*HEADER    DE NOVO PROTEIN                         23-AUG-06   2DX3              
*TITLE     NMR STRUCTURE OF DP5_CONFORMATION1: MONOMERIC ALPHA-HELIX             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DP5_CONFORMATION1;                                         
*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 A STRATEGY.                                        
*KEYWDS    ALPHA-HELIX                                                           
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    A.TAMURA, M.ARAKI                                                     
*REVDAT   1   02-JAN-07 2DX3    0                                                

# Number of dimensions 2
   1  3.759  8.721  1 U  8.14e+07        0 e 0    1   12 
   2  4.710  8.720  1 U  2.14e+07        0 e 0    7   12 
   3  4.366  8.508  1 U  2.85e+07        0 e 0   13   14 
   4  4.575  8.134  1 U  1.52e+08        0 e 0   57   66 
   5  4.568  8.047  1 U  3.16e+07        0 e 0   18   33 
   6  4.575  8.008  1 U  3.68e+07        0 e 0   57   58 
   7  4.558  8.205  1 U  1.21e+08        0 e 0   35   42 
   8  3.979  7.969  1 U  2.53e+07        0 e 0   92   93 
   9  3.936  8.415  1 U  6.25e+07        0 e 0   55   56 
  10  3.938  8.009  1 U  4.48e+07        0 e 0   55   58 
  11  3.904  8.569  1 U  1.15e+08        0 e 0   69   79 
  12  3.904  8.233  1 U  3.48e+07        0 e 0   69   71 
  13  3.847  8.417  1 U  6.87e+07        0 e 0   54   56 
  14  3.847  8.008  1 U  4.55e+07        0 e 0   54   58 
  15  4.366  8.124  1 U  3.48e+07        0 e 0   13   24 
  16  4.278  8.198  1 U  5.46e+07        0 e 0   41   42 
  17  4.137  8.219  1 U  9.88e+07        0 e 0   32   40 
  18  4.079  8.233  1 U  1.03e+08        0 e 0   62   71 
  19  4.081  8.140  1 U  3.44e+07        0 e 0   62   66 
  20  4.274  8.420  1 U  1.93e+08        0 e 0   51   56 
  21  4.252  8.383  1 U  1.25e+08        0 e 0   44   52 
  22  4.280  8.018  1 U  3.64e+07        0 e 0   51   58 
  23  4.236  8.047  1 U  4.03e+07        0 e 0   26   33 
  24  4.238  7.818  1 U  2.46e+07        0 e 0   26   28 
  25  4.223  8.005  1 U  1.23e+08        0 e 0   88   90 
  26  4.205  7.969  1 U  5.65e+07        0 e 0   88   93 
  27  4.145  8.052  1 U   2.7e+07        0 e 0   32   33 
  28  4.102  8.017  1 U  4.41e+08        0 e 0   89   90 
  29  4.085  7.969  1 U  9.41e+06        0 e 0   89   93 
  30  4.697  8.568  1 U  4.39e+07        0 e 0   74   79 
  31  4.709  8.508  1 U  9.19e+07        0 e 0    7   14 
  32  4.695  8.403  1 U  1.31e+08        0 e 0   74   86 
  33  4.565  8.419  1 U  1.75e+07        0 e 0   35   47 
  34  4.559  8.385  1 U   1.5e+07        0 e 0   35   52 
  35  4.703  8.125  1 U  1.58e+07        0 e 0    7   24 
  36  4.686  8.002  1 U   7.7e+07        0 e 0   80   90 
  37  4.574  7.819  1 U  4.24e+07        0 e 0   18   28 
  38  3.837  8.141  1 U  7.85e+06        0 e 0   54   66 
  39  4.077  8.563  1 U  1.32e+07        0 e 0   62   79 
  40  3.921  8.139  1 U  1.06e+07        0 e 0   55   66 
  41  4.367  7.820  1 U  5.43e+06        0 e 0   13   28 
  42  4.101  8.424  1 U  1.86e+08        0 e 0   62   86 
  43  4.170  8.142  1 U  6.42e+06        0 e 0   32   66 
  44  4.364  8.047  1 U  4.02e+06        0 e 0   13   33 
  45  4.701  7.803  1 U  1.59e+07        0 e 0    7   28 
  46  4.569  8.474  1 U  7.48e+06        0 e 0   35   39 
  47  4.234  7.544  1 U  1.75e+07        0 e 0   88   85 
  48  4.708  7.660  1 U  9.46e+06        0 e 0    7   11 
  49  4.686  7.548  1 U  3.22e+07        0 e 0   80   85 
  50  4.573  7.543  1 U  4.26e+07        0 e 0   18   23 
  51  4.082  7.548  1 U  1.75e+07        0 e 0   89   85 
  52  4.704  6.627  1 U  3.51e+06        0 e 0    7   17 
  53  4.570  6.627  1 U  4.71e+06        0 e 0   18   17 
  54  4.365  6.628  1 U  8.89e+06        0 e 0   13   17 
  55  4.707  6.833  1 U  8.52e+06        0 e 0    7   16 
  56  4.573  6.833  1 U  1.19e+07        0 e 0   18   16 
  57  4.569  6.775  1 U  1.36e+07        0 e 0   57   61 
  58  4.365  6.833  1 U  2.91e+07        0 e 0   13   16 
  59  4.303  6.778  1 U  2.69e+07        0 e 0   26   61 
  60  4.080  6.775  1 U  3.29e+06        0 e 0   62   61 
  61  3.912  6.775  1 U  1.81e+07        0 e 0   69   61 
  62  4.698  7.240  1 U  1.91e+07        0 e 0   74   21 
  63  4.696  7.170  1 U  1.01e+07        0 e 0   80   77 
  64  4.701  7.054  1 U  9.11e+06        0 e 0    7   10 
  65  4.688  7.200  1 U  3.15e+07        0 e 0   80   83 
  66  4.576  7.239  1 U  1.92e+07        0 e 0   18   21 
  67  4.570  7.203  1 U  9.41e+06        0 e 0   18   83 
  68  4.564  7.129  1 U   2.5e+07        0 e 0   35   38 
  69  4.572  7.050  1 U  4.26e+07        0 e 0   57   60 
  70  4.367  7.238  1 U   3.4e+06        0 e 0   13   21 
  71  4.374  7.131  1 U  3.17e+06        0 e 0   13   38 
  72  4.269  7.129  1 U  8.18e+06        0 e 0   26   38 
  73  4.252  7.052  1 U  1.86e+07        0 e 0   26   60 
  74  4.135  7.129  1 U  2.28e+07        0 e 0   32   38 
  75  4.086  7.189  1 U  1.61e+07        0 e 0   89   83 
  76  4.061  7.047  1 U  2.13e+07        0 e 0   62   60 
  77  3.980  7.205  1 U  7.75e+06        0 e 0   92   83 
  78  3.909  7.051  1 U  1.43e+07        0 e 0   55   60 
  79  3.904  7.200  1 U  5.48e+06        0 e 0   69   83 
  80  3.904  7.171  1 U  7.47e+06        0 e 0   69   77 
  81  3.834  7.051  1 U  2.67e+06        0 e 0   54   60 
  82  4.223  7.204  1 U  1.29e+07        0 e 0   88   83 
  83  4.691  7.453  1 U  2.95e+06        0 e 0   80   87 
  84  4.570  7.452  1 U  4.95e+06        0 e 0   18   25 
  85  2.628  8.721  1 U  2.64e+07        0 e 0    9   12 
  86  2.629  8.507  1 U   1.3e+07        0 e 0    9   14 
  87  2.630  8.126  1 U  5.38e+06        0 e 0    9   24 
  88  2.628  7.660  1 U  2.34e+07        0 e 0    9   11 
  89  2.630  7.055  1 U  1.17e+07        0 e 0    9   10 
  90  2.548  8.721  1 U  2.36e+07        0 e 0    8   12 
  91  2.547  8.507  1 U  8.83e+06        0 e 0    8   14 
  92  2.545  8.124  1 U   4.1e+06        0 e 0    8   24 
  93  2.550  7.659  1 U  1.62e+07        0 e 0    8   11 
  94  2.547  7.054  1 U  1.02e+07        0 e 0    8   10 
  95  3.305  8.123  1 U  3.28e+07        0 e 0   20   24 
  96  3.258  8.403  1 U  1.94e+07        0 e 0   82   86 
  97  3.231  8.019  1 U  1.33e+08        0 e 0   82   90 
  98  3.231  8.124  1 U  4.32e+07        0 e 0   19   24 
  99  3.181  8.403  1 U  7.87e+07        0 e 0   81   86 
 100  3.203  8.212  1 U  6.41e+07        0 e 0   37   40 
 101  3.205  8.002  1 U  2.27e+07        0 e 0   81   90 
 102  3.135  8.569  1 U  3.28e+07        0 e 0   76   79 
 103  2.997  8.570  1 U  3.72e+07        0 e 0   75   79 
 104  2.986  8.403  1 U  2.16e+07        0 e 0   75   86 
 105  2.949  8.421  1 U  2.13e+07        0 e 0   59   47 
 106  2.956  8.214  1 U  8.33e+07        0 e 0   36   40 
 107  2.956  8.138  1 U  4.98e+07        0 e 0   59   66 
 108  2.956  8.008  1 U  9.32e+07        0 e 0   59   58 
 109  2.943  8.382  1 U   7.6e+06        0 e 0   59   52 
 110  2.778  8.507  1 U  7.17e+07        0 e 0   15   14 
 111  2.777  8.123  1 U  3.31e+07        0 e 0   15   24 
 112  3.303  7.818  1 U  1.85e+07        0 e 0   20   28 
 113  3.232  7.819  1 U  1.91e+07        0 e 0   19   28 
 114  3.242  7.545  1 U  1.22e+08        0 e 0   19   23 
 115  2.948  7.547  1 U  1.29e+07        0 e 0   36   23 
 116  2.961  7.450  1 U  1.76e+07        0 e 0   36   25 
 117  2.776  7.544  1 U  6.02e+06        0 e 0   15   23 
 118  3.304  7.239  1 U  3.15e+07        0 e 0   20   21 
 119  3.259  7.118  1 U  5.55e+07        0 e 0   20   38 
 120  3.254  7.200  1 U  2.79e+07        0 e 0   82   83 
 121  3.231  7.239  1 U  3.66e+07        0 e 0   19   21 
 122  3.212  7.055  1 U  1.85e+07        0 e 0   19   10 
 123  3.184  7.200  1 U  4.21e+07        0 e 0   81   83 
 124  3.206  7.129  1 U   1.6e+07        0 e 0   37   38 
 125  3.136  7.169  1 U   2.2e+07        0 e 0   76   77 
 126  2.992  7.170  1 U  1.77e+07        0 e 0   75   77 
 127  2.962  7.201  1 U  1.33e+07        0 e 0   59   83 
 128  2.956  7.130  1 U   2.4e+07        0 e 0   36   38 
 129  2.954  7.050  1 U   1.2e+08        0 e 0   59   60 
 130  2.953  6.825  1 U  1.06e+08        0 e 0   36   16 
 131  2.953  6.774  1 U  2.59e+07        0 e 0   59   61 
 132  2.958  6.633  1 U  4.87e+06        0 e 0   36   17 
 133  2.778  7.239  1 U  5.85e+06        0 e 0   15   21 
 134  2.779  7.131  1 U  3.96e+06        0 e 0   15   38 
 135  2.778  6.833  1 U  1.04e+08        0 e 0   15   16 
 136  2.778  6.627  1 U  3.37e+07        0 e 0   15   17 
 137  8.510  8.721  1 U  8.41e+06        0 e 0   14   12 
 138  8.232  8.569  1 U  1.92e+07        0 e 0   71   79 
 139  8.131  8.572  1 U  1.31e+07        0 e 0   24   79 
 140  8.123  8.508  1 U   2.4e+07        0 e 0   24   14 
 141  8.403  8.568  1 U  2.43e+07        0 e 0   86   79 
 142  8.198  8.421  1 U  2.81e+07        0 e 0   42   47 
 143  8.007  8.411  1 U  6.18e+07        0 e 0   58   56 
 144  7.818  8.123  1 U  2.27e+07        0 e 0   28   24 
 145  7.818  8.046  1 U  2.08e+07        0 e 0   28   33 
 146  8.012  8.139  1 U  3.81e+07        0 e 0   58   66 
 147  8.044  8.220  1 U  3.31e+07        0 e 0   33   40 
 148  7.238  8.124  1 U  1.57e+07        0 e 0   21   24 
 149  7.197  8.403  1 U  1.65e+07        0 e 0   83   86 
 150  7.194  8.000  1 U  1.02e+07        0 e 0   83   90 
 151  7.179  8.569  1 U  1.31e+07        0 e 0   77   79 
 152  7.166  8.533  1 U  6.11e+06        0 e 0   77   78 
 153  7.129  8.476  1 U  6.24e+06        0 e 0   38   39 
 154  7.122  8.414  1 U  3.48e+07        0 e 0   38   56 
 155  7.140  8.215  1 U  3.26e+07        0 e 0   38   40 
 156  7.114  8.126  1 U   1.6e+07        0 e 0   38   24 
 157  7.047  8.419  1 U  3.02e+06        0 e 0   60   56 
 158  7.046  8.385  1 U  1.49e+06        0 e 0   60   52 
 159  7.050  8.231  1 U  3.04e+06        0 e 0   60   71 
 160  7.046  8.138  1 U  6.71e+06        0 e 0   60   66 
 161  7.050  8.008  1 U  1.66e+07        0 e 0   60   58 
 162  6.832  8.507  1 U   1.5e+07        0 e 0   16   14 
 163  6.855  8.476  1 U  1.33e+07        0 e 0   16   39 
 164  6.833  8.123  1 U     1e+07        0 e 0   16   24 
 165  6.773  8.009  1 U  6.52e+06        0 e 0   61   58 
 166  6.629  8.507  1 U  5.06e+06        0 e 0   17   14 
 167  6.637  8.475  1 U  8.68e+06        0 e 0   17   39 
 168  6.628  8.124  1 U  3.88e+06        0 e 0   17   24 
 169  6.776  8.416  1 U  7.27e+06        0 e 0   61   47 
 170  7.134  8.006  1 U   1.4e+07        0 e 0   38   58 
 171  7.662  8.720  1 U  3.56e+06        0 e 0   11   12 
 172  7.653  8.505  1 U  3.17e+06        0 e 0   11   14 
 173  7.544  8.404  1 U  7.64e+06        0 e 0   85   86 
 174  7.541  8.123  1 U   9.5e+06        0 e 0   23   24 
 175  7.544  8.046  1 U  2.63e+06        0 e 0   23   33 
 176  7.549  8.002  1 U   7.1e+06        0 e 0   85   90 
 177  7.544  7.816  1 U  7.15e+06        0 e 0   23   28 
 178  7.238  7.816  1 U   8.6e+06        0 e 0   21   28 
 179  7.450 10.227  1 U   1.7e+07        0 e 0   25   22 
 180  7.451 10.140  1 U   1.8e+07        0 e 0   87   84 
 181  7.238 10.227  1 U  4.67e+07        0 e 0   21   22 
 182  7.199 10.140  1 U  4.91e+07        0 e 0   83   84 
 183  8.169  7.543  1 U  4.66e+07        0 e 0   40   23 
 184  8.223  7.450  1 U  6.89e+06        0 e 0   40   25 
 185  8.137  7.447  1 U   6.1e+06        0 e 0   66   25 
 186  8.004  7.447  1 U  8.18e+06        0 e 0   90   87 
 187  7.664  7.239  1 U  3.54e+06        0 e 0   11   21 
 188  8.058  7.239  1 U  5.74e+07        0 e 0   33   21 
 189  8.223  7.204  1 U  4.84e+06        0 e 0   71   83 
 190  8.124  7.204  1 U  5.76e+06        0 e 0   24   83 
 191  8.604  7.206  1 U  2.95e+08        0 e 0   79   83 
 192  8.403  7.191  1 U  9.53e+07        0 e 0   86   77 
 193  8.220  7.170  1 U  4.39e+06        0 e 0   71   77 
 194  8.010  7.170  1 U  6.17e+06        0 e 0   90   77 
 195  7.830  7.132  1 U  1.95e+06        0 e 0   28   38 
 196  7.811  7.056  1 U  7.87e+06        0 e 0   28   10 
 197  8.207  6.844  1 U  2.34e+08        0 e 0   40   16 
 198  8.547  6.771  1 U   5.4e+06        0 e 0   79   61 
 199  8.217  6.778  1 U  7.03e+06        0 e 0   40   61 
 200  8.138  6.774  1 U  7.02e+06        0 e 0   66   61 
 201  8.214  6.626  1 U  4.27e+06        0 e 0   40   17 
 202  6.831  6.627  1 U   3.4e+08        0 e 0   16   17 
 203  6.775  7.052  1 U  2.97e+08        0 e 0   61   60 
 204  7.542  7.239  1 U  1.04e+07        0 e 0   23   21 
 205  7.545  7.206  1 U  4.96e+07        0 e 0   85   83 
 206  7.449  7.237  1 U  1.95e+07        0 e 0   25   21 
 207  7.451  7.206  1 U     2e+08        0 e 0   87   83 
 208  7.659  7.054  1 U  1.93e+08        0 e 0   11   10 
 209  6.837  7.544  1 U  4.25e+06        0 e 0   16   23 
 210  6.630  7.545  1 U   2.2e+06        0 e 0   17   23 
 211  7.441  6.833  1 U  2.07e+06        0 e 0   25   16 
 212  7.445  6.629  1 U  3.36e+06        0 e 0   25   17 
 213  7.448  6.773  1 U  7.32e+06        0 e 0   87   61 
 214  7.216  6.627  1 U   3.1e+07        0 e 0   83   17 
 215  7.124  6.627  1 U  2.03e+06        0 e 0   38   17 
 216  6.855  7.237  1 U  1.37e+07        0 e 0   16   21 
 217  6.646  7.128  1 U  8.79e+06        0 e 0   17   38 
 218  7.228  6.833  1 U  5.81e+06        0 e 0   21   16 
 219  7.127  6.832  1 U   1.5e+07        0 e 0   38   16 
 220  7.130  6.771  1 U  5.92e+06        0 e 0   38   61 
 221  8.146  8.227  1 U  6.99e+07        0 e 0   66   71 
 222  1.813  8.721  1 U  1.24e+07        0 e 0    2   12 
 223  1.391  8.722  1 U  7.34e+06        0 e 0    4   12 
 224  1.096  8.721  1 U   5.7e+06        0 e 0    3   12 
 225  0.844  8.721  1 U  1.16e+07        0 e 0    5   12 
 226  0.769  8.719  1 U  7.24e+06        0 e 0    6   12 
 227  0.862  8.569  1 U   1.5e+07        0 e 0   73   79 
 228  0.853  8.413  1 U  4.64e+07        0 e 0   73   86 
 229  0.862  8.232  1 U  3.14e+07        0 e 0   73   71 
 230  0.840  8.131  1 U  3.23e+07        0 e 0   30   24 
 231  0.838  8.047  1 U  3.63e+07        0 e 0   30   33 
 232  0.859  8.007  1 U  7.79e+06        0 e 0   73   58 
 233  0.812  8.537  1 U  1.12e+08        0 e 0   67   78 
 234  0.826  8.233  1 U  1.11e+08        0 e 0   67   71 
 235  0.792  8.140  1 U  4.74e+06        0 e 0   67   66 
 236  0.796  8.008  1 U  4.27e+06        0 e 0   67   58 
 237  0.707  8.533  1 U   5.5e+06        0 e 0   68   78 
 238  0.708  8.233  1 U  4.02e+07        0 e 0   72   71 
 239  0.709  8.201  1 U  1.44e+06        0 e 0   68   42 
 240  0.703  8.569  1 U  2.79e+07        0 e 0   72   79 
 241  0.707  8.405  1 U  1.93e+07        0 e 0   72   86 
 242  1.855  8.569  1 U  2.15e+07        0 e 0   70   79 
 243  1.382  8.452  1 U  1.75e+08        0 e 0   43   39 
 244  1.266  8.508  1 U  6.61e+06        0 e 0   34   14 
 245  1.268  8.476  1 U   4.8e+06        0 e 0   34   39 
 246  1.813  8.422  1 U  3.33e+07        0 e 0   46   47 
 247  1.814  8.384  1 U  2.09e+07        0 e 0   46   52 
 248  1.724  8.421  1 U  4.35e+07        0 e 0   45   47 
 249  1.723  8.384  1 U  1.73e+07        0 e 0   45   52 
 250  1.632  8.421  1 U  1.15e+07        0 e 0   48   47 
 251  1.632  8.383  1 U  7.84e+06        0 e 0   48   52 
 252  1.435  8.421  1 U  2.05e+07        0 e 0   50   52 
 253  1.367  8.420  1 U  9.09e+07        0 e 0   43   47 
 254  1.374  8.383  1 U  9.67e+07        0 e 0   53   52 
 255  1.267  8.409  1 U   1.3e+07        0 e 0   34   47 
 256  1.855  8.233  1 U  4.15e+07        0 e 0   70   71 
 257  1.704  8.233  1 U  2.32e+07        0 e 0   63   71 
 258  1.710  8.198  1 U  8.16e+06        0 e 0   63   42 
 259  1.703  8.138  1 U  5.02e+07        0 e 0   63   66 
 260  1.710  8.010  1 U  8.07e+06        0 e 0   63   58 
 261  1.496  8.122  1 U   1.2e+07        0 e 0   29   24 
 262  1.494  8.047  1 U  3.69e+07        0 e 0   29   33 
 263  1.392  8.137  1 U  4.39e+07        0 e 0   65   66 
 264  1.359  8.200  1 U  9.83e+07        0 e 0   43   42 
 265  1.373  8.009  1 U  2.98e+07        0 e 0   53   58 
 266  1.344  8.063  1 U   3.1e+07        0 e 0   43   33 
 267  1.329  7.969  1 U  4.69e+07        0 e 0   94   93 
 268  1.266  8.216  1 U  4.77e+07        0 e 0   34   40 
 269  1.267  8.125  1 U  1.75e+07        0 e 0   34   24 
 270  1.265  8.047  1 U  6.47e+07        0 e 0   34   33 
 271  1.116  8.002  1 U  1.73e+07        0 e 0   91   90 
 272  1.120  7.969  1 U  1.38e+07        0 e 0   91   93 
 273  1.085  8.232  1 U  9.67e+06        0 e 0   64   71 
 274  1.088  8.138  1 U  2.32e+07        0 e 0   64   66 
 275  0.710  8.139  1 U  2.44e+07        0 e 0   68   66 
 276  0.710  8.005  1 U  1.15e+07        0 e 0   68   58 
 277  1.494  7.819  1 U  6.19e+07        0 e 0   29   28 
 278  1.368  7.836  1 U  2.01e+08        0 e 0   43   28 
 279  1.263  7.819  1 U  7.94e+06        0 e 0   34   28 
 280  0.907  7.819  1 U  4.22e+06        0 e 0   31   28 
 281  0.845  7.817  1 U  1.96e+07        0 e 0   30   28 
 282  1.478  7.660  1 U  1.24e+07        0 e 0   29   11 
 283  0.910  7.659  1 U  1.76e+07        0 e 0   31   11 
 284  1.473  7.543  1 U  1.71e+07        0 e 0   29   23 
 285  1.359  7.543  1 U  1.75e+07        0 e 0   43   23 
 286  1.266  7.544  1 U   3.7e+06        0 e 0   34   23 
 287  1.113  7.548  1 U   5.9e+06        0 e 0   91   85 
 288  0.847  7.545  1 U  2.78e+07        0 e 0   73   85 
 289  0.848  7.452  1 U  1.62e+07        0 e 0   73   87 
 290  0.704  7.548  1 U  1.43e+07        0 e 0   72   85 
 291  0.700  7.450  1 U  9.02e+06        0 e 0   72   87 
 292  1.863  7.200  1 U  1.28e+07        0 e 0   70   83 
 293  1.842  7.049  1 U  7.91e+06        0 e 0   70   60 
 294  1.711  7.191  1 U  1.09e+07        0 e 0   63   83 
 295  1.714  7.049  1 U  3.63e+06        0 e 0   63   60 
 296  1.626  7.045  1 U     1e+08        0 e 0   48   60 
 297  1.454  7.129  1 U  1.64e+07        0 e 0   29   38 
 298  1.477  7.054  1 U  1.74e+07        0 e 0   29   60 
 299  1.479  7.240  1 U  9.75e+06        0 e 0   27   21 
 300  1.357  7.123  1 U  2.75e+07        0 e 0   53   38 
 301  1.370  7.051  1 U  2.37e+07        0 e 0   53   60 
 302  1.347  7.204  1 U  4.12e+07        0 e 0   43   21 
 303  1.268  7.239  1 U  3.69e+06        0 e 0   34   21 
 304  1.264  7.170  1 U   4.3e+06        0 e 0   34   77 
 305  1.264  7.130  1 U  1.43e+07        0 e 0   34   38 
 306  1.115  7.203  1 U  8.41e+06        0 e 0   91   83 
 307  0.847  7.239  1 U  1.33e+07        0 e 0   30   21 
 308  0.846  7.204  1 U   2.5e+07        0 e 0   73   83 
 309  0.856  7.170  1 U  1.14e+07        0 e 0   73   77 
 310  0.855  7.126  1 U  1.78e+07        0 e 0   30   38 
 311  0.707  7.171  1 U  1.21e+07        0 e 0   72   77 
 312  0.698  7.112  1 U  7.35e+07        0 e 0   72   38 
 313  0.705  7.201  1 U  1.57e+07        0 e 0   72   83 
 314  0.865  7.053  1 U  1.92e+07        0 e 0   73   60 
 315  0.779  7.051  1 U  1.82e+07        0 e 0    6   10 
 316  0.707  7.049  1 U  6.16e+06        0 e 0   72   60 
 317  0.846  6.833  1 U  1.26e+07        0 e 0    5   16 
 318  0.858  6.775  1 U  1.81e+07        0 e 0   73   61 
 319  0.848  6.630  1 U  1.61e+07        0 e 0    5   17 
 320  0.774  6.831  1 U   5.3e+06        0 e 0    6   16 
 321  0.769  6.627  1 U   6.3e+06        0 e 0    6   17 
 322  0.705  6.776  1 U  9.15e+06        0 e 0   72   61 
 323  1.852  6.772  1 U  9.87e+06        0 e 0   70   61 
 324  1.796  6.641  1 U  5.98e+07        0 e 0    2   17 
 325  1.420  6.772  1 U  1.56e+07        0 e 0   50   61 
 326  1.368  6.777  1 U  1.44e+07        0 e 0   53   61 
 327  1.265  6.832  1 U  7.61e+06        0 e 0   34   16 
 328  1.260  6.629  1 U  5.26e+06        0 e 0   34   17 
 329  4.688  2.991  1 U  6.62e+07        0 e 0   74   75 
 330  4.707  2.779  1 U  2.23e+07        0 e 0    7   15 
 331  4.709  2.629  1 U  4.69e+07        0 e 0    7    9 
 332  4.709  2.550  1 U  3.91e+07        0 e 0    7    8 
 333  4.686  3.251  1 U  5.32e+07        0 e 0   80   82 
 334  4.686  3.188  1 U  5.49e+07        0 e 0   80   81 
 335  4.575  3.305  1 U  6.06e+07        0 e 0   18   20 
 336  4.568  2.958  1 U  1.75e+08        0 e 0   57   59 
 337  4.572  2.778  1 U  7.75e+06        0 e 0   18   15 
 338  4.565  3.218  1 U  1.35e+08        0 e 0   35   37 
 339  4.366  2.779  1 U  8.21e+07        0 e 0   13   15 
 340  4.696  3.138  1 U  5.82e+07        0 e 0   74   76 
 341  4.250  2.953  1 U   4.4e+07        0 e 0   44   49 
 342  3.933  2.957  1 U  1.39e+07        0 e 0   55   59 
 343  3.906  3.005  1 U  1.57e+07        0 e 0   69   75 
