*HEADER    DE NOVO PROTEIN                         23-AUG-06   2DX2              
*TITLE     NMR STRUCTURE OF TP (TARGET PEPTIDE): MONOMERIC 3_10 HELIX            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TARGET PEPTIDE;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED AND            
*SOURCE   4 DOES NOT APPEAR TO OCCUR IN NATURE. THIS SEQUENCE WAS                
*SOURCE   5 DESIGNED BASED ON RESIDUES 101-111 OF HUMAN ALPHA-                   
*SOURCE   6 LACTALBUMIN.                                                         
*KEYWDS    3-10 HELIX                                                            
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    A.TAMURA, M.ARAKI                                                     
*REVDAT   1   02-JAN-07 2DX2    0                                                

3 TYR PHI     -95.0   -35.0
6 ALA PHI     -95.0   -35.0
8 ALA PHI     -95.0   -35.0
10 ALA PHI     -95.0   -35.0

   1    3.744  0.010     HA 1
   2    1.808  0.005     HB 1
   3    1.103  0.008   HG12 1
   4    1.395  0.000   HG13 1
   5    8.101  0.000     HN 1
   6    0.853  0.004    QD1 1
   7    0.767  0.003    QG2 1
   8    4.685  0.001     HA 2
   9    2.518  0.010    HB2 2
  10    2.588  0.011    HB3 2
  11    7.056  0.001   HD21 2
  12    7.634  0.000   HD22 2
  13    8.720  0.001     HN 2
  14    4.360  0.004     HA 3
  15    8.483  0.011     HN 3
  16    2.832  0.007     QB 3
  17    6.917  0.004     QD 3
  18    6.683  0.005     QE 3
  19    4.599  0.008     HA 4
  20    3.244  0.004    HB2 4
  21    3.309  0.013    HB3 4
  22    7.258  0.002    HD1 4
  23   10.244  0.000    HE1 4
  24    7.572  0.005    HE3 4
  25    7.249  0.004    HH2 4
  26    8.084  0.001     HN 4
  27    7.489  0.002    HZ2 4
  28    7.165  0.003    HZ3 4
  29    4.218  0.002     HA 5
  30    1.441  0.000     HG 5
  31    7.764  0.003     HN 5
  32    1.502  0.002     QB 5
  33    0.854  0.005    QD1 5
  34    0.918  0.003    QD2 5
  35    4.110  0.006     HA 6
  36    8.046  0.007     HN 6
  37    1.281  0.005     QB 6
  38    4.603  0.004     HA 7
  39    3.030  0.008    HB2 7
  40    3.238  0.006    HB3 7
  41    7.216  0.002    HD2 7
  42    8.543  0.001    HE1 7
  43    8.251  0.009     HN 7
  44    4.285  0.002     HA 8
  45    8.321  0.001     HN 8
  46    1.375  0.004     QB 8
  47    4.281  0.004     HA 9
  48    1.764  0.006    HB2 9
  49    1.833  0.008    HB3 9
  50    8.466  0.007     HN 9
  51    1.669  0.000     QD 9
  52    1.436  0.007     QG 9
  53    4.355  0.000     HA 10
  54    8.501  0.001     HN 10
  55    1.397  0.004     QB 10
  56    8.081  0.000     HN 11
  57    3.794  0.000     QA 11


# Number of dimensions 2
   1  6.919  8.488  1 U  1.28e+07        0 e 0   17   15 
   2  7.259 10.244  1 U  2.63e+07        0 e 0   22   23 
   3  7.487 10.244  1 U  9.89e+06        0 e 0   27   23 
   4  8.477  8.721  1 U  5.77e+06        0 e 0   15   13 
   5  8.450  8.321  1 U  1.78e+07        0 e 0   50   45 
   6  8.456  8.084  1 U  7.61e+07        0 e 0   15   26 
   7  8.234  8.065  1 U  5.42e+08        0 e 0   43   36 
   8  6.911  8.083  1 U  8.74e+06        0 e 0   17   26 
   9  7.260  8.083  1 U  8.87e+06        0 e 0   22   26 
  10  7.580  8.083  1 U  2.27e+07        0 e 0   24   26 
  11  7.759  8.084  1 U  5.18e+07        0 e 0   31   26 
  12  7.761  8.044  1 U  2.87e+07        0 e 0   31   36 
  13  8.235  7.761  1 U  4.39e+06        0 e 0   43   31 
  14  8.544  7.215  1 U  3.26e+06        0 e 0   42   41 
  15  8.247  7.215  1 U  5.62e+06        0 e 0   43   41 
  16  7.245  7.491  1 U  8.92e+07        0 e 0   25   27 
  17  7.162  7.575  1 U  5.42e+07        0 e 0   28   24 
  18  7.054  7.634  1 U  2.62e+08        0 e 0   11   12 
  19  6.684  6.922  1 U  1.87e+08        0 e 0   18   17 
  20  7.169  6.684  1 U  1.08e+07        0 e 0   28   18 
  21  7.253  6.918  1 U  7.03e+06        0 e 0   25   17 
  22  7.574  6.910  1 U  9.39e+06        0 e 0   24   17 
  23  4.684  8.720  1 U  1.84e+07        0 e 0    8   13 
  24  3.744  8.720  1 U  5.88e+07        0 e 0    1   13 
  25  4.686  8.488  1 U  8.83e+07        0 e 0    8   15 
  26  4.358  8.494  1 U   4.3e+07        0 e 0   14   15 
  27  4.277  8.502  1 U  6.19e+07        0 e 0   47   54 
  28  4.285  8.469  1 U  1.08e+08        0 e 0   47   50 
  29  4.687  8.086  1 U  6.76e+06        0 e 0    8   26 
  30  4.607  8.321  1 U  7.01e+07        0 e 0   38   45 
  31  4.607  8.255  1 U  3.74e+07        0 e 0   38   43 
  32  4.599  8.084  1 U   3.1e+07        0 e 0   19   26 
  33  4.596  8.042  1 U  5.51e+06        0 e 0   19   36 
  34  4.598  7.766  1 U  7.96e+07        0 e 0   19   31 
  35  4.598  7.568  1 U  2.56e+07        0 e 0   19   24 
  36  4.599  7.260  1 U  1.54e+07        0 e 0   19   22 
  37  4.596  7.215  1 U  7.96e+06        0 e 0   38   41 
  38  4.595  6.921  1 U  7.96e+06        0 e 0   19   17 
  39  4.357  8.085  1 U  8.31e+07        0 e 0   14   26 
  40  4.366  8.044  1 U  4.17e+06        0 e 0   14   36 
  41  4.356  6.917  1 U  3.33e+07        0 e 0   14   17 
  42  4.287  8.321  1 U  2.44e+07        0 e 0   44   45 
  43  4.219  8.260  1 U  1.04e+07        0 e 0   29   43 
  44  4.219  8.044  1 U  8.33e+07        0 e 0   29   36 
  45  4.219  7.768  1 U  3.52e+07        0 e 0   29   31 
  46  4.101  8.322  1 U  4.36e+06        0 e 0   35   45 
  47  4.111  8.256  1 U   8.8e+07        0 e 0   35   43 
  48  4.111  8.043  1 U   3.1e+07        0 e 0   35   36 
  49  4.108  7.213  1 U  3.17e+06        0 e 0   35   41 
  50  4.365  6.681  1 U   5.3e+06        0 e 0   14   18 
  51  3.317  8.084  1 U  2.82e+07        0 e 0   21   26 
  52  3.316  7.766  1 U  9.81e+06        0 e 0   21   31 
  53  3.316  7.568  1 U  2.32e+07        0 e 0   21   24 
  54  3.314  7.259  1 U  1.43e+07        0 e 0   21   22 
  55  3.243  8.321  1 U  9.85e+06        0 e 0   40   45 
  56  3.240  8.256  1 U  1.83e+07        0 e 0   40   43 
  57  3.241  8.083  1 U  3.87e+07        0 e 0   20   26 
  58  3.244  7.766  1 U  1.14e+07        0 e 0   20   31 
  59  3.240  7.567  1 U   1.7e+07        0 e 0   20   24 
  60  3.241  7.258  1 U   2.3e+07        0 e 0   20   22 
  61  3.244  7.217  1 U   1.3e+07        0 e 0   40   41 
  62  3.244  6.912  1 U  4.05e+06        0 e 0   20   17 
  63  3.033  8.321  1 U  6.42e+06        0 e 0   39   45 
  64  3.029  8.257  1 U  3.39e+07        0 e 0   39   43 
  65  3.028  7.217  1 U  1.03e+07        0 e 0   39   41 
  66  2.832  8.488  1 U  6.35e+07        0 e 0   16   15 
  67  2.838  8.083  1 U  2.27e+07        0 e 0   16   26 
  68  2.835  6.919  1 U  1.12e+08        0 e 0   16   17 
  69  2.834  6.681  1 U  9.04e+06        0 e 0   16   18 
  70  2.592  8.720  1 U  1.81e+07        0 e 0   10   13 
  71  2.592  8.486  1 U  6.47e+06        0 e 0   10   15 
  72  2.591  7.634  1 U  1.59e+07        0 e 0   10   12 
  73  2.594  7.219  1 U  8.26e+06        0 e 0   10   41 
  74  2.592  7.057  1 U  6.55e+06        0 e 0   10   11 
  75  2.510  8.719  1 U  1.47e+07        0 e 0    9   13 
  76  2.514  8.487  1 U   8.5e+06        0 e 0    9   15 
  77  2.512  7.633  1 U  9.23e+06        0 e 0    9   12 
  78  3.243  7.057  1 U  2.56e+06        0 e 0   20   11 
  79  3.794  8.081  1 U  2.52e+06        0 e 0   57   56 
  80  3.763  8.101  1 U  4.29e+06        0 e 0    1    5 
  81  1.829  8.503  1 U  2.24e+07        0 e 0   49   54 
  82  1.828  8.469  1 U  1.22e+07        0 e 0   49   50 
  83  1.808  8.718  1 U  9.95e+06        0 e 0    2   13 
  84  1.766  8.499  1 U  6.62e+06        0 e 0   48   54 
  85  1.758  8.469  1 U  2.26e+07        0 e 0   48   50 
  86  1.506  8.322  1 U  7.61e+06        0 e 0   32   45 
  87  1.498  8.257  1 U  3.62e+06        0 e 0   32   43 
  88  1.502  8.044  1 U  2.16e+07        0 e 0   32   36 
  89  1.500  7.767  1 U  7.87e+07        0 e 0   32   31 
  90  1.503  6.687  1 U  7.93e+06        0 e 0   32   18 
  91  1.449  8.472  1 U  1.85e+07        0 e 0   52   50 
  92  1.398  8.544  1 U  7.61e+06        0 e 0   55   42 
  93  1.402  8.501  1 U  1.11e+07        0 e 0   55   54 
  94  1.378  8.469  1 U  9.66e+06        0 e 0   46   50 
  95  1.379  8.321  1 U  3.86e+07        0 e 0   46   45 
  96  1.287  8.318  1 U  4.92e+06        0 e 0   37   45 
  97  1.282  8.257  1 U  1.82e+07        0 e 0   37   43 
  98  1.280  8.044  1 U  5.12e+07        0 e 0   37   36 
  99  1.282  7.221  1 U  9.88e+06        0 e 0   37   41 
 100  1.290  6.675  1 U  4.65e+06        0 e 0   37   18 
 101  1.276  8.542  1 U  8.31e+06        0 e 0   37   42 
 102  0.922  8.044  1 U  4.68e+06        0 e 0   34   36 
 103  0.853  8.042  1 U  3.18e+06        0 e 0   33   36 
 104  0.858  7.764  1 U  8.37e+06        0 e 0   33   31 
 105  0.848  7.254  1 U   4.4e+06        0 e 0   33   22 
 106  0.848  6.683  1 U  3.55e+06        0 e 0    6   18 
 107  0.767  8.719  1 U  3.36e+06        0 e 0    7   13 
 108  0.770  6.920  1 U  4.31e+06        0 e 0    7   17 
 109  0.766  6.693  1 U  4.68e+06        0 e 0    7   18 
 110  4.683  2.593  1 U   4.1e+07        0 e 0    8   10 
 111  4.684  2.523  1 U  6.22e+07        0 e 0    8    9 
 112  4.598  3.316  1 U  5.67e+07        0 e 0   19   21 
 113  4.602  3.249  1 U  6.47e+07        0 e 0   19   20 
 114  4.602  3.226  1 U  2.71e+07        0 e 0   38   40 
 115  4.601  3.043  1 U  1.62e+07        0 e 0   38   39 
 116  4.601  3.018  1 U  2.19e+07        0 e 0   19   39 
 117  4.590  2.816  1 U  5.33e+06        0 e 0   19   16 
 118  4.359  3.304  1 U   6.3e+06        0 e 0   14   21 
 119  4.357  2.837  1 U   9.6e+07        0 e 0   14   16 
 120  4.286  1.830  1 U  7.04e+07        0 e 0   47   49 
 121  4.279  1.759  1 U  2.44e+07        0 e 0   47   48 
 122  4.219  1.501  1 U  6.61e+07        0 e 0   29   32 
 123  4.355  1.397  1 U  2.76e+07        0 e 0   53   55 
 124  4.362  1.278  1 U  8.23e+06        0 e 0   14   37 
 125  4.279  1.432  1 U  9.94e+06        0 e 0   47   52 
 126  4.282  1.390  1 U  1.07e+07        0 e 0   44   55 
 127  4.287  1.369  1 U  2.34e+07        0 e 0   44   46 
 128  4.219  1.441  1 U  1.59e+07        0 e 0   29   30 
 129  4.213  1.278  1 U  6.72e+06        0 e 0   29   37 
 130  4.112  1.275  1 U  4.44e+07        0 e 0   35   37 
 131  4.219  0.917  1 U  1.34e+07        0 e 0   29   34 
 132  4.219  0.860  1 U  2.99e+07        0 e 0   29   33 
