2          3HG1      VAL   2  -3.405  -1.860   4.401
   14   1HG2  VAL   2          1HG2      VAL   2  -1.867  -2.977   2.003
   15   2HG2  VAL   2          2HG2      VAL   2  -2.493  -1.727   0.928
   16   3HG2  VAL   2          3HG2      VAL   2  -3.537  -2.435   2.161
   17    H    SER   3           H        SER   3  -4.174   0.763   4.641
   18    HA   SER   3           HA       SER   3  -6.522  -0.637   3.980
   19   1HB   SER   3          2HB       SER   3  -7.550   0.605   5.857
   20   2HB   SER   3          1HB       SER   3  -5.973  -0.056   6.291
   21    HG   SER   3           HG       SER   3  -5.144   1.917   6.365
   22    H    ALA   4           H        ALA   4  -5.459   2.624   3.314
   23    HA   ALA   4           HA       ALA   4  -8.053   3.208   2.052
   24   1HB   ALA   4          1HB       ALA   4  -6.012   4.901   3.384
   25   2HB   ALA   4          2HB       ALA   4  -7.773   4.981   3.452
   26   3HB   ALA   4          3HB       ALA   4  -6.916   5.604   2.042
   27    H    CYS   5           H        CYS   5  -5.686   1.645   0.971
   28    HA   CYS   5           HA       CYS   5  -4.551   3.246  -1.105
   29   1HB   CYS   5          2HB       CYS   5  -3.332   1.332  -0.259
   30   2HB   CYS   5          1HB       CYS   5  -4.639   0.249  -0.710
   31    H    ALA   6           H        ALA   6  -5.182   3.517  -3.174
   32    HA   ALA   6           HA       ALA   6  -7.848   2.577  -3.881
   33   1HB   ALA   6          1HB       ALA   6  -7.978   4.329  -5.357
   34   2HB   ALA   6          2HB       ALA   6  -6.242   4.344  -5.663
   35   3HB   ALA   6          3HB       ALA   6  -6.876   4.997  -4.152
   36    H    LEU   7           H        LEU   7  -4.535   1.952  -4.640
   37    HA   LEU   7           HA       LEU   7  -4.932   0.805  -7.209
   38   1HB   LEU   7          2HB       LEU   7  -2.725   0.692  -5.184
   39   2HB   LEU   7          1HB       LEU   7  -2.674  -0.322  -6.613
   40    HG   LEU   7           HG       LEU   7  -3.184   2.539  -7.119
   41   1HD1  LEU   7          1HD1      LEU   7  -0.477   2.598  -6.992
   42   2HD1  LEU   7          2HD1      LEU   7  -0.862   1.621  -5.576
   43   3HD1  LEU   7          3HD1      LEU   7  -1.550   3.236  -5.747
   44   1HD2  LEU   7          1HD2      LEU   7  -2.831   0.673  -8.812
   45   2HD2  LEU   7          2HD2      LEU   7  -1.133   0.713  -8.336
   46   3HD2  LEU   7          3HD2      LEU   7  -1.886   2.145  -9.038
   47    HA   PRO   8           HA       PRO   8  -6.667  -3.058  -5.803
   48   1HB   PRO   8          2HB       PRO   8  -6.822  -4.303  -8.180
   49   2HB   PRO   8          1HB       PRO   8  -7.890  -2.958  -7.762
   50   1HG   PRO   8          2HG       PRO   8  -5.413  -2.957  -9.442
   51   2HG   PRO   8          1HG       PRO   8  -6.960  -2.140  -9.730
   52   1HD   PRO   8          2HD       PRO   8  -4.755  -0.891  -8.702
   53   2HD   PRO   8          1HD       PRO   8  -6.420  -0.377  -8.368
   54    H    LYS   9           H        LYS   9  -5.805  -4.911  -5.047
   55    HA   LYS   9           HA       LYS   9  -4.278  -6.526  -4.563
   56   1HB   LYS   9          2HB       LYS   9  -3.380  -6.290  -7.432
   57   2HB   LYS   9          1HB       LYS   9  -3.289  -7.701  -6.386
   58   1HG   LYS   9          2HG       LYS   9  -5.921  -7.360  -6.345
   59   2HG   LYS   9          1HG       LYS   9  -5.581  -6.603  -7.903
   60   1HD   LYS   9          2HD       LYS   9  -5.781  -8.723  -8.659
   61   2HD   LYS   9          1HD       LYS   9  -4.099  -8.836  -8.138
   62   1HE   LYS   9          2HE       LYS   9  -6.567  -9.784  -6.708
   63   2HE   LYS   9          1HE       LYS   9  -5.181 -10.732  -7.243
   64   1HZ   LYS   9          1HZ       LYS   9  -5.199  -8.717  -5.062
   65   2HZ   LYS   9          2HZ       LYS   9  -3.820  -9.529  -5.611
   66   3HZ   LYS   9          3HZ       LYS   9  -5.076 -10.395  -4.880
   67    H    CYS  10           H        CYS  10  -3.528  -3.697  -4.304
   68    HA   CYS  10           HA       CYS  10  -0.857  -3.276  -5.093
   69   1HB   CYS  10          2HB       CYS  10  -2.601  -1.581  -4.220
   70   2HB   CYS  10          1HB       CYS  10  -2.066  -2.070  -2.617
   71    H    ALA  11           H        ALA  11  -2.229  -4.360  -1.993
   72    HA   ALA  11           HA       ALA  11   0.209  -4.705  -0.650
   73   1HB   ALA  11          1HB       ALA  11  -2.079  -4.645   0.384
   74   2HB   ALA  11          2HB       ALA  11  -1.017  -5.918   0.989
   75   3HB   ALA  11          3HB       ALA  11  -2.293  -6.308  -0.164
   76    H    ALA  12           H        ALA  12   1.464  -6.540  -0.241
   77    HA   ALA  12           HA       ALA  12   1.219  -8.648  -2.281
   78   1HB   ALA  12          1HB       ALA  12   3.542  -8.872  -2.306
   79   2HB   ALA  12          2HB       ALA  12   3.732  -8.046  -0.760
   80   3HB   ALA  12          3HB       ALA  12   3.283  -7.131  -2.199
   81    H    ALA  13           H        ALA  13   1.351  -8.000   1.120
   82    HA   ALA  13           HA       ALA  13   0.470 -10.614   1.775
   83   1HB   ALA  13          1HB       ALA  13   2.542 -11.540   1.720
   84   2HB   ALA  13          2HB       ALA  13   2.600 -10.881   3.354
   85   3HB   ALA  13          3HB       ALA  13   3.357 -10.005   2.023
   86    H    ALA  14           H        ALA  14  -0.343  -7.907   2.229
   87    HA   ALA  14           HA       ALA  14  -1.277  -6.645   3.874
   88   1HB   ALA  14          1HB       ALA  14  -1.169  -7.912   6.245
   89   2HB   ALA  14          2HB       ALA  14  -0.938  -9.279   5.156
   90   3HB   ALA  14          3HB       ALA  14  -2.372  -8.264   5.004
   91    H    ASN  15           H        ASN  15   1.030  -5.678   3.279
   92    HA   ASN  15           HA       ASN  15   2.246  -4.979   5.855
   93   1HB   ASN  15          2HB       ASN  15   3.619  -6.738   4.592
   94   2HB   ASN  15          1HB       ASN  15   3.945  -5.474   3.410
   95   1HD2  ASN  15          1HD2      ASN  15   6.176  -5.890   4.038
   96   2HD2  ASN  15          2HD2      ASN  15   6.820  -5.076   5.419
   97    H    VAL  16           H        VAL  16   1.460  -3.022   5.958
   98    HA   VAL  16           HA       VAL  16   0.892  -1.158   4.075
   99    HB   VAL  16           HB       VAL  16   1.795  -1.049   6.897
  100   1HG1  VAL  16          1HG1      VAL  16   3.001   0.856   6.084
  101   2HG1  VAL  16          2HG1      VAL  16   1.554   1.452   6.897
  102   3HG1  VAL  16          3HG1      VAL  16   1.617   1.398   5.135
  103   1HG2  VAL  16          1HG2      VAL  16  -0.366  -0.192   7.297
  104   2HG2  VAL  16          2HG2      VAL  16  -0.565  -1.460   6.087
  105   3HG2  VAL  16          3HG2      VAL  16  -0.597   0.236   5.602
  106    H    ALA  17           H        ALA  17   4.085  -1.849   5.444
  107    HA   ALA  17           HA       ALA  17   5.509   0.285   4.369
  108   1HB   ALA  17          1HB       ALA  17   6.256  -2.489   5.184
  109   2HB   ALA  17          2HB       ALA  17   6.723  -0.944   5.897
  110   3HB   ALA  17          3HB       ALA  17   7.444  -1.467   4.374
  111    H    ALA  18           H        ALA  18   4.967  -2.948   2.981
  112    HA   ALA  18           HA       ALA  18   6.333  -2.515   0.571
  113   1HB   ALA  18          1HB       ALA  18   5.345  -4.693   1.625
  114   2HB   ALA  18          2HB       ALA  18   5.482  -4.538  -0.127
  115   3HB   ALA  18          3HB       ALA  18   3.927  -4.279   0.662
  116    H    HIS  19           H        HIS  19   3.259  -1.415   1.681
  117    HA   HIS  19           HA       HIS  19   2.313  -0.780  -0.987
  118   1HB   HIS  19          2HB       HIS  19   0.458  -1.376   0.200
  119   2HB   HIS  19          1HB       HIS  19   1.133  -0.838   1.732
  120    HD2  HIS  19           2HD      HIS  19   0.245   1.523   2.624
  121    HE1  HIS  19           1HE      HIS  19  -1.566   2.815  -0.968
  122    HE2  HIS  19           2HE      HIS  19  -1.052   3.425   1.434
  123    H    MET  20           H        MET  20   2.714   1.138   2.010
  124    HA   MET  20           HA       MET  20   2.492   3.644   0.904
  125   1HB   MET  20          2HB       MET  20   2.981   2.731   3.389
  126   2HB   MET  20          1HB       MET  20   4.577   3.351   2.990
  127   1HG   MET  20          2HG       MET  20   2.085   4.992   2.677
  128   2HG   MET  20          1HG       MET  20   3.002   4.927   4.181
  129   1HE   MET  20          1HE       MET  20   2.752   7.664   3.565
  130   2HE   MET  20          2HE       MET  20   2.304   7.434   1.874
  131   3HE   MET  20          3HE       MET  20   3.703   8.425   2.290
  132    H    THR  21           H        THR  21   5.137   1.435   0.575
  133    HA   THR  21           HA       THR  21   7.282   3.095   0.078
  134    HB   THR  21           HB       THR  21   7.402   0.630   0.202
  135    HG1  THR  21           1HG      THR  21   9.038   1.965  -0.882
  136   1HG2  THR  21          1HG2      THR  21   6.683   0.427  -2.676
  137   2HG2  THR  21          2HG2      THR  21   5.409   0.375  -1.458
  138   3HG2  THR  21          3HG2      THR  21   6.709  -0.816  -1.426
  139    H    HIS  22           H        HIS  22   4.466   2.607  -1.885
  140    HA   HIS  22           HA       HIS  22   5.670   4.324  -3.962
  141   1HB   HIS  22          2HB       HIS  22   3.929   3.105  -5.490
  142   2HB   HIS  22          1HB       HIS  22   5.476   2.341  -5.143
  143    HD1  HIS  22           1HD      HIS  22   5.193  -0.049  -4.720
  144    HD2  HIS  22           2HD      HIS  22   1.933   2.116  -3.285
  145    HE1  HIS  22           1HE      HIS  22   3.648  -1.745  -3.701
  146    HE2  HIS  22           2HE      HIS  22   1.808  -0.385  -2.666
  147    H    CYS  23           H        CYS  23   2.836   3.381  -2.176
  148    HA   CYS  23           HA       CYS  23   1.157   5.393  -3.361
  149   1HB   CYS  23          2HB       CYS  23   0.872   3.226  -1.336
  150   2HB   CYS  23          1HB       CYS  23  -0.326   4.503  -1.375
  151    H    ALA  24           H        ALA  24   1.859   7.419  -2.842
  152    HA   ALA  24           HA       ALA  24   1.448   8.283  -0.115
  153   1HB   ALA  24          1HB       ALA  24   3.887   7.481  -0.373
  154   2HB   ALA  24          2HB       ALA  24   3.586   9.048   0.381
  155   3HB   ALA  24          3HB       ALA  24   4.113   8.963  -1.301
  156    H    LYS  25           H        LYS  25   0.189   8.795  -2.646
  157    HA   LYS  25           HA       LYS  25   0.996  11.492  -3.380
  158   1HB   LYS  25          2HB       LYS  25  -0.833   9.435  -4.511
