*HEADER    TRANSFERASE                             12-AUG-04   1WO5              
*TITLE     SOLUTION STRUCTURE OF DESIGNED FUNCTIONAL FINGER 2 (DFF2):            
*TITLE    2 DESIGNED MUTANT BASED ON 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 1WO5    0                                                

remark input file: noe.cfm                                           
remark output file: noepep10.tbl                                      
set echo=false end
set wrnlev=0 end
! range |i-j| =     0
assign (resid   1 and name HA    )(resid   1 and name HG*   )  0.00  0.00  3.90
assign (resid   3 and name HN    )(resid   3 and name HB    )  0.00  0.00  3.30
assign (resid   3 and name HA    )(resid   3 and name HB    )  0.00  0.00  2.55
assign (resid   5 and name HN    )(resid   5 and name HB2   )  0.00  0.00  3.49
assign (resid   5 and name HN    )(resid   5 and name HB1   )  0.00  0.00  3.49
assign (resid   7 and name HN    )(resid   7 and name HB2   )  0.00  0.00  4.05
assign (resid   7 and name HN    )(resid   7 and name HB1   )  0.00  0.00  4.05
assign (resid   7 and name HN    )(resid   7 and name HB*   )  0.00  0.00  3.68
assign (resid   7 and name HN    )(resid   7 and name HG    )  0.00  0.00  3.55
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   8 and name HN    )(resid   8 and name HG*   )  0.00  0.00  5.07
assign (resid   8 and name HA    )(resid   8 and name HG*   )  0.00  0.00  3.93
assign (resid  10 and name HN    )(resid  10 and name HB2   )  0.00  0.00  3.49
assign (resid  10 and name HN    )(resid  10 and name HB1   )  0.00  0.00  3.49
assign (resid  14 and name HN    )(resid  14 and name HA    )  0.00  0.00  2.49
assign (resid  15 and name HN    )(resid  15 and name HB2   )  0.00  0.00  3.49
assign (resid  15 and name HN    )(resid  15 and name HB1   )  0.00  0.00  3.49
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  3.08
assign (resid  17 and name HN    )(resid  17 and name HA    )  0.00  0.00  2.93
assign (resid  19 and name HN    )(resid  19 and name HB2   )  0.00  0.00  3.52
assign (resid  19 and name HN    )(resid  19 and name HB1   )  0.00  0.00  3.52
assign (resid  19 and name HN    )(resid  19 and name HB*   )  0.00  0.00  3.28
assign (resid  20 and name HN    )(resid  20 and name HG*   )  0.00  0.00  4.49
assign (resid  21 and name HN    )(resid  21 and name HB    )  0.00  0.00  3.33
assign (resid  21 and name HN    )(resid  21 and name HG2*  )  0.00  0.00  4.11
assign (resid  21 and name HA    )(resid  21 and name HB    )  0.00  0.00  2.65
assign (resid  21 and name HA    )(resid  21 and name HG2*  )  0.00  0.00  3.61
assign (resid  22 and name HN    )(resid  22 and name HA    )  0.00  0.00  2.80
assign (resid  22 and name HN    )(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  3.46
assign (resid  23 and name HN    )(resid  23 and name HB1   )  0.00  0.00  3.46
assign (resid  25 and name HN    )(resid  25 and name HD*   )  0.00  0.00  5.32
! total in this range:     35
! range |i-j| =     1
assign (resid   2 and name HG1*  )(resid   3 and name HD*   )  0.00  0.00  7.43
assign (resid   2 and name HG2*  )(resid   3 and name HD*   )  0.00  0.00  7.43
assign (resid   2 and name HG*   )(resid   3 and name HN    )  0.00  0.00  7.13
assign (resid   2 and name HG*   )(resid   3 and name HA    )  0.00  0.00  8.09
assign (resid   2 and name HG*   )(resid   3 and name HD*   )  0.00  0.00  6.97
assign (resid   3 and name HG2*  )(resid   4 and name HN    )  0.00  0.00  5.16
assign (resid   4 and name HA    )(resid   5 and name HN    )  0.00  0.00  3.52
assign (resid   5 and name HA    )(resid   6 and name HN    )  0.00  0.00  2.71
assign (resid   6 and name HN    )(resid   7 and name HN    )  0.00  0.00  3.27
assign (resid   6 and name HD*   )(resid   7 and name HG    )  0.00  0.00  7.62
assign (resid   6 and name HD*   )(resid   7 and name HD*   )  0.00  0.00  9.75
assign (resid   6 and name HE*   )(resid   7 and name HD1*  )  0.00  0.00  8.65
assign (resid   6 and name HE*   )(resid   7 and name HD2*  )  0.00  0.00  8.65
assign (resid  10 and name HN    )(resid  11 and name HN    )  0.00  0.00  2.93
assign (resid  10 and name HB2   )(resid  11 and name HN    )  0.00  0.00  3.86
assign (resid  10 and name HB1   )(resid  11 and name HN    )  0.00  0.00  3.86
assign (resid  10 and name HB*   )(resid  11 and name HN    )  0.00  0.00  3.56
assign (resid  11 and name HN    )(resid  12 and name HN    )  0.00  0.00  3.21
assign (resid  11 and name HA    )(resid  12 and name HN    )  0.00  0.00  3.64
assign (resid  13 and name HA    )(resid  14 and name HN    )  0.00  0.00  3.27
assign (resid  14 and name HN    )(resid  15 and name HN    )  0.00  0.00  3.86
assign (resid  14 and name HA    )(resid  15 and name HN    )  0.00  0.00  3.42
assign (resid  15 and name HA    )(resid  16 and name HN    )  0.00  0.00  2.86
assign (resid  16 and name HN    )(resid  17 and name HN    )  0.00  0.00  3.61
assign (resid  16 and name HB    )(resid  17 and name HN    )  0.00  0.00  2.96
assign (resid  16 and name HG1*  )(resid  17 and name HN    )  0.00  0.00  5.57
assign (resid  16 and name HG2*  )(resid  17 and name HN    )  0.00  0.00  5.57
assign (resid  17 and name HN    )(resid  18 and name HN    )  0.00  0.00  3.05
assign (resid  19 and name HN    )(resid  20 and name HN    )  0.00  0.00  2.96
assign (resid  19 and name HB2   )(resid  20 and name HN    )  0.00  0.00  4.17
assign (resid  19 and name HB1   )(resid  20 and name HN    )  0.00  0.00  4.17
assign (resid  19 and name HB*   )(resid  20 and name HN    )  0.00  0.00  3.91
assign (resid  19 and name HD2   )(resid  20 and name HN    )  0.00  0.00  5.22
assign (resid  19 and name HD2   )(resid  20 and name HA    )  0.00  0.00  4.51
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  6.19
assign (resid  20 and name HN    )(resid  21 and name HN    )  0.00  0.00  3.39
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  4.07
assign (resid  22 and name HN    )(resid  23 and name HN    )  0.00  0.00  2.55
assign (resid  22 and name HA    )(resid  23 and name HN    )  0.00  0.00  3.17
assign (resid  22 and name HD2   )(resid  23 and name HN    )  0.00  0.00  4.66
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  4.70
assign (resid  24 and name HA    )(resid  25 and name HN    )  0.00  0.00  3.14
! total in this range:     46
! range |i-j| =     2
assign (resid   1 and name HD*   )(resid   3 and name HG2*  )  0.00  0.00  6.94
assign (resid   5 and name HA    )(resid   7 and name HN    )  0.00  0.00  4.32
assign (resid   8 and name HB*   )(resid  10 and name HN    )  0.00  0.00  5.85
assign (resid   8 and name HG*   )(resid  10 and name HN    )  0.00  0.00  6.22
assign (resid  13 and name HB*   )(resid  15 and name HN    )  0.00  0.00  5.48
assign (resid  13 and name HB*   )(resid  15 and name HB2   )  0.00  0.00  6.19
assign (resid  13 and name HB*   )(resid  15 and name HB1   )  0.00  0.00  6.19
assign (resid  13 and name HB*   )(resid  15 and name HB*   )  0.00  0.00  5.93
assign (resid  15 and name HA    )(resid  17 and name HN    )  0.00  0.00  4.97
! total in this range:      9
! range |i-j| =     3
assign (resid   7 and name HB2   )(resid  10 and name HN    )  0.00  0.00  4.48
assign (resid   7 and name HB2   )(resid  10 and name HB2   )  0.00  0.00  7.16
assign (resid   7 and name HB2   )(resid  10 and name HB1   )  0.00  0.00  7.16
assign (resid   7 and name HB1   )(resid  10 and name HN    )  0.00  0.00  4.48
assign (resid   7 and name HB1   )(resid  10 and name HB2   )  0.00  0.00  7.16
assign (resid   7 and name HB1   )(resid  10 and name HB1   )  0.00  0.00  7.16
assign (resid   7 and name HB*   )(resid  10 and name HB*   )  0.00  0.00  6.21
assign (resid   7 and name HD*   )(resid  10 and name HB*   )  0.00  0.00  8.89
assign (resid  16 and name HA    )(resid  19 and name HN    )  0.00  0.00  4.14
assign (resid  16 and name HA    )(resid  19 and name HB2   )  0.00  0.00  4.29
assign (resid  16 and name HA    )(resid  19 and name HB1   )  0.00  0.00  4.29
assign (resid  16 and name HA    )(resid  19 and name HB*   )  0.00  0.00  4.00
assign (resid  16 and name HA    )(resid  19 and name HD2   )  0.00  0.00  5.50
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  3.70
assign (resid  19 and name HE1   )(resid  22 and name HD2   )  0.00  0.00  4.20
assign (resid  20 and name HA    )(resid  23 and name HN    )  0.00  0.00  3.27
assign (resid  20 and name HA    )(resid  23 and name HB2   )  0.00  0.00  3.55
assign (resid  20 and name HA    )(resid  23 and name HB1   )  0.00  0.00  3.55
! total in this range:     20
! range |i-j| =     4
assign (resid   7 and name HB*   )(resid  11 and name HN    )  0.00  0.00  5.55
assign (resid   8 and name HA    )(resid  12 and name HN    )  0.00  0.00  3.92
assign (resid   8 and name HA    )(resid  12 and name HB*   )  0.00  0.00  4.76
assign (resid  16 and name HG*   )(resid  20 and name HG*   )  0.00  0.00  7.66
assign (resid  19 and name HD2   )(resid  23 and name HB2   )  0.00  0.00  4.51
assign (resid  19 and name HD2   )(resid  23 and name HB1   )  0.00  0.00  4.51
assign (resid  19 and name HE1   )(resid  23 and name HB2   )  0.00  0.00  5.66
assign (resid  19 and name HE1   )(resid  23 and name HB1   )  0.00  0.00  5.66
assign (resid  19 and name HE1   )(resid  23 and name HB*   )  0.00  0.00  5.04
! total in this range:      9
! range |i-j| =     6
assign (resid   5 and name HB2   )(resid  11 and name HN    )  0.00  0.00  6.00
assign (resid   5 and name HB2   )(resid  11 and name HB*   )  0.00  0.00  5.45
assign (resid   5 and name HB1   )(resid  11 and name HN    )  0.00  0.00  6.00
assign (resid   5 and name HB1   )(resid  11 and name HB*   )  0.00  0.00  5.45
assign (resid   5 and name HB*   )(resid  11 and name HN    )  0.00  0.00  5.33
assign (resid   5 and name HB*   )(resid  11 and name HB*   )  0.00  0.00  5.10
! total in this range:      6
! range |i-j| =     8
assign (resid   2 and name HG*   )(resid  10 and name HA    )  0.00  0.00  5.45
! total in this range:      1
! range |i-j| =    12
assign (resid   2 and name HG1*  )(resid  14 and name HA    )  0.00  0.00  4.67
assign (resid   2 and name HG2*  )(resid  14 and name HA    )  0.00  0.00  4.67
assign (resid   2 and name HG*   )(resid  14 and name HN    )  0.00  0.00  6.57
assign (resid   2 and name HG*   )(resid  14 and name HA    )  0.00  0.00  4.03
! total in this range:      4
! range |i-j| =    13
assign (resid   2 and name HG*   )(resid  15 and name HN    )  0.00  0.00  6.88
! total in this range:      1
! range |i-j| =    14
assign (resid   2 and name HG1*  )(resid  16 and name HA    )  0.00  0.00  6.40
assign (resid   2 and name HG2*  )(resid  16 and name HA    )  0.00  0.00  6.40
assign (resid   2 and name HG*   )(resid  16 and name HA    )  0.00  0.00  6.00
assign (resid   5 and name HB2   )(resid  19 and name HE1   )  0.00  0.00  4.11
assign (resid   5 and name HB1   )(resid  19 and name HE1   )  0.00  0.00  4.11
assign (resid   5 and name HB*   )(resid  19 and name HE1   )  0.00  0.00  3.75
! total in this range:      6
! range |i-j| =    15
assign (resid   7 and name HD*   )(resid  22 and name HD2   )  0.00  0.00  7.69
assign (resid   7 and name HD*   )(resid  22 and name HE1   )  0.00  0.00  6.67
! total in this range:      2
! range |i-j| =    16
assign (resid   6 and name HE*   )(resid  22 and name HD2   )  0.00  0.00  7.62
! total in this range:      1
! range |i-j| =    17
assign (resid   2 and name HB    )(resid  19 and name HD2   )  0.00  0.00  3.89
assign (resid   2 and name HG1*  )(resid  19 and name HB2   )  0.00  0.00  8.57
assign (resid   2 and name HG1*  )(resid  19 and name HB1   )  0.00  0.00  8.57
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 HB2   )  0.00  0.00  8.57
assign (resid   2 and name HG2*  )(resid  19 and name HB1   )  0.00  0.00  8.57
assign (resid   2 and name HG2*  )(resid  19 and name HD2   )  0.00  0.00  6.53
assign (resid   2 and name HG*   )(resid  19 and name HN    )  0.00  0.00  7.53
assign (resid   2 and name HG*   )(resid  19 and name HB*   )  0.00  0.00  6.74
assign (resid   2 and name HG*   )(resid  19 and name HD2   )  0.00  0.00  6.07
! total in this range:     10
! total constraints:      150
set echo=true end
set wrnlev=5 end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          1HT       ARG   1  -1.035  -1.771   7.130
    2   2H    ARG   1          2HT       ARG   1  -1.357  -0.911   8.580
    3   3H    ARG   1          3HT       ARG   1  -1.339  -0.085   7.076
    4    HA   ARG   1           HA       ARG   1  -3.303  -1.990   8.122
    5   1HB   ARG   1          2HB       ARG   1  -3.200   0.660   8.345
    6   2HB   ARG   1          1HB       ARG   1  -3.893   0.581   6.732
    7   1HG   ARG   1          2HG       ARG   1  -5.783   0.666   8.011
    8   2HG   ARG   1          1HG       ARG   1  -5.570  -1.079   7.857
    9   1HD   ARG   1          2HD       ARG   1  -4.588   0.577  10.177
   10   2HD   ARG   1          1HD       ARG   1  -6.091  -0.345  10.167
   11    HE   ARG   1           HE       ARG   1  -3.432  -1.370  10.507
   12   1HH1  ARG   1          1HH1      ARG   1  -6.674  -2.144   9.472
   13   2HH1  ARG   1          2HH1      ARG   1  -6.497  -3.841   9.765
   14   1HH2  ARG   1          1HH2      ARG   1  -3.197  -3.602  10.893
   15   2HH2  ARG   1          2HH2      ARG   1  -4.523  -4.670  10.572
   16    H    VAL   2           H        VAL   2  -1.775  -0.743   5.243
   17    HA   VAL   2           HA       VAL   2  -2.134  -1.079   3.009
   18    HB   VAL   2           HB       VAL   2  -1.128  -3.219   3.741
   19   1HG1  VAL   2          1HG1      VAL   2  -4.002  -4.086   3.964
   20   2HG1  VAL   2          2HG1      VAL   2  -2.770  -4.088   5.227
   21   3HG1  VAL   2          3HG1      VAL   2  -2.646  -5.210   3.871
   22   1HG2  VAL   2          1HG2      VAL   2  -3.095  -3.952   1.630
   23   2HG2  VAL   2          2HG2      VAL   2  -1.353  -4.217   1.691
   24   3HG2  VAL   2          3HG2      VAL   2  -1.989  -2.610   1.334
   25    H    ILE   3           H        ILE   3  -4.485  -0.175   4.463
   26    HA   ILE   3           HA       ILE   3  -6.711  -1.574   3.216
   27    HB   ILE   3           HB       ILE   3  -6.946  -0.798   5.536
   28   1HG1  ILE   3          2HG1      ILE   3  -8.872   0.966   4.148
   29   2HG1  ILE   3          1HG1      ILE   3  -8.816  -0.699   3.577
   30   1HG2  ILE   3          1HG2      ILE   3  -5.556   1.188   5.432
   31   2HG2  ILE   3          2HG2      ILE   3  -7.167   1.597   6.020
   32   3HG2  ILE   3          3HG2      ILE   3  -6.715   1.966   4.356
   33   1HD1  ILE   3          1HD1      ILE   3 -10.184  -1.221   5.232
   34   2HD1  ILE   3          2HD1      ILE   3 -10.022   0.385   5.944
   35   3HD1  ILE   3          3HD1      ILE   3  -8.867  -0.883   6.355
   36    H    ALA   4           H        ALA   4  -5.038   1.524   3.019
   37    HA   ALA   4           HA       ALA   4  -6.806   2.796   1.235
   38   1HB   ALA   4          1HB       ALA   4  -3.868   3.209   1.751
   39   2HB   ALA   4          2HB       ALA   4  -5.221   4.116   2.428
   40   3HB   ALA   4          3HB       ALA   4  -4.836   4.253   0.712
   41    H    CYS   5           H        CYS   5  -4.340   0.403   0.765
   42    HA   CYS   5           HA       CYS   5  -3.700   0.764  -1.915
   43   1HB   CYS   5          2HB       CYS   5  -2.651  -0.864  -0.290
   44   2HB   CYS   5          1HB       CYS   5  -4.032  -1.919  -0.567
   45    H    PHE   6           H        PHE   6  -4.994   0.867  -3.618
   46    HA   PHE   6           HA       PHE   6  -7.569  -0.526  -3.558
   47   1HB   PHE   6          2HB       PHE   6  -8.184   0.909  -5.443
   48   2HB   PHE   6          1HB       PHE   6  -7.597   1.873  -4.092
   49    HD1  PHE   6           1HD      PHE   6  -5.382   2.931  -4.195
   50    HD2  PHE   6           2HD      PHE   6  -7.026   0.848  -7.522
   51    HE1  PHE   6           1HE      PHE   6  -3.740   4.010  -5.676
   52    HE2  PHE   6           2HE      PHE   6  -5.386   1.923  -9.010
   53    HZ   PHE   6           HZ       PHE   6  -3.741   3.506  -8.087
   54    H    LEU   7           H        LEU   7  -5.074  -1.965  -3.987
   55    HA   LEU   7           HA       LEU   7  -5.558  -2.942  -6.726
   56   1HB   LEU   7          2HB       LEU   7  -3.036  -2.466  -5.217
   57   2HB   LEU   7          1HB       LEU   7  -3.087  -3.829  -6.320
   58    HG   LEU   7           HG       LEU   7  -3.717  -0.992  -7.128
   59   1HD1  LEU   7          1HD1      LEU   7  -1.340  -1.421  -6.342
   60   2HD1  LEU   7          2HD1      LEU   7  -1.534  -0.778  -7.972
   61   3HD1  LEU   7          3HD1      LEU   7  -1.187  -2.491  -7.736
   62   1HD2  LEU   7          1HD2      LEU   7  -2.855  -3.041  -9.068
   63   2HD2  LEU   7          2HD2      LEU   7  -4.050  -1.755  -9.228
   64   3HD2  LEU   7          3HD2      LEU   7  -4.467  -3.245  -8.382
   65    H    LYS   8           H        LYS   8  -4.703  -5.279  -6.962
   66    HA   LYS   8           HA       LYS   8  -5.932  -6.836  -4.818
   67   1HB   LYS   8          2HB       LYS   8  -5.153  -7.528  -7.649
   68   2HB   LYS   8          1HB       LYS   8  -5.752  -8.716  -6.501
   69   1HG   LYS   8          2HG       LYS   8  -7.722  -8.209  -7.465
   70   2HG   LYS   8          1HG       LYS   8  -7.699  -6.894  -6.288
   71   1HD   LYS   8          2HD       LYS   8  -7.145  -5.309  -7.874
   72   2HD   LYS   8          1HD       LYS   8  -6.428  -6.498  -8.962
   73   1HE   LYS   8          2HE       LYS   8  -8.994  -7.355  -8.897
   74   2HE   LYS   8          1HE       LYS   8  -9.224  -5.620  -8.687
   75   1HZ   LYS   8          1HZ       LYS   8  -7.683  -5.398 -10.682
   76   2HZ   LYS   8          2HZ       LYS   8  -9.254  -5.951 -10.978
   77   3HZ   LYS   8          3HZ       LYS   8  -7.966  -7.046 -10.949
   78    H    VAL   9           H        VAL   9  -3.242  -7.630  -7.002
   79    HA   VAL   9           HA       VAL   9  -1.934  -9.322  -5.215
   80    HB   VAL   9           HB       VAL   9  -1.474  -9.312  -7.626
   81   1HG1  VAL   9          1HG1      VAL   9  -0.094  -6.690  -7.066
   82   2HG1  VAL   9          2HG1      VAL   9  -1.523  -6.941  -8.069
   83   3HG1  VAL   9          3HG1      VAL   9   0.035  -7.598  -8.572
   84   1HG2  VAL   9          1HG2      VAL   9   0.712  -9.996  -7.444
   85   2HG2  VAL   9          2HG2      VAL   9   0.210 -10.033  -5.753
   86   3HG2  VAL   9          3HG2      VAL   9   1.152  -8.672  -6.365
   87    H    CYS  10           H        CYS  10  -1.643  -5.853  -5.707
   88    HA   CYS  10           HA       CYS  10   0.693  -5.425  -4.203
   89   1HB   CYS  10          2HB       CYS  10  -0.566  -3.806  -5.766
   90   2HB   CYS  10          1HB       CYS  10  -1.564  -3.443  -4.364
   91    H    ALA  11           H        ALA  11  -2.705  -4.917  -3.240
   92    HA   ALA  11           HA       ALA  11  -2.066  -4.545  -0.492
   93   1HB   ALA  11          1HB       ALA  11  -4.213  -3.932  -1.980
   94   2HB   ALA  11          2HB       ALA  11  -4.251  -4.038  -0.220
   95   3HB   ALA  11          3HB       ALA  11  -4.802  -5.399  -1.197
   96    H    ALA  12           H        ALA  12  -2.837  -7.316  -2.459
   97    HA   ALA  12           HA       ALA  12  -3.296  -9.048  -0.183
   98   1HB   ALA  12          1HB       ALA  12  -3.878 -10.711  -1.715
   99   2HB   ALA  12          2HB       ALA  12  -2.947  -9.969  -3.015
  100   3HB   ALA  12          3HB       ALA  12  -4.444  -9.218  -2.463
  101    H    ALA  13           H        ALA  13  -0.700  -7.788  -0.260
  102    HA   ALA  13           HA       ALA  13   1.050 -10.084  -0.806
  103   1HB   ALA  13          1HB       ALA  13   1.589  -7.135  -0.706
  104   2HB   ALA  13          2HB       ALA  13   1.846  -8.260  -2.039
  105   3HB   ALA  13          3HB       ALA  13   2.888  -8.324  -0.618
  106    H    ALA  14           H        ALA  14  -0.521  -8.601   1.702
  107    HA   ALA  14           HA       ALA  14  -0.307  -8.593   3.968
  108   1HB   ALA  14          1HB       ALA  14   1.590 -10.870   3.906
  109   2HB   ALA  14          2HB       ALA  14   0.002 -11.111   3.179
  110   3HB   ALA  14          3HB       ALA  14   0.134 -10.632   4.872
  111    H    ASN  15           H        ASN  15   1.683  -7.084   2.379
  112    HA   ASN  15           HA       ASN  15   3.676  -6.781   4.508
  113   1HB   ASN  15          2HB       ASN  15   4.281  -7.919   2.042
  114   2HB   ASN  15          1HB       ASN  15   4.809  -6.248   1.876
  115   1HD2  ASN  15          1HD2      ASN  15   5.529  -5.768   4.537
  116   2HD2  ASN  15          2HD2      ASN  15   6.932  -6.708   4.899
  117    H    VAL  16           H        VAL  16   2.181  -5.028   5.047
  118    HA   VAL  16           HA       VAL  16   1.587  -2.873   3.379
  119    HB   VAL  16           HB       VAL  16   2.055  -2.645   6.350
  120   1HG1  VAL  16          1HG1      VAL  16   0.058  -1.209   4.616
  121   2HG1  VAL  16          2HG1      VAL  16   1.665  -0.576   4.969
  122   3HG1  VAL  16          3HG1      VAL  16   0.515  -0.841   6.279
  123   1HG2  VAL  16          1HG2      VAL  16  -0.695  -3.081   5.678
  124   2HG2  VAL  16          2HG2      VAL  16   0.342  -3.996   6.771
  125   3HG2  VAL  16          3HG2      VAL  16   0.283  -4.410   5.058
  126    H    ALA  17           H        ALA  17   4.178  -3.093   5.828
  127    HA   ALA  17           HA       ALA  17   5.394  -0.654   5.324
  128   1HB   ALA  17          1HB       ALA  17   5.857  -2.426   7.157
  129   2HB   ALA  17          2HB       ALA  17   7.179  -1.401   6.598
  130   3HB   ALA  17          3HB       ALA  17   7.039  -3.057   6.010
  131    H    ALA  18           H        ALA  18   5.586  -3.646   3.543
  132    HA   ALA  18           HA       ALA  18   7.821  -2.760   1.930
  133   1HB   ALA  18          1HB       ALA  18   7.969  -4.894   1.191
  134   2HB   ALA  18          2HB       ALA  18   6.221  -5.088   1.065
  135   3HB   ALA  18          3HB       ALA  18   7.011  -5.217   2.636
  136    H    HIS  19           H        HIS  19   4.329  -3.027   1.670
  137    HA   HIS  19           HA       HIS  19   4.238  -2.396  -1.119
  138   1HB   HIS  19          2HB       HIS  19   2.152  -3.169  -0.882
  139   2HB   HIS  19          1HB       HIS  19   2.414  -3.311   0.847
  140    HD2  HIS  19           2HD      HIS  19   1.661  -0.915   2.303
  141    HE1  HIS  19           1HE      HIS  19  -1.038   0.253  -0.721
  142    HE2  HIS  19           2HE      HIS  19  -0.212   0.732   1.622
  143    H    MET  20           H        MET  20   4.028  -0.590   1.871
  144    HA   MET  20           HA       MET  20   2.962   1.804   1.114
  145   1HB   MET  20          2HB       MET  20   5.073   1.037   3.068
  146   2HB   MET  20          1HB       MET  20   4.855   2.749   2.728
  147   1HG   MET  20          2HG       MET  20   2.309   2.088   3.142
  148   2HG   MET  20          1HG       MET  20   3.079   0.845   4.127
  149   1HE   MET  20          1HE       MET  20   1.073   2.835   4.902
  150   2HE   MET  20          2HE       MET  20   1.602   4.511   4.756
  151   3HE   MET  20          3HE       MET  20   1.590   3.724   6.334
  152    H    THR  21           H        THR  21   6.069   0.522   0.189
  153    HA   THR  21           HA       THR  21   7.364   2.868  -0.589
  154    HB   THR  21           HB       THR  21   8.446   0.645  -0.434
  155    HG1  THR  21           1HG      THR  21   9.870   1.102  -1.994
  156   1HG2  THR  21          1HG2      THR  21   7.441   0.006  -3.170
  157   2HG2  THR  21          2HG2      THR  21   6.554  -0.517  -1.739
  158   3HG2  THR  21          3HG2      THR  21   8.218  -1.044  -1.987
  159    H    HIS  22           H        HIS  22   5.253   0.729  -2.490
  160    HA   HIS  22           HA       HIS  22   5.225   2.705  -4.636
  161   1HB   HIS  22          2HB       HIS  22   4.037   0.841  -5.898
  162   2HB   HIS  22          1HB       HIS  22   5.725   0.554  -5.483
  163    HD1  HIS  22           1HD      HIS  22   5.909  -1.860  -5.025
  164    HD2  HIS  22           2HD      HIS  22   2.492  -0.229  -3.280
  165    HE1  HIS  22           1HE      HIS  22   4.874  -3.725  -3.698
  166    HE2  HIS  22           2HE      HIS  22   2.836  -2.708  -2.626
  167    H    CYS  23           H        CYS  23   3.624   2.563  -1.954
  168    HA   CYS  23           HA       CYS  23   1.111   3.389  -3.175
  169   1HB   CYS  23          2HB       CYS  23   1.559   0.989  -1.559
  170   2HB   CYS  23          1HB       CYS  23   0.241   1.991  -0.977
  171    H    ALA  24           H        ALA  24   3.325   4.785  -1.865
  172    HA   ALA  24           HA       ALA  24   2.410   5.541   0.759
  173   1HB   ALA  24          1HB       ALA  24   4.840   5.573  -0.392
  174   2HB   ALA  24          2HB       ALA  24   4.407   6.568   0.998
  175   3HB   ALA  24          3HB       ALA  24   4.370   7.256  -0.626
  176    H    LYS  25           H        LYS  25   2.739   8.239   0.871
  177    HA   LYS  25           HA       LYS  25   0.306   9.162  -0.402
  178   1HB   LYS  25          2HB       LYS  25   2.162  10.342   1.654
  179   2HB   LYS  25          1HB       LYS  25   0.864  11.284   0.932
  180   1HG   LYS  25          2HG       LYS  25   0.171   8.644   2.090
  181   2HG   LYS  25          1HG       LYS  25   0.554   9.962   3.199
  182   1HD   LYS  25          2HD       LYS  25  -1.108  11.274   1.588
  183   2HD   LYS  25          1HD       LYS  25  -1.733   9.643   1.333
  184   1HE   LYS  25          2HE       LYS  25  -2.320   9.388   3.575
  185   2HE   LYS  25          1HE       LYS  25  -1.259  10.695   4.098
  186   1HZ   LYS  25          1HZ       LYS  25  -2.875  12.075   2.566
  187   2HZ   LYS  25          2HZ       LYS  25  -3.248  11.754   4.184
  188   3HZ   LYS  25          3HZ       LYS  25  -3.946  10.825   2.956
  Start of MODEL    2
    1   1H    ARG   1          1HT       ARG   1  -2.338   1.170   7.941
    2   2H    ARG   1          2HT       ARG   1  -0.898   0.277   8.216
    3   3H    ARG   1          3HT       ARG   1  -2.133   0.308   9.408
    4    HA   ARG   1           HA       ARG   1  -1.988  -1.743   8.075
    5   1HB   ARG   1          2HB       ARG   1  -4.419  -0.002   8.337
    6   2HB   ARG   1          1HB       ARG   1  -4.553  -1.586   7.588
    7   1HG   ARG   1          2HG       ARG   1  -3.595  -2.592   9.635
    8   2HG   ARG   1          1HG       ARG   1  -3.602  -0.992  10.381
    9   1HD   ARG   1          2HD       ARG   1  -5.840  -1.000  10.691
   10   2HD   ARG   1          1HD       ARG   1  -6.151  -1.856   9.182
   11    HE   ARG   1           HE       ARG   1  -4.927  -3.537  11.136
   12   1HH1  ARG   1          1HH1      ARG   1  -7.973  -2.147  10.149
   13   2HH1  ARG   1          2HH1      ARG   1  -8.922  -3.404  10.869
   14   1HH2  ARG   1          1HH2      ARG   1  -6.174  -5.191  12.081
   15   2HH2  ARG   1          2HH2      ARG   1  -7.901  -5.132  11.966
   16    H    VAL   2           H        VAL   2  -2.090  -2.718   6.102
   17    HA   VAL   2           HA       VAL   2  -1.908  -0.972   3.785
   18    HB   VAL   2           HB       VAL   2  -0.248  -2.757   4.049
   19   1HG1  VAL   2          1HG1      VAL   2  -1.023  -4.642   4.988
   20   2HG1  VAL   2          2HG1      VAL   2  -1.418  -5.104   3.333
   21   3HG1  VAL   2          3HG1      VAL   2  -2.656  -4.398   4.370
   22   1HG2  VAL   2          1HG2      VAL   2  -1.100  -3.963   1.729
   23   2HG2  VAL   2          2HG2      VAL   2  -0.193  -2.455   1.836
   24   3HG2  VAL   2          3HG2      VAL   2  -1.951  -2.419   1.709
   25    H    ILE   3           H        ILE   3  -4.403  -0.726   4.584
   26    HA   ILE   3           HA       ILE   3  -6.002  -2.573   2.941
   27    HB   ILE   3           HB       ILE   3  -6.662  -2.522   5.297
   28   1HG1  ILE   3          2HG1      ILE   3  -8.895  -1.041   4.017
   29   2HG1  ILE   3          1HG1      ILE   3  -8.314  -2.472   3.175
   30   1HG2  ILE   3          1HG2      ILE   3  -6.547   0.380   4.854
   31   2HG2  ILE   3          2HG2      ILE   3  -6.278  -0.558   6.321
   32   3HG2  ILE   3          3HG2      ILE   3  -7.922  -0.183   5.804
   33   1HD1  ILE   3          1HD1      ILE   3  -9.754  -3.572   4.469
   34   2HD1  ILE   3          2HD1      ILE   3  -9.888  -2.238   5.614
   35   3HD1  ILE   3          3HD1      ILE   3  -8.546  -3.376   5.737
   36    H    ALA   4           H        ALA   4  -5.042   0.728   3.376
   37    HA   ALA   4           HA       ALA   4  -7.075   2.054   1.987
   38   1HB   ALA   4          1HB       ALA   4  -4.174   2.852   1.954
   39   2HB   ALA   4          2HB       ALA   4  -5.227   3.093   3.348
   40   3HB   ALA   4          3HB       ALA   4  -5.591   3.894   1.820
   41    H    CYS   5           H        CYS   5  -4.363   0.177   0.848
   42    HA   CYS   5           HA       CYS   5  -4.210   1.088  -1.790
   43   1HB   CYS   5          2HB       CYS   5  -2.649  -0.528  -0.548
   44   2HB   CYS   5          1HB       CYS   5  -3.789  -1.789  -1.003
   45    H    PHE   6           H        PHE   6  -4.916  -0.045  -3.753
   46    HA   PHE   6           HA       PHE   6  -7.430  -1.524  -3.444
   47   1HB   PHE   6          2HB       PHE   6  -8.491  -0.181  -5.201
   48   2HB   PHE   6          1HB       PHE   6  -8.035   0.822  -3.828
   49    HD1  PHE   6           1HD      PHE   6  -5.557   1.823  -4.057
   50    HD2  PHE   6           2HD      PHE   6  -8.073   0.659  -7.286
   51    HE1  PHE   6           1HE      PHE   6  -4.311   3.318  -5.562
   52    HE2  PHE   6           2HE      PHE   6  -6.830   2.151  -8.798
   53    HZ   PHE   6           HZ       PHE   6  -4.946   3.483  -7.936
   54    H    LEU   7           H        LEU   7  -4.728  -2.354  -4.134
   55    HA   LEU   7           HA       LEU   7  -5.144  -3.206  -6.924
   56   1HB   LEU   7          2HB       LEU   7  -2.677  -2.599  -5.345
   57   2HB   LEU   7          1HB       LEU   7  -2.590  -3.748  -6.667
   58    HG   LEU   7           HG       LEU   7  -3.816  -1.086  -7.203
   59   1HD1  LEU   7          1HD1      LEU   7  -0.866  -1.588  -6.876
   60   2HD1  LEU   7          2HD1      LEU   7  -1.859  -0.418  -6.008
   61   3HD1  LEU   7          3HD1      LEU   7  -1.546  -0.203  -7.730
   62   1HD2  LEU   7          1HD2      LEU   7  -1.860  -2.371  -8.999
   63   2HD2  LEU   7          2HD2      LEU   7  -3.395  -1.585  -9.365
   64   3HD2  LEU   7          3HD2      LEU   7  -3.375  -3.237  -8.748
   65    H    LYS   8           H        LYS   8  -4.416  -5.380  -7.471
   66    HA   LYS   8           HA       LYS   8  -5.260  -7.276  -5.470
   67   1HB   LYS   8          2HB       LYS   8  -5.797  -7.376  -7.965
   68   2HB   LYS   8          1HB       LYS   8  -4.144  -7.929  -8.192
   69   1HG   LYS   8          2HG       LYS   8  -4.925  -9.647  -6.290
   70   2HG   LYS   8          1HG       LYS   8  -6.478  -9.336  -7.069
   71   1HD   LYS   8          2HD       LYS   8  -5.196  -9.768  -9.272
   72   2HD   LYS   8          1HD       LYS   8  -3.983 -10.519  -8.235
   73   1HE   LYS   8          2HE       LYS   8  -5.531 -12.189  -9.084
   74   2HE   LYS   8          1HE       LYS   8  -5.697 -12.025  -7.336
   75   1HZ   LYS   8          1HZ       LYS   8  -7.452 -10.491  -9.136
   76   2HZ   LYS   8          2HZ       LYS   8  -7.727 -10.981  -7.541
   77   3HZ   LYS   8          3HZ       LYS   8  -7.799 -12.112  -8.797
   78    H    VAL   9           H        VAL   9  -2.281  -6.665  -7.312
   79    HA   VAL   9           HA       VAL   9  -0.826  -8.554  -5.635
   80    HB   VAL   9           HB       VAL   9  -0.413  -8.573  -8.060
   81   1HG1  VAL   9          1HG1      VAL   9  -0.564  -5.864  -7.935
   82   2HG1  VAL   9          2HG1      VAL   9   0.110  -6.769  -9.290
   83   3HG1  VAL   9          3HG1      VAL   9   1.178  -6.108  -8.053
   84   1HG2  VAL   9          1HG2      VAL   9   2.169  -7.575  -7.038
   85   2HG2  VAL   9          2HG2      VAL   9   1.767  -9.111  -7.806
   86   3HG2  VAL   9          3HG2      VAL   9   1.406  -8.858  -6.099
   87    H    CYS  10           H        CYS  10  -1.688  -6.550  -4.070
   88    HA   CYS  10           HA       CYS  10   0.785  -5.353  -3.192
   89   1HB   CYS  10          2HB       CYS  10  -0.483  -3.809  -4.937
   90   2HB   CYS  10          1HB       CYS  10  -1.447  -3.398  -3.523
   91    H    ALA  11           H        ALA  11  -2.697  -4.742  -2.706
   92    HA   ALA  11           HA       ALA  11  -2.395  -4.642   0.139
   93   1HB   ALA  11          1HB       ALA  11  -4.457  -3.755   0.145
   94   2HB   ALA  11          2HB       ALA  11  -5.110  -5.007  -0.911
   95   3HB   ALA  11          3HB       ALA  11  -4.230  -3.642  -1.600
   96    H    ALA  12           H        ALA  12  -3.268  -7.085  -2.188
   97    HA   ALA  12           HA       ALA  12  -4.291  -8.905  -0.182
   98   1HB   ALA  12          1HB       ALA  12  -4.891 -10.316  -1.933
   99   2HB   ALA  12          2HB       ALA  12  -3.656  -9.664  -3.009
  100   3HB   ALA  12          3HB       ALA  12  -5.081  -8.702  -2.620
  101    H    ALA  13           H        ALA  13  -1.276  -7.921  -0.719
  102    HA   ALA  13           HA       ALA  13  -0.013 -10.551  -0.725
  103   1HB   ALA  13          1HB       ALA  13   0.728  -8.282  -1.959
  104   2HB   ALA  13          2HB       ALA  13   1.858  -9.556  -1.498
  105   3HB   ALA  13          3HB       ALA  13   1.660  -8.138  -0.469
  106    H    ALA  14           H        ALA  14  -1.362  -8.628   1.559
  107    HA   ALA  14           HA       ALA  14  -1.194  -8.453   3.820
  108   1HB   ALA  14          1HB       ALA  14   0.260 -10.411   4.848
  109   2HB   ALA  14          2HB       ALA  14   0.089 -11.064   3.219
  110   3HB   ALA  14          3HB       ALA  14  -1.345 -10.699   4.179
  111    H    ASN  15           H        ASN  15   0.754  -7.067   2.144
  112    HA   ASN  15           HA       ASN  15   3.019  -6.915   4.023
  113   1HB   ASN  15          2HB       ASN  15   3.188  -7.434   1.368
  114   2HB   ASN  15          1HB       ASN  15   3.309  -5.678   1.352
  115   1HD2  ASN  15          1HD2      ASN  15   5.075  -8.387   1.375
  116   2HD2  ASN  15          2HD2      ASN  15   6.507  -7.820   2.157
  117    H    VAL  16           H        VAL  16   3.614  -4.955   4.858
  118    HA   VAL  16           HA       VAL  16   1.725  -2.750   4.401
  119    HB   VAL  16           HB       VAL  16   3.636  -3.063   6.717
  120   1HG1  VAL  16          1HG1      VAL  16   1.760  -1.506   7.695
  121   2HG1  VAL  16          2HG1      VAL  16   1.489  -1.128   5.994
  122   3HG1  VAL  16          3HG1      VAL  16   3.070  -0.840   6.720
  123   1HG2  VAL  16          1HG2      VAL  16   0.696  -3.732   6.650
  124   2HG2  VAL  16          2HG2      VAL  16   1.788  -3.887   8.026
  125   3HG2  VAL  16          3HG2      VAL  16   1.999  -4.920   6.612
  126    H    ALA  17           H        ALA  17   5.149  -3.045   5.367
  127    HA   ALA  17           HA       ALA  17   5.911  -0.506   4.471
  128   1HB   ALA  17          1HB       ALA  17   7.137  -2.266   5.980
  129   2HB   ALA  17          2HB       ALA  17   8.056  -1.090   5.042
  130   3HB   ALA  17          3HB       ALA  17   7.880  -2.743   4.453
  131    H    ALA  18           H        ALA  18   6.000  -3.652   2.849
  132    HA   ALA  18           HA       ALA  18   7.368  -2.875   0.536
  133   1HB   ALA  18          1HB       ALA  18   5.188  -4.943   0.557
  134   2HB   ALA  18          2HB       ALA  18   6.759  -5.224   1.306
  135   3HB   ALA  18          3HB       ALA  18   6.653  -4.897  -0.423