 344  3.845  2.960  1 U  1.22e+07        0 e 0   54   59 
 345  3.759  2.629  1 U  1.05e+07        0 e 0    1    9 
 346  3.761  2.553  1 U  1.06e+07        0 e 0    1    8 
 347  3.308  2.777  1 U  5.83e+06        0 e 0   20   15 
 348  3.227  2.778  1 U  1.27e+07        0 e 0   19   15 
 349  4.204  3.235  1 U  8.24e+07        0 e 0   88   82 
 350  4.157  3.231  1 U  1.24e+08        0 e 0   32   19 
 351  3.903  3.135  1 U  2.38e+07        0 e 0   69   76 
 352  4.142  2.947  1 U  1.26e+07        0 e 0   32   36 
 353  4.083  2.960  1 U  8.42e+06        0 e 0   62   59 
 354  3.202  2.955  1 U  2.07e+08        0 e 0   37   36 
 355  3.134  3.001  1 U  1.61e+08        0 e 0   76   75 
 356  3.938  3.852  1 U  3.29e+08        0 e 0   55   54 
 357  2.624  2.557  1 U  2.24e+08        0 e 0    9    8 
 358  4.705  3.760  1 U  6.23e+06        0 e 0    7    1 
 359  4.688  3.901  1 U  1.27e+07        0 e 0   80   69 
 360  4.685  4.081  1 U   4.9e+06        0 e 0   80   89 
 361  4.565  4.136  1 U  4.45e+06        0 e 0   35   32 
 362  4.572  4.083  1 U  6.99e+06        0 e 0   57   62 
 363  4.286  3.936  1 U  1.14e+07        0 e 0   41   55 
 364  4.275  3.868  1 U  3.52e+07        0 e 0   51   54 
 365  4.080  3.905  1 U  1.53e+07        0 e 0   62   69 
 366  3.758  1.813  1 U  2.91e+07        0 e 0    1    2 
 367  3.763  1.398  1 U  1.37e+07        0 e 0    1    4 
 368  3.763  1.096  1 U   1.2e+07        0 e 0    1    3 
 369  3.760  0.842  1 U  1.42e+07        0 e 0    1    5 
 370  3.759  0.775  1 U  1.94e+07        0 e 0    1    6 
 371  3.939  1.372  1 U  2.41e+07        0 e 0   55   53 
 372  3.904  1.857  1 U  4.51e+07        0 e 0   69   70 
 373  3.926  0.904  1 U  1.75e+08        0 e 0   69   31 
 374  3.905  0.862  1 U  4.37e+07        0 e 0   69   73 
 375  3.904  0.704  1 U  5.71e+07        0 e 0   69   72 
 376  3.846  1.376  1 U  1.44e+07        0 e 0   54   53 
 377  3.977  1.327  1 U  6.73e+07        0 e 0   92   94 
 378  3.968  0.780  1 U   1.8e+08        0 e 0   92    6 
 379  4.365  1.267  1 U  2.33e+07        0 e 0   13   34 
 380  4.361  0.771  1 U  5.28e+06        0 e 0   13    6 
 381  4.278  1.368  1 U  2.26e+08        0 e 0   51   53 
 382  4.276  0.799  1 U  7.45e+06        0 e 0   41   67 
 383  4.290  0.711  1 U  2.86e+07        0 e 0   41   68 
 384  4.233  1.815  1 U  6.44e+07        0 e 0   44   46 
 385  4.234  1.725  1 U  8.22e+07        0 e 0   44   45 
 386  4.228  1.636  1 U  4.67e+07        0 e 0   44   48 
 387  4.237  1.509  1 U  5.83e+07        0 e 0   26   29 
 388  4.241  1.445  1 U  1.12e+08        0 e 0   44   50 
 389  4.246  1.267  1 U  1.57e+07        0 e 0   26   34 
 390  4.241  0.897  1 U  2.42e+07        0 e 0   26   31 
 391  4.240  0.843  1 U  4.49e+07        0 e 0   26   30 
 392  4.225  1.363  1 U  5.15e+07        0 e 0   88   94 
 393  4.207  1.121  1 U  3.98e+07        0 e 0   88   91 
 394  4.229  0.800  1 U  5.03e+05        0 e 0   26   67 
 395  4.141  1.501  1 U  1.96e+07        0 e 0   32   29 
 396  4.139  1.267  1 U  8.51e+07        0 e 0   32   34 
 397  4.129  0.899  1 U  4.84e+06        0 e 0   32   31 
 398  4.164  0.834  1 U  2.27e+08        0 e 0   32   30 
 399  4.081  1.856  1 U  1.31e+07        0 e 0   62   70 
 400  4.083  1.706  1 U  4.26e+07        0 e 0   62   63 
 401  4.071  1.404  1 U  3.03e+07        0 e 0   62   65 
 402  4.105  1.360  1 U  2.43e+08        0 e 0   62   53 
 403  4.081  1.333  1 U     7e+06        0 e 0   89   94 
 404  4.088  1.121  1 U  5.11e+07        0 e 0   89   91 
 405  4.082  1.100  1 U  4.81e+07        0 e 0   62   64 
 406  4.079  0.862  1 U  1.13e+07        0 e 0   62   73 
 407  4.081  0.799  1 U  2.56e+07        0 e 0   62   67 
 408  4.081  0.714  1 U  5.73e+07        0 e 0   62   68 
 409  3.995  1.121  1 U   2.2e+07        0 e 0   92   91 
 410  4.702  1.265  1 U  4.31e+06        0 e 0    7   34 
 411  4.690  1.120  1 U  9.85e+06        0 e 0   80   91 
 412  4.702  0.898  1 U  3.41e+06        0 e 0    7   31 
 413  4.691  0.863  1 U   1.2e+07        0 e 0   80   73 
 414  4.701  0.840  1 U  5.93e+06        0 e 0    7   30 
 415  4.695  0.801  1 U   6.8e+06        0 e 0   74   67 
 416  4.702  0.775  1 U  6.48e+06        0 e 0    7    6 
 417  4.693  0.706  1 U  2.57e+07        0 e 0   80   72 
 418  4.570  1.709  1 U  1.61e+07        0 e 0   57   63 
 419  4.577  1.506  1 U  1.85e+06        0 e 0   18   29 
 420  4.560  1.450  1 U  7.01e+07        0 e 0   18   27 
 421  4.575  1.430  1 U  1.03e+07        0 e 0   57   50 
 422  4.572  0.897  1 U  6.33e+06        0 e 0   18   31 
 423  4.573  0.863  1 U  9.72e+06        0 e 0   18   73 
 424  4.569  0.840  1 U  8.82e+06        0 e 0   18   30 
 425  4.572  0.798  1 U  1.09e+07        0 e 0   57   67 
 426  4.576  0.713  1 U  1.29e+07        0 e 0   57   68 
 427  4.559  1.369  1 U   4.3e+07        0 e 0   35   43 
 428  4.560  1.266  1 U  1.71e+07        0 e 0   35   34 
 429  2.633  1.504  1 U  6.13e+06        0 e 0    9   29 
 430  2.631  0.898  1 U  4.34e+06        0 e 0    9   31 
 431  2.625  0.841  1 U  4.67e+06        0 e 0    9   30 
 432  2.552  1.504  1 U  5.41e+06        0 e 0    8   29 
 433  2.557  1.487  1 U  6.25e+07        0 e 0    8   27 
 434  2.546  0.896  1 U  1.48e+07        0 e 0    8   31 
 435  2.544  0.841  1 U  3.66e+06        0 e 0    8   30 
 436  2.776  1.267  1 U   1.3e+07        0 e 0   15   34 
 437  2.771  0.842  1 U  9.07e+06        0 e 0   15   30 
 438  2.780  0.775  1 U  5.53e+06        0 e 0   15    6 
 439  2.771  0.702  1 U  3.66e+06        0 e 0   15   72 
 440  2.621  0.775  1 U  3.04e+06        0 e 0    9    6 
 441  2.541  0.769  1 U  3.16e+06        0 e 0    8    6 
 442  3.284  0.845  1 U  3.23e+06        0 e 0   20   30 
 443  3.250  1.499  1 U  1.06e+08        0 e 0   19   29 
 444  3.250  1.121  1 U  6.47e+06        0 e 0   82   91 
 445  3.259  0.699  1 U  4.47e+06        0 e 0   82   68 
 446  3.209  1.366  1 U  2.71e+07        0 e 0   37   43 
 447  3.198  1.267  1 U  2.11e+07        0 e 0   37   34 
 448  3.232  0.897  1 U  8.82e+05        0 e 0   19   31 
 449  3.228  0.843  1 U  2.01e+06        0 e 0   19   30 
 450  3.220  0.717  1 U  1.47e+07        0 e 0   81   68 
 451  3.152  0.704  1 U  1.27e+07        0 e 0   76   68 
 452  3.124  1.121  1 U  1.06e+07        0 e 0   76   91 
 453  3.015  1.132  1 U  1.73e+08        0 e 0   75   91 
 454  2.956  1.370  1 U  2.65e+07        0 e 0   59   53 
 455  2.955  1.267  1 U  1.39e+07        0 e 0   36   34 
 456  2.952  0.895  1 U  8.66e+06        0 e 0   36   31 
 457  2.960  0.863  1 U  1.17e+07        0 e 0   59   73 
 458  2.949  0.842  1 U  1.07e+07        0 e 0   36   30 
 459  2.954  0.799  1 U  1.44e+07        0 e 0   59   67 
 460  2.961  0.710  1 U  1.93e+07        0 e 0   59   68 
 461  2.945  1.817  1 U  2.41e+07        0 e 0   49   46 
 462  2.946  1.716  1 U   3.5e+07        0 e 0   49   45 
 463  2.935  1.633  1 U  7.86e+07        0 e 0   49   48 
 464  2.942  1.415  1 U  8.78e+07        0 e 0   49   50 
 465  1.264  0.841  1 U   7.7e+06        0 e 0   34   30 
 466  1.266  0.774  1 U  1.33e+07        0 e 0   34   67 
 467  1.261  0.711  1 U  4.93e+06        0 e 0   34   68 
 468  1.254  0.896  1 U  2.76e+06        0 e 0   34   31 
 469  1.854  0.861  1 U  6.95e+07        0 e 0   70   73 
 470  1.854  0.699  1 U  6.69e+07        0 e 0   70   72 
 471  1.811  0.842  1 U  2.16e+07        0 e 0    2    5 
 472  1.813  0.772  1 U  4.58e+07        0 e 0    2    6 
 473  1.703  0.864  1 U  7.85e+06        0 e 0   63   73 
 474  1.703  0.799  1 U  4.99e+07        0 e 0   63   67 
 475  1.702  0.714  1 U  8.63e+07        0 e 0   63   68 
 476  1.811  1.401  1 U  1.08e+08        0 e 0    2    4 
 477  1.714  1.401  1 U  1.23e+08        0 e 0   63   65 
 478  1.631  1.416  1 U  1.37e+08        0 e 0   48   50 
 479  1.812  1.102  1 U  2.13e+07        0 e 0    2    3 
 480  1.702  1.087  1 U  3.27e+07        0 e 0   63   64 
 481  1.700  1.259  1 U  4.46e+07        0 e 0   63   34 
 482  1.398  1.087  1 U  2.76e+08        0 e 0   65   64 
 483  0.862  0.701  1 U  1.71e+08        0 e 0   73   72 
 484  1.092  0.838  1 U  5.61e+07        0 e 0    3    5 
 485  1.086  0.793  1 U  1.03e+08        0 e 0   64   67 
 486  1.086  0.715  1 U  5.71e+07        0 e 0   64   68 
 487  1.484  0.897  1 U   1.3e+08        0 e 0   29   31 
 488  1.488  0.842  1 U  1.03e+08        0 e 0   29   30 
 489  1.392  0.843  1 U  1.25e+08        0 e 0    4    5 
 490  1.394  0.796  1 U  1.19e+08        0 e 0   65   67 
 491  1.396  0.714  1 U  6.21e+07        0 e 0   65   68 
 492  1.359  0.896  1 U  1.99e+07        0 e 0   43   31 
 493  1.266  1.812  1 U  1.33e+07        0 e 0   34   46 
 494  1.264  1.644  1 U  1.38e+07        0 e 0   34   48 
 495  7.122  0.876  1 U  3.26e+08        0 e 0   38   31 
 496  3.978  7.453  1 U  3.16e+06        0 e 0   92   87 

   1    3.760  0.002     HA 1
   2    1.810  0.006     HB 1
   3    1.097  0.004   HG12 1
   4    1.395  0.004   HG13 1
   5    0.843  0.003    QD1 1
   6    0.774  0.004    QG2 1
   7    4.705  0.003     HA 2
   8    2.549  0.005    HB2 2
   9    2.628  0.003    HB3 2
  10    7.054  0.001   HD21 2
  11    7.660  0.003   HD22 2
  12    8.721  0.001     HN 2
  13    4.366  0.003     HA 3
  14    8.507  0.001     HN 3
  15    2.777  0.003     QB 3
  16    6.835  0.008     QD 3
  17    6.630  0.005     QE 3
  18    4.571  0.004     HA 4
  19    3.232  0.009    HB2 4
  20    3.295  0.017    HB3 4
  21    7.236  0.008    HD1 4
  22   10.227  0.000    HE1 4
  23    7.544  0.001    HE3 4
  24    8.125  0.002     HN 4
  25    7.448  0.003    HZ2 4
  26    4.249  0.021     HA 5
  27    1.472  0.016     HG 5
  28    7.819  0.007     HN 5
  29    1.491  0.015     QB 5
  30    0.842  0.004    QD1 5
  31    0.898  0.007    QD2 5
  32    4.145  0.012     HA 6
  33    8.049  0.005     HN 6
  34    1.265  0.003     QB 6
  35    4.563  0.004     HA 7
  36    2.954  0.004    HB2 7
  37    3.206  0.006    HB3 7
  38    7.127  0.006    HD2 7
  39    8.472  0.009    HE1 7
  40    8.211  0.014     HN 7
  41    4.282  0.006     HA 8
  42    8.200  0.003     HN 8
  43    1.362  0.010     QB 8
  44    4.240  0.009     HA 9
  45    1.722  0.004    HB2 9
  46    1.814  0.002    HB3 9
  47    8.419  0.004     HN 9
  48    1.633  0.005     QD 9
  49    2.944  0.006     QE 9
  50    1.427  0.011     QG 9
  51    4.277  0.002     HA 10
  52    8.388  0.012     HN 10
  53    1.369  0.006     QB 10
  54    3.847  0.010    HA1 11
  55    3.931  0.010    HA2 11
  56    8.416  0.003     HN 11
  57    4.572  0.003     HA 12
  58    8.009  0.003     HN 12
  59    2.956  0.005     QB 12
  60    7.050  0.002     QD 12
  61    6.774  0.002     QE 12
  62    4.082  0.009     HA 13
  63    1.706  0.005     HB 13
  64    1.088  0.005   HG12 13
  65    1.397  0.004   HG13 13
  66    8.139  0.003     HN 13
  67    0.799  0.011    QD1 13
  68    0.711  0.004    QG2 13
  69    3.906  0.006     HA 14
  70    1.854  0.005     HB 14
  71    8.230  0.004     HN 14
  72    0.704  0.003    QG1 14
  73    0.859  0.006    QG2 14
  74    4.695  0.003     HA 15
  75    2.998  0.009    HB2 15
  76    3.136  0.008    HB3 15
  77    7.172  0.006    HD2 15
  78    8.534  0.002    HE1 15
  79    8.570  0.011     HN 15
  80    4.689  0.003     HA 16
  81    3.196  0.015    HB2 16
  82    3.248  0.010    HB3 16
  83    7.201  0.005    HD1 16
  84   10.140  0.000    HE1 16
  85    7.547  0.002    HE3 16
  86    8.406  0.006     HN 16
  87    7.451  0.002    HZ2 16
  88    4.217  0.011     HA 17
  89    4.086  0.007     HB 17
  90    8.006  0.006     HN 17
  91    1.120  0.005    QG2 17
  92    3.980  0.008     HA 18
  93    7.969  0.000     HN 18
  94    1.338  0.015     QB 18

  1 ILE  HA      1 ILE  HB      3.49   # peak    366
  1 ILE  HA      1 ILE  QG2     5.63   # peak    370
  1 ILE  HA      1 ILE  HG12    5.19   # peak    368
  1 ILE  HA      1 ILE  HG13    5.03   # peak    367
  1 ILE  HA      1 ILE  QD1     6.00   # peak    369
#  1 ILE  HA      2 ASN  HN      2.93   # peak      1
  1 ILE  HA      2 ASN  HA      4.48   # peak    358
  1 ILE  HA      2 ASN  HB2     4.11   # peak    346
#  1 ILE  HA      2 ASN  HB3     4.11   # peak    345
  1 ILE  HB      1 ILE  QG2     4.76   # peak    472
  1 ILE  HB      1 ILE  HG12    4.51   # peak    479
  1 ILE  HB      1 ILE  HG13    3.02   # peak    476
  1 ILE  HB      1 ILE  QD1     5.54   # peak    471
  1 ILE  HB      2 ASN  HN      4.01   # peak    222
#  1 ILE  HB      3 TYR  QE      6.27   # peak    324
  1 ILE  QG2     2 ASN  HN      6.53   # peak    226
  1 ILE  QG2     2 ASN  HA      6.53   # peak    416
  1 ILE  QG2     2 ASN  HB2     6.53   # peak    441
  1 ILE  QG2     2 ASN  HB3     6.53   # peak    440
  1 ILE  QG2     2 ASN  HD21    5.72   # peak    315
#  1 ILE  QG2     3 TYR  HA      6.53   # peak    380
#  1 ILE  QG2     3 TYR  QB      7.40   # peak    438
#  1 ILE  QG2     3 TYR  QD      8.67   # peak    320
#  1 ILE  QG2     3 TYR  QE      8.66   # peak    321
#  1 ILE  QG2    18 ALA  HA      3.68   # peak    378
  1 ILE  HG12    1 ILE  QD1     4.57   # peak    484
  1 ILE  HG12    2 ASN  HN      5.50   # peak    224
  1 ILE  HG13    1 ILE  QD1     3.92   # peak    489
  1 ILE  HG13    2 ASN  HN      5.50   # peak    223
  1 ILE  QD1     2 ASN  HN      6.28   # peak    225
#  1 ILE  QD1     3 TYR  QD      8.67   # peak    317
#  1 ILE  QD1     3 TYR  QE      8.66   # peak    319
  2 ASN  HN      2 ASN  HA      3.67   # peak      2
  2 ASN  HN      2 ASN  HB2     3.61   # peak     90
#  2 ASN  HN      2 ASN  HB3     3.55   # peak     85
#  2 ASN  HN      2 ASN  HD22    5.50   # peak    171
  2 ASN  HN      3 TYR  HN      4.26   # peak    137
  2 ASN  HA      2 ASN  HB2     3.30   # peak    332
  2 ASN  HA      2 ASN  HB3     3.21   # peak    331
  2 ASN  HA      2 ASN  HD21    5.50   # peak     64
  2 ASN  HA      2 ASN  HD22    5.50   # peak     48
#  2 ASN  HA      3 TYR  HN      2.87   # peak     31
  2 ASN  HA      3 TYR  QB      4.95   # peak    330
  2 ASN  HA      3 TYR  QD      7.64   # peak     55
#  2 ASN  HA      3 TYR  QE      7.63   # peak     52
  2 ASN  HA      4 TRP  HN      3.86   # peak     35
#  2 ASN  HA      5 LEU  HN      3.86   # peak     45
#  2 ASN  HA      5 LEU  QD1     6.53   # peak    414
  2 ASN  HA      5 LEU  QD2     6.53   # peak    412
#  2 ASN  HA      6 ALA  QB      6.53   # peak    410
  2 ASN  HB2     2 ASN  HB3     2.52   # peak    357
  2 ASN  HB2     2 ASN  HD21    5.41   # peak     94
  2 ASN  HB2     2 ASN  HD22    4.82   # peak     93
  2 ASN  HB2     3 TYR  HN      4.23   # peak     91
  2 ASN  HB2     4 TRP  HN      4.82   # peak     92
  2 ASN  HB2     5 LEU  QB      6.38   # peak    432
#  2 ASN  HB2     5 LEU  HG      3.45   # peak    433
  2 ASN  HB2     5 LEU  QD1     6.53   # peak    435
  2 ASN  HB2     5 LEU  QD2     5.97   # peak    434
  2 ASN  HB3     2 ASN  HD21    5.22   # peak     89
  2 ASN  HB3     2 ASN  HD22    4.41   # peak     88
  2 ASN  HB3     3 TYR  HN      3.98   # peak     86
  2 ASN  HB3     4 TRP  HN      4.60   # peak     87
  2 ASN  HB3     5 LEU  QB      6.38   # peak    429
  2 ASN  HB3     5 LEU  QD1     6.53   # peak    431
  2 ASN  HB3     5 LEU  QD2     6.53   # peak    430
  2 ASN  HD21    2 ASN  HD22    2.62   # peak    208
#  2 ASN  HD21    4 TRP  HB2     4.66   # peak    122
  2 ASN  HD21    5 LEU  HN      5.50   # peak    196
  2 ASN  HD22    3 TYR  HN      5.50   # peak    172
#  2 ASN  HD22    4 TRP  HD1     5.50   # peak    187
  2 ASN  HD22    5 LEU  QB      6.38   # peak    282
  2 ASN  HD22    5 LEU  QD2     5.75   # peak    283
  3 TYR  HN      3 TYR  HA      3.49   # peak      3
  3 TYR  HN      3 TYR  QB      4.24   # peak    110
  3 TYR  HN      3 TYR  QD      7.64   # peak    162
  3 TYR  HN      3 TYR  QE      7.63   # peak    166
  3 TYR  HN      4 TRP  HN      3.58   # peak    140
  3 TYR  HN      6 ALA  QB      6.53   # peak    244
  3 TYR  HA      3 TYR  QB      4.14   # peak    339
  3 TYR  HA      3 TYR  QD      7.11   # peak     58
  3 TYR  HA      3 TYR  QE      7.63   # peak     54
#  3 TYR  HA      4 TRP  HN      3.36   # peak     15
#  3 TYR  HA      4 TRP  HD1     5.50   # peak     70
  3 TYR  HA      5 LEU  HN      4.60   # peak     41
  3 TYR  HA      6 ALA  HN      4.82   # peak     44
  3 TYR  HA      6 ALA  QB      5.44   # peak    379
  3 TYR  HA      7 HIS+ HD2     5.50   # peak     71
  3 TYR  QB      3 TYR  QD      7.31   # peak    135
  3 TYR  QB      3 TYR  QE      8.51   # peak    136
  3 TYR  QB      4 TRP  HN      4.70   # peak    111
  3 TYR  QB      4 TRP  HA      5.73   # peak    337
  3 TYR  QB      4 TRP  HB2     6.38   # peak    348
  3 TYR  QB      4 TRP  HB3     6.38   # peak    347
  3 TYR  QB      4 TRP  HD1     6.38   # peak    133
  3 TYR  QB      4 TRP  HE3     6.38   # peak    117
#  3 TYR  QB      5 LEU  QD1     7.40   # peak    437
  3 TYR  QB      6 ALA  QB      7.40   # peak    436
  3 TYR  QB      7 HIS+ HD2     6.38   # peak    134
#  3 TYR  QB     14 VAL  QG1     7.40   # peak    439
  3 TYR  QD      3 TYR  QE      7.48   # peak    202
  3 TYR  QD      4 TRP  HN      7.64   # peak    164
  3 TYR  QD      4 TRP  HA      7.64   # peak     56
  3 TYR  QD      4 TRP  HD1     7.64   # peak    216
  3 TYR  QD      4 TRP  HE3     7.64   # peak    209
  3 TYR  QD      4 TRP  HZ2     7.64   # peak    211
  3 TYR  QD      6 ALA  QB      8.67   # peak    327
  3 TYR  QD      7 HIS+ HN      5.10   # peak    197
  3 TYR  QD      7 HIS+ HB2     5.72   # peak    130
  3 TYR  QD      7 HIS+ HD2     7.64   # peak    219
  3 TYR  QD      7 HIS+ HE1     7.64   # peak    163
  3 TYR  QE      4 TRP  HN      7.63   # peak    168
  3 TYR  QE      4 TRP  HA      7.63   # peak     53
  3 TYR  QE      4 TRP  HE3     7.63   # peak    210
  3 TYR  QE      4 TRP  HZ2     7.63   # peak    212
  3 TYR  QE      6 ALA  QB      8.66   # peak    328
  3 TYR  QE      7 HIS+ HN      7.63   # peak    201
  3 TYR  QE      7 HIS+ HB2     7.63   # peak    132
  3 TYR  QE      7 HIS+ HD2     7.63   # peak    215
  3 TYR  QE      7 HIS+ HE1     7.63   # peak    167
#  3 TYR  QE     16 TRP  HD1     7.01   # peak    214
  4 TRP  HN      4 TRP  HB2     3.27   # peak     98
#  4 TRP  HN      4 TRP  HB3     3.42   # peak     95
  4 TRP  HN      4 TRP  HD1     4.88   # peak    148
  4 TRP  HN      4 TRP  HE3     5.50   # peak    174
  4 TRP  HN      5 LEU  HN      3.61   # peak    144
  4 TRP  HN      5 LEU  QB      5.38   # peak    261
  4 TRP  HN      5 LEU  QD1     5.10   # peak    230
  4 TRP  HN      6 ALA  QB      5.75   # peak    269
#  4 TRP  HN      7 HIS+ HD2     4.85   # peak    156
#  4 TRP  HN     15 HIS+ HN      3.98   # peak    139
#  4 TRP  HN     16 TRP  HD1     5.50   # peak    190
#  4 TRP  HA      4 TRP  HB3     3.08   # peak    335
#  4 TRP  HA      4 TRP  HD1     4.63   # peak     66
  4 TRP  HA      4 TRP  HE3     3.80   # peak     50
#  4 TRP  HA      4 TRP  HZ2     5.50   # peak     84
#  4 TRP  HA      5 LEU  HN      3.27   # peak     37
  4 TRP  HA      5 LEU  QB      6.38   # peak    419
#  4 TRP  HA      5 LEU  HG      3.36   # peak    420
  4 TRP  HA      5 LEU  QD1     6.53   # peak    424
#  4 TRP  HA      5 LEU  QD2     6.53   # peak    422
  4 TRP  HA      6 ALA  HN      3.42   # peak      5
#  4 TRP  HA     14 VAL  QG2     6.50   # peak    423
#  4 TRP  HA     16 TRP  HD1     5.50   # peak     67
  4 TRP  HB2     4 TRP  HD1     3.95   # peak    121
#  4 TRP  HB2     4 TRP  HE3     2.93   # peak    114
  4 TRP  HB2     5 LEU  HN      3.73   # peak    113
#  4 TRP  HB2     5 LEU  QB      4.45   # peak    443
  4 TRP  HB2     5 LEU  QD1     6.53   # peak    449
  4 TRP  HB2     5 LEU  QD2     6.53   # peak    448
#  4 TRP  HB2     6 ALA  HA      2.74   # peak    350
  4 TRP  HB3     4 TRP  HD1     4.11   # peak    118
  4 TRP  HB3     5 LEU  HN      3.73   # peak    112
  4 TRP  HB3     5 LEU  QD1     6.53   # peak    442
#  4 TRP  HB3     7 HIS+ HD2     3.55   # peak    119
  4 TRP  HD1     4 TRP  HE3     5.38   # peak    204
  4 TRP  HD1     4 TRP  HE1     3.70   # peak    181
#  4 TRP  HD1     4 TRP  HZ2     4.60   # peak    206
  4 TRP  HD1     5 LEU  HN      5.50   # peak    178
#  4 TRP  HD1     5 LEU  HG      5.47   # peak    299
  4 TRP  HD1     5 LEU  QD1     6.09   # peak    307
#  4 TRP  HD1     6 ALA  HN      3.52   # peak    188
#  4 TRP  HD1     6 ALA  QB      6.53   # peak    303
#  4 TRP  HD1     8 ALA  QB      4.85   # peak    302
#  4 TRP  HD1    15 HIS+ HA      4.63   # peak     62
  4 TRP  HE3     5 LEU  HN      5.50   # peak    177