 133  3.740  1.805  1 U   2.2e+07        0 e 0    1    2 
 134  3.736  0.850  1 U  7.58e+06        0 e 0    1    6 
 135  3.739  0.763  1 U  1.33e+07        0 e 0    1    7 
 136  4.122  1.501  1 U  5.73e+06        0 e 0   35   32 
 137  4.597  1.503  1 U  7.49e+06        0 e 0   19   32 
 138  4.595  1.432  1 U  6.87e+06        0 e 0   19   52 
 139  4.597  4.108  1 U  9.74e+06        0 e 0   19   35 
 140  3.278  3.254  1 U  6.55e+09        0 e 0   21   20 
 141  3.238  3.026  1 U     4e+08        0 e 0   40   39 
 142  2.513  1.501  1 U  6.07e+06        0 e 0    9   32 
 143  2.561  2.539  1 U  6.85e+09        0 e 0   10    9 
 144  0.767  1.816  1 U  2.42e+07        0 e 0    7    2 
 145  1.441  1.847  1 U  4.58e+07        0 e 0   52   49 
 146  1.436  1.774  1 U  4.02e+07        0 e 0   52   48 
 147  1.669  1.426  1 U  7.79e+07        0 e 0   51   52 
 148  0.914  1.503  1 U  3.22e+07        0 e 0   34   32 
 149  0.849  1.502  1 U  1.91e+07        0 e 0   33   32 
 150  1.094  1.395  1 U  8.92e+07        0 e 0    3    4 
 151  0.856  1.100  1 U  7.84e+07        0 e 0    6    3 
 152  0.850  0.771  1 U  3.96e+07        0 e 0    6    7 
 153  1.114  1.804  1 U  3.87e+07        0 e 0    3    2 
 154  4.625  0.859  1 U  5.42e+07        0 e 0   19    6 
 155  6.682  8.543  1 U  6.57e+05        0 e 0   18   42 

  1 ILE  HN      1 ILE  HA      4.29   # peak     80
  1 ILE  HA      1 ILE  HB      3.27   # peak    133
  1 ILE  HA      1 ILE  QG2     5.35   # peak    135
  1 ILE  HA      1 ILE  QD1     6.00   # peak    134
#  1 ILE  HA      2 ASN  HN      2.77   # peak     24
  1 ILE  HB      1 ILE  QG2     4.76   # peak    144
  1 ILE  HB      1 ILE  HG12    3.30   # peak    153
  1 ILE  HB      2 ASN  HN      3.73   # peak     83
  1 ILE  QG2     1 ILE  QD1     6.38   # peak    152
  1 ILE  QG2     2 ASN  HN      6.53   # peak    107
  1 ILE  QG2     3 TYR  QD      8.67   # peak    108
  1 ILE  QG2     3 TYR  QE      8.66   # peak    109
  1 ILE  HG12    1 ILE  HG13    2.68   # peak    150
  1 ILE  HG12    1 ILE  QD1     3.80   # peak    151
  1 ILE  QD1     3 TYR  QE      8.66   # peak    106
  1 ILE  QD1     4 TRP  HA      4.08   # peak    154
  2 ASN  HN      2 ASN  HA      3.36   # peak     23
  2 ASN  HN      2 ASN  HB2     3.49   # peak     75
  2 ASN  HN      2 ASN  HB3     3.39   # peak     70
  2 ASN  HN      3 TYR  HN      4.07   # peak      4
  2 ASN  HA      2 ASN  HB2     2.74   # peak    111
  2 ASN  HA      2 ASN  HB3     2.96   # peak    110
#  2 ASN  HA      3 TYR  HN      2.59   # peak     25
  2 ASN  HA      4 TRP  HN      3.98   # peak     29
  2 ASN  HB2     2 ASN  HB3     2.40   # peak    143
  2 ASN  HB2     2 ASN  HD22    4.72   # peak     77
  2 ASN  HB2     3 TYR  HN      3.83   # peak     76
  2 ASN  HB2     5 LEU  QB      6.38   # peak    142
  2 ASN  HB3     2 ASN  HD21    5.16   # peak     74
  2 ASN  HB3     2 ASN  HD22    4.14   # peak     72
  2 ASN  HB3     3 TYR  HN      4.01   # peak     71
#  2 ASN  HB3     7 HIS+ HD2     4.88   # peak     73
  2 ASN  HD21    2 ASN  HD22    2.40   # peak     18
  2 ASN  HD21    4 TRP  HB2     5.50   # peak     78
  3 TYR  HN      3 TYR  HA      2.93   # peak     26
  3 TYR  HN      3 TYR  QB      3.96   # peak     66
  3 TYR  HN      3 TYR  QD      7.33   # peak      1
  3 TYR  HN      4 TRP  HN      2.68   # peak      6
  3 TYR  HA      3 TYR  QB      3.74   # peak    119
  3 TYR  HA      3 TYR  QD      6.21   # peak     41
  3 TYR  HA      3 TYR  QE      7.63   # peak     50
#  3 TYR  HA      4 TRP  HN      2.62   # peak     39
#  3 TYR  HA      4 TRP  HB3     4.04   # peak    118
  3 TYR  HA      6 ALA  HN      4.32   # peak     40
  3 TYR  HA      6 ALA  QB      5.91   # peak    124
  3 TYR  QB      3 TYR  QD      6.59   # peak     68
  3 TYR  QB      3 TYR  QE      8.51   # peak     69
  3 TYR  QB      4 TRP  HN      4.52   # peak     67
  3 TYR  QB      4 TRP  HA      5.51   # peak    117
  3 TYR  QD      3 TYR  QE      7.45   # peak     19
  3 TYR  QD      4 TRP  HN      7.64   # peak      8
  3 TYR  QD      4 TRP  HA      7.64   # peak     38
  3 TYR  QD      4 TRP  HB2     7.64   # peak     62
  3 TYR  QD      4 TRP  HE3     7.64   # peak     22
  3 TYR  QD      4 TRP  HH2     7.64   # peak     21
  3 TYR  QE      4 TRP  HZ3     7.54   # peak     20
  3 TYR  QE      5 LEU  QB      8.51   # peak     90
  3 TYR  QE      6 ALA  QB      8.66   # peak    100
  3 TYR  QE      7 HIS+ HE1     7.63   # peak    155
  4 TRP  HN      4 TRP  HA      3.08   # peak     32
  4 TRP  HN      4 TRP  HB2     2.99   # peak     57
  4 TRP  HN      4 TRP  HB3     3.14   # peak     51
#  4 TRP  HN      4 TRP  HD1     4.79   # peak      9
  4 TRP  HN      4 TRP  HE3     3.80   # peak     10
  4 TRP  HN      5 LEU  HN      2.83   # peak     11
  4 TRP  HA      4 TRP  HB2     2.74   # peak    113
  4 TRP  HA      4 TRP  HB3     2.80   # peak    112
  4 TRP  HA      4 TRP  HD1     4.17   # peak     36
  4 TRP  HA      4 TRP  HE3     3.67   # peak     35
#  4 TRP  HA      5 LEU  HN      2.65   # peak     34
#  4 TRP  HA      5 LEU  QB      5.26   # peak    137
  4 TRP  HA      6 ALA  HN      4.11   # peak     33
#  4 TRP  HA      6 ALA  HA      3.73   # peak    139
  4 TRP  HA      7 HIS+ HB2     3.27   # peak    116
#  4 TRP  HA      9 LYS+ QG      6.38   # peak    138
  4 TRP  HB2     4 TRP  HB3     2.40   # peak    140
  4 TRP  HB2     4 TRP  HD1     3.76   # peak     60
  4 TRP  HB2     4 TRP  HE3     4.07   # peak     59
  4 TRP  HB2     5 LEU  HN      3.64   # peak     58
  4 TRP  HB3     4 TRP  HD1     4.23   # peak     54
#  4 TRP  HB3     4 TRP  HE3     3.76   # peak     53
  4 TRP  HB3     5 LEU  HN      3.73   # peak     52
  4 TRP  HD1     4 TRP  HE1     3.64   # peak      2
  4 TRP  HD1     5 LEU  QD1     6.53   # peak    105
  4 TRP  HE3     4 TRP  HZ3     3.05   # peak     17
  4 TRP  HE1     4 TRP  HZ2     4.66   # peak      3
  4 TRP  HZ2     4 TRP  HH2     2.68   # peak     16
  5 LEU  HN      5 LEU  HA      3.02   # peak     45
  5 LEU  HN      5 LEU  QB      3.83   # peak     89
  5 LEU  HN      5 LEU  QD1     5.88   # peak    104
  5 LEU  HN      6 ALA  HN      3.14   # peak     12
  5 LEU  HN      7 HIS+ HN      4.29   # peak     13
  5 LEU  HA      5 LEU  QB      3.93   # peak    122
  5 LEU  HA      5 LEU  HG      4.14   # peak    128
  5 LEU  HA      5 LEU  QD1     4.54   # peak    132
  5 LEU  HA      5 LEU  QD2     5.35   # peak    131
#  5 LEU  HA      6 ALA  HN      2.62   # peak     44
  5 LEU  HA      6 ALA  QB      6.16   # peak    129
  5 LEU  HA      7 HIS+ HN      3.70   # peak     43
  5 LEU  QB      5 LEU  QD1     6.60   # peak    149
  5 LEU  QB      5 LEU  QD2     6.01   # peak    148
  5 LEU  QB      6 ALA  HN      4.55   # peak     88
  5 LEU  QB      6 ALA  HA      5.48   # peak    136
  5 LEU  QB      7 HIS+ HN      5.82   # peak     87
  5 LEU  QB      8 ALA  HN      5.26   # peak     86
  5 LEU  QD1     6 ALA  HN      6.53   # peak    103
  5 LEU  QD2     6 ALA  HN      6.53   # peak    102
  6 ALA  HN      6 ALA  HA      3.08   # peak     48
  6 ALA  HN      6 ALA  QB      4.11   # peak     98
  6 ALA  HN      7 HIS+ HN      2.40   # peak      7
  6 ALA  HA      6 ALA  QB      4.23   # peak    130
#  6 ALA  HA      7 HIS+ HN      2.59   # peak     47
  6 ALA  HA      7 HIS+ HD2     5.50   # peak     49
  6 ALA  HA      8 ALA  HN      4.29   # peak     46
  6 ALA  QB      7 HIS+ HN      5.01   # peak     97
  6 ALA  QB      7 HIS+ HD2     5.69   # peak     99
  6 ALA  QB      7 HIS+ HE1     5.88   # peak    101
  6 ALA  QB      8 ALA  HN      6.53   # peak     96
  7 HIS+ HN      7 HIS+ HA      2.99   # peak     31
  7 HIS+ HN      7 HIS+ HB2     3.05   # peak     64
#  7 HIS+ HN      7 HIS+ HB3     3.36   # peak     56
  7 HIS+ HN      7 HIS+ HD2     5.35   # peak     15
  7 HIS+ HA      7 HIS+ HB2     3.45   # peak    115
  7 HIS+ HA      7 HIS+ HB3     3.18   # peak    114
  7 HIS+ HA      7 HIS+ HD2     4.91   # peak     37
#  7 HIS+ HA      8 ALA  HN      2.71   # peak     30
  7 HIS+ HB2     7 HIS+ HB3     2.40   # peak    141
  7 HIS+ HB2     7 HIS+ HD2     4.60   # peak     65
  7 HIS+ HB2     8 ALA  HN      4.01   # peak     63
  7 HIS+ HB3     7 HIS+ HD2     4.35   # peak     61
#  7 HIS+ HB3     8 ALA  HN      3.73   # peak     55
  7 HIS+ HD2     7 HIS+ HE1     5.50   # peak     14
  7 HIS+ HE1    10 ALA  QB      6.00   # peak     92
  8 ALA  HN      8 ALA  HA      3.21   # peak     42
  8 ALA  HN      8 ALA  QB      4.33   # peak     95
  8 ALA  HN      9 LYS+ HN      3.39   # peak      5
  8 ALA  HA      8 ALA  QB      4.79   # peak    127
  8 ALA  HA     10 ALA  QB      5.60   # peak    126
  8 ALA  QB      9 LYS+ HN      5.72   # peak     94
  9 LYS+ HN      9 LYS+ HA      2.52   # peak     28
  9 LYS+ HN      9 LYS+ HB2     3.27   # peak     85
  9 LYS+ HN      9 LYS+ HB3     3.61   # peak     82
  9 LYS+ HN      9 LYS+ QG      5.60   # peak     91
  9 LYS+ HA      9 LYS+ HB2     3.21   # peak    121
  9 LYS+ HA      9 LYS+ HB3     2.71   # peak    120
  9 LYS+ HA      9 LYS+ QG      6.38   # peak    125
#  9 LYS+ HA     10 ALA  HN      2.77   # peak     27
  9 LYS+ HB2     9 LYS+ QG      4.76   # peak    146
  9 LYS+ HB2    10 ALA  HN      3.98   # peak     84
  9 LYS+ HB3     9 LYS+ QG      4.64   # peak    145
  9 LYS+ HB3    10 ALA  HN      3.27   # peak     81
  9 LYS+ QG      9 LYS+ QD      5.67   # peak    147
 10 ALA  HN     10 ALA  QB      5.54   # peak     93
 10 ALA  HA     10 ALA  QB      4.64   # peak    123
 11 GLY  HN     11 GLY  QA      6.13   # peak     79


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1          H         ILE   1   3.213  -8.437  -4.144
    2    HA   ILE   1           HA       ILE   1   2.115  -8.958  -1.944
    3    HB   ILE   1           HB       ILE   1   3.113  -6.813  -0.890
    4   1HG1  ILE   1          1HG1      ILE   1   4.844  -5.816  -2.514
    5   2HG1  ILE   1          2HG1      ILE   1   3.845  -6.466  -3.799
    6   1HG2  ILE   1          1HG2      ILE   1   4.534  -9.007  -2.358
    7   2HG2  ILE   1          2HG2      ILE   1   5.472  -7.718  -1.567
    8   3HG2  ILE   1          3HG2      ILE   1   4.363  -8.727  -0.609
    9   1HD1  ILE   1          1HD1      ILE   1   2.773  -4.653  -1.591
   10   2HD1  ILE   1          2HD1      ILE   1   3.304  -4.072  -3.188
   11   3HD1  ILE   1          3HD1      ILE   1   1.913  -5.175  -3.060