  159   2HB   LYS  25          1HB       LYS  25  -1.188  11.120  -4.867
  160   1HG   LYS  25          2HG       LYS  25   0.715  11.403  -6.115
  161   2HG   LYS  25          1HG       LYS  25   1.580  10.107  -5.287
  162   1HD   LYS  25          2HD       LYS  25   0.745   8.502  -6.646
  163   2HD   LYS  25          1HD       LYS  25  -0.825   9.295  -6.789
  164   1HE   LYS  25          2HE       LYS  25   1.436  10.701  -8.050
  165   2HE   LYS  25          1HE       LYS  25   0.995   9.159  -8.782
  166   1HZ   LYS  25          1HZ       LYS  25  -1.184  10.995  -8.172
  167   2HZ   LYS  25          2HZ       LYS  25  -0.981   9.956  -9.492
  168   3HZ   LYS  25          3HZ       LYS  25  -0.159  11.434  -9.445
  Start of MODEL   15
    1   1H    ALA   1          1HT       ALA   1  -1.129   4.939   3.216
    2   2H    ALA   1          2HT       ALA   1  -1.610   5.691   4.681
    3   3H    ALA   1          3HT       ALA   1  -2.776   5.338   3.472
    4    HA   ALA   1           HA       ALA   1  -1.165   3.319   4.873
    5   1HB   ALA   1          1HB       ALA   1  -2.456   4.112   6.604
    6   2HB   ALA   1          2HB       ALA   1  -3.515   2.878   5.922
    7   3HB   ALA   1          3HB       ALA   1  -3.785   4.579   5.543
    8    H    VAL   2           H        VAL   2  -1.555   1.253   4.223
    9    HA   VAL   2           HA       VAL   2  -2.477   0.769   1.638
   10    HB   VAL   2           HB       VAL   2  -0.958  -0.750   2.835
   11   1HG1  VAL   2          1HG1      VAL   2  -2.479  -0.554   4.970
   12   2HG1  VAL   2          2HG1      VAL   2  -1.522  -2.004   4.667
   13   3HG1  VAL   2          3HG1      VAL   2  -3.244  -1.988   4.287
   14   1HG2  VAL   2          1HG2      VAL   2  -3.505  -1.868   1.705
   15   2HG2  VAL   2          2HG2      VAL   2  -2.174  -2.912   2.205
   16   3HG2  VAL   2          3HG2      VAL   2  -1.926  -1.716   0.934
   17    H    SER   3           H        SER   3  -4.175   0.807   4.686
   18    HA   SER   3           HA       SER   3  -6.474  -0.619   3.961
   19   1HB   SER   3          2HB       SER   3  -5.676   0.380   6.273
   20   2HB   SER   3          1HB       SER   3  -6.689   1.740   5.788
   21    HG   SER   3           HG       SER   3  -7.470  -0.967   6.102
   22    H    ALA   4           H        ALA   4  -5.476   2.658   3.297
   23    HA   ALA   4           HA       ALA   4  -8.070   3.195   2.016
   24   1HB   ALA   4          1HB       ALA   4  -6.899   4.740   3.823
   25   2HB   ALA   4          2HB       ALA   4  -7.840   5.410   2.491
   26   3HB   ALA   4          3HB       ALA   4  -6.080   5.364   2.392
   27    H    CYS   5           H        CYS   5  -5.683   1.647   0.955
   28    HA   CYS   5           HA       CYS   5  -4.562   3.234  -1.137
   29   1HB   CYS   5          2HB       CYS   5  -3.332   1.334  -0.275
   30   2HB   CYS   5          1HB       CYS   5  -4.633   0.239  -0.718
   31    H    ALA   6           H        ALA   6  -5.200   3.491  -3.205
   32    HA   ALA   6           HA       ALA   6  -7.858   2.526  -3.904
   33   1HB   ALA   6          1HB       ALA   6  -7.968   4.237  -5.461
   34   2HB   ALA   6          2HB       ALA   6  -6.216   4.325  -5.640
   35   3HB   ALA   6          3HB       ALA   6  -6.985   4.948  -4.181
   36    H    LEU   7           H        LEU   7  -4.542   1.912  -4.658
   37    HA   LEU   7           HA       LEU   7  -4.932   0.750  -7.222
   38   1HB   LEU   7          2HB       LEU   7  -2.726   0.657  -5.193
   39   2HB   LEU   7          1HB       LEU   7  -2.668  -0.361  -6.619
   40    HG   LEU   7           HG       LEU   7  -3.193   2.493  -7.138
   41   1HD1  LEU   7          1HD1      LEU   7  -1.572   3.202  -5.756
   42   2HD1  LEU   7          2HD1      LEU   7  -0.492   2.582  -7.004
   43   3HD1  LEU   7          3HD1      LEU   7  -0.865   1.595  -5.591
   44   1HD2  LEU   7          1HD2      LEU   7  -1.873   2.100  -9.048
   45   2HD2  LEU   7          2HD2      LEU   7  -2.826   0.633  -8.827
   46   3HD2  LEU   7          3HD2      LEU   7  -1.132   0.665  -8.338
   47    HA   PRO   8           HA       PRO   8  -6.650  -3.112  -5.791
   48   1HB   PRO   8          2HB       PRO   8  -6.801  -4.370  -8.161
   49   2HB   PRO   8          1HB       PRO   8  -7.877  -3.029  -7.749
   50   1HG   PRO   8          2HG       PRO   8  -5.402  -3.023  -9.434
   51   2HG   PRO   8          1HG       PRO   8  -6.955  -2.216  -9.723
   52   1HD   PRO   8          2HD       PRO   8  -4.756  -0.949  -8.705
   53   2HD   PRO   8          1HD       PRO   8  -6.422  -0.443  -8.369
   54    H    LYS   9           H        LYS   9  -5.779  -4.956  -5.027
   55    HA   LYS   9           HA       LYS   9  -4.242  -6.560  -4.535
   56   1HB   LYS   9          2HB       LYS   9  -3.397  -6.322  -7.424
   57   2HB   LYS   9          1HB       LYS   9  -3.209  -7.716  -6.368
   58   1HG   LYS   9          2HG       LYS   9  -5.864  -7.459  -6.252
   59   2HG   LYS   9          1HG       LYS   9  -5.579  -6.758  -7.847
   60   1HD   LYS   9          2HD       LYS   9  -5.693  -8.901  -8.535
   61   2HD   LYS   9          1HD       LYS   9  -4.018  -8.964  -7.982
   62   1HE   LYS   9          2HE       LYS   9  -6.404  -9.666  -6.277
   63   2HE   LYS   9          1HE       LYS   9  -5.436 -10.844  -7.163
   64   1HZ   LYS   9          1HZ       LYS   9  -4.631  -9.158  -4.873
   65   2HZ   LYS   9          2HZ       LYS   9  -3.481  -9.871  -5.888
   66   3HZ   LYS   9          3HZ       LYS   9  -4.559 -10.843  -5.020
   67    H    CYS  10           H        CYS  10  -3.507  -3.729  -4.291
   68    HA   CYS  10           HA       CYS  10  -0.838  -3.300  -5.089
   69   1HB   CYS  10          2HB       CYS  10  -2.585  -1.603  -4.236
   70   2HB   CYS  10          1HB       CYS  10  -2.059  -2.079  -2.625
   71    H    ALA  11           H        ALA  11  -2.219  -4.421  -2.011
   72    HA   ALA  11           HA       ALA  11   0.240  -4.733  -0.667
   73   1HB   ALA  11          1HB       ALA  11  -2.040  -4.633   0.385
   74   2HB   ALA  11          2HB       ALA  11  -0.980  -5.899   1.005
   75   3HB   ALA  11          3HB       ALA  11  -2.270  -6.306  -0.126
   76    H    ALA  12           H        ALA  12   1.551  -6.509  -0.340
   77    HA   ALA  12           HA       ALA  12   1.260  -8.649  -2.330
   78   1HB   ALA  12          1HB       ALA  12   3.737  -9.045  -1.576
   79   2HB   ALA  12          2HB       ALA  12   3.607  -7.385  -0.998
   80   3HB   ALA  12          3HB       ALA  12   3.339  -7.749  -2.702
   81    H    ALA  13           H        ALA  13   1.340  -8.014   1.075
   82    HA   ALA  13           HA       ALA  13   0.394 -10.610   1.707
   83   1HB   ALA  13          1HB       ALA  13   2.442 -11.587   1.679
   84   2HB   ALA  13          2HB       ALA  13   2.495 -10.931   3.316
   85   3HB   ALA  13          3HB       ALA  13   3.290 -10.073   1.995
   86    H    ALA  14           H        ALA  14  -0.358  -7.885   2.160
   87    HA   ALA  14           HA       ALA  14  -1.297  -6.617   3.799
   88   1HB   ALA  14          1HB       ALA  14  -1.965  -7.626   5.822
   89   2HB   ALA  14          2HB       ALA  14  -0.659  -8.809   5.754
   90   3HB   ALA  14          3HB       ALA  14  -2.002  -8.913   4.616
   91    H    ASN  15           H        ASN  15   1.027  -5.681   3.212
   92    HA   ASN  15           HA       ASN  15   2.249  -5.008   5.795
   93   1HB   ASN  15          2HB       ASN  15   3.554  -6.753   4.291
   94   2HB   ASN  15          1HB       ASN  15   4.035  -5.305   3.412
   95   1HD2  ASN  15          1HD2      ASN  15   6.189  -5.845   4.079
   96   2HD2  ASN  15          2HD2      ASN  15   6.739  -5.400   5.655
   97    H    VAL  16           H        VAL  16   1.452  -3.054   5.922
   98    HA   VAL  16           HA       VAL  16   0.886  -1.161   4.069
   99    HB   VAL  16           HB       VAL  16   1.794  -1.094   6.892
  100   1HG1  VAL  16          1HG1      VAL  16   3.000   0.821   6.100
  101   2HG1  VAL  16          2HG1      VAL  16   1.558   1.406   6.931
  102   3HG1  VAL  16          3HG1      VAL  16   1.611   1.380   5.168
  103   1HG2  VAL  16          1HG2      VAL  16  -0.625   0.005   5.464
  104   2HG2  VAL  16          2HG2      VAL  16  -0.376  -0.002   7.209
  105   3HG2  VAL  16          3HG2      VAL  16  -0.531  -1.526   6.335
  106    H    ALA  17           H        ALA  17   4.081  -1.846   5.448
  107    HA   ALA  17           HA       ALA  17   5.496   0.296   4.377
  108   1HB   ALA  17          1HB       ALA  17   7.451  -0.886   4.871
  109   2HB   ALA  17          2HB       ALA  17   6.684  -2.451   4.596
  110   3HB   ALA  17          3HB       ALA  17   6.275  -1.506   6.029
  111    H    ALA  18           H        ALA  18   4.962  -2.936   2.986
  112    HA   ALA  18           HA       ALA  18   6.340  -2.499   0.582
  113   1HB   ALA  18          1HB       ALA  18   5.424  -4.505  -0.166
  114   2HB   ALA  18          2HB       ALA  18   3.937  -4.282   0.756
  115   3HB   ALA  18          3HB       ALA  18   5.437  -4.694   1.587
  116    H    HIS  19           H        HIS  19   3.261  -1.408   1.682
  117    HA   HIS  19           HA       HIS  19   2.319  -0.781  -0.989
  118   1HB   HIS  19          2HB       HIS  19   0.461  -1.377   0.195
  119   2HB   HIS  19          1HB       HIS  19   1.133  -0.834   1.728
  120    HD2  HIS  19           2HD      HIS  19   0.240   1.530   2.612
  121    HE1  HIS  19           1HE      HIS  19  -1.564   2.809  -0.988
  122    HE2  HIS  19           2HE      HIS  19  -1.341   3.256   1.500
  123    H    MET  20           H        MET  20   2.712   1.144   2.005
  124    HA   MET  20           HA       MET  20   2.486   3.648   0.891
  125   1HB   MET  20          2HB       MET  20   2.965   2.746   3.379
  126   2HB   MET  20          1HB       MET  20   4.566   3.358   2.985
  127   1HG   MET  20          2HG       MET  20   3.059   5.435   2.183
  128   2HG   MET  20          1HG       MET  20   2.053   4.801   3.486
  129   1HE   MET  20          1HE       MET  20   3.958   7.949   4.903
  130   2HE   MET  20          2HE       MET  20   2.651   7.461   3.824
  131   3HE   MET  20          3HE       MET  20   4.268   7.746   3.179
  132    H    THR  21           H        THR  21   5.135   1.441   0.572
  133    HA   THR  21           HA       THR  21   7.280   3.105   0.078
  134    HB   THR  21           HB       THR  21   7.401   0.640   0.211
  135    HG1  THR  21           1HG      THR  21   8.484   1.841  -2.115