#  4 TRP  HE3     5 LEU  QB      6.38   # peak    284
  4 TRP  HE3     6 ALA  HN      5.50   # peak    175
#  4 TRP  HE3     6 ALA  QB      6.53   # peak    286
#  4 TRP  HE3     7 HIS+ HN      3.70   # peak    183
  4 TRP  HE3     7 HIS+ HB2     5.10   # peak    115
  4 TRP  HE3     8 ALA  QB      5.75   # peak    285
  4 TRP  HE1     4 TRP  HZ2     4.76   # peak    179
#  4 TRP  HZ2     7 HIS+ HN      5.50   # peak    184
#  4 TRP  HZ2     7 HIS+ HB2     4.72   # peak    116
#  4 TRP  HZ2    13 ILE  HN      5.50   # peak    185
  5 LEU  HN      5 LEU  HA      3.58   # peak     24
  5 LEU  HN      5 LEU  QB      4.33   # peak    277
  5 LEU  HN      5 LEU  QD1     5.63   # peak    281
  5 LEU  HN      5 LEU  QD2     6.53   # peak    280
  5 LEU  HN      6 ALA  HN      3.67   # peak    145
  5 LEU  HN      6 ALA  QB      6.53   # peak    279
#  5 LEU  HN      7 HIS+ HD2     5.50   # peak    195
#  5 LEU  HN      8 ALA  QB      3.61   # peak    278
  5 LEU  HA      5 LEU  QB      4.36   # peak    387
  5 LEU  HA      5 LEU  QD1     4.76   # peak    391
  5 LEU  HA      5 LEU  QD2     5.38   # peak    390
#  5 LEU  HA      6 ALA  HN      3.30   # peak     23
  5 LEU  HA      6 ALA  QB      5.91   # peak    389
#  5 LEU  HA      7 HIS+ HD2     5.50   # peak     72
#  5 LEU  HA     12 TYR  QD      7.64   # peak     73
#  5 LEU  HA     12 TYR  QE      7.20   # peak     59
#  5 LEU  HA     13 ILE  QD1     6.53   # peak    394
  5 LEU  QB      5 LEU  QD1     5.51   # peak    488
  5 LEU  QB      5 LEU  QD2     5.33   # peak    487
  5 LEU  QB      6 ALA  HN      4.64   # peak    262
  5 LEU  QB      6 ALA  HA      5.04   # peak    395
#  5 LEU  QB      7 HIS+ HD2     6.38   # peak    297
#  5 LEU  QB     12 TYR  QD      8.52   # peak    298
  5 LEU  QD1     6 ALA  HN      4.98   # peak    231
#  5 LEU  QD1     6 ALA  HA      3.52   # peak    398
  5 LEU  QD1     6 ALA  QB      7.56   # peak    465
#  5 LEU  QD1     7 HIS+ HB2     6.37   # peak    458
#  5 LEU  QD1     7 HIS+ HD2     5.75   # peak    310
#  5 LEU  QD2     6 ALA  HA      6.53   # peak    397
  5 LEU  QD2     6 ALA  QB      7.56   # peak    468
#  5 LEU  QD2     7 HIS+ HB2     6.53   # peak    456
#  5 LEU  QD2     7 HIS+ HD2     3.43   # peak    495
  5 LEU  QD2     8 ALA  QB      7.56   # peak    492
#  5 LEU  QD2    14 VAL  HA      3.71   # peak    373
  6 ALA  HN      6 ALA  HA      3.52   # peak     27
#  6 ALA  HN      6 ALA  QB      4.45   # peak    270
  6 ALA  HN      7 HIS+ HN      3.39   # peak    147
  6 ALA  HN      8 ALA  QB      5.13   # peak    266
  6 ALA  HA      6 ALA  QB      4.23   # peak    396
#  6 ALA  HA      7 HIS+ HN      2.83   # peak     17
#  6 ALA  HA      7 HIS+ HA      4.76   # peak    361
#  6 ALA  HA      7 HIS+ HB2     3.98   # peak    352
  6 ALA  HA      7 HIS+ HD2     4.45   # peak     74
#  6 ALA  HA     13 ILE  HN      4.48   # peak     43
  6 ALA  QB      7 HIS+ HN      4.73   # peak    268
  6 ALA  QB      7 HIS+ HA      5.78   # peak    428
  6 ALA  QB      7 HIS+ HB2     6.03   # peak    455
#  6 ALA  QB      7 HIS+ HB3     5.54   # peak    447
  6 ALA  QB      7 HIS+ HD2     6.00   # peak    305
  6 ALA  QB      7 HIS+ HE1     6.53   # peak    245
  6 ALA  QB      9 LYS+ HN      6.12   # peak    255
  6 ALA  QB      9 LYS+ HB3     6.09   # peak    493
  6 ALA  QB      9 LYS+ QD      7.40   # peak    494
#  6 ALA  QB     13 ILE  HB      4.79   # peak    481
#  6 ALA  QB     13 ILE  QG2     7.56   # peak    467
#  6 ALA  QB     13 ILE  QD1     7.56   # peak    466
#  6 ALA  QB     15 HIS+ HD2     6.53   # peak    304
  7 HIS+ HN      7 HIS+ HB2     2.93   # peak    106
#  7 HIS+ HN      7 HIS+ HB3     3.05   # peak    100
  7 HIS+ HN      7 HIS+ HD2     4.04   # peak    155
#  7 HIS+ HN     12 TYR  QE      7.63   # peak    199
  7 HIS+ HA      7 HIS+ HB3     2.71   # peak    338
  7 HIS+ HA      7 HIS+ HD2     4.32   # peak     68
#  7 HIS+ HA      7 HIS+ HE1     5.50   # peak     46
#  7 HIS+ HA      8 ALA  HN      2.74   # peak      7
#  7 HIS+ HA      8 ALA  QB      4.82   # peak    427
  7 HIS+ HA      9 LYS+ HN      3.80   # peak     33
  7 HIS+ HA     10 ALA  HN      3.89   # peak     34
  7 HIS+ HB2     7 HIS+ HB3     2.56   # peak    354
  7 HIS+ HB2     7 HIS+ HD2     4.38   # peak    128
  7 HIS+ HB3     7 HIS+ HD2     4.85   # peak    124
#  7 HIS+ HB3     8 ALA  QB      5.29   # peak    446
  7 HIS+ HD2     7 HIS+ HE1     5.50   # peak    153
  7 HIS+ HD2    10 ALA  QB      5.26   # peak    300
#  7 HIS+ HD2    11 GLY  HN      3.98   # peak    154
#  7 HIS+ HD2    12 TYR  HN      5.00   # peak    170
#  7 HIS+ HD2    12 TYR  QE      7.63   # peak    220
#  7 HIS+ HD2    14 VAL  QG1     4.33   # peak    312
#  7 HIS+ HE1     8 ALA  QB      3.71   # peak    243
  8 ALA  HN      8 ALA  HA      3.14   # peak     16
  8 ALA  HN      8 ALA  QB      4.11   # peak    264
  8 ALA  HN      9 LYS+ HN      3.49   # peak    142
#  8 ALA  HN     13 ILE  HB      5.50   # peak    258
#  8 ALA  HN     13 ILE  QG2     6.53   # peak    239
  8 ALA  HA     11 GLY  HA2     4.07   # peak    363
#  8 ALA  HA     13 ILE  QG2     5.23   # peak    383
#  8 ALA  HA     13 ILE  QD1     6.53   # peak    382
  8 ALA  QB      9 LYS+ HN      4.17   # peak    253
#  9 LYS+ HN      9 LYS+ HB2     3.24   # peak    248
  9 LYS+ HN      9 LYS+ HB3     3.39   # peak    246
  9 LYS+ HN      9 LYS+ QD      6.38   # peak    250
  9 LYS+ HN     12 TYR  QB      4.98   # peak    105
  9 LYS+ HN     12 TYR  QE      7.63   # peak    169
  9 LYS+ HA      9 LYS+ HB2     2.93   # peak    385
  9 LYS+ HA      9 LYS+ HB3     3.05   # peak    384
  9 LYS+ HA      9 LYS+ QG      4.42   # peak    388
  9 LYS+ HA      9 LYS+ QD      5.29   # peak    386
  9 LYS+ HA      9 LYS+ QE      5.35   # peak    341
#  9 LYS+ HA     10 ALA  HN      2.74   # peak     21
  9 LYS+ HB2     9 LYS+ QE      5.60   # peak    462
  9 LYS+ HB2    10 ALA  HN      3.80   # peak    249
  9 LYS+ HB3     9 LYS+ QE      6.07   # peak    461
  9 LYS+ HB3    10 ALA  HN      3.67   # peak    247
  9 LYS+ QG      9 LYS+ QD      5.76   # peak    478
  9 LYS+ QG      9 LYS+ QE      6.23   # peak    464
  9 LYS+ QG     10 ALA  HN      6.28   # peak    252
#  9 LYS+ QG     12 TYR  HA      6.38   # peak    421
  9 LYS+ QG     12 TYR  QE      8.51   # peak    325
  9 LYS+ QD      9 LYS+ QE      6.35   # peak    463
  9 LYS+ QD     10 ALA  HN      6.38   # peak    251
  9 LYS+ QD     12 TYR  QD      7.34   # peak    296
 10 ALA  HN     10 ALA  QB      4.11   # peak    254
 10 ALA  HN     12 TYR  QB      5.76   # peak    109
 10 ALA  HN     12 TYR  QD      7.64   # peak    158
 10 ALA  HA     10 ALA  QB      3.52   # peak    381
# 10 ALA  HA     11 GLY  HN      2.56   # peak     20
# 10 ALA  HA     11 GLY  HA1     3.36   # peak    364
 10 ALA  HA     12 TYR  HN      3.36   # peak     22
 10 ALA  QB     11 GLY  HA1     6.00   # peak    376
 10 ALA  QB     11 GLY  HA2     5.41   # peak    371
 10 ALA  QB     12 TYR  HN      5.16   # peak    265
# 10 ALA  QB     12 TYR  QB      6.97   # peak    454
# 10 ALA  QB     12 TYR  QD      8.39   # peak    301
# 10 ALA  QB     12 TYR  QE      8.66   # peak    326
# 10 ALA  QB     13 ILE  HA      3.49   # peak    402
 11 GLY  HN     11 GLY  HA1     3.02   # peak     13
 11 GLY  HN     11 GLY  HA2     3.05   # peak      9
 11 GLY  HN     12 TYR  HN      3.08   # peak    143
 11 GLY  HN     12 TYR  QD      7.64   # peak    157
 11 GLY  HA1    11 GLY  HA2     2.40   # peak    356
# 11 GLY  HA1    12 TYR  HN      3.24   # peak     14
# 11 GLY  HA1    12 TYR  QB      5.38   # peak    344
 11 GLY  HA1    12 TYR  QD      7.64   # peak     81
 11 GLY  HA1    13 ILE  HN      4.32   # peak     38
# 11 GLY  HA2    12 TYR  HN      3.24   # peak     10
# 11 GLY  HA2    12 TYR  QB      5.29   # peak    342
 11 GLY  HA2    12 TYR  QD      7.64   # peak     78
 11 GLY  HA2    13 ILE  HN      4.11   # peak     40
 12 TYR  HN     12 TYR  HA      3.33   # peak      6
 12 TYR  HN     12 TYR  QB      4.08   # peak    108
 12 TYR  HN     12 TYR  QD      7.64   # peak    161
 12 TYR  HN     12 TYR  QE      7.63   # peak    165
 12 TYR  HN     13 ILE  HN      3.33   # peak    146
# 12 TYR  HN     13 ILE  HB      4.29   # peak    260
 12 TYR  HN     13 ILE  QG2     6.28   # peak    276
 12 TYR  HN     13 ILE  QD1     6.53   # peak    236
 12 TYR  HN     14 VAL  QG2     6.53   # peak    232
 12 TYR  HA     12 TYR  QB      3.77   # peak    336
 12 TYR  HA     12 TYR  QD      6.65   # peak     69
 12 TYR  HA     12 TYR  QE      7.63   # peak     57
# 12 TYR  HA     13 ILE  HN      2.65   # peak      4
# 12 TYR  HA     13 ILE  HA      4.41   # peak    362
# 12 TYR  HA     13 ILE  HB      3.83   # peak    418
 12 TYR  HA     13 ILE  QG2     6.12   # peak    426
 12 TYR  HA     13 ILE  QD1     6.34   # peak    425
 12 TYR  QB     12 TYR  QD      7.15   # peak    129
 12 TYR  QB     12 TYR  QE      8.51   # peak    131
 12 TYR  QB     13 ILE  HN      4.45   # peak    107
 12 TYR  QB     13 ILE  HA      5.66   # peak    353
# 12 TYR  QB     13 ILE  QG2     7.40   # peak    460
 12 TYR  QB     13 ILE  QD1     7.40   # peak    459
# 12 TYR  QB     14 VAL  QG2     7.40   # peak    457
 12 TYR  QB     16 TRP  HD1     6.38   # peak    127
 12 TYR  QD     12 TYR  QE      7.57   # peak    203
 12 TYR  QD     13 ILE  HN      7.64   # peak    160
 12 TYR  QD     13 ILE  HA      7.48   # peak     76
 12 TYR  QD     13 ILE  HB      7.64   # peak    295
 12 TYR  QD     14 VAL  HN      7.64   # peak    159
# 12 TYR  QD     14 VAL  HB      7.64   # peak    293
# 12 TYR  QD     14 VAL  QG1     8.67   # peak    316
# 12 TYR  QD     14 VAL  QG2     8.67   # peak    314
 12 TYR  QE     13 ILE  HN      7.63   # peak    200
 12 TYR  QE     13 ILE  HA      7.63   # peak     60
# 12 TYR  QE     14 VAL  HA      7.63   # peak     61
# 12 TYR  QE     14 VAL  HB      7.63   # peak    323
# 12 TYR  QE     14 VAL  QG1     8.66   # peak    322
# 12 TYR  QE     14 VAL  QG2     8.66   # peak    318
 12 TYR  QE     15 HIS+ HN      7.63   # peak    198
 12 TYR  QE     16 TRP  HZ2     7.63   # peak    213
 13 ILE  HN     13 ILE  HA      3.39   # peak     19
# 13 ILE  HN     13 ILE  HB      3.18   # peak    259
 13 ILE  HN     13 ILE  QG2     5.38   # peak    275
 13 ILE  HN     13 ILE  HG12    4.41   # peak    274
 13 ILE  HN     13 ILE  HG13    3.76   # peak    263
 13 ILE  HN     13 ILE  QD1     6.53   # peak    235
 13 ILE  HN     14 VAL  HN      3.02   # peak    221
 13 ILE  HA     13 ILE  HB      3.27   # peak    400
 13 ILE  HA     13 ILE  QG2     4.54   # peak    408
# 13 ILE  HA     13 ILE  HG12    3.67   # peak    405
 13 ILE  HA     13 ILE  HG13    4.14   # peak    401
 13 ILE  HA     13 ILE  QD1     5.35   # peak    407
# 13 ILE  HA     14 VAL  HN      2.83   # peak     18
# 13 ILE  HA     14 VAL  HA      3.86   # peak    365
# 13 ILE  HA     14 VAL  HB      3.98   # peak    399
 13 ILE  HA     14 VAL  QG2     6.31   # peak    406
 13 ILE  HA     15 HIS+ HN      3.95   # peak     39
 13 ILE  HA     16 TRP  HN      2.56   # peak     42
 13 ILE  HB     13 ILE  QG2     4.20   # peak    475
 13 ILE  HB     13 ILE  HG12    4.04   # peak    480
 13 ILE  HB     13 ILE  HG13    2.93   # peak    477
 13 ILE  HB     13 ILE  QD1     4.67   # peak    474
# 13 ILE  HB     14 VAL  HN      3.61   # peak    257
 13 ILE  HB     14 VAL  QG2     6.53   # peak    473
 13 ILE  HB     16 TRP  HD1     5.31   # peak    294
 13 ILE  QG2    13 ILE  HG12    4.54   # peak    486
 13 ILE  QG2    13 ILE  HG13    4.48   # peak    491
# 13 ILE  QG2    15 HIS+ HB3     6.16   # peak    451
# 13 ILE  QG2    15 HIS+ HE1     6.53   # peak    237
 13 ILE  QG2    16 TRP  HB2     5.97   # peak    450
 13 ILE  QG2    16 TRP  HB3     6.53   # peak    445
 13 ILE  HG12   13 ILE  HG13    2.40   # peak    482
 13 ILE  HG12   13 ILE  QD1     4.08   # peak    485
 13 ILE  HG12   14 VAL  HN      5.50   # peak    273
 13 ILE  HG13   13 ILE  QD1     3.95   # peak    490
 13 ILE  QD1    14 VAL  HN      4.02   # peak    234
# 13 ILE  QD1    15 HIS+ HA      6.53   # peak    415
# 13 ILE  QD1    15 HIS+ HE1     4.02   # peak    233
 14 VAL  HN     14 VAL  HA      3.36   # peak     12
# 14 VAL  HN     14 VAL  HB      3.27   # peak    256
 14 VAL  HN     14 VAL  QG1     4.88   # peak    238
 14 VAL  HN     14 VAL  QG2     5.13   # peak    229
 14 VAL  HN     15 HIS+ HN      3.73   # peak    138
 14 VAL  HN     15 HIS+ HD2     5.50   # peak    193
 14 VAL  HN     16 TRP  HD1     5.50   # peak    189
 14 VAL  HA     14 VAL  HB      3.24   # peak    372
 14 VAL  HA     14 VAL  QG1     4.54   # peak    375
 14 VAL  HA     14 VAL  QG2     4.79   # peak    374
# 14 VAL  HA     15 HIS+ HN      2.77   # peak     11
# 14 VAL  HA     15 HIS+ HB2     3.86   # peak    343
# 14 VAL  HA     15 HIS+ HB3     3.61   # peak    351
 14 VAL  HA     15 HIS+ HD2     5.50   # peak     80
# 14 VAL  HA     16 TRP  HA      3.98   # peak    359
# 14 VAL  HA     16 TRP  HD1     5.50   # peak     79
 14 VAL  HB     14 VAL  QG1     4.42   # peak    470
 14 VAL  HB     14 VAL  QG2     4.39   # peak    469
 14 VAL  HB     15 HIS+ HN      3.64   # peak    242
# 14 VAL  HB     16 TRP  HD1     5.13   # peak    292
 14 VAL  QG1    14 VAL  QG2     5.57   # peak    483
 14 VAL  QG1    15 HIS+ HN      5.26   # peak    240
 14 VAL  QG1    15 HIS+ HD2     6.22   # peak    311
# 14 VAL  QG1    16 TRP  HN      5.66   # peak    241
# 14 VAL  QG1    16 TRP  HA      5.32   # peak    417
# 14 VAL  QG1    16 TRP  HD1     5.91   # peak    313
# 14 VAL  QG1    16 TRP  HE3     6.00   # peak    290
# 14 VAL  QG1    16 TRP  HZ2     6.53   # peak    291
 14 VAL  QG2    15 HIS+ HN      5.94   # peak    227
 14 VAL  QG2    15 HIS+ HD2     6.31   # peak    309
# 14 VAL  QG2    16 TRP  HN      4.73   # peak    228
# 14 VAL  QG2    16 TRP  HA      6.22   # peak    413
# 14 VAL  QG2    16 TRP  HD1     5.35   # peak    308
# 14 VAL  QG2    16 TRP  HE3     5.26   # peak    288
# 14 VAL  QG2    16 TRP  HZ2     5.85   # peak    289
 15 HIS+ HN     15 HIS+ HA      3.24   # peak     30
# 15 HIS+ HN     15 HIS+ HB2     3.33   # peak    103
# 15 HIS+ HN     15 HIS+ HB3     3.42   # peak    102
 15 HIS+ HN     15 HIS+ HD2     5.10   # peak    151
 15 HIS+ HN     16 TRP  HN      3.58   # peak    141
# 15 HIS+ HN     16 TRP  HD1     2.40   # peak    191
 15 HIS+ HA     15 HIS+ HB2     3.02   # peak    329
 15 HIS+ HA     15 HIS+ HB3     3.11   # peak    340
# 15 HIS+ HA     16 TRP  HN      2.71   # peak     32
 15 HIS+ HB2    15 HIS+ HB3     2.71   # peak    355
 15 HIS+ HB2    15 HIS+ HD2     4.72   # peak    126
 15 HIS+ HB2    16 TRP  HN      3.64   # peak    104
# 15 HIS+ HB2    17 THR  QG2     3.71   # peak    453
 15 HIS+ HB3    15 HIS+ HD2     4.48   # peak    125
# 15 HIS+ HB3    17 THR  QG2     6.40   # peak    452
 15 HIS+ HD2    15 HIS+ HE1     5.50   # peak    152
 15 HIS+ HD2    16 TRP  HN      3.11   # peak    192
 15 HIS+ HD2    16 TRP  HA      5.44   # peak     63
 15 HIS+ HD2    17 THR  HN      5.50   # peak    194
# 16 TRP  HN     16 TRP  HB2     2.96   # peak     99
 16 TRP  HN     16 TRP  HB3     3.73   # peak     96
 16 TRP  HN     16 TRP  HD1     4.82   # peak    149
 16 TRP  HN     16 TRP  HE3     5.50   # peak    173
 16 TRP  HA     16 TRP  HB2     3.14   # peak    334
 16 TRP  HA     16 TRP  HB3     3.14   # peak    333
# 16 TRP  HA     16 TRP  HD1     4.11   # peak     65
# 16 TRP  HA     16 TRP  HE3     4.07   # peak     49
# 16 TRP  HA     16 TRP  HZ2     5.50   # peak     83
# 16 TRP  HA     17 THR  HN      2.96   # peak     36
 16 TRP  HA     17 THR  HB      4.66   # peak    360
 16 TRP  HA     17 THR  QG2     6.50   # peak    411
 16 TRP  HB2    16 TRP  HD1     3.80   # peak    123
 16 TRP  HB2    17 THR  HN      3.61   # peak    101
 16 TRP  HB3    16 TRP  HD1     4.23   # peak    120
 16 TRP  HB3    17 THR  HN      2.71   # peak     97
# 16 TRP  HB3    17 THR  HA      2.93   # peak    349
 16 TRP  HB3    17 THR  QG2     6.53   # peak    444
# 16 TRP  HD1    16 TRP  HE3     3.64   # peak    205
 16 TRP  HD1    16 TRP  HE1     3.67   # peak    182
# 16 TRP  HD1    16 TRP  HZ2     2.59   # peak    207
 16 TRP  HD1    17 THR  HN      5.41   # peak    150
 16 TRP  HD1    17 THR  HA      5.10   # peak     82
 16 TRP  HD1    17 THR  HB      4.85   # peak     75
 16 TRP  HD1    17 THR  QG2     6.53   # peak    306
# 16 TRP  HD1    18 ALA  HA      5.50   # peak     77
 16 TRP  HE3    17 THR  HN      5.50   # peak    176
# 16 TRP  HE3    17 THR  HA      4.72   # peak     47
 16 TRP  HE3    17 THR  HB      4.72   # peak     51
 16 TRP  HE3    17 THR  QG2     6.53   # peak    287
 16 TRP  HE1    16 TRP  HZ2     4.69   # peak    180
 16 TRP  HZ2    17 THR  HN      5.50   # peak    186
# 16 TRP  HZ2    18 ALA  HA      5.50   # peak    496
# 17 THR  HN     17 THR  HA      2.74   # peak     25
# 17 THR  HN     17 THR  HB      2.40   # peak     28
 17 THR  HN     17 THR  QG2     5.78   # peak    271
 17 THR  HA     17 THR  QG2     4.88   # peak    393
# 17 THR  HA     18 ALA  HN      3.11   # peak     26
 17 THR  HA     18 ALA  QB      4.64   # peak    392
 17 THR  HB     17 THR  QG2     4.67   # peak    404
 17 THR  HB     18 ALA  HN      4.20   # peak     29
 17 THR  HB     18 ALA  QB      6.53   # peak    403
 17 THR  QG2    18 ALA  HN      6.06   # peak    272
 17 THR  QG2    18 ALA  HA      5.50   # peak    409
 18 ALA  HN     18 ALA  HA      3.55   # peak      8
 18 ALA  HN     18 ALA  QB      4.73   # peak    267
 18 ALA  HA     18 ALA  QB      4.42   # peak    377

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1          H         ILE   1  -5.525 -11.942   5.893
    2    HA   ILE   1           HA       ILE   1  -4.290 -11.765   4.066
    3    HB   ILE   1           HB       ILE   1  -6.464 -13.608   3.093
    4   1HG1  ILE   1          1HG1      ILE   1  -3.612 -14.239   3.882
    5   2HG1  ILE   1          2HG1      ILE   1  -4.936 -14.249   5.029
    6   1HG2  ILE   1          1HG2      ILE   1  -4.802 -14.262   1.311
    7   2HG2  ILE   1          2HG2      ILE   1  -5.585 -12.678   1.094
    8   3HG2  ILE   1          3HG2      ILE   1  -3.914 -12.770   1.700
    9   1HD1  ILE   1          1HD1      ILE   1  -4.188 -16.421   3.526
   10   2HD1  ILE   1          2HD1      ILE   1  -5.820 -16.194   4.200
   11   3HD1  ILE   1          3HD1      ILE   1  -5.483 -15.741   2.512
   12    H    ASN   2           H        ASN   2  -3.981 -10.638   2.035
   13    HA   ASN   2           HA       ASN   2  -5.955  -9.628   0.486
   14   1HB   ASN   2          1HB       ASN   2  -5.556  -8.066   3.004
   15   2HB   ASN   2          2HB       ASN   2  -5.515  -7.097   1.545
   16   1HD2  ASN   2          1HD2      ASN   2  -7.245  -8.300  -0.123
   17   2HD2  ASN   2          2HD2      ASN   2  -8.862  -8.278   0.496
   18    H    TYR   3           H        TYR   3  -4.995  -8.243  -1.190
   19    HA   TYR   3           HA       TYR   3  -2.089  -7.908  -0.871
   20   1HB   TYR   3          1HB       TYR   3  -3.135  -9.580  -2.585
   21   2HB   TYR   3          2HB       TYR   3  -3.845  -8.192  -3.385
   22    HD1  TYR   3           1HD      TYR   3  -0.891 -10.227  -3.014
   23    HD2  TYR   3           2HD      TYR   3  -2.299  -6.422  -4.372
   24    HE1  TYR   3           1HE      TYR   3   1.228  -9.925  -4.386
   25    HE2  TYR   3           2HE      TYR   3  -0.175  -6.133  -5.740
   26    HH   TYR   3           HH       TYR   3   2.072  -6.921  -5.760
   27    H    TRP   4           H        TRP   4  -5.180  -6.371  -1.446
   28    HA   TRP   4           HA       TRP   4  -3.925  -4.013  -2.594
   29   1HB   TRP   4          1HB       TRP   4  -6.766  -4.895  -2.157
   30   2HB   TRP   4          2HB       TRP   4  -6.382  -3.224  -2.517
   31    HD1  TRP   4           HD       TRP   4  -7.543  -6.045  -4.362
   32    HE1  TRP   4           1HE      TRP   4  -6.882  -6.095  -6.916
   33    HE3  TRP   4           3HE      TRP   4  -3.820  -2.600  -4.005
   34    HZ2  TRP   4           2HZ      TRP   4  -4.920  -4.718  -8.466
   35    HZ3  TRP   4           3HZ      TRP   4  -2.581  -2.009  -6.086
   36    HH2  TRP   4           HH       TRP   4  -3.079  -3.007  -8.261
   37    H    LEU   5           H        LEU   5  -5.354  -5.318   0.409
   38    HA   LEU   5           HA       LEU   5  -5.134  -2.716   1.687
   39   1HB   LEU   5          1HB       LEU   5  -6.141  -5.342   2.788
   40   2HB   LEU   5          2HB       LEU   5  -6.272  -3.768   3.547
   41    HG   LEU   5           HG       LEU   5  -8.331  -3.744   2.671
   42   1HD1  LEU   5          1HD1      LEU   5  -7.033  -3.330  -0.026