  136    H    HIS  19           H        HIS  19   4.036  -2.457   1.486
  137    HA   HIS  19           HA       HIS  19   3.082  -1.766  -1.124
  138   1HB   HIS  19          2HB       HIS  19   1.335  -2.509   0.181
  139   2HB   HIS  19          1HB       HIS  19   1.964  -1.758   1.643
  140    HD2  HIS  19           2HD      HIS  19   0.792   0.573   2.322
  141    HE1  HIS  19           1HE      HIS  19  -1.176   1.254  -1.353
  142    HE2  HIS  19           2HE      HIS  19  -1.023   1.948   1.086
  143    H    MET  20           H        MET  20   3.414   0.209   1.833
  144    HA   MET  20           HA       MET  20   2.987   2.692   0.799
  145   1HB   MET  20          2HB       MET  20   3.481   2.034   3.211
  146   2HB   MET  20          1HB       MET  20   5.184   2.167   2.795
  147   1HG   MET  20          2HG       MET  20   4.315   4.541   1.901
  148   2HG   MET  20          1HG       MET  20   3.161   4.266   3.204
  149   1HE   MET  20          1HE       MET  20   3.926   5.241   5.786
  150   2HE   MET  20          2HE       MET  20   3.709   6.217   4.333
  151   3HE   MET  20          3HE       MET  20   5.104   6.488   5.378
  152    H    THR  21           H        THR  21   6.085   0.948   0.784
  153    HA   THR  21           HA       THR  21   7.673   2.965  -0.302
  154    HB   THR  21           HB       THR  21   8.565   0.866   0.628
  155    HG1  THR  21           1HG      THR  21  10.153   0.554  -0.992
  156   1HG2  THR  21          1HG2      THR  21   7.124  -0.334  -1.658
  157   2HG2  THR  21          2HG2      THR  21   7.411  -0.962  -0.036
  158   3HG2  THR  21          3HG2      THR  21   8.701  -1.004  -1.238
  159    H    HIS  22           H        HIS  22   5.295   0.944  -1.796
  160    HA   HIS  22           HA       HIS  22   6.021   2.013  -4.422
  161   1HB   HIS  22          2HB       HIS  22   6.038  -0.124  -5.103
  162   2HB   HIS  22          1HB       HIS  22   5.439  -0.669  -3.544
  163    HD1  HIS  22           1HD      HIS  22   4.624  -0.919  -6.938
  164    HD2  HIS  22           2HD      HIS  22   2.369  -0.125  -3.526
  165    HE1  HIS  22           1HE      HIS  22   2.248  -1.454  -7.559
  166    HE2  HIS  22           2HE      HIS  22   0.898  -0.905  -5.506
  167    H    CYS  23           H        CYS  23   3.981   2.601  -2.008
  168    HA   CYS  23           HA       CYS  23   1.906   3.612  -3.794
  169   1HB   CYS  23          2HB       CYS  23   1.652   1.533  -1.714
  170   2HB   CYS  23          1HB       CYS  23   0.416   2.776  -1.685
  171    H    ALA  24           H        ALA  24   2.892   5.664  -3.328
  172    HA   ALA  24           HA       ALA  24   3.315   6.703  -0.763
  173   1HB   ALA  24          1HB       ALA  24   2.976   7.874  -3.474
  174   2HB   ALA  24          2HB       ALA  24   4.335   7.985  -2.354
  175   3HB   ALA  24          3HB       ALA  24   2.885   8.951  -2.080
  176    H    LYS  25           H        LYS  25   2.100   8.428   0.313
  177    HA   LYS  25           HA       LYS  25  -0.775   7.866   0.217
  178   1HB   LYS  25          2HB       LYS  25   0.457   7.592   2.374
  179   2HB   LYS  25          1HB       LYS  25   0.793   9.318   2.354
  180   1HG   LYS  25          2HG       LYS  25  -2.039   8.549   2.073
  181   2HG   LYS  25          1HG       LYS  25  -1.289   8.222   3.637
  182   1HD   LYS  25          2HD       LYS  25  -0.431  10.657   3.468
  183   2HD   LYS  25          1HD       LYS  25  -1.686  10.844   2.241
  184   1HE   LYS  25          2HE       LYS  25  -2.394   9.625   4.868
  185   2HE   LYS  25          1HE       LYS  25  -2.175  11.371   4.768
  186   1HZ   LYS  25          1HZ       LYS  25  -4.042  11.625   3.560
  187   2HZ   LYS  25          2HZ       LYS  25  -4.483  10.161   4.282
  188   3HZ   LYS  25          3HZ       LYS  25  -3.847  10.172   2.715
  Start of MODEL    3
    1   1H    ARG   1          1HT       ARG   1  -0.801   0.577   7.352
    2   2H    ARG   1          2HT       ARG   1  -0.345  -1.006   7.834
    3   3H    ARG   1          3HT       ARG   1  -1.216   0.005   8.913
    4    HA   ARG   1           HA       ARG   1  -2.475  -1.794   7.753
    5   1HB   ARG   1          2HB       ARG   1  -3.198   0.527   8.835
    6   2HB   ARG   1          1HB       ARG   1  -3.657   0.884   7.175
    7   1HG   ARG   1          2HG       ARG   1  -5.610  -0.028   7.785
    8   2HG   ARG   1          1HG       ARG   1  -4.776  -1.553   7.477
    9   1HD   ARG   1          2HD       ARG   1  -4.382  -0.419  10.163
   10   2HD   ARG   1          1HD       ARG   1  -6.028  -0.934   9.797
   11    HE   ARG   1           HE       ARG   1  -4.042  -2.890   9.112
   12   1HH1  ARG   1          1HH1      ARG   1  -6.043  -1.638  11.683
   13   2HH1  ARG   1          2HH1      ARG   1  -6.023  -3.113  12.587
   14   1HH2  ARG   1          1HH2      ARG   1  -4.015  -4.833  10.300
   15   2HH2  ARG   1          2HH2      ARG   1  -4.871  -4.928  11.802
   16    H    VAL   2           H        VAL   2  -2.139  -2.806   5.865
   17    HA   VAL   2           HA       VAL   2  -1.794  -1.268   3.415
   18    HB   VAL   2           HB       VAL   2  -0.296  -3.170   3.822
   19   1HG1  VAL   2          1HG1      VAL   2  -1.211  -4.917   4.881
   20   2HG1  VAL   2          2HG1      VAL   2  -1.703  -5.443   3.271
   21   3HG1  VAL   2          3HG1      VAL   2  -2.832  -4.549   4.291
   22   1HG2  VAL   2          1HG2      VAL   2  -1.960  -2.837   1.461
   23   2HG2  VAL   2          2HG2      VAL   2  -1.287  -4.462   1.596
   24   3HG2  VAL   2          3HG2      VAL   2  -0.216  -3.060   1.594
   25    H    ILE   3           H        ILE   3  -4.269  -0.796   4.284
   26    HA   ILE   3           HA       ILE   3  -6.018  -2.569   2.710
   27    HB   ILE   3           HB       ILE   3  -6.605  -2.425   5.097
   28   1HG1  ILE   3          2HG1      ILE   3  -8.991  -1.815   4.787
   29   2HG1  ILE   3          1HG1      ILE   3  -8.584  -1.094   3.233
   30   1HG2  ILE   3          1HG2      ILE   3  -5.868   0.185   4.940
   31   2HG2  ILE   3          2HG2      ILE   3  -6.810  -0.517   6.256
   32   3HG2  ILE   3          3HG2      ILE   3  -7.627   0.317   4.933
   33   1HD1  ILE   3          1HD1      ILE   3  -9.222  -3.792   3.841
   34   2HD1  ILE   3          2HD1      ILE   3  -7.570  -3.726   3.225
   35   3HD1  ILE   3          3HD1      ILE   3  -8.895  -3.056   2.273
   36    H    ALA   4           H        ALA   4  -4.917   0.704   3.156
   37    HA   ALA   4           HA       ALA   4  -6.870   2.119   1.763
   38   1HB   ALA   4          1HB       ALA   4  -4.024   2.568   2.439
   39   2HB   ALA   4          2HB       ALA   4  -5.441   3.567   2.763
   40   3HB   ALA   4          3HB       ALA   4  -4.710   3.567   1.158
   41    H    CYS   5           H        CYS   5  -4.255   0.117   0.598
   42    HA   CYS   5           HA       CYS   5  -4.130   1.010  -2.054
   43   1HB   CYS   5          2HB       CYS   5  -2.626  -0.682  -0.755
   44   2HB   CYS   5          1HB       CYS   5  -3.767  -1.885  -1.348
   45    H    PHE   6           H        PHE   6  -4.971   0.020  -3.988
   46    HA   PHE   6           HA       PHE   6  -7.549  -1.346  -3.581
   47   1HB   PHE   6          2HB       PHE   6  -8.468  -0.095  -5.473
   48   2HB   PHE   6          1HB       PHE   6  -7.914   1.002  -4.213
   49    HD1  PHE   6           1HD      PHE   6  -7.823   0.265  -7.655
   50    HD2  PHE   6           2HD      PHE   6  -5.497   1.926  -4.502
   51    HE1  PHE   6           1HE      PHE   6  -6.439   1.453  -9.306
   52    HE2  PHE   6           2HE      PHE   6  -4.109   3.117  -6.147
   53    HZ   PHE   6           HZ       PHE   6  -4.579   2.882  -8.553
   54    H    LEU   7           H        LEU   7  -4.911  -2.467  -4.137
   55    HA   LEU   7           HA       LEU   7  -5.370  -3.559  -6.833
   56   1HB   LEU   7          2HB       LEU   7  -2.904  -2.946  -5.285
   57   2HB   LEU   7          1HB       LEU   7  -2.866  -4.328  -6.363
   58    HG   LEU   7           HG       LEU   7  -3.624  -1.544  -7.242
   59   1HD1  LEU   7          1HD1      LEU   7  -1.331  -1.513  -6.488
   60   2HD1  LEU   7          2HD1      LEU   7  -1.375  -1.465  -8.251
   61   3HD1  LEU   7          3HD1      LEU   7  -0.973  -2.967  -7.420
   62   1HD2  LEU   7          1HD2      LEU   7  -2.821  -2.750  -9.460
   63   2HD2  LEU   7          2HD2      LEU   7  -4.483  -2.871  -8.883
   64   3HD2  LEU   7          3HD2      LEU   7  -3.345  -4.182  -8.574
   65    H    LYS   8           H        LYS   8  -4.621  -5.850  -7.105
   66    HA   LYS   8           HA       LYS   8  -5.654  -7.436  -4.880
   67   1HB   LYS   8          2HB       LYS   8  -6.253  -7.593  -7.482
   68   2HB   LYS   8          1HB       LYS   8  -4.890  -8.705  -7.459
   69   1HG   LYS   8          2HG       LYS   8  -5.965 -10.144  -5.927
   70   2HG   LYS   8          1HG       LYS   8  -7.215  -8.949  -5.574
   71   1HD   LYS   8          2HD       LYS   8  -6.794 -10.318  -8.230
   72   2HD   LYS   8          1HD       LYS   8  -8.039 -10.732  -7.050
   73   1HE   LYS   8          2HE       LYS   8  -8.807  -8.316  -7.249
   74   2HE   LYS   8          1HE       LYS   8  -7.761  -8.211  -8.665
   75   1HZ   LYS   8          1HZ       LYS   8  -9.134  -9.496  -9.887
   76   2HZ   LYS   8          2HZ       LYS   8 -10.300  -8.927  -8.802
   77   3HZ   LYS   8          3HZ       LYS   8  -9.612 -10.456  -8.578
   78    H    VAL   9           H        VAL   9  -2.729  -6.871  -6.697
   79    HA   VAL   9           HA       VAL   9  -1.354  -9.078  -5.370
   80    HB   VAL   9           HB       VAL   9  -0.934  -8.732  -7.765
   81   1HG1  VAL   9          1HG1      VAL   9   0.025  -6.035  -6.848
   82   2HG1  VAL   9          2HG1      VAL   9  -1.187  -6.412  -8.074
   83   3HG1  VAL   9          3HG1      VAL   9   0.517  -6.743  -8.387
   84   1HG2  VAL   9          1HG2      VAL   9   1.678  -7.976  -6.623
   85   2HG2  VAL   9          2HG2      VAL   9   1.227  -9.370  -7.607
   86   3HG2  VAL   9          3HG2      VAL   9   0.882  -9.362  -5.877
   87    H    CYS  10           H        CYS  10  -1.584  -5.599  -5.292
   88    HA   CYS  10           HA       CYS  10   0.718  -5.332  -3.541
   89   1HB   CYS  10          2HB       CYS  10   0.001  -3.655  -5.364
   90   2HB   CYS  10          1HB       CYS  10  -1.230  -3.140  -4.217
   91    H    ALA  11           H        ALA  11  -2.747  -4.498  -3.351
   92    HA   ALA  11           HA       ALA  11  -2.781  -3.903  -0.618
   93   1HB   ALA  11          1HB       ALA  11  -5.056  -3.709  -0.820
   94   2HB   ALA  11          2HB       ALA  11  -5.189  -5.096  -1.901
   95   3HB   ALA  11          3HB       ALA  11  -4.570  -3.561  -2.509
   96    H    ALA  12           H        ALA  12  -3.746  -6.915  -2.265
   97    HA   ALA  12           HA       ALA  12  -3.935  -8.313   0.265
   98   1HB   ALA  12          1HB       ALA  12  -5.577  -9.143  -1.056
   99   2HB   ALA  12          2HB       ALA  12  -4.299 -10.271  -1.508
  100   3HB   ALA  12          3HB       ALA  12  -4.664  -8.890  -2.543
  101    H    ALA  13           H        ALA  13  -1.303  -7.336  -0.400
  102    HA   ALA  13           HA       ALA  13   0.186  -9.737  -1.129
  103   1HB   ALA  13          1HB       ALA  13   1.675  -7.300  -0.425
  104   2HB   ALA  13          2HB       ALA  13   0.593  -7.158  -1.811
  105   3HB   ALA  13          3HB       ALA  13   1.857  -8.389  -1.802
  106    H    ALA  14           H        ALA  14  -1.094  -8.526   1.641
  107    HA   ALA  14           HA       ALA  14  -0.718  -8.843   3.861
  108   1HB   ALA  14          1HB       ALA  14   0.817 -11.107   2.641
  109   2HB   ALA  14          2HB       ALA  14  -0.703 -11.143   3.536
  110   3HB   ALA  14          3HB       ALA  14   0.815 -10.854   4.386
  111    H    ASN  15           H        ASN  15   0.965  -6.954   2.411
  112    HA   ASN  15           HA       ASN  15   3.151  -6.804   4.359
  113   1HB   ASN  15          2HB       ASN  15   3.693  -7.617   1.839
  114   2HB   ASN  15          1HB       ASN  15   3.806  -5.873   1.624
  115   1HD2  ASN  15          1HD2      ASN  15   5.857  -7.985   1.554
  116   2HD2  ASN  15          2HD2      ASN  15   7.053  -7.505   2.705
  117    H    VAL  16           H        VAL  16   3.253  -4.877   5.308
  118    HA   VAL  16           HA       VAL  16   1.594  -2.715   4.281
  119    HB   VAL  16           HB       VAL  16   3.177  -2.769   6.850
  120   1HG1  VAL  16          1HG1      VAL  16   0.802  -1.109   6.012
  121   2HG1  VAL  16          2HG1      VAL  16   2.473  -0.550   6.073
  122   3HG1  VAL  16          3HG1      VAL  16   1.646  -1.021   7.558
  123   1HG2  VAL  16          1HG2      VAL  16   0.612  -4.032   6.118
  124   2HG2  VAL  16          2HG2      VAL  16   0.637  -3.153   7.647
  125   3HG2  VAL  16          3HG2      VAL  16   1.778  -4.468   7.368
  126    H    ALA  17           H        ALA  17   4.959  -3.177   5.357
  127    HA   ALA  17           HA       ALA  17   5.855  -0.613   4.597
  128   1HB   ALA  17          1HB       ALA  17   7.096  -1.956   6.181
  129   2HB   ALA  17          2HB       ALA  17   8.119  -1.572   4.797
  130   3HB   ALA  17          3HB       ALA  17   7.404  -3.177   4.947
  131    H    ALA  18           H        ALA  18   5.960  -3.746   2.929
  132    HA   ALA  18           HA       ALA  18   7.389  -2.941   0.669
  133   1HB   ALA  18          1HB       ALA  18   6.764  -4.958  -0.302
  134   2HB   ALA  18          2HB       ALA  18   5.197  -4.976   0.506
  135   3HB   ALA  18          3HB       ALA  18   6.667  -5.301   1.426
  136    H    HIS  19           H        HIS  19   3.998  -2.608   1.484
  137    HA   HIS  19           HA       HIS  19   3.176  -1.798  -1.136
  138   1HB   HIS  19          2HB       HIS  19   1.368  -2.639   0.011
  139   2HB   HIS  19          1HB       HIS  19   1.906  -1.987   1.553
  140    HD2  HIS  19           2HD      HIS  19   0.680   0.291   2.327
  141    HE1  HIS  19           1HE      HIS  19  -1.149   1.170  -1.377
  142    HE2  HIS  19           2HE      HIS  19  -1.109   1.712   1.104
  143    H    MET  20           H        MET  20   3.342   0.007   1.942
  144    HA   MET  20           HA       MET  20   2.893   2.539   1.035
  145   1HB   MET  20          2HB       MET  20   4.517   1.434   3.275
  146   2HB   MET  20          1HB       MET  20   4.680   3.146   2.907
  147   1HG   MET  20          2HG       MET  20   1.922   2.151   3.097
  148   2HG   MET  20          1HG       MET  20   2.851   2.122   4.594
  149   1HE   MET  20          1HE       MET  20   0.912   3.508   5.427
  150   2HE   MET  20          2HE       MET  20   0.102   4.195   4.019
  151   3HE   MET  20          3HE       MET  20   0.787   5.259   5.248
  152    H    THR  21           H        THR  21   6.030   0.863   1.053
  153    HA   THR  21           HA       THR  21   7.614   2.970   0.152
  154    HB   THR  21           HB       THR  21   8.506   0.831   0.997
  155    HG1  THR  21           1HG      THR  21   9.767   2.220  -0.396
  156   1HG2  THR  21          1HG2      THR  21   7.132  -0.252  -1.361
  157   2HG2  THR  21          2HG2      THR  21   7.531  -1.013   0.178
  158   3HG2  THR  21          3HG2      THR  21   8.763  -0.860  -1.075
  159    H    HIS  22           H        HIS  22   5.338   1.002  -1.555
  160    HA   HIS  22           HA       HIS  22   6.153   2.235  -4.081
  161   1HB   HIS  22          2HB       HIS  22   6.240   0.140  -4.880
  162   2HB   HIS  22          1HB       HIS  22   5.581  -0.504  -3.386
  163    HD1  HIS  22           1HD      HIS  22   4.924  -0.552  -6.826
  164    HD2  HIS  22           2HD      HIS  22   2.506  -0.017  -3.476
  165    HE1  HIS  22           1HE      HIS  22   2.589  -1.087  -7.587
  166    HE2  HIS  22           2HE      HIS  22   1.139  -0.693  -5.566
  167    H    CYS  23           H        CYS  23   4.002   2.640  -1.724
  168    HA   CYS  23           HA       CYS  23   1.987   3.726  -3.534
  169   1HB   CYS  23          2HB       CYS  23   1.682   1.519  -1.598
  170   2HB   CYS  23          1HB       CYS  23   0.424   2.737  -1.548
  171    H    ALA  24           H        ALA  24   2.984   5.743  -2.876
  172    HA   ALA  24           HA       ALA  24   3.058   6.562  -0.151
  173   1HB   ALA  24          1HB       ALA  24   4.216   7.489  -2.397
  174   2HB   ALA  24          2HB       ALA  24   4.061   8.433  -0.915
  175   3HB   ALA  24          3HB       ALA  24   2.900   8.651  -2.225
  176    H    LYS  25           H        LYS  25   1.822   8.385   0.737
  177    HA   LYS  25           HA       LYS  25  -1.004   8.138   0.010
  178   1HB   LYS  25          2HB       LYS  25  -0.205   7.743   2.380
  179   2HB   LYS  25          1HB       LYS  25   0.149   9.463   2.464
  180   1HG   LYS  25          2HG       LYS  25  -2.576   8.638   1.622
  181   2HG   LYS  25          1HG       LYS  25  -2.135   8.468   3.322
  182   1HD   LYS  25          2HD       LYS  25  -1.223  10.961   2.834
  183   2HD   LYS  25          1HD       LYS  25  -2.581  10.896   1.708
  184   1HE   LYS  25          2HE       LYS  25  -3.719   9.839   3.919
  185   2HE   LYS  25          1HE       LYS  25  -2.556  10.941   4.654
  186   1HZ   LYS  25          1HZ       LYS  25  -4.637  11.661   2.661
  187   2HZ   LYS  25          2HZ       LYS  25  -3.486  12.731   3.288
  188   3HZ   LYS  25          3HZ       LYS  25  -4.650  12.049   4.308
  Start of MODEL    4
    1   1H    ARG   1          1HT       ARG   1  -0.344  -0.249   7.466
    2   2H    ARG   1          2HT       ARG   1  -1.183  -0.076   8.954
    3   3H    ARG   1          3HT       ARG   1  -1.441   1.050   7.684
    4    HA   ARG   1           HA       ARG   1  -2.177  -1.797   7.738
    5   1HB   ARG   1          2HB       ARG   1  -3.499   0.054   8.980
    6   2HB   ARG   1          1HB       ARG   1  -3.962   0.597   7.374
    7   1HG   ARG   1          2HG       ARG   1  -5.700  -0.784   7.687
    8   2HG   ARG   1          1HG       ARG   1  -4.552  -2.026   7.180
    9   1HD   ARG   1          2HD       ARG   1  -3.978  -1.950   9.792
   10   2HD   ARG   1          1HD       ARG   1  -5.662  -1.435   9.862
   11    HE   ARG   1           HE       ARG   1  -5.237  -3.785   8.262
   12   1HH1  ARG   1          1HH1      ARG   1  -5.807  -2.586  11.489
   13   2HH1  ARG   1          2HH1      ARG   1  -6.486  -4.074  12.057
   14   1HH2  ARG   1          1HH2      ARG   1  -6.131  -5.743   9.007
   15   2HH2  ARG   1          2HH2      ARG   1  -6.670  -5.867  10.648
   16    H    VAL   2           H        VAL   2  -2.075  -2.748   5.819
   17    HA   VAL   2           HA       VAL   2  -1.861  -1.130   3.406
   18    HB   VAL   2           HB       VAL   2  -0.274  -2.975   3.722
   19   1HG1  VAL   2          1HG1      VAL   2  -2.736  -4.476   4.212
   20   2HG1  VAL   2          2HG1      VAL   2  -1.086  -4.789   4.752
   21   3HG1  VAL   2          3HG1      VAL   2  -1.597  -5.291   3.140
   22   1HG2  VAL   2          1HG2      VAL   2  -2.010  -2.649   1.411
   23   2HG2  VAL   2          2HG2      VAL   2  -1.266  -4.247   1.484
   24   3HG2  VAL   2          3HG2      VAL   2  -0.255  -2.802   1.496
   25    H    ILE   3           H        ILE   3  -4.331  -0.784   4.338
   26    HA   ILE   3           HA       ILE   3  -6.046  -2.599   2.777
   27    HB   ILE   3           HB       ILE   3  -6.595  -2.506   5.169
   28   1HG1  ILE   3          2HG1      ILE   3  -8.987  -2.028   4.932
   29   2HG1  ILE   3          1HG1      ILE   3  -8.675  -1.143   3.442
   30   1HG2  ILE   3          1HG2      ILE   3  -7.001   0.432   4.647
   31   2HG2  ILE   3          2HG2      ILE   3  -5.842  -0.311   5.748
   32   3HG2  ILE   3          3HG2      ILE   3  -7.569  -0.406   6.091
   33   1HD1  ILE   3          1HD1      ILE   3  -9.363  -3.789   3.643
   34   2HD1  ILE   3          2HD1      ILE   3  -7.620  -3.847   3.384
   35   3HD1  ILE   3          3HD1      ILE   3  -8.654  -3.005   2.231
   36    H    ALA   4           H        ALA   4  -5.080   0.716   3.258
   37    HA   ALA   4           HA       ALA   4  -7.110   2.046   1.882
   38   1HB   ALA   4          1HB       ALA   4  -4.308   2.644   2.608
   39   2HB   ALA   4          2HB       ALA   4  -5.782   3.567   2.905
   40   3HB   ALA   4          3HB       ALA   4  -5.015   3.616   1.317
   41    H    CYS   5           H        CYS   5  -4.362   0.234   0.706
   42    HA   CYS   5           HA       CYS   5  -4.287   1.175  -1.932
   43   1HB   CYS   5          2HB       CYS   5  -2.648  -0.392  -0.682
   44   2HB   CYS   5          1HB       CYS   5  -3.710  -1.688  -1.217
   45    H    PHE   6           H        PHE   6  -4.941  -0.039  -3.885
   46    HA   PHE   6           HA       PHE   6  -7.460  -1.513  -3.508
   47   1HB   PHE   6          2HB       PHE   6  -8.344  -0.355  -5.537
   48   2HB   PHE   6          1HB       PHE   6  -8.090   0.719  -4.167
   49    HD1  PHE   6           1HD      PHE   6  -5.770   1.931  -4.115
   50    HD2  PHE   6           2HD      PHE   6  -7.541   0.257  -7.603
   51    HE1  PHE   6           1HE      PHE   6  -4.379   3.396  -5.520
   52    HE2  PHE   6           2HE      PHE   6  -6.152   1.717  -9.014
   53    HZ   PHE   6           HZ       PHE   6  -4.568   3.289  -7.974
   54    H    LEU   7           H        LEU   7  -4.805  -2.531  -3.961
   55    HA   LEU   7           HA       LEU   7  -5.222  -3.784  -6.594
   56   1HB   LEU   7          2HB       LEU   7  -2.716  -2.727  -5.341
   57   2HB   LEU   7          1HB       LEU   7  -2.626  -4.064  -6.472
   58    HG   LEU   7           HG       LEU   7  -4.075  -1.573  -7.268
   59   1HD1  LEU   7          1HD1      LEU   7  -1.186  -1.796  -7.897
   60   2HD1  LEU   7          2HD1      LEU   7  -1.638  -1.222  -6.293
   61   3HD1  LEU   7          3HD1      LEU   7  -2.203  -0.365  -7.729
   62   1HD2  LEU   7          1HD2      LEU   7  -3.702  -2.302  -9.431
   63   2HD2  LEU   7          2HD2      LEU   7  -3.948  -3.816  -8.561
   64   3HD2  LEU   7          3HD2      LEU   7  -2.315  -3.288  -8.970
   65    H    LYS   8           H        LYS   8  -4.687  -5.979  -6.775
   66    HA   LYS   8           HA       LYS   8  -5.078  -7.498  -4.389
   67   1HB   LYS   8          2HB       LYS   8  -4.630  -8.171  -7.276
   68   2HB   LYS   8          1HB       LYS   8  -4.543  -9.436  -6.057
   69   1HG   LYS   8          2HG       LYS   8  -6.771  -9.404  -5.660
   70   2HG   LYS   8          1HG       LYS   8  -6.916  -7.675  -5.984
   71   1HD   LYS   8          2HD       LYS   8  -6.250  -9.514  -8.234
   72   2HD   LYS   8          1HD       LYS   8  -7.913  -9.451  -7.647
   73   1HE   LYS   8          2HE       LYS   8  -7.686  -6.906  -7.881
   74   2HE   LYS   8          1HE       LYS   8  -6.259  -7.257  -8.854
   75   1HZ   LYS   8          1HZ       LYS   8  -7.497  -8.093 -10.539
   76   2HZ   LYS   8          2HZ       LYS   8  -8.651  -7.029  -9.909
   77   3HZ   LYS   8          3HZ       LYS   8  -8.720  -8.676  -9.527
   78    H    VAL   9           H        VAL   9  -2.412  -7.502  -6.762
   79    HA   VAL   9           HA       VAL   9  -0.642  -9.036  -5.238
   80    HB   VAL   9           HB       VAL   9  -0.314  -8.625  -7.630
   81   1HG1  VAL   9          1HG1      VAL   9  -0.235  -5.831  -6.729
   82   2HG1  VAL   9          2HG1      VAL   9  -0.714  -6.512  -8.283
   83   3HG1  VAL   9          3HG1      VAL   9   0.993  -6.265  -7.918
   84   1HG2  VAL   9          1HG2      VAL   9   2.014  -7.634  -5.986
   85   2HG2  VAL   9          2HG2      VAL   9   2.096  -8.342  -7.599
   86   3HG2  VAL   9          3HG2      VAL   9   1.583  -9.327  -6.228
   87    H    CYS  10           H        CYS  10  -1.511  -5.695  -4.992
   88    HA   CYS  10           HA       CYS  10   0.790  -5.092  -3.298
   89   1HB   CYS  10          2HB       CYS  10  -0.346  -3.549  -5.139
   90   2HB   CYS  10          1HB       CYS  10  -1.379  -3.104  -3.784
   91    H    ALA  11           H        ALA  11  -2.704  -4.410  -3.053
   92    HA   ALA  11           HA       ALA  11  -2.641  -4.201  -0.225
   93   1HB   ALA  11          1HB       ALA  11  -5.217  -4.817  -1.533
   94   2HB   ALA  11          2HB       ALA  11  -4.376  -3.370  -2.090
   95   3HB   ALA  11          3HB       ALA  11  -4.799  -3.543  -0.386
   96    H    ALA  12           H        ALA  12  -3.722  -6.762  -2.431
   97    HA   ALA  12           HA       ALA  12  -4.355  -8.531  -0.226
   98   1HB   ALA  12          1HB       ALA  12  -4.275  -9.528  -3.019
   99   2HB   ALA  12          2HB       ALA  12  -5.482  -8.309  -2.611
  100   3HB   ALA  12          3HB       ALA  12  -5.444  -9.839  -1.735
  101    H    ALA  13           H        ALA  13  -1.592  -7.713  -0.383
  102    HA   ALA  13           HA       ALA  13  -0.308 -10.279  -1.046
  103   1HB   ALA  13          1HB       ALA  13   0.480  -7.510  -1.547
  104   2HB   ALA  13          2HB       ALA  13   0.973  -8.996  -2.356
  105   3HB   ALA  13          3HB       ALA  13   1.760  -8.506  -0.856
  106    H    ALA  14           H        ALA  14  -1.428  -8.592   1.525
  107    HA   ALA  14           HA       ALA  14  -1.050  -8.641   3.767
  108   1HB   ALA  14          1HB       ALA  14   0.869 -10.880   3.614
  109   2HB   ALA  14          2HB       ALA  14  -0.733 -11.171   2.937
  110   3HB   ALA  14          3HB       ALA  14  -0.564 -10.678   4.622
  111    H    ASN  15           H        ASN  15   0.694  -7.041   2.083
  112    HA   ASN  15           HA       ASN  15   3.066  -6.948   3.829
  113   1HB   ASN  15          2HB       ASN  15   3.122  -7.465   1.138
  114   2HB   ASN  15          1HB       ASN  15   3.358  -5.720   1.171
  115   1HD2  ASN  15          1HD2      ASN  15   4.815  -5.332   3.407
  116   2HD2  ASN  15          2HD2      ASN  15   6.345  -6.125   3.275
  117    H    VAL  16           H        VAL  16   3.420  -5.085   4.864
  118    HA   VAL  16           HA       VAL  16   1.638  -2.835   4.284
  119    HB   VAL  16           HB       VAL  16   3.462  -3.171   6.665
  120   1HG1  VAL  16          1HG1      VAL  16   0.969  -1.563   6.712
  121   2HG1  VAL  16          2HG1      VAL  16   2.358  -0.902   5.850
  122   3HG1  VAL  16          3HG1      VAL  16   2.495  -1.313   7.559
  123   1HG2  VAL  16          1HG2      VAL  16   0.751  -4.249   6.105
  124   2HG2  VAL  16          2HG2      VAL  16   1.084  -3.648   7.730
  125   3HG2  VAL  16          3HG2      VAL  16   2.072  -4.940   7.048
  126    H    ALA  17           H        ALA  17   5.036  -3.196   5.322
  127    HA   ALA  17           HA       ALA  17   5.856  -0.645   4.522
  128   1HB   ALA  17          1HB       ALA  17   7.478  -3.170   4.813
  129   2HB   ALA  17          2HB       ALA  17   7.168  -1.964   6.061
  130   3HB   ALA  17          3HB       ALA  17   8.151  -1.548   4.657
  131    H    ALA  18           H        ALA  18   5.921  -3.734   2.791
  132    HA   ALA  18           HA       ALA  18   7.330  -2.903   0.526
  133   1HB   ALA  18          1HB       ALA  18   6.559  -4.868  -0.530
  134   2HB   ALA  18          2HB       ALA  18   5.112  -4.932   0.476
  135   3HB   ALA  18          3HB       ALA  18   6.693  -5.264   1.184
  136    H    HIS  19           H        HIS  19   3.979  -2.487   1.427
  137    HA   HIS  19           HA       HIS  19   3.097  -1.659  -1.167
  138   1HB   HIS  19          2HB       HIS  19   1.310  -2.451   0.054
  139   2HB   HIS  19          1HB       HIS  19   1.908  -1.781   1.567
  140    HD2  HIS  19           2HD      HIS  19   0.733   0.520   2.337
  141    HE1  HIS  19           1HE      HIS  19  -1.132   1.407  -1.348
  142    HE2  HIS  19           2HE      HIS  19  -0.760   2.187   1.035
  143    H    MET  20           H        MET  20   3.374   0.160   1.895
  144    HA   MET  20           HA       MET  20   2.990   2.697   0.978
  145   1HB   MET  20          2HB       MET  20   4.852   1.694   3.124
  146   2HB   MET  20          1HB       MET  20   4.588   3.407   2.834
  147   1HG   MET  20          2HG       MET  20   2.434   3.354   3.610
  148   2HG   MET  20          1HG       MET  20   2.233   1.640   3.250
  149   1HE   MET  20          1HE       MET  20   3.533   4.285   5.902
  150   2HE   MET  20          2HE       MET  20   4.982   3.644   5.126
  151   3HE   MET  20          3HE       MET  20   4.652   3.275   6.818
  152    H    THR  21           H        THR  21   6.070   0.923   0.945
  153    HA   THR  21           HA       THR  21   7.705   2.977   0.009
  154    HB   THR  21           HB       THR  21   8.545   0.815   0.845
  155    HG1  THR  21           1HG      THR  21   9.380   1.349  -1.810
  156   1HG2  THR  21          1HG2      THR  21   7.155  -0.231  -1.542
  157   2HG2  THR  21          2HG2      THR  21   7.418  -0.966   0.040
  158   3HG2  THR  21          3HG2      THR  21   8.725  -0.930  -1.144
  159    H    HIS  22           H        HIS  22   5.340   1.073  -1.650
  160    HA   HIS  22           HA       HIS  22   6.141   2.278  -4.193
  161   1HB   HIS  22          2HB       HIS  22   6.161   0.183  -4.995
  162   2HB   HIS  22          1HB       HIS  22   5.524  -0.444  -3.483
  163    HD1  HIS  22           1HD      HIS  22   4.786  -0.499  -6.903
  164    HD2  HIS  22           2HD      HIS  22   2.456   0.118  -3.503
  165    HE1  HIS  22           1HE      HIS  22   2.422  -0.984  -7.607
  166    HE2  HIS  22           2HE      HIS  22   1.027  -0.540  -5.558
  167    H    CYS  23           H        CYS  23   4.048   2.750  -1.801
  168    HA   CYS  23           HA       CYS  23   2.023   3.871  -3.578
  169   1HB   CYS  23          2HB       CYS  23   1.705   1.686  -1.619
  170   2HB   CYS  23          1HB       CYS  23   0.477   2.933  -1.556
  171    H    ALA  24           H        ALA  24   4.152   5.085  -2.041
  172    HA   ALA  24           HA       ALA  24   3.338   6.112   0.425
  173   1HB   ALA  24          1HB       ALA  24   5.245   7.093  -1.667
  174   2HB   ALA  24          2HB       ALA  24   5.592   6.405  -0.080
  175   3HB   ALA  24          3HB       ALA  24   4.928   8.034  -0.210
  176    H    LYS  25           H        LYS  25   2.978   8.551   0.769
  177    HA   LYS  25           HA       LYS  25   0.993   9.533  -1.175
  178   1HB   LYS  25          2HB       LYS  25  -0.107   8.650   0.849
  179   2HB   LYS  25          1HB       LYS  25   0.841   9.753   1.837
  180   1HG   LYS  25          2HG       LYS  25  -0.274  11.512   0.145
  181   2HG   LYS  25          1HG       LYS  25  -1.524  10.266   0.157
  182   1HD   LYS  25          2HD       LYS  25  -0.350  11.610   2.592
  183   2HD   LYS  25          1HD       LYS  25  -1.923  11.970   1.876
  184   1HE   LYS  25          2HE       LYS  25  -1.232   9.186   2.737
  185   2HE   LYS  25          1HE       LYS  25  -1.799  10.374   3.909
  186   1HZ   LYS  25          1HZ       LYS  25  -3.831  10.612   2.738
  187   2HZ   LYS  25          2HZ       LYS  25  -3.566   8.951   2.917
  188   3HZ   LYS  25          3HZ       LYS  25  -3.275   9.697   1.428
  Start of MODEL    5
    1   1H    ARG   1          1HT       ARG   1  -1.392   0.567   7.940
    2   2H    ARG   1          2HT       ARG   1  -0.356  -0.712   7.452
    3   3H    ARG   1          3HT       ARG   1  -1.052  -0.720   9.020
    4    HA   ARG   1           HA       ARG   1  -2.229  -2.243   7.741
    5   1HB   ARG   1          2HB       ARG   1  -3.486  -0.736   9.255
    6   2HB   ARG   1          1HB       ARG   1  -3.755   0.365   7.911
    7   1HG   ARG   1          2HG       ARG   1  -5.700  -0.740   7.744
    8   2HG   ARG   1          1HG       ARG   1  -4.725  -1.910   6.852
    9   1HD   ARG   1          2HD       ARG   1  -6.037  -3.088   8.479
   10   2HD   ARG   1          1HD       ARG   1  -4.347  -3.133   8.978
   11    HE   ARG   1           HE       ARG   1  -5.556  -0.938  10.208
   12   1HH1  ARG   1          1HH1      ARG   1  -5.733  -4.423  10.278
   13   2HH1  ARG   1          2HH1      ARG   1  -6.239  -4.489  11.932
   14   1HH2  ARG   1          1HH2      ARG   1  -6.222  -1.022  12.385
   15   2HH2  ARG   1          2HH2      ARG   1  -6.518  -2.559  13.129
   16    H    VAL   2           H        VAL   2  -1.855  -2.928   5.720
   17    HA   VAL   2           HA       VAL   2  -1.909  -1.119   3.471
   18    HB   VAL   2           HB       VAL   2  -0.271  -2.950   3.551
   19   1HG1  VAL   2          1HG1      VAL   2  -0.775  -5.140   3.782
   20   2HG1  VAL   2          2HG1      VAL   2  -2.268  -5.007   2.853
   21   3HG1  VAL   2          3HG1      VAL   2  -2.230  -4.497   4.541
   22   1HG2  VAL   2          1HG2      VAL   2  -2.184  -2.590   1.336
   23   2HG2  VAL   2          2HG2      VAL   2  -1.147  -4.013   1.238
   24   3HG2  VAL   2          3HG2      VAL   2  -0.431  -2.407   1.366
   25    H    ILE   3           H        ILE   3  -4.303  -0.751   4.316
   26    HA   ILE   3           HA       ILE   3  -6.080  -2.571   2.831
   27    HB   ILE   3           HB       ILE   3  -6.577  -2.433   5.233
   28   1HG1  ILE   3          2HG1      ILE   3  -8.985  -1.800   5.019
   29   2HG1  ILE   3          1HG1      ILE   3  -8.632  -1.146   3.423
   30   1HG2  ILE   3          1HG2      ILE   3  -7.447  -0.342   6.190
   31   2HG2  ILE   3          2HG2      ILE   3  -7.044   0.496   4.691
   32   3HG2  ILE   3          3HG2      ILE   3  -5.763  -0.197   5.686
   33   1HD1  ILE   3          1HD1      ILE   3  -9.085  -3.150   2.605
   34   2HD1  ILE   3          2HD1      ILE   3  -9.163  -3.854   4.221
   35   3HD1  ILE   3          3HD1      ILE   3  -7.616  -3.736   3.384
   36    H    ALA   4           H        ALA   4  -5.077   0.744   3.268
   37    HA   ALA   4           HA       ALA   4  -7.114   2.060   1.879
   38   1HB   ALA   4          1HB       ALA   4  -5.721   3.490   3.031
   39   2HB   ALA   4          2HB       ALA   4  -5.178   3.729   1.371
   40   3HB   ALA   4          3HB       ALA   4  -4.254   2.693   2.460
   41    H    CYS   5           H        CYS   5  -4.361   0.240   0.738
   42    HA   CYS   5           HA       CYS   5  -4.237   1.173  -1.898
   43   1HB   CYS   5          2HB       CYS   5  -2.629  -0.405  -0.650
   44   2HB   CYS   5          1HB       CYS   5  -3.719  -1.695  -1.143
   45    H    PHE   6           H        PHE   6  -4.930   0.071  -3.865
   46    HA   PHE   6           HA       PHE   6  -7.460  -1.399  -3.531
   47   1HB   PHE   6          2HB       PHE   6  -8.379  -0.193  -5.462
   48   2HB   PHE   6          1HB       PHE   6  -7.952   0.917  -4.165
   49    HD1  PHE   6           1HD      PHE   6  -7.698   0.278  -7.607
   50    HD2  PHE   6           2HD      PHE   6  -5.556   1.960  -4.337
   51    HE1  PHE   6           1HE      PHE   6  -6.323   1.577  -9.181
   52    HE2  PHE   6           2HE      PHE   6  -4.177   3.262  -5.905
   53    HZ   PHE   6           HZ       PHE   6  -4.561   3.072  -8.330
   54    H    LEU   7           H        LEU   7  -4.777  -2.404  -3.999
   55    HA   LEU   7           HA       LEU   7  -5.187  -3.613  -6.655
   56   1HB   LEU   7          2HB       LEU   7  -2.706  -2.613  -5.327
   57   2HB   LEU   7          1HB       LEU   7  -2.589  -3.974  -6.425
   58    HG   LEU   7           HG       LEU   7  -3.834  -1.348  -7.217
   59   1HD1  LEU   7          1HD1      LEU   7  -1.028  -2.216  -7.850
   60   2HD1  LEU   7          2HD1      LEU   7  -1.417  -1.162  -6.491
   61   3HD1  LEU   7          3HD1      LEU   7  -1.781  -0.648  -8.138
   62   1HD2  LEU   7          1HD2      LEU   7  -2.917  -2.419  -9.476