  136   1HG2  THR  21          1HG2      THR  21   6.742   0.386  -2.667
  137   2HG2  THR  21          2HG2      THR  21   5.417   0.417  -1.503
  138   3HG2  THR  21          3HG2      THR  21   6.675  -0.813  -1.376
  139    H    HIS  22           H        HIS  22   4.469   2.605  -1.891
  140    HA   HIS  22           HA       HIS  22   5.677   4.317  -3.971
  141   1HB   HIS  22          2HB       HIS  22   3.943   3.090  -5.501
  142   2HB   HIS  22          1HB       HIS  22   5.489   2.328  -5.145
  143    HD1  HIS  22           1HD      HIS  22   5.207  -0.061  -4.716
  144    HD2  HIS  22           2HD      HIS  22   1.940   2.107  -3.296
  145    HE1  HIS  22           1HE      HIS  22   3.660  -1.754  -3.696
  146    HE2  HIS  22           2HE      HIS  22   1.816  -0.392  -2.670
  147    H    CYS  23           H        CYS  23   2.839   3.376  -2.188
  148    HA   CYS  23           HA       CYS  23   1.160   5.380  -3.386
  149   1HB   CYS  23          2HB       CYS  23   0.873   3.219  -1.354
  150   2HB   CYS  23          1HB       CYS  23  -0.327   4.497  -1.399
  151    H    ALA  24           H        ALA  24   1.136   7.435  -2.760
  152    HA   ALA  24           HA       ALA  24   0.984   8.257  -0.066
  153   1HB   ALA  24          1HB       ALA  24   3.549   9.228  -1.214
  154   2HB   ALA  24          2HB       ALA  24   3.503   7.609  -0.514
  155   3HB   ALA  24          3HB       ALA  24   3.073   9.009   0.470
  156    H    LYS  25           H        LYS  25  -0.388   8.720  -2.518
  157    HA   LYS  25           HA       LYS  25  -0.097  11.641  -2.685
  158   1HB   LYS  25          2HB       LYS  25   0.719  10.120  -4.720
  159   2HB   LYS  25          1HB       LYS  25  -0.994  10.172  -5.114
  160   1HG   LYS  25          2HG       LYS  25  -0.946  12.577  -5.217
  161   2HG   LYS  25          1HG       LYS  25   0.734  12.598  -4.677
  162   1HD   LYS  25          2HD       LYS  25   1.138  12.733  -6.901
  163   2HD   LYS  25          1HD       LYS  25   0.966  10.980  -6.806
  164   1HE   LYS  25          2HE       LYS  25  -1.510  12.556  -7.194
  165   2HE   LYS  25          1HE       LYS  25  -0.390  12.484  -8.552
  166   1HZ   LYS  25          1HZ       LYS  25  -1.465  10.109  -7.130
  167   2HZ   LYS  25          2HZ       LYS  25  -0.496  10.100  -8.518
  168   3HZ   LYS  25          3HZ       LYS  25  -2.072  10.711  -8.590
  Start of MODEL   16
    1   1H    ALA   1          1HT       ALA   1  -1.264   5.082   3.297
    2   2H    ALA   1          2HT       ALA   1  -1.791   5.664   4.823
    3   3H    ALA   1          3HT       ALA   1  -2.940   5.248   3.617
    4    HA   ALA   1           HA       ALA   1  -1.032   3.330   4.749
    5   1HB   ALA   1          1HB       ALA   1  -3.566   4.380   5.854
    6   2HB   ALA   1          2HB       ALA   1  -2.157   3.712   6.678
    7   3HB   ALA   1          3HB       ALA   1  -3.329   2.633   5.924
    8    H    VAL   2           H        VAL   2  -1.510   1.194   4.181
    9    HA   VAL   2           HA       VAL   2  -2.464   0.764   1.599
   10    HB   VAL   2           HB       VAL   2  -0.950  -0.791   2.757
   11   1HG1  VAL   2          1HG1      VAL   2  -2.259  -0.641   4.943
   12   2HG1  VAL   2          2HG1      VAL   2  -1.617  -2.221   4.493
   13   3HG1  VAL   2          3HG1      VAL   2  -3.326  -1.862   4.248
   14   1HG2  VAL   2          1HG2      VAL   2  -3.515  -1.853   1.618
   15   2HG2  VAL   2          2HG2      VAL   2  -2.204  -2.929   2.103
   16   3HG2  VAL   2          3HG2      VAL   2  -1.932  -1.718   0.850
   17    H    SER   3           H        SER   3  -4.135   0.783   4.661
   18    HA   SER   3           HA       SER   3  -6.454  -0.616   3.951
   19   1HB   SER   3          2HB       SER   3  -6.144   1.685   5.895
   20   2HB   SER   3          1HB       SER   3  -7.530   0.597   5.819
   21    HG   SER   3           HG       SER   3  -5.977  -1.129   6.212
   22    H    ALA   4           H        ALA   4  -5.439   2.661   3.296
   23    HA   ALA   4           HA       ALA   4  -8.035   3.216   2.029
   24   1HB   ALA   4          1HB       ALA   4  -7.786   5.025   3.366
   25   2HB   ALA   4          2HB       ALA   4  -6.849   5.613   1.993
   26   3HB   ALA   4          3HB       ALA   4  -6.026   4.909   3.385
   27    H    CYS   5           H        CYS   5  -5.674   1.651   0.947
   28    HA   CYS   5           HA       CYS   5  -4.552   3.240  -1.147
   29   1HB   CYS   5          2HB       CYS   5  -3.327   1.334  -0.286
   30   2HB   CYS   5          1HB       CYS   5  -4.630   0.244  -0.734
   31    H    ALA   6           H        ALA   6  -5.185   3.478  -3.222
   32    HA   ALA   6           HA       ALA   6  -7.854   2.528  -3.906
   33   1HB   ALA   6          1HB       ALA   6  -7.820   4.151  -5.671
   34   2HB   ALA   6          2HB       ALA   6  -6.093   4.426  -5.446
   35   3HB   ALA   6          3HB       ALA   6  -7.234   4.919  -4.196
   36    H    LEU   7           H        LEU   7  -4.543   1.901  -4.670
   37    HA   LEU   7           HA       LEU   7  -4.944   0.733  -7.229
   38   1HB   LEU   7          2HB       LEU   7  -2.735   0.627  -5.205
   39   2HB   LEU   7          1HB       LEU   7  -2.686  -0.389  -6.632
   40    HG   LEU   7           HG       LEU   7  -3.198   2.465  -7.156
   41   1HD1  LEU   7          1HD1      LEU   7  -0.878   1.568  -5.594
   42   2HD1  LEU   7          2HD1      LEU   7  -1.586   3.173  -5.761
   43   3HD1  LEU   7          3HD1      LEU   7  -0.499   2.556  -7.004
   44   1HD2  LEU   7          1HD2      LEU   7  -2.820   0.597  -8.835
   45   2HD2  LEU   7          2HD2      LEU   7  -1.128   0.634  -8.338
   46   3HD2  LEU   7          3HD2      LEU   7  -1.869   2.065  -9.056
   47    HA   PRO   8           HA       PRO   8  -6.669  -3.125  -5.806
   48   1HB   PRO   8          2HB       PRO   8  -6.796  -4.395  -8.169
   49   2HB   PRO   8          1HB       PRO   8  -7.869  -3.045  -7.781
   50   1HG   PRO   8          2HG       PRO   8  -5.373  -3.067  -9.433
   51   2HG   PRO   8          1HG       PRO   8  -6.916  -2.250  -9.746
   52   1HD   PRO   8          2HD       PRO   8  -4.717  -0.995  -8.706
   53   2HD   PRO   8          1HD       PRO   8  -6.385  -0.470  -8.404
   54    H    LYS   9           H        LYS   9  -5.800  -4.951  -5.004
   55    HA   LYS   9           HA       LYS   9  -4.272  -6.552  -4.481
   56   1HB   LYS   9          2HB       LYS   9  -3.391  -6.374  -7.361
   57   2HB   LYS   9          1HB       LYS   9  -3.262  -7.757  -6.283
   58   1HG   LYS   9          2HG       LYS   9  -5.921  -7.390  -6.234
   59   2HG   LYS   9          1HG       LYS   9  -5.557  -6.780  -7.849
   60   1HD   LYS   9          2HD       LYS   9  -5.731  -8.947  -8.440
   61   2HD   LYS   9          1HD       LYS   9  -4.082  -9.050  -7.821
   62   1HE   LYS   9          2HE       LYS   9  -5.490  -9.393  -5.541
   63   2HE   LYS   9          1HE       LYS   9  -6.598 -10.107  -6.712
   64   1HZ   LYS   9          1HZ       LYS   9  -4.800 -11.572  -5.619
   65   2HZ   LYS   9          2HZ       LYS   9  -3.749 -10.853  -6.731
   66   3HZ   LYS   9          3HZ       LYS   9  -5.086 -11.732  -7.279
   67    H    CYS  10           H        CYS  10  -3.523  -3.724  -4.274
   68    HA   CYS  10           HA       CYS  10  -0.852  -3.315  -5.075
   69   1HB   CYS  10          2HB       CYS  10  -2.586  -1.598  -4.246
   70   2HB   CYS  10          1HB       CYS  10  -2.079  -2.065  -2.626
   71    H    ALA  11           H        ALA  11  -2.251  -4.462  -2.020
   72    HA   ALA  11           HA       ALA  11   0.209  -4.749  -0.657
   73   1HB   ALA  11          1HB       ALA  11  -2.308  -6.310  -0.115
   74   2HB   ALA  11          2HB       ALA  11  -2.069  -4.638   0.393
   75   3HB   ALA  11          3HB       ALA  11  -1.017  -5.909   1.019
   76    H    ALA  12           H        ALA  12   1.581  -6.461  -0.419
   77    HA   ALA  12           HA       ALA  12   1.263  -8.633  -2.362
   78   1HB   ALA  12          1HB       ALA  12   3.790  -8.288  -0.848
   79   2HB   ALA  12          2HB       ALA  12   3.374  -7.059  -2.043
   80   3HB   ALA  12          3HB       ALA  12   3.529  -8.747  -2.530
   81    H    ALA  13           H        ALA  13   1.355  -7.987   1.039
   82    HA   ALA  13           HA       ALA  13   0.436 -10.592   1.681
   83   1HB   ALA  13          1HB       ALA  13   2.256 -11.556   2.755
   84   2HB   ALA  13          2HB       ALA  13   3.127 -10.026   2.864
   85   3HB   ALA  13          3HB       ALA  13   2.978 -10.848   1.309
   86    H    ALA  14           H        ALA  14  -0.356  -7.876   2.120
   87    HA   ALA  14           HA       ALA  14  -1.301  -6.601   3.750
   88   1HB   ALA  14          1HB       ALA  14  -1.014  -9.239   5.037
   89   2HB   ALA  14          2HB       ALA  14  -2.434  -8.209   4.858
   90   3HB   ALA  14          3HB       ALA  14  -1.252  -7.868   6.122
   91    H    ASN  15           H        ASN  15   1.025  -5.659   3.195
   92    HA   ASN  15           HA       ASN  15   2.219  -5.000   5.793
   93   1HB   ASN  15          2HB       ASN  15   3.540  -6.735   4.286
   94   2HB   ASN  15          1HB       ASN  15   4.035  -5.278   3.431
   95   1HD2  ASN  15          1HD2      ASN  15   5.919  -4.560   4.073
   96   2HD2  ASN  15          2HD2      ASN  15   6.549  -4.625   5.680
   97    H    VAL  16           H        VAL  16   1.426  -3.046   5.925
   98    HA   VAL  16           HA       VAL  16   0.868  -1.143   4.084
   99    HB   VAL  16           HB       VAL  16   1.779  -1.089   6.906
  100   1HG1  VAL  16          1HG1      VAL  16   2.964   0.837   6.314
  101   2HG1  VAL  16          2HG1      VAL  16   1.404   1.468   6.838
  102   3HG1  VAL  16          3HG1      VAL  16   1.764   1.326   5.118
  103   1HG2  VAL  16          1HG2      VAL  16  -0.378  -0.305   7.345
  104   2HG2  VAL  16          2HG2      VAL  16  -0.593  -1.460   6.029
  105   3HG2  VAL  16          3HG2      VAL  16  -0.604   0.272   5.693
  106    H    ALA  17           H        ALA  17   4.062  -1.824   5.469
  107    HA   ALA  17           HA       ALA  17   5.476   0.317   4.394
  108   1HB   ALA  17          1HB       ALA  17   6.621  -2.450   4.679
  109   2HB   ALA  17          2HB       ALA  17   6.286  -1.412   6.065
  110   3HB   ALA  17          3HB       ALA  17   7.449  -0.900   4.841
  111    H    ALA  18           H        ALA  18   4.937  -2.919   3.016
  112    HA   ALA  18           HA       ALA  18   6.327  -2.498   0.614
  113   1HB   ALA  18          1HB       ALA  18   5.377  -4.496  -0.144