   43   2HD1  LEU   5          2HD1      LEU   5  -8.553  -2.641   0.593
   44   3HD1  LEU   5          3HD1      LEU   5  -6.994  -2.108   1.268
   45   1HD2  LEU   5          1HD2      LEU   5  -7.334  -5.915   0.841
   46   2HD2  LEU   5          2HD2      LEU   5  -8.568  -5.989   2.122
   47   3HD2  LEU   5          3HD2      LEU   5  -8.925  -5.157   0.589
   48    H    ALA   6           H        ALA   6  -2.727  -4.110   0.673
   49    HA   ALA   6           HA       ALA   6  -1.289  -4.116   3.197
   50   1HB   ALA   6          1HB       ALA   6  -0.592  -6.285   3.124
   51   2HB   ALA   6          2HB       ALA   6  -2.089  -6.521   2.190
   52   3HB   ALA   6          3HB       ALA   6  -0.536  -6.316   1.345
   53    H    HIS   7           H        HIS   7  -1.206  -4.440  -0.409
   54    HA   HIS   7           HA       HIS   7   1.424  -3.259  -0.443
   55   1HB   HIS   7          1HB       HIS   7  -0.396  -4.187  -2.682
   56   2HB   HIS   7          2HB       HIS   7   1.242  -3.603  -2.896
   57    HD1  HIS   7           1HD      HIS   7   1.440  -6.141  -3.977
   58    HD2  HIS   7           2HD      HIS   7   1.136  -5.835   0.195
   59    HE1  HIS   7           1HE      HIS   7   2.257  -8.367  -3.036
   60    HE2  HIS   7           2HE      HIS   7   2.098  -8.099  -0.467
   61    H    ALA   8           H        ALA   8  -1.986  -2.411  -1.103
   62    HA   ALA   8           HA       ALA   8  -1.329   0.094  -2.302
   63   1HB   ALA   8          1HB       ALA   8  -3.580   0.219  -2.703
   64   2HB   ALA   8          2HB       ALA   8  -3.498  -1.524  -2.352
   65   3HB   ALA   8          3HB       ALA   8  -4.011  -0.384  -1.084
   66    H    LYS   9           H        LYS   9  -1.157  -1.132   0.869
   67    HA   LYS   9           HA       LYS   9  -1.734   1.482   2.045
   68   1HB   LYS   9          1HB       LYS   9  -2.532  -0.986   2.845
   69   2HB   LYS   9          2HB       LYS   9  -1.054  -0.834   3.772
   70   1HG   LYS   9          1HG       LYS   9  -2.365   1.697   3.967
   71   2HG   LYS   9          2HG       LYS   9  -3.616   0.490   4.187
   72   1HD   LYS   9          1HD       LYS   9  -2.771  -0.215   6.201
   73   2HD   LYS   9          2HD       LYS   9  -1.110  -0.134   5.649
   74   1HE   LYS   9          1HE       LYS   9  -1.267   2.416   5.822
   75   2HE   LYS   9          2HE       LYS   9  -2.835   2.208   6.576
   76   1HZ   LYS   9          1HZ       LYS   9  -1.880   1.147   8.380
   77   2HZ   LYS   9          2HZ       LYS   9  -0.473   0.831   7.614
   78   3HZ   LYS   9          3HZ       LYS   9  -0.831   2.359   8.068
   79    H    ALA  10           H        ALA  10   0.798  -1.110   1.928
   80    HA   ALA  10           HA       ALA  10   2.708   0.612   3.194
   81   1HB   ALA  10          1HB       ALA  10   2.570  -1.917   3.404
   82   2HB   ALA  10          2HB       ALA  10   3.168  -2.013   1.730
   83   3HB   ALA  10          3HB       ALA  10   4.180  -1.277   2.996
   84    H    GLY  11           H        GLY  11   1.785  -0.375  -0.117
   85   1HA   GLY  11          1HA       GLY  11   4.101   0.916  -1.295
   86   2HA   GLY  11          2HA       GLY  11   2.791   0.096  -2.121
   87    H    TYR  12           H        TYR  12   1.716   2.310   0.334
   88    HA   TYR  12           HA       TYR  12   0.707   4.073  -1.733
   89   1HB   TYR  12          1HB       TYR  12  -0.816   4.666   0.021
   90   2HB   TYR  12          2HB       TYR  12  -0.425   3.013   0.452
   91    HD1  TYR  12           1HD      TYR  12  -1.419   5.348   2.257
   92    HD2  TYR  12           2HD      TYR  12   2.455   3.717   1.461
   93    HE1  TYR  12           1HE      TYR  12  -0.614   6.130   4.538
   94    HE2  TYR  12           2HE      TYR  12   3.247   4.504   3.746
   95    HH   TYR  12           HH       TYR  12   1.160   6.472   5.797
   96    H    ILE  13           H        ILE  13   3.671   3.949  -0.891
   97    HA   ILE  13           HA       ILE  13   3.950   6.627   0.232
   98    HB   ILE  13           HB       ILE  13   6.075   6.043   0.872
   99   1HG1  ILE  13          1HG1      ILE  13   7.018   5.396  -1.233
  100   2HG1  ILE  13          2HG1      ILE  13   7.363   4.136  -0.065
  101   1HG2  ILE  13          1HG2      ILE  13   5.938   3.695   1.796
  102   2HG2  ILE  13          2HG2      ILE  13   4.588   4.777   2.213
  103   3HG2  ILE  13          3HG2      ILE  13   4.380   3.541   0.949
  104   1HD1  ILE  13          1HD1      ILE  13   6.626   3.107  -2.161
  105   2HD1  ILE  13          2HD1      ILE  13   5.379   2.839  -0.920
  106   3HD1  ILE  13          3HD1      ILE  13   5.144   4.093  -2.162
  107    H    VAL  14           H        VAL  14   3.145   5.584  -2.673
  108    HA   VAL  14           HA       VAL  14   5.265   6.708  -4.251
  109    HB   VAL  14           HB       VAL  14   2.485   5.735  -4.941
  110   1HG1  VAL  14          1HG1      VAL  14   4.766   6.114  -6.888
  111   2HG1  VAL  14          2HG1      VAL  14   3.034   5.879  -7.224
  112   3HG1  VAL  14          3HG1      VAL  14   3.606   7.417  -6.535
  113   1HG2  VAL  14          1HG2      VAL  14   3.296   3.659  -4.861
  114   2HG2  VAL  14          2HG2      VAL  14   4.637   4.101  -5.946
  115   3HG2  VAL  14          3HG2      VAL  14   4.811   4.308  -4.187
  116    H    HIS  15           H        HIS  15   2.267   7.759  -2.707
  117    HA   HIS  15           HA       HIS  15   2.567  10.326  -4.089
  118   1HB   HIS  15          1HB       HIS  15   0.027  10.202  -2.861
  119   2HB   HIS  15          2HB       HIS  15   0.407  10.218  -4.572
  120    HD1  HIS  15           1HD      HIS  15  -0.724   8.348  -5.758
  121    HD2  HIS  15           2HD      HIS  15   0.446   7.256  -1.881
  122    HE1  HIS  15           1HE      HIS  15  -1.445   5.920  -5.451
  123    HE2  HIS  15           2HE      HIS  15  -0.650   5.288  -3.071
  124    H    TRP  16           H        TRP  16   2.787   8.567  -1.111
  125    HA   TRP  16           HA       TRP  16   2.295  10.835   0.581
  126   1HB   TRP  16          1HB       TRP  16   1.833   9.119   1.904
  127   2HB   TRP  16          2HB       TRP  16   2.674   7.978   0.874
  128    HD1  TRP  16           HD       TRP  16   4.701   6.859   2.070
  129    HE1  TRP  16           1HE      TRP  16   6.381   7.381   4.037
  130    HE3  TRP  16           3HE      TRP  16   2.920  11.519   3.054
  131    HZ2  TRP  16           2HZ      TRP  16   6.767   9.634   5.746
  132    HZ3  TRP  16           3HZ      TRP  16   4.005  12.813   4.888
  133    HH2  TRP  16           HH       TRP  16   5.865  11.942   6.213
  134    H    THR  17           H        THR  17   5.201   8.676   0.497
  135    HA   THR  17           HA       THR  17   6.933  10.834  -0.268
  136    HB   THR  17           HB       THR  17   6.227  10.859   2.383
  137    HG1  THR  17           1HG      THR  17   7.637  12.466   1.754
  138   1HG2  THR  17          1HG2      THR  17   7.510   8.502   2.461
  139   2HG2  THR  17          2HG2      THR  17   8.953   9.544   2.420
  140   3HG2  THR  17          3HG2      THR  17   7.771   9.712   3.741
  141    H    ALA  18           H        ALA  18   9.246  10.107  -0.346
  142    HA   ALA  18           HA       ALA  18   9.977   7.462   0.014
  143   1HB   ALA  18          1HB       ALA  18   8.355   6.822  -1.651
  144   2HB   ALA  18          2HB       ALA  18   8.900   8.105  -2.757
  145   3HB   ALA  18          3HB       ALA  18   9.963   6.720  -2.408
  Start of MODEL    2
    1   1H    ILE   1          H         ILE   1  -5.960 -11.328   5.356
    2    HA   ILE   1           HA       ILE   1  -3.619 -11.715   4.101
    3    HB   ILE   1           HB       ILE   1  -5.657 -13.682   3.084
    4   1HG1  ILE   1          1HG1      ILE   1  -2.768 -14.320   3.395
    5   2HG1  ILE   1          2HG1      ILE   1  -3.669 -14.049   4.873
    6   1HG2  ILE   1          1HG2      ILE   1  -4.811 -12.303   1.196
    7   2HG2  ILE   1          2HG2      ILE   1  -3.155 -12.797   1.622
    8   3HG2  ILE   1          3HG2      ILE   1  -4.341 -14.016   1.098
    9   1HD1  ILE   1          1HD1      ILE   1  -5.235 -15.694   3.040
   10   2HD1  ILE   1          2HD1      ILE   1  -3.629 -16.411   3.315
   11   3HD1  ILE   1          3HD1      ILE   1  -4.695 -16.061   4.697
   12    H    ASN   2           H        ASN   2  -3.459 -10.468   2.113
   13    HA   ASN   2           HA       ASN   2  -5.621  -9.496   0.754
   14   1HB   ASN   2          1HB       ASN   2  -4.956  -7.982   3.256
   15   2HB   ASN   2          2HB       ASN   2  -5.154  -6.993   1.823
   16   1HD2  ASN   2          1HD2      ASN   2  -7.049  -8.221   0.383
   17   2HD2  ASN   2          2HD2      ASN   2  -8.564  -8.285   1.219
   18    H    TYR   3           H        TYR   3  -4.854  -8.074  -0.979
   19    HA   TYR   3           HA       TYR   3  -1.940  -7.669  -0.935
   20   1HB   TYR   3          1HB       TYR   3  -3.026  -9.338  -2.580
   21   2HB   TYR   3          2HB       TYR   3  -3.966  -8.010  -3.233
   22    HD1  TYR   3           1HD      TYR   3  -2.573  -5.955  -4.132
   23    HD2  TYR   3           2HD      TYR   3  -0.982  -9.885  -3.564
   24    HE1  TYR   3           1HE      TYR   3  -0.695  -5.439  -5.767
   25    HE2  TYR   3           2HE      TYR   3   0.891  -9.356  -5.200
   26    HH   TYR   3           HH       TYR   3   1.032  -6.192  -6.815
   27    H    TRP   4           H        TRP   4  -5.119  -6.209  -1.224
   28    HA   TRP   4           HA       TRP   4  -3.998  -3.781  -2.377
   29   1HB   TRP   4          1HB       TRP   4  -6.793  -4.752  -1.822
   30   2HB   TRP   4          2HB       TRP   4  -6.462  -3.070  -2.185
   31    HD1  TRP   4           HD       TRP   4  -7.646  -5.907  -3.996
   32    HE1  TRP   4           1HE      TRP   4  -7.110  -5.919  -6.580
   33    HE3  TRP   4           3HE      TRP   4  -3.997  -2.371  -3.791
   34    HZ2  TRP   4           2HZ      TRP   4  -5.262  -4.481  -8.211
   35    HZ3  TRP   4           3HZ      TRP   4  -2.877  -1.733  -5.925
   36    HH2  TRP   4           HH       TRP   4  -3.457  -2.726  -8.082
   37    H    LEU   5           H        LEU   5  -5.263  -5.217   0.644
   38    HA   LEU   5           HA       LEU   5  -5.054  -2.650   1.991
   39   1HB   LEU   5          1HB       LEU   5  -5.929  -5.328   3.078
   40   2HB   LEU   5          2HB       LEU   5  -6.101  -3.766   3.854
   41    HG   LEU   5           HG       LEU   5  -8.192  -3.850   3.051
   42   1HD1  LEU   5          1HD1      LEU   5  -6.971  -2.108   1.658
   43   2HD1  LEU   5          2HD1      LEU   5  -7.019  -3.288   0.326
   44   3HD1  LEU   5          3HD1      LEU   5  -8.536  -2.682   1.034
   45   1HD2  LEU   5          1HD2      LEU   5  -7.143  -5.895   1.104
   46   2HD2  LEU   5          2HD2      LEU   5  -8.306  -6.095   2.437
   47   3HD2  LEU   5          3HD2      LEU   5  -8.787  -5.230   0.957
   48    H    ALA   6           H        ALA   6  -2.654  -3.920   0.837
   49    HA   ALA   6           HA       ALA   6  -1.098  -3.933   3.281
   50   1HB   ALA   6          1HB       ALA   6  -0.153  -6.091   1.607
   51   2HB   ALA   6          2HB       ALA   6  -0.670  -6.137   3.310
   52   3HB   ALA   6          3HB       ALA   6  -1.866  -6.357   2.010
   53    H    HIS   7           H        HIS   7  -1.195  -4.276  -0.322
   54    HA   HIS   7           HA       HIS   7   1.414  -3.064  -0.499
   55   1HB   HIS   7          1HB       HIS   7  -0.510  -4.023  -2.636
   56   2HB   HIS   7          2HB       HIS   7   1.107  -3.419  -2.938
   57    HD1  HIS   7           1HD      HIS   7   1.260  -5.967  -4.019
   58    HD2  HIS   7           2HD      HIS   7   1.211  -5.632   0.162
   59    HE1  HIS   7           1HE      HIS   7   2.158  -8.177  -3.115
   60    HE2  HIS   7           2HE      HIS   7   2.155  -7.891  -0.543
   61    H    ALA   8           H        ALA   8  -2.024  -2.229  -0.837
   62    HA   ALA   8           HA       ALA   8  -1.443   0.290  -2.100
   63   1HB   ALA   8          1HB       ALA   8  -3.697   0.367  -2.466
   64   2HB   ALA   8          2HB       ALA   8  -3.591  -1.373  -2.107
   65   3HB   ALA   8          3HB       ALA   8  -4.090  -0.231  -0.837
   66    H    LYS   9           H        LYS   9  -1.143  -0.982   1.034
   67    HA   LYS   9           HA       LYS   9  -1.728   1.609   2.265
   68   1HB   LYS   9          1HB       LYS   9  -2.305  -1.036   3.039
   69   2HB   LYS   9          2HB       LYS   9  -1.026  -0.511   4.115
   70   1HG   LYS   9          1HG       LYS   9  -2.556   1.738   4.166
   71   2HG   LYS   9          2HG       LYS   9  -3.811   0.571   3.801
   72   1HD   LYS   9          1HD       LYS   9  -2.766  -0.827   5.778
   73   2HD   LYS   9          2HD       LYS   9  -1.994   0.680   6.231
   74   1HE   LYS   9          1HE       LYS   9  -4.036   0.665   7.465
   75   2HE   LYS   9          2HE       LYS   9  -4.343   1.760   6.131
   76   1HZ   LYS   9          1HZ       LYS   9  -6.140   0.368   6.099
   77   2HZ   LYS   9          2HZ       LYS   9  -5.187  -0.344   4.980
   78   3HZ   LYS   9          3HZ       LYS   9  -5.290  -0.973   6.484
   79    H    ALA  10           H        ALA  10   0.810  -0.905   1.805
   80    HA   ALA  10           HA       ALA  10   2.745   0.825   3.110
   81   1HB   ALA  10          1HB       ALA  10   3.787  -1.117   3.566
   82   2HB   ALA  10          2HB       ALA  10   2.374  -1.951   2.877
   83   3HB   ALA  10          3HB       ALA  10   3.784  -1.593   1.851
   84    H    GLY  11           H        GLY  11   1.750  -0.361  -0.114
   85   1HA   GLY  11          1HA       GLY  11   4.056   0.763  -1.438
   86   2HA   GLY  11          2HA       GLY  11   2.657   0.005  -2.172
   87    H    TYR  12           H        TYR  12   1.667   2.301   0.180
   88    HA   TYR  12           HA       TYR  12   0.833   4.103  -1.929
   89   1HB   TYR  12          1HB       TYR  12  -0.766   4.701  -0.279
   90   2HB   TYR  12          2HB       TYR  12  -0.359   3.097   0.297
   91    HD1  TYR  12           1HD      TYR  12  -1.209   6.019   1.588
   92    HD2  TYR  12           2HD      TYR  12   2.226   3.469   1.621
   93    HE1  TYR  12           1HE      TYR  12  -0.495   6.997   3.824
   94    HE2  TYR  12           2HE      TYR  12   2.928   4.455   3.857
   95    HH   TYR  12           HH       TYR  12   1.038   5.930   5.847
   96    H    ILE  13           H        ILE  13   3.756   3.832  -0.976
   97    HA   ILE  13           HA       ILE  13   4.149   6.465   0.195
   98    HB   ILE  13           HB       ILE  13   6.321   5.783   0.696
   99   1HG1  ILE  13          1HG1      ILE  13   6.825   4.889  -1.595
  100   2HG1  ILE  13          2HG1      ILE  13   7.519   3.975  -0.271
  101   1HG2  ILE  13          1HG2      ILE  13   5.738   3.170   1.357
  102   2HG2  ILE  13          2HG2      ILE  13   5.352   4.611   2.329
  103   3HG2  ILE  13          3HG2      ILE  13   4.129   3.922   1.234
  104   1HD1  ILE  13          1HD1      ILE  13   6.612   2.219  -1.478
  105   2HD1  ILE  13          2HD1      ILE  13   5.195   2.617  -0.477
  106   3HD1  ILE  13          3HD1      ILE  13   5.302   3.220  -2.149
  107    H    VAL  14           H        VAL  14   3.374   5.449  -2.780
  108    HA   VAL  14           HA       VAL  14   5.503   6.656  -4.281
  109    HB   VAL  14           HB       VAL  14   2.787   5.540  -4.988
  110   1HG1  VAL  14          1HG1      VAL  14   4.769   7.039  -6.645
  111   2HG1  VAL  14          2HG1      VAL  14   3.984   5.618  -7.374
  112   3HG1  VAL  14          3HG1      VAL  14   2.995   6.966  -6.764
  113   1HG2  VAL  14          1HG2      VAL  14   3.804   3.560  -5.163
  114   2HG2  VAL  14          2HG2      VAL  14   5.096   4.246  -6.177
  115   3HG2  VAL  14          3HG2      VAL  14   5.235   4.296  -4.403
  116    H    HIS  15           H        HIS  15   2.486   7.626  -2.744
  117    HA   HIS  15           HA       HIS  15   2.734  10.217  -4.092
  118   1HB   HIS  15          1HB       HIS  15   0.193   9.991  -2.854
  119   2HB   HIS  15          2HB       HIS  15   0.572  10.106  -4.560
  120    HD1  HIS  15           1HD      HIS  15  -0.520   8.274  -5.838
  121    HD2  HIS  15           2HD      HIS  15   0.708   7.007  -2.033
  122    HE1  HIS  15           1HE      HIS  15  -1.169   5.812  -5.660
  123    HE2  HIS  15           2HE      HIS  15  -0.340   5.076  -3.322
  124    H    TRP  16           H        TRP  16   3.022   8.426  -1.150
  125    HA   TRP  16           HA       TRP  16   2.490  10.678   0.567
  126   1HB   TRP  16          1HB       TRP  16   1.997   8.954   1.869
  127   2HB   TRP  16          2HB       TRP  16   2.843   7.815   0.840
  128    HD1  TRP  16           HD       TRP  16   4.844   6.670   2.056
  129    HE1  TRP  16           1HE      TRP  16   6.504   7.166   4.046
  130    HE3  TRP  16           3HE      TRP  16   3.093  11.340   3.045
  131    HZ2  TRP  16           2HZ      TRP  16   6.891   9.406   5.772
  132    HZ3  TRP  16           3HZ      TRP  16   4.167  12.615   4.899
  133    HH2  TRP  16           HH       TRP  16   6.004  11.720   6.241
  134    H    THR  17           H        THR  17   5.376   8.494   0.498
  135    HA   THR  17           HA       THR  17   7.123  10.687  -0.182
  136    HB   THR  17           HB       THR  17   6.443  10.590   2.448
  137    HG1  THR  17           1HG      THR  17   7.934  12.116   1.613
  138   1HG2  THR  17          1HG2      THR  17   7.605   8.144   2.359
  139   2HG2  THR  17          2HG2      THR  17   9.082   9.129   2.491
  140   3HG2  THR  17          3HG2      THR  17   7.829   9.229   3.752
  141    H    ALA  18           H        ALA  18   9.345   9.990  -0.545
  142    HA   ALA  18           HA       ALA  18  10.243   7.413  -0.260
  143   1HB   ALA  18          1HB       ALA  18   9.779   7.226  -3.057
  144   2HB   ALA  18          2HB       ALA  18   9.114   6.193  -1.769
  145   3HB   ALA  18          3HB       ALA  18   8.216   7.632  -2.309
  Start of MODEL    3
    1   1H    ILE   1          H         ILE   1  -5.984 -10.929   5.653
    2    HA   ILE   1           HA       ILE   1  -4.875  -9.322   4.620
    3    HB   ILE   1           HB       ILE   1  -3.153 -11.281   4.991
    4   1HG1  ILE   1          1HG1      ILE   1  -1.991  -9.229   3.219
    5   2HG1  ILE   1          2HG1      ILE   1  -2.994  -8.585   4.503
    6   1HG2  ILE   1          1HG2      ILE   1  -2.104 -12.156   3.116
    7   2HG2  ILE   1          2HG2      ILE   1  -3.825 -12.206   2.665
    8   3HG2  ILE   1          3HG2      ILE   1  -2.775 -10.916   2.030
    9   1HD1  ILE   1          1HD1      ILE   1  -0.466 -10.227   4.710
   10   2HD1  ILE   1          2HD1      ILE   1  -0.916  -8.737   5.573
   11   3HD1  ILE   1          3HD1      ILE   1  -1.654 -10.290   6.034
   12    H    ASN   2           H        ASN   2  -4.105  -8.452   2.357
   13    HA   ASN   2           HA       ASN   2  -5.482  -9.699   0.186
   14   1HB   ASN   2          1HB       ASN   2  -6.566  -7.326   1.617
   15   2HB   ASN   2          2HB       ASN   2  -6.400  -7.069  -0.108
   16   1HD2  ASN   2          1HD2      ASN   2  -7.615  -9.366   2.303
   17   2HD2  ASN   2          2HD2      ASN   2  -8.968  -9.954   1.396
   18    H    TYR   3           H        TYR   3  -4.697  -8.818  -1.885
   19    HA   TYR   3           HA       TYR   3  -2.092  -7.746  -1.750
   20   1HB   TYR   3          1HB       TYR   3  -3.368  -9.249  -3.511
   21   2HB   TYR   3          2HB       TYR   3  -4.091  -7.760  -4.087
   22    HD1  TYR   3           1HD      TYR   3  -1.188  -9.899  -4.196
   23    HD2  TYR   3           2HD      TYR   3  -2.573  -5.933  -5.006
   24    HE1  TYR   3           1HE      TYR   3   0.820  -9.499  -5.704
   25    HE2  TYR   3           2HE      TYR   3  -0.561  -5.546  -6.512
   26    HH   TYR   3           HH       TYR   3   2.123  -7.424  -6.450
   27    H    TRP   4           H        TRP   4  -5.232  -6.284  -1.609
   28    HA   TRP   4           HA       TRP   4  -4.230  -3.758  -2.669
   29   1HB   TRP   4          1HB       TRP   4  -6.975  -4.746  -1.908
   30   2HB   TRP   4          2HB       TRP   4  -6.641  -3.062  -2.258
   31    HD1  TRP   4           HD       TRP   4  -8.007  -5.877  -4.014
   32    HE1  TRP   4           1HE      TRP   4  -7.742  -5.807  -6.639
   33    HE3  TRP   4           3HE      TRP   4  -4.399  -2.294  -4.081
   34    HZ2  TRP   4           2HZ      TRP   4  -6.090  -4.296  -8.409
