*HEADER    LIGASE                                  06-MAR-07   2JOC              
*TITLE     MOUSE ITCH 3RD DOMAIN PHOSPHORYLATED IN T30                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ITCHY E3 UBIQUITIN PROTEIN LIGASE;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: WW 3 DOMAIN, SEQUENCE DATABASE RESIDUES 399-432;           
*COMPND   5 EC: 6.3.2.-;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN MUS MUSCULUS           
*SOURCE   5 (MOUSE).                                                             
*KEYWDS    ITCH, WW, PHOSPHOTHREONINE                                            
*EXPDTA    NMR, 7 STRUCTURES                                                     
*AUTHOR    M.J.MACIAS, A.Z.SHAW, P.MARTIN-MALPARTIDA, B.MORALES,                 
*AUTHOR   2 L.RUIZ, X.RAMIREZ-ESPAIN, F.YRAOLA, M.ROYO                           
*REVDAT   1   17-APR-07 2JOC    0                                                


# Number of dimensions 2
#INAME 1 H
#INAME 2 H
   1   8.353   8.358 2 U          6.196e+04  0.00e+00 m   0    9    9 0
   3   8.124   8.124 2 U          8.569e+05  0.00e+00 m   0   19   19 0
  10   4.221   4.221 2 U          9.085e+04  0.00e+00 m   0   21   21 0
  15   1.741   8.124 2 U          5.380e+03  0.00e+00 m   0   23   19 0
  17   1.741   1.741 2 U          3.300e+06  0.00e+00 m   0   23   23 0
  18   1.741   1.652 2 U          2.579e+05  0.00e+00 m   0   23   24 0
  20   1.741   2.209 2 U          1.451e+04  0.00e+00 m   0   23   28 0
  21   1.652   8.124 2 U          1.526e+04  0.00e+00 m   0   24   19 0
  23   1.652   1.741 2 U          3.193e+05  0.00e+00 m   0   24   23 0
  24   1.652   1.652 2 U          2.029e+06  0.00e+00 m   0   24   24 0
  26   1.652   2.209 2 U          7.382e+03  0.00e+00 m   0   24   28 0
  27   2.302   8.124 2 U          3.393e+03  0.00e+00 m   0   27   19 0
  29   2.302   1.741 2 U          1.746e+04  0.00e+00 m   0   27   23 0
  30   2.302   1.652 2 U          1.408e+04  0.00e+00 m   0   27   24 0
  31   2.302   2.293 2 U          4.801e+05  0.00e+00 m   0   27   27 0
  32   2.302   2.209 2 U          5.332e+04  0.00e+00 m   0   27   28 0
  33   2.218   8.124 2 U          3.177e+03  0.00e+00 m   0   28   19 0
  35   2.218   1.741 2 U          1.432e+04  0.00e+00 m   0   28   23 0
  36   2.218   1.652 2 U          9.609e+03  0.00e+00 m   0   28   24 0
  37   2.218   2.293 2 U          1.366e+05  0.00e+00 m   0   28   27 0
  38   2.218   2.209 2 U          4.638e+05  0.00e+00 m   0   28   28 0
  39   8.236   8.236 2 U          4.821e+05  0.00e+00 m   0   37   37 0
  41   3.841   8.236 2 U          9.951e+03  0.00e+00 m   0   39   37 0
  42   3.841   3.832 2 U          2.399e+05  0.00e+00 m   0   39   39 0
  43   8.519   8.519 2 U          2.044e+05  0.00e+00 m   0   60   60 0
  49   3.899   8.519 2 U          7.077e+03  0.00e+00 m   0   62   60 0
  50   3.899   3.899 2 U          6.116e+05  0.00e+00 m   0   62   62 0
  52   3.899   1.169 2 U          1.729e+04  0.00e+00 m   0   62   65 0
  53   3.899   0.769 2 U          3.477e+04  0.00e+00 m   0   62   68 0
  54   3.899   0.499 2 U          2.435e+04  0.00e+00 m   0   62   73 0
  55   1.530   8.519 2 U          1.875e+04  0.00e+00 m   0   64   60 0
  57   1.530   1.521 2 U          8.408e+05  0.00e+00 m   0   64   64 0
  58   1.530   1.169 2 U          5.203e+04  0.00e+00 m   0   64   65 0
  59   1.530   0.769 2 U          3.062e+04  0.00e+00 m   0   64   68 0