   12    H    ASN   2           H        ASN   2   0.878  -7.848  -0.159
   13    HA   ASN   2           HA       ASN   2  -1.287  -6.336  -1.391
   14   1HB   ASN   2          1HB       ASN   2  -1.445  -8.718   0.006
   15   2HB   ASN   2          2HB       ASN   2  -1.696  -7.573   1.308
   16   1HD2  ASN   2          1HD2      ASN   2  -3.106  -5.588   0.416
   17   2HD2  ASN   2          2HD2      ASN   2  -4.627  -6.056  -0.268
   18    H    TYR   3           H        TYR   3   1.406  -6.268   0.755
   19    HA   TYR   3           HA       TYR   3   0.506  -4.637   2.826
   20   1HB   TYR   3          1HB       TYR   3   2.669  -5.712   2.967
   21   2HB   TYR   3          2HB       TYR   3   3.100  -5.244   1.334
   22    HD1  TYR   3           1HD      TYR   3   2.628  -3.915   4.783
   23    HD2  TYR   3           2HD      TYR   3   4.344  -3.269   0.918
   24    HE1  TYR   3           1HE      TYR   3   3.945  -1.937   5.690
   25    HE2  TYR   3           2HE      TYR   3   5.655  -1.294   1.837
   26    HH   TYR   3           HH       TYR   3   5.525  -0.493   5.285
   27    H    TRP   4           H        TRP   4   1.012  -3.955  -0.560
   28    HA   TRP   4           HA       TRP   4   1.814  -1.318  -0.494
   29   1HB   TRP   4          1HB       TRP   4   0.947  -3.168  -2.404
   30   2HB   TRP   4          2HB       TRP   4  -0.165  -1.822  -2.551
   31    HD1  TRP   4           HD       TRP   4   0.689  -0.123  -4.328
   32    HE1  TRP   4           1HE      TRP   4   2.980   0.811  -5.246
   33    HE3  TRP   4           3HE      TRP   4   3.651  -2.888  -1.256
   34    HZ2  TRP   4           2HZ      TRP   4   5.712   0.301  -4.599
   35    HZ3  TRP   4           3HZ      TRP   4   6.119  -2.610  -1.463
   36    HH2  TRP   4           HH       TRP   4   7.158  -1.082  -3.063
   37    H    LEU   5           H        LEU   5  -1.249  -2.879   0.359
   38    HA   LEU   5           HA       LEU   5  -2.935  -0.674   0.122
   39   1HB   LEU   5          1HB       LEU   5  -3.060  -3.351   1.010
   40   2HB   LEU   5          2HB       LEU   5  -3.659  -2.366   2.330
   41    HG   LEU   5           HG       LEU   5  -5.300  -1.318   0.811
   42   1HD1  LEU   5          1HD1      LEU   5  -4.091  -1.491  -1.290
   43   2HD1  LEU   5          2HD1      LEU   5  -4.230  -3.266  -1.250
   44   3HD1  LEU   5          3HD1      LEU   5  -5.690  -2.263  -1.427
   45   1HD2  LEU   5          1HD2      LEU   5  -6.252  -3.041   2.019
   46   2HD2  LEU   5          2HD2      LEU   5  -6.609  -3.522   0.343
   47   3HD2  LEU   5          3HD2      LEU   5  -5.267  -4.292   1.224
   48    H    ALA   6           H        ALA   6  -0.273  -1.298   2.248
   49    HA   ALA   6           HA       ALA   6  -1.264   0.347   4.386
   50   1HB   ALA   6          1HB       ALA   6   1.468  -0.856   3.781
   51   2HB   ALA   6          2HB       ALA   6   1.028  -0.026   5.293
   52   3HB   ALA   6          3HB       ALA   6   0.217  -1.545   4.843
   53    H    HIS   7           H        HIS   7   0.132   0.830   1.269
   54    HA   HIS   7           HA       HIS   7   0.709   3.593   2.030
   55   1HB   HIS   7          1HB       HIS   7   2.381   1.821   0.228
   56   2HB   HIS   7          2HB       HIS   7   2.577   3.558   0.358
   57    HD1  HIS   7           1HD      HIS   7   3.241   4.460   2.858
   58    HD2  HIS   7           2HD      HIS   7   3.748   0.361   2.121
   59    HE1  HIS   7           1HE      HIS   7   4.802   3.593   4.681
   60    HE2  HIS   7           2HE      HIS   7   5.033   1.060   4.208
   61    H    ALA   8           H        ALA   8  -1.580   1.903   0.744
   62    HA   ALA   8           HA       ALA   8  -1.870   2.244  -1.899
   63   1HB   ALA   8          1HB       ALA   8  -4.289   3.120  -0.553
   64   2HB   ALA   8          2HB       ALA   8  -3.951   1.577  -1.374
   65   3HB   ALA   8          3HB       ALA   8  -3.528   1.784   0.343
   66    H    LYS   9           H        LYS   9  -3.411   4.695   0.273
   67    HA   LYS   9           HA       LYS   9  -3.760   6.661  -1.493
   68   1HB   LYS   9          1HB       LYS   9  -3.235   6.576   1.429
   69   2HB   LYS   9          2HB       LYS   9  -3.056   8.142   0.665
   70   1HG   LYS   9          1HG       LYS   9  -5.431   6.975  -0.433
   71   2HG   LYS   9          2HG       LYS   9  -5.497   6.695   1.296
   72   1HD   LYS   9          1HD       LYS   9  -5.423   9.013   1.811
   73   2HD   LYS   9          2HD       LYS   9  -4.732   9.439   0.258
   74   1HE   LYS   9          1HE       LYS   9  -7.265   8.135  -0.228
   75   2HE   LYS   9          2HE       LYS   9  -7.516   9.352   1.007
   76   1HZ   LYS   9          1HZ       LYS   9  -7.350   9.823  -1.629
   77   2HZ   LYS   9          2HZ       LYS   9  -7.189  10.955  -0.463
   78   3HZ   LYS   9          3HZ       LYS   9  -5.863  10.262  -1.118
   79    H    ALA  10           H        ALA  10  -0.668   5.949   0.240
   80    HA   ALA  10           HA       ALA  10   0.869   8.019  -0.495
   81   1HB   ALA  10          1HB       ALA  10   1.253   5.479   0.537
   82   2HB   ALA  10          2HB       ALA  10   2.185   5.426  -0.979
   83   3HB   ALA  10          3HB       ALA  10   2.536   6.676   0.238
   84    H    GLY  11           H        GLY  11   1.283   9.055  -2.376
   85   1HA   GLY  11          1HA       GLY  11   2.213   7.878  -4.691
   86   2HA   GLY  11          2HA       GLY  11   0.472   7.955  -4.876
  Start of MODEL    2
    1   1H    ILE   1          H         ILE   1   1.265  -9.153  -3.591
    2    HA   ILE   1           HA       ILE   1   1.982  -8.801  -1.333
    3    HB   ILE   1           HB       ILE   1   3.024  -6.483  -0.906
    4   1HG1  ILE   1          1HG1      ILE   1   4.530  -6.471  -3.344
    5   2HG1  ILE   1          2HG1      ILE   1   2.827  -6.399  -3.751
    6   1HG2  ILE   1          1HG2      ILE   1   4.212  -8.496  -0.421
    7   2HG2  ILE   1          2HG2      ILE   1   4.538  -8.792  -2.146
    8   3HG2  ILE   1          3HG2      ILE   1   5.311  -7.420  -1.317
    9   1HD1  ILE   1          1HD1      ILE   1   2.553  -4.526  -2.070
   10   2HD1  ILE   1          2HD1      ILE   1   4.318  -4.548  -1.837
   11   3HD1  ILE   1          3HD1      ILE   1   3.635  -4.124  -3.425
   12    H    ASN   2           H        ASN   2   0.616  -7.679   0.160
   13    HA   ASN   2           HA       ASN   2  -1.463  -6.187  -1.234
   14   1HB   ASN   2          1HB       ASN   2  -1.735  -8.483   0.285
   15   2HB   ASN   2          2HB       ASN   2  -2.001  -7.260   1.512
   16   1HD2  ASN   2          1HD2      ASN   2  -3.138  -5.243  -0.038
   17   2HD2  ASN   2          2HD2      ASN   2  -4.710  -5.729  -0.577
   18    H    TYR   3           H        TYR   3   1.151  -6.066   1.007
   19    HA   TYR   3           HA       TYR   3   0.215  -4.293   2.943
   20   1HB   TYR   3          1HB       TYR   3   2.336  -5.440   3.222
   21   2HB   TYR   3          2HB       TYR   3   2.857  -5.039   1.598
   22    HD1  TYR   3           1HD      TYR   3   2.442  -3.733   5.032
   23    HD2  TYR   3           2HD      TYR   3   3.983  -2.958   1.117
   24    HE1  TYR   3           1HE      TYR   3   3.763  -1.758   5.936
   25    HE2  TYR   3           2HE      TYR   3   5.300  -0.986   2.034
   26    HH   TYR   3           HH       TYR   3   6.071  -0.572   5.029
   27    H    TRP   4           H        TRP   4   0.989  -3.825  -0.449
   28    HA   TRP   4           HA       TRP   4   1.838  -1.218  -0.497
   29   1HB   TRP   4          1HB       TRP   4   1.017  -3.145  -2.338
   30   2HB   TRP   4          2HB       TRP   4  -0.070  -1.798  -2.609
   31    HD1  TRP   4           HD       TRP   4   0.881  -0.223  -4.450
   32    HE1  TRP   4           1HE      TRP   4   3.220   0.637  -5.317
   33    HE3  TRP   4           3HE      TRP   4   3.672  -2.814  -1.081
   34    HZ2  TRP   4           2HZ      TRP   4   5.915   0.148  -4.515
   35    HZ3  TRP   4           3HZ      TRP   4   6.150  -2.567  -1.192
   36    HH2  TRP   4           HH       TRP   4   7.275  -1.148  -2.833
   37    H    LEU   5           H        LEU   5  -1.359  -2.628   0.189
   38    HA   LEU   5           HA       LEU   5  -2.932  -0.385  -0.221
   39   1HB   LEU   5          1HB       LEU   5  -3.212  -2.997   0.777
   40   2HB   LEU   5          2HB       LEU   5  -3.805  -1.943   2.045
   41    HG   LEU   5           HG       LEU   5  -5.340  -0.869   0.416
   42   1HD1  LEU   5          1HD1      LEU   5  -4.755  -3.081  -1.533
   43   2HD1  LEU   5          2HD1      LEU   5  -5.581  -1.526  -1.792
   44   3HD1  LEU   5          3HD1      LEU   5  -3.816  -1.569  -1.568
   45   1HD2  LEU   5          1HD2      LEU   5  -6.483  -2.419   1.650
   46   2HD2  LEU   5          2HD2      LEU   5  -6.715  -3.088   0.017
   47   3HD2  LEU   5          3HD2      LEU   5  -5.476  -3.777   1.094
   48    H    ALA   6           H        ALA   6  -0.423  -0.988   2.100
   49    HA   ALA   6           HA       ALA   6  -1.461   0.815   4.078
   50   1HB   ALA   6          1HB       ALA   6   1.348  -0.308   3.759
   51   2HB   ALA   6          2HB       ALA   6   0.596   0.329   5.241
   52   3HB   ALA   6          3HB       ALA   6   0.010  -1.193   4.529
   53    H    HIS   7           H        HIS   7   0.129   1.070   1.022
   54    HA   HIS   7           HA       HIS   7   0.745   3.858   1.654
   55   1HB   HIS   7          1HB       HIS   7   2.464   1.945   0.050
   56   2HB   HIS   7          2HB       HIS   7   2.711   3.679   0.121
   57    HD1  HIS   7           1HD      HIS   7   3.347   4.680   2.556
   58    HD2  HIS   7           2HD      HIS   7   3.564   0.511   2.147
   59    HE1  HIS   7           1HE      HIS   7   4.735   3.840   4.525
   60    HE2  HIS   7           2HE      HIS   7   4.788   1.268   4.249
   61    H    ALA   8           H        ALA   8  -1.525   2.176   0.342
   62    HA   ALA   8           HA       ALA   8  -1.609   2.406  -2.351
   63   1HB   ALA   8          1HB       ALA   8  -3.715   1.725  -1.958
   64   2HB   ALA   8          2HB       ALA   8  -3.411   1.964  -0.221
   65   3HB   ALA   8          3HB       ALA   8  -4.126   3.276  -1.188
   66    H    LYS   9           H        LYS   9  -3.332   4.880  -0.348