   35    HZ3  TRP   4           3HZ      TRP   4  -3.514  -1.579  -6.299
   36    HH2  TRP   4           HH       TRP   4  -4.301  -2.518  -8.414
   37    H    LEU   5           H        LEU   5  -5.310  -5.440   0.311
   38    HA   LEU   5           HA       LEU   5  -4.911  -3.009   1.853
   39   1HB   LEU   5          1HB       LEU   5  -5.883  -5.756   2.653
   40   2HB   LEU   5          2HB       LEU   5  -5.782  -4.367   3.715
   41    HG   LEU   5           HG       LEU   5  -7.912  -3.989   3.186
   42   1HD1  LEU   5          1HD1      LEU   5  -8.367  -2.668   1.231
   43   2HD1  LEU   5          2HD1      LEU   5  -6.751  -2.243   1.845
   44   3HD1  LEU   5          3HD1      LEU   5  -6.913  -3.288   0.414
   45   1HD2  LEU   5          1HD2      LEU   5  -8.116  -6.280   2.322
   46   2HD2  LEU   5          2HD2      LEU   5  -9.141  -5.133   1.426
   47   3HD2  LEU   5          3HD2      LEU   5  -7.617  -5.712   0.710
   48    H    ALA   6           H        ALA   6  -2.651  -4.279   0.415
   49    HA   ALA   6           HA       ALA   6  -0.934  -4.568   2.740
   50   1HB   ALA   6          1HB       ALA   6   0.087  -6.620   1.885
   51   2HB   ALA   6          2HB       ALA   6  -1.656  -6.875   2.135
   52   3HB   ALA   6          3HB       ALA   6  -1.021  -6.621   0.492
   53    H    HIS   7           H        HIS   7  -1.268  -4.496  -0.865
   54    HA   HIS   7           HA       HIS   7   1.348  -3.277  -1.048
   55   1HB   HIS   7          1HB       HIS   7  -0.652  -4.087  -3.177
   56   2HB   HIS   7          2HB       HIS   7   0.941  -3.430  -3.496
   57    HD1  HIS   7           1HD      HIS   7   1.145  -5.851  -4.792
   58    HD2  HIS   7           2HD      HIS   7   1.153  -5.914  -0.597
   59    HE1  HIS   7           1HE      HIS   7   2.099  -8.118  -4.112
   60    HE2  HIS   7           2HE      HIS   7   2.130  -8.077  -1.525
   61    H    ALA   8           H        ALA   8  -2.127  -2.481  -1.335
   62    HA   ALA   8           HA       ALA   8  -1.603   0.148  -2.346
   63   1HB   ALA   8          1HB       ALA   8  -3.754  -1.585  -2.327
   64   2HB   ALA   8          2HB       ALA   8  -4.220  -0.392  -1.091
   65   3HB   ALA   8          3HB       ALA   8  -3.833   0.143  -2.744
   66    H    LYS   9           H        LYS   9  -1.258  -1.383   0.679
   67    HA   LYS   9           HA       LYS   9  -1.836   1.091   2.128
   68   1HB   LYS   9          1HB       LYS   9  -2.457  -1.549   2.693
   69   2HB   LYS   9          2HB       LYS   9  -1.049  -1.261   3.695
   70   1HG   LYS   9          1HG       LYS   9  -2.552   1.089   4.015
   71   2HG   LYS   9          2HG       LYS   9  -3.778  -0.161   3.939
   72   1HD   LYS   9          1HD       LYS   9  -3.303  -0.778   6.066
   73   2HD   LYS   9          2HD       LYS   9  -1.660  -1.170   5.598
   74   1HE   LYS   9          1HE       LYS   9  -0.848   1.009   6.145
   75   2HE   LYS   9          2HE       LYS   9  -2.451   1.718   6.112
   76   1HZ   LYS   9          1HZ       LYS   9  -2.089   1.450   8.325
   77   2HZ   LYS   9          2HZ       LYS   9  -2.864   0.047   8.013
   78   3HZ   LYS   9          3HZ       LYS   9  -1.239   0.064   8.171
   79    H    ALA  10           H        ALA  10   0.726  -1.418   1.618
   80    HA   ALA  10           HA       ALA  10   2.658   0.234   2.970
   81   1HB   ALA  10          1HB       ALA  10   2.347  -2.465   2.597
   82   2HB   ALA  10          2HB       ALA  10   3.562  -2.080   1.354
   83   3HB   ALA  10          3HB       ALA  10   3.877  -1.682   3.060
   84    H    GLY  11           H        GLY  11   1.622  -0.569  -0.355
   85   1HA   GLY  11          1HA       GLY  11   3.890   0.757  -1.563
   86   2HA   GLY  11          2HA       GLY  11   2.506   0.044  -2.368
   87    H    TYR  12           H        TYR  12   1.533   2.051   0.261
   88    HA   TYR  12           HA       TYR  12   0.585   4.040  -1.624
   89   1HB   TYR  12          1HB       TYR  12  -0.971   4.440   0.135
   90   2HB   TYR  12          2HB       TYR  12  -0.548   2.774   0.480
   91    HD1  TYR  12           1HD      TYR  12  -1.551   5.149   2.332
   92    HD2  TYR  12           2HD      TYR  12   2.250   3.318   1.621
   93    HE1  TYR  12           1HE      TYR  12  -0.783   5.822   4.661
   94    HE2  TYR  12           2HE      TYR  12   3.004   3.996   3.953
   95    HH   TYR  12           HH       TYR  12   0.767   5.289   6.265
   96    H    ILE  13           H        ILE  13   3.512   3.860  -1.018
   97    HA   ILE  13           HA       ILE  13   3.857   6.372   0.450
   98    HB   ILE  13           HB       ILE  13   6.308   5.590   0.376
   99   1HG1  ILE  13          1HG1      ILE  13   6.649   3.178   0.227
  100   2HG1  ILE  13          2HG1      ILE  13   4.955   2.927  -0.146
  101   1HG2  ILE  13          1HG2      ILE  13   5.641   5.519   2.512
  102   2HG2  ILE  13          2HG2      ILE  13   4.064   4.802   2.104
  103   3HG2  ILE  13          3HG2      ILE  13   5.503   3.764   2.246
  104   1HD1  ILE  13          1HD1      ILE  13   6.475   4.863  -1.878
  105   2HD1  ILE  13          2HD1      ILE  13   6.803   3.125  -2.081
  106   3HD1  ILE  13          3HD1      ILE  13   5.153   3.752  -2.310
  107    H    VAL  14           H        VAL  14   3.696   4.984  -2.693
  108    HA   VAL  14           HA       VAL  14   5.627   6.551  -3.999
  109    HB   VAL  14           HB       VAL  14   4.085   6.029  -5.996
  110   1HG1  VAL  14          1HG1      VAL  14   6.165   4.808  -5.411
  111   2HG1  VAL  14          2HG1      VAL  14   5.210   3.722  -4.373
  112   3HG1  VAL  14          3HG1      VAL  14   4.925   3.752  -6.130
  113   1HG2  VAL  14          1HG2      VAL  14   2.859   3.806  -4.544
  114   2HG2  VAL  14          2HG2      VAL  14   2.281   5.393  -3.984
  115   3HG2  VAL  14          3HG2      VAL  14   2.143   4.952  -5.703
  116    H    HIS  15           H        HIS  15   2.284   7.133  -2.911
  117    HA   HIS  15           HA       HIS  15   2.298   9.688  -4.302
  118   1HB   HIS  15          1HB       HIS  15  -0.072   9.147  -2.724
  119   2HB   HIS  15          2HB       HIS  15   0.086   9.469  -4.440
  120    HD1  HIS  15           1HD      HIS  15  -0.491   7.563  -5.957
  121    HD2  HIS  15           2HD      HIS  15   0.540   6.264  -2.104
  122    HE1  HIS  15           1HE      HIS  15  -0.881   5.042  -5.925
  123    HE2  HIS  15           2HE      HIS  15  -0.178   4.292  -3.550
  124    H    TRP  16           H        TRP  16   2.765   8.201  -1.156
  125    HA   TRP  16           HA       TRP  16   2.393  10.737   0.215
  126   1HB   TRP  16          1HB       TRP  16   1.617   9.298   1.717
  127   2HB   TRP  16          2HB       TRP  16   2.368   7.921   0.935
  128    HD1  TRP  16           HD       TRP  16   4.028   6.749   2.561
  129    HE1  TRP  16           1HE      TRP  16   5.694   7.389   4.505
  130    HE3  TRP  16           3HE      TRP  16   3.118  11.749   2.404
  131    HZ2  TRP  16           2HZ      TRP  16   6.428   9.860   5.731
  132    HZ3  TRP  16           3HZ      TRP  16   4.351  13.205   4.008
  133    HH2  TRP  16           HH       TRP  16   5.958  12.335   5.632
  134    H    THR  17           H        THR  17   4.941   8.206   0.639
  135    HA   THR  17           HA       THR  17   7.069   9.420  -0.549
  136    HB   THR  17           HB       THR  17   6.104  11.004   1.667
  137    HG1  THR  17           1HG      THR  17   7.137  11.658  -0.384
  138   1HG2  THR  17          1HG2      THR  17   8.122  11.194   3.018
  139   2HG2  THR  17          2HG2      THR  17   7.657   9.476   3.034
  140   3HG2  THR  17          3HG2      THR  17   8.986  10.029   1.987
  141    H    ALA  18           H        ALA  18   9.158   8.521   0.124
  142    HA   ALA  18           HA       ALA  18   9.291   6.665   2.237
  143   1HB   ALA  18          1HB       ALA  18   9.658   4.795   0.239
  144   2HB   ALA  18          2HB       ALA  18   8.195   4.950   1.242
  145   3HB   ALA  18          3HB       ALA  18   8.260   5.719  -0.362
  Start of MODEL    4
    1   1H    ILE   1          H         ILE   1  -4.139 -12.901   2.236
    2    HA   ILE   1           HA       ILE   1  -5.370 -11.499   4.447
    3    HB   ILE   1           HB       ILE   1  -2.688 -10.669   3.331
    4   1HG1  ILE   1          1HG1      ILE   1  -2.958 -11.061   6.227
    5   2HG1  ILE   1          2HG1      ILE   1  -3.204 -12.534   5.310
    6   1HG2  ILE   1          1HG2      ILE   1  -3.794  -9.254   5.665
    7   2HG2  ILE   1          2HG2      ILE   1  -2.938  -8.632   4.234
    8   3HG2  ILE   1          3HG2      ILE   1  -4.679  -8.989   4.143
    9   1HD1  ILE   1          1HD1      ILE   1  -0.824 -12.306   5.819
   10   2HD1  ILE   1          2HD1      ILE   1  -1.055 -12.082   4.069
   11   3HD1  ILE   1          3HD1      ILE   1  -0.795 -10.670   5.120
   12    H    ASN   2           H        ASN   2  -3.721  -9.449   2.246
   13    HA   ASN   2           HA       ASN   2  -5.704  -9.636   0.205
   14   1HB   ASN   2          1HB       ASN   2  -6.486  -8.086   2.296
   15   2HB   ASN   2          2HB       ASN   2  -5.499  -6.899   1.468
   16   1HD2  ASN   2          1HD2      ASN   2  -8.528  -7.854   1.843
   17   2HD2  ASN   2          2HD2      ASN   2  -9.235  -7.489   0.305
   18    H    TYR   3           H        TYR   3  -5.031  -8.346  -1.698
   19    HA   TYR   3           HA       TYR   3  -2.199  -7.678  -1.600
   20   1HB   TYR   3          1HB       TYR   3  -3.540  -9.173  -3.330
   21   2HB   TYR   3          2HB       TYR   3  -4.203  -7.666  -3.930
   22    HD1  TYR   3           1HD      TYR   3  -1.370  -9.909  -3.977
   23    HD2  TYR   3           2HD      TYR   3  -2.631  -5.927  -4.903
   24    HE1  TYR   3           1HE      TYR   3   0.652  -9.613  -5.490
   25    HE2  TYR   3           2HE      TYR   3  -0.605  -5.644  -6.413
   26    HH   TYR   3           HH       TYR   3   1.940  -8.017  -6.477
   27    H    TRP   4           H        TRP   4  -5.283  -6.134  -1.407
   28    HA   TRP   4           HA       TRP   4  -4.282  -3.661  -2.575
   29   1HB   TRP   4          1HB       TRP   4  -6.993  -4.534  -1.578
   30   2HB   TRP   4          2HB       TRP   4  -6.632  -2.883  -2.040
   31    HD1  TRP   4           HD       TRP   4  -8.244  -5.701  -3.541
   32    HE1  TRP   4           1HE      TRP   4  -8.163  -5.787  -6.177
   33    HE3  TRP   4           3HE      TRP   4  -4.470  -2.333  -4.058
   34    HZ2  TRP   4           2HZ      TRP   4  -6.567  -4.466  -8.139
   35    HZ3  TRP   4           3HZ      TRP   4  -3.710  -1.786  -6.369
   36    HH2  TRP   4           HH       TRP   4  -4.694  -2.792  -8.367
   37    H    LEU   5           H        LEU   5  -5.223  -5.219   0.522
   38    HA   LEU   5           HA       LEU   5  -4.626  -2.763   1.957
   39   1HB   LEU   5          1HB       LEU   5  -5.591  -5.435   2.984
   40   2HB   LEU   5          2HB       LEU   5  -5.485  -3.941   3.894
   41    HG   LEU   5           HG       LEU   5  -7.652  -3.706   3.403
   42   1HD1  LEU   5          1HD1      LEU   5  -6.479  -2.039   1.902
   43   2HD1  LEU   5          2HD1      LEU   5  -6.819  -3.148   0.552
   44   3HD1  LEU   5          3HD1      LEU   5  -8.162  -2.433   1.475
   45   1HD2  LEU   5          1HD2      LEU   5  -7.422  -6.136   2.387
   46   2HD2  LEU   5          2HD2      LEU   5  -8.896  -5.164   2.159
   47   3HD2  LEU   5          3HD2      LEU   5  -7.687  -5.267   0.856
   48    H    ALA   6           H        ALA   6  -2.543  -4.263   0.409
   49    HA   ALA   6           HA       ALA   6  -0.698  -4.570   2.648
   50   1HB   ALA   6          1HB       ALA   6  -1.211  -6.614   0.455
   51   2HB   ALA   6          2HB       ALA   6   0.247  -6.612   1.476
   52   3HB   ALA   6          3HB       ALA   6  -1.355  -6.844   2.214
   53    H    HIS   7           H        HIS   7  -1.214  -4.435  -0.934
   54    HA   HIS   7           HA       HIS   7   1.424  -3.269  -1.214
   55   1HB   HIS   7          1HB       HIS   7  -0.645  -4.117  -3.260
   56   2HB   HIS   7          2HB       HIS   7   0.919  -3.433  -3.655
   57    HD1  HIS   7           1HD      HIS   7   1.184  -5.834  -4.933
   58    HD2  HIS   7           2HD      HIS   7   1.239  -5.907  -0.739
   59    HE1  HIS   7           1HE      HIS   7   2.194  -8.082  -4.270
   60    HE2  HIS   7           2HE      HIS   7   2.252  -8.046  -1.683
   61    H    ALA   8           H        ALA   8  -2.060  -2.463  -1.490
   62    HA   ALA   8           HA       ALA   8  -1.532   0.159  -2.506
   63   1HB   ALA   8          1HB       ALA   8  -3.742   0.094  -2.947
   64   2HB   ALA   8          2HB       ALA   8  -3.711  -1.588  -2.367
   65   3HB   ALA   8          3HB       ALA   8  -4.143  -0.270  -1.252
   66    H    LYS   9           H        LYS   9  -1.172  -1.355   0.527
   67    HA   LYS   9           HA       LYS   9  -1.729   1.128   1.967
   68   1HB   LYS   9          1HB       LYS   9  -2.482  -1.393   2.577
   69   2HB   LYS   9          2HB       LYS   9  -0.943  -1.350   3.413
   70   1HG   LYS   9          1HG       LYS   9  -1.681   0.867   4.465
   71   2HG   LYS   9          2HG       LYS   9  -3.265   0.600   3.766
   72   1HD   LYS   9          1HD       LYS   9  -3.295  -1.674   4.964
   73   2HD   LYS   9          2HD       LYS   9  -1.839  -1.172   5.800
   74   1HE   LYS   9          1HE       LYS   9  -3.300   1.010   6.354
   75   2HE   LYS   9          2HE       LYS   9  -4.643  -0.074   6.047
   76   1HZ   LYS   9          1HZ       LYS   9  -2.550  -1.093   7.747
   77   2HZ   LYS   9          2HZ       LYS   9  -3.466   0.103   8.375
   78   3HZ   LYS   9          3HZ       LYS   9  -4.168  -1.279   7.861
   79    H    ALA  10           H        ALA  10   0.828  -1.397   1.490
   80    HA   ALA  10           HA       ALA  10   2.773   0.261   2.802
   81   1HB   ALA  10          1HB       ALA  10   4.304  -1.608   2.137
   82   2HB   ALA  10          2HB       ALA  10   2.871  -2.160   3.037
   83   3HB   ALA  10          3HB       ALA  10   2.946  -2.365   1.270
   84    H    GLY  11           H        GLY  11   1.708  -0.527  -0.518
   85   1HA   GLY  11          1HA       GLY  11   3.960   0.829  -1.732
   86   2HA   GLY  11          2HA       GLY  11   2.586   0.094  -2.534
   87    H    TYR  12           H        TYR  12   1.626   2.102   0.112
   88    HA   TYR  12           HA       TYR  12   0.596   4.056  -1.762
   89   1HB   TYR  12          1HB       TYR  12  -0.889   4.487   0.061
   90   2HB   TYR  12          2HB       TYR  12  -0.476   2.811   0.368
   91    HD1  TYR  12           1HD      TYR  12  -1.418   5.079   2.324
   92    HD2  TYR  12           2HD      TYR  12   2.401   3.397   1.380
   93    HE1  TYR  12           1HE      TYR  12  -0.561   5.709   4.634
   94    HE2  TYR  12           2HE      TYR  12   3.245   4.032   3.693
   95    HH   TYR  12           HH       TYR  12   1.099   5.674   6.006
   96    H    ILE  13           H        ILE  13   3.580   3.815  -0.992
   97    HA   ILE  13           HA       ILE  13   3.899   6.425   0.287
   98    HB   ILE  13           HB       ILE  13   6.324   5.664   0.379
   99   1HG1  ILE  13          1HG1      ILE  13   6.786   3.299   0.210
  100   2HG1  ILE  13          2HG1      ILE  13   5.110   2.940  -0.158
  101   1HG2  ILE  13          1HG2      ILE  13   4.012   4.851   1.984
  102   2HG2  ILE  13          2HG2      ILE  13   5.431   3.796   2.190
  103   3HG2  ILE  13          3HG2      ILE  13   5.574   5.547   2.479
  104   1HD1  ILE  13          1HD1      ILE  13   6.657   4.877  -1.904
  105   2HD1  ILE  13          2HD1      ILE  13   6.825   3.120  -2.134
  106   3HD1  ILE  13          3HD1      ILE  13   5.232   3.893  -2.318
  107    H    VAL  14           H        VAL  14   3.446   5.152  -2.752
  108    HA   VAL  14           HA       VAL  14   5.537   6.548  -4.120
  109    HB   VAL  14           HB       VAL  14   2.977   5.315  -5.156
  110   1HG1  VAL  14          1HG1      VAL  14   3.617   6.165  -7.120
  111   2HG1  VAL  14          2HG1      VAL  14   5.148   6.756  -6.432
  112   3HG1  VAL  14          3HG1      VAL  14   5.035   5.092  -7.055
  113   1HG2  VAL  14          1HG2      VAL  14   4.541   3.381  -5.737
  114   2HG2  VAL  14          2HG2      VAL  14   5.699   4.112  -4.600
  115   3HG2  VAL  14          3HG2      VAL  14   4.105   3.569  -4.021
  116    H    HIS  15           H        HIS  15   2.418   7.315  -2.758
  117    HA   HIS  15           HA       HIS  15   2.413   9.802  -4.307
  118   1HB   HIS  15          1HB       HIS  15  -0.078   9.291  -2.943
  119   2HB   HIS  15          2HB       HIS  15   0.228   9.570  -4.646
  120    HD1  HIS  15           1HD      HIS  15  -0.585   7.689  -6.056
  121    HD2  HIS  15           2HD      HIS  15   0.775   6.363  -2.316
  122    HE1  HIS  15           1HE      HIS  15  -0.921   5.160  -6.029
  123    HE2  HIS  15           2HE      HIS  15  -0.017   4.395  -3.728
  124    H    TRP  16           H        TRP  16   2.952   8.316  -1.250
  125    HA   TRP  16           HA       TRP  16   2.361  10.796   0.183
  126   1HB   TRP  16          1HB       TRP  16   1.540   9.318   1.621
  127   2HB   TRP  16          2HB       TRP  16   2.341   7.966   0.845
  128    HD1  TRP  16           HD       TRP  16   3.949   6.779   2.511
  129    HE1  TRP  16           1HE      TRP  16   5.517   7.395   4.543
  130    HE3  TRP  16           3HE      TRP  16   2.969  11.768   2.435
  131    HZ2  TRP  16           2HZ      TRP  16   6.156   9.844   5.861
  132    HZ3  TRP  16           3HZ      TRP  16   4.105  13.201   4.129
  133    HH2  TRP  16           HH       TRP  16   5.652  12.315   5.801
  134    H    THR  17           H        THR  17   4.927   8.293   0.672
  135    HA   THR  17           HA       THR  17   7.087   9.577  -0.385
  136    HB   THR  17           HB       THR  17   5.995  11.078   1.824
  137    HG1  THR  17           1HG      THR  17   8.456  11.010   0.230
  138   1HG2  THR  17          1HG2      THR  17   8.808   9.951   2.282
  139   2HG2  THR  17          2HG2      THR  17   8.066  11.284   3.198
  140   3HG2  THR  17          3HG2      THR  17   7.399   9.639   3.325
  141    H    ALA  18           H        ALA  18   9.170   8.715   0.400
  142    HA   ALA  18           HA       ALA  18   9.219   6.772   2.434
  143   1HB   ALA  18          1HB       ALA  18   8.320   5.913  -0.229
  144   2HB   ALA  18          2HB       ALA  18   9.752   5.021   0.340
  145   3HB   ALA  18          3HB       ALA  18   8.270   5.048   1.326
  Start of MODEL    5
    1   1H    ILE   1          H         ILE   1  -1.434 -11.344   4.636
    2    HA   ILE   1           HA       ILE   1  -3.243 -11.899   3.102
    3    HB   ILE   1           HB       ILE   1  -3.900 -12.135   5.293
    4   1HG1  ILE   1          1HG1      ILE   1  -6.151 -11.043   5.490
    5   2HG1  ILE   1          2HG1      ILE   1  -5.772 -10.090   4.069
    6   1HG2  ILE   1          1HG2      ILE   1  -4.559  -9.690   6.426
    7   2HG2  ILE   1          2HG2      ILE   1  -3.109 -10.665   6.766
    8   3HG2  ILE   1          3HG2      ILE   1  -3.041  -9.362   5.555
    9   1HD1  ILE   1          1HD1      ILE   1  -6.703 -11.831   2.919
   10   2HD1  ILE   1          2HD1      ILE   1  -5.135 -12.630   3.185
   11   3HD1  ILE   1          3HD1      ILE   1  -6.499 -12.958   4.281
   12    H    ASN   2           H        ASN   2  -4.380 -11.241   1.343
   13    HA   ASN   2           HA       ASN   2  -5.432  -9.937  -0.055
   14   1HB   ASN   2          1HB       ASN   2  -5.677  -8.422   2.356
   15   2HB   ASN   2          2HB       ASN   2  -5.136  -7.276   1.145
   16   1HD2  ASN   2          1HD2      ASN   2  -7.735  -8.946   2.448
   17   2HD2  ASN   2          2HD2      ASN   2  -8.944  -8.620   1.251
   18    H    TYR   3           H        TYR   3  -4.803  -8.389  -1.802
   19    HA   TYR   3           HA       TYR   3  -1.933  -7.785  -1.702
   20   1HB   TYR   3          1HB       TYR   3  -3.181  -9.331  -3.457
   21   2HB   TYR   3          2HB       TYR   3  -3.889  -7.850  -4.072
   22    HD1  TYR   3           1HD      TYR   3  -0.890  -9.916  -3.926
   23    HD2  TYR   3           2HD      TYR   3  -2.447  -6.122  -5.147
   24    HE1  TYR   3           1HE      TYR   3   1.149  -9.544  -5.399
   25    HE2  TYR   3           2HE      TYR   3  -0.402  -5.764  -6.615