  114   2HB   ALA  18          2HB       ALA  18   3.921  -4.279   0.826
  115   3HB   ALA  18          3HB       ALA  18   5.447  -4.690   1.608
  116    H    HIS  19           H        HIS  19   3.246  -1.396   1.701
  117    HA   HIS  19           HA       HIS  19   2.312  -0.780  -0.976
  118   1HB   HIS  19          2HB       HIS  19   0.450  -1.366   0.208
  119   2HB   HIS  19          1HB       HIS  19   1.120  -0.815   1.738
  120    HD2  HIS  19           2HD      HIS  19   0.228   1.554   2.608
  121    HE1  HIS  19           1HE      HIS  19  -1.560   2.820  -1.006
  122    HE2  HIS  19           2HE      HIS  19  -1.344   3.279   1.481
  123    H    MET  20           H        MET  20   2.701   1.160   2.008
  124    HA   MET  20           HA       MET  20   2.487   3.657   0.882
  125   1HB   MET  20          2HB       MET  20   2.838   2.870   3.366
  126   2HB   MET  20          1HB       MET  20   4.526   3.227   3.028
  127   1HG   MET  20          2HG       MET  20   4.053   5.505   2.596
  128   2HG   MET  20          1HG       MET  20   2.315   5.208   2.575
  129   1HE   MET  20          1HE       MET  20   1.776   6.927   5.817
  130   2HE   MET  20          2HE       MET  20   0.909   6.004   4.590
  131   3HE   MET  20          3HE       MET  20   2.039   7.269   4.107
  132    H    THR  21           H        THR  21   5.130   1.443   0.584
  133    HA   THR  21           HA       THR  21   7.280   3.100   0.088
  134    HB   THR  21           HB       THR  21   7.396   0.635   0.235
  135    HG1  THR  21           1HG      THR  21   9.228   0.948  -0.700
  136   1HG2  THR  21          1HG2      THR  21   6.720   0.395  -2.648
  137   2HG2  THR  21          2HG2      THR  21   5.418   0.381  -1.458
  138   3HG2  THR  21          3HG2      THR  21   6.703  -0.824  -1.374
  139    H    HIS  22           H        HIS  22   4.475   2.594  -1.888
  140    HA   HIS  22           HA       HIS  22   5.694   4.292  -3.973
  141   1HB   HIS  22          2HB       HIS  22   3.964   3.060  -5.504
  142   2HB   HIS  22          1HB       HIS  22   5.504   2.295  -5.136
  143    HD1  HIS  22           1HD      HIS  22   5.210  -0.090  -4.700
  144    HD2  HIS  22           2HD      HIS  22   1.950   2.099  -3.297
  145    HE1  HIS  22           1HE      HIS  22   3.652  -1.773  -3.677
  146    HE2  HIS  22           2HE      HIS  22   1.813  -0.396  -2.660
  147    H    CYS  23           H        CYS  23   2.849   3.370  -2.193
  148    HA   CYS  23           HA       CYS  23   1.178   5.371  -3.409
  149   1HB   CYS  23          2HB       CYS  23   0.880   3.224  -1.365
  150   2HB   CYS  23          1HB       CYS  23  -0.317   4.502  -1.422
  151    H    ALA  24           H        ALA  24   1.117   7.425  -2.782
  152    HA   ALA  24           HA       ALA  24   1.047   8.223  -0.059
  153   1HB   ALA  24          1HB       ALA  24   3.446   9.414  -1.304
  154   2HB   ALA  24          2HB       ALA  24   3.582   7.735  -0.782
  155   3HB   ALA  24          3HB       ALA  24   3.131   8.985   0.377
  156    H    LYS  25           H        LYS  25  -0.502   8.616  -2.424
  157    HA   LYS  25           HA       LYS  25  -0.404  11.549  -2.565
  158   1HB   LYS  25          2HB       LYS  25   0.549  10.588  -4.644
  159   2HB   LYS  25          1HB       LYS  25  -0.961   9.725  -4.912
  160   1HG   LYS  25          2HG       LYS  25  -2.145  11.705  -5.332
  161   2HG   LYS  25          1HG       LYS  25  -0.866  12.713  -4.652
  162   1HD   LYS  25          2HD       LYS  25   0.425  12.581  -6.532
  163   2HD   LYS  25          1HD       LYS  25  -0.185  10.985  -6.972
  164   1HE   LYS  25          2HE       LYS  25  -2.109  13.238  -7.039
  165   2HE   LYS  25          1HE       LYS  25  -0.864  13.209  -8.286
  166   1HZ   LYS  25          1HZ       LYS  25  -1.586  10.811  -8.641
  167   2HZ   LYS  25          2HZ       LYS  25  -2.634  12.021  -9.188
  168   3HZ   LYS  25          3HZ       LYS  25  -2.966  11.205  -7.743
  Start of MODEL   17
    1   1H    ALA   1          1HT       ALA   1  -0.937   4.515   3.118
    2   2H    ALA   1          2HT       ALA   1  -1.223   5.227   4.652
    3   3H    ALA   1          3HT       ALA   1  -2.514   5.039   3.538
    4    HA   ALA   1           HA       ALA   1  -0.983   2.850   4.769
    5   1HB   ALA   1          1HB       ALA   1  -2.526   4.316   6.241
    6   2HB   ALA   1          2HB       ALA   1  -2.686   2.561   6.313
    7   3HB   ALA   1          3HB       ALA   1  -3.836   3.514   5.376
    8    H    VAL   2           H        VAL   2  -1.531   0.825   4.082
    9    HA   VAL   2           HA       VAL   2  -2.506   0.486   1.489
   10    HB   VAL   2           HB       VAL   2  -1.073  -1.163   2.624
   11   1HG1  VAL   2          1HG1      VAL   2  -1.647  -2.335   4.471
   12   2HG1  VAL   2          2HG1      VAL   2  -3.351  -2.417   4.024
   13   3HG1  VAL   2          3HG1      VAL   2  -2.699  -0.946   4.745
   14   1HG2  VAL   2          1HG2      VAL   2  -3.707  -2.235   1.621
   15   2HG2  VAL   2          2HG2      VAL   2  -2.240  -3.193   1.821
   16   3HG2  VAL   2          3HG2      VAL   2  -2.277  -1.868   0.657
   17    H    SER   3           H        SER   3  -4.164   0.550   4.557
   18    HA   SER   3           HA       SER   3  -6.560  -0.705   3.811
   19   1HB   SER   3          2HB       SER   3  -5.916   1.373   5.901
   20   2HB   SER   3          1HB       SER   3  -7.543   0.724   5.697
   21    HG   SER   3           HG       SER   3  -6.926  -1.107   6.558
   22    H    ALA   4           H        ALA   4  -5.382   2.556   3.332
   23    HA   ALA   4           HA       ALA   4  -7.941   3.310   2.100
   24   1HB   ALA   4          1HB       ALA   4  -7.554   5.048   3.497
   25   2HB   ALA   4          2HB       ALA   4  -6.602   5.625   2.130
   26   3HB   ALA   4          3HB       ALA   4  -5.805   4.817   3.481
   27    H    CYS   5           H        CYS   5  -5.644   1.658   0.945
   28    HA   CYS   5           HA       CYS   5  -4.532   3.273  -1.143
   29   1HB   CYS   5          2HB       CYS   5  -3.307   1.346  -0.308
   30   2HB   CYS   5          1HB       CYS   5  -4.614   0.271  -0.775
   31    H    ALA   6           H        ALA   6  -5.176   3.493  -3.225
   32    HA   ALA   6           HA       ALA   6  -7.868   2.566  -3.864
   33   1HB   ALA   6          1HB       ALA   6  -7.665   4.138  -5.791
   34   2HB   ALA   6          2HB       ALA   6  -6.068   4.585  -5.191
   35   3HB   ALA   6          3HB       ALA   6  -7.499   4.904  -4.211
   36    H    LEU   7           H        LEU   7  -4.572   1.932  -4.680
   37    HA   LEU   7           HA       LEU   7  -5.009   0.785  -7.241
   38   1HB   LEU   7          2HB       LEU   7  -2.780   0.635  -5.240
   39   2HB   LEU   7          1HB       LEU   7  -2.753  -0.354  -6.687
   40    HG   LEU   7           HG       LEU   7  -3.259   2.499  -7.181
   41   1HD1  LEU   7          1HD1      LEU   7  -0.581   2.655  -6.988
   42   2HD1  LEU   7          2HD1      LEU   7  -0.930   1.606  -5.613
   43   3HD1  LEU   7          3HD1      LEU   7  -1.688   3.195  -5.724
   44   1HD2  LEU   7          1HD2      LEU   7  -1.891   2.125  -9.059
   45   2HD2  LEU   7          2HD2      LEU   7  -2.832   0.647  -8.865
   46   3HD2  LEU   7          3HD2      LEU   7  -1.150   0.696  -8.337
   47    HA   PRO   8           HA       PRO   8  -6.721  -3.086  -5.855
   48   1HB   PRO   8          2HB       PRO   8  -6.828  -4.352  -8.219
   49   2HB   PRO   8          1HB       PRO   8  -7.896  -2.994  -7.845
   50   1HG   PRO   8          2HG       PRO   8  -5.381  -3.034  -9.466
   51   2HG   PRO   8          1HG       PRO   8  -6.913  -2.205  -9.797
   52   1HD   PRO   8          2HD       PRO   8  -4.712  -0.972  -8.725
   53   2HD   PRO   8          1HD       PRO   8  -6.378  -0.426  -8.458
   54    H    LYS   9           H        LYS   9  -5.839  -4.883  -5.014
   55    HA   LYS   9           HA       LYS   9  -4.315  -6.483  -4.473
   56   1HB   LYS   9          2HB       LYS   9  -3.559  -6.320  -7.395
   57   2HB   LYS   9          1HB       LYS   9  -3.222  -7.656  -6.303
   58   1HG   LYS   9          2HG       LYS   9  -6.054  -6.885  -6.568
   59   2HG   LYS   9          1HG       LYS   9  -5.301  -7.602  -7.994
   60   1HD   LYS   9          2HD       LYS   9  -6.235  -9.395  -6.757
   61   2HD   LYS   9          1HD       LYS   9  -4.492  -9.457  -6.484
   62   1HE   LYS   9          2HE       LYS   9  -6.026  -7.835  -4.564
   63   2HE   LYS   9          1HE       LYS   9  -6.344  -9.568  -4.518
   64   1HZ   LYS   9          1HZ       LYS   9  -4.541  -8.852  -3.017
   65   2HZ   LYS   9          2HZ       LYS   9  -3.637  -8.362  -4.359
   66   3HZ   LYS   9          3HZ       LYS   9  -4.031  -9.994  -4.158
   67    H    CYS  10           H        CYS  10  -3.555  -3.657  -4.308
   68    HA   CYS  10           HA       CYS  10  -0.888  -3.266  -5.129
   69   1HB   CYS  10          2HB       CYS  10  -2.587  -1.521  -4.331
   70   2HB   CYS  10          1HB       CYS  10  -2.127  -1.988  -2.698
   71    H    ALA  11           H        ALA  11  -2.270  -4.379  -2.056
   72    HA   ALA  11           HA       ALA  11   0.152  -4.625  -0.654
   73   1HB   ALA  11          1HB       ALA  11  -1.067  -5.920   0.944
   74   2HB   ALA  11          2HB       ALA  11  -2.321  -6.296  -0.236
   75   3HB   ALA  11          3HB       ALA  11  -2.133  -4.645   0.355
   76    H    ALA  12           H        ALA  12   1.429  -6.447  -0.178
   77    HA   ALA  12           HA       ALA  12   1.340  -8.530  -2.256
   78   1HB   ALA  12          1HB       ALA  12   3.821  -8.792  -1.289
   79   2HB   ALA  12          2HB       ALA  12   3.554  -7.086  -0.934
   80   3HB   ALA  12          3HB       ALA  12   3.409  -7.674  -2.590
   81    H    ALA  13           H        ALA  13   1.321  -7.926   1.162
   82    HA   ALA  13           HA       ALA  13   0.421 -10.542   1.757
   83   1HB   ALA  13          1HB       ALA  13   3.160  -9.964   2.851
   84   2HB   ALA  13          2HB       ALA  13   2.901 -10.901   1.379
   85   3HB   ALA  13          3HB       ALA  13   2.250 -11.475   2.915
   86    H    ALA  14           H        ALA  14  -0.362  -7.830   2.249
   87    HA   ALA  14           HA       ALA  14  -1.330  -6.609   3.907
   88   1HB   ALA  14          1HB       ALA  14  -1.891  -7.650   5.980
   89   2HB   ALA  14          2HB       ALA  14  -0.636  -8.871   5.772
   90   3HB   ALA  14          3HB       ALA  14  -2.046  -8.866   4.712