   67    HA   LYS   9           HA       LYS   9  -3.584   6.802  -2.177
   68   1HB   LYS   9          1HB       LYS   9  -3.252   6.794   0.776
   69   2HB   LYS   9          2HB       LYS   9  -3.061   8.345  -0.017
   70   1HG   LYS   9          1HG       LYS   9  -5.328   8.492  -0.039
   71   2HG   LYS   9          2HG       LYS   9  -5.313   7.264  -1.289
   72   1HD   LYS   9          1HD       LYS   9  -6.411   5.868   0.117
   73   2HD   LYS   9          2HD       LYS   9  -4.998   5.841   1.152
   74   1HE   LYS   9          1HE       LYS   9  -5.992   8.187   2.006
   75   2HE   LYS   9          2HE       LYS   9  -7.493   7.526   1.390
   76   1HZ   LYS   9          1HZ       LYS   9  -6.931   5.505   2.728
   77   2HZ   LYS   9          2HZ       LYS   9  -5.758   6.380   3.453
   78   3HZ   LYS   9          3HZ       LYS   9  -7.320   6.836   3.591
   79    H    ALA  10           H        ALA  10  -0.612   6.185  -0.211
   80    HA   ALA  10           HA       ALA  10   0.945   8.257  -0.883
   81   1HB   ALA  10          1HB       ALA  10   2.654   6.940  -0.130
   82   2HB   ALA  10          2HB       ALA  10   1.319   5.849   0.314
   83   3HB   ALA  10          3HB       ALA  10   2.221   5.583  -1.198
   84    H    GLY  11           H        GLY  11   2.055   9.056  -2.658
   85   1HA   GLY  11          1HA       GLY  11   2.149   7.453  -5.097
   86   2HA   GLY  11          2HA       GLY  11   1.202   8.927  -5.154
  Start of MODEL    3
    1   1H    ILE   1          H         ILE   1   0.938  -8.434  -3.839
    2    HA   ILE   1           HA       ILE   1   1.538  -9.001  -1.203
    3    HB   ILE   1           HB       ILE   1   2.782  -6.808  -0.702
    4   1HG1  ILE   1          1HG1      ILE   1   4.397  -6.872  -3.053
    5   2HG1  ILE   1          2HG1      ILE   1   2.731  -6.690  -3.564
    6   1HG2  ILE   1          1HG2      ILE   1   4.917  -7.930  -0.811
    7   2HG2  ILE   1          2HG2      ILE   1   3.655  -9.099  -0.356
    8   3HG2  ILE   1          3HG2      ILE   1   4.294  -9.080  -2.018
    9   1HD1  ILE   1          1HD1      ILE   1   4.192  -4.565  -2.880
   10   2HD1  ILE   1          2HD1      ILE   1   2.460  -4.644  -2.474
   11   3HD1  ILE   1          3HD1      ILE   1   3.683  -5.024  -1.237
   12    H    ASN   2           H        ASN   2   0.281  -7.672   0.255
   13    HA   ASN   2           HA       ASN   2  -1.620  -6.041  -1.235
   14   1HB   ASN   2          1HB       ASN   2  -2.132  -8.257   0.355
   15   2HB   ASN   2          2HB       ASN   2  -2.342  -6.963   1.518
   16   1HD2  ASN   2          1HD2      ASN   2  -3.380  -4.924   0.163
   17   2HD2  ASN   2          2HD2      ASN   2  -4.919  -5.305  -0.534
   18    H    TYR   3           H        TYR   3   0.957  -6.079   1.033
   19    HA   TYR   3           HA       TYR   3   0.159  -4.205   2.930
   20   1HB   TYR   3          1HB       TYR   3   2.193  -5.470   3.255
   21   2HB   TYR   3          2HB       TYR   3   2.725  -5.198   1.608
   22    HD1  TYR   3           1HD      TYR   3   2.654  -3.855   5.013
   23    HD2  TYR   3           2HD      TYR   3   3.817  -3.075   0.971
   24    HE1  TYR   3           1HE      TYR   3   4.142  -1.951   5.801
   25    HE2  TYR   3           2HE      TYR   3   5.301  -1.173   1.772
   26    HH   TYR   3           HH       TYR   3   5.566  -0.432   5.240
   27    H    TRP   4           H        TRP   4   0.901  -3.851  -0.471
   28    HA   TRP   4           HA       TRP   4   1.956  -1.311  -0.565
   29   1HB   TRP   4          1HB       TRP   4   0.992  -3.209  -2.371
   30   2HB   TRP   4          2HB       TRP   4   0.012  -1.787  -2.668
   31    HD1  TRP   4           HD       TRP   4   1.081  -0.344  -4.551
   32    HE1  TRP   4           1HE      TRP   4   3.480   0.325  -5.424
   33    HE3  TRP   4           3HE      TRP   4   3.665  -3.032  -1.094
   34    HZ2  TRP   4           2HZ      TRP   4   6.129  -0.330  -4.590
   35    HZ3  TRP   4           3HZ      TRP   4   6.155  -2.962  -1.193
   36    HH2  TRP   4           HH       TRP   4   7.386  -1.671  -2.863
   37    H    LEU   5           H        LEU   5  -1.302  -2.483   0.216
   38    HA   LEU   5           HA       LEU   5  -2.733  -0.147  -0.256
   39   1HB   LEU   5          1HB       LEU   5  -3.185  -2.713   0.790
   40   2HB   LEU   5          2HB       LEU   5  -3.684  -1.603   2.051
   41    HG   LEU   5           HG       LEU   5  -5.206  -0.472   0.499
   42   1HD1  LEU   5          1HD1      LEU   5  -5.134  -0.666  -1.717
   43   2HD1  LEU   5          2HD1      LEU   5  -3.608  -1.555  -1.500
   44   3HD1  LEU   5          3HD1      LEU   5  -5.143  -2.445  -1.641
   45   1HD2  LEU   5          1HD2      LEU   5  -6.762  -2.447   0.082
   46   2HD2  LEU   5          2HD2      LEU   5  -5.481  -3.466   0.782
   47   3HD2  LEU   5          3HD2      LEU   5  -6.227  -2.177   1.758
   48    H    ALA   6           H        ALA   6  -0.249  -0.867   2.056
   49    HA   ALA   6           HA       ALA   6  -1.146   1.040   4.004
   50   1HB   ALA   6          1HB       ALA   6   1.687   0.167   3.991
   51   2HB   ALA   6          2HB       ALA   6   0.477   0.109   5.295
   52   3HB   ALA   6          3HB       ALA   6   0.497  -1.156   4.043
   53    H    HIS   7           H        HIS   7   0.406   1.137   0.926
   54    HA   HIS   7           HA       HIS   7   1.230   3.883   1.502
   55   1HB   HIS   7          1HB       HIS   7   2.773   1.821  -0.095
   56   2HB   HIS   7          2HB       HIS   7   3.139   3.535  -0.084
   57    HD1  HIS   7           1HD      HIS   7   3.814   4.557   2.364
   58    HD2  HIS   7           2HD      HIS   7   3.915   0.383   1.959
   59    HE1  HIS   7           1HE      HIS   7   5.216   3.684   4.309
   60    HE2  HIS   7           2HE      HIS   7   5.197   1.111   4.037
   61    H    ALA   8           H        ALA   8  -1.178   2.340   0.258
   62    HA   ALA   8           HA       ALA   8  -1.203   2.696  -2.480
   63   1HB   ALA   8          1HB       ALA   8  -3.002   1.990  -0.383
   64   2HB   ALA   8          2HB       ALA   8  -3.794   3.256  -1.352
   65   3HB   ALA   8          3HB       ALA   8  -3.216   1.766  -2.136
   66    H    LYS   9           H        LYS   9  -3.140   4.827  -0.293
   67    HA   LYS   9           HA       LYS   9  -3.500   6.894  -1.938
   68   1HB   LYS   9          1HB       LYS   9  -3.246   6.615   1.007
   69   2HB   LYS   9          2HB       LYS   9  -3.137   8.248   0.383
   70   1HG   LYS   9          1HG       LYS   9  -5.418   8.215   0.385
   71   2HG   LYS   9          2HG       LYS   9  -5.272   7.261  -1.078
   72   1HD   LYS   9          1HD       LYS   9  -5.648   5.218   0.047
   73   2HD   LYS   9          2HD       LYS   9  -5.127   5.852   1.595
   74   1HE   LYS   9          1HE       LYS   9  -7.178   7.308   1.671
   75   2HE   LYS   9          2HE       LYS   9  -7.704   6.628   0.144
   76   1HZ   LYS   9          1HZ       LYS   9  -8.178   5.604   2.612
   77   2HZ   LYS   9          2HZ       LYS   9  -8.448   4.851   1.188
   78   3HZ   LYS   9          3HZ       LYS   9  -7.048   4.601   1.992
   79    H    ALA  10           H        ALA  10  -0.531   6.303   0.038
   80    HA   ALA  10           HA       ALA  10   0.876   8.544  -0.377
   81   1HB   ALA  10          1HB       ALA  10   2.716   6.471  -0.877
   82   2HB   ALA  10          2HB       ALA  10   2.287   7.165   0.704
   83   3HB   ALA  10          3HB       ALA  10   1.431   5.725   0.103
   84    H    GLY  11           H        GLY  11   1.200   9.791  -2.144
   85   1HA   GLY  11          1HA       GLY  11   1.512   8.407  -4.742
   86   2HA   GLY  11          2HA       GLY  11   0.731   9.962  -4.531
  Start of MODEL    4
    1   1H    ILE   1          H         ILE   1   2.776  -8.393  -3.516
    2    HA   ILE   1           HA       ILE   1   1.207  -8.789  -1.792
    3    HB   ILE   1           HB       ILE   1   2.398  -7.281   0.069
    4   1HG1  ILE   1          1HG1      ILE   1   4.777  -6.919  -0.671
    5   2HG1  ILE   1          2HG1      ILE   1   4.252  -7.172  -2.324
    6   1HG2  ILE   1          1HG2      ILE   1   2.853  -9.859  -1.174
    7   2HG2  ILE   1          2HG2      ILE   1   4.368  -9.164  -0.548
    8   3HG2  ILE   1          3HG2      ILE   1   2.971  -9.376   0.535
    9   1HD1  ILE   1          1HD1      ILE   1   2.430  -5.297  -1.113
   10   2HD1  ILE   1          2HD1      ILE   1   4.093  -4.766  -0.764
   11   3HD1  ILE   1          3HD1      ILE   1   3.574  -5.019  -2.448
   12    H    ASN   2           H        ASN   2  -0.393  -7.986  -0.285
   13    HA   ASN   2           HA       ASN   2  -1.832  -5.840  -1.411
   14   1HB   ASN   2          1HB       ASN   2  -2.446  -8.043   0.185
   15   2HB   ASN   2          2HB       ASN   2  -2.581  -6.729   1.337
   16   1HD2  ASN   2          1HD2      ASN   2  -3.467  -4.648  -0.138
   17   2HD2  ASN   2          2HD2      ASN   2  -5.043  -4.951  -0.790
   18    H    TYR   3           H        TYR   3   0.814  -6.069   0.737
   19    HA   TYR   3           HA       TYR   3   0.220  -4.234   2.734
   20   1HB   TYR   3          1HB       TYR   3   2.230  -5.548   2.900
   21   2HB   TYR   3          2HB       TYR   3   2.640  -5.292   1.216
   22    HD1  TYR   3           1HD      TYR   3   4.745  -4.310   1.121
   23    HD2  TYR   3           2HD      TYR   3   1.919  -2.865   3.990
   24    HE1  TYR   3           1HE      TYR   3   6.364  -2.472   1.801
   25    HE2  TYR   3           2HE      TYR   3   3.548  -1.032   4.660
   26    HH   TYR   3           HH       TYR   3   6.815  -0.961   3.361
   27    H    TRP   4           H        TRP   4   0.824  -3.776  -0.698
   28    HA   TRP   4           HA       TRP   4   1.930  -1.268  -0.761
   29   1HB   TRP   4          1HB       TRP   4   0.827  -3.062  -2.576
   30   2HB   TRP   4          2HB       TRP   4  -0.163  -1.627  -2.752
   31    HD1  TRP   4           HD       TRP   4   0.790  -0.084  -4.619
   32    HE1  TRP   4           1HE      TRP   4   3.128   0.603  -5.630
   33    HE3  TRP   4           3HE      TRP   4   3.577  -2.983  -1.507
   34    HZ2  TRP   4           2HZ      TRP   4   5.821  -0.127  -5.029
   35    HZ3  TRP   4           3HZ      TRP   4   6.054  -2.938  -1.786
   36    HH2  TRP   4           HH       TRP   4   7.179  -1.574  -3.473