   26    HH   TYR   3           HH       TYR   3   2.249  -8.112  -6.618
   27    H    TRP   4           H        TRP   4  -5.057  -6.355  -1.514
   28    HA   TRP   4           HA       TRP   4  -4.118  -3.840  -2.661
   29   1HB   TRP   4          1HB       TRP   4  -6.829  -4.864  -1.833
   30   2HB   TRP   4          2HB       TRP   4  -6.535  -3.173  -2.185
   31    HD1  TRP   4           HD       TRP   4  -7.924  -5.969  -3.921
   32    HE1  TRP   4           1HE      TRP   4  -7.701  -5.905  -6.550
   33    HE3  TRP   4           3HE      TRP   4  -4.292  -2.413  -4.051
   34    HZ2  TRP   4           2HZ      TRP   4  -6.068  -4.407  -8.348
   35    HZ3  TRP   4           3HZ      TRP   4  -3.438  -1.706  -6.284
   36    HH2  TRP   4           HH       TRP   4  -4.267  -2.642  -8.384
   37    H    LEU   5           H        LEU   5  -5.079  -5.487   0.374
   38    HA   LEU   5           HA       LEU   5  -4.692  -3.021   1.863
   39   1HB   LEU   5          1HB       LEU   5  -5.540  -5.767   2.793
   40   2HB   LEU   5          2HB       LEU   5  -5.524  -4.305   3.759
   41    HG   LEU   5           HG       LEU   5  -7.684  -4.137   3.219
   42   1HD1  LEU   5          1HD1      LEU   5  -8.209  -2.857   1.286
   43   2HD1  LEU   5          2HD1      LEU   5  -6.578  -2.370   1.807
   44   3HD1  LEU   5          3HD1      LEU   5  -6.779  -3.459   0.413
   45   1HD2  LEU   5          1HD2      LEU   5  -7.360  -5.795   0.711
   46   2HD2  LEU   5          2HD2      LEU   5  -7.563  -6.498   2.334
   47   3HD2  LEU   5          3HD2      LEU   5  -8.844  -5.475   1.641
   48    H    ALA   6           H        ALA   6  -2.452  -4.292   0.380
   49    HA   ALA   6           HA       ALA   6  -0.668  -4.512   2.667
   50   1HB   ALA   6          1HB       ALA   6  -1.405  -6.838   2.015
   51   2HB   ALA   6          2HB       ALA   6  -0.677  -6.558   0.415
   52   3HB   ALA   6          3HB       ALA   6   0.347  -6.556   1.871
   53    H    HIS   7           H        HIS   7  -1.091  -4.456  -0.929
   54    HA   HIS   7           HA       HIS   7   1.492  -3.183  -1.180
   55   1HB   HIS   7          1HB       HIS   7  -0.549  -4.040  -3.250
   56   2HB   HIS   7          2HB       HIS   7   1.013  -3.337  -3.619
   57    HD1  HIS   7           1HD      HIS   7   1.275  -5.737  -4.924
   58    HD2  HIS   7           2HD      HIS   7   1.363  -5.827  -0.731
   59    HE1  HIS   7           1HE      HIS   7   2.310  -7.978  -4.278
   60    HE2  HIS   7           2HE      HIS   7   2.387  -7.952  -1.692
   61    H    ALA   8           H        ALA   8  -2.006  -2.456  -1.390
   62    HA   ALA   8           HA       ALA   8  -1.564   0.181  -2.411
   63   1HB   ALA   8          1HB       ALA   8  -3.676  -1.587  -2.338
   64   2HB   ALA   8          2HB       ALA   8  -4.127  -0.425  -1.067
   65   3HB   ALA   8          3HB       ALA   8  -3.811   0.146  -2.723
   66    H    LYS   9           H        LYS   9  -1.110  -1.339   0.610
   67    HA   LYS   9           HA       LYS   9  -1.684   1.130   2.069
   68   1HB   LYS   9          1HB       LYS   9  -2.249  -1.509   2.661
   69   2HB   LYS   9          2HB       LYS   9  -0.801  -1.217   3.603
   70   1HG   LYS   9          1HG       LYS   9  -2.131   1.090   4.161
   71   2HG   LYS   9          2HG       LYS   9  -3.510   0.060   3.833
   72   1HD   LYS   9          1HD       LYS   9  -2.924  -1.482   5.578
   73   2HD   LYS   9          2HD       LYS   9  -1.293  -0.852   5.705
   74   1HE   LYS   9          1HE       LYS   9  -2.778   1.426   6.218
   75   2HE   LYS   9          2HE       LYS   9  -3.823   0.190   6.888
   76   1HZ   LYS   9          1HZ       LYS   9  -1.745   1.231   8.158
   77   2HZ   LYS   9          2HZ       LYS   9  -2.369  -0.238   8.500
   78   3HZ   LYS   9          3HZ       LYS   9  -1.052  -0.114   7.543
   79    H    ALA  10           H        ALA  10   0.910  -1.347   1.537
   80    HA   ALA  10           HA       ALA  10   2.849   0.348   2.810
   81   1HB   ALA  10          1HB       ALA  10   4.266  -1.494   2.631
   82   2HB   ALA  10          2HB       ALA  10   2.669  -2.279   2.687
   83   3HB   ALA  10          3HB       ALA  10   3.502  -2.068   1.129
   84    H    GLY  11           H        GLY  11   1.734  -0.466  -0.487
   85   1HA   GLY  11          1HA       GLY  11   3.937   0.920  -1.751
   86   2HA   GLY  11          2HA       GLY  11   2.553   0.170  -2.522
   87    H    TYR  12           H        TYR  12   1.612   2.156   0.141
   88    HA   TYR  12           HA       TYR  12   0.532   4.106  -1.710
   89   1HB   TYR  12          1HB       TYR  12  -0.934   4.506   0.134
   90   2HB   TYR  12          2HB       TYR  12  -0.487   2.838   0.437
   91    HD1  TYR  12           1HD      TYR  12  -1.437   5.103   2.400
   92    HD2  TYR  12           2HD      TYR  12   2.391   3.466   1.410
   93    HE1  TYR  12           1HE      TYR  12  -0.558   5.751   4.696
   94    HE2  TYR  12           2HE      TYR  12   3.257   4.121   3.709
   95    HH   TYR  12           HH       TYR  12   1.261   4.920   6.225
   96    H    ILE  13           H        ILE  13   3.530   3.895  -0.976
   97    HA   ILE  13           HA       ILE  13   3.837   6.504   0.308
   98    HB   ILE  13           HB       ILE  13   6.274   5.773   0.352
   99   1HG1  ILE  13          1HG1      ILE  13   6.762   3.416   0.161
  100   2HG1  ILE  13          2HG1      ILE  13   5.085   3.036  -0.174
  101   1HG2  ILE  13          1HG2      ILE  13   5.443   3.889   2.172
  102   2HG2  ILE  13          2HG2      ILE  13   5.556   5.641   2.464
  103   3HG2  ILE  13          3HG2      ILE  13   4.000   4.916   1.993
  104   1HD1  ILE  13          1HD1      ILE  13   6.754   3.245  -2.184
  105   2HD1  ILE  13          2HD1      ILE  13   5.149   4.002  -2.331
  106   3HD1  ILE  13          3HD1      ILE  13   6.572   4.999  -1.943
  107    H    VAL  14           H        VAL  14   3.353   5.241  -2.731
  108    HA   VAL  14           HA       VAL  14   5.401   6.673  -4.125
  109    HB   VAL  14           HB       VAL  14   2.862   5.299  -5.027
  110   1HG1  VAL  14          1HG1      VAL  14   4.818   6.949  -6.480
  111   2HG1  VAL  14          2HG1      VAL  14   4.555   5.342  -7.198
  112   3HG1  VAL  14          3HG1      VAL  14   3.177   6.439  -6.941
  113   1HG2  VAL  14          1HG2      VAL  14   4.683   3.657  -5.930
  114   2HG2  VAL  14          2HG2      VAL  14   5.720   4.411  -4.695
  115   3HG2  VAL  14          3HG2      VAL  14   4.214   3.593  -4.214
  116    H    HIS  15           H        HIS  15   2.290   7.390  -2.713
  117    HA   HIS  15           HA       HIS  15   2.232   9.887  -4.244
  118   1HB   HIS  15          1HB       HIS  15  -0.228   9.337  -2.838
  119   2HB   HIS  15          2HB       HIS  15   0.043   9.632  -4.543
  120    HD1  HIS  15           1HD      HIS  15  -0.766   7.752  -5.955
  121    HD2  HIS  15           2HD      HIS  15   0.667   6.415  -2.246
  122    HE1  HIS  15           1HE      HIS  15  -1.072   5.219  -5.941
  123    HE2  HIS  15           2HE      HIS  15  -0.124   4.449  -3.660
  124    H    TRP  16           H        TRP  16   2.834   8.389  -1.202
  125    HA   TRP  16           HA       TRP  16   2.242  10.854   0.254
  126   1HB   TRP  16          1HB       TRP  16   1.466   9.357   1.697
  127   2HB   TRP  16          2HB       TRP  16   2.272   8.020   0.899
  128    HD1  TRP  16           HD       TRP  16   3.923   6.846   2.533
  129    HE1  TRP  16           1HE      TRP  16   5.517   7.473   4.540
  130    HE3  TRP  16           3HE      TRP  16   2.878  11.822   2.498
  131    HZ2  TRP  16           2HZ      TRP  16   6.149   9.924   5.858
  132    HZ3  TRP  16           3HZ      TRP  16   4.026  13.262   4.178
  133    HH2  TRP  16           HH       TRP  16   5.612  12.388   5.819
  134    H    THR  17           H        THR  17   4.848   8.382   0.684
  135    HA   THR  17           HA       THR  17   6.972   9.700  -0.405
  136    HB   THR  17           HB       THR  17   5.900  11.175   1.833
  137    HG1  THR  17           1HG      THR  17   7.109  12.524   0.563
  138   1HG2  THR  17          1HG2      THR  17   8.718  10.037   2.236
  139   2HG2  THR  17          2HG2      THR  17   8.033  11.410   3.138
  140   3HG2  THR  17          3HG2      THR  17   7.332   9.785   3.324
  141    H    ALA  18           H        ALA  18   9.080   8.860   0.336
  142    HA   ALA  18           HA       ALA  18   9.190   6.907   2.359
  143   1HB   ALA  18          1HB       ALA  18   8.244   5.178   1.256
  144   2HB   ALA  18          2HB       ALA  18   8.259   6.052  -0.294
  145   3HB   ALA  18          3HB       ALA  18   9.710   5.176   0.246
  Start of MODEL    6
    1   1H    ILE   1          H         ILE   1  -1.251 -10.352   2.960
    2    HA   ILE   1           HA       ILE   1  -3.233 -11.998   2.755
    3    HB   ILE   1           HB       ILE   1  -3.783 -12.346   4.961
    4   1HG1  ILE   1          1HG1      ILE   1  -5.990 -11.185   5.338
    5   2HG1  ILE   1          2HG1      ILE   1  -5.659 -10.205   3.923
    6   1HG2  ILE   1          1HG2      ILE   1  -4.322  -9.987   6.287
    7   2HG2  ILE   1          2HG2      ILE   1  -2.849 -10.973   6.451
    8   3HG2  ILE   1          3HG2      ILE   1  -2.874  -9.591   5.329
    9   1HD1  ILE   1          1HD1      ILE   1  -5.905 -13.245   4.015
   10   2HD1  ILE   1          2HD1      ILE   1  -7.021 -12.100   3.232
   11   3HD1  ILE   1          3HD1      ILE   1  -5.383 -12.335   2.576
   12    H    ASN   2           H        ASN   2  -4.443 -11.214   1.099
   13    HA   ASN   2           HA       ASN   2  -5.526  -9.807  -0.168
   14   1HB   ASN   2          1HB       ASN   2  -5.609  -8.428   2.337
   15   2HB   ASN   2          2HB       ASN   2  -5.115  -7.227   1.160
   16   1HD2  ASN   2          1HD2      ASN   2  -7.667  -8.946   2.506
   17   2HD2  ASN   2          2HD2      ASN   2  -8.935  -8.528   1.402
   18    H    TYR   3           H        TYR   3  -4.951  -8.156  -1.845
   19    HA   TYR   3           HA       TYR   3  -2.066  -7.600  -1.839
   20   1HB   TYR   3          1HB       TYR   3  -3.427  -9.061  -3.605
   21   2HB   TYR   3          2HB       TYR   3  -4.084  -7.531  -4.151
   22    HD1  TYR   3           1HD      TYR   3  -2.586  -5.820  -5.185
   23    HD2  TYR   3           2HD      TYR   3  -1.179  -9.727  -4.155
   24    HE1  TYR   3           1HE      TYR   3  -0.559  -5.492  -6.683
   25    HE2  TYR   3           2HE      TYR   3   0.844  -9.386  -5.656
   26    HH   TYR   3           HH       TYR   3   1.246  -6.359  -7.480
   27    H    TRP   4           H        TRP   4  -5.113  -6.150  -1.353
   28    HA   TRP   4           HA       TRP   4  -4.222  -3.598  -2.476
   29   1HB   TRP   4          1HB       TRP   4  -6.914  -4.598  -1.547
   30   2HB   TRP   4          2HB       TRP   4  -6.595  -2.917  -1.924
   31    HD1  TRP   4           HD       TRP   4  -8.107  -5.714  -3.574
   32    HE1  TRP   4           1HE      TRP   4  -8.013  -5.661  -6.211
   33    HE3  TRP   4           3HE      TRP   4  -4.455  -2.190  -3.897
   34    HZ2  TRP   4           2HZ      TRP   4  -6.458  -4.185  -8.093
   35    HZ3  TRP   4           3HZ      TRP   4  -3.706  -1.499  -6.173
   36    HH2  TRP   4           HH       TRP   4  -4.646  -2.436  -8.225
   37    H    LEU   5           H        LEU   5  -5.133  -5.354   0.522
   38    HA   LEU   5           HA       LEU   5  -4.624  -2.966   2.097
   39   1HB   LEU   5          1HB       LEU   5  -5.492  -5.721   2.978
   40   2HB   LEU   5          2HB       LEU   5  -5.462  -4.266   3.955
   41    HG   LEU   5           HG       LEU   5  -7.634  -4.116   3.449
   42   1HD1  LEU   5          1HD1      LEU   5  -6.809  -3.366   0.641
   43   2HD1  LEU   5          2HD1      LEU   5  -8.177  -2.752   1.600
   44   3HD1  LEU   5          3HD1      LEU   5  -6.509  -2.321   2.050
   45   1HD2  LEU   5          1HD2      LEU   5  -8.802  -5.417   1.849
   46   2HD2  LEU   5          2HD2      LEU   5  -7.329  -5.695   0.889
   47   3HD2  LEU   5          3HD2      LEU   5  -7.502  -6.451   2.491
   48    H    ALA   6           H        ALA   6  -2.485  -4.310   0.480
   49    HA   ALA   6           HA       ALA   6  -0.630  -4.645   2.701
   50   1HB   ALA   6          1HB       ALA   6  -1.673  -6.851   1.359
   51   2HB   ALA   6          2HB       ALA   6  -0.131  -6.550   0.522
   52   3HB   ALA   6          3HB       ALA   6  -0.152  -6.812   2.282
   53    H    HIS   7           H        HIS   7  -1.164  -4.446  -0.876
   54    HA   HIS   7           HA       HIS   7   1.446  -3.225  -1.153
   55   1HB   HIS   7          1HB       HIS   7  -0.652  -4.004  -3.198
   56   2HB   HIS   7          2HB       HIS   7   0.910  -3.309  -3.586
   57    HD1  HIS   7           1HD      HIS   7   1.135  -5.671  -4.954
   58    HD2  HIS   7           2HD      HIS   7   1.275  -5.882  -0.767
   59    HE1  HIS   7           1HE      HIS   7   2.151  -7.941  -4.387
   60    HE2  HIS   7           2HE      HIS   7   2.262  -7.991  -1.802
   61    H    ALA   8           H        ALA   8  -2.047  -2.439  -1.315
   62    HA   ALA   8           HA       ALA   8  -1.561   0.223  -2.249
   63   1HB   ALA   8          1HB       ALA   8  -3.719  -1.543  -2.156
   64   2HB   ALA   8          2HB       ALA   8  -4.144  -0.295  -0.960
   65   3HB   ALA   8          3HB       ALA   8  -3.782   0.169  -2.640
   66    H    LYS   9           H        LYS   9  -1.118  -1.398   0.712
   67    HA   LYS   9           HA       LYS   9  -1.674   1.022   2.258
   68   1HB   LYS   9          1HB       LYS   9  -2.234  -1.654   2.752
   69   2HB   LYS   9          2HB       LYS   9  -0.819  -1.353   3.740
   70   1HG   LYS   9          1HG       LYS   9  -2.235   0.926   4.276
   71   2HG   LYS   9          2HG       LYS   9  -3.563  -0.167   3.938
   72   1HD   LYS   9          1HD       LYS   9  -2.520  -1.816   5.589
   73   2HD   LYS   9          2HD       LYS   9  -1.357  -0.575   6.009
   74   1HE   LYS   9          1HE       LYS   9  -3.155   0.932   6.765
   75   2HE   LYS   9          2HE       LYS   9  -4.381  -0.186   6.201
   76   1HZ   LYS   9          1HZ       LYS   9  -2.393  -0.833   8.266
   77   2HZ   LYS   9          2HZ       LYS   9  -3.927  -0.364   8.573
   78   3HZ   LYS   9          3HZ       LYS   9  -3.644  -1.773   7.799
   79    H    ALA  10           H        ALA  10   0.894  -1.439   1.581
   80    HA   ALA  10           HA       ALA  10   2.852   0.176   2.939
   81   1HB   ALA  10          1HB       ALA  10   3.619  -2.108   1.168
   82   2HB   ALA  10          2HB       ALA  10   4.168  -1.700   2.811
   83   3HB   ALA  10          3HB       ALA  10   2.588  -2.482   2.570
   84    H    GLY  11           H        GLY  11   1.724  -0.496  -0.387
   85   1HA   GLY  11          1HA       GLY  11   3.936   0.925  -1.596
   86   2HA   GLY  11          2HA       GLY  11   2.550   0.212  -2.396
   87    H    TYR  12           H        TYR  12   1.629   2.104   0.346
   88    HA   TYR  12           HA       TYR  12   0.561   4.130  -1.432
   89   1HB   TYR  12          1HB       TYR  12  -0.924   4.446   0.408
   90   2HB   TYR  12          2HB       TYR  12  -0.467   2.774   0.664
   91    HD1  TYR  12           1HD      TYR  12  -1.431   5.027   2.666
   92    HD2  TYR  12           2HD      TYR  12   2.380   3.338   1.701
   93    HE1  TYR  12           1HE      TYR  12  -0.575   5.612   4.987
   94    HE2  TYR  12           2HE      TYR  12   3.222   3.929   4.025
   95    HH   TYR  12           HH       TYR  12   2.807   5.072   5.850
   96    H    ILE  13           H        ILE  13   3.528   3.959  -0.876
   97    HA   ILE  13           HA       ILE  13   3.827   6.529   0.512
   98    HB   ILE  13           HB       ILE  13   6.264   5.728   0.659
   99   1HG1  ILE  13          1HG1      ILE  13   6.550   3.281   0.733
  100   2HG1  ILE  13          2HG1      ILE  13   4.907   3.061   0.165
  101   1HG2  ILE  13          1HG2      ILE  13   3.944   5.286   2.307
  102   2HG2  ILE  13          2HG2      ILE  13   5.114   3.964   2.528
  103   3HG2  ILE  13          3HG2      ILE  13   5.620   5.651   2.780
  104   1HD1  ILE  13          1HD1      ILE  13   6.629   4.882  -1.477
  105   2HD1  ILE  13          2HD1      ILE  13   7.036   3.149  -1.511
  106   3HD1  ILE  13          3HD1      ILE  13   5.412   3.691  -1.997
  107    H    VAL  14           H        VAL  14   3.929   4.857  -2.518
  108    HA   VAL  14           HA       VAL  14   5.895   6.486  -3.759
  109    HB   VAL  14           HB       VAL  14   3.688   4.728  -4.845
  110   1HG1  VAL  14          1HG1      VAL  14   4.166   6.144  -6.644
  111   2HG1  VAL  14          2HG1      VAL  14   5.892   6.256  -6.226
  112   3HG1  VAL  14          3HG1      VAL  14   5.241   4.752  -6.920
  113   1HG2  VAL  14          1HG2      VAL  14   6.134   3.545  -5.391
  114   2HG2  VAL  14          2HG2      VAL  14   6.359   4.214  -3.757
  115   3HG2  VAL  14          3HG2      VAL  14   5.017   3.090  -4.082
  116    H    HIS  15           H        HIS  15   2.666   7.017  -2.683
  117    HA   HIS  15           HA       HIS  15   2.447   9.284  -4.527
  118   1HB   HIS  15          1HB       HIS  15  -0.033   8.634  -3.197
  119   2HB   HIS  15          2HB       HIS  15   0.320   8.760  -4.909
  120    HD1  HIS  15           1HD      HIS  15  -0.205   6.652  -6.121
  121    HD2  HIS  15           2HD      HIS  15   1.127   5.917  -2.212
  122    HE1  HIS  15           1HE      HIS  15  -0.245   4.119  -5.817
  123    HE2  HIS  15           2HE      HIS  15   0.635   3.725  -3.415
  124    H    TRP  16           H        TRP  16   2.993   8.233  -1.293
  125    HA   TRP  16           HA       TRP  16   2.024  10.747  -0.173
  126   1HB   TRP  16          1HB       TRP  16   1.413   9.365   1.444
  127   2HB   TRP  16          2HB       TRP  16   2.363   8.044   0.795
  128    HD1  TRP  16           HD       TRP  16   4.250   7.263   2.415
  129    HE1  TRP  16           1HE      TRP  16   5.683   8.236   4.406
  130    HE3  TRP  16           3HE      TRP  16   2.342  11.970   2.181
  131    HZ2  TRP  16           2HZ      TRP  16   5.854  10.807   5.632
  132    HZ3  TRP  16           3HZ      TRP  16   3.196  13.652   3.811
  133    HH2  TRP  16           HH       TRP  16   4.891  13.134   5.494
  134    H    THR  17           H        THR  17   4.936   8.721   0.565
  135    HA   THR  17           HA       THR  17   6.701  10.815  -0.361
  136    HB   THR  17           HB       THR  17   5.754  11.182   2.154
  137    HG1  THR  17           1HG      THR  17   8.552  11.268   1.264
  138   1HG2  THR  17          1HG2      THR  17   8.383   9.823   2.744
  139   2HG2  THR  17          2HG2      THR  17   7.005  10.126   3.828
  140   3HG2  THR  17          3HG2      THR  17   6.933   8.795   2.649
  141    H    ALA  18           H        ALA  18   8.991  10.158  -0.275
  142    HA   ALA  18           HA       ALA  18   9.870   7.690   0.533
  143   1HB   ALA  18          1HB       ALA  18   8.420   7.663  -2.093
  144   2HB   ALA  18          2HB       ALA  18   9.912   6.703  -1.951
  145   3HB   ALA  18          3HB       ALA  18   8.548   6.397  -0.849
  Start of MODEL    7
    1   1H    ILE   1          H         ILE   1  -7.098 -10.517   5.484
    2    HA   ILE   1           HA       ILE   1  -4.748 -10.906   4.623
    3    HB   ILE   1           HB       ILE   1  -5.434 -13.382   4.355
    4   1HG1  ILE   1          1HG1      ILE   1  -3.889 -12.117   2.081
    5   2HG1  ILE   1          2HG1      ILE   1  -3.257 -12.230   3.711
    6   1HG2  ILE   1          1HG2      ILE   1  -5.943 -13.032   1.522
    7   2HG2  ILE   1          2HG2      ILE   1  -6.822 -13.996   2.732
    8   3HG2  ILE   1          3HG2      ILE   1  -7.215 -12.275   2.510
    9   1HD1  ILE   1          1HD1      ILE   1  -2.550 -14.322   3.206
   10   2HD1  ILE   1          2HD1      ILE   1  -4.258 -14.819   3.154
   11   3HD1  ILE   1          3HD1      ILE   1  -3.437 -14.300   1.663
   12    H    ASN   2           H        ASN   2  -4.238 -10.088   2.352
   13    HA   ASN   2           HA       ASN   2  -6.155  -9.308   0.597
   14   1HB   ASN   2          1HB       ASN   2  -6.174  -7.646   2.985
   15   2HB   ASN   2          2HB       ASN   2  -5.607  -6.675   1.641
   16   1HD2  ASN   2          1HD2      ASN   2  -8.261  -7.857   3.258
   17   2HD2  ASN   2          2HD2      ASN   2  -9.505  -7.574   2.086