  60   1.530   0.499 2 U          3.974e+04  0.00e+00 m   0   64   73 0
  61   1.169   8.519 2 U          5.041e+03  0.00e+00 m   0   65   60 0
  63   1.169   1.521 2 U          6.929e+04  0.00e+00 m   0   65   64 0
  64   1.169   1.169 2 U          6.779e+05  0.00e+00 m   0   65   65 0
  65   1.169   0.769 2 U          2.102e+04  0.00e+00 m   0   65   68 0
  66   1.169   0.499 2 U          2.011e+04  0.00e+00 m   0   65   73 0
  67   0.769   8.519 2 U          7.235e+03  0.00e+00 m   0   68   60 0
  69   0.769   1.521 2 U          5.462e+04  0.00e+00 m   0   68   64 0
  70   0.769   1.169 2 U          2.563e+04  0.00e+00 m   0   68   65 0
  71   0.769   0.769 2 U          1.137e+06  0.00e+00 m   0   68   68 0
  72   0.769   0.499 2 U          5.492e+04  0.00e+00 m   0   68   73 0
  73   0.495   8.519 2 U          4.872e+03  0.00e+00 m   0   69   60 0
  75   0.499   1.521 2 U          6.088e+04  0.00e+00 m   0   73   64 0
  76   0.499   1.169 2 U          2.367e+04  0.00e+00 m   0   73   65 0
  77   0.499   0.769 2 U          5.106e+04  0.00e+00 m   0   73   68 0
  78   0.499   0.499 2 U          1.913e+06  0.00e+00 m   0   73   73 0
  79   8.617   8.617 2 U          9.928e+04  0.00e+00 m   0  114  114 0
  82   3.895   8.617 2 U          1.162e+04  0.00e+00 m   0  116  114 0
  83   3.895   3.895 2 U          6.059e+05  0.00e+00 m   0  116  116 0
  84   3.895   3.268 2 U          1.039e+05  0.00e+00 m   0  116  117 0
  85   3.268   8.617 2 U          1.027e+04  0.00e+00 m   0  117  114 0
  87   3.268   3.268 2 U          7.235e+05  0.00e+00 m   0  117  117 0
  88   7.308   7.299 2 U          1.734e+05  0.00e+00 m   0  121  121 0
  98   5.119   7.299 2 U          4.261e+03  0.00e+00 m   0  123  121 0
  99   5.119   5.119 2 U          2.060e+04  0.00e+00 m   0  123  123 0
 100   5.119   3.005 2 U          7.987e+03  0.00e+00 m   0  123  125 0
 101   5.119   2.704 2 U          1.532e+04  0.00e+00 m   0  123  126 0
 102   5.119   6.762 2 U          3.477e+03  0.00e+00 m   0  123  134 0
 103   5.119   7.114 2 U          9.205e+03  0.00e+00 m   0  123  135 0
 108   3.005   7.299 2 U          1.102e+04  0.00e+00 m   0  125  121 0
 109   3.005   5.119 2 U          1.333e+03  0.00e+00 m   0  125  123 0
 110   3.005   3.005 2 U          1.709e+05  0.00e+00 m   0  125  125 0
 111   3.005   2.704 2 U          7.108e+04  0.00e+00 m   0  125  126 0
 112   3.005   6.762 2 U          9.352e+03  0.00e+00 m   0  125  134 0
 113   3.005   6.762 2 U          9.352e+03  0.00e+00 m   0  125  134 0
 118   2.704   7.299 2 U          9.646e+03  0.00e+00 m   0  126  121 0
 119   2.704   5.119 2 U          2.796e+03  0.00e+00 m   0  126  123 0
 120   2.704   3.005 2 U          6.670e+04  0.00e+00 m   0  126  125 0
 121   2.704   2.704 2 U          6.132e+05  0.00e+00 m   0  126  126 0
 122   2.704   6.762 2 U          1.892e+04  0.00e+00 m   0  126  134 0
 123   2.704   6.762 2 U          1.892e+04  0.00e+00 m   0  126  134 0
 125   2.704   6.557 2 U          4.116e+03  0.00e+00 m   0  126  383 0
 132   6.762   6.762 2 U          1.060e+06  0.00e+00 m   0  134  134 0
 133   6.762   7.114 2 U          7.644e+03  0.00e+00 m   0  134  135 0
 134   6.762  10.363 2 U          2.442e+04  0.00e+00 -   0  134  138 0
 143   7.114   7.114 2 U          4.009e+05  0.00e+00 m   0  135  135 0
 144   7.114  10.363 2 U          5.480e+02  0.00e+00 -   0  135  138 0