   63   2HD2  LEU   7          2HD2      LEU   7  -4.520  -2.782  -8.837
   64   3HD2  LEU   7          3HD2      LEU   7  -3.187  -3.905  -8.565
   65    H    LYS   8           H        LYS   8  -4.704  -5.816  -6.883
   66    HA   LYS   8           HA       LYS   8  -5.204  -7.384  -4.548
   67   1HB   LYS   8          2HB       LYS   8  -4.415  -8.253  -7.334
   68   2HB   LYS   8          1HB       LYS   8  -5.026  -9.310  -6.068
   69   1HG   LYS   8          2HG       LYS   8  -7.167  -8.613  -6.323
   70   2HG   LYS   8          1HG       LYS   8  -6.696  -6.980  -6.797
   71   1HD   LYS   8          2HD       LYS   8  -5.921  -9.104  -8.680
   72   2HD   LYS   8          1HD       LYS   8  -7.660  -8.854  -8.505
   73   1HE   LYS   8          2HE       LYS   8  -5.935  -6.458  -8.833
   74   2HE   LYS   8          1HE       LYS   8  -6.202  -7.478 -10.246
   75   1HZ   LYS   8          1HZ       LYS   8  -8.563  -6.773  -8.700
   76   2HZ   LYS   8          2HZ       LYS   8  -8.359  -6.890 -10.375
   77   3HZ   LYS   8          3HZ       LYS   8  -7.829  -5.510  -9.554
   78    H    VAL   9           H        VAL   9  -2.496  -7.515  -6.870
   79    HA   VAL   9           HA       VAL   9  -0.814  -9.096  -5.315
   80    HB   VAL   9           HB       VAL   9  -0.427  -8.664  -7.701
   81   1HG1  VAL   9          1HG1      VAL   9   0.220  -5.894  -6.731
   82   2HG1  VAL   9          2HG1      VAL   9  -0.932  -6.381  -7.972
   83   3HG1  VAL   9          3HG1      VAL   9   0.800  -6.514  -8.276
   84   1HG2  VAL   9          1HG2      VAL   9   2.008  -7.695  -6.247
   85   2HG2  VAL   9          2HG2      VAL   9   1.896  -8.798  -7.618
   86   3HG2  VAL   9          3HG2      VAL   9   1.403  -9.334  -6.012
   87    H    CYS  10           H        CYS  10  -1.594  -5.746  -5.010
   88    HA   CYS  10           HA       CYS  10   0.717  -5.227  -3.302
   89   1HB   CYS  10          2HB       CYS  10  -0.371  -3.623  -5.112
   90   2HB   CYS  10          1HB       CYS  10  -1.413  -3.189  -3.762
   91    H    ALA  11           H        ALA  11  -2.760  -4.470  -3.040
   92    HA   ALA  11           HA       ALA  11  -2.718  -4.254  -0.228
   93   1HB   ALA  11          1HB       ALA  11  -4.463  -3.480  -2.084
   94   2HB   ALA  11          2HB       ALA  11  -4.910  -3.692  -0.391
   95   3HB   ALA  11          3HB       ALA  11  -5.266  -4.962  -1.563
   96    H    ALA  12           H        ALA  12  -3.581  -6.922  -2.387
   97    HA   ALA  12           HA       ALA  12  -4.298  -8.637  -0.167
   98   1HB   ALA  12          1HB       ALA  12  -5.253 -10.007  -1.688
   99   2HB   ALA  12          2HB       ALA  12  -3.954  -9.794  -2.862
  100   3HB   ALA  12          3HB       ALA  12  -5.195  -8.553  -2.683
  101    H    ALA  13           H        ALA  13  -1.423  -7.595  -0.809
  102    HA   ALA  13           HA       ALA  13  -0.040 -10.153  -1.045
  103   1HB   ALA  13          1HB       ALA  13   0.618  -7.385  -1.630
  104   2HB   ALA  13          2HB       ALA  13   1.303  -8.873  -2.279
  105   3HB   ALA  13          3HB       ALA  13   1.902  -8.219  -0.755
  106    H    ALA  14           H        ALA  14  -1.363  -8.417   1.411
  107    HA   ALA  14           HA       ALA  14  -1.093  -8.353   3.668
  108   1HB   ALA  14          1HB       ALA  14   0.448 -10.383   4.480
  109   2HB   ALA  14          2HB       ALA  14   0.089 -10.933   2.844
  110   3HB   ALA  14          3HB       ALA  14  -1.227 -10.593   3.968
  111    H    ASN  15           H        ASN  15   0.803  -6.883   1.993
  112    HA   ASN  15           HA       ASN  15   3.093  -6.789   3.846
  113   1HB   ASN  15          2HB       ASN  15   2.956  -6.761   0.908
  114   2HB   ASN  15          1HB       ASN  15   3.987  -5.508   1.593
  115   1HD2  ASN  15          1HD2      ASN  15   5.604  -6.239   3.183
  116   2HD2  ASN  15          2HD2      ASN  15   6.359  -7.772   2.930
  117    H    VAL  16           H        VAL  16   3.234  -5.007   5.026
  118    HA   VAL  16           HA       VAL  16   1.559  -2.718   4.378
  119    HB   VAL  16           HB       VAL  16   3.352  -3.073   6.780
  120   1HG1  VAL  16          1HG1      VAL  16   1.677  -1.468   7.776
  121   2HG1  VAL  16          2HG1      VAL  16   1.076  -1.214   6.137
  122   3HG1  VAL  16          3HG1      VAL  16   2.743  -0.799   6.540
  123   1HG2  VAL  16          1HG2      VAL  16   1.836  -4.922   6.776
  124   2HG2  VAL  16          2HG2      VAL  16   0.474  -3.873   6.383
  125   3HG2  VAL  16          3HG2      VAL  16   1.256  -3.750   7.958
  126    H    ALA  17           H        ALA  17   4.965  -3.171   5.353
  127    HA   ALA  17           HA       ALA  17   5.785  -0.583   4.593
  128   1HB   ALA  17          1HB       ALA  17   7.192  -3.118   5.283
  129   2HB   ALA  17          2HB       ALA  17   7.247  -1.544   6.077
  130   3HB   ALA  17          3HB       ALA  17   8.110  -1.797   4.560
  131    H    ALA  18           H        ALA  18   5.890  -3.697   2.910
  132    HA   ALA  18           HA       ALA  18   7.341  -2.886   0.660
  133   1HB   ALA  18          1HB       ALA  18   6.965  -4.967  -0.103
  134   2HB   ALA  18          2HB       ALA  18   5.225  -4.863   0.166
  135   3HB   ALA  18          3HB       ALA  18   6.304  -5.240   1.509
  136    H    HIS  19           H        HIS  19   3.983  -2.459   1.508
  137    HA   HIS  19           HA       HIS  19   3.121  -1.714  -1.117
  138   1HB   HIS  19          2HB       HIS  19   1.321  -2.458   0.109
  139   2HB   HIS  19          1HB       HIS  19   1.913  -1.757   1.609
  140    HD2  HIS  19           2HD      HIS  19   0.773   0.588   2.309
  141    HE1  HIS  19           1HE      HIS  19  -1.108   1.367  -1.392
  142    HE2  HIS  19           2HE      HIS  19  -0.997   2.012   1.061
  143    H    MET  20           H        MET  20   3.388   0.200   1.885
  144    HA   MET  20           HA       MET  20   3.008   2.707   0.892
  145   1HB   MET  20          2HB       MET  20   3.413   2.028   3.297
  146   2HB   MET  20          1HB       MET  20   5.134   2.091   2.941
  147   1HG   MET  20          2HG       MET  20   4.669   4.491   2.152
  148   2HG   MET  20          1HG       MET  20   3.148   4.326   3.029
  149   1HE   MET  20          1HE       MET  20   3.140   5.596   5.338
  150   2HE   MET  20          2HE       MET  20   4.048   6.535   4.152
  151   3HE   MET  20          3HE       MET  20   4.664   6.357   5.795
  152    H    THR  21           H        THR  21   6.088   0.933   0.913
  153    HA   THR  21           HA       THR  21   7.717   2.960  -0.094
  154    HB   THR  21           HB       THR  21   8.574   0.842   0.824
  155    HG1  THR  21           1HG      THR  21   9.877   2.089  -0.616
  156   1HG2  THR  21          1HG2      THR  21   7.186  -0.314  -1.518
  157   2HG2  THR  21          2HG2      THR  21   7.422  -0.967   0.103
  158   3HG2  THR  21          3HG2      THR  21   8.745  -1.002  -1.064
  159    H    HIS  22           H        HIS  22   5.370   0.973  -1.682
  160    HA   HIS  22           HA       HIS  22   6.171   2.077  -4.271
  161   1HB   HIS  22          2HB       HIS  22   6.177  -0.052  -4.978
  162   2HB   HIS  22          1HB       HIS  22   5.524  -0.608  -3.445
  163    HD1  HIS  22           1HD      HIS  22   4.804  -0.783  -6.870
  164    HD2  HIS  22           2HD      HIS  22   2.465  -0.027  -3.505
  165    HE1  HIS  22           1HE      HIS  22   2.439  -1.273  -7.567
  166    HE2  HIS  22           2HE      HIS  22   1.039  -0.748  -5.541
  167    H    CYS  23           H        CYS  23   4.078   2.654  -1.898
  168    HA   CYS  23           HA       CYS  23   2.063   3.724  -3.720
  169   1HB   CYS  23          2HB       CYS  23   1.727   1.614  -1.684
  170   2HB   CYS  23          1HB       CYS  23   0.509   2.873  -1.663
  171    H    ALA  24           H        ALA  24   3.122   5.738  -3.174
  172    HA   ALA  24           HA       ALA  24   3.333   6.686  -0.513
  173   1HB   ALA  24          1HB       ALA  24   3.338   8.102  -3.168
  174   2HB   ALA  24          2HB       ALA  24   4.719   7.688  -2.153
  175   3HB   ALA  24          3HB       ALA  24   3.582   8.931  -1.630
  176    H    LYS  25           H        LYS  25   2.201   8.825   0.104
  177    HA   LYS  25           HA       LYS  25  -0.643   8.727  -0.629
  178   1HB   LYS  25          2HB       LYS  25  -0.363   7.565   1.514
  179   2HB   LYS  25          1HB       LYS  25   0.451   8.974   2.180
  180   1HG   LYS  25          2HG       LYS  25  -2.247   9.411   1.058
  181   2HG   LYS  25          1HG       LYS  25  -2.142   8.474   2.550
  182   1HD   LYS  25          2HD       LYS  25  -0.494  10.492   3.181
  183   2HD   LYS  25          1HD       LYS  25  -1.560  11.331   2.051
  184   1HE   LYS  25          2HE       LYS  25  -2.377   9.825   4.533
  185   2HE   LYS  25          1HE       LYS  25  -2.405  11.574   4.301
  186   1HZ   LYS  25          1HZ       LYS  25  -4.596  10.837   3.977
  187   2HZ   LYS  25          2HZ       LYS  25  -4.120   9.538   3.005
  188   3HZ   LYS  25          3HZ       LYS  25  -3.998  11.119   2.419
  Start of MODEL    6
    1   1H    ARG   1          1HT       ARG   1  -1.747   1.209   7.446
    2   2H    ARG   1          2HT       ARG   1  -0.361   0.265   7.087
    3   3H    ARG   1          3HT       ARG   1  -1.073   0.191   8.648
    4    HA   ARG   1           HA       ARG   1  -1.725  -1.723   7.566
    5   1HB   ARG   1          2HB       ARG   1  -3.460   0.101   8.584
    6   2HB   ARG   1          1HB       ARG   1  -4.141  -0.121   6.979
    7   1HG   ARG   1          2HG       ARG   1  -4.170  -2.576   7.409
    8   2HG   ARG   1          1HG       ARG   1  -3.678  -2.234   9.069
    9   1HD   ARG   1          2HD       ARG   1  -5.775  -0.563   8.847
   10   2HD   ARG   1          1HD       ARG   1  -6.280  -1.833   7.734
   11    HE   ARG   1           HE       ARG   1  -6.272  -1.970  10.561
   12   1HH1  ARG   1          1HH1      ARG   1  -5.654  -3.903   7.722
   13   2HH1  ARG   1          2HH1      ARG   1  -6.043  -5.399   8.503
   14   1HH2  ARG   1          1HH2      ARG   1  -6.784  -3.937  11.590
   15   2HH2  ARG   1          2HH2      ARG   1  -6.685  -5.419  10.698
   16    H    VAL   2           H        VAL   2  -1.950  -2.860   5.722
   17    HA   VAL   2           HA       VAL   2  -1.769  -1.384   3.209
   18    HB   VAL   2           HB       VAL   2  -0.136  -3.178   3.617
   19   1HG1  VAL   2          1HG1      VAL   2  -2.555  -4.688   4.239
   20   2HG1  VAL   2          2HG1      VAL   2  -0.885  -4.962   4.735
   21   3HG1  VAL   2          3HG1      VAL   2  -1.446  -5.543   3.167
   22   1HG2  VAL   2          1HG2      VAL   2  -1.874  -2.970   1.308
   23   2HG2  VAL   2          2HG2      VAL   2  -1.173  -4.582   1.459
   24   3HG2  VAL   2          3HG2      VAL   2  -0.123  -3.166   1.390
   25    H    ILE   3           H        ILE   3  -4.249  -1.122   4.285
   26    HA   ILE   3           HA       ILE   3  -5.926  -2.991   2.744
   27    HB   ILE   3           HB       ILE   3  -6.387  -3.000   5.157
   28   1HG1  ILE   3          2HG1      ILE   3  -8.813  -2.631   5.020
   29   2HG1  ILE   3          1HG1      ILE   3  -8.595  -1.716   3.532
   30   1HG2  ILE   3          1HG2      ILE   3  -6.890  -0.067   4.723
   31   2HG2  ILE   3          2HG2      ILE   3  -5.762  -0.829   5.847
   32   3HG2  ILE   3          3HG2      ILE   3  -7.500  -0.949   6.124
   33   1HD1  ILE   3          1HD1      ILE   3  -9.179  -4.367   3.681
   34   2HD1  ILE   3          2HD1      ILE   3  -7.431  -4.391   3.455
   35   3HD1  ILE   3          3HD1      ILE   3  -8.460  -3.560   2.288
   36    H    ALA   4           H        ALA   4  -5.160   0.365   3.338
   37    HA   ALA   4           HA       ALA   4  -7.303   1.590   2.027
   38   1HB   ALA   4          1HB       ALA   4  -4.563   2.384   2.798
   39   2HB   ALA   4          2HB       ALA   4  -6.109   3.165   3.128
   40   3HB   ALA   4          3HB       ALA   4  -5.346   3.352   1.549
   41    H    CYS   5           H        CYS   5  -4.449   0.019   0.785
   42    HA   CYS   5           HA       CYS   5  -4.375   1.097  -1.792
   43   1HB   CYS   5          2HB       CYS   5  -2.683  -0.455  -0.648
   44   2HB   CYS   5          1HB       CYS   5  -3.718  -1.778  -1.175
   45    H    PHE   6           H        PHE   6  -4.989   0.037  -3.822
   46    HA   PHE   6           HA       PHE   6  -7.427  -1.592  -3.593
   47   1HB   PHE   6          2HB       PHE   6  -8.188  -0.233  -5.687
   48   2HB   PHE   6          1HB       PHE   6  -8.402   0.458  -4.082
   49    HD1  PHE   6           1HD      PHE   6  -5.554   0.272  -6.495
   50    HD2  PHE   6           2HD      PHE   6  -8.056   2.718  -4.073
   51    HE1  PHE   6           1HE      PHE   6  -4.273   2.256  -7.182
   52    HE2  PHE   6           2HE      PHE   6  -6.780   4.706  -4.757
   53    HZ   PHE   6           HZ       PHE   6  -4.885   4.477  -6.313
   54    H    LEU   7           H        LEU   7  -4.717  -2.397  -4.156
   55    HA   LEU   7           HA       LEU   7  -4.998  -3.268  -6.958
   56   1HB   LEU   7          2HB       LEU   7  -2.617  -2.504  -5.330
   57   2HB   LEU   7          1HB       LEU   7  -2.424  -3.714  -6.583
   58    HG   LEU   7           HG       LEU   7  -3.539  -0.956  -7.081
   59   1HD1  LEU   7          1HD1      LEU   7  -0.738  -2.017  -7.227
   60   2HD1  LEU   7          2HD1      LEU   7  -1.327  -0.548  -6.448
   61   3HD1  LEU   7          3HD1      LEU   7  -1.266  -0.649  -8.208
   62   1HD2  LEU   7          1HD2      LEU   7  -4.284  -2.350  -8.799
   63   2HD2  LEU   7          2HD2      LEU   7  -2.780  -3.271  -8.830
   64   3HD2  LEU   7          3HD2      LEU   7  -2.815  -1.620  -9.449
   65    H    LYS   8           H        LYS   8  -4.432  -5.424  -7.471
   66    HA   LYS   8           HA       LYS   8  -5.230  -7.329  -5.524
   67   1HB   LYS   8          2HB       LYS   8  -4.286  -7.418  -8.345
   68   2HB   LYS   8          1HB       LYS   8  -4.186  -8.904  -7.411
   69   1HG   LYS   8          2HG       LYS   8  -6.271  -9.205  -8.193
   70   2HG   LYS   8          1HG       LYS   8  -6.703  -8.172  -6.829
   71   1HD   LYS   8          2HD       LYS   8  -6.421  -6.212  -8.433
   72   2HD   LYS   8          1HD       LYS   8  -6.398  -7.416  -9.724
   73   1HE   LYS   8          2HE       LYS   8  -8.614  -7.111  -7.701
   74   2HE   LYS   8          1HE       LYS   8  -8.639  -6.418  -9.322
   75   1HZ   LYS   8          1HZ       LYS   8  -8.507  -8.634 -10.248
   76   2HZ   LYS   8          2HZ       LYS   8  -9.838  -8.522  -9.210
   77   3HZ   LYS   8          3HZ       LYS   8  -8.432  -9.316  -8.701
   78    H    VAL   9           H        VAL   9  -2.107  -6.883  -7.193
   79    HA   VAL   9           HA       VAL   9  -0.791  -8.518  -5.176
   80    HB   VAL   9           HB       VAL   9  -0.204  -8.867  -7.533
   81   1HG1  VAL   9          1HG1      VAL   9   0.176  -5.961  -7.449
   82   2HG1  VAL   9          2HG1      VAL   9  -0.230  -7.018  -8.803
   83   3HG1  VAL   9          3HG1      VAL   9   1.449  -6.846  -8.291
   84   1HG2  VAL   9          1HG2      VAL   9   2.012  -9.254  -7.133
   85   2HG2  VAL   9          2HG2      VAL   9   1.460  -8.965  -5.483
   86   3HG2  VAL   9          3HG2      VAL   9   2.266  -7.678  -6.382
   87    H    CYS  10           H        CYS  10  -1.713  -6.370  -3.907
   88    HA   CYS  10           HA       CYS  10   0.696  -5.061  -3.031
   89   1HB   CYS  10          2HB       CYS  10  -0.439  -3.752  -5.049
   90   2HB   CYS  10          1HB       CYS  10  -1.467  -3.141  -3.758
   91    H    ALA  11           H        ALA  11  -2.852  -4.689  -2.901
   92    HA   ALA  11           HA       ALA  11  -2.819  -3.987  -0.126
   93   1HB   ALA  11          1HB       ALA  11  -4.574  -3.504  -2.075
   94   2HB   ALA  11          2HB       ALA  11  -5.025  -3.516  -0.370
   95   3HB   ALA  11          3HB       ALA  11  -5.332  -4.933  -1.373
   96    H    ALA  12           H        ALA  12  -3.988  -6.841  -1.913
   97    HA   ALA  12           HA       ALA  12  -4.322  -8.331   0.549
   98   1HB   ALA  12          1HB       ALA  12  -5.594  -9.778  -0.640
   99   2HB   ALA  12          2HB       ALA  12  -4.553  -9.700  -2.062
  100   3HB   ALA  12          3HB       ALA  12  -5.699  -8.400  -1.736
  101    H    ALA  13           H        ALA  13  -1.615  -7.524  -0.040
  102    HA   ALA  13           HA       ALA  13  -0.334 -10.072  -0.727
  103   1HB   ALA  13          1HB       ALA  13   0.897  -7.328  -0.517
  104   2HB   ALA  13          2HB       ALA  13   0.378  -8.107  -2.012
  105   3HB   ALA  13          3HB       ALA  13   1.701  -8.796  -1.071
  106    H    ALA  14           H        ALA  14  -1.394  -8.549   1.970
  107    HA   ALA  14           HA       ALA  14  -0.944  -8.722   4.191
  108   1HB   ALA  14          1HB       ALA  14   1.022 -10.896   3.868
  109   2HB   ALA  14          2HB       ALA  14  -0.582 -11.193   3.197
  110   3HB   ALA  14          3HB       ALA  14  -0.401 -10.793   4.906
  111    H    ASN  15           H        ASN  15   0.729  -7.011   2.513
  112    HA   ASN  15           HA       ASN  15   3.052  -6.834   4.308
  113   1HB   ASN  15          2HB       ASN  15   3.334  -7.651   1.743
  114   2HB   ASN  15          1HB       ASN  15   3.461  -5.907   1.528
  115   1HD2  ASN  15          1HD2      ASN  15   4.961  -8.754   2.717
  116   2HD2  ASN  15          2HD2      ASN  15   6.460  -8.034   3.187
  117    H    VAL  16           H        VAL  16   3.464  -4.848   5.097
  118    HA   VAL  16           HA       VAL  16   1.694  -2.674   4.229
  119    HB   VAL  16           HB       VAL  16   3.395  -2.766   6.720
  120   1HG1  VAL  16          1HG1      VAL  16   1.492  -1.111   7.396
  121   2HG1  VAL  16          2HG1      VAL  16   1.306  -0.922   5.652
  122   3HG1  VAL  16          3HG1      VAL  16   2.850  -0.548   6.420
  123   1HG2  VAL  16          1HG2      VAL  16   0.522  -3.588   6.321
  124   2HG2  VAL  16          2HG2      VAL  16   1.272  -3.319   7.895
  125   3HG2  VAL  16          3HG2      VAL  16   1.863  -4.608   6.845
  126    H    ALA  17           H        ALA  17   5.092  -3.221   5.156
  127    HA   ALA  17           HA       ALA  17   6.022  -0.685   4.355
  128   1HB   ALA  17          1HB       ALA  17   7.448  -3.311   4.724
  129   2HB   ALA  17          2HB       ALA  17   7.354  -1.960   5.854
  130   3HB   ALA  17          3HB       ALA  17   8.276  -1.795   4.360
  131    H    ALA  18           H        ALA  18   5.960  -3.812   2.673
  132    HA   ALA  18           HA       ALA  18   7.304  -3.045   0.352
  133   1HB   ALA  18          1HB       ALA  18   6.889  -5.362   0.796
  134   2HB   ALA  18          2HB       ALA  18   6.100  -4.943  -0.724
  135   3HB   ALA  18          3HB       ALA  18   5.144  -5.110   0.749
  136    H    HIS  19           H        HIS  19   3.964  -2.605   1.320
  137    HA   HIS  19           HA       HIS  19   3.055  -1.747  -1.255
  138   1HB   HIS  19          2HB       HIS  19   1.278  -2.544  -0.031
  139   2HB   HIS  19          1HB       HIS  19   1.899  -1.912   1.489
  140    HD2  HIS  19           2HD      HIS  19   0.754   0.382   2.324
  141    HE1  HIS  19           1HE      HIS  19  -1.173   1.349  -1.309
  142    HE2  HIS  19           2HE      HIS  19  -1.035   1.864   1.174
  143    H    MET  20           H        MET  20   3.408   0.027   1.825
  144    HA   MET  20           HA       MET  20   3.003   2.578   0.954
  145   1HB   MET  20          2HB       MET  20   3.415   1.859   3.313
  146   2HB   MET  20          1HB       MET  20   5.134   1.797   2.948
  147   1HG   MET  20          2HG       MET  20   4.752   4.268   2.183
  148   2HG   MET  20          1HG       MET  20   3.335   4.152   3.227
  149   1HE   MET  20          1HE       MET  20   4.352   5.689   5.887
  150   2HE   MET  20          2HE       MET  20   4.152   6.091   4.181
  151   3HE   MET  20          3HE       MET  20   5.703   6.362   4.975
  152    H    THR  21           H        THR  21   6.083   0.804   0.834
  153    HA   THR  21           HA       THR  21   7.702   2.865  -0.107
  154    HB   THR  21           HB       THR  21   8.548   0.682   0.671
  155    HG1  THR  21           1HG      THR  21   9.787   2.061  -0.773
  156   1HG2  THR  21          1HG2      THR  21   7.036  -0.314  -1.635
  157   2HG2  THR  21          2HG2      THR  21   7.489  -1.118  -0.133
  158   3HG2  THR  21          3HG2      THR  21   8.658  -0.977  -1.446
  159    H    HIS  22           H        HIS  22   5.288   1.006  -1.747
  160    HA   HIS  22           HA       HIS  22   6.040   2.257  -4.284
  161   1HB   HIS  22          2HB       HIS  22   6.038   0.177  -5.122
  162   2HB   HIS  22          1HB       HIS  22   5.422  -0.478  -3.614
  163    HD1  HIS  22           1HD      HIS  22   4.627  -0.456  -7.022
  164    HD2  HIS  22           2HD      HIS  22   2.360   0.096  -3.571
  165    HE1  HIS  22           1HE      HIS  22   2.249  -0.916  -7.696
  166    HE2  HIS  22           2HE      HIS  22   0.893  -0.512  -5.613
  167    H    CYS  23           H        CYS  23   3.997   2.676  -1.836
  168    HA   CYS  23           HA       CYS  23   1.942   3.852  -3.541
  169   1HB   CYS  23          2HB       CYS  23   1.652   1.621  -1.628
  170   2HB   CYS  23          1HB       CYS  23   0.430   2.872  -1.515
  171    H    ALA  24           H        ALA  24   4.145   4.934  -1.925
  172    HA   ALA  24           HA       ALA  24   3.314   5.931   0.546
  173   1HB   ALA  24          1HB       ALA  24   5.625   6.018  -0.742
  174   2HB   ALA  24          2HB       ALA  24   5.228   7.171   0.533
  175   3HB   ALA  24          3HB       ALA  24   5.050   7.633  -1.160
  176    H    LYS  25           H        LYS  25   2.546   8.003   1.167
  177    HA   LYS  25           HA       LYS  25   1.077   9.441  -0.943
  178   1HB   LYS  25          2HB       LYS  25  -0.414   8.064   0.511
  179   2HB   LYS  25          1HB       LYS  25   0.128   9.006   1.894
  180   1HG   LYS  25          2HG       LYS  25  -0.922  10.548  -0.388
  181   2HG   LYS  25          1HG       LYS  25  -2.089   9.556   0.489
  182   1HD   LYS  25          2HD       LYS  25  -0.200  11.460   1.857
  183   2HD   LYS  25          1HD       LYS  25  -1.809  11.934   1.308
  184   1HE   LYS  25          2HE       LYS  25  -1.287   9.628   3.175
  185   2HE   LYS  25          1HE       LYS  25  -1.660  11.262   3.721
  186   1HZ   LYS  25          1HZ       LYS  25  -3.748  10.450   3.673
  187   2HZ   LYS  25          2HZ       LYS  25  -3.399   9.264   2.520
  188   3HZ   LYS  25          3HZ       LYS  25  -3.662  10.862   2.034
  Start of MODEL    7
    1   1H    ARG   1          1HT       ARG   1  -2.812   1.095   9.477
    2   2H    ARG   1          2HT       ARG   1  -3.110   1.683   7.893
    3   3H    ARG   1          3HT       ARG   1  -1.509   1.309   8.384
    4    HA   ARG   1           HA       ARG   1  -1.913  -0.942   8.419
    5   1HB   ARG   1          2HB       ARG   1  -4.321  -0.321   9.383
    6   2HB   ARG   1          1HB       ARG   1  -4.793  -0.630   7.718
    7   1HG   ARG   1          2HG       ARG   1  -3.619  -2.855   7.929
    8   2HG   ARG   1          1HG       ARG   1  -3.512  -2.528   9.660
    9   1HD   ARG   1          2HD       ARG   1  -6.035  -2.154   9.569
   10   2HD   ARG   1          1HD       ARG   1  -5.971  -2.901   7.973
   11    HE   ARG   1           HE       ARG   1  -4.669  -4.633   9.677
   12   1HH1  ARG   1          1HH1      ARG   1  -7.868  -3.267   9.409
   13   2HH1  ARG   1          2HH1      ARG   1  -8.648  -4.632  10.133
   14   1HH2  ARG   1          1HH2      ARG   1  -5.693  -6.430  10.632
   15   2HH2  ARG   1          2HH2      ARG   1  -7.414  -6.428  10.828
   16    H    VAL   2           H        VAL   2  -2.244  -2.361   6.552
   17    HA   VAL   2           HA       VAL   2  -1.953  -0.858   4.069
   18    HB   VAL   2           HB       VAL   2  -0.261  -2.560   4.611
   19   1HG1  VAL   2          1HG1      VAL   2  -2.321  -4.071   5.533
   20   2HG1  VAL   2          2HG1      VAL   2  -0.708  -4.688   5.169
   21   3HG1  VAL   2          3HG1      VAL   2  -2.000  -4.836   3.976
   22   1HG2  VAL   2          1HG2      VAL   2  -1.539  -3.820   2.287
   23   2HG2  VAL   2          2HG2      VAL   2   0.045  -3.062   2.441
   24   3HG2  VAL   2          3HG2      VAL   2  -1.388  -2.066   2.192
   25    H    ILE   3           H        ILE   3  -4.521  -0.722   4.895
   26    HA   ILE   3           HA       ILE   3  -5.922  -2.589   3.094
   27    HB   ILE   3           HB       ILE   3  -6.481  -2.975   5.476
   28   1HG1  ILE   3          2HG1      ILE   3  -8.998  -1.832   4.433
   29   2HG1  ILE   3          1HG1      ILE   3  -8.157  -2.924   3.339
   30   1HG2  ILE   3          1HG2      ILE   3  -6.322  -0.308   5.797
   31   2HG2  ILE   3          2HG2      ILE   3  -7.174  -1.381   6.908
   32   3HG2  ILE   3          3HG2      ILE   3  -8.070  -0.503   5.668
   33   1HD1  ILE   3          1HD1      ILE   3  -9.822  -3.557   5.531
   34   2HD1  ILE   3          2HD1      ILE   3  -8.192  -4.113   5.911
   35   3HD1  ILE   3          3HD1      ILE   3  -8.986  -4.652   4.431
   36    H    ALA   4           H        ALA   4  -4.744   0.007   2.468
   37    HA   ALA   4           HA       ALA   4  -7.174   1.563   1.873
   38   1HB   ALA   4          1HB       ALA   4  -5.858   3.022   3.071
   39   2HB   ALA   4          2HB       ALA   4  -5.375   3.399   1.417
   40   3HB   ALA   4          3HB       ALA   4  -4.353   2.370   2.420
   41    H    CYS   5           H        CYS   5  -4.322   0.054   0.527
   42    HA   CYS   5           HA       CYS   5  -4.366   1.160  -2.041
   43   1HB   CYS   5          2HB       CYS   5  -2.620  -0.397  -0.913
   44   2HB   CYS   5          1HB       CYS   5  -3.609  -1.706  -1.548
   45    H    PHE   6           H        PHE   6  -4.967   0.015  -4.064
   46    HA   PHE   6           HA       PHE   6  -7.453  -1.534  -3.736
   47   1HB   PHE   6          2HB       PHE   6  -8.347  -0.393  -5.730
   48   2HB   PHE   6          1HB       PHE   6  -8.003   0.741  -4.429
   49    HD1  PHE   6           1HD      PHE   6  -7.538   0.015  -7.853
   50    HD2  PHE   6           2HD      PHE   6  -5.704   1.931  -4.525
   51    HE1  PHE   6           1HE      PHE   6  -6.151   1.346  -9.389
   52    HE2  PHE   6           2HE      PHE   6  -4.314   3.266  -6.055
   53    HZ   PHE   6           HZ       PHE   6  -4.536   2.974  -8.490
   54    H    LEU   7           H        LEU   7  -4.809  -2.575  -4.097
   55    HA   LEU   7           HA       LEU   7  -5.147  -3.845  -6.732
   56   1HB   LEU   7          2HB       LEU   7  -2.684  -2.738  -5.447
   57   2HB   LEU   7          1HB       LEU   7  -2.548  -4.109  -6.534
   58    HG   LEU   7           HG       LEU   7  -3.957  -1.605  -7.401
   59   1HD1  LEU   7          1HD1      LEU   7  -1.495  -1.332  -6.496
   60   2HD1  LEU   7          2HD1      LEU   7  -2.032  -0.522  -7.968
   61   3HD1  LEU   7          3HD1      LEU   7  -1.093  -2.011  -8.073
   62   1HD2  LEU   7          1HD2      LEU   7  -3.791  -2.455  -9.513
   63   2HD2  LEU   7          2HD2      LEU   7  -3.880  -3.959  -8.598
   64   3HD2  LEU   7          3HD2      LEU   7  -2.319  -3.357  -9.155
   65    H    LYS   8           H        LYS   8  -4.581  -6.037  -6.879
   66    HA   LYS   8           HA       LYS   8  -5.022  -7.534  -4.487
   67   1HB   LYS   8          2HB       LYS   8  -4.483  -8.241  -7.352
   68   2HB   LYS   8          1HB       LYS   8  -4.432  -9.486  -6.113
   69   1HG   LYS   8          2HG       LYS   8  -6.608  -9.702  -6.602
   70   2HG   LYS   8          1HG       LYS   8  -6.790  -8.317  -5.525
   71   1HD   LYS   8          2HD       LYS   8  -6.156  -7.660  -8.323
   72   2HD   LYS   8          1HD       LYS   8  -7.732  -8.411  -8.064
   73   1HE   LYS   8          2HE       LYS   8  -8.213  -6.704  -6.337
   74   2HE   LYS   8          1HE       LYS   8  -6.675  -5.930  -6.713
   75   1HZ   LYS   8          1HZ       LYS   8  -8.697  -6.397  -8.813
   76   2HZ   LYS   8          2HZ       LYS   8  -7.423  -5.285  -8.800
   77   3HZ   LYS   8          3HZ       LYS   8  -8.777  -5.032  -7.817
   78    H    VAL   9           H        VAL   9  -2.284  -7.471  -6.776
   79    HA   VAL   9           HA       VAL   9  -0.546  -8.975  -5.151
   80    HB   VAL   9           HB       VAL   9  -0.174  -8.689  -7.556
   81   1HG1  VAL   9          1HG1      VAL   9   1.130  -6.341  -7.941
   82   2HG1  VAL   9          2HG1      VAL   9  -0.126  -5.853  -6.805
   83   3HG1  VAL   9          3HG1      VAL   9  -0.568  -6.619  -8.330
   84   1HG2  VAL   9          1HG2      VAL   9   2.066  -8.937  -7.384
   85   2HG2  VAL   9          2HG2      VAL   9   1.714  -8.918  -5.656
   86   3HG2  VAL   9          3HG2      VAL   9   2.269  -7.450  -6.460
   87    H    CYS  10           H        CYS  10  -1.446  -5.637  -5.092
   88    HA   CYS  10           HA       CYS  10   0.831  -4.900  -3.427
   89   1HB   CYS  10          2HB       CYS  10  -0.432  -3.483  -5.321
   90   2HB   CYS  10          1HB       CYS  10  -1.382  -2.981  -3.927
   91    H    ALA  11           H        ALA  11  -2.710  -4.488  -3.200
   92    HA   ALA  11           HA       ALA  11  -2.609  -4.125  -0.363
   93   1HB   ALA  11          1HB       ALA  11  -4.756  -3.465  -0.538
   94   2HB   ALA  11          2HB       ALA  11  -5.198  -4.816  -1.584
   95   3HB   ALA  11          3HB       ALA  11  -4.386  -3.403  -2.261
   96    H    ALA  12           H        ALA  12  -3.668  -6.753  -2.503
   97    HA   ALA  12           HA       ALA  12  -4.253  -8.482  -0.254
   98   1HB   ALA  12          1HB       ALA  12  -5.378  -9.794  -1.711
   99   2HB   ALA  12          2HB       ALA  12  -4.178  -9.596  -2.989
  100   3HB   ALA  12          3HB       ALA  12  -5.359  -8.322  -2.682
  101    H    ALA  13           H        ALA  13  -1.505  -7.624  -0.451
  102    HA   ALA  13           HA       ALA  13  -0.172 -10.159  -1.120
  103   1HB   ALA  13          1HB       ALA  13   1.839  -8.305  -0.806
  104   2HB   ALA  13          2HB       ALA  13   0.548  -7.378  -1.571
  105   3HB   ALA  13          3HB       ALA  13   1.155  -8.845  -2.340
  106    H    ALA  14           H        ALA  14  -1.361  -8.549   1.477
  107    HA   ALA  14           HA       ALA  14  -1.018  -8.639   3.723
  108   1HB   ALA  14          1HB       ALA  14   0.541 -10.703   4.367
  109   2HB   ALA  14          2HB       ALA  14   0.166 -11.154   2.704
  110   3HB   ALA  14          3HB       ALA  14  -1.138 -10.902   3.864
  111    H    ASN  15           H        ASN  15   0.798  -7.047   2.085
  112    HA   ASN  15           HA       ASN  15   3.057  -6.928   3.965
  113   1HB   ASN  15          2HB       ASN  15   3.395  -7.765   1.419
  114   2HB   ASN  15          1HB       ASN  15   3.568  -6.027   1.189
  115   1HD2  ASN  15          1HD2      ASN  15   5.377  -8.557   1.344
  116   2HD2  ASN  15          2HD2      ASN  15   6.721  -7.997   2.273
  117    H    VAL  16           H        VAL  16   3.183  -5.035   4.963
  118    HA   VAL  16           HA       VAL  16   1.616  -2.790   3.982
  119    HB   VAL  16           HB       VAL  16   3.250  -2.936   6.516
  120   1HG1  VAL  16          1HG1      VAL  16   1.446  -1.226   7.192
  121   2HG1  VAL  16          2HG1      VAL  16   1.167  -1.060   5.460
  122   3HG1  VAL  16          3HG1      VAL  16   2.754  -0.695   6.136
  123   1HG2  VAL  16          1HG2      VAL  16   0.290  -3.410   6.336
  124   2HG2  VAL  16          2HG2      VAL  16   1.381  -3.737   7.682
  125   3HG2  VAL  16          3HG2      VAL  16   1.453  -4.731   6.228
  126    H    ALA  17           H        ALA  17   4.968  -3.328   5.079
  127    HA   ALA  17           HA       ALA  17   5.965  -0.830   4.308
  128   1HB   ALA  17          1HB       ALA  17   7.136  -3.449   5.014
  129   2HB   ALA  17          2HB       ALA  17   7.473  -1.842   5.659
  130   3HB   ALA  17          3HB       ALA  17   8.170  -2.338   4.116
  131    H    ALA  18           H        ALA  18   5.871  -3.913   2.553
  132    HA   ALA  18           HA       ALA  18   7.284  -3.126   0.279
  133   1HB   ALA  18          1HB       ALA  18   6.468  -5.059  -0.759
  134   2HB   ALA  18          2HB       ALA  18   4.971  -5.035   0.172
  135   3HB   ALA  18          3HB       ALA  18   6.492  -5.461   0.958
  136    H    HIS  19           H        HIS  19   3.917  -2.668   1.162
  137    HA   HIS  19           HA       HIS  19   3.112  -1.697  -1.407
  138   1HB   HIS  19          2HB       HIS  19   1.279  -2.516  -0.287
  139   2HB   HIS  19          1HB       HIS  19   1.855  -1.964   1.281
  140    HD2  HIS  19           2HD      HIS  19   0.724   0.316   2.179
  141    HE1  HIS  19           1HE      HIS  19  -1.085   1.460  -1.463
  142    HE2  HIS  19           2HE      HIS  19  -0.726   2.086   0.967
  143    H    MET  20           H        MET  20   3.391  -0.057   1.753
  144    HA   MET  20           HA       MET  20   3.039   2.535   0.975
  145   1HB   MET  20          2HB       MET  20   3.361   1.732   3.314
  146   2HB   MET  20          1HB       MET  20   5.089   1.629   3.003
  147   1HG   MET  20          2HG       MET  20   4.931   4.107   2.384
  148   2HG   MET  20          1HG       MET  20   3.356   4.065   3.173
  149   1HE   MET  20          1HE       MET  20   3.766   2.662   6.305
  150   2HE   MET  20          2HE       MET  20   2.817   3.734   5.276
  151   3HE   MET  20          3HE       MET  20   3.773   4.401   6.600
  152    H    THR  21           H        THR  21   6.099   0.727   0.876
  153    HA   THR  21           HA       THR  21   7.768   2.804   0.065
  154    HB   THR  21           HB       THR  21   8.560   0.578   0.787
  155    HG1  THR  21           1HG      THR  21   9.927   1.948  -0.460
  156   1HG2  THR  21          1HG2      THR  21   7.094  -0.306  -1.579
  157   2HG2  THR  21          2HG2      THR  21   7.571  -1.196  -0.131
  158   3HG2  THR  21          3HG2      THR  21   8.727  -0.959  -1.442
  159    H    HIS  22           H        HIS  22   5.385   1.040  -1.715
  160    HA   HIS  22           HA       HIS  22   6.231   2.369  -4.181
  161   1HB   HIS  22          2HB       HIS  22   6.225   0.319  -5.093
  162   2HB   HIS  22          1HB       HIS  22   5.551  -0.378  -3.628
  163    HD1  HIS  22           1HD      HIS  22   4.863  -0.209  -7.059
  164    HD2  HIS  22           2HD      HIS  22   2.500   0.237  -3.658
  165    HE1  HIS  22           1HE      HIS  22   2.502  -0.605  -7.822
  166    HE2  HIS  22           2HE      HIS  22   1.087  -0.264  -5.767
  167    H    CYS  23           H        CYS  23   4.122   2.736  -1.782
  168    HA   CYS  23           HA       CYS  23   2.137   4.000  -3.506
  169   1HB   CYS  23          2HB       CYS  23   1.758   1.706  -1.688
  170   2HB   CYS  23          1HB       CYS  23   0.551   2.969  -1.562
  171    H    ALA  24           H        ALA  24   4.287   5.036  -1.833
  172    HA   ALA  24           HA       ALA  24   3.418   5.946   0.663
  173   1HB   ALA  24          1HB       ALA  24   5.330   7.302  -1.236
  174   2HB   ALA  24          2HB       ALA  24   5.752   6.043  -0.076
  175   3HB   ALA  24          3HB       ALA  24   5.185   7.612   0.495
  176    H    LYS  25           H        LYS  25   2.637   7.995   1.337
  177    HA   LYS  25           HA       LYS  25   1.208   9.504  -0.751