   18    H    TYR   3           H        TYR   3  -5.170  -7.913  -1.117
   19    HA   TYR   3           HA       TYR   3  -2.264  -7.636  -0.752
   20   1HB   TYR   3          1HB       TYR   3  -3.420  -9.299  -2.459
   21   2HB   TYR   3          2HB       TYR   3  -3.924  -7.863  -3.329
   22    HD1  TYR   3           1HD      TYR   3  -2.161  -6.316  -4.287
   23    HD2  TYR   3           2HD      TYR   3  -1.211 -10.167  -2.683
   24    HE1  TYR   3           1HE      TYR   3   0.065  -6.288  -5.517
   25    HE2  TYR   3           2HE      TYR   3   1.011 -10.125  -3.918
   26    HH   TYR   3           HH       TYR   3   2.551  -8.405  -4.790
   27    H    TRP   4           H        TRP   4  -5.263  -5.982  -1.190
   28    HA   TRP   4           HA       TRP   4  -3.995  -3.716  -2.508
   29   1HB   TRP   4          1HB       TRP   4  -6.856  -4.342  -1.772
   30   2HB   TRP   4          2HB       TRP   4  -6.343  -2.795  -2.417
   31    HD1  TRP   4           HD       TRP   4  -7.904  -5.758  -3.689
   32    HE1  TRP   4           1HE      TRP   4  -7.503  -6.240  -6.252
   33    HE3  TRP   4           3HE      TRP   4  -3.933  -2.622  -4.195
   34    HZ2  TRP   4           2HZ      TRP   4  -5.612  -5.277  -8.161
   35    HZ3  TRP   4           3HZ      TRP   4  -2.867  -2.452  -6.442
   36    HH2  TRP   4           HH       TRP   4  -3.645  -3.715  -8.385
   37    H    LEU   5           H        LEU   5  -5.428  -4.814   0.602
   38    HA   LEU   5           HA       LEU   5  -4.886  -2.217   1.786
   39   1HB   LEU   5          1HB       LEU   5  -6.098  -4.679   3.043
   40   2HB   LEU   5          2HB       LEU   5  -6.086  -3.052   3.695
   41    HG   LEU   5           HG       LEU   5  -8.155  -2.918   2.856
   42   1HD1  LEU   5          1HD1      LEU   5  -6.939  -2.808   0.096
   43   2HD1  LEU   5          2HD1      LEU   5  -8.331  -1.908   0.745
   44   3HD1  LEU   5          3HD1      LEU   5  -6.684  -1.522   1.300
   45   1HD2  LEU   5          1HD2      LEU   5  -9.148  -4.441   1.269
   46   2HD2  LEU   5          2HD2      LEU   5  -7.547  -5.067   0.808
   47   3HD2  LEU   5          3HD2      LEU   5  -8.180  -5.362   2.445
   48    H    ALA   6           H        ALA   6  -2.710  -4.008   0.743
   49    HA   ALA   6           HA       ALA   6  -1.197  -4.083   3.238
   50   1HB   ALA   6          1HB       ALA   6  -0.220  -6.300   2.009
   51   2HB   ALA   6          2HB       ALA   6  -1.519  -6.346   3.225
   52   3HB   ALA   6          3HB       ALA   6  -1.921  -6.386   1.492
   53    H    HIS   7           H        HIS   7  -1.230  -4.374  -0.370
   54    HA   HIS   7           HA       HIS   7   1.483  -3.343  -0.412
   55   1HB   HIS   7          1HB       HIS   7  -0.312  -4.421  -2.603
   56   2HB   HIS   7          2HB       HIS   7   1.316  -3.826  -2.861
   57    HD1  HIS   7           1HD      HIS   7   1.689  -6.375  -3.753
   58    HD2  HIS   7           2HD      HIS   7   1.118  -5.888   0.374
   59    HE1  HIS   7           1HE      HIS   7   2.509  -8.530  -2.659
   60    HE2  HIS   7           2HE      HIS   7   2.184  -8.150  -0.120
   61    H    ALA   8           H        ALA   8  -1.887  -2.501  -1.313
   62    HA   ALA   8           HA       ALA   8  -1.108  -0.059  -2.578
   63   1HB   ALA   8          1HB       ALA   8  -3.367  -1.717  -2.505
   64   2HB   ALA   8          2HB       ALA   8  -3.883  -0.229  -1.675
   65   3HB   ALA   8          3HB       ALA   8  -3.230  -0.145  -3.329
   66    H    LYS   9           H        LYS   9  -1.185  -1.132   0.642
   67    HA   LYS   9           HA       LYS   9  -1.874   1.524   1.651
   68   1HB   LYS   9          1HB       LYS   9  -2.274   0.514   3.743
   69   2HB   LYS   9          2HB       LYS   9  -2.995  -0.558   2.559
   70   1HG   LYS   9          1HG       LYS   9  -1.808  -2.046   3.960
   71   2HG   LYS   9          2HG       LYS   9  -0.721  -1.841   2.601
   72   1HD   LYS   9          1HD       LYS   9   0.886  -1.129   4.030
   73   2HD   LYS   9          2HD       LYS   9  -0.091   0.280   4.390
   74   1HE   LYS   9          1HE       LYS   9  -0.289  -0.496   6.515
   75   2HE   LYS   9          2HE       LYS   9  -1.306  -1.778   5.888
   76   1HZ   LYS   9          1HZ       LYS   9   0.547  -3.175   5.674
   77   2HZ   LYS   9          2HZ       LYS   9   1.621  -1.969   5.920
   78   3HZ   LYS   9          3HZ       LYS   9   0.688  -2.496   7.153
   79    H    ALA  10           H        ALA  10   0.703  -1.012   1.712
   80    HA   ALA  10           HA       ALA  10   2.490   0.736   3.121
   81   1HB   ALA  10          1HB       ALA  10   2.226  -1.988   2.833
   82   2HB   ALA  10          2HB       ALA  10   3.579  -1.638   1.731
   83   3HB   ALA  10          3HB       ALA  10   3.683  -1.167   3.444
   84    H    GLY  11           H        GLY  11   1.852  -0.305  -0.250
   85   1HA   GLY  11          1HA       GLY  11   4.196   1.067  -1.260
   86   2HA   GLY  11          2HA       GLY  11   2.977   0.203  -2.176
   87    H    TYR  12           H        TYR  12   1.630   2.375   0.173
   88    HA   TYR  12           HA       TYR  12   0.719   4.097  -1.968
   89   1HB   TYR  12          1HB       TYR  12  -0.938   4.645  -0.328
   90   2HB   TYR  12          2HB       TYR  12  -0.510   3.017   0.160
   91    HD1  TYR  12           1HD      TYR  12  -1.686   5.414   1.815
   92    HD2  TYR  12           2HD      TYR  12   2.243   3.782   1.372
   93    HE1  TYR  12           1HE      TYR  12  -1.063   6.268   4.128
   94    HE2  TYR  12           2HE      TYR  12   2.853   4.641   3.686
   95    HH   TYR  12           HH       TYR  12   0.432   6.287   5.694
   96    H    ILE  13           H        ILE  13   3.621   4.038  -0.774
   97    HA   ILE  13           HA       ILE  13   3.768   6.693   0.362
   98    HB   ILE  13           HB       ILE  13   5.976   6.190   0.895
   99   1HG1  ILE  13          1HG1      ILE  13   6.602   5.431  -1.416
  100   2HG1  ILE  13          2HG1      ILE  13   7.363   4.548  -0.108
  101   1HG2  ILE  13          1HG2      ILE  13   5.855   3.797   1.800
  102   2HG2  ILE  13          2HG2      ILE  13   4.612   4.951   2.342
  103   3HG2  ILE  13          3HG2      ILE  13   4.222   3.744   1.093
  104   1HD1  ILE  13          1HD1      ILE  13   5.332   2.889  -0.351
  105   2HD1  ILE  13          2HD1      ILE  13   5.129   3.651  -1.946
  106   3HD1  ILE  13          3HD1      ILE  13   6.651   2.820  -1.544
  107    H    VAL  14           H        VAL  14   3.885   5.130  -2.745
  108    HA   VAL  14           HA       VAL  14   5.655   6.790  -4.090
  109    HB   VAL  14           HB       VAL  14   3.130   5.478  -5.116
  110   1HG1  VAL  14          1HG1      VAL  14   5.087   5.351  -7.084
  111   2HG1  VAL  14          2HG1      VAL  14   3.705   6.473  -7.040
  112   3HG1  VAL  14          3HG1      VAL  14   5.286   6.982  -6.399
  113   1HG2  VAL  14          1HG2      VAL  14   4.181   3.637  -4.267
  114   2HG2  VAL  14          2HG2      VAL  14   5.044   3.745  -5.820
  115   3HG2  VAL  14          3HG2      VAL  14   5.795   4.384  -4.338
  116    H    HIS  15           H        HIS  15   2.599   7.474  -2.607
  117    HA   HIS  15           HA       HIS  15   2.485   9.980  -4.124
  118   1HB   HIS  15          1HB       HIS  15   0.013   9.243  -2.761
  119   2HB   HIS  15          2HB       HIS  15   0.278   9.770  -4.411
  120    HD1  HIS  15           1HD      HIS  15  -0.473   8.061  -6.055
  121    HD2  HIS  15           2HD      HIS  15   1.043   6.306  -2.559
  122    HE1  HIS  15           1HE      HIS  15  -0.672   5.537  -6.377
  123    HE2  HIS  15           2HE      HIS  15   0.326   4.512  -4.221
  124    H    TRP  16           H        TRP  16   2.239   8.318  -0.956
  125    HA   TRP  16           HA       TRP  16   1.681  10.617   0.554
  126   1HB   TRP  16          1HB       TRP  16   1.299   8.941   1.948
  127   2HB   TRP  16          2HB       TRP  16   2.266   7.824   1.005
  128    HD1  TRP  16           HD       TRP  16   4.346   6.928   2.300
  129    HE1  TRP  16           1HE      TRP  16   5.880   7.643   4.325
  130    HE3  TRP  16           3HE      TRP  16   2.111  11.427   3.085
  131    HZ2  TRP  16           2HZ      TRP  16   5.984   9.958   5.990
  132    HZ3  TRP  16           3HZ      TRP  16   2.990  12.854   4.931
  133    HH2  TRP  16           HH       TRP  16   4.857  12.184   6.358
  134    H    THR  17           H        THR  17   4.772   8.730   0.708
  135    HA   THR  17           HA       THR  17   6.313  11.084   0.048
  136    HB   THR  17           HB       THR  17   5.552  10.939   2.651
  137    HG1  THR  17           1HG      THR  17   7.032  12.567   2.440
  138   1HG2  THR  17          1HG2      THR  17   7.010   9.725   4.020
  139   2HG2  THR  17          2HG2      THR  17   6.940   8.614   2.632
  140   3HG2  THR  17          3HG2      THR  17   8.313   9.734   2.807
  141    H    ALA  18           H        ALA  18   8.733  10.551   0.154
  142    HA   ALA  18           HA       ALA  18   9.684   7.986   0.318
  143   1HB   ALA  18          1HB       ALA  18   7.936   8.183  -1.870
  144   2HB   ALA  18          2HB       ALA  18   9.563   8.296  -2.583
  145   3HB   ALA  18          3HB       ALA  18   9.129   6.896  -1.573
  Start of MODEL    8
    1   1H    ILE   1          H         ILE   1  -6.760 -11.184   5.666
    2    HA   ILE   1           HA       ILE   1  -4.717 -11.209   4.567
    3    HB   ILE   1           HB       ILE   1  -6.037 -13.401   3.020
    4   1HG1  ILE   1          1HG1      ILE   1  -3.205 -13.573   3.806
    5   2HG1  ILE   1          2HG1      ILE   1  -4.301 -13.354   5.156
    6   1HG2  ILE   1          1HG2      ILE   1  -5.198 -11.930   1.283
    7   2HG2  ILE   1          2HG2      ILE   1  -3.614 -11.837   2.090
    8   3HG2  ILE   1          3HG2      ILE   1  -4.175 -13.382   1.407
    9   1HD1  ILE   1          1HD1      ILE   1  -3.753 -15.782   3.986
   10   2HD1  ILE   1          2HD1      ILE   1  -5.235 -15.431   4.907
   11   3HD1  ILE   1          3HD1      ILE   1  -5.244 -15.319   3.131
   12    H    ASN   2           H        ASN   2  -4.077  -9.964   2.598
   13    HA   ASN   2           HA       ASN   2  -6.095  -9.029   0.891
   14   1HB   ASN   2          1HB       ASN   2  -5.288  -7.333   3.274
   15   2HB   ASN   2          2HB       ASN   2  -5.637  -6.528   1.756
   16   1HD2  ASN   2          1HD2      ASN   2  -7.638  -7.854   0.643
   17   2HD2  ASN   2          2HD2      ASN   2  -9.066  -7.860   1.623
   18    H    TYR   3           H        TYR   3  -5.093  -7.864  -0.887
   19    HA   TYR   3           HA       TYR   3  -2.167  -7.656  -0.659
   20   1HB   TYR   3          1HB       TYR   3  -3.221  -9.379  -2.244
   21   2HB   TYR   3          2HB       TYR   3  -4.076  -8.075  -3.044
   22    HD1  TYR   3           1HD      TYR   3  -2.577  -6.159  -4.051
   23    HD2  TYR   3           2HD      TYR   3  -1.140 -10.064  -3.057
   24    HE1  TYR   3           1HE      TYR   3  -0.606  -5.842  -5.625
   25    HE2  TYR   3           2HE      TYR   3   0.827  -9.734  -4.634
   26    HH   TYR   3           HH       TYR   3   1.013  -7.968  -6.933
   27    H    TRP   4           H        TRP   4  -5.208  -6.023  -1.369
   28    HA   TRP   4           HA       TRP   4  -3.842  -3.789  -2.621
   29   1HB   TRP   4          1HB       TRP   4  -6.747  -4.386  -2.056
   30   2HB   TRP   4          2HB       TRP   4  -6.187  -2.865  -2.722
   31    HD1  TRP   4           HD       TRP   4  -7.646  -5.902  -3.972
   32    HE1  TRP   4           1HE      TRP   4  -7.086  -6.468  -6.488
   33    HE3  TRP   4           3HE      TRP   4  -3.699  -2.720  -4.358
   34    HZ2  TRP   4           2HZ      TRP   4  -5.100  -5.543  -8.316
   35    HZ3  TRP   4           3HZ      TRP   4  -2.504  -2.612  -6.544
   36    HH2  TRP   4           HH       TRP   4  -3.147  -3.956  -8.481
   37    H    LEU   5           H        LEU   5  -5.488  -4.777   0.420
   38    HA   LEU   5           HA       LEU   5  -5.011  -2.142   1.548
   39   1HB   LEU   5          1HB       LEU   5  -6.338  -4.557   2.784
   40   2HB   LEU   5          2HB       LEU   5  -6.340  -2.918   3.406
   41    HG   LEU   5           HG       LEU   5  -8.344  -2.761   2.427
   42   1HD1  LEU   5          1HD1      LEU   5  -8.364  -1.816   0.271
   43   2HD1  LEU   5          2HD1      LEU   5  -6.765  -1.419   0.947
   44   3HD1  LEU   5          3HD1      LEU   5  -6.928  -2.736  -0.240
   45   1HD2  LEU   5          1HD2      LEU   5  -8.005  -4.687   0.196
   46   2HD2  LEU   5          2HD2      LEU   5  -7.932  -5.354   1.845
   47   3HD2  LEU   5          3HD2      LEU   5  -9.367  -4.443   1.317
   48    H    ALA   6           H        ALA   6  -2.775  -3.958   0.723
   49    HA   ALA   6           HA       ALA   6  -1.428  -3.932   3.306
   50   1HB   ALA   6          1HB       ALA   6  -2.386  -6.244   2.865
   51   2HB   ALA   6          2HB       ALA   6  -1.315  -6.334   1.446
   52   3HB   ALA   6          3HB       ALA   6  -0.620  -6.183   3.078
   53    H    HIS   7           H        HIS   7  -1.253  -4.467  -0.270
   54    HA   HIS   7           HA       HIS   7   1.482  -3.505  -0.222
   55   1HB   HIS   7          1HB       HIS   7  -0.196  -4.573  -2.509
   56   2HB   HIS   7          2HB       HIS   7   1.507  -4.171  -2.591
   57    HD1  HIS   7           1HD      HIS   7   1.368  -6.880  -3.367
   58    HD2  HIS   7           2HD      HIS   7   1.025  -5.940   0.707
   59    HE1  HIS   7           1HE      HIS   7   1.893  -9.026  -2.092
   60    HE2  HIS   7           2HE      HIS   7   1.720  -8.373   0.406
   61    H    ALA   8           H        ALA   8  -1.816  -2.585  -1.248
   62    HA   ALA   8           HA       ALA   8  -0.876  -0.237  -2.614
   63   1HB   ALA   8          1HB       ALA   8  -3.178  -1.842  -2.642
   64   2HB   ALA   8          2HB       ALA   8  -3.714  -0.301  -1.930
   65   3HB   ALA   8          3HB       ALA   8  -2.932  -0.319  -3.529
   66    H    LYS   9           H        LYS   9  -1.200  -1.169   0.627
   67    HA   LYS   9           HA       LYS   9  -1.920   1.534   1.478
   68   1HB   LYS   9          1HB       LYS   9  -2.473   0.615   3.579
   69   2HB   LYS   9          2HB       LYS   9  -3.134  -0.489   2.390
   70   1HG   LYS   9          1HG       LYS   9  -2.072  -1.944   3.920
   71   2HG   LYS   9          2HG       LYS   9  -0.891  -1.806   2.631
   72   1HD   LYS   9          1HD       LYS   9   0.626  -1.074   4.146
   73   2HD   LYS   9          2HD       LYS   9  -0.340   0.370   4.377
   74   1HE   LYS   9          1HE       LYS   9  -1.156  -0.347   6.394
   75   2HE   LYS   9          2HE       LYS   9  -1.438  -1.975   5.811
   76   1HZ   LYS   9          1HZ       LYS   9   1.164  -2.001   5.874
   77   2HZ   LYS   9          2HZ       LYS   9   0.937  -0.861   7.022
   78   3HZ   LYS   9          3HZ       LYS   9   0.275  -2.343   7.201
   79    H    ALA  10           H        ALA  10   0.607  -1.028   1.829
   80    HA   ALA  10           HA       ALA  10   2.318   0.758   3.284
   81   1HB   ALA  10          1HB       ALA  10   3.489  -1.674   2.089
   82   2HB   ALA  10          2HB       ALA  10   3.432  -1.149   3.789
   83   3HB   ALA  10          3HB       ALA  10   2.034  -1.981   3.068
   84    H    GLY  11           H        GLY  11   1.902  -0.421  -0.076
   85   1HA   GLY  11          1HA       GLY  11   4.331   0.879  -0.975
   86   2HA   GLY  11          2HA       GLY  11   3.171  -0.015  -1.936
   87    H    TYR  12           H        TYR  12   1.721   2.296   0.225
   88    HA   TYR  12           HA       TYR  12   0.982   3.925  -2.057
   89   1HB   TYR  12          1HB       TYR  12  -0.793   4.552  -0.579
   90   2HB   TYR  12          2HB       TYR  12  -0.421   2.944   0.012
   91    HD1  TYR  12           1HD      TYR  12   2.245   3.764   1.393
   92    HD2  TYR  12           2HD      TYR  12  -1.709   5.398   1.474
   93    HE1  TYR  12           1HE      TYR  12   2.680   4.720   3.709
   94    HE2  TYR  12           2HE      TYR  12  -1.260   6.348   3.790
   95    HH   TYR  12           HH       TYR  12   1.350   6.996   4.995
   96    H    ILE  13           H        ILE  13   3.803   3.941  -0.893
   97    HA   ILE  13           HA       ILE  13   3.907   6.598   0.273
   98    HB   ILE  13           HB       ILE  13   6.034   6.087   0.970
   99   1HG1  ILE  13          1HG1      ILE  13   7.095   5.588  -1.113
  100   2HG1  ILE  13          2HG1      ILE  13   7.441   4.277  -0.002
  101   1HG2  ILE  13          1HG2      ILE  13   5.780   4.205   2.239
  102   2HG2  ILE  13          2HG2      ILE  13   4.098   4.443   1.709
  103   3HG2  ILE  13          3HG2      ILE  13   5.127   3.242   0.892
  104   1HD1  ILE  13          1HD1      ILE  13   5.615   2.918  -1.017
  105   2HD1  ILE  13          2HD1      ILE  13   5.264   4.249  -2.145
  106   3HD1  ILE  13          3HD1      ILE  13   6.825   3.397  -2.231
  107    H    VAL  14           H        VAL  14   3.302   5.607  -2.718
  108    HA   VAL  14           HA       VAL  14   5.407   6.928  -4.149
  109    HB   VAL  14           HB       VAL  14   2.740   5.756  -4.952
  110   1HG1  VAL  14          1HG1      VAL  14   3.416   7.594  -6.477
  111   2HG1  VAL  14          2HG1      VAL  14   4.960   6.757  -6.767
  112   3HG1  VAL  14          3HG1      VAL  14   3.429   6.000  -7.269
  113   1HG2  VAL  14          1HG2      VAL  14   4.660   4.255  -6.169
  114   2HG2  VAL  14          2HG2      VAL  14   5.492   4.707  -4.662
  115   3HG2  VAL  14          3HG2      VAL  14   3.926   3.864  -4.595
  116    H    HIS  15           H        HIS  15   2.278   7.735  -2.716
  117    HA   HIS  15           HA       HIS  15   2.499  10.378  -3.964
  118   1HB   HIS  15          1HB       HIS  15  -0.094  10.051  -2.897
  119   2HB   HIS  15          2HB       HIS  15   0.381  10.171  -4.579
  120    HD1  HIS  15           1HD      HIS  15  -0.582   8.303  -5.909
  121    HD2  HIS  15           2HD      HIS  15   0.456   7.086  -2.031
  122    HE1  HIS  15           1HE      HIS  15  -1.170   5.825  -5.756
  123    HE2  HIS  15           2HE      HIS  15  -0.459   5.121  -3.370
  124    H    TRP  16           H        TRP  16   2.655   8.492  -1.062
  125    HA   TRP  16           HA       TRP  16   1.933  10.642   0.700
  126   1HB   TRP  16          1HB       TRP  16   1.498   8.834   1.907
  127   2HB   TRP  16          2HB       TRP  16   2.478   7.800   0.885
  128    HD1  TRP  16           HD       TRP  16   4.484   6.749   2.174
  129    HE1  TRP  16           1HE      TRP  16   6.001   7.286   4.265
  130    HE3  TRP  16           3HE      TRP  16   2.362  11.251   3.216
  131    HZ2  TRP  16           2HZ      TRP  16   6.141   9.484   6.080
  132    HZ3  TRP  16           3HZ      TRP  16   3.248  12.529   5.165
  133    HH2  TRP  16           HH       TRP  16   5.071  11.714   6.574
  134    H    THR  17           H        THR  17   4.963   8.662   0.705
  135    HA   THR  17           HA       THR  17   6.584  10.993   0.189
  136    HB   THR  17           HB       THR  17   5.790  10.751   2.775
  137    HG1  THR  17           1HG      THR  17   8.546  11.166   1.855
  138   1HG2  THR  17          1HG2      THR  17   8.511   9.456   2.904
  139   2HG2  THR  17          2HG2      THR  17   7.192   9.427   4.099
  140   3HG2  THR  17          3HG2      THR  17   7.109   8.387   2.657
  141    H    ALA  18           H        ALA  18   8.872  10.459  -0.068
  142    HA   ALA  18           HA       ALA  18   9.925   7.937   0.160
  143   1HB   ALA  18          1HB       ALA  18   8.851   6.734  -1.413
  144   2HB   ALA  18          2HB       ALA  18   8.044   8.181  -2.066
  145   3HB   ALA  18          3HB       ALA  18   9.677   7.745  -2.623
  Start of MODEL    9
    1   1H    ILE   1          H         ILE   1  -4.392 -11.599   5.571
    2    HA   ILE   1           HA       ILE   1  -6.036 -10.107   5.032
    3    HB   ILE   1           HB       ILE   1  -3.388  -8.815   4.390
    4   1HG1  ILE   1          1HG1      ILE   1  -3.640  -9.790   6.653
    5   2HG1  ILE   1          2HG1      ILE   1  -3.430  -8.050   6.668
    6   1HG2  ILE   1          1HG2      ILE   1  -4.369  -6.881   3.908
    7   2HG2  ILE   1          2HG2      ILE   1  -5.910  -7.764   3.797
    8   3HG2  ILE   1          3HG2      ILE   1  -5.435  -6.992   5.328