   37    H    LEU   5           H        LEU   5  -1.337  -2.361   0.125
   38    HA   LEU   5           HA       LEU   5  -2.703   0.033  -0.160
   39   1HB   LEU   5          1HB       LEU   5  -3.213  -2.543   0.754
   40   2HB   LEU   5          2HB       LEU   5  -3.517  -1.533   2.153
   41    HG   LEU   5           HG       LEU   5  -5.150  -0.222   0.929
   42   1HD1  LEU   5          1HD1      LEU   5  -3.964  -1.585  -1.408
   43   2HD1  LEU   5          2HD1      LEU   5  -5.736  -1.415  -1.435
   44   3HD1  LEU   5          3HD1      LEU   5  -4.706   0.026  -1.262
   45   1HD2  LEU   5          1HD2      LEU   5  -6.610  -2.371   0.159
   46   2HD2  LEU   5          2HD2      LEU   5  -5.390  -3.156   1.191
   47   3HD2  LEU   5          3HD2      LEU   5  -6.404  -1.848   1.848
   48    H    ALA   6           H        ALA   6  -0.123  -0.858   1.987
   49    HA   ALA   6           HA       ALA   6  -0.839   1.013   4.042
   50   1HB   ALA   6          1HB       ALA   6   1.950   0.003   3.800
   51   2HB   ALA   6          2HB       ALA   6   0.858   0.023   5.205
   52   3HB   ALA   6          3HB       ALA   6   0.686  -1.239   3.961
   53    H    HIS   7           H        HIS   7   0.532   1.168   0.885
   54    HA   HIS   7           HA       HIS   7   1.470   3.868   1.496
   55   1HB   HIS   7          1HB       HIS   7   2.896   1.806  -0.206
   56   2HB   HIS   7          2HB       HIS   7   3.304   3.510  -0.177
   57    HD1  HIS   7           1HD      HIS   7   4.076   4.464   2.280
   58    HD2  HIS   7           2HD      HIS   7   4.112   0.303   1.752
   59    HE1  HIS   7           1HE      HIS   7   5.541   3.520   4.143
   60    HE2  HIS   7           2HE      HIS   7   5.481   0.956   3.799
   61    H    ALA   8           H        ALA   8  -1.030   2.433   0.323
   62    HA   ALA   8           HA       ALA   8  -1.096   2.957  -2.424
   63   1HB   ALA   8          1HB       ALA   8  -2.993   1.804  -2.090
   64   2HB   ALA   8          2HB       ALA   8  -2.842   2.020  -0.330
   65   3HB   ALA   8          3HB       ALA   8  -3.703   3.235  -1.306
   66    H    LYS   9           H        LYS   9  -3.164   4.735  -0.060
   67    HA   LYS   9           HA       LYS   9  -3.641   6.928  -1.498
   68   1HB   LYS   9          1HB       LYS   9  -3.415   6.364   1.406
   69   2HB   LYS   9          2HB       LYS   9  -3.383   8.058   0.960
   70   1HG   LYS   9          1HG       LYS   9  -5.677   7.788   1.063
   71   2HG   LYS   9          2HG       LYS   9  -5.446   7.317  -0.609
   72   1HD   LYS   9          1HD       LYS   9  -4.976   4.925   0.747
   73   2HD   LYS   9          2HD       LYS   9  -6.231   5.662   1.723
   74   1HE   LYS   9          1HE       LYS   9  -6.897   6.018  -1.082
   75   2HE   LYS   9          2HE       LYS   9  -6.521   4.330  -0.801
   76   1HZ   LYS   9          1HZ       LYS   9  -8.700   4.438  -0.218
   77   2HZ   LYS   9          2HZ       LYS   9  -8.023   4.684   1.248
   78   3HZ   LYS   9          3HZ       LYS   9  -8.614   5.948   0.399
   79    H    ALA  10           H        ALA  10  -0.657   6.322   0.447
   80    HA   ALA  10           HA       ALA  10   0.607   8.677   0.296
   81   1HB   ALA  10          1HB       ALA  10   1.514   6.640   1.339
   82   2HB   ALA  10          2HB       ALA  10   1.791   5.928  -0.269
   83   3HB   ALA  10          3HB       ALA  10   2.709   7.366   0.238
   84    H    GLY  11           H        GLY  11   1.878   9.856  -1.201
   85   1HA   GLY  11          1HA       GLY  11   2.590  10.561  -3.220
   86   2HA   GLY  11          2HA       GLY  11   2.399   8.931  -3.834
  Start of MODEL    5
    1   1H    ILE   1          H         ILE   1   1.709  -8.834  -4.075
    2    HA   ILE   1           HA       ILE   1   1.250  -8.709  -1.921
    3    HB   ILE   1           HB       ILE   1   2.553  -6.972  -0.572
    4   1HG1  ILE   1          1HG1      ILE   1   4.638  -6.255  -2.028
    5   2HG1  ILE   1          2HG1      ILE   1   3.495  -6.353  -3.352
    6   1HG2  ILE   1          1HG2      ILE   1   3.791  -9.155  -2.241
    7   2HG2  ILE   1          2HG2      ILE   1   4.741  -8.230  -1.053
    8   3HG2  ILE   1          3HG2      ILE   1   3.329  -9.175  -0.522
    9   1HD1  ILE   1          1HD1      ILE   1   3.305  -4.613  -0.862
   10   2HD1  ILE   1          2HD1      ILE   1   3.387  -4.090  -2.561
   11   3HD1  ILE   1          3HD1      ILE   1   1.918  -4.884  -1.944
   12    H    ASN   2           H        ASN   2  -0.037  -7.530  -0.284
   13    HA   ASN   2           HA       ASN   2  -1.639  -5.525  -1.644
   14   1HB   ASN   2          1HB       ASN   2  -2.372  -7.833  -0.241
   15   2HB   ASN   2          2HB       ASN   2  -2.613  -6.582   0.962
   16   1HD2  ASN   2          1HD2      ASN   2  -2.952  -6.614  -2.581
   17   2HD2  ASN   2          2HD2      ASN   2  -4.611  -6.120  -2.650
   18    H    TYR   3           H        TYR   3   0.860  -5.919   0.633
   19    HA   TYR   3           HA       TYR   3   0.150  -4.268   2.742
   20   1HB   TYR   3          1HB       TYR   3   2.173  -5.558   2.895
   21   2HB   TYR   3          2HB       TYR   3   2.651  -5.164   1.255
   22    HD1  TYR   3           1HD      TYR   3   4.645  -3.994   1.183
   23    HD2  TYR   3           2HD      TYR   3   1.872  -3.131   4.324
   24    HE1  TYR   3           1HE      TYR   3   6.205  -2.197   2.076
   25    HE2  TYR   3           2HE      TYR   3   3.441  -1.337   5.207
   26    HH   TYR   3           HH       TYR   3   5.349  -0.355   4.994
   27    H    TRP   4           H        TRP   4   0.676  -3.486  -0.598
   28    HA   TRP   4           HA       TRP   4   1.803  -0.951  -0.374
   29   1HB   TRP   4          1HB       TRP   4   0.829  -2.616  -2.404
   30   2HB   TRP   4          2HB       TRP   4  -0.126  -1.152  -2.525
   31    HD1  TRP   4           HD       TRP   4   0.979   0.491  -4.215
   32    HE1  TRP   4           1HE      TRP   4   3.393   1.225  -4.987
   33    HE3  TRP   4           3HE      TRP   4   3.497  -2.639  -1.098
   34    HZ2  TRP   4           2HZ      TRP   4   6.026   0.431  -4.224
   35    HZ3  TRP   4           3HZ      TRP   4   5.989  -2.597  -1.175
   36    HH2  TRP   4           HH       TRP   4   7.251  -1.131  -2.668
   37    H    LEU   5           H        LEU   5  -1.363  -2.244   0.436
   38    HA   LEU   5           HA       LEU   5  -2.909   0.047   0.166
   39   1HB   LEU   5          1HB       LEU   5  -3.075  -2.555   1.491
   40   2HB   LEU   5          2HB       LEU   5  -3.948  -1.295   2.341
   41    HG   LEU   5           HG       LEU   5  -5.273  -0.803   0.363
   42   1HD1  LEU   5          1HD1      LEU   5  -3.974  -3.091  -1.105
   43   2HD1  LEU   5          2HD1      LEU   5  -5.021  -1.796  -1.734
   44   3HD1  LEU   5          3HD1      LEU   5  -3.354  -1.427  -1.230
   45   1HD2  LEU   5          1HD2      LEU   5  -5.716  -2.816   1.986
   46   2HD2  LEU   5          2HD2      LEU   5  -6.704  -2.594   0.522
   47   3HD2  LEU   5          3HD2      LEU   5  -5.387  -3.792   0.534
   48    H    ALA   6           H        ALA   6  -0.272  -0.684   2.304
   49    HA   ALA   6           HA       ALA   6  -1.128   1.115   4.375
   50   1HB   ALA   6          1HB       ALA   6   0.970   0.524   5.413
   51   2HB   ALA   6          2HB       ALA   6   0.280  -0.959   4.712
   52   3HB   ALA   6          3HB       ALA   6   1.609  -0.117   3.880
   53    H    HIS   7           H        HIS   7   0.317   1.354   1.243
   54    HA   HIS   7           HA       HIS   7   1.053   4.112   1.874
   55   1HB   HIS   7          1HB       HIS   7   2.658   2.150   0.213
   56   2HB   HIS   7          2HB       HIS   7   2.953   3.877   0.256
   57    HD1  HIS   7           1HD      HIS   7   3.596   4.872   2.731
   58    HD2  HIS   7           2HD      HIS   7   3.908   0.722   2.207
   59    HE1  HIS   7           1HE      HIS   7   5.065   4.019   4.635
   60    HE2  HIS   7           2HE      HIS   7   5.175   1.457   4.291
   61    H    ALA   8           H        ALA   8  -1.301   2.488   0.618
   62    HA   ALA   8           HA       ALA   8  -1.450   2.784  -2.076
   63   1HB   ALA   8          1HB       ALA   8  -3.405   2.879   0.197
   64   2HB   ALA   8          2HB       ALA   8  -3.982   3.344  -1.421
   65   3HB   ALA   8          3HB       ALA   8  -3.284   1.729  -1.155
   66    H    LYS   9           H        LYS   9  -3.099   5.189   0.073
   67    HA   LYS   9           HA       LYS   9  -3.427   7.169  -1.682
   68   1HB   LYS   9          1HB       LYS   9  -2.964   7.070   1.254
   69   2HB   LYS   9          2HB       LYS   9  -2.817   8.644   0.499
   70   1HG   LYS   9          1HG       LYS   9  -5.089   8.750   0.671
   71   2HG   LYS   9          2HG       LYS   9  -5.113   7.678  -0.715
   72   1HD   LYS   9          1HD       LYS   9  -4.706   6.233   1.835
   73   2HD   LYS   9          2HD       LYS   9  -6.212   7.129   1.800
   74   1HE   LYS   9          1HE       LYS   9  -6.485   6.049  -0.613
   75   2HE   LYS   9          2HE       LYS   9  -5.298   4.896  -0.036
   76   1HZ   LYS   9          1HZ       LYS   9  -7.071   3.899   0.818
   77   2HZ   LYS   9          2HZ       LYS   9  -7.006   5.017   2.007
   78   3HZ   LYS   9          3HZ       LYS   9  -8.023   5.223   0.746
   79    H    ALA  10           H        ALA  10  -0.376   6.498   0.141
   80    HA   ALA  10           HA       ALA  10   1.149   8.592  -0.537
   81   1HB   ALA  10          1HB       ALA  10   1.557   6.097   0.530
   82   2HB   ALA  10          2HB       ALA  10   2.471   5.979  -0.992
   83   3HB   ALA  10          3HB       ALA  10   2.851   7.266   0.177
   84    H    GLY  11           H        GLY  11   0.858   5.608  -2.604
   85   1HA   GLY  11          1HA       GLY  11   1.764   7.220  -4.893
   86   2HA   GLY  11          2HA       GLY  11   1.800   5.473  -4.760
  Start of MODEL    6
    1   1H    ILE   1          H         ILE   1   3.124  -8.086  -4.345
    2    HA   ILE   1           HA       ILE   1   2.298  -8.664  -1.881
    3    HB   ILE   1           HB       ILE   1   3.240  -6.355  -1.255
    4   1HG1  ILE   1          1HG1      ILE   1   4.653  -5.976  -3.707
    5   2HG1  ILE   1          2HG1      ILE   1   2.941  -6.002  -4.081