  178   1HB   LYS  25          2HB       LYS  25  -0.366   8.137   0.544
  179   2HB   LYS  25          1HB       LYS  25   0.222   8.860   2.034
  180   1HG   LYS  25          2HG       LYS  25  -0.739  10.746  -0.013
  181   2HG   LYS  25          1HG       LYS  25  -1.961   9.704   0.718
  182   1HD   LYS  25          2HD       LYS  25   0.008  11.319   2.325
  183   2HD   LYS  25          1HD       LYS  25  -1.585  11.920   1.863
  184   1HE   LYS  25          2HE       LYS  25  -1.297   9.291   3.265
  185   2HE   LYS  25          1HE       LYS  25  -1.270  10.798   4.180
  186   1HZ   LYS  25          1HZ       LYS  25  -3.498   9.538   3.736
  187   2HZ   LYS  25          2HZ       LYS  25  -3.443  10.362   2.260
  188   3HZ   LYS  25          3HZ       LYS  25  -3.448  11.230   3.712
  Start of MODEL    8
    1   1H    ARG   1          1HT       ARG   1  -1.554   1.099   8.076
    2   2H    ARG   1          2HT       ARG   1  -0.611  -0.335   8.082
    3   3H    ARG   1          3HT       ARG   1  -1.540   0.090   9.462
    4    HA   ARG   1           HA       ARG   1  -2.590  -1.650   8.259
    5   1HB   ARG   1          2HB       ARG   1  -3.714   0.585   9.265
    6   2HB   ARG   1          1HB       ARG   1  -4.281   0.699   7.604
    7   1HG   ARG   1          2HG       ARG   1  -5.983  -0.542   8.376
    8   2HG   ARG   1          1HG       ARG   1  -4.859  -1.879   8.126
    9   1HD   ARG   1          2HD       ARG   1  -4.880  -0.396  10.723
   10   2HD   ARG   1          1HD       ARG   1  -6.091  -1.638  10.404
   11    HE   ARG   1           HE       ARG   1  -3.307  -2.038  10.977
   12   1HH1  ARG   1          1HH1      ARG   1  -6.121  -3.401   9.426
   13   2HH1  ARG   1          2HH1      ARG   1  -5.548  -5.031   9.538
   14   1HH2  ARG   1          1HH2      ARG   1  -2.553  -4.183  11.128
   15   2HH2  ARG   1          2HH2      ARG   1  -3.524  -5.475  10.505
   16    H    VAL   2           H        VAL   2  -2.237  -2.640   6.380
   17    HA   VAL   2           HA       VAL   2  -2.011  -1.089   3.923
   18    HB   VAL   2           HB       VAL   2  -0.333  -2.831   4.373
   19   1HG1  VAL   2          1HG1      VAL   2  -2.388  -4.326   5.328
   20   2HG1  VAL   2          2HG1      VAL   2  -0.801  -4.963   4.899
   21   3HG1  VAL   2          3HG1      VAL   2  -2.132  -5.063   3.746
   22   1HG2  VAL   2          1HG2      VAL   2  -1.975  -2.662   1.976
   23   2HG2  VAL   2          2HG2      VAL   2  -1.137  -4.206   2.125
   24   3HG2  VAL   2          3HG2      VAL   2  -0.220  -2.700   2.147
   25    H    ILE   3           H        ILE   3  -4.542  -0.896   4.793
   26    HA   ILE   3           HA       ILE   3  -6.036  -2.725   3.028
   27    HB   ILE   3           HB       ILE   3  -6.546  -3.096   5.425
   28   1HG1  ILE   3          2HG1      ILE   3  -9.053  -1.886   4.424
   29   2HG1  ILE   3          1HG1      ILE   3  -8.266  -3.024   3.333
   30   1HG2  ILE   3          1HG2      ILE   3  -6.250  -0.505   5.833
   31   2HG2  ILE   3          2HG2      ILE   3  -7.298  -1.488   6.857
   32   3HG2  ILE   3          3HG2      ILE   3  -7.994  -0.506   5.567
   33   1HD1  ILE   3          1HD1      ILE   3  -9.833  -3.526   5.682
   34   2HD1  ILE   3          2HD1      ILE   3  -8.235  -4.257   5.833
   35   3HD1  ILE   3          3HD1      ILE   3  -9.259  -4.651   4.452
   36    H    ALA   4           H        ALA   4  -4.799  -0.127   2.420
   37    HA   ALA   4           HA       ALA   4  -7.216   1.455   1.835
   38   1HB   ALA   4          1HB       ALA   4  -5.966   2.961   2.993
   39   2HB   ALA   4          2HB       ALA   4  -5.300   3.242   1.384
   40   3HB   ALA   4          3HB       ALA   4  -4.435   2.217   2.530
   41    H    CYS   5           H        CYS   5  -4.375  -0.070   0.491
   42    HA   CYS   5           HA       CYS   5  -4.359   1.078  -2.055
   43   1HB   CYS   5          2HB       CYS   5  -2.667  -0.540  -0.951
   44   2HB   CYS   5          1HB       CYS   5  -3.696  -1.818  -1.589
   45    H    PHE   6           H        PHE   6  -4.982   0.017  -4.106
   46    HA   PHE   6           HA       PHE   6  -7.467  -1.540  -3.855
   47   1HB   PHE   6          2HB       PHE   6  -8.447  -0.251  -5.693
   48   2HB   PHE   6          1HB       PHE   6  -8.030   0.801  -4.345
   49    HD1  PHE   6           1HD      PHE   6  -7.859   0.403  -7.812
   50    HD2  PHE   6           2HD      PHE   6  -5.620   1.869  -4.503
   51    HE1  PHE   6           1HE      PHE   6  -6.546   1.821  -9.334
   52    HE2  PHE   6           2HE      PHE   6  -4.304   3.291  -6.019
   53    HZ   PHE   6           HZ       PHE   6  -4.766   3.268  -8.439
   54    H    LEU   7           H        LEU   7  -4.751  -2.418  -4.392
   55    HA   LEU   7           HA       LEU   7  -5.097  -3.426  -7.141
   56   1HB   LEU   7          2HB       LEU   7  -2.677  -2.530  -5.648
   57   2HB   LEU   7          1HB       LEU   7  -2.502  -3.826  -6.816
   58    HG   LEU   7           HG       LEU   7  -3.764  -1.197  -7.549
   59   1HD1  LEU   7          1HD1      LEU   7  -1.299  -1.185  -6.596
   60   2HD1  LEU   7          2HD1      LEU   7  -1.757  -0.220  -8.000
   61   3HD1  LEU   7          3HD1      LEU   7  -0.928  -1.760  -8.221
   62   1HD2  LEU   7          1HD2      LEU   7  -2.220  -2.877  -9.435
   63   2HD2  LEU   7          2HD2      LEU   7  -3.684  -1.927  -9.695
   64   3HD2  LEU   7          3HD2      LEU   7  -3.782  -3.498  -8.900
   65    H    LYS   8           H        LYS   8  -4.411  -5.600  -7.548
   66    HA   LYS   8           HA       LYS   8  -5.177  -7.408  -5.492
   67   1HB   LYS   8          2HB       LYS   8  -5.138  -7.557  -8.188
   68   2HB   LYS   8          1HB       LYS   8  -3.674  -8.458  -7.817
   69   1HG   LYS   8          2HG       LYS   8  -5.027 -10.218  -7.624
   70   2HG   LYS   8          1HG       LYS   8  -5.465  -9.534  -6.058
   71   1HD   LYS   8          2HD       LYS   8  -6.895  -8.996  -8.660
   72   2HD   LYS   8          1HD       LYS   8  -7.439 -10.117  -7.410
   73   1HE   LYS   8          2HE       LYS   8  -8.078  -8.447  -5.995
   74   2HE   LYS   8          1HE       LYS   8  -6.856  -7.326  -6.593
   75   1HZ   LYS   8          1HZ       LYS   8  -8.157  -6.798  -8.448
   76   2HZ   LYS   8          2HZ       LYS   8  -9.251  -6.815  -7.158
   77   3HZ   LYS   8          3HZ       LYS   8  -9.188  -8.122  -8.230
   78    H    VAL   9           H        VAL   9  -2.075  -7.074  -7.230
   79    HA   VAL   9           HA       VAL   9  -0.717  -8.525  -5.110
   80    HB   VAL   9           HB       VAL   9  -0.145  -9.000  -7.455
   81   1HG1  VAL   9          1HG1      VAL   9  -0.336  -6.333  -7.878
   82   2HG1  VAL   9          2HG1      VAL   9   0.466  -7.458  -8.972
   83   3HG1  VAL   9          3HG1      VAL   9   1.414  -6.535  -7.807
   84   1HG2  VAL   9          1HG2      VAL   9   2.441  -8.238  -7.048
   85   2HG2  VAL   9          2HG2      VAL   9   1.687  -9.669  -6.346
   86   3HG2  VAL   9          3HG2      VAL   9   1.787  -8.177  -5.412
   87    H    CYS  10           H        CYS  10  -1.629  -6.377  -3.906
   88    HA   CYS  10           HA       CYS  10   0.743  -4.965  -3.138
   89   1HB   CYS  10          2HB       CYS  10  -0.388  -3.798  -5.248
   90   2HB   CYS  10          1HB       CYS  10  -1.422  -3.106  -4.001
   91    H    ALA  11           H        ALA  11  -2.814  -4.739  -3.051
   92    HA   ALA  11           HA       ALA  11  -2.847  -3.766  -0.359
   93   1HB   ALA  11          1HB       ALA  11  -5.077  -3.462  -0.653
   94   2HB   ALA  11          2HB       ALA  11  -5.286  -4.988  -1.512
   95   3HB   ALA  11          3HB       ALA  11  -4.614  -3.588  -2.350
   96    H    ALA  12           H        ALA  12  -4.054  -6.803  -1.797
   97    HA   ALA  12           HA       ALA  12  -4.120  -8.062   0.811
   98   1HB   ALA  12          1HB       ALA  12  -5.427  -9.688  -0.129
   99   2HB   ALA  12          2HB       ALA  12  -4.623  -9.587  -1.695
  100   3HB   ALA  12          3HB       ALA  12  -5.774  -8.341  -1.212
  101    H    ALA  13           H        ALA  13  -1.494  -7.315  -0.123
  102    HA   ALA  13           HA       ALA  13  -0.245  -9.851  -0.846
  103   1HB   ALA  13          1HB       ALA  13   0.295  -7.497  -1.847
  104   2HB   ALA  13          2HB       ALA  13   1.587  -8.662  -1.556
  105   3HB   ALA  13          3HB       ALA  13   1.311  -7.346  -0.414
  106    H    ALA  14           H        ALA  14  -1.200  -8.441   1.955
  107    HA   ALA  14           HA       ALA  14  -0.662  -8.697   4.149
  108   1HB   ALA  14          1HB       ALA  14  -0.789 -11.027   3.813
  109   2HB   ALA  14          2HB       ALA  14   0.714 -10.758   4.698
  110   3HB   ALA  14          3HB       ALA  14   0.756 -11.068   2.962
  111    H    ASN  15           H        ASN  15   0.985  -6.958   2.483
  112    HA   ASN  15           HA       ASN  15   3.294  -6.792   4.270
  113   1HB   ASN  15          2HB       ASN  15   3.647  -7.867   1.805
  114   2HB   ASN  15          1HB       ASN  15   3.887  -6.161   1.442
  115   1HD2  ASN  15          1HD2      ASN  15   5.035  -5.339   3.836
  116   2HD2  ASN  15          2HD2      ASN  15   6.596  -6.065   3.980
  117    H    VAL  16           H        VAL  16   2.959  -4.896   5.233
  118    HA   VAL  16           HA       VAL  16   1.611  -2.719   3.943
  119    HB   VAL  16           HB       VAL  16   3.150  -2.629   6.539
  120   1HG1  VAL  16          1HG1      VAL  16   0.987  -0.912   5.343
  121   2HG1  VAL  16          2HG1      VAL  16   2.623  -0.438   5.801
  122   3HG1  VAL  16          3HG1      VAL  16   1.442  -0.848   7.046
  123   1HG2  VAL  16          1HG2      VAL  16   0.600  -2.869   7.333
  124   2HG2  VAL  16          2HG2      VAL  16   1.685  -4.246   7.145
  125   3HG2  VAL  16          3HG2      VAL  16   0.541  -3.843   5.864
  126    H    ALA  17           H        ALA  17   4.944  -3.284   5.050
  127    HA   ALA  17           HA       ALA  17   5.999  -0.818   4.231
  128   1HB   ALA  17          1HB       ALA  17   7.577  -3.373   4.257
  129   2HB   ALA  17          2HB       ALA  17   7.058  -2.577   5.743
  130   3HB   ALA  17          3HB       ALA  17   8.124  -1.735   4.617
  131    H    ALA  18           H        ALA  18   5.869  -3.947   2.549
  132    HA   ALA  18           HA       ALA  18   7.250  -3.218   0.241
  133   1HB   ALA  18          1HB       ALA  18   6.494  -5.192  -0.697
  134   2HB   ALA  18          2HB       ALA  18   4.928  -5.096   0.108
  135   3HB   ALA  18          3HB       ALA  18   6.367  -5.528   1.031
  136    H    HIS  19           H        HIS  19   3.878  -2.761   1.131
  137    HA   HIS  19           HA       HIS  19   3.073  -1.811  -1.447
  138   1HB   HIS  19          2HB       HIS  19   1.240  -2.634  -0.331
  139   2HB   HIS  19          1HB       HIS  19   1.811  -2.081   1.238
  140    HD2  HIS  19           2HD      HIS  19   0.673   0.196   2.136
  141    HE1  HIS  19           1HE      HIS  19  -1.148   1.329  -1.504
  142    HE2  HIS  19           2HE      HIS  19  -0.788   1.956   0.925
  143    H    MET  20           H        MET  20   3.359  -0.159   1.708
  144    HA   MET  20           HA       MET  20   2.982   2.428   0.918
  145   1HB   MET  20          2HB       MET  20   3.553   1.341   3.258
  146   2HB   MET  20          1HB       MET  20   5.176   1.894   2.871
  147   1HG   MET  20          2HG       MET  20   4.535   4.139   2.858
  148   2HG   MET  20          1HG       MET  20   2.823   3.741   2.736
  149   1HE   MET  20          1HE       MET  20   3.241   5.760   5.742
  150   2HE   MET  20          2HE       MET  20   4.283   5.731   4.320
  151   3HE   MET  20          3HE       MET  20   4.934   5.292   5.900
  152    H    THR  21           H        THR  21   6.050   0.635   0.819
  153    HA   THR  21           HA       THR  21   7.707   2.719   0.002
  154    HB   THR  21           HB       THR  21   8.505   0.491   0.727
  155    HG1  THR  21           1HG      THR  21  10.175   0.354  -0.843
  156   1HG2  THR  21          1HG2      THR  21   7.043  -0.396  -1.636
  157   2HG2  THR  21          2HG2      THR  21   7.548  -1.291  -0.203
  158   3HG2  THR  21          3HG2      THR  21   8.685  -1.026  -1.525
  159    H    HIS  22           H        HIS  22   5.318   0.958  -1.765
  160    HA   HIS  22           HA       HIS  22   6.156   2.284  -4.237
  161   1HB   HIS  22          2HB       HIS  22   6.162   0.234  -5.147
  162   2HB   HIS  22          1HB       HIS  22   5.495  -0.468  -3.682
  163    HD1  HIS  22           1HD      HIS  22   4.801  -0.306  -7.112
  164    HD2  HIS  22           2HD      HIS  22   2.439   0.130  -3.708
  165    HE1  HIS  22           1HE      HIS  22   2.441  -0.717  -7.871
  166    HE2  HIS  22           2HE      HIS  22   1.027  -0.382  -5.814
  167    H    CYS  23           H        CYS  23   4.048   2.635  -1.832
  168    HA   CYS  23           HA       CYS  23   2.053   3.888  -3.554
  169   1HB   CYS  23          2HB       CYS  23   1.690   1.592  -1.734
  170   2HB   CYS  23          1HB       CYS  23   0.476   2.848  -1.606
  171    H    ALA  24           H        ALA  24   4.216   4.895  -1.839
  172    HA   ALA  24           HA       ALA  24   3.290   5.822   0.636
  173   1HB   ALA  24          1HB       ALA  24   5.427   6.740  -1.246
  174   2HB   ALA  24          2HB       ALA  24   5.581   6.003   0.348
  175   3HB   ALA  24          3HB       ALA  24   5.046   7.677   0.199
  176    H    LYS  25           H        LYS  25   3.067   8.257   1.102
  177    HA   LYS  25           HA       LYS  25   0.808   9.202  -0.426
  178   1HB   LYS  25          2HB       LYS  25   2.197  10.146   2.069
  179   2HB   LYS  25          1HB       LYS  25   0.966  11.127   1.285
  180   1HG   LYS  25          2HG       LYS  25   0.235   8.320   1.803
  181   2HG   LYS  25          1HG       LYS  25   0.446   9.348   3.222
  182   1HD   LYS  25          2HD       LYS  25  -1.035  11.012   1.812
  183   2HD   LYS  25          1HD       LYS  25  -1.556   9.522   1.024
  184   1HE   LYS  25          2HE       LYS  25  -2.494   8.672   2.964
  185   2HE   LYS  25          1HE       LYS  25  -1.517   9.703   4.008
  186   1HZ   LYS  25          1HZ       LYS  25  -3.792  10.455   3.980
  187   2HZ   LYS  25          2HZ       LYS  25  -3.776  10.586   2.294
  188   3HZ   LYS  25          3HZ       LYS  25  -2.811  11.612   3.231
  Start of MODEL    9
    1   1H    ARG   1          1HT       ARG   1  -1.668   1.722   7.490
    2   2H    ARG   1          2HT       ARG   1  -2.348   1.415   9.035
    3   3H    ARG   1          3HT       ARG   1  -3.361   1.848   7.719
    4    HA   ARG   1           HA       ARG   1  -1.865  -0.641   8.144
    5   1HB   ARG   1          2HB       ARG   1  -4.328   0.082   8.964
    6   2HB   ARG   1          1HB       ARG   1  -4.722  -0.499   7.352
    7   1HG   ARG   1          2HG       ARG   1  -4.264  -2.657   7.864
    8   2HG   ARG   1          1HG       ARG   1  -2.998  -2.231   9.018
    9   1HD   ARG   1          2HD       ARG   1  -5.164  -1.225  10.275
   10   2HD   ARG   1          1HD       ARG   1  -5.897  -2.582   9.420
   11    HE   ARG   1           HE       ARG   1  -3.721  -3.692  10.575
   12   1HH1  ARG   1          1HH1      ARG   1  -6.336  -1.739  11.812
   13   2HH1  ARG   1          2HH1      ARG   1  -6.289  -2.452  13.389
   14   1HH2  ARG   1          1HH2      ARG   1  -3.657  -4.630  12.649
   15   2HH2  ARG   1          2HH2      ARG   1  -4.767  -4.093  13.865
   16    H    VAL   2           H        VAL   2  -2.414  -2.272   6.404
   17    HA   VAL   2           HA       VAL   2  -1.951  -1.016   3.803
   18    HB   VAL   2           HB       VAL   2  -0.366  -2.754   4.540
   19   1HG1  VAL   2          1HG1      VAL   2  -2.820  -4.494   4.528
   20   2HG1  VAL   2          2HG1      VAL   2  -1.697  -4.199   5.855
   21   3HG1  VAL   2          3HG1      VAL   2  -1.181  -5.144   4.458
   22   1HG2  VAL   2          1HG2      VAL   2  -1.659  -4.136   2.296
   23   2HG2  VAL   2          2HG2      VAL   2  -0.038  -3.452   2.430
   24   3HG2  VAL   2          3HG2      VAL   2  -1.409  -2.406   2.058
   25    H    ILE   3           H        ILE   3  -4.564  -0.818   4.780
   26    HA   ILE   3           HA       ILE   3  -6.010  -2.643   2.971
   27    HB   ILE   3           HB       ILE   3  -6.537  -3.054   5.353
   28   1HG1  ILE   3          2HG1      ILE   3  -9.052  -1.859   4.357
   29   2HG1  ILE   3          1HG1      ILE   3  -8.244  -2.966   3.252
   30   1HG2  ILE   3          1HG2      ILE   3  -6.720  -0.185   5.408
   31   2HG2  ILE   3          2HG2      ILE   3  -6.669  -1.332   6.746
   32   3HG2  ILE   3          3HG2      ILE   3  -8.213  -0.914   6.002
   33   1HD1  ILE   3          1HD1      ILE   3  -9.726  -3.506   5.695
   34   2HD1  ILE   3          2HD1      ILE   3  -8.172  -4.335   5.618
   35   3HD1  ILE   3          3HD1      ILE   3  -9.357  -4.560   4.331
   36    H    ALA   4           H        ALA   4  -4.812  -0.027   2.390
   37    HA   ALA   4           HA       ALA   4  -7.244   1.533   1.816
   38   1HB   ALA   4          1HB       ALA   4  -4.429   2.343   2.391
   39   2HB   ALA   4          2HB       ALA   4  -5.937   2.966   3.060
   40   3HB   ALA   4          3HB       ALA   4  -5.460   3.392   1.417
   41    H    CYS   5           H        CYS   5  -4.394   0.044   0.457
   42    HA   CYS   5           HA       CYS   5  -4.389   1.208  -2.080
   43   1HB   CYS   5          2HB       CYS   5  -2.695  -0.422  -0.976
   44   2HB   CYS   5          1HB       CYS   5  -3.709  -1.688  -1.656
   45    H    PHE   6           H        PHE   6  -5.027   0.194  -4.137
   46    HA   PHE   6           HA       PHE   6  -7.568  -1.278  -3.876
   47   1HB   PHE   6          2HB       PHE   6  -8.282  -0.115  -5.967
   48   2HB   PHE   6          1HB       PHE   6  -8.047   0.971  -4.602
   49    HD1  PHE   6           1HD      PHE   6  -7.150   0.225  -7.976
   50    HD2  PHE   6           2HD      PHE   6  -5.866   2.260  -4.465
   51    HE1  PHE   6           1HE      PHE   6  -5.614   1.587  -9.331
   52    HE2  PHE   6           2HE      PHE   6  -4.329   3.627  -5.815
   53    HZ   PHE   6           HZ       PHE   6  -4.202   3.292  -8.252
   54    H    LEU   7           H        LEU   7  -4.974  -2.462  -4.150
   55    HA   LEU   7           HA       LEU   7  -5.358  -3.807  -6.735
   56   1HB   LEU   7          2HB       LEU   7  -2.814  -2.705  -5.584
   57   2HB   LEU   7          1HB       LEU   7  -2.784  -4.044  -6.717
   58    HG   LEU   7           HG       LEU   7  -4.284  -1.591  -7.495
   59   1HD1  LEU   7          1HD1      LEU   7  -1.354  -1.755  -7.069
   60   2HD1  LEU   7          2HD1      LEU   7  -2.444  -0.374  -6.946
   61   3HD1  LEU   7          3HD1      LEU   7  -1.929  -0.953  -8.530
   62   1HD2  LEU   7          1HD2      LEU   7  -3.969  -2.349  -9.624
   63   2HD2  LEU   7          2HD2      LEU   7  -3.929  -3.884  -8.758
   64   3HD2  LEU   7          3HD2      LEU   7  -2.422  -3.108  -9.245
   65    H    LYS   8           H        LYS   8  -4.949  -6.003  -6.762
   66    HA   LYS   8           HA       LYS   8  -5.188  -7.355  -4.265
   67   1HB   LYS   8          2HB       LYS   8  -4.944  -8.205  -7.125
   68   2HB   LYS   8          1HB       LYS   8  -4.740  -9.400  -5.851
   69   1HG   LYS   8          2HG       LYS   8  -6.932  -9.269  -5.185
   70   2HG   LYS   8          1HG       LYS   8  -7.135  -7.630  -5.806
   71   1HD   LYS   8          2HD       LYS   8  -6.520  -9.675  -7.831
   72   2HD   LYS   8          1HD       LYS   8  -8.082  -9.855  -7.030
   73   1HE   LYS   8          2HE       LYS   8  -8.491  -8.508  -8.917
   74   2HE   LYS   8          1HE       LYS   8  -8.467  -7.403  -7.543
   75   1HZ   LYS   8          1HZ       LYS   8  -6.270  -7.856  -9.489
   76   2HZ   LYS   8          2HZ       LYS   8  -6.138  -6.888  -8.108
   77   3HZ   LYS   8          3HZ       LYS   8  -7.218  -6.463  -9.338
   78    H    VAL   9           H        VAL   9  -2.646  -7.463  -6.768
   79    HA   VAL   9           HA       VAL   9  -0.806  -8.961  -5.293
   80    HB   VAL   9           HB       VAL   9  -0.597  -8.597  -7.711
   81   1HG1  VAL   9          1HG1      VAL   9   0.484  -5.857  -7.146
   82   2HG1  VAL   9          2HG1      VAL   9  -1.222  -6.122  -7.504
   83   3HG1  VAL   9          3HG1      VAL   9   0.007  -6.563  -8.690
   84   1HG2  VAL   9          1HG2      VAL   9   1.922  -7.442  -6.648
   85   2HG2  VAL   9          2HG2      VAL   9   1.671  -8.811  -7.732
   86   3HG2  VAL   9          3HG2      VAL   9   1.393  -8.994  -6.000
   87    H    CYS  10           H        CYS  10  -1.591  -5.573  -5.186
   88    HA   CYS  10           HA       CYS  10   0.761  -4.928  -3.599
   89   1HB   CYS  10          2HB       CYS  10  -0.517  -3.445  -5.405
   90   2HB   CYS  10          1HB       CYS  10  -1.453  -2.972  -3.991
   91    H    ALA  11           H        ALA  11  -2.722  -4.283  -3.161
   92    HA   ALA  11           HA       ALA  11  -2.545  -3.920  -0.377
   93   1HB   ALA  11          1HB       ALA  11  -4.461  -3.453  -2.219
   94   2HB   ALA  11          2HB       ALA  11  -4.746  -3.447  -0.478
   95   3HB   ALA  11          3HB       ALA  11  -5.122  -4.885  -1.428
   96    H    ALA  12           H        ALA  12  -3.553  -6.735  -2.300
   97    HA   ALA  12           HA       ALA  12  -3.830  -8.371   0.075
   98   1HB   ALA  12          1HB       ALA  12  -3.904  -9.601  -2.617
   99   2HB   ALA  12          2HB       ALA  12  -5.159  -8.424  -2.230
  100   3HB   ALA  12          3HB       ALA  12  -4.952  -9.855  -1.221
  101    H    ALA  13           H        ALA  13  -1.177  -7.343  -0.401
  102    HA   ALA  13           HA       ALA  13   0.319  -9.710  -1.251
  103   1HB   ALA  13          1HB       ALA  13   1.845  -7.337  -0.457
  104   2HB   ALA  13          2HB       ALA  13   0.734  -7.081  -1.804
  105   3HB   ALA  13          3HB       ALA  13   1.968  -8.338  -1.905
  106    H    ALA  14           H        ALA  14  -0.969  -8.557   1.548
  107    HA   ALA  14           HA       ALA  14  -0.606  -8.928   3.762
  108   1HB   ALA  14          1HB       ALA  14   1.362 -11.075   3.313
  109   2HB   ALA  14          2HB       ALA  14  -0.202 -11.285   2.527
  110   3HB   ALA  14          3HB       ALA  14  -0.115 -11.069   4.275
  111    H    ASN  15           H        ASN  15   1.156  -7.070   2.349
  112    HA   ASN  15           HA       ASN  15   3.251  -6.933   4.370
  113   1HB   ASN  15          2HB       ASN  15   3.934  -8.024   2.002
  114   2HB   ASN  15          1HB       ASN  15   4.167  -6.322   1.617
  115   1HD2  ASN  15          1HD2      ASN  15   6.337  -7.777   1.484
  116   2HD2  ASN  15          2HD2      ASN  15   7.375  -7.530   2.841
  117    H    VAL  16           H        VAL  16   2.753  -5.044   5.287
  118    HA   VAL  16           HA       VAL  16   1.523  -2.882   3.919
  119    HB   VAL  16           HB       VAL  16   2.998  -2.730   6.548
  120   1HG1  VAL  16          1HG1      VAL  16   0.849  -1.063   5.263
  121   2HG1  VAL  16          2HG1      VAL  16   2.461  -0.559   5.771
  122   3HG1  VAL  16          3HG1      VAL  16   1.242  -0.969   6.979
  123   1HG2  VAL  16          1HG2      VAL  16   0.462  -4.041   5.834
  124   2HG2  VAL  16          2HG2      VAL  16   0.397  -2.983   7.243
  125   3HG2  VAL  16          3HG2      VAL  16   1.544  -4.322   7.199
  126    H    ALA  17           H        ALA  17   4.835  -3.414   5.100
  127    HA   ALA  17           HA       ALA  17   5.904  -0.955   4.305
  128   1HB   ALA  17          1HB       ALA  17   7.052  -2.485   5.828
  129   2HB   ALA  17          2HB       ALA  17   8.086  -2.033   4.473
  130   3HB   ALA  17          3HB       ALA  17   7.311  -3.616   4.501
  131    H    ALA  18           H        ALA  18   5.730  -4.050   2.574
  132    HA   ALA  18           HA       ALA  18   7.152  -3.318   0.290
  133   1HB   ALA  18          1HB       ALA  18   6.343  -5.255  -0.694
  134   2HB   ALA  18          2HB       ALA  18   4.785  -5.142   0.126
  135   3HB   ALA  18          3HB       ALA  18   6.224  -5.621   1.027
  136    H    HIS  19           H        HIS  19   3.776  -2.812   1.149
  137    HA   HIS  19           HA       HIS  19   3.027  -1.792  -1.420
  138   1HB   HIS  19          2HB       HIS  19   1.163  -2.604  -0.349
  139   2HB   HIS  19          1HB       HIS  19   1.721  -2.097   1.240
  140    HD2  HIS  19           2HD      HIS  19   0.612   0.181   2.173
  141    HE1  HIS  19           1HE      HIS  19  -1.132   1.429  -1.466
  142    HE2  HIS  19           2HE      HIS  19  -1.086   1.783   1.048
  143    H    MET  20           H        MET  20   3.296  -0.214   1.774
  144    HA   MET  20           HA       MET  20   2.980   2.396   1.037
  145   1HB   MET  20          2HB       MET  20   3.214   1.644   3.362
  146   2HB   MET  20          1HB       MET  20   4.927   1.346   3.096
  147   1HG   MET  20          2HG       MET  20   3.843   4.064   2.566
  148   2HG   MET  20          1HG       MET  20   4.092   3.549   4.234
  149   1HE   MET  20          1HE       MET  20   5.691   5.161   4.960
  150   2HE   MET  20          2HE       MET  20   5.815   6.112   3.481
  151   3HE   MET  20          3HE       MET  20   7.275   5.515   4.269
  152    H    THR  21           H        THR  21   6.016   0.548   0.945
  153    HA   THR  21           HA       THR  21   7.725   2.616   0.197
  154    HB   THR  21           HB       THR  21   8.462   0.352   0.883
  155    HG1  THR  21           1HG      THR  21  10.118   1.308  -0.042
  156   1HG2  THR  21          1HG2      THR  21   8.656  -1.092  -1.424
  157   2HG2  THR  21          2HG2      THR  21   7.018  -0.445  -1.515
  158   3HG2  THR  21          3HG2      THR  21   7.515  -1.396  -0.115
  159    H    HIS  22           H        HIS  22   5.325   0.946  -1.642
  160    HA   HIS  22           HA       HIS  22   6.226   2.309  -4.070
  161   1HB   HIS  22          2HB       HIS  22   6.209   0.281  -5.029
  162   2HB   HIS  22          1HB       HIS  22   5.508  -0.442  -3.589
  163    HD1  HIS  22           1HD      HIS  22   4.867  -0.188  -7.024
  164    HD2  HIS  22           2HD      HIS  22   2.463   0.210  -3.644
  165    HE1  HIS  22           1HE      HIS  22   2.511  -0.540  -7.826
  166    HE2  HIS  22           2HE      HIS  22   1.074  -0.226  -5.782
  167    H    CYS  23           H        CYS  23   4.091   2.646  -1.690
  168    HA   CYS  23           HA       CYS  23   2.143   3.973  -3.412
  169   1HB   CYS  23          2HB       CYS  23   1.712   1.644  -1.649
  170   2HB   CYS  23          1HB       CYS  23   0.519   2.919  -1.510
  171    H    ALA  24           H        ALA  24   4.297   4.903  -1.644
  172    HA   ALA  24           HA       ALA  24   3.351   5.793   0.836
  173   1HB   ALA  24          1HB       ALA  24   5.642   5.955   0.616
  174   2HB   ALA  24          2HB       ALA  24   5.145   7.637   0.437
  175   3HB   ALA  24          3HB       ALA  24   5.543   6.679  -0.989
  176    H    LYS  25           H        LYS  25   3.088   8.173   1.389
  177    HA   LYS  25           HA       LYS  25   0.835   9.181  -0.021
  178   1HB   LYS  25          2HB       LYS  25   2.533  10.313   2.200
  179   2HB   LYS  25          1HB       LYS  25   1.152  11.172   1.533
  180   1HG   LYS  25          2HG       LYS  25   0.659   8.392   2.378
  181   2HG   LYS  25          1HG       LYS  25   1.011   9.550   3.662
  182   1HD   LYS  25          2HD       LYS  25  -0.748  11.034   2.489
  183   2HD   LYS  25          1HD       LYS  25  -1.249   9.541   1.694
  184   1HE   LYS  25          2HE       LYS  25  -1.674   8.498   3.829
  185   2HE   LYS  25          1HE       LYS  25  -1.048   9.911   4.679
  186   1HZ   LYS  25          1HZ       LYS  25  -2.906  11.134   4.205
  187   2HZ   LYS  25          2HZ       LYS  25  -3.595   9.595   4.339
  188   3HZ   LYS  25          3HZ       LYS  25  -3.287  10.252   2.812
  Start of MODEL   10
    1   1H    ARG   1          1HT       ARG   1  -0.859   0.752   7.957
    2   2H    ARG   1          2HT       ARG   1  -1.920   1.004   9.282
    3   3H    ARG   1          3HT       ARG   1  -2.186   1.825   7.799
    4    HA   ARG   1           HA       ARG   1  -2.355  -1.078   8.257
    5   1HB   ARG   1          2HB       ARG   1  -4.136   0.603   9.151
    6   2HB   ARG   1          1HB       ARG   1  -4.583   0.773   7.459
    7   1HG   ARG   1          2HG       ARG   1  -6.006  -0.892   7.996
    8   2HG   ARG   1          1HG       ARG   1  -4.597  -1.889   7.624
    9   1HD   ARG   1          2HD       ARG   1  -4.149  -2.320   9.843
   10   2HD   ARG   1          1HD       ARG   1  -4.966  -0.861  10.400
   11    HE   ARG   1           HE       ARG   1  -6.922  -2.462   9.293
   12   1HH1  ARG   1          1HH1      ARG   1  -4.629  -2.691  11.915
   13   2HH1  ARG   1          2HH1      ARG   1  -5.632  -3.735  12.866
   14   1HH2  ARG   1          1HH2      ARG   1  -8.241  -3.835  10.543
   15   2HH2  ARG   1          2HH2      ARG   1  -7.681  -4.385  12.088
   16    H    VAL   2           H        VAL   2  -2.413  -2.320   6.469
   17    HA   VAL   2           HA       VAL   2  -1.983  -0.998   3.901
   18    HB   VAL   2           HB       VAL   2  -0.399  -2.754   4.561
   19   1HG1  VAL   2          1HG1      VAL   2  -1.531  -4.289   5.861
   20   2HG1  VAL   2          2HG1      VAL   2  -1.354  -5.163   4.341
   21   3HG1  VAL   2          3HG1      VAL   2  -2.889  -4.396   4.743
   22   1HG2  VAL   2          1HG2      VAL   2  -1.917  -2.701   2.098
   23   2HG2  VAL   2          2HG2      VAL   2  -1.252  -4.303   2.417
   24   3HG2  VAL   2          3HG2      VAL   2  -0.183  -2.903   2.351
   25    H    ILE   3           H        ILE   3  -4.551  -0.674   4.720
   26    HA   ILE   3           HA       ILE   3  -6.036  -2.508   2.954
   27    HB   ILE   3           HB       ILE   3  -6.598  -2.888   5.336
   28   1HG1  ILE   3          2HG1      ILE   3  -9.035  -1.610   4.192
   29   2HG1  ILE   3          1HG1      ILE   3  -8.262  -2.885   3.255
   30   1HG2  ILE   3          1HG2      ILE   3  -6.206  -0.483   5.992
   31   2HG2  ILE   3          2HG2      ILE   3  -7.634  -1.251   6.687
   32   3HG2  ILE   3          3HG2      ILE   3  -7.804  -0.134   5.332
   33   1HD1  ILE   3          1HD1      ILE   3  -9.858  -3.043   5.688
   34   2HD1  ILE   3          2HD1      ILE   3  -8.375  -3.997   5.740
   35   3HD1  ILE   3          3HD1      ILE   3  -9.546  -4.258   4.448
   36    H    ALA   4           H        ALA   4  -4.768   0.050   2.338
   37    HA   ALA   4           HA       ALA   4  -7.145   1.692   1.760
   38   1HB   ALA   4          1HB       ALA   4  -4.356   2.373   2.464
   39   2HB   ALA   4          2HB       ALA   4  -5.865   3.197   2.864
   40   3HB   ALA   4          3HB       ALA   4  -5.146   3.400   1.266
   41    H    CYS   5           H        CYS   5  -4.364   0.079   0.397
   42    HA   CYS   5           HA       CYS   5  -4.337   1.210  -2.155
   43   1HB   CYS   5          2HB       CYS   5  -2.710  -0.487  -1.030
   44   2HB   CYS   5          1HB       CYS   5  -3.769  -1.707  -1.727
   45    H    PHE   6           H        PHE   6  -5.038   0.206  -4.193
   46    HA   PHE   6           HA       PHE   6  -7.628  -1.171  -3.893
   47   1HB   PHE   6          2HB       PHE   6  -8.224  -0.004  -6.082
   48   2HB   PHE   6          1HB       PHE   6  -8.150   1.010  -4.645
   49    HD1  PHE   6           1HD      PHE   6  -6.927   0.479  -7.957
   50    HD2  PHE   6           2HD      PHE   6  -6.042   2.361  -4.244
   51    HE1  PHE   6           1HE      PHE   6  -5.328   1.963  -9.095
   52    HE2  PHE   6           2HE      PHE   6  -4.442   3.849  -5.375
   53    HZ   PHE   6           HZ       PHE   6  -4.083   3.651  -7.804
   54    H    LEU   7           H        LEU   7  -5.083  -2.451  -4.189
   55    HA   LEU   7           HA       LEU   7  -5.527  -3.771  -6.781
   56   1HB   LEU   7          2HB       LEU   7  -2.781  -3.440  -5.612
   57   2HB   LEU   7          1HB       LEU   7  -3.224  -3.894  -7.245
   58    HG   LEU   7           HG       LEU   7  -3.891  -1.167  -6.188
   59   1HD1  LEU   7          1HD1      LEU   7  -1.528  -1.403  -5.785
   60   2HD1  LEU   7          2HD1      LEU   7  -1.779  -0.371  -7.193
   61   3HD1  LEU   7          3HD1      LEU   7  -1.280  -2.048  -7.407
   62   1HD2  LEU   7          1HD2      LEU   7  -4.243  -0.601  -8.378
   63   2HD2  LEU   7          2HD2      LEU   7  -4.718  -2.299  -8.413
   64   3HD2  LEU   7          3HD2      LEU   7  -3.123  -1.819  -8.989
   65    H    LYS   8           H        LYS   8  -4.550  -5.976  -6.862
   66    HA   LYS   8           HA       LYS   8  -5.161  -7.369  -4.386
   67   1HB   LYS   8          2HB       LYS   8  -4.789  -8.193  -7.242
   68   2HB   LYS   8          1HB       LYS   8  -4.682  -9.400  -5.968
   69   1HG   LYS   8          2HG       LYS   8  -6.935  -8.808  -5.222
   70   2HG   LYS   8          1HG       LYS   8  -7.040  -7.607  -6.510
   71   1HD   LYS   8          2HD       LYS   8  -6.494 -10.515  -7.052
   72   2HD   LYS   8          1HD       LYS   8  -8.131  -9.862  -6.953
   73   1HE   LYS   8          2HE       LYS   8  -6.247  -8.403  -8.697
   74   2HE   LYS   8          1HE       LYS   8  -6.718 -10.014  -9.239
   75   1HZ   LYS   8          1HZ       LYS   8  -8.122  -7.903  -9.850
   76   2HZ   LYS   8          2HZ       LYS   8  -8.826  -8.192  -8.341
   77   3HZ   LYS   8          3HZ       LYS   8  -8.870  -9.387  -9.537
   78    H    VAL   9           H        VAL   9  -2.528  -7.506  -6.792
   79    HA   VAL   9           HA       VAL   9  -0.765  -9.011  -5.222
   80    HB   VAL   9           HB       VAL   9  -0.474  -8.718  -7.643
   81   1HG1  VAL   9          1HG1      VAL   9  -0.997  -6.149  -7.358
   82   2HG1  VAL   9          2HG1      VAL   9   0.003  -6.741  -8.685
   83   3HG1  VAL   9          3HG1      VAL   9   0.760  -6.041  -7.255
   84   1HG2  VAL   9          1HG2      VAL   9   1.967  -8.413  -7.646
   85   2HG2  VAL   9          2HG2      VAL   9   1.427  -9.452  -6.328
   86   3HG2  VAL   9          3HG2      VAL   9   1.878  -7.777  -6.004
   87    H    CYS  10           H        CYS  10  -1.506  -5.615  -5.221
   88    HA   CYS  10           HA       CYS  10   0.816  -4.941  -3.609
   89   1HB   CYS  10          2HB       CYS  10  -0.436  -3.489  -5.445
   90   2HB   CYS  10          1HB       CYS  10  -1.413  -3.010  -4.062
   91    H    ALA  11           H        ALA  11  -2.682  -4.350  -3.214
   92    HA   ALA  11           HA       ALA  11  -2.531  -3.930  -0.433
   93   1HB   ALA  11          1HB       ALA  11  -4.738  -3.486  -0.555
   94   2HB   ALA  11          2HB       ALA  11  -5.086  -4.936  -1.499
   95   3HB   ALA  11          3HB       ALA  11  -4.434  -3.502  -2.292
   96    H    ALA  12           H        ALA  12  -3.503  -6.782  -2.320
   97    HA   ALA  12           HA       ALA  12  -3.775  -8.385   0.078
   98   1HB   ALA  12          1HB       ALA  12  -3.825  -9.686  -2.573
   99   2HB   ALA  12          2HB       ALA  12  -5.072  -8.478  -2.261
  100   3HB   ALA  12          3HB       ALA  12  -4.908  -9.872  -1.193
  101    H    ALA  13           H        ALA  13  -1.128  -7.341  -0.404
  102    HA   ALA  13           HA       ALA  13   0.398  -9.688  -1.240
  103   1HB   ALA  13          1HB       ALA  13   1.888  -7.313  -0.387
  104   2HB   ALA  13          2HB       ALA  13   0.798  -7.048  -1.748