    9   1HD1  ILE   1          1HD1      ILE   1  -5.420  -7.754   7.708
   10   2HD1  ILE   1          2HD1      ILE   1  -6.266  -8.702   6.461
   11   3HD1  ILE   1          3HD1      ILE   1  -5.535  -9.524   7.860
   12    H    ASN   2           H        ASN   2  -4.165  -8.530   2.545
   13    HA   ASN   2           HA       ASN   2  -5.364  -9.959   0.411
   14   1HB   ASN   2          1HB       ASN   2  -7.184  -8.321   1.361
   15   2HB   ASN   2          2HB       ASN   2  -6.195  -7.037   0.695
   16   1HD2  ASN   2          1HD2      ASN   2  -7.620  -6.385  -0.835
   17   2HD2  ASN   2          2HD2      ASN   2  -8.057  -7.310  -2.233
   18    H    TYR   3           H        TYR   3  -4.407  -9.248  -1.660
   19    HA   TYR   3           HA       TYR   3  -1.829  -8.188  -1.424
   20   1HB   TYR   3          1HB       TYR   3  -3.008  -9.720  -3.208
   21   2HB   TYR   3          2HB       TYR   3  -3.707  -8.251  -3.860
   22    HD1  TYR   3           1HD      TYR   3  -2.138  -6.439  -4.745
   23    HD2  TYR   3           2HD      TYR   3  -0.811 -10.394  -3.793
   24    HE1  TYR   3           1HE      TYR   3  -0.061  -6.092  -6.169
   25    HE2  TYR   3           2HE      TYR   3   1.262 -10.033  -5.220
   26    HH   TYR   3           HH       TYR   3   2.552  -7.578  -5.932
   27    H    TRP   4           H        TRP   4  -4.959  -6.653  -1.642
   28    HA   TRP   4           HA       TRP   4  -3.873  -4.209  -2.750
   29   1HB   TRP   4          1HB       TRP   4  -6.624  -5.055  -1.846
   30   2HB   TRP   4          2HB       TRP   4  -6.246  -3.412  -2.323
   31    HD1  TRP   4           HD       TRP   4  -7.797  -6.250  -3.842
   32    HE1  TRP   4           1HE      TRP   4  -7.598  -6.387  -6.469
   33    HE3  TRP   4           3HE      TRP   4  -3.985  -2.909  -4.254
   34    HZ2  TRP   4           2HZ      TRP   4  -5.907  -5.113  -8.383
   35    HZ3  TRP   4           3HZ      TRP   4  -3.119  -2.412  -6.538
   36    HH2  TRP   4           HH       TRP   4  -4.017  -3.452  -8.559
   37    H    LEU   5           H        LEU   5  -4.936  -5.663   0.358
   38    HA   LEU   5           HA       LEU   5  -4.387  -3.159   1.730
   39   1HB   LEU   5          1HB       LEU   5  -5.513  -5.794   2.685
   40   2HB   LEU   5          2HB       LEU   5  -5.259  -4.391   3.703
   41    HG   LEU   5           HG       LEU   5  -7.347  -3.797   3.231
   42   1HD1  LEU   5          1HD1      LEU   5  -7.802  -2.632   1.156
   43   2HD1  LEU   5          2HD1      LEU   5  -6.153  -2.260   1.715
   44   3HD1  LEU   5          3HD1      LEU   5  -6.402  -3.409   0.378
   45   1HD2  LEU   5          1HD2      LEU   5  -7.354  -6.285   2.135
   46   2HD2  LEU   5          2HD2      LEU   5  -8.776  -5.220   2.242
   47   3HD2  LEU   5          3HD2      LEU   5  -7.831  -5.294   0.735
   48    H    ALA   6           H        ALA   6  -2.247  -4.705   0.327
   49    HA   ALA   6           HA       ALA   6  -0.520  -4.999   2.666
   50   1HB   ALA   6          1HB       ALA   6  -0.673  -6.993   0.369
   51   2HB   ALA   6          2HB       ALA   6   0.431  -7.065   1.763
   52   3HB   ALA   6          3HB       ALA   6  -1.321  -7.265   2.004
   53    H    HIS   7           H        HIS   7  -0.847  -4.817  -0.935
   54    HA   HIS   7           HA       HIS   7   1.804  -3.652  -1.060
   55   1HB   HIS   7          1HB       HIS   7  -0.151  -4.487  -3.219
   56   2HB   HIS   7          2HB       HIS   7   1.424  -3.785  -3.530
   57    HD1  HIS   7           1HD      HIS   7   1.747  -6.184  -4.818
   58    HD2  HIS   7           2HD      HIS   7   1.651  -6.274  -0.625
   59    HE1  HIS   7           1HE      HIS   7   2.751  -8.425  -4.128
   60    HE2  HIS   7           2HE      HIS   7   2.716  -8.400  -1.541
   61    H    ALA   8           H        ALA   8  -1.661  -2.851  -1.591
   62    HA   ALA   8           HA       ALA   8  -1.118  -0.240  -2.564
   63   1HB   ALA   8          1HB       ALA   8  -3.355  -0.222  -2.940
   64   2HB   ALA   8          2HB       ALA   8  -3.277  -1.950  -2.519
   65   3HB   ALA   8          3HB       ALA   8  -3.733  -0.753  -1.283
   66    H    LYS   9           H        LYS   9  -0.709  -1.687   0.475
   67    HA   LYS   9           HA       LYS   9  -1.329   0.791   1.896
   68   1HB   LYS   9          1HB       LYS   9  -1.827  -1.861   2.520
   69   2HB   LYS   9          2HB       LYS   9  -0.404  -1.501   3.477
   70   1HG   LYS   9          1HG       LYS   9  -1.601   0.632   4.265
   71   2HG   LYS   9          2HG       LYS   9  -3.045   0.026   3.479
   72   1HD   LYS   9          1HD       LYS   9  -1.981  -2.124   5.067
   73   2HD   LYS   9          2HD       LYS   9  -1.970  -0.687   6.071
   74   1HE   LYS   9          1HE       LYS   9  -4.447  -1.211   4.436
   75   2HE   LYS   9          2HE       LYS   9  -4.163  -2.248   5.820
   76   1HZ   LYS   9          1HZ       LYS   9  -5.349   0.070   6.013
   77   2HZ   LYS   9          2HZ       LYS   9  -4.458  -0.548   7.235
   78   3HZ   LYS   9          3HZ       LYS   9  -3.817   0.584   6.248
   79    H    ALA  10           H        ALA  10   1.317  -1.619   1.346
   80    HA   ALA  10           HA       ALA  10   3.227   0.048   2.672
   81   1HB   ALA  10          1HB       ALA  10   4.539  -1.879   1.077
   82   2HB   ALA  10          2HB       ALA  10   4.162  -1.992   2.813
   83   3HB   ALA  10          3HB       ALA  10   3.026  -2.650   1.611
   84    H    GLY  11           H        GLY  11   2.146  -0.603  -0.684
   85   1HA   GLY  11          1HA       GLY  11   4.269   1.010  -1.821
   86   2HA   GLY  11          2HA       GLY  11   2.969   0.193  -2.666
   87    H    TYR  12           H        TYR  12   1.905   1.999   0.109
   88    HA   TYR  12           HA       TYR  12   0.615   3.902  -1.651
   89   1HB   TYR  12          1HB       TYR  12  -0.793   4.172   0.271
   90   2HB   TYR  12          2HB       TYR  12  -0.251   2.518   0.472
   91    HD1  TYR  12           1HD      TYR  12  -1.253   4.540   2.613
   92    HD2  TYR  12           2HD      TYR  12   2.648   3.336   1.336
   93    HE1  TYR  12           1HE      TYR  12  -0.316   5.121   4.904
   94    HE2  TYR  12           2HE      TYR  12   3.572   3.921   3.631
   95    HH   TYR  12           HH       TYR  12   1.768   4.247   6.269
   96    H    ILE  13           H        ILE  13   3.662   3.868  -0.901
   97    HA   ILE  13           HA       ILE  13   3.877   6.374   0.526
   98    HB   ILE  13           HB       ILE  13   6.154   5.936   0.669
   99   1HG1  ILE  13          1HG1      ILE  13   6.476   5.525  -1.780
  100   2HG1  ILE  13          2HG1      ILE  13   7.439   4.505  -0.731
  101   1HG2  ILE  13          1HG2      ILE  13   4.565   3.373   0.774
  102   2HG2  ILE  13          2HG2      ILE  13   6.275   3.453   1.261
  103   3HG2  ILE  13          3HG2      ILE  13   5.061   4.440   2.110
  104   1HD1  ILE  13          1HD1      ILE  13   5.467   2.788  -0.933
  105   2HD1  ILE  13          2HD1      ILE  13   4.976   3.766  -2.337
  106   3HD1  ILE  13          3HD1      ILE  13   6.572   2.980  -2.315
  107    H    VAL  14           H        VAL  14   3.602   5.195  -2.742
  108    HA   VAL  14           HA       VAL  14   5.072   7.104  -4.110
  109    HB   VAL  14           HB       VAL  14   2.526   5.635  -4.818
  110   1HG1  VAL  14          1HG1      VAL  14   3.806   6.169  -7.198
  111   2HG1  VAL  14          2HG1      VAL  14   2.401   7.055  -6.557
  112   3HG1  VAL  14          3HG1      VAL  14   4.047   7.680  -6.288
  113   1HG2  VAL  14          1HG2      VAL  14   4.249   4.311  -6.226
  114   2HG2  VAL  14          2HG2      VAL  14   5.466   5.041  -5.151
  115   3HG2  VAL  14          3HG2      VAL  14   4.180   4.015  -4.472
  116    H    HIS  15           H        HIS  15   2.244   7.431  -2.129
  117    HA   HIS  15           HA       HIS  15   1.814  10.094  -3.278
  118   1HB   HIS  15          1HB       HIS  15  -0.392   9.062  -1.672
  119   2HB   HIS  15          2HB       HIS  15  -0.402   9.799  -3.262
  120    HD1  HIS  15           1HD      HIS  15  -1.326   8.264  -4.986
  121    HD2  HIS  15           2HD      HIS  15   0.758   6.183  -1.999
  122    HE1  HIS  15           1HE      HIS  15  -1.482   5.792  -5.597
  123    HE2  HIS  15           2HE      HIS  15  -0.137   4.568  -3.756
  124    H    TRP  16           H        TRP  16   2.110   8.052  -0.344
  125    HA   TRP  16           HA       TRP  16   1.707  10.119   1.511
  126   1HB   TRP  16          1HB       TRP  16   1.604   8.273   2.724
  127   2HB   TRP  16          2HB       TRP  16   2.448   7.328   1.513
  128    HD1  TRP  16           HD       TRP  16   4.739   6.399   2.348
  129    HE1  TRP  16           1HE      TRP  16   6.541   6.939   4.199
  130    HE3  TRP  16           3HE      TRP  16   2.490  10.631   4.047
  131    HZ2  TRP  16           2HZ      TRP  16   6.817   9.029   6.123
  132    HZ3  TRP  16           3HZ      TRP  16   3.591  11.862   5.915
  133    HH2  TRP  16           HH       TRP  16   5.681  11.125   6.946
  134    H    THR  17           H        THR  17   4.850   8.398   0.965
  135    HA   THR  17           HA       THR  17   6.188  10.894   0.395
  136    HB   THR  17           HB       THR  17   5.839  10.388   3.041
  137    HG1  THR  17           1HG      THR  17   7.967  11.572   3.144
  138   1HG2  THR  17          1HG2      THR  17   8.636   9.334   2.628
  139   2HG2  THR  17          2HG2      THR  17   7.540   9.104   4.011
  140   3HG2  THR  17          3HG2      THR  17   7.297   8.167   2.517
  141    H    ALA  18           H        ALA  18   8.619  10.480   0.086
  142    HA   ALA  18           HA       ALA  18   9.645   7.950  -0.241
  143   1HB   ALA  18          1HB       ALA  18   8.017   7.393  -1.880
  144   2HB   ALA  18          2HB       ALA  18   8.136   8.989  -2.659
  145   3HB   ALA  18          3HB       ALA  18   9.474   7.825  -2.806
  Start of MODEL   10
    1   1H    ILE   1          H         ILE   1  -2.925 -11.927   2.331
    2    HA   ILE   1           HA       ILE   1  -5.358 -12.012   3.977
    3    HB   ILE   1           HB       ILE   1  -2.990 -10.145   4.056
    4   1HG1  ILE   1          1HG1      ILE   1  -4.029 -11.506   6.480
    5   2HG1  ILE   1          2HG1      ILE   1  -3.283 -12.547   5.284
    6   1HG2  ILE   1          1HG2      ILE   1  -5.774  -9.817   5.105
    7   2HG2  ILE   1          2HG2      ILE   1  -4.405  -9.215   6.072
    8   3HG2  ILE   1          3HG2      ILE   1  -4.658  -8.614   4.415
    9   1HD1  ILE   1          1HD1      ILE   1  -2.056 -10.410   6.974
   10   2HD1  ILE   1          2HD1      ILE   1  -1.358 -11.939   6.389
   11   3HD1  ILE   1          3HD1      ILE   1  -1.450 -10.529   5.305
   12    H    ASN   2           H        ASN   2  -3.484 -10.063   1.558
   13    HA   ASN   2           HA       ASN   2  -5.559  -9.790  -0.171
   14   1HB   ASN   2          1HB       ASN   2  -6.237  -8.307   2.050
   15   2HB   ASN   2          2HB       ASN   2  -5.351  -7.098   1.143
   16   1HD2  ASN   2          1HD2      ASN   2  -8.314  -8.250   1.730
   17   2HD2  ASN   2          2HD2      ASN   2  -9.148  -7.873   0.259
   18    H    TYR   3           H        TYR   3  -4.923  -8.315  -1.979
   19    HA   TYR   3           HA       TYR   3  -2.077  -7.656  -1.841
   20   1HB   TYR   3          1HB       TYR   3  -3.367  -9.144  -3.624
   21   2HB   TYR   3          2HB       TYR   3  -4.033  -7.633  -4.210
   22    HD1  TYR   3           1HD      TYR   3  -1.174  -9.844  -4.233
   23    HD2  TYR   3           2HD      TYR   3  -2.458  -5.859  -5.113
   24    HE1  TYR   3           1HE      TYR   3   0.879  -9.497  -5.692
   25    HE2  TYR   3           2HE      TYR   3  -0.401  -5.525  -6.569
   26    HH   TYR   3           HH       TYR   3   1.229  -6.620  -7.656
   27    H    TRP   4           H        TRP   4  -5.156  -6.183  -1.547
   28    HA   TRP   4           HA       TRP   4  -4.213  -3.661  -2.681
   29   1HB   TRP   4          1HB       TRP   4  -6.925  -4.612  -1.755
   30   2HB   TRP   4          2HB       TRP   4  -6.586  -2.949  -2.191
   31    HD1  TRP   4           HD       TRP   4  -8.094  -5.802  -3.755
   32    HE1  TRP   4           1HE      TRP   4  -7.970  -5.845  -6.390
   33    HE3  TRP   4           3HE      TRP   4  -4.427  -2.302  -4.163
   34    HZ2  TRP   4           2HZ      TRP   4  -6.388  -4.442  -8.307
   35    HZ3  TRP   4           3HZ      TRP   4  -3.650  -1.696  -6.453
   36    HH2  TRP   4           HH       TRP   4  -4.569  -2.704  -8.481
   37    H    LEU   5           H        LEU   5  -5.198  -5.323   0.351
   38    HA   LEU   5           HA       LEU   5  -4.679  -2.899   1.866
   39   1HB   LEU   5          1HB       LEU   5  -5.590  -5.610   2.830
   40   2HB   LEU   5          2HB       LEU   5  -5.585  -4.112   3.739
   41    HG   LEU   5           HG       LEU   5  -7.745  -3.997   3.169
   42   1HD1  LEU   5          1HD1      LEU   5  -6.866  -3.354   0.354
   43   2HD1  LEU   5          2HD1      LEU   5  -8.231  -2.684   1.280
   44   3HD1  LEU   5          3HD1      LEU   5  -6.561  -2.260   1.725
   45   1HD2  LEU   5          1HD2      LEU   5  -7.346  -6.391   2.116
   46   2HD2  LEU   5          2HD2      LEU   5  -8.860  -5.493   1.851
   47   3HD2  LEU   5          3HD2      LEU   5  -7.599  -5.504   0.594
   48    H    ALA   6           H        ALA   6  -2.537  -4.336   0.325
   49    HA   ALA   6           HA       ALA   6  -0.733  -4.653   2.596
   50   1HB   ALA   6          1HB       ALA   6  -0.900  -6.630   0.286
   51   2HB   ALA   6          2HB       ALA   6   0.202  -6.706   1.682
   52   3HB   ALA   6          3HB       ALA   6  -1.549  -6.924   1.917
   53    H    HIS   7           H        HIS   7  -1.178  -4.471  -0.994
   54    HA   HIS   7           HA       HIS   7   1.446  -3.259  -1.202
   55   1HB   HIS   7          1HB       HIS   7  -0.567  -4.103  -3.303
   56   2HB   HIS   7          2HB       HIS   7   0.996  -3.393  -3.654
   57    HD1  HIS   7           1HD      HIS   7   1.327  -5.767  -4.963
   58    HD2  HIS   7           2HD      HIS   7   1.279  -5.912  -0.771
   59    HE1  HIS   7           1HE      HIS   7   2.350  -8.012  -4.313
   60    HE2  HIS   7           2HE      HIS   7   2.344  -8.020  -1.726
   61    H    ALA   8           H        ALA   8  -2.044  -2.503  -1.544
   62    HA   ALA   8           HA       ALA   8  -1.535   0.143  -2.503
   63   1HB   ALA   8          1HB       ALA   8  -3.728   0.037  -3.008
   64   2HB   ALA   8          2HB       ALA   8  -3.694  -1.644  -2.424
   65   3HB   ALA   8          3HB       ALA   8  -4.167  -0.328  -1.322
   66    H    LYS   9           H        LYS   9  -1.211  -1.413   0.510
   67    HA   LYS   9           HA       LYS   9  -1.845   1.035   1.978
   68   1HB   LYS   9          1HB       LYS   9  -2.560  -1.513   2.529
   69   2HB   LYS   9          2HB       LYS   9  -1.044  -1.447   3.406
   70   1HG   LYS   9          1HG       LYS   9  -2.001   0.893   4.273
   71   2HG   LYS   9          2HG       LYS   9  -3.545   0.203   3.816
   72   1HD   LYS   9          1HD       LYS   9  -3.556  -1.238   5.587
   73   2HD   LYS   9          2HD       LYS   9  -1.892  -1.719   5.318
   74   1HE   LYS   9          1HE       LYS   9  -1.599  -0.617   7.334
   75   2HE   LYS   9          2HE       LYS   9  -1.395   0.756   6.265
   76   1HZ   LYS   9          1HZ       LYS   9  -2.968   1.435   7.778
   77   2HZ   LYS   9          2HZ       LYS   9  -3.896   0.994   6.508
   78   3HZ   LYS   9          3HZ       LYS   9  -3.761   0.007   7.803
   79    H    ALA  10           H        ALA  10   0.768  -1.428   1.492
   80    HA   ALA  10           HA       ALA  10   2.655   0.231   2.886
   81   1HB   ALA  10          1HB       ALA  10   4.029  -1.622   2.787
   82   2HB   ALA  10          2HB       ALA  10   2.449  -2.418   2.597
   83   3HB   ALA  10          3HB       ALA  10   3.460  -2.094   1.168
   84    H    GLY  11           H        GLY  11   1.672  -0.494  -0.475
   85   1HA   GLY  11          1HA       GLY  11   3.918   0.942  -1.606
   86   2HA   GLY  11          2HA       GLY  11   2.580   0.195  -2.456
   87    H    TYR  12           H        TYR  12   1.531   2.122   0.222
   88    HA   TYR  12           HA       TYR  12   0.494   4.097  -1.632
   89   1HB   TYR  12          1HB       TYR  12  -1.053   4.436   0.157
   90   2HB   TYR  12          2HB       TYR  12  -0.597   2.768   0.443
   91    HD1  TYR  12           1HD      TYR  12  -1.651   4.992   2.407
   92    HD2  TYR  12           2HD      TYR  12   2.225   3.395   1.554
   93    HE1  TYR  12           1HE      TYR  12  -0.877   5.601   4.750
   94    HE2  TYR  12           2HE      TYR  12   2.986   4.009   3.900
   95    HH   TYR  12           HH       TYR  12   0.758   4.983   6.320
   96    H    ILE  13           H        ILE  13   3.449   3.957  -0.917
   97    HA   ILE  13           HA       ILE  13   3.695   6.491   0.525
   98    HB   ILE  13           HB       ILE  13   5.960   5.897   0.927
   99   1HG1  ILE  13          1HG1      ILE  13   5.943   4.620  -1.473
  100   2HG1  ILE  13          2HG1      ILE  13   7.209   4.469  -0.271
  101   1HG2  ILE  13          1HG2      ILE  13   4.214   4.887   2.369
  102   2HG2  ILE  13          2HG2      ILE  13   4.262   3.425   1.355
  103   3HG2  ILE  13          3HG2      ILE  13   5.702   3.916   2.278
  104   1HD1  ILE  13          1HD1      ILE  13   6.469   2.238  -1.014
  105   2HD1  ILE  13          2HD1      ILE  13   6.051   2.476   0.700
  106   3HD1  ILE  13          3HD1      ILE  13   4.793   2.622  -0.552
  107    H    VAL  14           H        VAL  14   4.115   4.884  -2.608
  108    HA   VAL  14           HA       VAL  14   5.839   6.578  -3.871
  109    HB   VAL  14           HB       VAL  14   4.261   6.043  -5.893
  110   1HG1  VAL  14          1HG1      VAL  14   5.559   4.199  -6.293
  111   2HG1  VAL  14          2HG1      VAL  14   6.484   4.914  -4.950
  112   3HG1  VAL  14          3HG1      VAL  14   5.367   3.563  -4.641
  113   1HG2  VAL  14          1HG2      VAL  14   2.612   5.181  -3.815
  114   2HG2  VAL  14          2HG2      VAL  14   2.423   4.815  -5.547
  115   3HG2  VAL  14          3HG2      VAL  14   3.292   3.679  -4.487
  116    H    HIS  15           H        HIS  15   2.503   7.149  -2.807
  117    HA   HIS  15           HA       HIS  15   2.501   9.684  -4.242
  118   1HB   HIS  15          1HB       HIS  15   0.112   9.086  -2.690
  119   2HB   HIS  15          2HB       HIS  15   0.283   9.474  -4.390
  120    HD1  HIS  15           1HD      HIS  15  -0.264   7.620  -5.978
  121    HD2  HIS  15           2HD      HIS  15   0.785   6.190  -2.176
  122    HE1  HIS  15           1HE      HIS  15  -0.606   5.092  -6.045
  123    HE2  HIS  15           2HE      HIS  15   0.106   4.263  -3.699
  124    H    TRP  16           H        TRP  16   2.445   8.214  -0.972
  125    HA   TRP  16           HA       TRP  16   2.077  10.675   0.384
  126   1HB   TRP  16          1HB       TRP  16   1.558   9.155   1.905
  127   2HB   TRP  16          2HB       TRP  16   2.379   7.876   1.032
  128    HD1  TRP  16           HD       TRP  16   4.371   6.854   2.369
  129    HE1  TRP  16           1HE      TRP  16   6.027   7.549   4.302
  130    HE3  TRP  16           3HE      TRP  16   2.674  11.626   2.818
  131    HZ2  TRP  16           2HZ      TRP  16   6.433   9.964   5.769
  132    HZ3  TRP  16           3HZ      TRP  16   3.755  13.087   4.525
  133    HH2  TRP  16           HH       TRP  16   5.573  12.326   5.971
  134    H    THR  17           H        THR  17   4.956   8.487   0.627
  135    HA   THR  17           HA       THR  17   6.738  10.533  -0.306
  136    HB   THR  17           HB       THR  17   5.952  10.829   2.315
  137    HG1  THR  17           1HG      THR  17   8.251  11.804   2.370
  138   1HG2  THR  17          1HG2      THR  17   7.500   9.860   3.812
  139   2HG2  THR  17          2HG2      THR  17   7.230   8.511   2.683
  140   3HG2  THR  17          3HG2      THR  17   8.682   9.528   2.524
  141    H    ALA  18           H        ALA  18   9.138   9.636   0.632
  142    HA   ALA  18           HA       ALA  18   9.471   6.907   0.830
  143   1HB   ALA  18          1HB       ALA  18  10.391   6.807  -1.726
  144   2HB   ALA  18          2HB       ALA  18   8.762   6.275  -1.247
  145   3HB   ALA  18          3HB       ALA  18   9.001   7.897  -1.939