    6   1HG2  ILE   1          1HG2      ILE   1   5.572  -7.183  -2.206
    7   2HG2  ILE   1          2HG2      ILE   1   4.729  -8.047  -0.898
    8   3HG2  ILE   1          3HG2      ILE   1   4.629  -8.647  -2.571
    9   1HD1  ILE   1          1HD1      ILE   1   4.498  -4.057  -2.424
   10   2HD1  ILE   1          2HD1      ILE   1   3.093  -3.782  -3.482
   11   3HD1  ILE   1          3HD1      ILE   1   2.860  -4.449  -1.849
   12    H    ASN   2           H        ASN   2   0.958  -7.709  -0.233
   13    HA   ASN   2           HA       ASN   2  -1.261  -6.244  -1.427
   14   1HB   ASN   2          1HB       ASN   2  -1.332  -8.659  -0.066
   15   2HB   ASN   2          2HB       ASN   2  -1.634  -7.537   1.247
   16   1HD2  ASN   2          1HD2      ASN   2  -3.103  -5.589   0.346
   17   2HD2  ASN   2          2HD2      ASN   2  -4.603  -6.108  -0.346
   18    H    TYR   3           H        TYR   3   1.448  -6.121   0.685
   19    HA   TYR   3           HA       TYR   3   0.513  -4.573   2.805
   20   1HB   TYR   3          1HB       TYR   3   2.715  -5.555   2.919
   21   2HB   TYR   3          2HB       TYR   3   3.104  -5.079   1.278
   22    HD1  TYR   3           1HD      TYR   3   2.420  -3.574   4.644
   23    HD2  TYR   3           2HD      TYR   3   4.507  -3.248   0.923
   24    HE1  TYR   3           1HE      TYR   3   3.690  -1.555   5.525
   25    HE2  TYR   3           2HE      TYR   3   5.770  -1.231   1.816
   26    HH   TYR   3           HH       TYR   3   6.291  -0.537   4.636
   27    H    TRP   4           H        TRP   4   0.932  -3.802  -0.569
   28    HA   TRP   4           HA       TRP   4   1.647  -1.137  -0.451
   29   1HB   TRP   4          1HB       TRP   4   0.846  -2.975  -2.396
   30   2HB   TRP   4          2HB       TRP   4  -0.333  -1.682  -2.501
   31    HD1  TRP   4           HD       TRP   4   0.420   0.070  -4.273
   32    HE1  TRP   4           1HE      TRP   4   2.651   1.148  -5.181
   33    HE3  TRP   4           3HE      TRP   4   3.541  -2.549  -1.231
   34    HZ2  TRP   4           2HZ      TRP   4   5.408   0.792  -4.540
   35    HZ3  TRP   4           3HZ      TRP   4   5.989  -2.124  -1.436
   36    HH2  TRP   4           HH       TRP   4   6.934  -0.520  -3.020
   37    H    LEU   5           H        LEU   5  -1.327  -2.832   0.432
   38    HA   LEU   5           HA       LEU   5  -3.111  -0.696   0.242
   39   1HB   LEU   5          1HB       LEU   5  -3.125  -3.387   1.062
   40   2HB   LEU   5          2HB       LEU   5  -3.712  -2.469   2.434
   41    HG   LEU   5           HG       LEU   5  -5.465  -1.461   1.058
   42   1HD1  LEU   5          1HD1      LEU   5  -3.819  -2.209  -1.102
   43   2HD1  LEU   5          2HD1      LEU   5  -5.319  -3.152  -1.268
   44   3HD1  LEU   5          3HD1      LEU   5  -5.391  -1.377  -1.157
   45   1HD2  LEU   5          1HD2      LEU   5  -6.578  -3.768   0.370
   46   2HD2  LEU   5          2HD2      LEU   5  -5.217  -4.425   1.309
   47   3HD2  LEU   5          3HD2      LEU   5  -6.362  -3.296   2.072
   48    H    ALA   6           H        ALA   6  -0.372  -1.193   2.277
   49    HA   ALA   6           HA       ALA   6  -1.425   0.429   4.432
   50   1HB   ALA   6          1HB       ALA   6   0.208  -0.564   5.630
   51   2HB   ALA   6          2HB       ALA   6   0.478  -1.603   4.210
   52   3HB   ALA   6          3HB       ALA   6   1.452  -0.130   4.433
   53    H    HIS   7           H        HIS   7  -0.317   0.993   1.321
   54    HA   HIS   7           HA       HIS   7   0.311   3.721   2.030
   55   1HB   HIS   7          1HB       HIS   7   2.281   1.813   0.809
   56   2HB   HIS   7          2HB       HIS   7   2.308   3.497   0.323
   57    HD1  HIS   7           1HD      HIS   7   4.497   1.869   2.101
   58    HD2  HIS   7           2HD      HIS   7   1.706   4.694   3.452
   59    HE1  HIS   7           1HE      HIS   7   5.429   2.807   4.284
   60    HE2  HIS   7           2HE      HIS   7   3.697   4.577   5.038
   61    H    ALA   8           H        ALA   8  -1.799   1.952   0.639
   62    HA   ALA   8           HA       ALA   8  -1.846   2.057  -2.027
   63   1HB   ALA   8          1HB       ALA   8  -4.385   2.957  -1.388
   64   2HB   ALA   8          2HB       ALA   8  -3.846   1.261  -1.329
   65   3HB   ALA   8          3HB       ALA   8  -3.825   2.254   0.149
   66    H    LYS   9           H        LYS   9  -3.499   4.749  -0.259
   67    HA   LYS   9           HA       LYS   9  -3.473   6.514  -2.335
   68   1HB   LYS   9          1HB       LYS   9  -3.855   6.627   0.575
   69   2HB   LYS   9          2HB       LYS   9  -3.270   8.133  -0.102
   70   1HG   LYS   9          1HG       LYS   9  -5.114   8.205  -1.715
   71   2HG   LYS   9          2HG       LYS   9  -5.635   6.594  -1.266
   72   1HD   LYS   9          1HD       LYS   9  -7.111   8.079  -0.103
   73   2HD   LYS   9          2HD       LYS   9  -5.998   7.488   1.116
   74   1HE   LYS   9          1HE       LYS   9  -4.842   9.844  -0.120
   75   2HE   LYS   9          2HE       LYS   9  -6.491  10.213   0.345
   76   1HZ   LYS   9          1HZ       LYS   9  -6.039   9.722   2.535
   77   2HZ   LYS   9          2HZ       LYS   9  -4.703   8.844   2.205
   78   3HZ   LYS   9          3HZ       LYS   9  -4.667  10.470   2.062
   79    H    ALA  10           H        ALA  10  -0.902   5.844   0.087
   80    HA   ALA  10           HA       ALA  10   0.799   7.880  -0.248
   81   1HB   ALA  10          1HB       ALA  10   2.187   5.306  -0.489
   82   2HB   ALA  10          2HB       ALA  10   2.199   6.486   0.843
   83   3HB   ALA  10          3HB       ALA  10   0.899   5.274   0.740
   84    H    GLY  11           H        GLY  11   0.694   4.968  -2.429
   85   1HA   GLY  11          1HA       GLY  11   0.880   6.398  -4.810
   86   2HA   GLY  11          2HA       GLY  11   2.519   6.037  -4.305
  Start of MODEL    7
    1   1H    ILE   1          H         ILE   1   0.151  -4.032  -4.234
    2    HA   ILE   1           HA       ILE   1   0.709  -6.435  -3.806
    3    HB   ILE   1           HB       ILE   1   2.436  -5.492  -1.586
    4   1HG1  ILE   1          1HG1      ILE   1   4.399  -5.852  -3.315
    5   2HG1  ILE   1          2HG1      ILE   1   3.202  -5.328  -4.483
    6   1HG2  ILE   1          1HG2      ILE   1   2.498  -7.708  -1.381
    7   2HG2  ILE   1          2HG2      ILE   1   1.793  -7.959  -2.996
    8   3HG2  ILE   1          3HG2      ILE   1   3.547  -7.714  -2.819
    9   1HD1  ILE   1          1HD1      ILE   1   3.500  -3.175  -3.860
   10   2HD1  ILE   1          2HD1      ILE   1   3.045  -3.577  -2.187
   11   3HD1  ILE   1          3HD1      ILE   1   4.744  -3.703  -2.702
   12    H    ASN   2           H        ASN   2  -0.085  -7.461  -1.699
   13    HA   ASN   2           HA       ASN   2  -2.408  -6.266  -0.962
   14   1HB   ASN   2          1HB       ASN   2  -2.617  -8.027   0.643
   15   2HB   ASN   2          2HB       ASN   2  -1.563  -8.706  -0.582
   16   1HD2  ASN   2          1HD2      ASN   2   0.832  -8.159  -0.235
   17   2HD2  ASN   2          2HD2      ASN   2   1.457  -8.396   1.363
   18    H    TYR   3           H        TYR   3   0.850  -6.252   0.623
   19    HA   TYR   3           HA       TYR   3   0.026  -4.788   2.900
   20   1HB   TYR   3          1HB       TYR   3   2.062  -6.062   3.043
   21   2HB   TYR   3          2HB       TYR   3   2.561  -5.609   1.426
   22    HD1  TYR   3           1HD      TYR   3   2.100  -4.196   4.859
   23    HD2  TYR   3           2HD      TYR   3   4.146  -3.906   1.113
   24    HE1  TYR   3           1HE      TYR   3   3.630  -2.410   5.825
   25    HE2  TYR   3           2HE      TYR   3   5.669  -2.121   2.091
   26    HH   TYR   3           HH       TYR   3   5.979  -1.595   5.331
   27    H    TRP   4           H        TRP   4   0.809  -3.922  -0.413
   28    HA   TRP   4           HA       TRP   4   1.779  -1.344  -0.014
   29   1HB   TRP   4          1HB       TRP   4   1.146  -3.001  -2.172
   30   2HB   TRP   4          2HB       TRP   4   0.112  -1.601  -2.375
   31    HD1  TRP   4           HD       TRP   4   1.322  -0.029  -4.071
   32    HE1  TRP   4           1HE      TRP   4   3.737   0.949  -4.489
   33    HE3  TRP   4           3HE      TRP   4   3.592  -2.627  -0.335
   34    HZ2  TRP   4           2HZ      TRP   4   6.268   0.536  -3.238
   35    HZ3  TRP   4           3HZ      TRP   4   6.037  -2.281  -0.001
   36    HH2  TRP   4           HH       TRP   4   7.369  -0.764  -1.378
   37    H    LEU   5           H        LEU   5  -1.336  -2.795   0.556
   38    HA   LEU   5           HA       LEU   5  -3.047  -0.685   0.063
   39   1HB   LEU   5          1HB       LEU   5  -3.046  -3.061   1.865
   40   2HB   LEU   5          2HB       LEU   5  -4.261  -1.826   2.127
   41    HG   LEU   5           HG       LEU   5  -5.208  -2.141  -0.032
   42   1HD1  LEU   5          1HD1      LEU   5  -3.136  -2.313  -1.322
   43   2HD1  LEU   5          2HD1      LEU   5  -2.873  -3.957  -0.693
   44   3HD1  LEU   5          3HD1      LEU   5  -4.272  -3.618  -1.740
   45   1HD2  LEU   5          1HD2      LEU   5  -4.715  -4.506   1.665
   46   2HD2  LEU   5          2HD2      LEU   5  -6.241  -3.797   1.082
   47   3HD2  LEU   5          3HD2      LEU   5  -5.286  -4.855   0.015
   48    H    ALA   6           H        ALA   6  -0.548  -1.084   2.493
   49    HA   ALA   6           HA       ALA   6  -1.648   0.851   4.292
   50   1HB   ALA   6          1HB       ALA   6   1.217   0.390   4.529
   51   2HB   ALA   6          2HB       ALA   6  -0.093  -0.031   5.658
   52   3HB   ALA   6          3HB       ALA   6   0.338  -1.146   4.340
   53    H    HIS   7           H        HIS   7   0.076   0.898   1.275
   54    HA   HIS   7           HA       HIS   7   0.700   3.723   1.750
   55   1HB   HIS   7          1HB       HIS   7   2.203   1.722   0.039
   56   2HB   HIS   7          2HB       HIS   7   2.531   3.443   0.085
   57    HD1  HIS   7           1HD      HIS   7   3.475   4.418   2.401
   58    HD2  HIS   7           2HD      HIS   7   3.328   0.237   2.104
   59    HE1  HIS   7           1HE      HIS   7   4.958   3.516   4.272
   60    HE2  HIS   7           2HE      HIS   7   4.784   0.942   4.072
   61    H    ALA   8           H        ALA   8  -1.731   2.100   0.670