  105   3HB   ALA  13          3HB       ALA  13   2.045  -8.292  -1.847
  106    H    ALA  14           H        ALA  14  -0.951  -8.604   1.553
  107    HA   ALA  14           HA       ALA  14  -0.624  -9.016   3.766
  108   1HB   ALA  14          1HB       ALA  14   0.055 -11.135   4.309
  109   2HB   ALA  14          2HB       ALA  14   1.391 -11.122   3.158
  110   3HB   ALA  14          3HB       ALA  14  -0.262 -11.342   2.586
  111    H    ASN  15           H        ASN  15   1.120  -7.090   2.418
  112    HA   ASN  15           HA       ASN  15   3.141  -6.901   4.502
  113   1HB   ASN  15          2HB       ASN  15   3.964  -8.049   2.225
  114   2HB   ASN  15          1HB       ASN  15   4.149  -6.361   1.756
  115   1HD2  ASN  15          1HD2      ASN  15   6.401  -7.536   1.710
  116   2HD2  ASN  15          2HD2      ASN  15   7.370  -7.256   3.113
  117    H    VAL  16           H        VAL  16   2.749  -4.967   5.345
  118    HA   VAL  16           HA       VAL  16   1.485  -2.860   3.896
  119    HB   VAL  16           HB       VAL  16   2.908  -2.608   6.545
  120   1HG1  VAL  16          1HG1      VAL  16   0.909  -0.944   6.805
  121   2HG1  VAL  16          2HG1      VAL  16   0.910  -0.977   5.042
  122   3HG1  VAL  16          3HG1      VAL  16   2.355  -0.463   5.915
  123   1HG2  VAL  16          1HG2      VAL  16   0.271  -2.895   7.169
  124   2HG2  VAL  16          2HG2      VAL  16   1.476  -4.180   7.264
  125   3HG2  VAL  16          3HG2      VAL  16   0.449  -4.039   5.838
  126    H    ALA  17           H        ALA  17   4.786  -3.425   5.060
  127    HA   ALA  17           HA       ALA  17   5.875  -0.958   4.288
  128   1HB   ALA  17          1HB       ALA  17   7.386  -3.559   4.323
  129   2HB   ALA  17          2HB       ALA  17   6.923  -2.697   5.791
  130   3HB   ALA  17          3HB       ALA  17   8.003  -1.934   4.624
  131    H    ALA  18           H        ALA  18   5.724  -4.059   2.558
  132    HA   ALA  18           HA       ALA  18   7.132  -3.322   0.272
  133   1HB   ALA  18          1HB       ALA  18   6.190  -5.219  -0.783
  134   2HB   ALA  18          2HB       ALA  18   4.771  -5.186   0.265
  135   3HB   ALA  18          3HB       ALA  18   6.345  -5.631   0.925
  136    H    HIS  19           H        HIS  19   3.753  -2.827   1.127
  137    HA   HIS  19           HA       HIS  19   3.006  -1.804  -1.441
  138   1HB   HIS  19          2HB       HIS  19   1.144  -2.629  -0.374
  139   2HB   HIS  19          1HB       HIS  19   1.694  -2.117   1.217
  140    HD2  HIS  19           2HD      HIS  19   0.559   0.147   2.146
  141    HE1  HIS  19           1HE      HIS  19  -1.164   1.394  -1.503
  142    HE2  HIS  19           2HE      HIS  19  -0.853   1.956   0.948
  143    H    MET  20           H        MET  20   3.261  -0.234   1.757
  144    HA   MET  20           HA       MET  20   2.935   2.378   1.022
  145   1HB   MET  20          2HB       MET  20   4.651   1.133   3.153
  146   2HB   MET  20          1HB       MET  20   4.563   2.877   2.960
  147   1HG   MET  20          2HG       MET  20   2.030   2.582   3.128
  148   2HG   MET  20          1HG       MET  20   2.393   0.966   3.734
  149   1HE   MET  20          1HE       MET  20   0.820   3.295   5.897
  150   2HE   MET  20          2HE       MET  20   1.349   4.102   4.421
  151   3HE   MET  20          3HE       MET  20   1.942   4.652   5.989
  152    H    THR  21           H        THR  21   5.978   0.541   0.939
  153    HA   THR  21           HA       THR  21   7.686   2.615   0.211
  154    HB   THR  21           HB       THR  21   8.426   0.350   0.885
  155    HG1  THR  21           1HG      THR  21  10.132   0.239  -0.637
  156   1HG2  THR  21          1HG2      THR  21   8.626  -1.086  -1.427
  157   2HG2  THR  21          2HG2      THR  21   6.988  -0.439  -1.519
  158   3HG2  THR  21          3HG2      THR  21   7.483  -1.394  -0.121
  159    H    HIS  22           H        HIS  22   5.296   0.955  -1.650
  160    HA   HIS  22           HA       HIS  22   6.203   2.340  -4.064
  161   1HB   HIS  22          2HB       HIS  22   6.204   0.322  -5.042
  162   2HB   HIS  22          1HB       HIS  22   5.508  -0.420  -3.610
  163    HD1  HIS  22           1HD      HIS  22   4.871  -0.155  -7.041
  164    HD2  HIS  22           2HD      HIS  22   2.456   0.217  -3.666
  165    HE1  HIS  22           1HE      HIS  22   2.519  -0.519  -7.850
  166    HE2  HIS  22           2HE      HIS  22   1.075  -0.224  -5.809
  167    H    CYS  23           H        CYS  23   4.053   2.645  -1.693
  168    HA   CYS  23           HA       CYS  23   2.105   3.969  -3.416
  169   1HB   CYS  23          2HB       CYS  23   1.681   1.628  -1.667
  170   2HB   CYS  23          1HB       CYS  23   0.480   2.895  -1.529
  171    H    ALA  24           H        ALA  24   3.188   5.875  -2.588
  172    HA   ALA  24           HA       ALA  24   2.958   6.423   0.258
  173   1HB   ALA  24          1HB       ALA  24   5.000   7.110  -0.810
  174   2HB   ALA  24          2HB       ALA  24   4.106   8.547  -0.316
  175   3HB   ALA  24          3HB       ALA  24   4.107   8.048  -2.007
  176    H    LYS  25           H        LYS  25   2.155   8.686   0.848
  177    HA   LYS  25           HA       LYS  25  -0.077   9.581  -0.807
  178   1HB   LYS  25          2HB       LYS  25  -0.914   7.849   0.827
  179   2HB   LYS  25          1HB       LYS  25  -0.459   8.949   2.120
  180   1HG   LYS  25          2HG       LYS  25  -2.201  10.027  -0.015
  181   2HG   LYS  25          1HG       LYS  25  -2.911   8.860   1.103
  182   1HD   LYS  25          2HD       LYS  25  -1.313  11.132   2.193
  183   2HD   LYS  25          1HD       LYS  25  -2.960  11.431   1.633
  184   1HE   LYS  25          2HE       LYS  25  -3.341   9.209   3.119
  185   2HE   LYS  25          1HE       LYS  25  -1.992   9.942   3.985
  186   1HZ   LYS  25          1HZ       LYS  25  -4.476  10.564   4.520
  187   2HZ   LYS  25          2HZ       LYS  25  -4.241  11.665   3.257
  188   3HZ   LYS  25          3HZ       LYS  25  -3.238  11.715   4.620
  Start of MODEL   11
    1   1H    ARG   1          1HT       ARG   1  -1.004   0.847   7.879
    2   2H    ARG   1          2HT       ARG   1  -2.060   0.992   9.224
    3   3H    ARG   1          3HT       ARG   1  -2.445   1.766   7.741
    4    HA   ARG   1           HA       ARG   1  -2.276  -1.135   8.213
    5   1HB   ARG   1          2HB       ARG   1  -4.562   0.810   7.895
    6   2HB   ARG   1          1HB       ARG   1  -4.761  -0.926   7.709
    7   1HG   ARG   1          2HG       ARG   1  -3.550  -0.877  10.097
    8   2HG   ARG   1          1HG       ARG   1  -4.365   0.688  10.143
    9   1HD   ARG   1          2HD       ARG   1  -6.453  -0.245  10.116
   10   2HD   ARG   1          1HD       ARG   1  -5.920  -1.677   9.236
   11    HE   ARG   1           HE       ARG   1  -4.868  -1.501  11.905
   12   1HH1  ARG   1          1HH1      ARG   1  -7.563  -2.562   9.958
   13   2HH1  ARG   1          2HH1      ARG   1  -8.084  -3.750  11.105
   14   1HH2  ARG   1          1HH2      ARG   1  -5.554  -3.062  13.415
   15   2HH2  ARG   1          2HH2      ARG   1  -6.945  -4.034  13.067
   16    H    VAL   2           H        VAL   2  -2.387  -2.410   6.426
   17    HA   VAL   2           HA       VAL   2  -2.068  -1.066   3.851
   18    HB   VAL   2           HB       VAL   2  -0.391  -2.746   4.466
   19   1HG1  VAL   2          1HG1      VAL   2  -1.193  -4.443   5.705
   20   2HG1  VAL   2          2HG1      VAL   2  -1.473  -5.205   4.140
   21   3HG1  VAL   2          3HG1      VAL   2  -2.791  -4.370   4.963
   22   1HG2  VAL   2          1HG2      VAL   2  -2.015  -2.830   2.052
   23   2HG2  VAL   2          2HG2      VAL   2  -1.169  -4.346   2.360
   24   3HG2  VAL   2          3HG2      VAL   2  -0.261  -2.840   2.238
   25    H    ILE   3           H        ILE   3  -4.600  -0.761   4.572
   26    HA   ILE   3           HA       ILE   3  -6.042  -2.689   2.880
   27    HB   ILE   3           HB       ILE   3  -6.553  -3.116   5.264
   28   1HG1  ILE   3          2HG1      ILE   3  -9.093  -1.965   4.280
   29   2HG1  ILE   3          1HG1      ILE   3  -8.269  -3.054   3.167
   30   1HG2  ILE   3          1HG2      ILE   3  -6.792  -0.250   5.323
   31   2HG2  ILE   3          2HG2      ILE   3  -6.712  -1.398   6.659
   32   3HG2  ILE   3          3HG2      ILE   3  -8.267  -1.008   5.924
   33   1HD1  ILE   3          1HD1      ILE   3  -9.458  -3.619   5.839
   34   2HD1  ILE   3          2HD1      ILE   3  -8.140  -4.624   5.235
   35   3HD1  ILE   3          3HD1      ILE   3  -9.640  -4.489   4.316
   36    H    ALA   4           H        ALA   4  -4.894  -0.042   2.313
   37    HA   ALA   4           HA       ALA   4  -7.361   1.460   1.732
   38   1HB   ALA   4          1HB       ALA   4  -5.515   3.326   1.330
   39   2HB   ALA   4          2HB       ALA   4  -4.618   2.316   2.464
   40   3HB   ALA   4          3HB       ALA   4  -6.180   2.991   2.929
   41    H    CYS   5           H        CYS   5  -4.449   0.072   0.394
   42    HA   CYS   5           HA       CYS   5  -4.453   1.257  -2.133
   43   1HB   CYS   5          2HB       CYS   5  -2.713  -0.315  -1.033
   44   2HB   CYS   5          1HB       CYS   5  -3.681  -1.618  -1.712
   45    H    PHE   6           H        PHE   6  -5.087   0.325  -4.196
   46    HA   PHE   6           HA       PHE   6  -7.583  -1.227  -3.978
   47   1HB   PHE   6          2HB       PHE   6  -8.346  -0.086  -6.007
   48   2HB   PHE   6          1HB       PHE   6  -7.952   1.078  -4.747
   49    HD1  PHE   6           1HD      PHE   6  -7.333   0.026  -8.104
   50    HD2  PHE   6           2HD      PHE   6  -5.710   2.250  -4.860
   51    HE1  PHE   6           1HE      PHE   6  -5.826   1.191  -9.662
   52    HE2  PHE   6           2HE      PHE   6  -4.200   3.420  -6.411
   53    HZ   PHE   6           HZ       PHE   6  -4.258   2.892  -8.815
   54    H    LEU   7           H        LEU   7  -4.932  -2.349  -4.197
   55    HA   LEU   7           HA       LEU   7  -5.239  -3.724  -6.781
   56   1HB   LEU   7          2HB       LEU   7  -2.765  -2.600  -5.519
   57   2HB   LEU   7          1HB       LEU   7  -2.653  -3.990  -6.582
   58    HG   LEU   7           HG       LEU   7  -4.040  -1.494  -7.499
   59   1HD1  LEU   7          1HD1      LEU   7  -1.547  -1.265  -6.580
   60   2HD1  LEU   7          2HD1      LEU   7  -2.127  -0.390  -7.997
   61   3HD1  LEU   7          3HD1      LEU   7  -1.191  -1.872  -8.196
   62   1HD2  LEU   7          1HD2      LEU   7  -2.381  -3.260  -9.215
   63   2HD2  LEU   7          2HD2      LEU   7  -3.866  -2.385  -9.589
   64   3HD2  LEU   7          3HD2      LEU   7  -3.934  -3.877  -8.651
   65    H    LYS   8           H        LYS   8  -4.904  -5.922  -6.784
   66    HA   LYS   8           HA       LYS   8  -5.255  -7.273  -4.306
   67   1HB   LYS   8          2HB       LYS   8  -4.494  -8.517  -6.949
   68   2HB   LYS   8          1HB       LYS   8  -5.309  -9.293  -5.598
   69   1HG   LYS   8          2HG       LYS   8  -7.328  -8.451  -6.153
   70   2HG   LYS   8          1HG       LYS   8  -6.655  -6.933  -6.748
   71   1HD   LYS   8          2HD       LYS   8  -5.679  -8.606  -8.603
   72   2HD   LYS   8          1HD       LYS   8  -7.147  -9.483  -8.166
   73   1HE   LYS   8          2HE       LYS   8  -8.533  -7.698  -8.798
   74   2HE   LYS   8          1HE       LYS   8  -7.192  -6.552  -8.815
   75   1HZ   LYS   8          1HZ       LYS   8  -7.052  -8.823 -10.649
   76   2HZ   LYS   8          2HZ       LYS   8  -6.514  -7.232 -10.855
   77   3HZ   LYS   8          3HZ       LYS   8  -8.158  -7.595 -11.015
   78    H    VAL   9           H        VAL   9  -2.615  -7.431  -6.703
   79    HA   VAL   9           HA       VAL   9  -0.866  -8.939  -5.111
   80    HB   VAL   9           HB       VAL   9  -0.571  -8.685  -7.535
   81   1HG1  VAL   9          1HG1      VAL   9   0.130  -5.845  -6.826
   82   2HG1  VAL   9          2HG1      VAL   9  -1.155  -6.408  -7.894
   83   3HG1  VAL   9          3HG1      VAL   9   0.534  -6.593  -8.371
   84   1HG2  VAL   9          1HG2      VAL   9   1.661  -9.021  -7.433
   85   2HG2  VAL   9          2HG2      VAL   9   1.370  -8.972  -5.695
   86   3HG2  VAL   9          3HG2      VAL   9   1.954  -7.534  -6.533
   87    H    CYS  10           H        CYS  10  -1.573  -5.532  -5.177
   88    HA   CYS  10           HA       CYS  10   0.752  -4.839  -3.586
   89   1HB   CYS  10          2HB       CYS  10  -0.565  -3.415  -5.419
   90   2HB   CYS  10          1HB       CYS  10  -1.477  -2.910  -4.000
   91    H    ALA  11           H        ALA  11  -2.752  -4.306  -3.154
   92    HA   ALA  11           HA       ALA  11  -2.566  -3.838  -0.379
   93   1HB   ALA  11          1HB       ALA  11  -4.797  -3.462  -0.456
   94   2HB   ALA  11          2HB       ALA  11  -5.115  -4.888  -1.444
   95   3HB   ALA  11          3HB       ALA  11  -4.489  -3.419  -2.192
   96    H    ALA  12           H        ALA  12  -3.552  -6.720  -2.216
   97    HA   ALA  12           HA       ALA  12  -3.754  -8.300   0.204
   98   1HB   ALA  12          1HB       ALA  12  -4.892  -9.820  -1.028
   99   2HB   ALA  12          2HB       ALA  12  -3.859  -9.616  -2.442
  100   3HB   ALA  12          3HB       ALA  12  -5.115  -8.429  -2.090
  101    H    ALA  13           H        ALA  13  -1.126  -7.244  -0.350
  102    HA   ALA  13           HA       ALA  13   0.404  -9.567  -1.232
  103   1HB   ALA  13          1HB       ALA  13   1.896  -7.212  -0.337
  104   2HB   ALA  13          2HB       ALA  13   0.779  -6.907  -1.667
  105   3HB   ALA  13          3HB       ALA  13   2.026  -8.143  -1.830
  106    H    ALA  14           H        ALA  14  -0.920  -8.565   1.604
  107    HA   ALA  14           HA       ALA  14  -0.562  -9.027   3.802
  108   1HB   ALA  14          1HB       ALA  14   0.707 -11.096   4.302
  109   2HB   ALA  14          2HB       ALA  14   1.182 -11.176   2.606
  110   3HB   ALA  14          3HB       ALA  14  -0.519 -11.314   3.053
  111    H    ASN  15           H        ASN  15   1.156  -7.060   2.487
  112    HA   ASN  15           HA       ASN  15   3.166  -6.871   4.565
  113   1HB   ASN  15          2HB       ASN  15   4.025  -8.091   2.345
  114   2HB   ASN  15          1HB       ASN  15   4.230  -6.422   1.822
  115   1HD2  ASN  15          1HD2      ASN  15   4.699  -8.109   4.909
  116   2HD2  ASN  15          2HD2      ASN  15   6.333  -7.594   5.136
  117    H    VAL  16           H        VAL  16   2.670  -4.932   5.356
  118    HA   VAL  16           HA       VAL  16   1.497  -2.843   3.836
  119    HB   VAL  16           HB       VAL  16   2.877  -2.587   6.510
  120   1HG1  VAL  16          1HG1      VAL  16   1.064  -0.852   4.908
  121   2HG1  VAL  16          2HG1      VAL  16   2.468  -0.422   5.885
  122   3HG1  VAL  16          3HG1      VAL  16   0.937  -0.817   6.667
  123   1HG2  VAL  16          1HG2      VAL  16  -0.047  -2.825   6.449
  124   2HG2  VAL  16          2HG2      VAL  16   1.128  -3.526   7.563
  125   3HG2  VAL  16          3HG2      VAL  16   0.822  -4.295   6.005
  126    H    ALA  17           H        ALA  17   4.782  -3.420   5.038
  127    HA   ALA  17           HA       ALA  17   5.914  -0.985   4.243
  128   1HB   ALA  17          1HB       ALA  17   6.952  -3.671   4.937
  129   2HB   ALA  17          2HB       ALA  17   7.350  -2.091   5.611
  130   3HB   ALA  17          3HB       ALA  17   8.035  -2.588   4.065
  131    H    ALA  18           H        ALA  18   5.672  -4.083   2.521
  132    HA   ALA  18           HA       ALA  18   7.100  -3.387   0.230
  133   1HB   ALA  18          1HB       ALA  18   6.083  -5.254  -0.828
  134   2HB   ALA  18          2HB       ALA  18   4.698  -5.202   0.263
  135   3HB   ALA  18          3HB       ALA  18   6.284  -5.677   0.872
  136    H    HIS  19           H        HIS  19   3.728  -2.828   1.084
  137    HA   HIS  19           HA       HIS  19   3.007  -1.783  -1.483
  138   1HB   HIS  19          2HB       HIS  19   1.123  -2.570  -0.430
  139   2HB   HIS  19          1HB       HIS  19   1.681  -2.092   1.166
  140    HD2  HIS  19           2HD      HIS  19   0.614   0.198   2.120
  141    HE1  HIS  19           1HE      HIS  19  -1.111   1.506  -1.507
  142    HE2  HIS  19           2HE      HIS  19  -0.767   2.046   0.945
  143    H    MET  20           H        MET  20   3.298  -0.233   1.723
  144    HA   MET  20           HA       MET  20   3.014   2.388   1.005
  145   1HB   MET  20          2HB       MET  20   3.358   1.391   3.327
  146   2HB   MET  20          1HB       MET  20   5.083   1.507   3.009
  147   1HG   MET  20          2HG       MET  20   4.883   3.510   3.980
  148   2HG   MET  20          1HG       MET  20   4.300   4.014   2.393
  149   1HE   MET  20          1HE       MET  20   1.884   3.552   6.245
  150   2HE   MET  20          2HE       MET  20   3.635   3.686   6.075
  151   3HE   MET  20          3HE       MET  20   2.818   2.184   5.642
  152    H    THR  21           H        THR  21   6.023   0.498   0.893
  153    HA   THR  21           HA       THR  21   7.761   2.550   0.165
  154    HB   THR  21           HB       THR  21   8.469   0.270   0.831
  155    HG1  THR  21           1HG      THR  21  10.186   1.060  -0.076
  156   1HG2  THR  21          1HG2      THR  21   7.009  -0.488  -1.569
  157   2HG2  THR  21          2HG2      THR  21   7.498  -1.457  -0.179
  158   3HG2  THR  21          3HG2      THR  21   8.639  -1.156  -1.491
  159    H    HIS  22           H        HIS  22   5.340   0.927  -1.689
  160    HA   HIS  22           HA       HIS  22   6.259   2.299  -4.105
  161   1HB   HIS  22          2HB       HIS  22   6.211   0.279  -5.079
  162   2HB   HIS  22          1HB       HIS  22   5.496  -0.444  -3.647
  163    HD1  HIS  22           1HD      HIS  22   4.866  -0.149  -7.081
  164    HD2  HIS  22           2HD      HIS  22   2.464   0.257  -3.701
  165    HE1  HIS  22           1HE      HIS  22   2.506  -0.454  -7.890
  166    HE2  HIS  22           2HE      HIS  22   1.070  -0.138  -5.845
  167    H    CYS  23           H        CYS  23   4.127   2.645  -1.721
  168    HA   CYS  23           HA       CYS  23   2.201   4.018  -3.429
  169   1HB   CYS  23          2HB       CYS  23   1.735   1.679  -1.689
  170   2HB   CYS  23          1HB       CYS  23   0.562   2.972  -1.537
  171    H    ALA  24           H        ALA  24   3.317   5.902  -2.603
  172    HA   ALA  24           HA       ALA  24   3.449   6.477   0.179
  173   1HB   ALA  24          1HB       ALA  24   4.649   7.525  -1.989
  174   2HB   ALA  24          2HB       ALA  24   4.558   8.346  -0.431
  175   3HB   ALA  24          3HB       ALA  24   3.406   8.744  -1.706
  176    H    LYS  25           H        LYS  25   2.450   8.762   0.836
  177    HA   LYS  25           HA       LYS  25  -0.384   8.800   0.056
  178   1HB   LYS  25          2HB       LYS  25   0.251   7.649   2.340
  179   2HB   LYS  25          1HB       LYS  25   0.367   9.309   2.904
  180   1HG   LYS  25          2HG       LYS  25  -2.073   8.399   1.446
  181   2HG   LYS  25          1HG       LYS  25  -1.861   8.012   3.155
  182   1HD   LYS  25          2HD       LYS  25  -1.272  10.612   3.247
  183   2HD   LYS  25          1HD       LYS  25  -2.335  10.626   1.839
  184   1HE   LYS  25          2HE       LYS  25  -3.778   9.088   3.522
  185   2HE   LYS  25          1HE       LYS  25  -2.948  10.127   4.679
  186   1HZ   LYS  25          1HZ       LYS  25  -4.741  10.947   2.470
  187   2HZ   LYS  25          2HZ       LYS  25  -3.747  12.041   3.290
  188   3HZ   LYS  25          3HZ       LYS  25  -4.951  11.201   4.129
  Start of MODEL   12
    1   1H    ARG   1          1HT       ARG   1  -1.254   0.926   7.231
    2   2H    ARG   1          2HT       ARG   1  -2.272   0.608   8.575
    3   3H    ARG   1          3HT       ARG   1  -2.946   1.175   7.102
    4    HA   ARG   1           HA       ARG   1  -1.568  -1.397   7.492
    5   1HB   ARG   1          2HB       ARG   1  -4.386  -0.487   7.705
    6   2HB   ARG   1          1HB       ARG   1  -4.116  -2.010   6.870
    7   1HG   ARG   1          2HG       ARG   1  -4.289  -2.875   8.931
    8   2HG   ARG   1          1HG       ARG   1  -2.598  -2.388   9.066
    9   1HD   ARG   1          2HD       ARG   1  -3.182  -0.382  10.203
   10   2HD   ARG   1          1HD       ARG   1  -4.895  -0.608   9.851
   11    HE   ARG   1           HE       ARG   1  -3.411  -1.768  12.002
   12   1HH1  ARG   1          1HH1      ARG   1  -6.138  -2.246   9.878
   13   2HH1  ARG   1          2HH1      ARG   1  -6.975  -3.285  10.980
   14   1HH2  ARG   1          1HH2      ARG   1  -4.511  -3.135  13.455
   15   2HH2  ARG   1          2HH2      ARG   1  -6.052  -3.789  13.012
   16    H    VAL   2           H        VAL   2  -2.248  -2.885   5.646
   17    HA   VAL   2           HA       VAL   2  -1.817  -1.439   3.142
   18    HB   VAL   2           HB       VAL   2  -0.295  -3.304   3.684
   19   1HG1  VAL   2          1HG1      VAL   2  -2.476  -4.594   4.637
   20   2HG1  VAL   2          2HG1      VAL   2  -0.953  -5.384   4.230
   21   3HG1  VAL   2          3HG1      VAL   2  -2.281  -5.380   3.070
   22   1HG2  VAL   2          1HG2      VAL   2  -1.227  -4.650   1.439
   23   2HG2  VAL   2          2HG2      VAL   2  -0.099  -3.295   1.467
   24   3HG2  VAL   2          3HG2      VAL   2  -1.824  -3.002   1.246
   25    H    ILE   3           H        ILE   3  -4.372  -1.149   4.153
   26    HA   ILE   3           HA       ILE   3  -6.002  -2.913   2.447
   27    HB   ILE   3           HB       ILE   3  -6.595  -2.987   4.831
   28   1HG1  ILE   3          2HG1      ILE   3  -8.892  -1.507   3.677
   29   2HG1  ILE   3          1HG1      ILE   3  -8.290  -2.871   2.739
   30   1HG2  ILE   3          1HG2      ILE   3  -5.963  -0.858   5.629
   31   2HG2  ILE   3          2HG2      ILE   3  -7.717  -0.941   5.800
   32   3HG2  ILE   3          3HG2      ILE   3  -7.002  -0.032   4.467
   33   1HD1  ILE   3          1HD1      ILE   3  -9.794  -2.823   5.239
   34   2HD1  ILE   3          2HD1      ILE   3  -8.433  -3.944   5.232
   35   3HD1  ILE   3          3HD1      ILE   3  -9.687  -4.070   3.998
   36    H    ALA   4           H        ALA   4  -5.156   0.393   3.166
   37    HA   ALA   4           HA       ALA   4  -7.199   1.744   1.827
   38   1HB   ALA   4          1HB       ALA   4  -4.413   2.395   2.612
   39   2HB   ALA   4          2HB       ALA   4  -5.927   3.198   3.031
   40   3HB   ALA   4          3HB       ALA   4  -5.205   3.449   1.442
   41    H    CYS   5           H        CYS   5  -4.438   0.017   0.602
   42    HA   CYS   5           HA       CYS   5  -4.196   1.150  -1.934
   43   1HB   CYS   5          2HB       CYS   5  -2.709  -0.608  -0.791
   44   2HB   CYS   5          1HB       CYS   5  -3.849  -1.797  -1.410
   45    H    PHE   6           H        PHE   6  -4.847   0.198  -4.019
   46    HA   PHE   6           HA       PHE   6  -7.604  -0.823  -3.875
   47   1HB   PHE   6          2HB       PHE   6  -7.865   0.170  -6.158
   48   2HB   PHE   6          1HB       PHE   6  -7.556   1.353  -4.891
   49    HD1  PHE   6           1HD      PHE   6  -6.200  -0.315  -7.848
   50    HD2  PHE   6           2HD      PHE   6  -5.480   2.577  -4.811
   51    HE1  PHE   6           1HE      PHE   6  -4.296   0.560  -9.138
   52    HE2  PHE   6           2HE      PHE   6  -3.576   3.459  -6.096
   53    HZ   PHE   6           HZ       PHE   6  -2.983   2.450  -8.262
   54    H    LEU   7           H        LEU   7  -4.423  -1.506  -4.968
   55    HA   LEU   7           HA       LEU   7  -5.252  -3.436  -6.960
   56   1HB   LEU   7          2HB       LEU   7  -2.609  -2.509  -5.891
   57   2HB   LEU   7          1HB       LEU   7  -2.710  -3.965  -6.862
   58    HG   LEU   7           HG       LEU   7  -3.809  -1.348  -7.850
   59   1HD1  LEU   7          1HD1      LEU   7  -1.283  -1.382  -7.151
   60   2HD1  LEU   7          2HD1      LEU   7  -1.786  -0.667  -8.682
   61   3HD1  LEU   7          3HD1      LEU   7  -1.101  -2.291  -8.651
   62   1HD2  LEU   7          1HD2      LEU   7  -2.967  -2.653 -10.013
   63   2HD2  LEU   7          2HD2      LEU   7  -4.568  -2.904  -9.317
   64   3HD2  LEU   7          3HD2      LEU   7  -3.265  -4.038  -8.962
   65    H    LYS   8           H        LYS   8  -5.372  -5.602  -6.725
   66    HA   LYS   8           HA       LYS   8  -5.612  -6.694  -4.120
   67   1HB   LYS   8          2HB       LYS   8  -5.301  -8.311  -6.642
   68   2HB   LYS   8          1HB       LYS   8  -6.181  -8.734  -5.181
   69   1HG   LYS   8          2HG       LYS   8  -7.985  -8.101  -6.334
   70   2HG   LYS   8          1HG       LYS   8  -7.465  -6.461  -5.942
   71   1HD   LYS   8          2HD       LYS   8  -5.971  -6.983  -8.156
   72   2HD   LYS   8          1HD       LYS   8  -7.444  -7.890  -8.508
   73   1HE   LYS   8          2HE       LYS   8  -8.581  -5.643  -7.687
   74   2HE   LYS   8          1HE       LYS   8  -7.036  -4.962  -8.198
   75   1HZ   LYS   8          1HZ       LYS   8  -7.403  -6.104 -10.369
   76   2HZ   LYS   8          2HZ       LYS   8  -8.504  -4.865 -10.037
   77   3HZ   LYS   8          3HZ       LYS   8  -8.971  -6.481  -9.855
   78    H    VAL   9           H        VAL   9  -3.228  -7.254  -6.710
   79    HA   VAL   9           HA       VAL   9  -1.585  -9.019  -5.301
   80    HB   VAL   9           HB       VAL   9  -1.395  -8.661  -7.723
   81   1HG1  VAL   9          1HG1      VAL   9  -0.366  -5.963  -6.890
   82   2HG1  VAL   9          2HG1      VAL   9  -1.688  -6.341  -7.995
   83   3HG1  VAL   9          3HG1      VAL   9  -0.021  -6.662  -8.471
   84   1HG2  VAL   9          1HG2      VAL   9   1.041  -8.724  -7.875
   85   2HG2  VAL   9          2HG2      VAL   9   0.469  -9.672  -6.503
   86   3HG2  VAL   9          3HG2      VAL   9   1.167  -8.075  -6.241
   87    H    CYS  10           H        CYS  10  -1.849  -5.551  -5.163
   88    HA   CYS  10           HA       CYS  10   0.617  -5.260  -3.655
   89   1HB   CYS  10          2HB       CYS  10  -0.322  -3.576  -5.370
   90   2HB   CYS  10          1HB       CYS  10  -1.430  -3.098  -4.089
   91    H    ALA  11           H        ALA  11  -2.821  -4.481  -3.093
   92    HA   ALA  11           HA       ALA  11  -2.552  -3.969  -0.344
   93   1HB   ALA  11          1HB       ALA  11  -4.525  -3.553  -2.065
   94   2HB   ALA  11          2HB       ALA  11  -4.808  -3.659  -0.328
   95   3HB   ALA  11          3HB       ALA  11  -5.120  -5.056  -1.360
   96    H    ALA  12           H        ALA  12  -3.528  -6.912  -2.077
   97    HA   ALA  12           HA       ALA  12  -3.693  -8.424   0.389
   98   1HB   ALA  12          1HB       ALA  12  -4.818  -9.991  -0.790
   99   2HB   ALA  12          2HB       ALA  12  -3.788  -9.823  -2.212
  100   3HB   ALA  12          3HB       ALA  12  -5.059  -8.640  -1.898
  101    H    ALA  13           H        ALA  13  -1.086  -7.341  -0.212
  102    HA   ALA  13           HA       ALA  13   0.473  -9.677  -1.011
  103   1HB   ALA  13          1HB       ALA  13   0.826  -7.149  -1.732
  104   2HB   ALA  13          2HB       ALA  13   2.176  -8.270  -1.554
  105   3HB   ALA  13          3HB       ALA  13   1.799  -7.133  -0.260
  106    H    ALA  14           H        ALA  14  -0.820  -8.519   1.786
  107    HA   ALA  14           HA       ALA  14  -0.426  -8.851   4.001
  108   1HB   ALA  14          1HB       ALA  14   1.192 -11.095   2.822
  109   2HB   ALA  14          2HB       ALA  14  -0.430 -11.163   3.512
  110   3HB   ALA  14          3HB       ALA  14   0.962 -10.887   4.559
  111    H    ASN  15           H        ASN  15   1.280  -6.972   2.548
  112    HA   ASN  15           HA       ASN  15   3.410  -6.787   4.535
  113   1HB   ASN  15          2HB       ASN  15   4.036  -7.806   2.100
  114   2HB   ASN  15          1HB       ASN  15   4.266  -6.087   1.794
  115   1HD2  ASN  15          1HD2      ASN  15   5.200  -5.213   4.207
  116   2HD2  ASN  15          2HD2      ASN  15   6.736  -5.934   4.533
  117    H    VAL  16           H        VAL  16   2.876  -4.929   5.491
  118    HA   VAL  16           HA       VAL  16   1.563  -2.781   4.173
  119    HB   VAL  16           HB       VAL  16   3.053  -2.645   6.794
  120   1HG1  VAL  16          1HG1      VAL  16   0.572  -1.123   6.332
  121   2HG1  VAL  16          2HG1      VAL  16   1.977  -0.609   5.399
  122   3HG1  VAL  16          3HG1      VAL  16   2.057  -0.654   7.160
  123   1HG2  VAL  16          1HG2      VAL  16   0.510  -2.973   7.554
  124   2HG2  VAL  16          2HG2      VAL  16   1.632  -4.320   7.356
  125   3HG2  VAL  16          3HG2      VAL  16   0.488  -3.929   6.072
  126    H    ALA  17           H        ALA  17   4.908  -3.307   5.235
  127    HA   ALA  17           HA       ALA  17   5.887  -0.775   4.464
  128   1HB   ALA  17          1HB       ALA  17   7.278  -1.889   5.937
  129   2HB   ALA  17          2HB       ALA  17   8.126  -2.091   4.404
  130   3HB   ALA  17          3HB       ALA  17   7.161  -3.413   5.058
  131    H    ALA  18           H        ALA  18   5.859  -3.910   2.791
  132    HA   ALA  18           HA       ALA  18   7.257  -3.156   0.501
  133   1HB   ALA  18          1HB       ALA  18   6.314  -5.479   1.331
  134   2HB   ALA  18          2HB       ALA  18   6.648  -5.178  -0.374
  135   3HB   ALA  18          3HB       ALA  18   4.997  -5.069   0.234
  136    H    HIS  19           H        HIS  19   3.878  -2.739   1.361
  137    HA   HIS  19           HA       HIS  19   3.066  -1.846  -1.234
  138   1HB   HIS  19          2HB       HIS  19   1.241  -2.670  -0.104
  139   2HB   HIS  19          1HB       HIS  19   1.801  -2.076   1.454
  140    HD2  HIS  19           2HD      HIS  19   0.642   0.211   2.298
  141    HE1  HIS  19           1HE      HIS  19  -1.190   1.238  -1.368
  142    HE2  HIS  19           2HE      HIS  19  -1.118   1.710   1.127
  143    H    MET  20           H        MET  20   3.298  -0.127   1.888
  144    HA   MET  20           HA       MET  20   2.901   2.438   1.052
  145   1HB   MET  20          2HB       MET  20   3.193   1.781   3.403
  146   2HB   MET  20          1HB       MET  20   4.911   1.539   3.124
  147   1HG   MET  20          2HG       MET  20   4.638   4.080   2.274
  148   2HG   MET  20          1HG       MET  20   3.382   4.019   3.508
  149   1HE   MET  20          1HE       MET  20   4.032   2.443   5.698
  150   2HE   MET  20          2HE       MET  20   3.967   4.137   6.185
  151   3HE   MET  20          3HE       MET  20   5.302   3.117   6.721
  152    H    THR  21           H        THR  21   5.997   0.688   0.998
  153    HA   THR  21           HA       THR  21   7.623   2.780   0.140
  154    HB   THR  21           HB       THR  21   8.462   0.590   0.921
  155    HG1  THR  21           1HG      THR  21  10.132   0.437  -0.639
  156   1HG2  THR  21          1HG2      THR  21   7.024  -0.387  -1.426
  157   2HG2  THR  21          2HG2      THR  21   7.508  -1.226   0.048
  158   3HG2  THR  21          3HG2      THR  21   8.667  -1.004  -1.261
  159    H    HIS  22           H        HIS  22   5.292   0.908  -1.601
  160    HA   HIS  22           HA       HIS  22   6.116   2.189  -4.100
  161   1HB   HIS  22          2HB       HIS  22   6.145   0.114  -4.953
  162   2HB   HIS  22          1HB       HIS  22   5.477  -0.552  -3.471
  163    HD1  HIS  22           1HD      HIS  22   4.799  -0.493  -6.907
  164    HD2  HIS  22           2HD      HIS  22   2.416   0.016  -3.529
  165    HE1  HIS  22           1HE      HIS  22   2.448  -0.947  -7.666
  166    HE2  HIS  22           2HE      HIS  22   1.020  -0.567  -5.628
  167    H    CYS  23           H        CYS  23   3.995   2.586  -1.715
  168    HA   CYS  23           HA       CYS  23   1.995   3.772  -3.479
  169   1HB   CYS  23          2HB       CYS  23   1.648   1.520  -1.602
  170   2HB   CYS  23          1HB       CYS  23   0.422   2.767  -1.507
  171    H    ALA  24           H        ALA  24   3.035   5.747  -2.778
  172    HA   ALA  24           HA       ALA  24   3.271   6.521  -0.081
  173   1HB   ALA  24          1HB       ALA  24   4.087   8.465  -0.888
  174   2HB   ALA  24          2HB       ALA  24   2.782   8.652  -2.060
  175   3HB   ALA  24          3HB       ALA  24   4.130   7.568  -2.406
  176    H    LYS  25           H        LYS  25   2.078   8.617   0.677
  177    HA   LYS  25           HA       LYS  25  -0.787   8.438   0.067
  178   1HB   LYS  25          2HB       LYS  25  -0.200   7.109   2.137
  179   2HB   LYS  25          1HB       LYS  25   0.273   8.627   2.887
  180   1HG   LYS  25          2HG       LYS  25  -2.437   8.442   1.689
  181   2HG   LYS  25          1HG       LYS  25  -2.133   7.611   3.215
  182   1HD   LYS  25          2HD       LYS  25  -1.016   9.994   3.762
  183   2HD   LYS  25          1HD       LYS  25  -2.256  10.502   2.614
  184   1HE   LYS  25          2HE       LYS  25  -3.682   8.822   4.180
  185   2HE   LYS  25          1HE       LYS  25  -2.521   9.446   5.350
  186   1HZ   LYS  25          1HZ       LYS  25  -3.383  11.521   5.240
  187   2HZ   LYS  25          2HZ       LYS  25  -4.784  10.674   4.813
  188   3HZ   LYS  25          3HZ       LYS  25  -3.832  11.390   3.614
  Start of MODEL   13
    1   1H    ARG   1          1HT       ARG   1  -2.549   2.041   7.581
    2   2H    ARG   1          2HT       ARG   1  -1.095   1.393   8.224
    3   3H    ARG   1          3HT       ARG   1  -2.483   1.548   9.222
    4    HA   ARG   1           HA       ARG   1  -1.948  -0.716   8.378
    5   1HB   ARG   1          2HB       ARG   1  -4.213   0.422   9.167
    6   2HB   ARG   1          1HB       ARG   1  -4.671   0.135   7.493
    7   1HG   ARG   1          2HG       ARG   1  -4.474  -2.191   7.722
    8   2HG   ARG   1          1HG       ARG   1  -3.578  -2.048   9.236
    9   1HD   ARG   1          2HD       ARG   1  -5.788  -0.820  10.008
   10   2HD   ARG   1          1HD       ARG   1  -6.494  -1.788   8.714
   11    HE   ARG   1           HE       ARG   1  -6.265  -3.636  10.035
   12   1HH1  ARG   1          1HH1      ARG   1  -4.193  -1.119  11.281
   13   2HH1  ARG   1          2HH1      ARG   1  -3.753  -2.011  12.699
   14   1HH2  ARG   1          1HH2      ARG   1  -5.687  -4.810  11.898
   15   2HH2  ARG   1          2HH2      ARG   1  -4.601  -4.107  13.049
   16    H    VAL   2           H        VAL   2  -2.362  -2.189   6.612
   17    HA   VAL   2           HA       VAL   2  -1.804  -0.940   4.028
   18    HB   VAL   2           HB       VAL   2  -0.294  -2.730   4.793
   19   1HG1  VAL   2          1HG1      VAL   2  -1.679  -4.143   6.074
   20   2HG1  VAL   2          2HG1      VAL   2  -1.195  -5.096   4.672
   21   3HG1  VAL   2          3HG1      VAL   2  -2.806  -4.381   4.738
   22   1HG2  VAL   2          1HG2      VAL   2  -1.248  -2.335   2.292
   23   2HG2  VAL   2          2HG2      VAL   2  -1.599  -4.049   2.512
   24   3HG2  VAL   2          3HG2      VAL   2   0.053  -3.458   2.691
   25    H    ILE   3           H        ILE   3  -4.427  -0.647   4.928
   26    HA   ILE   3           HA       ILE   3  -5.893  -2.428   3.092
   27    HB   ILE   3           HB       ILE   3  -6.494  -2.801   5.465
   28   1HG1  ILE   3          2HG1      ILE   3  -8.941  -1.527   4.408
   29   2HG1  ILE   3          1HG1      ILE   3  -8.145  -2.657   3.315
   30   1HG2  ILE   3          1HG2      ILE   3  -6.151  -0.219   5.900
   31   2HG2  ILE   3          2HG2      ILE   3  -7.247  -1.186   6.887