   91    H    ASN  15           H        ASN  15   0.976  -5.622   3.316
   92    HA   ASN  15           HA       ASN  15   2.168  -4.905   5.896
   93   1HB   ASN  15          2HB       ASN  15   3.613  -6.644   4.838
   94   2HB   ASN  15          1HB       ASN  15   3.815  -5.584   3.446
   95   1HD2  ASN  15          1HD2      ASN  15   5.785  -6.650   5.331
   96   2HD2  ASN  15          2HD2      ASN  15   6.594  -5.276   5.994
   97    H    VAL  16           H        VAL  16   1.397  -2.944   5.971
   98    HA   VAL  16           HA       VAL  16   0.846  -1.101   4.061
   99    HB   VAL  16           HB       VAL  16   1.729  -0.961   6.889
  100   1HG1  VAL  16          1HG1      VAL  16   2.948   0.930   6.061
  101   2HG1  VAL  16          2HG1      VAL  16   1.497   1.540   6.858
  102   3HG1  VAL  16          3HG1      VAL  16   1.570   1.466   5.098
  103   1HG2  VAL  16          1HG2      VAL  16  -0.494   0.555   6.681
  104   2HG2  VAL  16          2HG2      VAL  16  -0.508  -1.193   6.913
  105   3HG2  VAL  16          3HG2      VAL  16  -0.705  -0.516   5.297
  106    H    ALA  17           H        ALA  17   4.026  -1.790   5.460
  107    HA   ALA  17           HA       ALA  17   5.468   0.327   4.376
  108   1HB   ALA  17          1HB       ALA  17   6.699  -2.389   4.551
  109   2HB   ALA  17          2HB       ALA  17   6.178  -1.567   6.022
  110   3HB   ALA  17          3HB       ALA  17   7.381  -0.818   4.971
  111    H    ALA  18           H        ALA  18   4.915  -2.913   3.010
  112    HA   ALA  18           HA       ALA  18   6.300  -2.508   0.606
  113   1HB   ALA  18          1HB       ALA  18   5.195  -4.654   1.710
  114   2HB   ALA  18          2HB       ALA  18   5.519  -4.555  -0.022
  115   3HB   ALA  18          3HB       ALA  18   3.894  -4.247   0.591
  116    H    HIS  19           H        HIS  19   3.227  -1.377   1.685
  117    HA   HIS  19           HA       HIS  19   2.305  -0.755  -0.994
  118   1HB   HIS  19          2HB       HIS  19   0.435  -1.331   0.185
  119   2HB   HIS  19          1HB       HIS  19   1.104  -0.784   1.717
  120    HD2  HIS  19           2HD      HIS  19   0.221   1.586   2.586
  121    HE1  HIS  19           1HE      HIS  19  -1.550   2.866  -1.031
  122    HE2  HIS  19           2HE      HIS  19  -1.343   3.318   1.459
  123    H    MET  20           H        MET  20   2.694   1.181   1.993
  124    HA   MET  20           HA       MET  20   2.499   3.680   0.869
  125   1HB   MET  20          2HB       MET  20   2.886   2.846   3.357
  126   2HB   MET  20          1HB       MET  20   4.549   3.291   3.000
  127   1HG   MET  20          2HG       MET  20   3.982   5.542   2.639
  128   2HG   MET  20          1HG       MET  20   2.259   5.175   2.554
  129   1HE   MET  20          1HE       MET  20   2.761   7.401   5.783
  130   2HE   MET  20          2HE       MET  20   2.450   7.429   4.048
  131   3HE   MET  20          3HE       MET  20   4.108   7.369   4.646
  132    H    THR  21           H        THR  21   5.131   1.450   0.576
  133    HA   THR  21           HA       THR  21   7.292   3.091   0.083
  134    HB   THR  21           HB       THR  21   7.394   0.627   0.228
  135    HG1  THR  21           1HG      THR  21   9.050   1.938  -0.851
  136   1HG2  THR  21          1HG2      THR  21   6.744   0.357  -2.649
  137   2HG2  THR  21          2HG2      THR  21   5.412   0.416  -1.493
  138   3HG2  THR  21          3HG2      THR  21   6.654  -0.828  -1.347
  139    H    HIS  22           H        HIS  22   4.488   2.605  -1.899
  140    HA   HIS  22           HA       HIS  22   5.722   4.297  -3.980
  141   1HB   HIS  22          2HB       HIS  22   3.990   3.078  -5.517
  142   2HB   HIS  22          1HB       HIS  22   5.523   2.301  -5.142
  143    HD1  HIS  22           1HD      HIS  22   5.202  -0.085  -4.719
  144    HD2  HIS  22           2HD      HIS  22   1.965   2.132  -3.309
  145    HE1  HIS  22           1HE      HIS  22   3.628  -1.754  -3.700
  146    HE2  HIS  22           2HE      HIS  22   1.804  -0.362  -2.677
  147    H    CYS  23           H        CYS  23   2.871   3.394  -2.201
  148    HA   CYS  23           HA       CYS  23   1.216   5.408  -3.420
  149   1HB   CYS  23          2HB       CYS  23   0.895   3.258  -1.383
  150   2HB   CYS  23          1HB       CYS  23  -0.293   4.545  -1.441
  151    H    ALA  24           H        ALA  24   1.267   7.469  -2.817
  152    HA   ALA  24           HA       ALA  24   1.063   8.315  -0.134
  153   1HB   ALA  24          1HB       ALA  24   3.363   9.606  -0.306
  154   2HB   ALA  24          2HB       ALA  24   3.790   8.220  -1.312
  155   3HB   ALA  24          3HB       ALA  24   3.267   7.973   0.354
  156    H    LYS  25           H        LYS  25  -0.231   8.802  -2.620
  157    HA   LYS  25           HA       LYS  25   0.293  11.686  -2.940
  158   1HB   LYS  25          2HB       LYS  25   0.662   9.947  -4.921
  159   2HB   LYS  25          1HB       LYS  25  -1.072  10.161  -5.106
  160   1HG   LYS  25          2HG       LYS  25  -0.813  12.509  -5.467
  161   2HG   LYS  25          1HG       LYS  25   0.904  12.430  -5.065
  162   1HD   LYS  25          2HD       LYS  25   1.155  12.314  -7.304
  163   2HD   LYS  25          1HD       LYS  25   0.782  10.606  -7.055
  164   1HE   LYS  25          2HE       LYS  25  -1.706  11.575  -7.257
  165   2HE   LYS  25          1HE       LYS  25  -0.858  12.762  -8.247
  166   1HZ   LYS  25          1HZ       LYS  25  -0.710   9.821  -8.634
  167   2HZ   LYS  25          2HZ       LYS  25  -0.005  11.000  -9.621
  168   3HZ   LYS  25          3HZ       LYS  25  -1.689  10.866  -9.536
  Start of MODEL   18
    1   1H    ALA   1          1HT       ALA   1  -0.301   4.115   3.111
    2   2H    ALA   1          2HT       ALA   1  -0.985   5.291   4.159
    3   3H    ALA   1          3HT       ALA   1  -1.841   4.780   2.761
    4    HA   ALA   1           HA       ALA   1  -1.056   2.884   4.840
    5   1HB   ALA   1          1HB       ALA   1  -2.225   4.411   6.155
    6   2HB   ALA   1          2HB       ALA   1  -3.458   3.245   5.674
    7   3HB   ALA   1          3HB       ALA   1  -3.356   4.805   4.860
    8    H    VAL   2           H        VAL   2  -1.540   0.905   4.171
    9    HA   VAL   2           HA       VAL   2  -2.654   0.344   1.670
   10    HB   VAL   2           HB       VAL   2  -1.199  -1.229   2.877
   11   1HG1  VAL   2          1HG1      VAL   2  -2.599  -0.747   5.073
   12   2HG1  VAL   2          2HG1      VAL   2  -1.719  -2.258   4.841
   13   3HG1  VAL   2          3HG1      VAL   2  -3.457  -2.194   4.545
   14   1HG2  VAL   2          1HG2      VAL   2  -3.871  -2.512   2.342
   15   2HG2  VAL   2          2HG2      VAL   2  -2.269  -3.233   2.175
   16   3HG2  VAL   2          3HG2      VAL   2  -2.784  -1.960   1.068
   17    H    SER   3           H        SER   3  -4.138   0.743   4.802
   18    HA   SER   3           HA       SER   3  -6.597  -0.511   4.321
   19   1HB   SER   3          2HB       SER   3  -5.788   1.757   6.136
   20   2HB   SER   3          1HB       SER   3  -7.444   1.154   6.084
   21    HG   SER   3           HG       SER   3  -6.622  -0.910   6.640
   22    H    ALA   4           H        ALA   4  -5.386   2.651   3.429
   23    HA   ALA   4           HA       ALA   4  -7.972   3.250   2.149
   24   1HB   ALA   4          1HB       ALA   4  -7.502   4.944   3.731
   25   2HB   ALA   4          2HB       ALA   4  -7.130   5.632   2.151
   26   3HB   ALA   4          3HB       ALA   4  -5.826   5.078   3.201
   27    H    CYS   5           H        CYS   5  -5.763   1.580   1.087
   28    HA   CYS   5           HA       CYS   5  -4.473   3.106  -0.968
   29   1HB   CYS   5          2HB       CYS   5  -3.358   1.148  -0.113
   30   2HB   CYS   5          1HB       CYS   5  -4.730   0.127  -0.518
   31    H    ALA   6           H        ALA   6  -4.928   3.188  -3.140
   32    HA   ALA   6           HA       ALA   6  -7.650   2.372  -3.881
   33   1HB   ALA   6          1HB       ALA   6  -6.069   4.222  -5.585
   34   2HB   ALA   6          2HB       ALA   6  -6.668   4.821  -4.039
   35   3HB   ALA   6          3HB       ALA   6  -7.799   4.200  -5.241
   36    H    LEU   7           H        LEU   7  -4.316   1.810  -4.550
   37    HA   LEU   7           HA       LEU   7  -4.515   0.841  -7.189
   38   1HB   LEU   7          2HB       LEU   7  -2.548   0.548  -4.968
   39   2HB   LEU   7          1HB       LEU   7  -2.416  -0.530  -6.344
   40    HG   LEU   7           HG       LEU   7  -2.520   2.451  -6.702
   41   1HD1  LEU   7          1HD1      LEU   7  -0.423   2.740  -6.024
   42   2HD1  LEU   7          2HD1      LEU   7   0.132   1.316  -6.905
   43   3HD1  LEU   7          3HD1      LEU   7  -0.527   1.146  -5.277
   44   1HD2  LEU   7          1HD2      LEU   7  -2.888   0.821  -8.609
   45   2HD2  LEU   7          2HD2      LEU   7  -1.200   0.355  -8.404
   46   3HD2  LEU   7          3HD2      LEU   7  -1.610   2.016  -8.832
   47    HA   PRO   8           HA       PRO   8  -6.511  -3.054  -6.412
   48   1HB   PRO   8          2HB       PRO   8  -6.217  -4.177  -8.830
   49   2HB   PRO   8          1HB       PRO   8  -7.286  -2.792  -8.577
   50   1HG   PRO   8          2HG       PRO   8  -4.515  -2.866  -9.702
   51   2HG   PRO   8          1HG       PRO   8  -5.923  -1.944 -10.258
   52   1HD   PRO   8          2HD       PRO   8  -3.915  -0.890  -8.715
   53   2HD   PRO   8          1HD       PRO   8  -5.576  -0.269  -8.737
   54    H    LYS   9           H        LYS   9  -5.828  -4.881  -5.474
   55    HA   LYS   9           HA       LYS   9  -4.469  -6.553  -4.740
   56   1HB   LYS   9          2HB       LYS   9  -3.467  -6.356  -7.584
   57   2HB   LYS   9          1HB       LYS   9  -3.038  -7.651  -6.475
   58   1HG   LYS   9          2HG       LYS   9  -5.796  -7.603  -6.376
   59   2HG   LYS   9          1HG       LYS   9  -5.430  -7.280  -8.073
   60   1HD   LYS   9          2HD       LYS   9  -5.326  -9.528  -8.215
   61   2HD   LYS   9          1HD       LYS   9  -3.701  -9.298  -7.566
   62   1HE   LYS   9          2HE       LYS   9  -6.190  -9.908  -5.974
   63   2HE   LYS   9          1HE       LYS   9  -4.888 -11.038  -6.342
   64   1HZ   LYS   9          1HZ       LYS   9  -4.846  -8.705  -4.535
   65   2HZ   LYS   9          2HZ       LYS   9  -3.409  -9.335  -5.167
   66   3HZ   LYS   9          3HZ       LYS   9  -4.409 -10.307  -4.210
   67    H    CYS  10           H        CYS  10  -3.601  -3.758  -4.442
   68    HA   CYS  10           HA       CYS  10  -0.834  -3.488  -4.860