   62    HA   ALA   8           HA       ALA   8  -2.021   2.292  -2.018
   63   1HB   ALA   8          1HB       ALA   8  -3.801   2.421   0.363
   64   2HB   ALA   8          2HB       ALA   8  -4.497   3.029  -1.159
   65   3HB   ALA   8          3HB       ALA   8  -3.876   1.364  -1.067
   66    H    LYS   9           H        LYS   9  -3.577   4.816   0.046
   67    HA   LYS   9           HA       LYS   9  -3.885   6.722  -1.793
   68   1HB   LYS   9          1HB       LYS   9  -3.435   6.730   1.141
   69   2HB   LYS   9          2HB       LYS   9  -3.224   8.271   0.335
   70   1HG   LYS   9          1HG       LYS   9  -5.641   6.668  -0.449
   71   2HG   LYS   9          2HG       LYS   9  -5.648   7.359   1.161
   72   1HD   LYS   9          1HD       LYS   9  -4.719   9.262  -0.912
   73   2HD   LYS   9          2HD       LYS   9  -6.356   8.698  -1.183
   74   1HE   LYS   9          1HE       LYS   9  -7.178   9.696   0.750
   75   2HE   LYS   9          2HE       LYS   9  -5.682   9.475   1.636
   76   1HZ   LYS   9          1HZ       LYS   9  -4.717  11.268   0.470
   77   2HZ   LYS   9          2HZ       LYS   9  -5.967  11.387  -0.574
   78   3HZ   LYS   9          3HZ       LYS   9  -6.174  11.787   0.995
   79    H    ALA  10           H        ALA  10  -0.833   6.060   0.026
   80    HA   ALA  10           HA       ALA  10   0.727   8.102  -0.726
   81   1HB   ALA  10          1HB       ALA  10   2.396   6.764   0.030
   82   2HB   ALA  10          2HB       ALA  10   1.090   5.609   0.387
   83   3HB   ALA  10          3HB       ALA  10   2.011   5.469  -1.129
   84    H    GLY  11           H        GLY  11   0.519   5.043  -2.690
   85   1HA   GLY  11          1HA       GLY  11   0.951   6.722  -5.090
   86   2HA   GLY  11          2HA       GLY  11   1.703   5.157  -4.853
  Start of MODEL    8
    1   1H    ILE   1          H         ILE   1   0.435  -5.094  -4.801
    2    HA   ILE   1           HA       ILE   1   0.314  -6.838  -3.455
    3    HB   ILE   1           HB       ILE   1   2.256  -5.711  -1.507
    4   1HG1  ILE   1          1HG1      ILE   1   3.965  -6.511  -3.454
    5   2HG1  ILE   1          2HG1      ILE   1   2.701  -5.802  -4.440
    6   1HG2  ILE   1          1HG2      ILE   1   2.426  -7.865  -1.020
    7   2HG2  ILE   1          2HG2      ILE   1   1.312  -8.279  -2.345
    8   3HG2  ILE   1          3HG2      ILE   1   3.062  -8.176  -2.653
    9   1HD1  ILE   1          1HD1      ILE   1   2.823  -3.699  -3.124
   10   2HD1  ILE   1          2HD1      ILE   1   4.084  -4.418  -2.095
   11   3HD1  ILE   1          3HD1      ILE   1   4.409  -4.112  -3.818
   12    H    ASN   2           H        ASN   2  -0.500  -7.638  -1.331
   13    HA   ASN   2           HA       ASN   2  -2.649  -6.240  -0.509
   14   1HB   ASN   2          1HB       ASN   2  -2.834  -7.843   1.267
   15   2HB   ASN   2          2HB       ASN   2  -1.944  -8.687   0.016
   16   1HD2  ASN   2          1HD2      ASN   2   0.509  -8.267   0.111
   17   2HD2  ASN   2          2HD2      ASN   2   1.259  -8.438   1.663
   18    H    TYR   3           H        TYR   3   0.707  -6.301   0.855
   19    HA   TYR   3           HA       TYR   3   0.120  -4.606   3.047
   20   1HB   TYR   3          1HB       TYR   3   2.069  -6.029   3.158
   21   2HB   TYR   3          2HB       TYR   3   2.516  -5.686   1.498
   22    HD1  TYR   3           1HD      TYR   3   2.119  -3.848   4.753
   23    HD2  TYR   3           2HD      TYR   3   4.366  -4.333   1.144
   24    HE1  TYR   3           1HE      TYR   3   3.797  -2.115   5.555
   25    HE2  TYR   3           2HE      TYR   3   6.035  -2.598   1.959
   26    HH   TYR   3           HH       TYR   3   6.802  -1.719   4.126
   27    H    TRP   4           H        TRP   4   0.737  -4.074  -0.367
   28    HA   TRP   4           HA       TRP   4   1.923  -1.575  -0.298
   29   1HB   TRP   4          1HB       TRP   4   1.083  -3.306  -2.230
   30   2HB   TRP   4          2HB       TRP   4  -0.091  -2.016  -2.404
   31    HD1  TRP   4           HD       TRP   4   0.713  -0.352  -4.237
   32    HE1  TRP   4           1HE      TRP   4   2.966   0.709  -5.109
   33    HE3  TRP   4           3HE      TRP   4   3.743  -2.802  -0.970
   34    HZ2  TRP   4           2HZ      TRP   4   5.701   0.411  -4.353
   35    HZ3  TRP   4           3HZ      TRP   4   6.193  -2.360  -1.104
   36    HH2  TRP   4           HH       TRP   4   7.182  -0.817  -2.722
   37    H    LEU   5           H        LEU   5  -1.351  -2.681   0.461
   38    HA   LEU   5           HA       LEU   5  -2.767  -0.340   0.087
   39   1HB   LEU   5          1HB       LEU   5  -3.222  -2.888   1.095
   40   2HB   LEU   5          2HB       LEU   5  -3.562  -1.836   2.454
   41    HG   LEU   5           HG       LEU   5  -5.169  -0.565   1.075
   42   1HD1  LEU   5          1HD1      LEU   5  -5.283  -2.593  -1.066
   43   2HD1  LEU   5          2HD1      LEU   5  -5.480  -0.825  -1.135
   44   3HD1  LEU   5          3HD1      LEU   5  -3.849  -1.538  -1.093
   45   1HD2  LEU   5          1HD2      LEU   5  -6.116  -3.349   0.707
   46   2HD2  LEU   5          2HD2      LEU   5  -5.573  -2.910   2.344
   47   3HD2  LEU   5          3HD2      LEU   5  -6.865  -1.974   1.555
   48    H    ALA   6           H        ALA   6  -0.237  -1.120   2.363
   49    HA   ALA   6           HA       ALA   6  -1.017   0.834   4.303
   50   1HB   ALA   6          1HB       ALA   6   1.801  -0.038   4.234
   51   2HB   ALA   6          2HB       ALA   6   0.600  -0.153   5.543
   52   3HB   ALA   6          3HB       ALA   6   0.634  -1.382   4.255
   53    H    HIS   7           H        HIS   7   0.563   0.829   1.200
   54    HA   HIS   7           HA       HIS   7   1.351   3.602   1.695
   55   1HB   HIS   7          1HB       HIS   7   2.915   1.505   0.167
   56   2HB   HIS   7          2HB       HIS   7   3.275   3.219   0.140
   57    HD1  HIS   7           1HD      HIS   7   3.927   4.304   2.567
   58    HD2  HIS   7           2HD      HIS   7   4.042   0.121   2.267
   59    HE1  HIS   7           1HE      HIS   7   5.314   3.483   4.545
   60    HE2  HIS   7           2HE      HIS   7   5.304   0.904   4.338
   61    H    ALA   8           H        ALA   8  -1.048   2.030   0.489
   62    HA   ALA   8           HA       ALA   8  -0.997   2.402  -2.283
   63   1HB   ALA   8          1HB       ALA   8  -2.634   0.938  -1.461
   64   2HB   ALA   8          2HB       ALA   8  -3.135   2.062  -0.175
   65   3HB   ALA   8          3HB       ALA   8  -3.580   2.390  -1.866
   66    H    LYS   9           H        LYS   9  -3.271   4.225  -0.164
   67    HA   LYS   9           HA       LYS   9  -3.702   6.328  -1.744
   68   1HB   LYS   9          1HB       LYS   9  -3.695   5.905   1.189
   69   2HB   LYS   9          2HB       LYS   9  -3.662   7.579   0.674
   70   1HG   LYS   9          1HG       LYS   9  -5.558   6.080  -0.962
   71   2HG   LYS   9          2HG       LYS   9  -5.913   5.831   0.736
   72   1HD   LYS   9          1HD       LYS   9  -7.022   7.823   0.606
   73   2HD   LYS   9          2HD       LYS   9  -5.431   8.553   0.699
   74   1HE   LYS   9          1HE       LYS   9  -6.131   9.559  -1.262
   75   2HE   LYS   9          2HE       LYS   9  -5.472   8.096  -1.964
   76   1HZ   LYS   9          1HZ       LYS   9  -7.588   7.171  -2.117
   77   2HZ   LYS   9          2HZ       LYS   9  -8.271   8.268  -1.118
   78   3HZ   LYS   9          3HZ       LYS   9  -7.790   8.713  -2.614
   79    H    ALA  10           H        ALA  10  -0.854   5.908   0.437
   80    HA   ALA  10           HA       ALA  10   0.346   8.295   0.278
   81   1HB   ALA  10          1HB       ALA  10   1.359   6.523   1.508
   82   2HB   ALA  10          2HB       ALA  10   1.492   5.492   0.063
   83   3HB   ALA  10          3HB       ALA  10   2.521   6.936   0.225
   84    H    GLY  11           H        GLY  11   0.553   9.684  -1.405
   85   1HA   GLY  11          1HA       GLY  11   0.403   8.958  -4.097
   86   2HA   GLY  11          2HA       GLY  11   1.003  10.476  -3.459
  Start of MODEL    9
    1   1H    ILE   1          H         ILE   1   0.171  -8.658  -4.451
    2    HA   ILE   1           HA       ILE   1   1.923  -8.635  -2.308
    3    HB   ILE   1           HB       ILE   1   2.905  -6.871  -4.030
    4   1HG1  ILE   1          1HG1      ILE   1   2.871  -7.033  -1.064
    5   2HG1  ILE   1          2HG1      ILE   1   4.210  -7.161  -2.187
    6   1HG2  ILE   1          1HG2      ILE   1   1.090  -5.112  -2.371
    7   2HG2  ILE   1          2HG2      ILE   1   2.165  -4.647  -3.711
    8   3HG2  ILE   1          3HG2      ILE   1   0.707  -5.614  -4.035
    9   1HD1  ILE   1          1HD1      ILE   1   4.504  -5.084  -0.999
   10   2HD1  ILE   1          2HD1      ILE   1   3.951  -4.652  -2.635
   11   3HD1  ILE   1          3HD1      ILE   1   2.809  -4.616  -1.271
   12    H    ASN   2           H        ASN   2   1.028  -6.494  -0.804
   13    HA   ASN   2           HA       ASN   2  -1.743  -6.113  -1.198
   14   1HB   ASN   2          1HB       ASN   2  -1.953  -8.356  -0.264
   15   2HB   ASN   2          2HB       ASN   2  -0.769  -8.020   0.983
   16   1HD2  ASN   2          1HD2      ASN   2  -3.298  -5.832  -0.131
   17   2HD2  ASN   2          2HD2      ASN   2  -4.229  -5.784   1.329
   18    H    TYR   3           H        TYR   3   1.072  -6.243   1.076
   19    HA   TYR   3           HA       TYR   3   0.268  -4.431   2.965
   20   1HB   TYR   3          1HB       TYR   3   2.348  -5.595   3.266
   21   2HB   TYR   3          2HB       TYR   3   2.847  -5.312   1.611
   22    HD1  TYR   3           1HD      TYR   3   1.874  -3.051   4.456
   23    HD2  TYR   3           2HD      TYR   3   4.805  -4.082   1.515
   24    HE1  TYR   3           1HE      TYR   3   3.333  -1.115   5.221
   25    HE2  TYR   3           2HE      TYR   3   6.254  -2.142   2.290
   26    HH   TYR   3           HH       TYR   3   5.992  -0.712   5.106
   27    H    TRP   4           H        TRP   4   0.989  -3.877  -0.414
   28    HA   TRP   4           HA       TRP   4   1.957  -1.307  -0.391
   29   1HB   TRP   4          1HB       TRP   4   1.018  -3.137  -2.279
   30   2HB   TRP   4          2HB       TRP   4  -0.002  -1.728  -2.490