   32   3HG2  ILE   3          3HG2      ILE   3  -7.886  -0.181   5.586
   33   1HD1  ILE   3          1HD1      ILE   3  -9.224  -4.275   4.367
   34   2HD1  ILE   3          2HD1      ILE   3  -9.772  -3.173   5.630
   35   3HD1  ILE   3          3HD1      ILE   3  -8.199  -3.960   5.767
   36    H    ALA   4           H        ALA   4  -4.610   0.030   2.369
   37    HA   ALA   4           HA       ALA   4  -6.983   1.592   1.595
   38   1HB   ALA   4          1HB       ALA   4  -6.123   3.131   3.027
   39   2HB   ALA   4          2HB       ALA   4  -5.163   3.537   1.603
   40   3HB   ALA   4          3HB       ALA   4  -4.476   2.521   2.870
   41    H    CYS   5           H        CYS   5  -5.513  -0.525   0.195
   42    HA   CYS   5           HA       CYS   5  -4.500   1.031  -2.093
   43   1HB   CYS   5          2HB       CYS   5  -2.853  -0.493  -0.910
   44   2HB   CYS   5          1HB       CYS   5  -3.821  -1.847  -1.483
   45    H    PHE   6           H        PHE   6  -5.202   0.509  -4.150
   46    HA   PHE   6           HA       PHE   6  -7.624  -1.151  -4.238
   47   1HB   PHE   6          2HB       PHE   6  -8.175   0.084  -6.298
   48   2HB   PHE   6          1HB       PHE   6  -7.943   1.169  -4.931
   49    HD1  PHE   6           1HD      PHE   6  -6.744   0.155  -8.195
   50    HD2  PHE   6           2HD      PHE   6  -5.909   2.546  -4.776
   51    HE1  PHE   6           1HE      PHE   6  -5.088   1.429  -9.495
   52    HE2  PHE   6           2HE      PHE   6  -4.252   3.824  -6.069
   53    HZ   PHE   6           HZ       PHE   6  -3.839   3.266  -8.432
   54    H    LEU   7           H        LEU   7  -5.015  -2.338  -4.273
   55    HA   LEU   7           HA       LEU   7  -5.108  -3.578  -6.940
   56   1HB   LEU   7          2HB       LEU   7  -2.742  -2.531  -5.436
   57   2HB   LEU   7          1HB       LEU   7  -2.546  -3.898  -6.517
   58    HG   LEU   7           HG       LEU   7  -3.685  -1.240  -7.376
   59   1HD1  LEU   7          1HD1      LEU   7  -0.988  -2.084  -8.235
   60   2HD1  LEU   7          2HD1      LEU   7  -1.149  -1.514  -6.573
   61   3HD1  LEU   7          3HD1      LEU   7  -1.628  -0.473  -7.914
   62   1HD2  LEU   7          1HD2      LEU   7  -2.771  -2.342  -9.609
   63   2HD2  LEU   7          2HD2      LEU   7  -4.395  -2.663  -9.003
   64   3HD2  LEU   7          3HD2      LEU   7  -3.099  -3.824  -8.711
   65    H    LYS   8           H        LYS   8  -4.812  -5.778  -7.012
   66    HA   LYS   8           HA       LYS   8  -5.330  -7.211  -4.592
   67   1HB   LYS   8          2HB       LYS   8  -4.606  -8.312  -7.313
   68   2HB   LYS   8          1HB       LYS   8  -5.365  -9.194  -5.994
   69   1HG   LYS   8          2HG       LYS   8  -7.264  -8.728  -7.078
   70   2HG   LYS   8          1HG       LYS   8  -7.110  -7.146  -6.312
   71   1HD   LYS   8          2HD       LYS   8  -6.360  -6.136  -8.246
   72   2HD   LYS   8          1HD       LYS   8  -5.753  -7.648  -8.924
   73   1HE   LYS   8          2HE       LYS   8  -8.408  -8.180  -8.740
   74   2HE   LYS   8          1HE       LYS   8  -8.431  -6.448  -9.067
   75   1HZ   LYS   8          1HZ       LYS   8  -7.594  -8.648 -10.777
   76   2HZ   LYS   8          2HZ       LYS   8  -6.670  -7.234 -10.876
   77   3HZ   LYS   8          3HZ       LYS   8  -8.333  -7.181 -11.183
   78    H    VAL   9           H        VAL   9  -2.669  -7.480  -6.958
   79    HA   VAL   9           HA       VAL   9  -1.023  -9.098  -5.384
   80    HB   VAL   9           HB       VAL   9  -0.658  -8.786  -7.785
   81   1HG1  VAL   9          1HG1      VAL   9   0.787  -6.575  -8.222
   82   2HG1  VAL   9          2HG1      VAL   9  -0.286  -5.973  -6.957
   83   3HG1  VAL   9          3HG1      VAL   9  -0.962  -6.642  -8.442
   84   1HG2  VAL   9          1HG2      VAL   9   1.870  -7.767  -6.603
   85   2HG2  VAL   9          2HG2      VAL   9   1.596  -9.126  -7.693
   86   3HG2  VAL   9          3HG2      VAL   9   1.215  -9.281  -5.978
   87    H    CYS  10           H        CYS  10  -1.608  -5.683  -5.268
   88    HA   CYS  10           HA       CYS  10   0.743  -5.150  -3.650
   89   1HB   CYS  10          2HB       CYS  10  -0.427  -3.576  -5.405
   90   2HB   CYS  10          1HB       CYS  10  -1.458  -3.161  -4.041
   91    H    ALA  11           H        ALA  11  -2.723  -4.443  -3.180
   92    HA   ALA  11           HA       ALA  11  -2.547  -4.136  -0.397
   93   1HB   ALA  11          1HB       ALA  11  -4.768  -3.713  -0.464
   94   2HB   ALA  11          2HB       ALA  11  -5.113  -5.095  -1.504
   95   3HB   ALA  11          3HB       ALA  11  -4.459  -3.612  -2.198
   96    H    ALA  12           H        ALA  12  -3.475  -6.937  -2.369
   97    HA   ALA  12           HA       ALA  12  -3.798  -8.608  -0.024
   98   1HB   ALA  12          1HB       ALA  12  -4.881 -10.067  -1.365
   99   2HB   ALA  12          2HB       ALA  12  -3.760  -9.839  -2.707
  100   3HB   ALA  12          3HB       ALA  12  -5.026  -8.649  -2.402
  101    H    ALA  13           H        ALA  13  -1.148  -7.526  -0.404
  102    HA   ALA  13           HA       ALA  13   0.403  -9.883  -1.193
  103   1HB   ALA  13          1HB       ALA  13   1.845  -7.428  -0.463
  104   2HB   ALA  13          2HB       ALA  13   0.787  -7.295  -1.867
  105   3HB   ALA  13          3HB       ALA  13   2.064  -8.511  -1.837
  106    H    ALA  14           H        ALA  14  -0.938  -8.648   1.546
  107    HA   ALA  14           HA       ALA  14  -0.599  -8.933   3.778
  108   1HB   ALA  14          1HB       ALA  14   1.046 -10.976   4.231
  109   2HB   ALA  14          2HB       ALA  14   0.715 -11.273   2.525
  110   3HB   ALA  14          3HB       ALA  14  -0.614 -11.201   3.681
  111    H    ASN  15           H        ASN  15   1.164  -7.111   2.318
  112    HA   ASN  15           HA       ASN  15   3.279  -6.940   4.332
  113   1HB   ASN  15          2HB       ASN  15   3.904  -7.926   1.889
  114   2HB   ASN  15          1HB       ASN  15   4.116  -6.203   1.591
  115   1HD2  ASN  15          1HD2      ASN  15   5.074  -5.312   3.971
  116   2HD2  ASN  15          2HD2      ASN  15   6.613  -6.027   4.295
  117    H    VAL  16           H        VAL  16   2.916  -5.063   5.305
  118    HA   VAL  16           HA       VAL  16   1.538  -2.901   4.040
  119    HB   VAL  16           HB       VAL  16   3.072  -2.798   6.637
  120   1HG1  VAL  16          1HG1      VAL  16   0.578  -1.272   6.139
  121   2HG1  VAL  16          2HG1      VAL  16   2.049  -0.726   5.332
  122   3HG1  VAL  16          3HG1      VAL  16   2.000  -0.843   7.091
  123   1HG2  VAL  16          1HG2      VAL  16   0.547  -4.139   5.942
  124   2HG2  VAL  16          2HG2      VAL  16   0.493  -3.125   7.384
  125   3HG2  VAL  16          3HG2      VAL  16   1.664  -4.439   7.273
  126    H    ALA  17           H        ALA  17   4.879  -3.346   5.190
  127    HA   ALA  17           HA       ALA  17   5.858  -0.850   4.383
  128   1HB   ALA  17          1HB       ALA  17   7.046  -3.452   5.127
  129   2HB   ALA  17          2HB       ALA  17   7.378  -1.831   5.742
  130   3HB   ALA  17          3HB       ALA  17   8.070  -2.351   4.205
  131    H    ALA  18           H        ALA  18   5.804  -3.964   2.676
  132    HA   ALA  18           HA       ALA  18   7.195  -3.192   0.385
  133   1HB   ALA  18          1HB       ALA  18   6.557  -5.196  -0.521
  134   2HB   ALA  18          2HB       ALA  18   4.921  -5.096   0.131
  135   3HB   ALA  18          3HB       ALA  18   6.267  -5.521   1.188
  136    H    HIS  19           H        HIS  19   3.809  -2.802   1.253
  137    HA   HIS  19           HA       HIS  19   3.006  -1.854  -1.326
  138   1HB   HIS  19          2HB       HIS  19   1.178  -2.713  -0.230
  139   2HB   HIS  19          1HB       HIS  19   1.729  -2.162   1.347
  140    HD2  HIS  19           2HD      HIS  19   0.555   0.095   2.252
  141    HE1  HIS  19           1HE      HIS  19  -1.269   1.216  -1.389
  142    HE2  HIS  19           2HE      HIS  19  -0.927   1.840   1.044
  143    H    MET  20           H        MET  20   3.237  -0.212   1.838
  144    HA   MET  20           HA       MET  20   2.820   2.372   1.058
  145   1HB   MET  20          2HB       MET  20   3.214   1.474   3.402
  146   2HB   MET  20          1HB       MET  20   4.935   1.621   3.073
  147   1HG   MET  20          2HG       MET  20   4.604   4.032   2.641
  148   2HG   MET  20          1HG       MET  20   2.912   3.848   3.098
  149   1HE   MET  20          1HE       MET  20   3.377   5.770   5.666
  150   2HE   MET  20          2HE       MET  20   4.226   5.926   4.128
  151   3HE   MET  20          3HE       MET  20   5.138   5.861   5.637
  152    H    THR  21           H        THR  21   5.922   0.635   0.970
  153    HA   THR  21           HA       THR  21   7.545   2.753   0.174
  154    HB   THR  21           HB       THR  21   8.382   0.539   0.892
  155    HG1  THR  21           1HG      THR  21  10.150   0.794  -0.247
  156   1HG2  THR  21          1HG2      THR  21   8.600  -0.968  -1.361
  157   2HG2  THR  21          2HG2      THR  21   6.948  -0.364  -1.483
  158   3HG2  THR  21          3HG2      THR  21   7.456  -1.256  -0.050
  159    H    HIS  22           H        HIS  22   5.206   0.951  -1.620
  160    HA   HIS  22           HA       HIS  22   6.031   2.308  -4.078
  161   1HB   HIS  22          2HB       HIS  22   6.077   0.263  -5.001
  162   2HB   HIS  22          1HB       HIS  22   5.416  -0.458  -3.542
  163    HD1  HIS  22           1HD      HIS  22   4.735  -0.289  -6.975
  164    HD2  HIS  22           2HD      HIS  22   2.351   0.087  -3.580
  165    HE1  HIS  22           1HE      HIS  22   2.386  -0.738  -7.747
  166    HE2  HIS  22           2HE      HIS  22   0.957  -0.447  -5.694
  167    H    CYS  23           H        CYS  23   3.904   2.607  -1.685
  168    HA   CYS  23           HA       CYS  23   1.896   3.837  -3.408
  169   1HB   CYS  23          2HB       CYS  23   1.562   1.523  -1.604
  170   2HB   CYS  23          1HB       CYS  23   0.326   2.758  -1.478
  171    H    ALA  24           H        ALA  24   4.022   4.895  -1.703
  172    HA   ALA  24           HA       ALA  24   3.139   5.764   0.793
  173   1HB   ALA  24          1HB       ALA  24   5.454   5.960   0.106
  174   2HB   ALA  24          2HB       ALA  24   4.829   7.538   0.581
  175   3HB   ALA  24          3HB       ALA  24   5.014   7.141  -1.127
  176    H    LYS  25           H        LYS  25   2.077   7.586   1.517
  177    HA   LYS  25           HA       LYS  25   0.038   8.628  -0.130
  178   1HB   LYS  25          2HB       LYS  25   0.393   8.481   2.537
  179   2HB   LYS  25          1HB       LYS  25   0.818  10.168   2.278
  180   1HG   LYS  25          2HG       LYS  25  -1.661   9.247   0.976
  181   2HG   LYS  25          1HG       LYS  25  -1.681   9.313   2.740
  182   1HD   LYS  25          2HD       LYS  25  -0.506  11.687   2.135
  183   2HD   LYS  25          1HD       LYS  25  -1.600  11.487   0.764
  184   1HE   LYS  25          2HE       LYS  25  -2.290  11.546   3.693
  185   2HE   LYS  25          1HE       LYS  25  -2.792  12.679   2.439
  186   1HZ   LYS  25          1HZ       LYS  25  -4.579  11.172   2.991
  187   2HZ   LYS  25          2HZ       LYS  25  -3.609   9.830   2.643
  188   3HZ   LYS  25          3HZ       LYS  25  -4.064  10.889   1.404
  Start of MODEL   14
    1   1H    ARG   1          1HT       ARG   1  -1.503   1.205   8.747
    2   2H    ARG   1          2HT       ARG   1  -0.750  -0.337   8.813
    3   3H    ARG   1          3HT       ARG   1  -1.754   0.187  10.103
    4    HA   ARG   1           HA       ARG   1  -2.847  -1.414   8.717
    5   1HB   ARG   1          2HB       ARG   1  -3.891   0.703   9.862
    6   2HB   ARG   1          1HB       ARG   1  -4.139   1.244   8.207
    7   1HG   ARG   1          2HG       ARG   1  -6.102   0.184   8.435
    8   2HG   ARG   1          1HG       ARG   1  -5.146  -1.247   8.043
    9   1HD   ARG   1          2HD       ARG   1  -5.588  -0.287  10.860
   10   2HD   ARG   1          1HD       ARG   1  -6.659  -1.437  10.060
   11    HE   ARG   1           HE       ARG   1  -4.159  -2.502   9.772
   12   1HH1  ARG   1          1HH1      ARG   1  -6.108  -1.482  12.481
   13   2HH1  ARG   1          2HH1      ARG   1  -5.415  -2.632  13.575
   14   1HH2  ARG   1          1HH2      ARG   1  -3.246  -4.017  11.208
   15   2HH2  ARG   1          2HH2      ARG   1  -3.789  -4.071  12.852
   16    H    VAL   2           H        VAL   2  -2.228  -2.292   6.829
   17    HA   VAL   2           HA       VAL   2  -1.802  -0.614   4.490
   18    HB   VAL   2           HB       VAL   2  -0.202  -2.415   4.948
   19   1HG1  VAL   2          1HG1      VAL   2  -1.066  -4.274   5.849
   20   2HG1  VAL   2          2HG1      VAL   2  -1.372  -4.760   4.182
   21   3HG1  VAL   2          3HG1      VAL   2  -2.653  -4.002   5.129
   22   1HG2  VAL   2          1HG2      VAL   2  -1.680  -2.101   2.461
   23   2HG2  VAL   2          2HG2      VAL   2  -0.889  -3.672   2.592
   24   3HG2  VAL   2          3HG2      VAL   2   0.058  -2.193   2.741
   25    H    ILE   3           H        ILE   3  -4.363  -0.334   5.094
   26    HA   ILE   3           HA       ILE   3  -5.789  -2.094   3.208
   27    HB   ILE   3           HB       ILE   3  -6.548  -2.370   5.547
   28   1HG1  ILE   3          2HG1      ILE   3  -8.862  -1.022   4.292
   29   2HG1  ILE   3          1HG1      ILE   3  -8.056  -2.234   3.300
   30   1HG2  ILE   3          1HG2      ILE   3  -6.134   0.234   5.895
   31   2HG2  ILE   3          2HG2      ILE   3  -7.266  -0.685   6.885
   32   3HG2  ILE   3          3HG2      ILE   3  -7.860   0.284   5.536
   33   1HD1  ILE   3          1HD1      ILE   3  -9.267  -2.636   6.023
   34   2HD1  ILE   3          2HD1      ILE   3  -8.339  -3.856   5.149
   35   3HD1  ILE   3          3HD1      ILE   3  -9.861  -3.261   4.485
   36    H    ALA   4           H        ALA   4  -4.357   0.283   2.495
   37    HA   ALA   4           HA       ALA   4  -6.601   1.987   1.631
   38   1HB   ALA   4          1HB       ALA   4  -3.967   2.712   2.778
   39   2HB   ALA   4          2HB       ALA   4  -5.536   3.498   2.950
   40   3HB   ALA   4          3HB       ALA   4  -4.591   3.728   1.479
   41    H    CYS   5           H        CYS   5  -5.415  -0.340   0.303
   42    HA   CYS   5           HA       CYS   5  -4.397   0.992  -2.120
   43   1HB   CYS   5          2HB       CYS   5  -2.781  -0.540  -0.846
   44   2HB   CYS   5          1HB       CYS   5  -3.797  -1.869  -1.390
   45    H    PHE   6           H        PHE   6  -4.955  -0.047  -4.152
   46    HA   PHE   6           HA       PHE   6  -7.454  -1.600  -3.993
   47   1HB   PHE   6          2HB       PHE   6  -8.124  -0.412  -6.119
   48   2HB   PHE   6          1HB       PHE   6  -8.087   0.598  -4.678
   49    HD1  PHE   6           1HD      PHE   6  -6.929   0.191  -8.015
   50    HD2  PHE   6           2HD      PHE   6  -5.998   2.014  -4.285
   51    HE1  PHE   6           1HE      PHE   6  -5.424   1.763  -9.163
   52    HE2  PHE   6           2HE      PHE   6  -4.492   3.590  -5.426
   53    HZ   PHE   6           HZ       PHE   6  -4.204   3.466  -7.869
   54    H    LEU   7           H        LEU   7  -4.799  -2.645  -4.237
   55    HA   LEU   7           HA       LEU   7  -5.001  -3.853  -6.915
   56   1HB   LEU   7          2HB       LEU   7  -2.610  -2.778  -5.480
   57   2HB   LEU   7          1HB       LEU   7  -2.414  -4.133  -6.575
   58    HG   LEU   7           HG       LEU   7  -3.686  -1.534  -7.413
   59   1HD1  LEU   7          1HD1      LEU   7  -1.159  -1.595  -6.585
   60   2HD1  LEU   7          2HD1      LEU   7  -1.679  -0.632  -7.968
   61   3HD1  LEU   7          3HD1      LEU   7  -0.917  -2.203  -8.222
   62   1HD2  LEU   7          1HD2      LEU   7  -2.804  -2.479  -9.660
   63   2HD2  LEU   7          2HD2      LEU   7  -4.290  -3.134  -8.971
   64   3HD2  LEU   7          3HD2      LEU   7  -2.773  -4.019  -8.803
   65    H    LYS   8           H        LYS   8  -4.525  -6.046  -7.075
   66    HA   LYS   8           HA       LYS   8  -5.039  -7.580  -4.723
   67   1HB   LYS   8          2HB       LYS   8  -4.430  -8.260  -7.585
   68   2HB   LYS   8          1HB       LYS   8  -4.491  -9.519  -6.358
   69   1HG   LYS   8          2HG       LYS   8  -6.735  -9.407  -6.155
   70   2HG   LYS   8          1HG       LYS   8  -6.785  -7.666  -6.444
   71   1HD   LYS   8          2HD       LYS   8  -5.975  -9.377  -8.720
   72   2HD   LYS   8          1HD       LYS   8  -7.665  -9.464  -8.221
   73   1HE   LYS   8          2HE       LYS   8  -7.743  -6.966  -8.359
   74   2HE   LYS   8          1HE       LYS   8  -6.127  -7.013  -9.063
   75   1HZ   LYS   8          1HZ       LYS   8  -8.118  -8.721 -10.316
   76   2HZ   LYS   8          2HZ       LYS   8  -6.905  -7.774 -11.019
   77   3HZ   LYS   8          3HZ       LYS   8  -8.349  -7.056 -10.509
   78    H    VAL   9           H        VAL   9  -2.263  -7.582  -6.969
   79    HA   VAL   9           HA       VAL   9  -0.589  -9.146  -5.355
   80    HB   VAL   9           HB       VAL   9  -0.162  -8.764  -7.743
   81   1HG1  VAL   9          1HG1      VAL   9  -0.701  -6.203  -7.387
   82   2HG1  VAL   9          2HG1      VAL   9   0.362  -6.750  -8.684
   83   3HG1  VAL   9          3HG1      VAL   9   1.050  -6.106  -7.193
   84   1HG2  VAL   9          1HG2      VAL   9   2.298  -7.657  -6.561
   85   2HG2  VAL   9          2HG2      VAL   9   2.054  -9.115  -7.522
   86   3HG2  VAL   9          3HG2      VAL   9   1.674  -9.120  -5.799
   87    H    CYS  10           H        CYS  10  -1.430  -5.799  -5.179
   88    HA   CYS  10           HA       CYS  10   0.821  -5.178  -3.429
   89   1HB   CYS  10          2HB       CYS  10  -0.277  -3.650  -5.299
   90   2HB   CYS  10          1HB       CYS  10  -1.361  -3.217  -3.980
   91    H    ALA  11           H        ALA  11  -2.695  -4.586  -3.268
   92    HA   ALA  11           HA       ALA  11  -2.694  -4.330  -0.440
   93   1HB   ALA  11          1HB       ALA  11  -4.413  -3.579  -2.362
   94   2HB   ALA  11          2HB       ALA  11  -4.855  -3.711  -0.660
   95   3HB   ALA  11          3HB       ALA  11  -5.231  -5.025  -1.774
   96    H    ALA  12           H        ALA  12  -3.654  -6.945  -2.637
   97    HA   ALA  12           HA       ALA  12  -4.303  -8.701  -0.425
   98   1HB   ALA  12          1HB       ALA  12  -5.366 -10.005  -1.933
   99   2HB   ALA  12          2HB       ALA  12  -4.118  -9.795  -3.162
  100   3HB   ALA  12          3HB       ALA  12  -5.317  -8.529  -2.896
  101    H    ALA  13           H        ALA  13  -1.558  -7.814  -0.517
  102    HA   ALA  13           HA       ALA  13  -0.200 -10.366  -1.077
  103   1HB   ALA  13          1HB       ALA  13   0.545  -7.592  -1.659
  104   2HB   ALA  13          2HB       ALA  13   1.048  -9.093  -2.435
  105   3HB   ALA  13          3HB       ALA  13   1.834  -8.565  -0.948
  106    H    ALA  14           H        ALA  14  -1.385  -8.575   1.400
  107    HA   ALA  14           HA       ALA  14  -1.027  -8.490   3.644
  108   1HB   ALA  14          1HB       ALA  14  -0.244 -10.445   4.694
  109   2HB   ALA  14          2HB       ALA  14   0.761 -10.882   3.313
  110   3HB   ALA  14          3HB       ALA  14  -0.996 -10.991   3.195
  111    H    ASN  15           H        ASN  15   0.809  -7.059   1.858
  112    HA   ASN  15           HA       ASN  15   3.171  -6.935   3.617
  113   1HB   ASN  15          2HB       ASN  15   2.907  -6.934   0.686
  114   2HB   ASN  15          1HB       ASN  15   3.977  -5.685   1.318
  115   1HD2  ASN  15          1HD2      ASN  15   5.650  -6.421   2.848
  116   2HD2  ASN  15          2HD2      ASN  15   6.381  -7.962   2.573
  117    H    VAL  16           H        VAL  16   3.207  -5.184   4.847
  118    HA   VAL  16           HA       VAL  16   1.570  -2.884   4.182
  119    HB   VAL  16           HB       VAL  16   3.372  -3.259   6.576
  120   1HG1  VAL  16          1HG1      VAL  16   0.946  -1.608   6.751
  121   2HG1  VAL  16          2HG1      VAL  16   2.216  -0.972   5.705
  122   3HG1  VAL  16          3HG1      VAL  16   2.563  -1.327   7.398
  123   1HG2  VAL  16          1HG2      VAL  16   0.475  -3.569   6.928
  124   2HG2  VAL  16          2HG2      VAL  16   1.810  -4.489   7.623
  125   3HG2  VAL  16          3HG2      VAL  16   1.244  -4.850   5.993
  126    H    ALA  17           H        ALA  17   4.963  -3.255   5.232
  127    HA   ALA  17           HA       ALA  17   5.790  -0.701   4.452
  128   1HB   ALA  17          1HB       ALA  17   7.228  -3.260   5.014
  129   2HB   ALA  17          2HB       ALA  17   7.247  -1.741   5.911
  130   3HB   ALA  17          3HB       ALA  17   8.112  -1.871   4.380
  131    H    ALA  18           H        ALA  18   5.895  -3.786   2.707
  132    HA   ALA  18           HA       ALA  18   7.294  -2.923   0.448
  133   1HB   ALA  18          1HB       ALA  18   6.257  -5.295   1.267
  134   2HB   ALA  18          2HB       ALA  18   6.914  -4.992  -0.342
  135   3HB   ALA  18          3HB       ALA  18   5.175  -4.890  -0.066
  136    H    HIS  19           H        HIS  19   3.920  -2.600   1.327
  137    HA   HIS  19           HA       HIS  19   3.049  -1.738  -1.260
  138   1HB   HIS  19          2HB       HIS  19   1.268  -2.602  -0.084
  139   2HB   HIS  19          1HB       HIS  19   1.830  -1.958   1.453
  140    HD2  HIS  19           2HD      HIS  19   0.594   0.296   2.268
  141    HE1  HIS  19           1HE      HIS  19  -1.260   1.225  -1.412
  142    HE2  HIS  19           2HE      HIS  19  -1.205   1.731   1.077
  143    H    MET  20           H        MET  20   3.254   0.016   1.845
  144    HA   MET  20           HA       MET  20   2.806   2.562   0.984
  145   1HB   MET  20          2HB       MET  20   4.492   1.437   3.177
  146   2HB   MET  20          1HB       MET  20   4.574   3.163   2.850
  147   1HG   MET  20          2HG       MET  20   1.935   2.913   2.943
  148   2HG   MET  20          1HG       MET  20   2.364   1.542   3.965
  149   1HE   MET  20          1HE       MET  20   2.612   1.592   6.178
  150   2HE   MET  20          2HE       MET  20   3.061   2.920   7.247
  151   3HE   MET  20          3HE       MET  20   4.291   2.125   6.264
  152    H    THR  21           H        THR  21   5.937   0.879   0.939
  153    HA   THR  21           HA       THR  21   7.520   2.996   0.061
  154    HB   THR  21           HB       THR  21   8.409   0.834   0.854
  155    HG1  THR  21           1HG      THR  21   9.852   2.037  -0.295
  156   1HG2  THR  21          1HG2      THR  21   7.007  -0.192  -1.512
  157   2HG2  THR  21          2HG2      THR  21   7.423  -0.989   0.006
  158   3HG2  THR  21          3HG2      THR  21   8.638  -0.811  -1.260
  159    H    HIS  22           H        HIS  22   5.224   1.063  -1.663
  160    HA   HIS  22           HA       HIS  22   6.012   2.351  -4.170
  161   1HB   HIS  22          2HB       HIS  22   6.094   0.278  -5.021
  162   2HB   HIS  22          1HB       HIS  22   5.463  -0.402  -3.529
  163    HD1  HIS  22           1HD      HIS  22   4.753  -0.399  -6.955
  164    HD2  HIS  22           2HD      HIS  22   2.381   0.081  -3.563
  165    HE1  HIS  22           1HE      HIS  22   2.407  -0.928  -7.689
  166    HE2  HIS  22           2HE      HIS  22   0.987  -0.573  -5.641
  167    H    CYS  23           H        CYS  23   3.887   2.712  -1.786
  168    HA   CYS  23           HA       CYS  23   1.849   3.821  -3.556
  169   1HB   CYS  23          2HB       CYS  23   1.572   1.583  -1.650
  170   2HB   CYS  23          1HB       CYS  23   0.310   2.796  -1.569
  171    H    ALA  24           H        ALA  24   3.965   4.980  -1.886
  172    HA   ALA  24           HA       ALA  24   2.834   6.016   0.510
  173   1HB   ALA  24          1HB       ALA  24   5.243   5.846   0.207
  174   2HB   ALA  24          2HB       ALA  24   4.771   7.512   0.537
  175   3HB   ALA  24          3HB       ALA  24   5.174   7.019  -1.108
  176    H    LYS  25           H        LYS  25   2.943   8.568   0.738
  177    HA   LYS  25           HA       LYS  25   1.086   9.605  -1.286
  178   1HB   LYS  25          2HB       LYS  25   1.643  10.818   1.416
  179   2HB   LYS  25          1HB       LYS  25   0.265  11.107   0.363
  180   1HG   LYS  25          2HG       LYS  25  -0.218   8.588   0.713
  181   2HG   LYS  25          1HG       LYS  25   0.849   8.755   2.109
  182   1HD   LYS  25          2HD       LYS  25  -0.611  10.738   2.775
  183   2HD   LYS  25          1HD       LYS  25  -1.757  10.154   1.568
  184   1HE   LYS  25          2HE       LYS  25  -2.086   8.120   2.720
  185   2HE   LYS  25          1HE       LYS  25  -0.681   8.390   3.751
  186   1HZ   LYS  25          1HZ       LYS  25  -3.167   8.883   4.522
  187   2HZ   LYS  25          2HZ       LYS  25  -2.778  10.400   3.884
  188   3HZ   LYS  25          3HZ       LYS  25  -1.834   9.737   5.120
  Start of MODEL   15
    1   1H    ARG   1          1HT       ARG   1  -1.122   0.620   7.698
    2   2H    ARG   1          2HT       ARG   1  -1.825   0.463   9.256
    3   3H    ARG   1          3HT       ARG   1  -2.659   1.310   8.017
    4    HA   ARG   1           HA       ARG   1  -2.078  -1.567   8.179
    5   1HB   ARG   1          2HB       ARG   1  -4.001  -0.460   9.458
    6   2HB   ARG   1          1HB       ARG   1  -4.712  -0.126   7.884
    7   1HG   ARG   1          2HG       ARG   1  -5.749  -2.087   8.306
    8   2HG   ARG   1          1HG       ARG   1  -4.276  -2.735   7.581
    9   1HD   ARG   1          2HD       ARG   1  -4.696  -3.964   9.580
   10   2HD   ARG   1          1HD       ARG   1  -3.317  -2.907   9.882
   11    HE   ARG   1           HE       ARG   1  -4.558  -1.785  11.449
   12   1HH1  ARG   1          1HH1      ARG   1  -6.685  -3.776   9.528
   13   2HH1  ARG   1          2HH1      ARG   1  -8.060  -3.506  10.543
   14   1HH2  ARG   1          1HH2      ARG   1  -6.367  -1.427  12.785
   15   2HH2  ARG   1          2HH2      ARG   1  -7.881  -2.171  12.392
   16    H    VAL   2           H        VAL   2  -1.955  -2.661   6.324
   17    HA   VAL   2           HA       VAL   2  -2.072  -1.243   3.823
   18    HB   VAL   2           HB       VAL   2  -0.358  -2.956   4.206
   19   1HG1  VAL   2          1HG1      VAL   2  -0.761  -5.084   4.825
   20   2HG1  VAL   2          2HG1      VAL   2  -2.211  -5.211   3.830
   21   3HG1  VAL   2          3HG1      VAL   2  -2.288  -4.416   5.403
   22   1HG2  VAL   2          1HG2      VAL   2  -0.445  -2.874   1.969
   23   2HG2  VAL   2          2HG2      VAL   2  -2.205  -2.963   1.938
   24   3HG2  VAL   2          3HG2      VAL   2  -1.250  -4.438   2.091
   25    H    ILE   3           H        ILE   3  -4.486  -0.826   4.489
   26    HA   ILE   3           HA       ILE   3  -6.089  -2.761   2.970
   27    HB   ILE   3           HB       ILE   3  -6.476  -3.132   5.390
   28   1HG1  ILE   3          2HG1      ILE   3  -9.024  -1.922   4.461
   29   2HG1  ILE   3          1HG1      ILE   3  -8.288  -3.121   3.403
   30   1HG2  ILE   3          1HG2      ILE   3  -7.500  -0.296   5.345
   31   2HG2  ILE   3          2HG2      ILE   3  -6.080  -0.887   6.208
   32   3HG2  ILE   3          3HG2      ILE   3  -7.689  -1.430   6.684
   33   1HD1  ILE   3          1HD1      ILE   3  -9.554  -3.440   6.044
   34   2HD1  ILE   3          2HD1      ILE   3  -8.136  -4.438   5.722
   35   3HD1  ILE   3          3HD1      ILE   3  -9.534  -4.520   4.651
   36    H    ALA   4           H        ALA   4  -4.884  -0.108   2.373
   37    HA   ALA   4           HA       ALA   4  -7.351   1.411   1.835
   38   1HB   ALA   4          1HB       ALA   4  -4.537   2.485   1.950
   39   2HB   ALA   4          2HB       ALA   4  -5.694   2.554   3.280
   40   3HB   ALA   4          3HB       ALA   4  -6.025   3.417   1.778
   41    H    CYS   5           H        CYS   5  -4.453   0.026   0.461
   42    HA   CYS   5           HA       CYS   5  -4.478   1.227  -2.057
   43   1HB   CYS   5          2HB       CYS   5  -2.728  -0.350  -0.989
   44   2HB   CYS   5          1HB       CYS   5  -3.709  -1.652  -1.651
   45    H    PHE   6           H        PHE   6  -5.058   0.191  -4.134
   46    HA   PHE   6           HA       PHE   6  -7.526  -1.402  -3.912
   47   1HB   PHE   6          2HB       PHE   6  -8.454  -0.162  -5.804
   48   2HB   PHE   6          1HB       PHE   6  -8.055   0.933  -4.485
   49    HD1  PHE   6           1HD      PHE   6  -7.754   0.342  -7.938
   50    HD2  PHE   6           2HD      PHE   6  -5.695   2.044  -4.625
   51    HE1  PHE   6           1HE      PHE   6  -6.397   1.695  -9.481
   52    HE2  PHE   6           2HE      PHE   6  -4.336   3.401  -6.163
   53    HZ   PHE   6           HZ       PHE   6  -4.686   3.227  -8.594
   54    H    LEU   7           H        LEU   7  -4.826  -2.339  -4.329
   55    HA   LEU   7           HA       LEU   7  -5.064  -3.381  -7.076
   56   1HB   LEU   7          2HB       LEU   7  -2.705  -2.536  -5.463
   57   2HB   LEU   7          1HB       LEU   7  -2.502  -3.865  -6.589
   58    HG   LEU   7           HG       LEU   7  -3.658  -1.239  -7.480
   59   1HD1  LEU   7          1HD1      LEU   7  -1.228  -1.303  -6.336
   60   2HD1  LEU   7          2HD1      LEU   7  -1.647  -0.242  -7.682
   61   3HD1  LEU   7          3HD1      LEU   7  -0.802  -1.761  -7.984
   62   1HD2  LEU   7          1HD2      LEU   7  -1.965  -2.932  -9.202
   63   2HD2  LEU   7          2HD2      LEU   7  -3.441  -2.044  -9.579
   64   3HD2  LEU   7          3HD2      LEU   7  -3.534  -3.599  -8.754
   65    H    LYS   8           H        LYS   8  -4.396  -5.581  -7.421
   66    HA   LYS   8           HA       LYS   8  -5.257  -7.312  -5.291
   67   1HB   LYS   8          2HB       LYS   8  -4.444  -7.695  -8.148
   68   2HB   LYS   8          1HB       LYS   8  -4.531  -9.089  -7.080
   69   1HG   LYS   8          2HG       LYS   8  -6.817  -8.921  -6.824
   70   2HG   LYS   8          1HG       LYS   8  -6.845  -7.212  -7.266
   71   1HD   LYS   8          2HD       LYS   8  -6.015  -8.071  -9.578
   72   2HD   LYS   8          1HD       LYS   8  -6.648  -9.625  -9.027
   73   1HE   LYS   8          2HE       LYS   8  -8.798  -8.956  -9.194
   74   2HE   LYS   8          1HE       LYS   8  -8.439  -7.317  -8.653
   75   1HZ   LYS   8          1HZ       LYS   8  -9.165  -7.715 -11.079
   76   2HZ   LYS   8          2HZ       LYS   8  -7.566  -8.213 -11.319
   77   3HZ   LYS   8          3HZ       LYS   8  -7.890  -6.645 -10.774
   78    H    VAL   9           H        VAL   9  -2.222  -6.793  -7.065
   79    HA   VAL   9           HA       VAL   9  -0.816  -8.497  -5.147
   80    HB   VAL   9           HB       VAL   9  -0.380  -8.856  -7.550
   81   1HG1  VAL   9          1HG1      VAL   9   0.840  -6.099  -7.487
   82   2HG1  VAL   9          2HG1      VAL   9  -0.668  -6.533  -8.292
   83   3HG1  VAL   9          3HG1      VAL   9   0.858  -7.219  -8.847
   84   1HG2  VAL   9          1HG2      VAL   9   2.190  -7.776  -6.536
   85   2HG2  VAL   9          2HG2      VAL   9   1.817  -9.353  -7.233
   86   3HG2  VAL   9          3HG2      VAL   9   1.376  -9.001  -5.562
   87    H    CYS  10           H        CYS  10  -1.789  -6.075  -4.132
   88    HA   CYS  10           HA       CYS  10   0.725  -4.823  -3.347
   89   1HB   CYS  10          2HB       CYS  10  -0.625  -3.581  -5.283
   90   2HB   CYS  10          1HB       CYS  10  -1.527  -2.957  -3.906
   91    H    ALA  11           H        ALA  11  -2.806  -4.528  -2.926
   92    HA   ALA  11           HA       ALA  11  -2.560  -3.775  -0.175
   93   1HB   ALA  11          1HB       ALA  11  -4.503  -3.446  -2.026
   94   2HB   ALA  11          2HB       ALA  11  -4.753  -3.280  -0.289
   95   3HB   ALA  11          3HB       ALA  11  -5.160  -4.794  -1.098
   96    H    ALA  12           H        ALA  12  -3.690  -6.706  -1.845
   97    HA   ALA  12           HA       ALA  12  -3.882  -8.157   0.655
   98   1HB   ALA  12          1HB       ALA  12  -5.055  -9.747  -0.486
   99   2HB   ALA  12          2HB       ALA  12  -4.127  -9.528  -1.970
  100   3HB   ALA  12          3HB       ALA  12  -5.360  -8.351  -1.520
  101    H    ALA  13           H        ALA  13  -1.233  -7.232  -0.027
  102    HA   ALA  13           HA       ALA  13   0.181  -9.654  -0.831
  103   1HB   ALA  13          1HB       ALA  13   1.565  -7.107  -0.116
  104   2HB   ALA  13          2HB       ALA  13   0.687  -7.231  -1.641
  105   3HB   ALA  13          3HB       ALA  13   2.016  -8.339  -1.295
  106    H    ALA  14           H        ALA  14  -1.031  -8.488   1.983
  107    HA   ALA  14           HA       ALA  14  -0.637  -8.875   4.188
  108   1HB   ALA  14          1HB       ALA  14   1.368 -10.983   3.664
  109   2HB   ALA  14          2HB       ALA  14  -0.232 -11.222   2.962
  110   3HB   ALA  14          3HB       ALA  14  -0.056 -11.002   4.704
  111    H    ASN  15           H        ASN  15   1.060  -6.973   2.760
  112    HA   ASN  15           HA       ASN  15   3.103  -6.696   4.792
  113   1HB   ASN  15          2HB       ASN  15   3.856  -7.988   2.500
  114   2HB   ASN  15          1HB       ASN  15   4.243  -6.315   2.104
  115   1HD2  ASN  15          1HD2      ASN  15   6.333  -6.039   2.380
  116   2HD2  ASN  15          2HD2      ASN  15   7.257  -6.562   3.742
  117    H    VAL  16           H        VAL  16   2.797  -4.687   5.468
  118    HA   VAL  16           HA       VAL  16   1.581  -2.676   3.837
  119    HB   VAL  16           HB       VAL  16   2.966  -2.244   6.483
  120   1HG1  VAL  16          1HG1      VAL  16   0.899  -0.733   4.912
  121   2HG1  VAL  16          2HG1      VAL  16   2.455  -0.168   5.519
  122   3HG1  VAL  16          3HG1      VAL  16   1.131  -0.479   6.641
  123   1HG2  VAL  16          1HG2      VAL  16   0.494  -3.687   5.852
  124   2HG2  VAL  16          2HG2      VAL  16   0.311  -2.432   7.077
  125   3HG2  VAL  16          3HG2      VAL  16   1.491  -3.722   7.306
  126    H    ALA  17           H        ALA  17   4.856  -3.433   4.851
  127    HA   ALA  17           HA       ALA  17   6.065  -1.004   4.078
  128   1HB   ALA  17          1HB       ALA  17   7.069  -3.770   4.591
  129   2HB   ALA  17          2HB       ALA  17   7.400  -2.276   5.466
  130   3HB   ALA  17          3HB       ALA  17   8.146  -2.560   3.894
  131    H    ALA  18           H        ALA  18   5.779  -4.119   2.370
  132    HA   ALA  18           HA       ALA  18   7.104  -3.419   0.030
  133   1HB   ALA  18          1HB       ALA  18   5.704  -5.196  -1.048
  134   2HB   ALA  18          2HB       ALA  18   4.814  -5.325   0.468
  135   3HB   ALA  18          3HB       ALA  18   6.536  -5.701   0.423
  136    H    HIS  19           H        HIS  19   3.763  -2.854   0.992
  137    HA   HIS  19           HA       HIS  19   2.962  -1.804  -1.549
  138   1HB   HIS  19          2HB       HIS  19   1.117  -2.599  -0.429
  139   2HB   HIS  19          1HB       HIS  19   1.722  -2.102   1.146
  140    HD2  HIS  19           2HD      HIS  19   0.647   0.172   2.114
  141    HE1  HIS  19           1HE      HIS  19  -1.141   1.474  -1.486
  142    HE2  HIS  19           2HE      HIS  19  -0.761   2.015   0.961
  143    H    MET  20           H        MET  20   3.355  -0.259   1.648
  144    HA   MET  20           HA       MET  20   3.057   2.364   0.933
  145   1HB   MET  20          2HB       MET  20   4.675   1.004   3.044
  146   2HB   MET  20          1HB       MET  20   4.876   2.735   2.810