   69   1HB   CYS  10          2HB       CYS  10  -2.661  -1.736  -4.173
   70   2HB   CYS  10          1HB       CYS  10  -2.201  -2.184  -2.535
   71    H    ALA  11           H        ALA  11  -2.673  -4.562  -2.018
   72    HA   ALA  11           HA       ALA  11  -0.525  -4.931  -0.276
   73   1HB   ALA  11          1HB       ALA  11  -1.998  -6.340   1.017
   74   2HB   ALA  11          2HB       ALA  11  -3.071  -6.545  -0.367
   75   3HB   ALA  11          3HB       ALA  11  -2.904  -4.962   0.392
   76    H    ALA  12           H        ALA  12   1.246  -6.048  -0.809
   77    HA   ALA  12           HA       ALA  12   1.174  -8.360  -2.501
   78   1HB   ALA  12          1HB       ALA  12   3.663  -8.444  -1.574
   79   2HB   ALA  12          2HB       ALA  12   3.276  -6.782  -1.130
   80   3HB   ALA  12          3HB       ALA  12   3.159  -7.295  -2.813
   81    H    ALA  13           H        ALA  13   1.208  -7.768   0.933
   82    HA   ALA  13           HA       ALA  13   0.421 -10.410   1.547
   83   1HB   ALA  13          1HB       ALA  13   2.485 -10.945   2.949
   84   2HB   ALA  13          2HB       ALA  13   3.307  -9.714   1.991
   85   3HB   ALA  13          3HB       ALA  13   2.623 -11.134   1.200
   86    H    ALA  14           H        ALA  14  -0.398  -7.723   2.113
   87    HA   ALA  14           HA       ALA  14  -1.272  -6.511   3.830
   88   1HB   ALA  14          1HB       ALA  14  -0.594  -8.488   5.915
   89   2HB   ALA  14          2HB       ALA  14  -1.616  -9.062   4.597
   90   3HB   ALA  14          3HB       ALA  14  -2.122  -7.679   5.568
   91    H    ASN  15           H        ASN  15   1.023  -5.527   3.204
   92    HA   ASN  15           HA       ASN  15   2.312  -4.928   5.770
   93   1HB   ASN  15          2HB       ASN  15   3.576  -6.631   4.160
   94   2HB   ASN  15          1HB       ASN  15   4.065  -5.140   3.361
   95   1HD2  ASN  15          1HD2      ASN  15   5.948  -4.423   4.007
   96   2HD2  ASN  15          2HD2      ASN  15   6.615  -4.580   5.593
   97    H    VAL  16           H        VAL  16   1.535  -2.974   5.966
   98    HA   VAL  16           HA       VAL  16   0.928  -1.041   4.164
   99    HB   VAL  16           HB       VAL  16   1.883  -1.039   6.971
  100   1HG1  VAL  16          1HG1      VAL  16   3.070   0.895   6.344
  101   2HG1  VAL  16          2HG1      VAL  16   1.546   1.503   6.993
  102   3HG1  VAL  16          3HG1      VAL  16   1.794   1.428   5.248
  103   1HG2  VAL  16          1HG2      VAL  16  -0.332   0.441   6.974
  104   2HG2  VAL  16          2HG2      VAL  16  -0.366  -1.321   6.965
  105   3HG2  VAL  16          3HG2      VAL  16  -0.589  -0.427   5.461
  106    H    ALA  17           H        ALA  17   4.144  -1.676   5.543
  107    HA   ALA  17           HA       ALA  17   5.517   0.470   4.427
  108   1HB   ALA  17          1HB       ALA  17   6.739  -2.259   4.727
  109   2HB   ALA  17          2HB       ALA  17   6.346  -1.251   6.120
  110   3HB   ALA  17          3HB       ALA  17   7.503  -0.681   4.919
  111    H    ALA  18           H        ALA  18   5.036  -2.797   3.103
  112    HA   ALA  18           HA       ALA  18   6.407  -2.376   0.686
  113   1HB   ALA  18          1HB       ALA  18   5.401  -4.389  -0.081
  114   2HB   ALA  18          2HB       ALA  18   4.068  -4.236   1.065
  115   3HB   ALA  18          3HB       ALA  18   5.696  -4.590   1.646
  116    H    HIS  19           H        HIS  19   3.311  -1.336   1.780
  117    HA   HIS  19           HA       HIS  19   2.335  -0.795  -0.897
  118   1HB   HIS  19          2HB       HIS  19   0.500  -1.413   0.308
  119   2HB   HIS  19          1HB       HIS  19   1.168  -0.826   1.826
  120    HD2  HIS  19           2HD      HIS  19   0.248   1.546   2.666
  121    HE1  HIS  19           1HE      HIS  19  -1.667   2.683  -0.923
  122    HE2  HIS  19           2HE      HIS  19  -1.122   3.376   1.448
  123    H    MET  20           H        MET  20   2.698   1.208   2.049
  124    HA   MET  20           HA       MET  20   2.393   3.677   0.884
  125   1HB   MET  20          2HB       MET  20   2.929   2.847   3.385
  126   2HB   MET  20          1HB       MET  20   4.507   3.491   2.955
  127   1HG   MET  20          2HG       MET  20   3.069   5.549   2.160
  128   2HG   MET  20          1HG       MET  20   1.917   4.893   3.321
  129   1HE   MET  20          1HE       MET  20   3.903   3.828   5.837
  130   2HE   MET  20          2HE       MET  20   2.280   4.495   5.663
  131   3HE   MET  20          3HE       MET  20   3.459   5.304   6.697
  132    H    THR  21           H        THR  21   5.101   1.540   0.583
  133    HA   THR  21           HA       THR  21   7.179   3.269   0.009
  134    HB   THR  21           HB       THR  21   7.407   0.822   0.242
  135    HG1  THR  21           1HG      THR  21   9.099   1.908  -0.743
  136   1HG2  THR  21          1HG2      THR  21   6.713   0.416  -2.611
  137   2HG2  THR  21          2HG2      THR  21   5.408   0.442  -1.424
  138   3HG2  THR  21          3HG2      THR  21   6.719  -0.728  -1.269
  139    H    HIS  22           H        HIS  22   4.366   2.595  -1.898
  140    HA   HIS  22           HA       HIS  22   5.493   4.250  -4.066
  141   1HB   HIS  22          2HB       HIS  22   3.794   2.915  -5.529
  142   2HB   HIS  22          1HB       HIS  22   5.348   2.192  -5.134
  143    HD1  HIS  22           1HD      HIS  22   5.084  -0.183  -4.615
  144    HD2  HIS  22           2HD      HIS  22   1.808   2.014  -3.265
  145    HE1  HIS  22           1HE      HIS  22   3.557  -1.846  -3.518
  146    HE2  HIS  22           2HE      HIS  22   1.707  -0.457  -2.537
  147    H    CYS  23           H        CYS  23   2.713   3.321  -2.191
  148    HA   CYS  23           HA       CYS  23   0.966   5.231  -3.454
  149   1HB   CYS  23          2HB       CYS  23   0.756   3.128  -1.358
  150   2HB   CYS  23          1HB       CYS  23  -0.466   4.384  -1.399
  151    H    ALA  24           H        ALA  24   1.499   7.309  -3.019
  152    HA   ALA  24           HA       ALA  24   0.983   8.359  -0.435
  153   1HB   ALA  24          1HB       ALA  24   3.120   9.078   0.263
  154   2HB   ALA  24          2HB       ALA  24   3.858   8.627  -1.274
  155   3HB   ALA  24          3HB       ALA  24   3.300   7.375  -0.164
  156    H    LYS  25           H        LYS  25  -0.311   9.129  -2.508
  157    HA   LYS  25           HA       LYS  25   0.752  11.784  -3.129
  158   1HB   LYS  25          2HB       LYS  25   1.010   9.895  -5.000
  159   2HB   LYS  25          1HB       LYS  25  -0.650  10.367  -5.336
  160   1HG   LYS  25          2HG       LYS  25   0.159  12.734  -5.502
  161   2HG   LYS  25          1HG       LYS  25   1.803  12.102  -5.412
  162   1HD   LYS  25          2HD       LYS  25   1.357  12.345  -7.711
  163   2HD   LYS  25          1HD       LYS  25   1.175  10.620  -7.382
  164   1HE   LYS  25          2HE       LYS  25  -1.348  11.456  -6.945
  165   2HE   LYS  25          1HE       LYS  25  -0.841  12.631  -8.158
  166   1HZ   LYS  25          1HZ       LYS  25  -0.791   9.674  -8.426
  167   2HZ   LYS  25          2HZ       LYS  25  -0.159  10.747  -9.571
  168   3HZ   LYS  25          3HZ       LYS  25  -1.817  10.747  -9.238
  Start of MODEL   19
    1   1H    ALA   1          1HT       ALA   1  -2.135   4.918   2.582
    2   2H    ALA   1          2HT       ALA   1  -2.358   5.381   4.220
    3   3H    ALA   1          3HT       ALA   1  -3.642   4.646   3.351
    4    HA   ALA   1           HA       ALA   1  -1.073   3.309   3.784
    5   1HB   ALA   1          1HB       ALA   1  -2.133   4.036   5.950
    6   2HB   ALA   1          2HB       ALA   1  -1.895   2.299   5.764
    7   3HB   ALA   1          3HB       ALA   1  -3.498   2.999   5.538
    8    H    VAL   2           H        VAL   2  -1.656   0.873   3.997
    9    HA   VAL   2           HA       VAL   2  -2.705   0.015   1.556
   10    HB   VAL   2           HB       VAL   2  -1.150  -1.334   2.904
   11   1HG1  VAL   2          1HG1      VAL   2  -1.789  -2.478   4.872
   12   2HG1  VAL   2          2HG1      VAL   2  -3.485  -2.040   4.664
   13   3HG1  VAL   2          3HG1      VAL   2  -2.300  -0.804   5.089
   14   1HG2  VAL   2          1HG2      VAL   2  -2.196  -3.514   2.513
   15   2HG2  VAL   2          2HG2      VAL   2  -2.467  -2.416   1.160
   16   3HG2  VAL   2          3HG2      VAL   2  -3.762  -2.728   2.317
   17    H    SER   3           H        SER   3  -4.252   0.594   4.624
   18    HA   SER   3           HA       SER   3  -6.633  -0.864   4.131
   19   1HB   SER   3          2HB       SER   3  -5.634   0.266   6.336
   20   2HB   SER   3          1HB       SER   3  -6.722   1.567   5.851
   21    HG   SER   3           HG       SER   3  -7.448  -1.151   6.241
   22    H    ALA   4           H        ALA   4  -5.548   2.351   3.297
   23    HA   ALA   4           HA       ALA   4  -8.138   2.842   1.974
   24   1HB   ALA   4          1HB       ALA   4  -8.009   4.534   3.545
   25   2HB   ALA   4          2HB       ALA   4  -7.328   5.303   2.110
   26   3HB   ALA   4          3HB       ALA   4  -6.260   4.699   3.377
   27    H    CYS   5           H        CYS   5  -5.734   1.423   0.953
   28    HA   CYS   5           HA       CYS   5  -4.389   3.100  -0.898
   29   1HB   CYS   5          2HB       CYS   5  -3.321   1.068  -0.250
   30   2HB   CYS   5          1HB       CYS   5  -4.714   0.104  -0.716
   31    H    ALA   6           H        ALA   6  -4.801   3.571  -2.997
   32    HA   ALA   6           HA       ALA   6  -7.487   2.987  -3.965
   33   1HB   ALA   6          1HB       ALA   6  -7.280   4.818  -5.369
   34   2HB   ALA   6          2HB       ALA   6  -5.520   4.711  -5.417
   35   3HB   ALA   6          3HB       ALA   6  -6.328   5.305  -3.966
   36    H    LEU   7           H        LEU   7  -4.169   2.175  -4.598
   37    HA   LEU   7           HA       LEU   7  -4.497   1.197  -7.240
   38   1HB   LEU   7          2HB       LEU   7  -2.432   0.880  -5.102
   39   2HB   LEU   7          1HB       LEU   7  -2.377  -0.173  -6.503
   40    HG   LEU   7           HG       LEU   7  -2.479   2.808  -6.829
   41   1HD1  LEU   7          1HD1      LEU   7   0.177   1.752  -7.112
   42   2HD1  LEU   7          2HD1      LEU   7  -0.429   1.460  -5.483
   43   3HD1  LEU   7          3HD1      LEU   7  -0.395   3.100  -6.130
   44   1HD2  LEU   7          1HD2      LEU   7  -2.890   1.243  -8.747
   45   2HD2  LEU   7          2HD2      LEU   7  -1.231   0.677  -8.551