   31    HD1  TRP   4           HD       TRP   4   1.007  -0.234  -4.369
   32    HE1  TRP   4           1HE      TRP   4   3.375   0.567  -5.215
   33    HE3  TRP   4           3HE      TRP   4   3.700  -2.859  -0.947
   34    HZ2  TRP   4           2HZ      TRP   4   6.048   0.025  -4.377
   35    HZ3  TRP   4           3HZ      TRP   4   6.184  -2.667  -1.029
   36    HH2  TRP   4           HH       TRP   4   7.360  -1.287  -2.668
   37    H    LEU   5           H        LEU   5  -1.281  -2.610   0.311
   38    HA   LEU   5           HA       LEU   5  -2.777  -0.303  -0.005
   39   1HB   LEU   5          1HB       LEU   5  -3.141  -2.923   0.912
   40   2HB   LEU   5          2HB       LEU   5  -3.631  -1.903   2.251
   41    HG   LEU   5           HG       LEU   5  -5.277  -0.778   0.897
   42   1HD1  LEU   5          1HD1      LEU   5  -3.968  -2.233  -1.388
   43   2HD1  LEU   5          2HD1      LEU   5  -5.658  -1.685  -1.494
   44   3HD1  LEU   5          3HD1      LEU   5  -4.354  -0.504  -1.218
   45   1HD2  LEU   5          1HD2      LEU   5  -5.258  -3.717   1.140
   46   2HD2  LEU   5          2HD2      LEU   5  -6.463  -2.520   1.673
   47   3HD2  LEU   5          3HD2      LEU   5  -6.435  -3.061  -0.023
   48    H    ALA   6           H        ALA   6  -0.239  -1.047   2.242
   49    HA   ALA   6           HA       ALA   6  -1.165   0.747   4.282
   50   1HB   ALA   6          1HB       ALA   6   1.689  -0.120   4.113
   51   2HB   ALA   6          2HB       ALA   6   0.580  -0.102   5.505
   52   3HB   ALA   6          3HB       ALA   6   0.467  -1.401   4.293
   53    H    HIS   7           H        HIS   7   0.298   1.040   1.184
   54    HA   HIS   7           HA       HIS   7   1.049   3.780   1.866
   55   1HB   HIS   7          1HB       HIS   7   2.661   1.837   0.192
   56   2HB   HIS   7          2HB       HIS   7   2.959   3.562   0.254
   57    HD1  HIS   7           1HD      HIS   7   3.580   4.529   2.750
   58    HD2  HIS   7           2HD      HIS   7   3.902   0.387   2.172
   59    HE1  HIS   7           1HE      HIS   7   5.036   3.653   4.653
   60    HE2  HIS   7           2HE      HIS   7   5.153   1.096   4.276
   61    H    ALA   8           H        ALA   8  -1.314   2.214   0.585
   62    HA   ALA   8           HA       ALA   8  -1.426   2.562  -2.118
   63   1HB   ALA   8          1HB       ALA   8  -3.927   2.850  -1.680
   64   2HB   ALA   8          2HB       ALA   8  -3.171   1.408  -0.960
   65   3HB   ALA   8          3HB       ALA   8  -3.532   2.825   0.055
   66    H    LYS   9           H        LYS   9  -3.135   4.876   0.081
   67    HA   LYS   9           HA       LYS   9  -3.467   6.905  -1.617
   68   1HB   LYS   9          1HB       LYS   9  -3.060   6.711   1.319
   69   2HB   LYS   9          2HB       LYS   9  -2.895   8.313   0.627
   70   1HG   LYS   9          1HG       LYS   9  -5.200   8.238   1.033
   71   2HG   LYS   9          2HG       LYS   9  -5.140   7.727  -0.642
   72   1HD   LYS   9          1HD       LYS   9  -4.791   5.444   1.173
   73   2HD   LYS   9          2HD       LYS   9  -6.278   6.305   1.521
   74   1HE   LYS   9          1HE       LYS   9  -5.581   5.656  -1.357
   75   2HE   LYS   9          2HE       LYS   9  -6.242   4.398  -0.331
   76   1HZ   LYS   9          1HZ       LYS   9  -7.496   7.020  -0.768
   77   2HZ   LYS   9          2HZ       LYS   9  -7.944   5.633  -1.505
   78   3HZ   LYS   9          3HZ       LYS   9  -8.123   5.794   0.110
   79    H    ALA  10           H        ALA  10  -0.430   6.207   0.218
   80    HA   ALA  10           HA       ALA  10   1.078   8.342  -0.361
   81   1HB   ALA  10          1HB       ALA  10   2.610   5.946  -0.917
   82   2HB   ALA  10          2HB       ALA  10   2.639   6.990   0.524
   83   3HB   ALA  10          3HB       ALA  10   1.476   5.648   0.421
   84    H    GLY  11           H        GLY  11   1.772   9.420  -2.146
   85   1HA   GLY  11          1HA       GLY  11   2.780   8.459  -4.455
   86   2HA   GLY  11          2HA       GLY  11   1.054   8.381  -4.748
  Start of MODEL   10
    1   1H    ILE   1          H         ILE   1   0.665  -4.172  -4.930
    2    HA   ILE   1           HA       ILE   1   0.229  -6.174  -3.918
    3    HB   ILE   1           HB       ILE   1   2.120  -5.133  -1.849
    4   1HG1  ILE   1          1HG1      ILE   1   3.815  -5.645  -3.901
    5   2HG1  ILE   1          2HG1      ILE   1   2.474  -4.953  -4.791
    6   1HG2  ILE   1          1HG2      ILE   1   2.346  -7.320  -1.538
    7   2HG2  ILE   1          2HG2      ILE   1   1.364  -7.689  -2.975
    8   3HG2  ILE   1          3HG2      ILE   1   3.114  -7.410  -3.141
    9   1HD1  ILE   1          1HD1      ILE   1   2.854  -2.860  -3.970
   10   2HD1  ILE   1          2HD1      ILE   1   3.098  -3.462  -2.313
   11   3HD1  ILE   1          3HD1      ILE   1   4.441  -3.500  -3.481
   12    H    ASN   2           H        ASN   2  -0.013  -7.307  -1.591
   13    HA   ASN   2           HA       ASN   2  -2.445  -6.398  -0.643
   14   1HB   ASN   2          1HB       ASN   2  -2.336  -8.249   0.864
   15   2HB   ASN   2          2HB       ASN   2  -1.350  -8.767  -0.489
   16   1HD2  ASN   2          1HD2      ASN   2   0.991  -8.273  -0.362
   17   2HD2  ASN   2          2HD2      ASN   2   1.795  -8.434   1.163
   18    H    TYR   3           H        TYR   3   0.951  -6.180   0.606
   19    HA   TYR   3           HA       TYR   3   0.163  -4.778   2.978
   20   1HB   TYR   3          1HB       TYR   3   2.169  -6.097   3.111
   21   2HB   TYR   3          2HB       TYR   3   2.660  -5.673   1.482
   22    HD1  TYR   3           1HD      TYR   3   2.296  -4.235   4.914
   23    HD2  TYR   3           2HD      TYR   3   4.264  -3.993   1.123
   24    HE1  TYR   3           1HE      TYR   3   3.883  -2.478   5.841
   25    HE2  TYR   3           2HE      TYR   3   5.844  -2.237   2.063
   26    HH   TYR   3           HH       TYR   3   6.012  -0.700   3.770
   27    H    TRP   4           H        TRP   4   0.717  -3.932  -0.342
   28    HA   TRP   4           HA       TRP   4   1.833  -1.382   0.011
   29   1HB   TRP   4          1HB       TRP   4   1.166  -3.023  -2.113
   30   2HB   TRP   4          2HB       TRP   4   0.055  -1.680  -2.288
   31    HD1  TRP   4           HD       TRP   4   1.110  -0.044  -4.024
   32    HE1  TRP   4           1HE      TRP   4   3.456   1.043  -4.553
   33    HE3  TRP   4           3HE      TRP   4   3.668  -2.537  -0.406
   34    HZ2  TRP   4           2HZ      TRP   4   6.059   0.745  -3.423
   35    HZ3  TRP   4           3HZ      TRP   4   6.109  -2.081  -0.186
   36    HH2  TRP   4           HH       TRP   4   7.304  -0.505  -1.621
   37    H    LEU   5           H        LEU   5  -1.322  -2.763   0.620
   38    HA   LEU   5           HA       LEU   5  -2.968  -0.585   0.207
   39   1HB   LEU   5          1HB       LEU   5  -3.070  -3.151   1.487
   40   2HB   LEU   5          2HB       LEU   5  -3.848  -1.965   2.516
   41    HG   LEU   5           HG       LEU   5  -5.491  -1.456   0.924
   42   1HD1  LEU   5          1HD1      LEU   5  -5.246  -2.625  -1.445
   43   2HD1  LEU   5          2HD1      LEU   5  -4.532  -1.032  -1.100
   44   3HD1  LEU   5          3HD1      LEU   5  -3.514  -2.491  -1.056
   45   1HD2  LEU   5          1HD2      LEU   5  -6.617  -3.363   1.132
   46   2HD2  LEU   5          2HD2      LEU   5  -5.513  -4.221   0.031
   47   3HD2  LEU   5          3HD2      LEU   5  -5.117  -4.086   1.761
   48    H    ALA   6           H        ALA   6  -0.449  -1.130   2.588
   49    HA   ALA   6           HA       ALA   6  -1.457   0.790   4.454
   50   1HB   ALA   6          1HB       ALA   6   0.337   0.138   5.755
   51   2HB   ALA   6          2HB       ALA   6   0.193  -1.293   4.705
   52   3HB   ALA   6          3HB       ALA   6   1.422  -0.053   4.356
   53    H    HIS   7           H        HIS   7   0.222   0.865   1.413
   54    HA   HIS   7           HA       HIS   7   0.864   3.677   1.924
   55   1HB   HIS   7          1HB       HIS   7   2.463   1.672   0.309
   56   2HB   HIS   7          2HB       HIS   7   2.767   3.398   0.330
   57    HD1  HIS   7           1HD      HIS   7   3.519   4.434   2.717
   58    HD2  HIS   7           2HD      HIS   7   3.596   0.252   2.398
   59    HE1  HIS   7           1HE      HIS   7   4.952   3.595   4.655
   60    HE2  HIS   7           2HE      HIS   7   4.917   1.017   4.438
   61    H    ALA   8           H        ALA   8  -1.499   2.024   0.738
   62    HA   ALA   8           HA       ALA   8  -1.659   2.212  -1.964
   63   1HB   ALA   8          1HB       ALA   8  -4.180   3.009  -1.049
   64   2HB   ALA   8          2HB       ALA   8  -3.618   1.335  -1.274
   65   3HB   ALA   8          3HB       ALA   8  -3.485   2.112   0.322
   66    H    LYS   9           H        LYS   9  -3.322   4.710   0.055
   67    HA   LYS   9           HA       LYS   9  -3.603   6.617  -1.787
   68   1HB   LYS   9          1HB       LYS   9  -3.226   6.627   1.158
   69   2HB   LYS   9          2HB       LYS   9  -3.023   8.172   0.356
   70   1HG   LYS   9          1HG       LYS   9  -5.388   6.548  -0.514
   71   2HG   LYS   9          2HG       LYS   9  -5.453   7.178   1.120
   72   1HD   LYS   9          1HD       LYS   9  -5.062   9.476   0.293
   73   2HD   LYS   9          2HD       LYS   9  -4.856   8.884  -1.343
   74   1HE   LYS   9          1HE       LYS   9  -7.111   8.723  -1.695
   75   2HE   LYS   9          2HE       LYS   9  -7.392   7.967  -0.139
   76   1HZ   LYS   9          1HZ       LYS   9  -7.818   9.930   0.798
   77   2HZ   LYS   9          2HZ       LYS   9  -6.661  10.738  -0.022
   78   3HZ   LYS   9          3HZ       LYS   9  -8.104  10.442  -0.726
   79    H    ALA  10           H        ALA  10  -0.595   5.997   0.120
   80    HA   ALA  10           HA       ALA  10   0.957   8.059  -0.595
   81   1HB   ALA  10          1HB       ALA  10   2.574   6.753   0.286
   82   2HB   ALA  10          2HB       ALA  10   1.309   5.516   0.484
   83   3HB   ALA  10          3HB       ALA  10   2.351   5.501  -0.959
   84    H    GLY  11           H        GLY  11   0.845   4.989  -2.549
   85   1HA   GLY  11          1HA       GLY  11   0.321   6.084  -5.009
   86   2HA   GLY  11          2HA       GLY  11   2.053   6.263  -4.808