  147   1HG   MET  20          2HG       MET  20   2.218   2.646   2.912
  148   2HG   MET  20          1HG       MET  20   2.577   1.212   3.874
  149   1HE   MET  20          1HE       MET  20   4.619   1.457   5.886
  150   2HE   MET  20          2HE       MET  20   5.189   3.046   6.395
  151   3HE   MET  20          3HE       MET  20   5.553   2.457   4.773
  152    H    THR  21           H        THR  21   6.055   0.462   0.753
  153    HA   THR  21           HA       THR  21   7.787   2.501  -0.014
  154    HB   THR  21           HB       THR  21   8.494   0.214   0.625
  155    HG1  THR  21           1HG      THR  21  10.206   0.154  -0.794
  156   1HG2  THR  21          1HG2      THR  21   6.973  -0.523  -1.744
  157   2HG2  THR  21          2HG2      THR  21   7.483  -1.499  -0.366
  158   3HG2  THR  21          3HG2      THR  21   8.598  -1.207  -1.701
  159    H    HIS  22           H        HIS  22   5.305   0.911  -1.811
  160    HA   HIS  22           HA       HIS  22   6.171   2.292  -4.243
  161   1HB   HIS  22          2HB       HIS  22   6.103   0.280  -5.233
  162   2HB   HIS  22          1HB       HIS  22   5.432  -0.457  -3.787
  163    HD1  HIS  22           1HD      HIS  22   4.706  -0.154  -7.198
  164    HD2  HIS  22           2HD      HIS  22   2.394   0.240  -3.755
  165    HE1  HIS  22           1HE      HIS  22   2.326  -0.465  -7.944
  166    HE2  HIS  22           2HE      HIS  22   0.945  -0.153  -5.861
  167    H    CYS  23           H        CYS  23   4.097   2.623  -1.808
  168    HA   CYS  23           HA       CYS  23   2.128   4.000  -3.465
  169   1HB   CYS  23          2HB       CYS  23   1.704   1.655  -1.720
  170   2HB   CYS  23          1HB       CYS  23   0.534   2.945  -1.541
  171    H    ALA  24           H        ALA  24   3.246   5.887  -2.662
  172    HA   ALA  24           HA       ALA  24   3.393   6.438   0.139
  173   1HB   ALA  24          1HB       ALA  24   4.672   7.444  -2.006
  174   2HB   ALA  24          2HB       ALA  24   4.579   8.266  -0.448
  175   3HB   ALA  24          3HB       ALA  24   3.467   8.705  -1.744
  176    H    LYS  25           H        LYS  25   2.433   8.649   0.890
  177    HA   LYS  25           HA       LYS  25  -0.344   8.902  -0.034
  178   1HB   LYS  25          2HB       LYS  25  -0.286   7.491   2.000
  179   2HB   LYS  25          1HB       LYS  25   0.510   8.799   2.864
  180   1HG   LYS  25          2HG       LYS  25  -2.079   9.383   1.536
  181   2HG   LYS  25          1HG       LYS  25  -2.095   8.410   3.009
  182   1HD   LYS  25          2HD       LYS  25  -0.676  10.230   4.059
  183   2HD   LYS  25          1HD       LYS  25  -1.054  11.210   2.640
  184   1HE   LYS  25          2HE       LYS  25  -2.934  10.137   4.726
  185   2HE   LYS  25          1HE       LYS  25  -2.631  11.817   4.288
  186   1HZ   LYS  25          1HZ       LYS  25  -4.649  11.313   3.283
  187   2HZ   LYS  25          2HZ       LYS  25  -4.150   9.773   2.794
  188   3HZ   LYS  25          3HZ       LYS  25  -3.538  11.146   2.017
  Start of MODEL   16
    1   1H    ARG   1          1HT       ARG   1  -1.028   1.408   8.196
    2   2H    ARG   1          2HT       ARG   1   0.060   0.104   8.435
    3   3H    ARG   1          3HT       ARG   1  -1.046   0.538   9.672
    4    HA   ARG   1           HA       ARG   1  -1.754  -1.423   8.545
    5   1HB   ARG   1          2HB       ARG   1  -3.222   0.734   9.250
    6   2HB   ARG   1          1HB       ARG   1  -3.655   0.622   7.549
    7   1HG   ARG   1          2HG       ARG   1  -5.249  -0.755   8.318
    8   2HG   ARG   1          1HG       ARG   1  -3.953  -1.952   8.280
    9   1HD   ARG   1          2HD       ARG   1  -3.745  -1.999  10.541
   10   2HD   ARG   1          1HD       ARG   1  -4.176  -0.299  10.724
   11    HE   ARG   1           HE       ARG   1  -6.454  -1.669   9.890
   12   1HH1  ARG   1          1HH1      ARG   1  -4.336  -1.554  12.659
   13   2HH1  ARG   1          2HH1      ARG   1  -5.570  -2.017  13.781
   14   1HH2  ARG   1          1HH2      ARG   1  -8.081  -2.278  11.363
   15   2HH2  ARG   1          2HH2      ARG   1  -7.697  -2.429  13.046
   16    H    VAL   2           H        VAL   2  -2.980  -2.150   6.544
   17    HA   VAL   2           HA       VAL   2  -1.927  -0.937   4.090
   18    HB   VAL   2           HB       VAL   2  -0.407  -2.776   4.655
   19   1HG1  VAL   2          1HG1      VAL   2  -2.959  -4.279   4.921
   20   2HG1  VAL   2          2HG1      VAL   2  -1.494  -4.352   5.900
   21   3HG1  VAL   2          3HG1      VAL   2  -1.539  -5.136   4.320
   22   1HG2  VAL   2          1HG2      VAL   2  -1.991  -2.617   2.226
   23   2HG2  VAL   2          2HG2      VAL   2  -1.322  -4.228   2.486
   24   3HG2  VAL   2          3HG2      VAL   2  -0.253  -2.827   2.431
   25    H    ILE   3           H        ILE   3  -4.443  -0.466   4.837
   26    HA   ILE   3           HA       ILE   3  -6.037  -2.234   3.099
   27    HB   ILE   3           HB       ILE   3  -6.636  -2.548   5.475
   28   1HG1  ILE   3          2HG1      ILE   3  -9.014  -1.133   4.429
   29   2HG1  ILE   3          1HG1      ILE   3  -8.302  -2.328   3.349
   30   1HG2  ILE   3          1HG2      ILE   3  -6.584   0.340   5.461
   31   2HG2  ILE   3          2HG2      ILE   3  -6.578  -0.781   6.821
   32   3HG2  ILE   3          3HG2      ILE   3  -8.106  -0.275   6.104
   33   1HD1  ILE   3          1HD1      ILE   3  -9.918  -2.699   5.709
   34   2HD1  ILE   3          2HD1      ILE   3  -8.407  -3.604   5.803
   35   3HD1  ILE   3          3HD1      ILE   3  -9.495  -3.844   4.436
   36    H    ALA   4           H        ALA   4  -4.636   0.141   2.321
   37    HA   ALA   4           HA       ALA   4  -6.929   1.817   1.553
   38   1HB   ALA   4          1HB       ALA   4  -4.232   2.697   2.533
   39   2HB   ALA   4          2HB       ALA   4  -5.828   3.164   3.121
   40   3HB   ALA   4          3HB       ALA   4  -5.259   3.749   1.558
   41    H    CYS   5           H        CYS   5  -5.619  -0.401   0.163
   42    HA   CYS   5           HA       CYS   5  -4.629   1.067  -2.194
   43   1HB   CYS   5          2HB       CYS   5  -2.944  -0.409  -0.962
   44   2HB   CYS   5          1HB       CYS   5  -3.889  -1.780  -1.531
   45    H    PHE   6           H        PHE   6  -5.085   0.047  -4.270
   46    HA   PHE   6           HA       PHE   6  -7.497  -1.642  -4.209
   47   1HB   PHE   6          2HB       PHE   6  -8.370  -0.415  -6.137
   48   2HB   PHE   6          1HB       PHE   6  -8.096   0.675  -4.781
   49    HD1  PHE   6           1HD      PHE   6  -7.573   0.156  -8.218
   50    HD2  PHE   6           2HD      PHE   6  -5.785   1.890  -4.768
   51    HE1  PHE   6           1HE      PHE   6  -6.192   1.594  -9.661
   52    HE2  PHE   6           2HE      PHE   6  -4.402   3.331  -6.204
   53    HZ   PHE   6           HZ       PHE   6  -4.604   3.184  -8.654
   54    H    LEU   7           H        LEU   7  -4.779  -2.507  -4.466
   55    HA   LEU   7           HA       LEU   7  -4.818  -3.518  -7.234
   56   1HB   LEU   7          2HB       LEU   7  -2.574  -2.556  -5.524
   57   2HB   LEU   7          1HB       LEU   7  -2.257  -3.858  -6.655
   58    HG   LEU   7           HG       LEU   7  -3.502  -1.266  -7.537
   59   1HD1  LEU   7          1HD1      LEU   7  -1.145  -1.182  -6.347
   60   2HD1  LEU   7          2HD1      LEU   7  -1.483  -0.245  -7.802
   61   3HD1  LEU   7          3HD1      LEU   7  -0.601  -1.767  -7.919
   62   1HD2  LEU   7          1HD2      LEU   7  -2.965  -1.946  -9.697
   63   2HD2  LEU   7          2HD2      LEU   7  -3.515  -3.433  -8.925
   64   3HD2  LEU   7          3HD2      LEU   7  -1.789  -3.134  -9.135
   65    H    LYS   8           H        LYS   8  -4.586  -5.683  -7.550
   66    HA   LYS   8           HA       LYS   8  -5.218  -7.432  -5.427
   67   1HB   LYS   8          2HB       LYS   8  -4.510  -7.730  -8.300
   68   2HB   LYS   8          1HB       LYS   8  -4.349  -9.153  -7.281
   69   1HG   LYS   8          2HG       LYS   8  -6.578  -9.393  -7.023
   70   2HG   LYS   8          1HG       LYS   8  -6.876  -7.653  -7.031
   71   1HD   LYS   8          2HD       LYS   8  -5.913  -8.770  -9.577
   72   2HD   LYS   8          1HD       LYS   8  -7.509  -9.329  -9.069
   73   1HE   LYS   8          2HE       LYS   8  -8.459  -7.305  -9.372
   74   2HE   LYS   8          1HE       LYS   8  -7.034  -6.436  -8.804
   75   1HZ   LYS   8          1HZ       LYS   8  -6.846  -7.809 -11.378
   76   2HZ   LYS   8          2HZ       LYS   8  -6.143  -6.355 -10.875
   77   3HZ   LYS   8          3HZ       LYS   8  -7.776  -6.396 -11.316
   78    H    VAL   9           H        VAL   9  -2.193  -6.897  -7.218
   79    HA   VAL   9           HA       VAL   9  -0.759  -8.581  -5.311
   80    HB   VAL   9           HB       VAL   9  -0.297  -8.882  -7.713
   81   1HG1  VAL   9          1HG1      VAL   9  -0.463  -6.182  -7.913
   82   2HG1  VAL   9          2HG1      VAL   9   0.261  -7.231  -9.132
   83   3HG1  VAL   9          3HG1      VAL   9   1.284  -6.419  -7.947
   84   1HG2  VAL   9          1HG2      VAL   9   2.253  -7.756  -6.737
   85   2HG2  VAL   9          2HG2      VAL   9   1.884  -9.365  -7.358
   86   3HG2  VAL   9          3HG2      VAL   9   1.472  -8.944  -5.695
   87    H    CYS  10           H        CYS  10  -1.729  -6.331  -4.107
   88    HA   CYS  10           HA       CYS  10   0.730  -5.018  -3.310
   89   1HB   CYS  10          2HB       CYS  10  -0.554  -3.731  -5.245
   90   2HB   CYS  10          1HB       CYS  10  -1.537  -3.168  -3.897
   91    H    ALA  11           H        ALA  11  -2.809  -4.699  -2.955
   92    HA   ALA  11           HA       ALA  11  -2.609  -4.051  -0.174
   93   1HB   ALA  11          1HB       ALA  11  -4.793  -3.518  -0.312
   94   2HB   ALA  11          2HB       ALA  11  -5.204  -4.987  -1.198
   95   3HB   ALA  11          3HB       ALA  11  -4.501  -3.611  -2.049
   96    H    ALA  12           H        ALA  12  -3.773  -6.895  -1.970
   97    HA   ALA  12           HA       ALA  12  -4.032  -8.431   0.473
   98   1HB   ALA  12          1HB       ALA  12  -5.252  -9.925  -0.730
   99   2HB   ALA  12          2HB       ALA  12  -4.266  -9.732  -2.181
  100   3HB   ALA  12          3HB       ALA  12  -5.462  -8.507  -1.759
  101    H    ALA  13           H        ALA  13  -1.355  -7.544  -0.140
  102    HA   ALA  13           HA       ALA  13  -0.010 -10.030  -0.913
  103   1HB   ALA  13          1HB       ALA  13   2.033  -8.359  -0.747
  104   2HB   ALA  13          2HB       ALA  13   0.756  -7.163  -0.968
  105   3HB   ALA  13          3HB       ALA  13   1.000  -8.425  -2.175
  106    H    ALA  14           H        ALA  14  -1.097  -8.634   1.848
  107    HA   ALA  14           HA       ALA  14  -0.630  -8.867   4.061
  108   1HB   ALA  14          1HB       ALA  14   0.853 -10.903   4.615
  109   2HB   ALA  14          2HB       ALA  14   0.779 -11.235   2.885
  110   3HB   ALA  14          3HB       ALA  14  -0.705 -11.179   3.837
  111    H    ASN  15           H        ASN  15   1.049  -7.111   2.439
  112    HA   ASN  15           HA       ASN  15   3.295  -6.904   4.301
  113   1HB   ASN  15          2HB       ASN  15   3.747  -7.967   1.853
  114   2HB   ASN  15          1HB       ASN  15   3.950  -6.256   1.488
  115   1HD2  ASN  15          1HD2      ASN  15   5.567  -8.943   2.309
  116   2HD2  ASN  15          2HD2      ASN  15   6.928  -8.251   3.115
  117    H    VAL  16           H        VAL  16   2.805  -5.037   5.274
  118    HA   VAL  16           HA       VAL  16   1.468  -2.882   3.974
  119    HB   VAL  16           HB       VAL  16   3.002  -2.746   6.569
  120   1HG1  VAL  16          1HG1      VAL  16   0.918  -1.052   5.254
  121   2HG1  VAL  16          2HG1      VAL  16   2.436  -0.571   6.011
  122   3HG1  VAL  16          3HG1      VAL  16   1.072  -1.073   7.010
  123   1HG2  VAL  16          1HG2      VAL  16   0.413  -3.054   7.310
  124   2HG2  VAL  16          2HG2      VAL  16   1.591  -4.365   7.243
  125   3HG2  VAL  16          3HG2      VAL  16   0.485  -4.103   5.894
  126    H    ALA  17           H        ALA  17   4.811  -3.343   5.108
  127    HA   ALA  17           HA       ALA  17   5.807  -0.859   4.294
  128   1HB   ALA  17          1HB       ALA  17   7.111  -3.523   4.747
  129   2HB   ALA  17          2HB       ALA  17   7.160  -2.080   5.760
  130   3HB   ALA  17          3HB       ALA  17   8.037  -2.114   4.231
  131    H    ALA  18           H        ALA  18   5.722  -3.970   2.578
  132    HA   ALA  18           HA       ALA  18   7.092  -3.202   0.276
  133   1HB   ALA  18          1HB       ALA  18   6.207  -5.527   1.051
  134   2HB   ALA  18          2HB       ALA  18   6.374  -5.178  -0.670
  135   3HB   ALA  18          3HB       ALA  18   4.788  -5.093   0.098
  136    H    HIS  19           H        HIS  19   3.714  -2.790   1.169
  137    HA   HIS  19           HA       HIS  19   2.904  -1.814  -1.396
  138   1HB   HIS  19          2HB       HIS  19   1.078  -2.673  -0.293
  139   2HB   HIS  19          1HB       HIS  19   1.640  -2.132   1.283
  140    HD2  HIS  19           2HD      HIS  19   0.473   0.121   2.205
  141    HE1  HIS  19           1HE      HIS  19  -1.345   1.280  -1.427
  142    HE2  HIS  19           2HE      HIS  19  -1.001   1.882   1.010
  143    H    MET  20           H        MET  20   3.158  -0.201   1.780
  144    HA   MET  20           HA       MET  20   2.759   2.392   1.023
  145   1HB   MET  20          2HB       MET  20   3.040   1.664   3.352
  146   2HB   MET  20          1HB       MET  20   4.759   1.423   3.071
  147   1HG   MET  20          2HG       MET  20   4.505   3.988   2.298
  148   2HG   MET  20          1HG       MET  20   3.239   3.899   3.520
  149   1HE   MET  20          1HE       MET  20   4.733   1.417   5.076
  150   2HE   MET  20          2HE       MET  20   3.935   2.640   6.065
  151   3HE   MET  20          3HE       MET  20   5.618   2.213   6.378
  152    H    THR  21           H        THR  21   5.846   0.634   0.915
  153    HA   THR  21           HA       THR  21   7.487   2.744   0.134
  154    HB   THR  21           HB       THR  21   8.300   0.510   0.828
  155    HG1  THR  21           1HG      THR  21   9.641   1.947  -0.396
  156   1HG2  THR  21          1HG2      THR  21   8.506  -0.957  -1.458
  157   2HG2  THR  21          2HG2      THR  21   6.853  -0.351  -1.548
  158   3HG2  THR  21          3HG2      THR  21   7.380  -1.270  -0.139
  159    H    HIS  22           H        HIS  22   5.122   0.987  -1.670
  160    HA   HIS  22           HA       HIS  22   5.956   2.361  -4.116
  161   1HB   HIS  22          2HB       HIS  22   5.991   0.328  -5.063
  162   2HB   HIS  22          1HB       HIS  22   5.334  -0.408  -3.609
  163    HD1  HIS  22           1HD      HIS  22   4.641  -0.209  -7.035
  164    HD2  HIS  22           2HD      HIS  22   2.267   0.151  -3.630
  165    HE1  HIS  22           1HE      HIS  22   2.287  -0.644  -7.803
  166    HE2  HIS  22           2HE      HIS  22   0.866  -0.355  -5.744
  167    H    CYS  23           H        CYS  23   3.834   2.651  -1.718
  168    HA   CYS  23           HA       CYS  23   1.829   3.901  -3.430
  169   1HB   CYS  23          2HB       CYS  23   1.489   1.577  -1.641
  170   2HB   CYS  23          1HB       CYS  23   0.258   2.816  -1.503
  171    H    ALA  24           H        ALA  24   3.971   4.917  -1.698
  172    HA   ALA  24           HA       ALA  24   3.038   5.794   0.789
  173   1HB   ALA  24          1HB       ALA  24   5.296   6.094   0.583
  174   2HB   ALA  24          2HB       ALA  24   4.741   7.737   0.263
  175   3HB   ALA  24          3HB       ALA  24   5.180   6.677  -1.076
  176    H    LYS  25           H        LYS  25   2.954   8.339   1.169
  177    HA   LYS  25           HA       LYS  25   1.046   9.482  -0.760
  178   1HB   LYS  25          2HB       LYS  25  -0.165   8.629   1.205
  179   2HB   LYS  25          1HB       LYS  25   0.843   9.615   2.254
  180   1HG   LYS  25          2HG       LYS  25  -0.093  11.521   0.618
  181   2HG   LYS  25          1HG       LYS  25  -1.434  10.376   0.544
  182   1HD   LYS  25          2HD       LYS  25  -0.230  11.520   3.064
  183   2HD   LYS  25          1HD       LYS  25  -1.749  12.031   2.326
  184   1HE   LYS  25          2HE       LYS  25  -1.254   9.183   3.146
  185   2HE   LYS  25          1HE       LYS  25  -1.878  10.385   4.276
  186   1HZ   LYS  25          1HZ       LYS  25  -3.654   9.116   3.223
  187   2HZ   LYS  25          2HZ       LYS  25  -3.147   9.637   1.696
  188   3HZ   LYS  25          3HZ       LYS  25  -3.752  10.755   2.812
  Start of MODEL   17
    1   1H    ARG   1          1HT       ARG   1  -1.577   1.896   6.586
    2   2H    ARG   1          2HT       ARG   1  -0.374   0.787   7.102
    3   3H    ARG   1          3HT       ARG   1  -1.520   1.396   8.224
    4    HA   ARG   1           HA       ARG   1  -1.951  -0.873   7.500
    5   1HB   ARG   1          2HB       ARG   1  -3.633   1.143   8.084
    6   2HB   ARG   1          1HB       ARG   1  -4.193   0.774   6.459
    7   1HG   ARG   1          2HG       ARG   1  -5.525  -0.673   7.541
    8   2HG   ARG   1          1HG       ARG   1  -4.096  -1.707   7.489
    9   1HD   ARG   1          2HD       ARG   1  -3.651  -1.437   9.708
   10   2HD   ARG   1          1HD       ARG   1  -4.329   0.189   9.756
   11    HE   ARG   1           HE       ARG   1  -6.333  -1.798   9.332
   12   1HH1  ARG   1          1HH1      ARG   1  -4.368  -0.277  11.784
   13   2HH1  ARG   1          2HH1      ARG   1  -5.489  -0.604  13.062
   14   1HH2  ARG   1          1HH2      ARG   1  -7.808  -2.228  11.012
   15   2HH2  ARG   1          2HH2      ARG   1  -7.442  -1.713  12.625
   16    H    VAL   2           H        VAL   2  -2.458  -2.306   5.862
   17    HA   VAL   2           HA       VAL   2  -1.807  -1.373   3.164
   18    HB   VAL   2           HB       VAL   2  -0.539  -3.293   4.050
   19   1HG1  VAL   2          1HG1      VAL   2  -1.639  -4.755   5.321
   20   2HG1  VAL   2          2HG1      VAL   2  -2.248  -5.452   3.821
   21   3HG1  VAL   2          3HG1      VAL   2  -3.205  -4.250   4.686
   22   1HG2  VAL   2          1HG2      VAL   2  -1.961  -3.185   1.552
   23   2HG2  VAL   2          2HG2      VAL   2  -1.684  -4.860   2.030
   24   3HG2  VAL   2          3HG2      VAL   2  -0.323  -3.747   1.885
   25    H    ILE   3           H        ILE   3  -4.342  -0.669   4.161
   26    HA   ILE   3           HA       ILE   3  -6.147  -2.425   2.633
   27    HB   ILE   3           HB       ILE   3  -6.742  -2.186   5.006
   28   1HG1  ILE   3          2HG1      ILE   3  -8.798  -0.635   3.461
   29   2HG1  ILE   3          1HG1      ILE   3  -8.440  -2.304   3.031
   30   1HG2  ILE   3          1HG2      ILE   3  -5.835   0.000   5.460
   31   2HG2  ILE   3          2HG2      ILE   3  -7.558  -0.008   5.841
   32   3HG2  ILE   3          3HG2      ILE   3  -6.987   0.745   4.352
   33   1HD1  ILE   3          1HD1      ILE   3  -9.633  -1.227   5.553
   34   2HD1  ILE   3          2HD1      ILE   3  -8.886  -2.823   5.498
   35   3HD1  ILE   3          3HD1      ILE   3 -10.263  -2.458   4.458
   36    H    ALA   4           H        ALA   4  -4.966   0.835   3.013
   37    HA   ALA   4           HA       ALA   4  -6.855   2.243   1.521
   38   1HB   ALA   4          1HB       ALA   4  -5.165   3.368   2.841
   39   2HB   ALA   4          2HB       ALA   4  -5.074   3.905   1.163
   40   3HB   ALA   4          3HB       ALA   4  -3.895   2.750   1.786
   41    H    CYS   5           H        CYS   5  -4.334   0.083   0.505
   42    HA   CYS   5           HA       CYS   5  -3.941   0.904  -2.126
   43   1HB   CYS   5          2HB       CYS   5  -2.764  -0.959  -0.746
   44   2HB   CYS   5          1HB       CYS   5  -4.027  -2.006  -1.381
   45    H    PHE   6           H        PHE   6  -5.128   0.823  -3.929
   46    HA   PHE   6           HA       PHE   6  -7.778  -0.411  -3.772
   47   1HB   PHE   6          2HB       PHE   6  -8.268   0.945  -5.801
   48   2HB   PHE   6          1HB       PHE   6  -7.779   1.921  -4.420
   49    HD1  PHE   6           1HD      PHE   6  -6.865   0.746  -7.749
   50    HD2  PHE   6           2HD      PHE   6  -5.642   3.063  -4.397
   51    HE1  PHE   6           1HE      PHE   6  -5.107   1.788  -9.118
   52    HE2  PHE   6           2HE      PHE   6  -3.881   4.111  -5.760
   53    HZ   PHE   6           HZ       PHE   6  -3.611   3.474  -8.123
   54    H    LEU   7           H        LEU   7  -5.474  -2.074  -4.104
   55    HA   LEU   7           HA       LEU   7  -6.065  -3.188  -6.764
   56   1HB   LEU   7          2HB       LEU   7  -3.358  -3.444  -5.496
   57   2HB   LEU   7          1HB       LEU   7  -3.809  -3.684  -7.172
   58    HG   LEU   7           HG       LEU   7  -3.901  -0.979  -5.853
   59   1HD1  LEU   7          1HD1      LEU   7  -1.639  -1.577  -5.645
   60   2HD1  LEU   7          2HD1      LEU   7  -1.730  -0.617  -7.122
   61   3HD1  LEU   7          3HD1      LEU   7  -1.618  -2.374  -7.218
   62   1HD2  LEU   7          1HD2      LEU   7  -3.733  -0.225  -8.214
   63   2HD2  LEU   7          2HD2      LEU   7  -5.206  -1.131  -7.863
   64   3HD2  LEU   7          3HD2      LEU   7  -3.874  -1.910  -8.720
   65    H    LYS   8           H        LYS   8  -4.416  -5.476  -6.454
   66    HA   LYS   8           HA       LYS   8  -5.565  -6.828  -4.114
   67   1HB   LYS   8          2HB       LYS   8  -5.483  -8.123  -6.835
   68   2HB   LYS   8          1HB       LYS   8  -6.310  -8.688  -5.391
   69   1HG   LYS   8          2HG       LYS   8  -7.885  -6.847  -5.542
   70   2HG   LYS   8          1HG       LYS   8  -7.031  -6.217  -6.953
   71   1HD   LYS   8          2HD       LYS   8  -7.505  -8.779  -7.724
   72   2HD   LYS   8          1HD       LYS   8  -8.925  -8.454  -6.728
   73   1HE   LYS   8          2HE       LYS   8  -9.749  -6.907  -8.167
   74   2HE   LYS   8          1HE       LYS   8  -8.149  -6.344  -8.646
   75   1HZ   LYS   8          1HZ       LYS   8  -9.108  -9.006  -9.477
   76   2HZ   LYS   8          2HZ       LYS   8  -7.929  -8.028 -10.195
   77   3HZ   LYS   8          3HZ       LYS   8  -9.564  -7.623 -10.340
   78    H    VAL   9           H        VAL   9  -3.254  -7.047  -6.804
   79    HA   VAL   9           HA       VAL   9  -1.700  -9.123  -5.664
   80    HB   VAL   9           HB       VAL   9  -1.627  -8.603  -8.063
   81   1HG1  VAL   9          1HG1      VAL   9   0.145  -6.263  -7.596
   82   2HG1  VAL   9          2HG1      VAL   9  -1.599  -6.032  -7.460
   83   3HG1  VAL   9          3HG1      VAL   9  -0.904  -6.635  -8.965
   84   1HG2  VAL   9          1HG2      VAL   9   1.166  -8.061  -7.291
   85   2HG2  VAL   9          2HG2      VAL   9   0.491  -9.350  -8.288
   86   3HG2  VAL   9          3HG2      VAL   9   0.414  -9.463  -6.530
   87    H    CYS  10           H        CYS  10  -1.720  -5.658  -5.297
   88    HA   CYS  10           HA       CYS  10   0.824  -5.645  -3.886
   89   1HB   CYS  10          2HB       CYS  10   0.237  -3.794  -5.428
   90   2HB   CYS  10          1HB       CYS  10  -1.119  -3.379  -4.384
   91    H    ALA  11           H        ALA  11  -2.564  -4.789  -3.189
   92    HA   ALA  11           HA       ALA  11  -2.191  -4.323  -0.438
   93   1HB   ALA  11          1HB       ALA  11  -4.404  -3.887  -0.386
   94   2HB   ALA  11          2HB       ALA  11  -4.823  -5.341  -1.291
   95   3HB   ALA  11          3HB       ALA  11  -4.232  -3.913  -2.141
   96    H    ALA  12           H        ALA  12  -3.195  -7.218  -2.220
   97    HA   ALA  12           HA       ALA  12  -3.375  -8.782   0.212
   98   1HB   ALA  12          1HB       ALA  12  -4.516 -10.305  -1.000
   99   2HB   ALA  12          2HB       ALA  12  -3.453 -10.150  -2.399
  100   3HB   ALA  12          3HB       ALA  12  -4.710  -8.947  -2.110
  101    H    ALA  13           H        ALA  13  -0.765  -7.687  -0.351
  102    HA   ALA  13           HA       ALA  13   0.795 -10.020  -1.174
  103   1HB   ALA  13          1HB       ALA  13   2.169  -7.516  -0.424
  104   2HB   ALA  13          2HB       ALA  13   1.131  -7.451  -1.847
  105   3HB   ALA  13          3HB       ALA  13   2.457  -8.611  -1.776
  106    H    ALA  14           H        ALA  14  -0.517  -8.925   1.623
  107    HA   ALA  14           HA       ALA  14  -0.130  -9.294   3.833
  108   1HB   ALA  14          1HB       ALA  14   1.637 -11.226   4.213
  109   2HB   ALA  14          2HB       ALA  14   1.375 -11.472   2.487
  110   3HB   ALA  14          3HB       ALA  14   0.015 -11.558   3.606
  111    H    ASN  15           H        ASN  15   1.348  -7.203   2.590
  112    HA   ASN  15           HA       ASN  15   3.483  -6.949   4.542
  113   1HB   ASN  15          2HB       ASN  15   4.208  -7.867   2.093
  114   2HB   ASN  15          1HB       ASN  15   4.323  -6.129   1.828
  115   1HD2  ASN  15          1HD2      ASN  15   6.158  -8.631   2.442
  116   2HD2  ASN  15          2HD2      ASN  15   7.352  -7.940   3.482
  117    H    VAL  16           H        VAL  16   2.891  -5.130   5.524
  118    HA   VAL  16           HA       VAL  16   1.439  -3.048   4.206
  119    HB   VAL  16           HB       VAL  16   2.798  -2.890   6.895
  120   1HG1  VAL  16          1HG1      VAL  16   0.240  -1.527   6.324
  121   2HG1  VAL  16          2HG1      VAL  16   1.674  -0.884   5.523
  122   3HG1  VAL  16          3HG1      VAL  16   1.621  -0.996   7.282
  123   1HG2  VAL  16          1HG2      VAL  16   0.153  -4.081   6.110
  124   2HG2  VAL  16          2HG2      VAL  16   0.483  -3.516   7.748
  125   3HG2  VAL  16          3HG2      VAL  16   1.452  -4.813   7.051
  126    H    ALA  17           H        ALA  17   4.758  -3.385   5.417
  127    HA   ALA  17           HA       ALA  17   5.601  -0.775   4.752
  128   1HB   ALA  17          1HB       ALA  17   6.921  -3.310   5.517
  129   2HB   ALA  17          2HB       ALA  17   7.097  -1.689   6.190
  130   3HB   ALA  17          3HB       ALA  17   7.916  -2.113   4.686
  131    H    ALA  18           H        ALA  18   5.890  -3.864   3.015
  132    HA   ALA  18           HA       ALA  18   7.325  -2.935   0.808
  133   1HB   ALA  18          1HB       ALA  18   6.923  -4.977  -0.151
  134   2HB   ALA  18          2HB       ALA  18   5.261  -5.049   0.433
  135   3HB   ALA  18          3HB       ALA  18   6.599  -5.351   1.541
  136    H    HIS  19           H        HIS  19   3.926  -2.726   1.583
  137    HA   HIS  19           HA       HIS  19   3.089  -1.949  -1.042
  138   1HB   HIS  19          2HB       HIS  19   1.308  -2.844   0.110
  139   2HB   HIS  19          1HB       HIS  19   1.815  -2.155   1.647
  140    HD2  HIS  19           2HD      HIS  19   0.493   0.074   2.391
  141    HE1  HIS  19           1HE      HIS  19  -1.309   0.875  -1.346
  142    HE2  HIS  19           2HE      HIS  19  -1.053   1.662   1.050
  143    H    MET  20           H        MET  20   3.172  -0.127   2.029
  144    HA   MET  20           HA       MET  20   2.661   2.386   1.106
  145   1HB   MET  20          2HB       MET  20   2.941   1.803   3.483
  146   2HB   MET  20          1HB       MET  20   4.677   1.671   3.242
  147   1HG   MET  20          2HG       MET  20   4.269   4.160   2.316
  148   2HG   MET  20          1HG       MET  20   2.975   4.056   3.509
  149   1HE   MET  20          1HE       MET  20   4.306   6.218   4.501
  150   2HE   MET  20          2HE       MET  20   5.716   6.025   3.460
  151   3HE   MET  20          3HE       MET  20   5.919   6.121   5.209
  152    H    THR  21           H        THR  21   5.843   0.801   1.167
  153    HA   THR  21           HA       THR  21   7.380   2.948   0.281
  154    HB   THR  21           HB       THR  21   8.321   0.836   1.138
  155    HG1  THR  21           1HG      THR  21  10.040   0.764  -0.309
  156   1HG2  THR  21          1HG2      THR  21   7.070  -0.281  -1.294
  157   2HG2  THR  21          2HG2      THR  21   7.314  -1.002   0.297
  158   3HG2  THR  21          3HG2      THR  21   8.659  -0.894  -0.839
  159    H    HIS  22           H        HIS  22   5.175   0.923  -1.450
  160    HA   HIS  22           HA       HIS  22   5.981   2.182  -3.966
  161   1HB   HIS  22          2HB       HIS  22   6.148   0.095  -4.771
  162   2HB   HIS  22          1HB       HIS  22   5.501  -0.576  -3.283
  163    HD1  HIS  22           1HD      HIS  22   4.872  -0.652  -6.725
  164    HD2  HIS  22           2HD      HIS  22   2.410  -0.193  -3.396
  165    HE1  HIS  22           1HE      HIS  22   2.564  -1.269  -7.503
  166    HE2  HIS  22           2HE      HIS  22   1.085  -0.920  -5.496
  167    H    CYS  23           H        CYS  23   3.794   2.515  -1.635
  168    HA   CYS  23           HA       CYS  23   1.762   3.532  -3.465
  169   1HB   CYS  23          2HB       CYS  23   1.511   1.319  -1.526
  170   2HB   CYS  23          1HB       CYS  23   0.210   2.491  -1.498
  171    H    ALA  24           H        ALA  24   3.727   4.928  -1.951
  172    HA   ALA  24           HA       ALA  24   2.879   5.859   0.538
  173   1HB   ALA  24          1HB       ALA  24   5.119   6.229  -0.578
  174   2HB   ALA  24          2HB       ALA  24   4.445   7.610   0.286
  175   3HB   ALA  24          3HB       ALA  24   4.353   7.541  -1.474
  176    H    LYS  25           H        LYS  25   2.125   8.101   1.022
  177    HA   LYS  25           HA       LYS  25   0.116   9.001  -0.936
  178   1HB   LYS  25          2HB       LYS  25  -0.974   7.817   0.914
  179   2HB   LYS  25          1HB       LYS  25  -0.185   8.881   2.070
  180   1HG   LYS  25          2HG       LYS  25  -1.787  10.203  -0.021
  181   2HG   LYS  25          1HG       LYS  25  -2.680   9.252   1.168
  182   1HD   LYS  25          2HD       LYS  25  -0.946  10.620   2.760
  183   2HD   LYS  25          1HD       LYS  25  -1.239  11.792   1.474
  184   1HE   LYS  25          2HE       LYS  25  -3.350  10.400   3.119
  185   2HE   LYS  25          1HE       LYS  25  -2.822  12.070   3.317
  186   1HZ   LYS  25          1HZ       LYS  25  -4.928  11.509   1.921
  187   2HZ   LYS  25          2HZ       LYS  25  -3.807  11.192   0.694
  188   3HZ   LYS  25          3HZ       LYS  25  -3.870  12.725   1.407
  Start of MODEL   18
    1   1H    ARG   1          1HT       ARG   1  -0.609  -0.030   7.456
    2   2H    ARG   1          2HT       ARG   1  -1.458   0.137   8.937
    3   3H    ARG   1          3HT       ARG   1  -1.734   1.248   7.658
    4    HA   ARG   1           HA       ARG   1  -2.472  -1.589   7.815
    5   1HB   ARG   1          2HB       ARG   1  -3.774   0.621   8.668
    6   2HB   ARG   1          1HB       ARG   1  -4.325   0.575   6.999
    7   1HG   ARG   1          2HG       ARG   1  -5.931  -0.748   7.827
    8   2HG   ARG   1          1HG       ARG   1  -4.697  -2.003   7.709
    9   1HD   ARG   1          2HD       ARG   1  -4.038  -1.181  10.096
   10   2HD   ARG   1          1HD       ARG   1  -5.672  -0.519  10.112
   11    HE   ARG   1           HE       ARG   1  -6.499  -2.645  10.316
   12   1HH1  ARG   1          1HH1      ARG   1  -3.149  -2.819   9.352
   13   2HH1  ARG   1          2HH1      ARG   1  -3.046  -4.534   9.569
   14   1HH2  ARG   1          1HH2      ARG   1  -6.364  -4.901  10.602
   15   2HH2  ARG   1          2HH2      ARG   1  -4.871  -5.716  10.278
   16    H    VAL   2           H        VAL   2  -2.354  -2.706   5.987
   17    HA   VAL   2           HA       VAL   2  -1.953  -1.288   3.465
   18    HB   VAL   2           HB       VAL   2  -0.382  -3.094   4.042
   19   1HG1  VAL   2          1HG1      VAL   2  -2.860  -4.553   4.509
   20   2HG1  VAL   2          2HG1      VAL   2  -1.231  -4.859   5.111
   21   3HG1  VAL   2          3HG1      VAL   2  -1.706  -5.445   3.518
   22   1HG2  VAL   2          1HG2      VAL   2  -1.265  -4.522   1.828
   23   2HG2  VAL   2          2HG2      VAL   2  -0.184  -3.128   1.824
   24   3HG2  VAL   2          3HG2      VAL   2  -1.917  -2.900   1.595
   25    H    ILE   3           H        ILE   3  -4.514  -1.010   4.392
   26    HA   ILE   3           HA       ILE   3  -6.084  -2.864   2.726
   27    HB   ILE   3           HB       ILE   3  -6.714  -2.885   5.100
   28   1HG1  ILE   3          2HG1      ILE   3  -8.946  -1.476   3.671
   29   2HG1  ILE   3          1HG1      ILE   3  -8.379  -3.039   3.092
   30   1HG2  ILE   3          1HG2      ILE   3  -7.322   0.037   4.674
   31   2HG2  ILE   3          2HG2      ILE   3  -6.080  -0.641   5.725
   32   3HG2  ILE   3          3HG2      ILE   3  -7.785  -0.897   6.097
   33   1HD1  ILE   3          1HD1      ILE   3  -9.595  -2.391   5.758
   34   2HD1  ILE   3          2HD1      ILE   3  -8.791  -3.920   5.406
   35   3HD1  ILE   3          3HD1      ILE   3 -10.229  -3.448   4.498
   36    H    ALA   4           H        ALA   4  -5.316   0.478   3.356
   37    HA   ALA   4           HA       ALA   4  -7.366   1.746   1.952
   38   1HB   ALA   4          1HB       ALA   4  -4.640   2.904   1.790
   39   2HB   ALA   4          2HB       ALA   4  -5.326   2.649   3.395
   40   3HB   ALA   4          3HB       ALA   4  -6.171   3.663   2.225
   41    H    CYS   5           H        CYS   5  -4.537   0.062   0.813
   42    HA   CYS   5           HA       CYS   5  -4.320   1.119  -1.761
   43   1HB   CYS   5          2HB       CYS   5  -2.735  -0.491  -0.581
   44   2HB   CYS   5          1HB       CYS   5  -3.830  -1.777  -1.075
   45    H    PHE   6           H        PHE   6  -4.930   0.112  -3.810
   46    HA   PHE   6           HA       PHE   6  -7.430  -1.426  -3.673
   47   1HB   PHE   6          2HB       PHE   6  -8.153  -0.010  -5.710
   48   2HB   PHE   6          1HB       PHE   6  -8.278   0.713  -4.110
   49    HD1  PHE   6           1HD      PHE   6  -5.658   0.360  -6.752
   50    HD2  PHE   6           2HD      PHE   6  -7.653   2.906  -3.986
   51    HE1  PHE   6           1HE      PHE   6  -4.275   2.251  -7.502
   52    HE2  PHE   6           2HE      PHE   6  -6.275   4.803  -4.733
   53    HZ   PHE   6           HZ       PHE   6  -4.583   4.477  -6.494
   54    H    LEU   7           H        LEU   7  -4.751  -2.323  -4.188
   55    HA   LEU   7           HA       LEU   7  -5.021  -3.153  -7.004
   56   1HB   LEU   7          2HB       LEU   7  -2.568  -2.548  -5.374
   57   2HB   LEU   7          1HB       LEU   7  -2.486  -3.541  -6.817
   58    HG   LEU   7           HG       LEU   7  -3.764  -0.853  -7.015
   59   1HD1  LEU   7          1HD1      LEU   7  -1.790  -0.257  -5.847
   60   2HD1  LEU   7          2HD1      LEU   7  -1.486   0.069  -7.552
   61   3HD1  LEU   7          3HD1      LEU   7  -0.809  -1.373  -6.796
   62   1HD2  LEU   7          1HD2      LEU   7  -1.868  -1.906  -9.014
   63   2HD2  LEU   7          2HD2      LEU   7  -3.422  -1.104  -9.233
   64   3HD2  LEU   7          3HD2      LEU   7  -3.364  -2.814  -8.807
   65    H    LYS   8           H        LYS   8  -4.556  -5.307  -7.519
   66    HA   LYS   8           HA       LYS   8  -5.285  -7.208  -5.557
   67   1HB   LYS   8          2HB       LYS   8  -4.406  -7.301  -8.399
   68   2HB   LYS   8          1HB       LYS   8  -4.294  -8.788  -7.467
   69   1HG   LYS   8          2HG       LYS   8  -6.671  -8.647  -6.941
   70   2HG   LYS   8          1HG       LYS   8  -6.787  -7.143  -7.857
   71   1HD   LYS   8          2HD       LYS   8  -5.670  -9.551  -9.208
   72   2HD   LYS   8          1HD       LYS   8  -7.413  -9.468  -8.942
   73   1HE   LYS   8          2HE       LYS   8  -6.059  -7.086 -10.094