   46   3HD2  LEU   7          3HD2      LEU   7  -1.545   2.361  -8.971
   47    HA   PRO   8           HA       PRO   8  -6.429  -2.706  -6.515
   48   1HB   PRO   8          2HB       PRO   8  -5.506  -4.145  -8.609
   49   2HB   PRO   8          1HB       PRO   8  -6.675  -2.833  -8.802
   50   1HG   PRO   8          2HG       PRO   8  -3.714  -2.811  -9.242
   51   2HG   PRO   8          1HG       PRO   8  -4.997  -2.101 -10.238
   52   1HD   PRO   8          2HD       PRO   8  -3.495  -0.644  -8.502
   53   2HD   PRO   8          1HD       PRO   8  -5.178  -0.239  -8.897
   54    H    LYS   9           H        LYS   9  -5.929  -4.151  -5.001
   55    HA   LYS   9           HA       LYS   9  -4.829  -5.728  -3.789
   56   1HB   LYS   9          2HB       LYS   9  -4.009  -6.167  -6.470
   57   2HB   LYS   9          1HB       LYS   9  -2.583  -6.341  -5.458
   58   1HG   LYS   9          2HG       LYS   9  -3.503  -8.112  -4.255
   59   2HG   LYS   9          1HG       LYS   9  -5.146  -7.732  -4.777
   60   1HD   LYS   9          2HD       LYS   9  -4.386  -8.293  -7.125
   61   2HD   LYS   9          1HD       LYS   9  -2.913  -8.937  -6.398
   62   1HE   LYS   9          2HE       LYS   9  -5.554  -9.848  -5.361
   63   2HE   LYS   9          1HE       LYS   9  -4.976 -10.492  -6.898
   64   1HZ   LYS   9          1HZ       LYS   9  -3.402 -10.558  -4.383
   65   2HZ   LYS   9          2HZ       LYS   9  -3.031 -11.332  -5.840
   66   3HZ   LYS   9          3HZ       LYS   9  -4.361 -11.841  -4.928
   67    H    CYS  10           H        CYS  10  -2.036  -4.425  -5.558
   68    HA   CYS  10           HA       CYS  10  -0.190  -3.285  -4.877
   69   1HB   CYS  10          2HB       CYS  10  -2.310  -2.103  -3.471
   70   2HB   CYS  10          1HB       CYS  10  -1.053  -2.372  -2.269
   71    H    ALA  11           H        ALA  11  -1.465  -4.215  -1.689
   72    HA   ALA  11           HA       ALA  11   1.086  -5.394  -0.999
   73   1HB   ALA  11          1HB       ALA  11   0.348  -4.378   0.880
   74   2HB   ALA  11          2HB       ALA  11  -0.444  -5.932   1.140
   75   3HB   ALA  11          3HB       ALA  11  -1.352  -4.583   0.454
   76    H    ALA  12           H        ALA  12   1.551  -7.522  -0.813
   77    HA   ALA  12           HA       ALA  12  -0.605  -9.426  -1.458
   78   1HB   ALA  12          1HB       ALA  12   2.245  -9.314  -2.352
   79   2HB   ALA  12          2HB       ALA  12   0.781  -9.543  -3.307
   80   3HB   ALA  12          3HB       ALA  12   1.388 -10.855  -2.297
   81    H    ALA  13           H        ALA  13   0.460  -8.435   1.185
   82    HA   ALA  13           HA       ALA  13   0.333 -10.874   2.578
   83   1HB   ALA  13          1HB       ALA  13   2.736 -10.776   1.499
   84   2HB   ALA  13          2HB       ALA  13   2.485 -11.409   3.126
   85   3HB   ALA  13          3HB       ALA  13   3.070  -9.761   2.901
   86    H    ALA  14           H        ALA  14  -0.768  -8.202   2.663
   87    HA   ALA  14           HA       ALA  14  -1.280  -6.518   4.116
   88   1HB   ALA  14          1HB       ALA  14  -1.380  -7.253   6.525
   89   2HB   ALA  14          2HB       ALA  14  -0.701  -8.794   5.998
   90   3HB   ALA  14          3HB       ALA  14  -2.265  -8.261   5.381
   91    H    ASN  15           H        ASN  15   0.984  -5.762   3.201
   92    HA   ASN  15           HA       ASN  15   2.585  -4.996   5.551
   93   1HB   ASN  15          2HB       ASN  15   3.541  -6.738   3.710
   94   2HB   ASN  15          1HB       ASN  15   4.019  -5.215   2.966
   95   1HD2  ASN  15          1HD2      ASN  15   6.134  -5.112   3.322
   96   2HD2  ASN  15          2HD2      ASN  15   6.892  -5.217   4.871
   97    H    VAL  16           H        VAL  16   1.732  -3.059   5.768
   98    HA   VAL  16           HA       VAL  16   0.986  -1.193   3.903
   99    HB   VAL  16           HB       VAL  16   1.938  -1.114   6.712
  100   1HG1  VAL  16          1HG1      VAL  16   3.065   0.846   5.973
  101   2HG1  VAL  16          2HG1      VAL  16   1.574   1.393   6.740
  102   3HG1  VAL  16          3HG1      VAL  16   1.695   1.346   4.981
  103   1HG2  VAL  16          1HG2      VAL  16  -0.248  -0.251   7.143
  104   2HG2  VAL  16          2HG2      VAL  16  -0.408  -1.604   6.023
  105   3HG2  VAL  16          3HG2      VAL  16  -0.526   0.052   5.428
  106    H    ALA  17           H        ALA  17   4.220  -1.758   5.253
  107    HA   ALA  17           HA       ALA  17   5.553   0.425   4.176
  108   1HB   ALA  17          1HB       ALA  17   7.513  -1.380   4.087
  109   2HB   ALA  17          2HB       ALA  17   6.360  -2.281   5.071
  110   3HB   ALA  17          3HB       ALA  17   6.921  -0.696   5.602
  111    H    ALA  18           H        ALA  18   5.139  -2.814   2.754
  112    HA   ALA  18           HA       ALA  18   6.456  -2.292   0.335
  113   1HB   ALA  18          1HB       ALA  18   5.588  -4.525   1.360
  114   2HB   ALA  18          2HB       ALA  18   5.666  -4.336  -0.392
  115   3HB   ALA  18          3HB       ALA  18   4.125  -4.158   0.446
  116    H    HIS  19           H        HIS  19   3.355  -1.331   1.492
  117    HA   HIS  19           HA       HIS  19   2.352  -0.705  -1.156
  118   1HB   HIS  19          2HB       HIS  19   0.535  -1.390   0.040
  119   2HB   HIS  19          1HB       HIS  19   1.209  -0.852   1.573
  120    HD2  HIS  19           2HD      HIS  19   0.245   1.461   2.515
  121    HE1  HIS  19           1HE      HIS  19  -1.680   2.727  -1.026
  122    HE2  HIS  19           2HE      HIS  19  -1.148   3.324   1.375
  123    H    MET  20           H        MET  20   2.696   1.199   1.859
  124    HA   MET  20           HA       MET  20   2.354   3.702   0.786
  125   1HB   MET  20          2HB       MET  20   2.881   2.810   3.252
  126   2HB   MET  20          1HB       MET  20   4.476   3.434   2.851
  127   1HG   MET  20          2HG       MET  20   3.203   5.573   2.159
  128   2HG   MET  20          1HG       MET  20   1.890   4.901   3.125
  129   1HE   MET  20          1HE       MET  20   3.919   3.885   6.170
  130   2HE   MET  20          2HE       MET  20   2.445   3.694   5.221
  131   3HE   MET  20          3HE       MET  20   2.545   4.956   6.449
  132    H    THR  21           H        THR  21   5.090   1.619   0.390
  133    HA   THR  21           HA       THR  21   7.153   3.374  -0.113
  134    HB   THR  21           HB       THR  21   7.386   0.920  -0.033
  135    HG1  THR  21           1HG      THR  21   8.936   2.340  -1.138
  136   1HG2  THR  21          1HG2      THR  21   6.674   0.663  -2.894
  137   2HG2  THR  21          2HG2      THR  21   5.364   0.659  -1.713
  138   3HG2  THR  21          3HG2      THR  21   6.654  -0.538  -1.603
  139    H    HIS  22           H        HIS  22   4.326   2.807  -2.040
  140    HA   HIS  22           HA       HIS  22   5.426   4.605  -4.106
  141   1HB   HIS  22          2HB       HIS  22   3.703   3.332  -5.622
  142   2HB   HIS  22          1HB       HIS  22   5.295   2.643  -5.325
  143    HD1  HIS  22           1HD      HIS  22   5.165   0.240  -4.905
  144    HD2  HIS  22           2HD      HIS  22   1.798   2.201  -3.419
  145    HE1  HIS  22           1HE      HIS  22   3.733  -1.552  -3.886
  146    HE2  HIS  22           2HE      HIS  22   1.823  -0.310  -2.825
  147    H    CYS  23           H        CYS  23   2.652   3.501  -2.309
  148    HA   CYS  23           HA       CYS  23   0.870   5.455  -3.436
  149   1HB   CYS  23          2HB       CYS  23   0.717   3.254  -1.434
  150   2HB   CYS  23          1HB       CYS  23  -0.536   4.479  -1.431
  151    H    ALA  24           H        ALA  24  -0.578   6.481  -1.484
  152    HA   ALA  24           HA       ALA  24  -0.705   8.166   0.040
  153   1HB   ALA  24          1HB       ALA  24  -0.020   6.953   1.830
  154   2HB   ALA  24          2HB       ALA  24   1.340   8.074   1.757
  155   3HB   ALA  24          3HB       ALA  24   1.488   6.459   1.060
  156    H    LYS  25           H        LYS  25  -0.097   9.344  -2.078
  157    HA   LYS  25           HA       LYS  25   2.491  10.696  -1.865
  158   1HB   LYS  25          2HB       LYS  25   1.881   9.770  -4.054
  159   2HB   LYS  25          1HB       LYS  25   0.425  10.758  -4.073
  160   1HG   LYS  25          2HG       LYS  25   1.733  12.773  -4.177
  161   2HG   LYS  25          1HG       LYS  25   3.228  11.853  -3.993
  162   1HD   LYS  25          2HD       LYS  25   3.074  12.296  -6.293
  163   2HD   LYS  25          1HD       LYS  25   2.533  10.626  -6.120
  164   1HE   LYS  25          2HE       LYS  25   0.173  11.788  -5.889
  165   2HE   LYS  25          1HE       LYS  25   0.979  13.074  -6.788
  166   1HZ   LYS  25          1HZ       LYS  25   0.665  10.245  -7.631
  167   2HZ   LYS  25          2HZ       LYS  25   1.591  11.388  -8.465
  168   3HZ   LYS  25          3HZ       LYS  25  -0.081  11.600  -8.320
  Start of MODEL   20
    1   1H    ALA   1          1HT       ALA   1  -1.196   4.751   2.818
    2   2H    ALA   1          2HT       ALA   1  -1.941   5.535   4.151
    3   3H    ALA   1          3HT       ALA   1  -2.900   4.941   2.857
    4    HA   ALA   1           HA       ALA   1  -1.186   3.174   4.434
    5   1HB   ALA   1          1HB       ALA   1  -2.408   3.865   6.214
    6   2HB   ALA   1          2HB       ALA   1  -3.569   2.719   5.543
    7   3HB   ALA   1          3HB       ALA   1  -3.742   4.443   5.215
    8    H    VAL   2           H        VAL   2  -1.618   1.021   4.038
    9    HA   VAL   2           HA       VAL   2  -2.568   0.332   1.495
   10    HB   VAL   2           HB       VAL   2  -0.982  -1.055   2.780
   11   1HG1  VAL   2          1HG1      VAL   2  -2.453  -0.758   4.922
   12   2HG1  VAL   2          2HG1      VAL   2  -1.510  -2.229   4.684
   13   3HG1  VAL   2          3HG1      VAL   2  -3.239  -2.226   4.338
   14   1HG2  VAL   2          1HG2      VAL   2  -1.846  -2.241   1.003
   15   2HG2  VAL   2          2HG2      VAL   2  -3.485  -2.230   1.652
   16   3HG2  VAL   2          3HG2      VAL   2  -2.265  -3.288   2.358
   17    H    SER   3           H        SER   3  -4.186   0.560   4.579
   18    HA   SER   3           HA       SER   3  -6.476  -0.957   4.005
   19   1HB   SER   3          2HB       SER   3  -5.611   0.237   6.225
   20   2HB   SER   3          1HB       SER   3  -6.742   1.484   5.696
   21    HG   SER   3           HG       SER   3  -8.392   0.146   6.001
   22    H    ALA   4           H        ALA   4  -5.697   2.432   3.394