   74   2HE   LYS   8          1HE       LYS   8  -6.275  -8.496 -11.131
   75   1HZ   LYS   8          1HZ       LYS   8  -8.153  -7.115 -11.423
   76   2HZ   LYS   8          2HZ       LYS   8  -8.382  -6.928  -9.758
   77   3HZ   LYS   8          3HZ       LYS   8  -8.674  -8.426 -10.488
   78    H    VAL   9           H        VAL   9  -2.214  -6.882  -7.347
   79    HA   VAL   9           HA       VAL   9  -0.855  -8.500  -5.361
   80    HB   VAL   9           HB       VAL   9  -0.327  -8.810  -7.740
   81   1HG1  VAL   9          1HG1      VAL   9   0.059  -5.913  -7.617
   82   2HG1  VAL   9          2HG1      VAL   9  -0.338  -6.949  -8.986
   83   3HG1  VAL   9          3HG1      VAL   9   1.339  -6.774  -8.470
   84   1HG2  VAL   9          1HG2      VAL   9   2.280  -8.111  -7.329
   85   2HG2  VAL   9          2HG2      VAL   9   1.518  -9.585  -6.729
   86   3HG2  VAL   9          3HG2      VAL   9   1.654  -8.174  -5.681
   87    H    CYS  10           H        CYS  10  -1.674  -6.464  -3.949
   88    HA   CYS  10           HA       CYS  10   0.747  -5.132  -3.170
   89   1HB   CYS  10          2HB       CYS  10  -0.482  -3.766  -5.082
   90   2HB   CYS  10          1HB       CYS  10  -1.484  -3.230  -3.736
   91    H    ALA  11           H        ALA  11  -2.784  -4.716  -2.845
   92    HA   ALA  11           HA       ALA  11  -2.596  -4.182  -0.038
   93   1HB   ALA  11          1HB       ALA  11  -4.426  -3.532  -1.866
   94   2HB   ALA  11          2HB       ALA  11  -4.794  -3.633  -0.144
   95   3HB   ALA  11          3HB       ALA  11  -5.194  -4.979  -1.212
   96    H    ALA  12           H        ALA  12  -3.663  -6.943  -1.993
   97    HA   ALA  12           HA       ALA  12  -4.152  -8.556   0.363
   98   1HB   ALA  12          1HB       ALA  12  -4.938 -10.240  -1.142
   99   2HB   ALA  12          2HB       ALA  12  -4.222  -9.411  -2.523
  100   3HB   ALA  12          3HB       ALA  12  -5.584  -8.686  -1.669
  101    H    ALA  13           H        ALA  13  -1.430  -7.653   0.038
  102    HA   ALA  13           HA       ALA  13  -0.036 -10.154  -0.616
  103   1HB   ALA  13          1HB       ALA  13   1.395  -7.577  -0.145
  104   2HB   ALA  13          2HB       ALA  13   0.556  -7.848  -1.673
  105   3HB   ALA  13          3HB       ALA  13   1.844  -8.943  -1.168
  106    H    ALA  14           H        ALA  14  -1.296  -8.664   2.017
  107    HA   ALA  14           HA       ALA  14  -0.976  -8.832   4.262
  108   1HB   ALA  14          1HB       ALA  14  -0.454 -10.898   5.002
  109   2HB   ALA  14          2HB       ALA  14   1.035 -10.978   4.060
  110   3HB   ALA  14          3HB       ALA  14  -0.517 -11.296   3.285
  111    H    ASN  15           H        ASN  15   0.792  -7.112   2.671
  112    HA   ASN  15           HA       ASN  15   2.996  -6.909   4.608
  113   1HB   ASN  15          2HB       ASN  15   3.165  -7.262   1.723
  114   2HB   ASN  15          1HB       ASN  15   4.002  -5.809   2.257
  115   1HD2  ASN  15          1HD2      ASN  15   4.710  -8.695   1.357
  116   2HD2  ASN  15          2HD2      ASN  15   5.946  -9.146   2.476
  117    H    VAL  16           H        VAL  16   3.827  -4.761   4.921
  118    HA   VAL  16           HA       VAL  16   1.886  -2.665   4.188
  119    HB   VAL  16           HB       VAL  16   3.601  -2.713   6.674
  120   1HG1  VAL  16          1HG1      VAL  16   1.194  -1.002   6.115
  121   2HG1  VAL  16          2HG1      VAL  16   2.830  -0.498   5.694
  122   3HG1  VAL  16          3HG1      VAL  16   2.410  -0.808   7.378
  123   1HG2  VAL  16          1HG2      VAL  16   0.684  -2.983   6.934
  124   2HG2  VAL  16          2HG2      VAL  16   1.983  -3.762   7.837
  125   3HG2  VAL  16          3HG2      VAL  16   1.512  -4.384   6.255
  126    H    ALA  17           H        ALA  17   5.294  -3.246   5.032
  127    HA   ALA  17           HA       ALA  17   6.244  -0.724   4.208
  128   1HB   ALA  17          1HB       ALA  17   8.438  -2.229   3.934
  129   2HB   ALA  17          2HB       ALA  17   7.456  -3.332   4.897
  130   3HB   ALA  17          3HB       ALA  17   7.817  -1.716   5.502
  131    H    ALA  18           H        ALA  18   6.115  -3.855   2.530
  132    HA   ALA  18           HA       ALA  18   7.375  -3.083   0.162
  133   1HB   ALA  18          1HB       ALA  18   6.291  -5.010  -0.861
  134   2HB   ALA  18          2HB       ALA  18   5.180  -5.123   0.503
  135   3HB   ALA  18          3HB       ALA  18   6.902  -5.414   0.744
  136    H    HIS  19           H        HIS  19   4.053  -2.699   1.229
  137    HA   HIS  19           HA       HIS  19   3.073  -1.814  -1.312
  138   1HB   HIS  19          2HB       HIS  19   1.333  -2.660  -0.068
  139   2HB   HIS  19          1HB       HIS  19   1.980  -2.054   1.451
  140    HD2  HIS  19           2HD      HIS  19   0.826   0.205   2.366
  141    HE1  HIS  19           1HE      HIS  19  -1.207   1.223  -1.194
  142    HE2  HIS  19           2HE      HIS  19  -1.013   1.684   1.296
  143    H    MET  20           H        MET  20   3.499  -0.096   1.791
  144    HA   MET  20           HA       MET  20   3.020   2.467   0.977
  145   1HB   MET  20          2HB       MET  20   3.448   1.823   3.307
  146   2HB   MET  20          1HB       MET  20   5.150   1.585   2.934
  147   1HG   MET  20          2HG       MET  20   5.552   3.852   2.706
  148   2HG   MET  20          1HG       MET  20   3.850   4.228   2.439
  149   1HE   MET  20          1HE       MET  20   2.007   3.605   4.883
  150   2HE   MET  20          2HE       MET  20   2.380   5.030   3.913
  151   3HE   MET  20          3HE       MET  20   2.462   5.115   5.672
  152    H    THR  21           H        THR  21   6.118   0.738   0.736
  153    HA   THR  21           HA       THR  21   7.683   2.841  -0.205
  154    HB   THR  21           HB       THR  21   8.574   0.650   0.503
  155    HG1  THR  21           1HG      THR  21  10.157   0.529  -1.128
  156   1HG2  THR  21          1HG2      THR  21   8.657  -0.944  -1.673
  157   2HG2  THR  21          2HG2      THR  21   7.014  -0.311  -1.782
  158   3HG2  THR  21          3HG2      THR  21   7.542  -1.152  -0.324
  159    H    HIS  22           H        HIS  22   5.243   0.994  -1.812
  160    HA   HIS  22           HA       HIS  22   5.907   2.305  -4.343
  161   1HB   HIS  22          2HB       HIS  22   5.914   0.243  -5.226
  162   2HB   HIS  22          1HB       HIS  22   5.345  -0.453  -3.717
  163    HD1  HIS  22           1HD      HIS  22   4.463  -0.366  -7.103
  164    HD2  HIS  22           2HD      HIS  22   2.279   0.078  -3.583
  165    HE1  HIS  22           1HE      HIS  22   2.075  -0.844  -7.726
  166    HE2  HIS  22           2HE      HIS  22   0.768  -0.511  -5.599
  167    H    CYS  23           H        CYS  23   3.928   2.640  -1.830
  168    HA   CYS  23           HA       CYS  23   1.809   3.822  -3.453
  169   1HB   CYS  23          2HB       CYS  23   1.604   1.546  -1.581
  170   2HB   CYS  23          1HB       CYS  23   0.369   2.776  -1.406
  171    H    ALA  24           H        ALA  24   4.047   4.888  -1.858
  172    HA   ALA  24           HA       ALA  24   3.185   5.845   0.640
  173   1HB   ALA  24          1HB       ALA  24   5.519   5.867   0.059
  174   2HB   ALA  24          2HB       ALA  24   4.995   7.521   0.381
  175   3HB   ALA  24          3HB       ALA  24   5.217   6.973  -1.280
  176    H    LYS  25           H        LYS  25   3.055   8.322   1.037
  177    HA   LYS  25           HA       LYS  25   0.850   9.297  -0.608
  178   1HB   LYS  25          2HB       LYS  25   1.947  10.237   2.047
  179   2HB   LYS  25          1HB       LYS  25   0.594  10.990   1.214
  180   1HG   LYS  25          2HG       LYS  25   0.383   8.084   1.666
  181   2HG   LYS  25          1HG       LYS  25   0.316   9.110   3.101
  182   1HD   LYS  25          2HD       LYS  25  -1.347  10.453   1.439
  183   2HD   LYS  25          1HD       LYS  25  -1.616   8.795   0.901
  184   1HE   LYS  25          2HE       LYS  25  -2.356   8.108   3.015
  185   2HE   LYS  25          1HE       LYS  25  -1.677   9.528   3.809
  186   1HZ   LYS  25          1HZ       LYS  25  -4.173   9.253   2.307
  187   2HZ   LYS  25          2HZ       LYS  25  -3.372  10.741   2.236
  188   3HZ   LYS  25          3HZ       LYS  25  -3.858  10.113   3.730
  Start of MODEL   19
    1   1H    ARG   1          1HT       ARG   1  -2.906   1.846   6.683
    2   2H    ARG   1          2HT       ARG   1  -1.263   1.610   7.122
    3   3H    ARG   1          3HT       ARG   1  -2.494   1.516   8.314
    4    HA   ARG   1           HA       ARG   1  -1.596  -0.628   7.573
    5   1HB   ARG   1          2HB       ARG   1  -4.052   0.104   8.386
    6   2HB   ARG   1          1HB       ARG   1  -4.466  -0.558   6.810
    7   1HG   ARG   1          2HG       ARG   1  -3.894  -2.691   7.398
    8   2HG   ARG   1          1HG       ARG   1  -2.727  -2.162   8.612
    9   1HD   ARG   1          2HD       ARG   1  -4.789  -1.264   9.874
   10   2HD   ARG   1          1HD       ARG   1  -5.714  -2.317   8.805
   11    HE   ARG   1           HE       ARG   1  -3.816  -3.963   9.811
   12   1HH1  ARG   1          1HH1      ARG   1  -6.128  -1.800  11.278
   13   2HH1  ARG   1          2HH1      ARG   1  -6.286  -2.746  12.719
   14   1HH2  ARG   1          1HH2      ARG   1  -4.023  -5.209  11.705
   15   2HH2  ARG   1          2HH2      ARG   1  -5.091  -4.681  12.962
   16    H    VAL   2           H        VAL   2  -2.500  -2.371   5.923
   17    HA   VAL   2           HA       VAL   2  -1.805  -1.345   3.273
   18    HB   VAL   2           HB       VAL   2  -0.525  -3.268   4.133
   19   1HG1  VAL   2          1HG1      VAL   2  -1.637  -4.775   5.341
   20   2HG1  VAL   2          2HG1      VAL   2  -2.174  -5.452   3.805
   21   3HG1  VAL   2          3HG1      VAL   2  -3.192  -4.295   4.662
   22   1HG2  VAL   2          1HG2      VAL   2  -1.902  -3.124   1.605
   23   2HG2  VAL   2          2HG2      VAL   2  -1.573  -4.800   2.045
   24   3HG2  VAL   2          3HG2      VAL   2  -0.252  -3.636   1.957
   25    H    ILE   3           H        ILE   3  -4.367  -0.691   4.190
   26    HA   ILE   3           HA       ILE   3  -6.104  -2.442   2.579
   27    HB   ILE   3           HB       ILE   3  -6.779  -2.293   4.928
   28   1HG1  ILE   3          2HG1      ILE   3  -8.894  -0.662   3.661
   29   2HG1  ILE   3          1HG1      ILE   3  -8.396  -2.088   2.756
   30   1HG2  ILE   3          1HG2      ILE   3  -6.423   0.582   4.433
   31   2HG2  ILE   3          2HG2      ILE   3  -6.245  -0.348   5.919
   32   3HG2  ILE   3          3HG2      ILE   3  -7.848   0.150   5.378
   33   1HD1  ILE   3          1HD1      ILE   3 -10.136  -1.913   4.987
   34   2HD1  ILE   3          2HD1      ILE   3  -8.726  -2.865   5.452
   35   3HD1  ILE   3          3HD1      ILE   3  -9.682  -3.334   4.046
   36    H    ALA   4           H        ALA   4  -4.884   0.780   2.972
   37    HA   ALA   4           HA       ALA   4  -6.786   2.241   1.536
   38   1HB   ALA   4          1HB       ALA   4  -3.901   2.619   2.169
   39   2HB   ALA   4          2HB       ALA   4  -5.295   3.599   2.624
   40   3HB   ALA   4          3HB       ALA   4  -4.657   3.680   0.981
   41    H    CYS   5           H        CYS   5  -4.280   0.081   0.459
   42    HA   CYS   5           HA       CYS   5  -3.947   0.924  -2.175
   43   1HB   CYS   5          2HB       CYS   5  -2.740  -0.948  -0.814
   44   2HB   CYS   5          1HB       CYS   5  -3.992  -1.995  -1.474
   45    H    PHE   6           H        PHE   6  -5.148   0.809  -3.970
   46    HA   PHE   6           HA       PHE   6  -7.799  -0.417  -3.758
   47   1HB   PHE   6          2HB       PHE   6  -8.384   0.940  -5.709
   48   2HB   PHE   6          1HB       PHE   6  -7.700   1.944  -4.435
   49    HD1  PHE   6           1HD      PHE   6  -7.288   0.673  -7.808
   50    HD2  PHE   6           2HD      PHE   6  -5.438   2.867  -4.666
   51    HE1  PHE   6           1HE      PHE   6  -5.633   1.555  -9.402
   52    HE2  PHE   6           2HE      PHE   6  -3.781   3.753  -6.254
   53    HZ   PHE   6           HZ       PHE   6  -3.878   3.098  -8.626
   54    H    LEU   7           H        LEU   7  -5.503  -2.090  -4.107
   55    HA   LEU   7           HA       LEU   7  -6.152  -3.247  -6.732
   56   1HB   LEU   7          2HB       LEU   7  -3.404  -3.424  -5.532
   57   2HB   LEU   7          1HB       LEU   7  -3.897  -3.752  -7.182
   58    HG   LEU   7           HG       LEU   7  -4.028  -0.987  -6.003
   59   1HD1  LEU   7          1HD1      LEU   7  -1.730  -2.310  -7.433
   60   2HD1  LEU   7          2HD1      LEU   7  -1.736  -1.667  -5.790
   61   3HD1  LEU   7          3HD1      LEU   7  -1.876  -0.573  -7.166
   62   1HD2  LEU   7          1HD2      LEU   7  -4.202  -0.254  -8.233
   63   2HD2  LEU   7          2HD2      LEU   7  -5.298  -1.630  -8.105
   64   3HD2  LEU   7          3HD2      LEU   7  -3.723  -1.827  -8.872
   65    H    LYS   8           H        LYS   8  -4.458  -5.512  -6.422
   66    HA   LYS   8           HA       LYS   8  -5.535  -6.832  -4.032
   67   1HB   LYS   8          2HB       LYS   8  -5.500  -8.171  -6.733
   68   2HB   LYS   8          1HB       LYS   8  -6.278  -8.729  -5.258
   69   1HG   LYS   8          2HG       LYS   8  -8.110  -7.923  -6.300
   70   2HG   LYS   8          1HG       LYS   8  -7.572  -6.416  -5.558
   71   1HD   LYS   8          2HD       LYS   8  -6.926  -5.515  -7.537
   72   2HD   LYS   8          1HD       LYS   8  -6.418  -7.070  -8.200
   73   1HE   LYS   8          2HE       LYS   8  -9.029  -7.530  -8.113
   74   2HE   LYS   8          1HE       LYS   8  -9.090  -5.770  -8.215
   75   1HZ   LYS   8          1HZ       LYS   8  -8.266  -7.717 -10.208
   76   2HZ   LYS   8          2HZ       LYS   8  -7.339  -6.304 -10.136
   77   3HZ   LYS   8          3HZ       LYS   8  -9.005  -6.207 -10.408
   78    H    VAL   9           H        VAL   9  -3.275  -7.057  -6.760
   79    HA   VAL   9           HA       VAL   9  -1.674  -9.101  -5.631
   80    HB   VAL   9           HB       VAL   9  -1.649  -8.597  -8.035
   81   1HG1  VAL   9          1HG1      VAL   9   0.098  -6.228  -7.605
   82   2HG1  VAL   9          2HG1      VAL   9  -1.648  -6.023  -7.458
   83   3HG1  VAL   9          3HG1      VAL   9  -0.954  -6.626  -8.963
   84   1HG2  VAL   9          1HG2      VAL   9   0.609  -9.057  -8.385
   85   2HG2  VAL   9          2HG2      VAL   9   0.324  -9.623  -6.739
   86   3HG2  VAL   9          3HG2      VAL   9   1.121  -8.075  -7.013
   87    H    CYS  10           H        CYS  10  -1.737  -5.635  -5.282
   88    HA   CYS  10           HA       CYS  10   0.826  -5.594  -3.899
   89   1HB   CYS  10          2HB       CYS  10   0.222  -3.770  -5.477
   90   2HB   CYS  10          1HB       CYS  10  -1.116  -3.331  -4.419
   91    H    ALA  11           H        ALA  11  -2.581  -4.836  -3.214
   92    HA   ALA  11           HA       ALA  11  -2.193  -4.279  -0.468
   93   1HB   ALA  11          1HB       ALA  11  -4.407  -3.850  -0.417
   94   2HB   ALA  11          2HB       ALA  11  -4.823  -5.325  -1.290
   95   3HB   ALA  11          3HB       ALA  11  -4.244  -3.912  -2.172
   96    H    ALA  12           H        ALA  12  -3.184  -7.207  -2.203
   97    HA   ALA  12           HA       ALA  12  -3.349  -8.736   0.252
   98   1HB   ALA  12          1HB       ALA  12  -4.463 -10.302  -0.940
   99   2HB   ALA  12          2HB       ALA  12  -3.427 -10.121  -2.355
  100   3HB   ALA  12          3HB       ALA  12  -4.704  -8.946  -2.043
  101    H    ALA  13           H        ALA  13  -0.748  -7.633  -0.332
  102    HA   ALA  13           HA       ALA  13   0.831  -9.952  -1.143
  103   1HB   ALA  13          1HB       ALA  13   1.411  -7.039  -0.846
  104   2HB   ALA  13          2HB       ALA  13   1.679  -8.104  -2.227
  105   3HB   ALA  13          3HB       ALA  13   2.733  -8.205  -0.816
  106    H    ALA  14           H        ALA  14  -0.499  -8.873   1.656
  107    HA   ALA  14           HA       ALA  14  -0.119  -9.246   3.866
  108   1HB   ALA  14          1HB       ALA  14   2.009 -11.236   3.331
  109   2HB   ALA  14          2HB       ALA  14   0.409 -11.561   2.663
  110   3HB   ALA  14          3HB       ALA  14   0.609 -11.331   4.400
  111    H    ASN  15           H        ASN  15   1.485  -7.241   2.475
  112    HA   ASN  15           HA       ASN  15   3.579  -6.972   4.491
  113   1HB   ASN  15          2HB       ASN  15   4.297  -7.914   2.053
  114   2HB   ASN  15          1HB       ASN  15   4.422  -6.180   1.768
  115   1HD2  ASN  15          1HD2      ASN  15   5.252  -5.308   4.240
  116   2HD2  ASN  15          2HD2      ASN  15   6.836  -5.921   4.561
  117    H    VAL  16           H        VAL  16   2.821  -5.192   5.471
  118    HA   VAL  16           HA       VAL  16   1.458  -3.088   4.141
  119    HB   VAL  16           HB       VAL  16   2.807  -2.957   6.840
  120   1HG1  VAL  16          1HG1      VAL  16   0.868  -1.342   7.240
  121   2HG1  VAL  16          2HG1      VAL  16   0.686  -1.319   5.486
  122   3HG1  VAL  16          3HG1      VAL  16   2.195  -0.781   6.222
  123   1HG2  VAL  16          1HG2      VAL  16  -0.083  -3.461   6.723
  124   2HG2  VAL  16          2HG2      VAL  16   1.147  -4.143   7.786
  125   3HG2  VAL  16          3HG2      VAL  16   0.924  -4.795   6.162
  126    H    ALA  17           H        ALA  17   4.778  -3.453   5.334
  127    HA   ALA  17           HA       ALA  17   5.641  -0.846   4.689
  128   1HB   ALA  17          1HB       ALA  17   7.516  -3.172   4.662
  129   2HB   ALA  17          2HB       ALA  17   6.745  -2.678   6.170
  130   3HB   ALA  17          3HB       ALA  17   7.761  -1.540   5.283
  131    H    ALA  18           H        ALA  18   5.908  -3.921   2.922
  132    HA   ALA  18           HA       ALA  18   7.331  -2.983   0.715
  133   1HB   ALA  18          1HB       ALA  18   6.905  -5.011  -0.263
  134   2HB   ALA  18          2HB       ALA  18   5.243  -5.069   0.324
  135   3HB   ALA  18          3HB       ALA  18   6.580  -5.399   1.427
  136    H    HIS  19           H        HIS  19   3.932  -2.765   1.500
  137    HA   HIS  19           HA       HIS  19   3.100  -1.936  -1.110
  138   1HB   HIS  19          2HB       HIS  19   1.317  -2.847   0.027
  139   2HB   HIS  19          1HB       HIS  19   1.823  -2.181   1.575
  140    HD2  HIS  19           2HD      HIS  19   0.501   0.039   2.349
  141    HE1  HIS  19           1HE      HIS  19  -1.281   0.906  -1.382
  142    HE2  HIS  19           2HE      HIS  19  -1.305   1.421   1.106
  143    H    MET  20           H        MET  20   3.185  -0.170   1.994
  144    HA   MET  20           HA       MET  20   2.689   2.361   1.112
  145   1HB   MET  20          2HB       MET  20   3.232   1.403   3.500
  146   2HB   MET  20          1HB       MET  20   4.851   1.990   3.144
  147   1HG   MET  20          2HG       MET  20   3.579   4.195   2.530
  148   2HG   MET  20          1HG       MET  20   2.332   3.510   3.572
  149   1HE   MET  20          1HE       MET  20   2.847   3.273   6.508
  150   2HE   MET  20          2HE       MET  20   2.037   4.456   5.482
  151   3HE   MET  20          3HE       MET  20   3.186   4.992   6.708
  152    H    THR  21           H        THR  21   5.862   0.759   1.153
  153    HA   THR  21           HA       THR  21   7.412   2.915   0.309
  154    HB   THR  21           HB       THR  21   8.343   0.786   1.132
  155    HG1  THR  21           1HG      THR  21  10.031   0.663  -0.421
  156   1HG2  THR  21          1HG2      THR  21   8.672  -0.915  -0.874
  157   2HG2  THR  21          2HG2      THR  21   7.082  -0.289  -1.313
  158   3HG2  THR  21          3HG2      THR  21   7.333  -1.037   0.265
  159    H    HIS  22           H        HIS  22   5.207   0.924  -1.462
  160    HA   HIS  22           HA       HIS  22   6.025   2.222  -3.954
  161   1HB   HIS  22          2HB       HIS  22   6.186   0.149  -4.793
  162   2HB   HIS  22          1HB       HIS  22   5.531  -0.544  -3.317
  163    HD1  HIS  22           1HD      HIS  22   4.915  -0.559  -6.764
  164    HD2  HIS  22           2HD      HIS  22   2.442  -0.149  -3.435
  165    HE1  HIS  22           1HE      HIS  22   2.606  -1.154  -7.560
  166    HE2  HIS  22           2HE      HIS  22   1.121  -0.834  -5.552
  167    H    CYS  23           H        CYS  23   3.834   2.533  -1.625
  168    HA   CYS  23           HA       CYS  23   1.811   3.584  -3.447
  169   1HB   CYS  23          2HB       CYS  23   1.545   1.343  -1.542
  170   2HB   CYS  23          1HB       CYS  23   0.249   2.521  -1.501
  171    H    ALA  24           H        ALA  24   3.533   5.231  -2.250
  172    HA   ALA  24           HA       ALA  24   2.998   6.058   0.366
  173   1HB   ALA  24          1HB       ALA  24   4.950   6.937  -0.486
  174   2HB   ALA  24          2HB       ALA  24   3.871   8.328  -0.573
  175   3HB   ALA  24          3HB       ALA  24   4.207   7.380  -2.022
  176    H    LYS  25           H        LYS  25   2.270   8.555   0.606
  177    HA   LYS  25           HA       LYS  25  -0.361   8.795  -0.696
  178   1HB   LYS  25          2HB       LYS  25  -0.624   8.044   1.627
  179   2HB   LYS  25          1HB       LYS  25   0.311   9.425   2.184
  180   1HG   LYS  25          2HG       LYS  25  -1.591  10.711   0.805
  181   2HG   LYS  25          1HG       LYS  25  -2.491   9.269   1.278
  182   1HD   LYS  25          2HD       LYS  25  -1.265   9.897   3.612
  183   2HD   LYS  25          1HD       LYS  25  -1.488  11.501   2.914
  184   1HE   LYS  25          2HE       LYS  25  -3.710   9.482   3.101
  185   2HE   LYS  25          1HE       LYS  25  -3.361  10.634   4.389
  186   1HZ   LYS  25          1HZ       LYS  25  -4.065  12.390   3.136
  187   2HZ   LYS  25          2HZ       LYS  25  -5.089  11.187   2.532
  188   3HZ   LYS  25          3HZ       LYS  25  -3.715  11.644   1.658
  Start of MODEL   20
    1   1H    ARG   1          1HT       ARG   1  -0.654   0.772   7.547
    2   2H    ARG   1          2HT       ARG   1  -0.215  -0.802   8.072
    3   3H    ARG   1          3HT       ARG   1  -1.017   0.271   9.145
    4    HA   ARG   1           HA       ARG   1  -2.373  -1.532   8.122
    5   1HB   ARG   1          2HB       ARG   1  -2.974   0.892   9.081
    6   2HB   ARG   1          1HB       ARG   1  -3.520   1.126   7.426
    7   1HG   ARG   1          2HG       ARG   1  -5.450   0.316   8.236
    8   2HG   ARG   1          1HG       ARG   1  -4.671  -1.244   7.963
    9   1HD   ARG   1          2HD       ARG   1  -4.093   0.052  10.548
   10   2HD   ARG   1          1HD       ARG   1  -5.755  -0.488  10.316
   11    HE   ARG   1           HE       ARG   1  -3.430  -2.137  10.678
   12   1HH1  ARG   1          1HH1      ARG   1  -6.666  -2.006   9.379
   13   2HH1  ARG   1          2HH1      ARG   1  -6.903  -3.719   9.464
   14   1HH2  ARG   1          1HH2      ARG   1  -3.739  -4.389  10.789
   15   2HH2  ARG   1          2HH2      ARG   1  -5.242  -5.073  10.265
   16    H    VAL   2           H        VAL   2  -2.245  -2.656   6.284
   17    HA   VAL   2           HA       VAL   2  -1.828  -1.300   3.745
   18    HB   VAL   2           HB       VAL   2  -0.545  -3.336   4.218
   19   1HG1  VAL   2          1HG1      VAL   2  -3.216  -4.399   4.800
   20   2HG1  VAL   2          2HG1      VAL   2  -1.638  -4.887   5.418
   21   3HG1  VAL   2          3HG1      VAL   2  -2.188  -5.468   3.847
   22   1HG2  VAL   2          1HG2      VAL   2  -2.254  -2.960   1.887
   23   2HG2  VAL   2          2HG2      VAL   2  -1.728  -4.629   2.098
   24   3HG2  VAL   2          3HG2      VAL   2  -0.535  -3.336   1.982
   25    H    ILE   3           H        ILE   3  -4.188  -0.462   4.586
   26    HA   ILE   3           HA       ILE   3  -6.130  -2.024   3.012
   27    HB   ILE   3           HB       ILE   3  -6.620  -2.120   5.439
   28   1HG1  ILE   3          2HG1      ILE   3  -8.826  -0.434   4.419
   29   2HG1  ILE   3          1HG1      ILE   3  -8.357  -1.782   3.386
   30   1HG2  ILE   3          1HG2      ILE   3  -6.939  -0.296   6.774
   31   2HG2  ILE   3          2HG2      ILE   3  -7.435   0.738   5.434
   32   3HG2  ILE   3          3HG2      ILE   3  -5.730   0.353   5.666
   33   1HD1  ILE   3          1HD1      ILE   3 -10.125  -2.505   4.800
   34   2HD1  ILE   3          2HD1      ILE   3  -9.295  -1.909   6.237
   35   3HD1  ILE   3          3HD1      ILE   3  -8.641  -3.286   5.350
   36    H    ALA   4           H        ALA   4  -4.381   0.138   2.142
   37    HA   ALA   4           HA       ALA   4  -6.459   2.030   1.272
   38   1HB   ALA   4          1HB       ALA   4  -3.716   3.093   1.587
   39   2HB   ALA   4          2HB       ALA   4  -4.629   2.791   3.064
   40   3HB   ALA   4          3HB       ALA   4  -5.275   3.879   1.836
   41    H    CYS   5           H        CYS   5  -5.329  -0.341  -0.010
   42    HA   CYS   5           HA       CYS   5  -3.880   0.878  -2.260
   43   1HB   CYS   5          2HB       CYS   5  -2.886  -1.113  -1.009
   44   2HB   CYS   5          1HB       CYS   5  -4.170  -2.077  -1.727
   45    H    PHE   6           H        PHE   6  -4.682   0.800  -4.306
   46    HA   PHE   6           HA       PHE   6  -7.463  -0.077  -4.570
   47   1HB   PHE   6          2HB       PHE   6  -7.332   1.235  -6.745
   48   2HB   PHE   6          1HB       PHE   6  -7.182   2.175  -5.264
   49    HD1  PHE   6           1HD      PHE   6  -5.318   0.743  -8.101
   50    HD2  PHE   6           2HD      PHE   6  -5.214   3.392  -4.774
   51    HE1  PHE   6           1HE      PHE   6  -3.192   1.677  -8.916
   52    HE2  PHE   6           2HE      PHE   6  -3.089   4.333  -5.583
   53    HZ   PHE   6           HZ       PHE   6  -2.076   3.475  -7.657
   54    H    LEU   7           H        LEU   7  -5.379  -2.037  -4.517
   55    HA   LEU   7           HA       LEU   7  -5.797  -3.210  -7.171
   56   1HB   LEU   7          2HB       LEU   7  -3.171  -3.507  -5.743
   57   2HB   LEU   7          1HB       LEU   7  -3.549  -3.866  -7.417
   58    HG   LEU   7           HG       LEU   7  -3.634  -1.051  -6.369
   59   1HD1  LEU   7          1HD1      LEU   7  -1.284  -2.731  -7.012
   60   2HD1  LEU   7          2HD1      LEU   7  -1.438  -1.365  -5.908
   61   3HD1  LEU   7          3HD1      LEU   7  -1.294  -1.084  -7.643
   62   1HD2  LEU   7          1HD2      LEU   7  -4.700  -1.621  -8.546
   63   2HD2  LEU   7          2HD2      LEU   7  -3.119  -2.138  -9.132
   64   3HD2  LEU   7          3HD2      LEU   7  -3.383  -0.455  -8.675
   65    H    LYS   8           H        LYS   8  -4.267  -5.557  -6.630
   66    HA   LYS   8           HA       LYS   8  -5.628  -6.714  -4.300
   67   1HB   LYS   8          2HB       LYS   8  -5.564  -7.884  -7.087
   68   2HB   LYS   8          1HB       LYS   8  -6.087  -8.763  -5.657
   69   1HG   LYS   8          2HG       LYS   8  -8.065  -7.667  -5.531
   70   2HG   LYS   8          1HG       LYS   8  -7.404  -6.170  -6.191
   71   1HD   LYS   8          2HD       LYS   8  -7.491  -8.488  -8.022
   72   2HD   LYS   8          1HD       LYS   8  -9.047  -7.792  -7.563
   73   1HE   LYS   8          2HE       LYS   8  -8.564  -5.745  -8.531
   74   2HE   LYS   8          1HE       LYS   8  -6.822  -6.012  -8.463
   75   1HZ   LYS   8          1HZ       LYS   8  -7.893  -6.168 -10.722
   76   2HZ   LYS   8          2HZ       LYS   8  -8.604  -7.612 -10.205
   77   3HZ   LYS   8          3HZ       LYS   8  -6.920  -7.479 -10.277
   78    H    VAL   9           H        VAL   9  -3.161  -7.192  -6.811
   79    HA   VAL   9           HA       VAL   9  -1.776  -9.241  -5.403
   80    HB   VAL   9           HB       VAL   9  -1.576  -8.976  -7.837
   81   1HG1  VAL   9          1HG1      VAL   9  -0.221  -6.393  -7.101
   82   2HG1  VAL   9          2HG1      VAL   9  -1.620  -6.632  -8.148
   83   3HG1  VAL   9          3HG1      VAL   9  -0.024  -7.167  -8.673
   84   1HG2  VAL   9          1HG2      VAL   9   1.164  -8.505  -6.731
   85   2HG2  VAL   9          2HG2      VAL   9   0.641  -9.634  -7.981
   86   3HG2  VAL   9          3HG2      VAL   9   0.259  -9.953  -6.289
   87    H    CYS  10           H        CYS  10  -1.658  -5.761  -5.385
   88    HA   CYS  10           HA       CYS  10   0.845  -5.663  -3.929
   89   1HB   CYS  10          2HB       CYS  10   0.263  -3.912  -5.581
   90   2HB   CYS  10          1HB       CYS  10  -1.106  -3.444  -4.578
   91    H    ALA  11           H        ALA  11  -2.592  -5.099  -3.299
   92    HA   ALA  11           HA       ALA  11  -2.195  -4.388  -0.556
   93   1HB   ALA  11          1HB       ALA  11  -4.223  -3.998  -2.285
   94   2HB   ALA  11          2HB       ALA  11  -4.394  -3.893  -0.534
   95   3HB   ALA  11          3HB       ALA  11  -4.846  -5.374  -1.377
   96    H    ALA  12           H        ALA  12  -3.161  -7.325  -2.272
   97    HA   ALA  12           HA       ALA  12  -3.462  -8.814   0.195
   98   1HB   ALA  12          1HB       ALA  12  -4.520 -10.397  -1.029
   99   2HB   ALA  12          2HB       ALA  12  -3.420 -10.231  -2.399
  100   3HB   ALA  12          3HB       ALA  12  -4.708  -9.051  -2.154
  101    H    ALA  13           H        ALA  13  -0.826  -7.739  -0.275
  102    HA   ALA  13           HA       ALA  13   0.758 -10.115  -0.919
  103   1HB   ALA  13          1HB       ALA  13   1.318  -7.195  -0.874
  104   2HB   ALA  13          2HB       ALA  13   1.716  -8.404  -2.094
  105   3HB   ALA  13          3HB       ALA  13   2.654  -8.314  -0.603
  106    H    ALA  14           H        ALA  14  -0.641  -8.821   1.753
  107    HA   ALA  14           HA       ALA  14  -0.330  -9.032   3.996
  108   1HB   ALA  14          1HB       ALA  14   1.748 -11.126   3.547
  109   2HB   ALA  14          2HB       ALA  14   0.081 -11.437   3.062
  110   3HB   ALA  14          3HB       ALA  14   0.454 -11.062   4.745
  111    H    ASN  15           H        ASN  15   1.359  -7.169   2.510
  112    HA   ASN  15           HA       ASN  15   3.434  -6.832   4.544
  113   1HB   ASN  15          2HB       ASN  15   4.157  -7.873   2.162
  114   2HB   ASN  15          1HB       ASN  15   4.258  -6.157   1.777
  115   1HD2  ASN  15          1HD2      ASN  15   5.840  -8.780   3.108
  116   2HD2  ASN  15          2HD2      ASN  15   7.144  -7.941   3.870
  117    H    VAL  16           H        VAL  16   2.792  -4.990   5.466
  118    HA   VAL  16           HA       VAL  16   1.402  -2.926   4.084
  119    HB   VAL  16           HB       VAL  16   2.806  -2.688   6.745
  120   1HG1  VAL  16          1HG1      VAL  16   0.274  -1.292   6.047
  121   2HG1  VAL  16          2HG1      VAL  16   1.786  -0.681   5.375
  122   3HG1  VAL  16          3HG1      VAL  16   1.580  -0.795   7.123
  123   1HG2  VAL  16          1HG2      VAL  16   0.243  -3.131   7.414
  124   2HG2  VAL  16          2HG2      VAL  16   1.452  -4.410   7.310
  125   3HG2  VAL  16          3HG2      VAL  16   0.350  -4.127   5.963
  126    H    ALA  17           H        ALA  17   4.712  -3.169   5.376
  127    HA   ALA  17           HA       ALA  17   5.588  -0.636   4.568
  128   1HB   ALA  17          1HB       ALA  17   6.897  -3.168   5.369
  129   2HB   ALA  17          2HB       ALA  17   7.084  -1.538   6.017
  130   3HB   ALA  17          3HB       ALA  17   7.886  -1.987   4.511
  131    H    ALA  18           H        ALA  18   5.846  -3.778   2.919
  132    HA   ALA  18           HA       ALA  18   7.247  -2.929   0.666
  133   1HB   ALA  18          1HB       ALA  18   6.512  -5.313   1.467
  134   2HB   ALA  18          2HB       ALA  18   6.787  -4.987  -0.244
  135   3HB   ALA  18          3HB       ALA  18   5.144  -5.024   0.393
  136    H    HIS  19           H        HIS  19   3.822  -2.774   1.420
  137    HA   HIS  19           HA       HIS  19   3.022  -1.960  -1.205
  138   1HB   HIS  19          2HB       HIS  19   1.239  -2.927  -0.119
  139   2HB   HIS  19          1HB       HIS  19   1.697  -2.272   1.447
  140    HD2  HIS  19           2HD      HIS  19   0.305  -0.099   2.230
  141    HE1  HIS  19           1HE      HIS  19  -1.452   0.762  -1.515
  142    HE2  HIS  19           2HE      HIS  19  -1.526   1.242   0.978
  143    H    MET  20           H        MET  20   3.030  -0.215   1.912
  144    HA   MET  20           HA       MET  20   2.455   2.308   1.038
  145   1HB   MET  20          2HB       MET  20   4.132   1.281   3.289
  146   2HB   MET  20          1HB       MET  20   4.100   3.010   2.972
  147   1HG   MET  20          2HG       MET  20   1.471   1.703   3.081
  148   2HG   MET  20          1HG       MET  20   2.375   1.720   4.594
  149   1HE   MET  20          1HE       MET  20   2.197   3.460   6.203
  150   2HE   MET  20          2HE       MET  20   2.174   5.192   5.873
  151   3HE   MET  20          3HE       MET  20   3.576   4.226   5.414
  152    H    THR  21           H        THR  21   5.676   0.804   1.109
  153    HA   THR  21           HA       THR  21   7.172   3.008   0.301
  154    HB   THR  21           HB       THR  21   8.141   0.885   1.110
  155    HG1  THR  21           1HG      THR  21   9.085   1.535  -1.479
  156   1HG2  THR  21          1HG2      THR  21   6.857  -0.189  -1.284
  157   2HG2  THR  21          2HG2      THR  21   7.352  -0.994   0.206
  158   3HG2  THR  21          3HG2      THR  21   8.535  -0.684  -1.065
  159    H    HIS  22           H        HIS  22   5.027   0.997  -1.513
  160    HA   HIS  22           HA       HIS  22   5.837   2.347  -3.980
  161   1HB   HIS  22          2HB       HIS  22   6.073   0.293  -4.849
  162   2HB   HIS  22          1HB       HIS  22   5.431  -0.443  -3.389
  163    HD1  HIS  22           1HD      HIS  22   4.844  -0.434  -6.839
  164    HD2  HIS  22           2HD      HIS  22   2.331  -0.145  -3.529
  165    HE1  HIS  22           1HE      HIS  22   2.564  -1.094  -7.663
  166    HE2  HIS  22           2HE      HIS  22   1.051  -0.845  -5.666
  167    H    CYS  23           H        CYS  23   3.612   2.552  -1.672
  168    HA   CYS  23           HA       CYS  23   1.577   3.565  -3.500
  169   1HB   CYS  23          2HB       CYS  23   1.359   1.290  -1.630
  170   2HB   CYS  23          1HB       CYS  23   0.026   2.424  -1.591
  171    H    ALA  24           H        ALA  24   3.260   5.224  -2.228
  172    HA   ALA  24           HA       ALA  24   2.641   5.997   0.385
  173   1HB   ALA  24          1HB       ALA  24   4.626   6.843  -0.563
  174   2HB   ALA  24          2HB       ALA  24   3.572   8.240  -0.341
  175   3HB   ALA  24          3HB       ALA  24   3.767   7.529  -1.943
  176    H    LYS  25           H        LYS  25   1.834   8.442   0.690
  177    HA   LYS  25           HA       LYS  25  -0.724   8.718  -0.739
  178   1HB   LYS  25          2HB       LYS  25  -0.899   7.757   1.624
  179   2HB   LYS  25          1HB       LYS  25  -0.393   9.343   2.190
  180   1HG   LYS  25          2HG       LYS  25  -2.659   9.277   0.296
  181   2HG   LYS  25          1HG       LYS  25  -2.950   8.634   1.913
  182   1HD   LYS  25          2HD       LYS  25  -1.627  10.927   2.501
  183   2HD   LYS  25          1HD       LYS  25  -2.478  11.401   1.029
  184   1HE   LYS  25          2HE       LYS  25  -4.575  11.005   1.971
  185   2HE   LYS  25          1HE       LYS  25  -3.911   9.995   3.254
  186   1HZ   LYS  25          1HZ       LYS  25  -3.127  11.847   4.402
  187   2HZ   LYS  25          2HZ       LYS  25  -4.652  12.336   3.858
  188   3HZ   LYS  25          3HZ       LYS  25  -3.258  12.871   3.062