   23    HA   ALA   4           HA       ALA   4  -8.242   2.720   1.948
   24   1HB   ALA   4          1HB       ALA   4  -7.455   4.319   3.867
   25   2HB   ALA   4          2HB       ALA   4  -8.252   4.964   2.433
   26   3HB   ALA   4          3HB       ALA   4  -6.497   5.053   2.580
   27    H    CYS   5           H        CYS   5  -5.742   1.419   0.964
   28    HA   CYS   5           HA       CYS   5  -4.458   3.113  -0.896
   29   1HB   CYS   5          2HB       CYS   5  -3.356   1.096  -0.260
   30   2HB   CYS   5          1HB       CYS   5  -4.733   0.110  -0.728
   31    H    ALA   6           H        ALA   6  -4.861   3.573  -3.002
   32    HA   ALA   6           HA       ALA   6  -7.541   2.968  -3.976
   33   1HB   ALA   6          1HB       ALA   6  -7.265   5.181  -4.374
   34   2HB   ALA   6          2HB       ALA   6  -6.555   4.580  -5.871
   35   3HB   ALA   6          3HB       ALA   6  -5.513   5.047  -4.527
   36    H    LEU   7           H        LEU   7  -4.213   2.194  -4.611
   37    HA   LEU   7           HA       LEU   7  -4.528   1.213  -7.251
   38   1HB   LEU   7          2HB       LEU   7  -2.466   0.908  -5.111
   39   2HB   LEU   7          1HB       LEU   7  -2.402  -0.146  -6.510
   40    HG   LEU   7           HG       LEU   7  -2.526   2.833  -6.846
   41   1HD1  LEU   7          1HD1      LEU   7   0.144   1.819  -7.110
   42   2HD1  LEU   7          2HD1      LEU   7  -0.465   1.497  -5.487
   43   3HD1  LEU   7          3HD1      LEU   7  -0.456   3.146  -6.115
   44   1HD2  LEU   7          1HD2      LEU   7  -2.909   1.274  -8.763
   45   2HD2  LEU   7          2HD2      LEU   7  -1.259   0.694  -8.546
   46   3HD2  LEU   7          3HD2      LEU   7  -1.552   2.379  -8.975
   47    HA   PRO   8           HA       PRO   8  -6.439  -2.703  -6.549
   48   1HB   PRO   8          2HB       PRO   8  -5.478  -4.137  -8.631
   49   2HB   PRO   8          1HB       PRO   8  -6.658  -2.838  -8.839
   50   1HG   PRO   8          2HG       PRO   8  -3.692  -2.786  -9.247
   51   2HG   PRO   8          1HG       PRO   8  -4.973  -2.090 -10.257
   52   1HD   PRO   8          2HD       PRO   8  -3.505  -0.616  -8.510
   53   2HD   PRO   8          1HD       PRO   8  -5.189  -0.231  -8.918
   54    H    LYS   9           H        LYS   9  -5.948  -4.141  -5.031
   55    HA   LYS   9           HA       LYS   9  -4.856  -5.696  -3.788
   56   1HB   LYS   9          2HB       LYS   9  -4.530  -6.868  -5.909
   57   2HB   LYS   9          1HB       LYS   9  -3.083  -5.921  -6.227
   58   1HG   LYS   9          2HG       LYS   9  -1.829  -7.060  -4.681
   59   2HG   LYS   9          1HG       LYS   9  -3.237  -7.529  -3.725
   60   1HD   LYS   9          2HD       LYS   9  -2.666  -8.593  -6.486
   61   2HD   LYS   9          1HD       LYS   9  -2.143  -9.395  -5.003
   62   1HE   LYS   9          2HE       LYS   9  -4.988  -8.643  -5.110
   63   2HE   LYS   9          1HE       LYS   9  -4.489  -9.888  -6.255
   64   1HZ   LYS   9          1HZ       LYS   9  -4.128  -9.959  -3.308
   65   2HZ   LYS   9          2HZ       LYS   9  -3.540 -11.129  -4.377
   66   3HZ   LYS   9          3HZ       LYS   9  -5.208 -10.897  -4.211
   67    H    CYS  10           H        CYS  10  -2.062  -4.394  -5.566
   68    HA   CYS  10           HA       CYS  10  -0.215  -3.257  -4.887
   69   1HB   CYS  10          2HB       CYS  10  -2.334  -2.089  -3.462
   70   2HB   CYS  10          1HB       CYS  10  -1.064  -2.355  -2.272
   71    H    ALA  11           H        ALA  11  -1.475  -4.199  -1.697
   72    HA   ALA  11           HA       ALA  11   1.078  -5.355  -1.000
   73   1HB   ALA  11          1HB       ALA  11   0.418  -5.153   1.146
   74   2HB   ALA  11          2HB       ALA  11  -1.205  -5.759   0.816
   75   3HB   ALA  11          3HB       ALA  11  -0.800  -4.079   0.458
   76    H    ALA  12           H        ALA  12   1.553  -7.492  -0.696
   77    HA   ALA  12           HA       ALA  12  -0.539  -9.430  -1.443
   78   1HB   ALA  12          1HB       ALA  12   1.600 -10.770  -2.233
   79   2HB   ALA  12          2HB       ALA  12   2.253  -9.142  -2.416
   80   3HB   ALA  12          3HB       ALA  12   0.791  -9.609  -3.286
   81    H    ALA  13           H        ALA  13   0.510  -8.449   1.212
   82    HA   ALA  13           HA       ALA  13   0.440 -10.910   2.573
   83   1HB   ALA  13          1HB       ALA  13   2.691 -11.189   1.669
   84   2HB   ALA  13          2HB       ALA  13   2.723 -11.032   3.426
   85   3HB   ALA  13          3HB       ALA  13   3.182  -9.665   2.409
   86    H    ALA  14           H        ALA  14  -0.719  -8.263   2.695
   87    HA   ALA  14           HA       ALA  14  -1.264  -6.611   4.172
   88   1HB   ALA  14          1HB       ALA  14  -0.497  -8.344   6.459
   89   2HB   ALA  14          2HB       ALA  14  -1.736  -8.930   5.350
   90   3HB   ALA  14          3HB       ALA  14  -1.962  -7.398   6.195
   91    H    ASN  15           H        ASN  15   0.982  -5.794   3.266
   92    HA   ASN  15           HA       ASN  15   2.549  -4.997   5.625
   93   1HB   ASN  15          2HB       ASN  15   3.566  -6.760   3.854
   94   2HB   ASN  15          1HB       ASN  15   4.017  -5.256   3.057
   95   1HD2  ASN  15          1HD2      ASN  15   4.892  -3.586   4.735
   96   2HD2  ASN  15          2HD2      ASN  15   6.119  -4.203   5.783
   97    H    VAL  16           H        VAL  16   1.700  -3.060   5.808
   98    HA   VAL  16           HA       VAL  16   0.948  -1.230   3.910
   99    HB   VAL  16           HB       VAL  16   1.892  -1.099   6.719
  100   1HG1  VAL  16          1HG1      VAL  16   3.012   0.853   5.891
  101   2HG1  VAL  16          2HG1      VAL  16   1.560   1.390   6.736
  102   3HG1  VAL  16          3HG1      VAL  16   1.590   1.348   4.973
  103   1HG2  VAL  16          1HG2      VAL  16  -0.318  -0.051   7.034
  104   2HG2  VAL  16          2HG2      VAL  16  -0.417  -1.624   6.241
  105   3HG2  VAL  16          3HG2      VAL  16  -0.590  -0.146   5.294
  106    H    ALA  17           H        ALA  17   4.183  -1.788   5.250
  107    HA   ALA  17           HA       ALA  17   5.517   0.392   4.169
  108   1HB   ALA  17          1HB       ALA  17   6.970  -2.185   4.168
  109   2HB   ALA  17          2HB       ALA  17   6.282  -1.660   5.704
  110   3HB   ALA  17          3HB       ALA  17   7.426  -0.625   4.849
  111    H    ALA  18           H        ALA  18   5.088  -2.846   2.748
  112    HA   ALA  18           HA       ALA  18   6.398  -2.333   0.326
  113   1HB   ALA  18          1HB       ALA  18   5.637  -4.574   1.272
  114   2HB   ALA  18          2HB       ALA  18   5.459  -4.338  -0.468
  115   3HB   ALA  18          3HB       ALA  18   4.055  -4.197   0.589
  116    H    HIS  19           H        HIS  19   3.303  -1.355   1.490
  117    HA   HIS  19           HA       HIS  19   2.303  -0.712  -1.156
  118   1HB   HIS  19          2HB       HIS  19   0.484  -1.391   0.041
  119   2HB   HIS  19          1HB       HIS  19   1.161  -0.859   1.575
  120    HD2  HIS  19           2HD      HIS  19   0.205   1.453   2.523
  121    HE1  HIS  19           1HE      HIS  19  -1.700   2.747  -1.018
  122    HE2  HIS  19           2HE      HIS  19  -1.172   3.331   1.386
  123    H    MET  20           H        MET  20   2.653   1.178   1.865
  124    HA   MET  20           HA       MET  20   2.333   3.688   0.802
  125   1HB   MET  20          2HB       MET  20   2.887   2.755   3.266
  126   2HB   MET  20          1HB       MET  20   4.452   3.443   2.859
  127   1HG   MET  20          2HG       MET  20   2.927   5.494   2.141
  128   2HG   MET  20          1HG       MET  20   1.857   4.777   3.344
  129   1HE   MET  20          1HE       MET  20   2.262   6.857   5.614
  130   2HE   MET  20          2HE       MET  20   2.145   7.238   3.896
  131   3HE   MET  20          3HE       MET  20   3.453   7.919   4.863
  132    H    THR  21           H        THR  21   5.056   1.587   0.405
  133    HA   THR  21           HA       THR  21   7.133   3.331  -0.087
  134    HB   THR  21           HB       THR  21   7.347   0.874  -0.017
  135    HG1  THR  21           1HG      THR  21   8.326   2.154  -2.347
  136   1HG2  THR  21          1HG2      THR  21   6.641   0.637  -2.881
  137   2HG2  THR  21          2HG2      THR  21   5.328   0.635  -1.702
  138   3HG2  THR  21          3HG2      THR  21   6.611  -0.571  -1.596
  139    H    HIS  22           H        HIS  22   4.305   2.793  -2.021
  140    HA   HIS  22           HA       HIS  22   5.422   4.591  -4.078
  141   1HB   HIS  22          2HB       HIS  22   3.692   3.337  -5.602
  142   2HB   HIS  22          1HB       HIS  22   5.280   2.637  -5.308
  143    HD1  HIS  22           1HD      HIS  22   5.138   0.233  -4.893
  144    HD2  HIS  22           2HD      HIS  22   1.777   2.205  -3.409
  145    HE1  HIS  22           1HE      HIS  22   3.696  -1.554  -3.881
  146    HE2  HIS  22           2HE      HIS  22   1.789  -0.307  -2.823
  147    H    CYS  23           H        CYS  23   2.635   3.497  -2.295
  148    HA   CYS  23           HA       CYS  23   0.870   5.469  -3.415
  149   1HB   CYS  23          2HB       CYS  23   0.698   3.263  -1.420
  150   2HB   CYS  23          1HB       CYS  23  -0.547   4.496  -1.417
  151    H    ALA  24           H        ALA  24   1.409   7.523  -2.872
  152    HA   ALA  24           HA       ALA  24   1.032   8.330  -0.133
  153   1HB   ALA  24          1HB       ALA  24   3.130   8.928   0.463
  154   2HB   ALA  24          2HB       ALA  24   3.598   9.342  -1.186
  155   3HB   ALA  24          3HB       ALA  24   3.572   7.654  -0.674
  156    H    LYS  25           H        LYS  25  -0.214   8.813  -2.710
  157    HA   LYS  25           HA       LYS  25   0.406  11.630  -3.217
  158   1HB   LYS  25          2HB       LYS  25  -0.934   9.466  -4.758
  159   2HB   LYS  25          1HB       LYS  25  -1.467  11.116  -5.047
  160   1HG   LYS  25          2HG       LYS  25   0.552  11.758  -5.942
  161   2HG   LYS  25          1HG       LYS  25   1.447  10.487  -5.106
  162   1HD   LYS  25          2HD       LYS  25   1.332   9.971  -7.463
  163   2HD   LYS  25          1HD       LYS  25   0.353   8.813  -6.561
  164   1HE   LYS  25          2HE       LYS  25  -1.538  10.609  -7.075
  165   2HE   LYS  25          1HE       LYS  25  -0.477  10.955  -8.440
  166   1HZ   LYS  25          1HZ       LYS  25  -1.090   8.152  -7.923
  167   2HZ   LYS  25          2HZ       LYS  25  -0.903   8.965  -9.393
  168   3HZ   LYS  25          3HZ       LYS  25  -2.350   9.105  -8.529