 154  10.372  10.368 2 U          1.312e+05  0.00e+00 -   0  138  138 0
 158   6.554   7.299 2 U          5.821e+04  0.00e+00 m   0  139  121 0
 162   6.554   6.762 2 U          1.940e+04  0.00e+00 m   0  139  134 0
 163   6.554   7.114 2 U          7.244e+03  0.00e+00 m   0  139  135 0
 165   6.554   6.554 2 U          5.011e+05  0.00e+00 m   0  139  139 0
 166   6.554   7.197 2 U          6.339e+03  0.00e+00 m   0  139  141 0
 167   6.551   6.764 2 U          1.810e+04  0.00e+00 m   0  139  142 0
 174   7.197  10.363 2 U          1.252e+04  0.00e+00 -   0  141  138 0
 176   7.197   7.197 2 U          4.709e+05  0.00e+00 m   0  141  141 0
 178   6.757   7.299 2 U          1.743e+03  0.00e+00 m   0  142  121 0
 183   6.757   7.114 2 U          3.486e+03  0.00e+00 m   0  142  135 0
 184   6.757  10.363 2 U          6.490e+02  0.00e+00 -   0  142  138 0
 185   6.757   6.554 2 U          2.448e+04  0.00e+00 m   0  142  139 0
 186   6.757   7.197 2 U          1.760e+04  0.00e+00 m   0  142  141 0
 187   6.757   6.757 2 U          5.579e+05  0.00e+00 m   0  142  142 0
 188   9.262   9.262 2 U          7.481e+04  0.00e+00 m   0  145  145 0
 193   4.407   9.262 2 U          6.290e+03  0.00e+00 m   0  147  145 0
 194   4.407   4.407 2 U         -4.461e+03  0.00e+00 m   0  147  147 0
 195   4.407   1.737 2 U          1.566e+04  0.00e+00 m   0  147  149 0
 196   4.407   2.084 2 U          7.402e+03  0.00e+00 m   0  147  153 0
 197   4.407   1.895 2 U          6.397e+03  0.00e+00 m   0  147  154 0
 198   1.746   9.262 2 U          3.856e+03  0.00e+00 m   0  149  145 0
 200   1.746   1.738 2 U          1.856e+06  0.00e+00 m   0  149  149 0
 201   1.746   2.084 2 U          3.494e+04  0.00e+00 m   0  149  153 0
 202   1.746   1.895 2 U          8.008e+04  0.00e+00 m   0  149  154 0
 205   2.084   1.737 2 U          5.426e+04  0.00e+00 m   0  153  149 0
 206   2.084   2.084 2 U          4.739e+05  0.00e+00 m   0  153  153 0
 207   2.084   1.895 2 U          1.099e+05  0.00e+00 m   0  153  154 0
 208   1.895   9.262 2 U          1.764e+03  0.00e+00 m   0  154  145 0
 210   1.895   1.737 2 U          7.830e+04  0.00e+00 m   0  154  149 0
 211   1.895   2.084 2 U          9.699e+04  0.00e+00 m   0  154  153 0
 212   1.895   1.895 2 U          4.749e+05  0.00e+00 m   0  154  154 0
 213   8.578   8.578 2 U          1.780e+05  0.00e+00 m   0  160  160 0
 221   4.163   8.578 2 U          1.988e+04  0.00e+00 m   0  162  160 0
 222   4.163   4.163 2 U          2.229e+05  0.00e+00 m   0  162  162 0
 223   4.163   1.279 2 U          1.474e+04  0.00e+00 m   0  162  164 0
 224   4.163   0.769 2 U          5.538e+03  0.00e+00 m   0  162  165 0
 225   4.163   0.607 2 U          9.046e+03  0.00e+00 m   0  162  168 0
 226   4.163   0.691 2 U          1.112e+04  0.00e+00 m   0  162  169 0
 229   1.279   8.578 2 U          1.340e+04  0.00e+00 m   0  164  160 0
 231   1.279   1.279 2 U          7.071e+05  0.00e+00 m   0  164  164 0
 232   1.279   0.769 2 U          2.273e+04  0.00e+00 m   0  164  165 0
 233   1.279   0.607 2 U          3.368e+04  0.00e+00 m   0  164  168 0
 234   1.279   0.691 2 U          5.160e+04  0.00e+00 m   0  164  169 0
 235   1.279   1.416 2 U          1.246e+05  0.00e+00 m   0  164  172 0
 236   1.279   1.298 2 U          6.914e+05  0.00e+00 m   0  164  173 0
 237   0.769   8.578 2 U          1.253e+04  0.00e+00 m   0  165  160 0
 239   0.769   1.279 2 U          1.901e+04  0.00e+00 m   0  165  164 0
 240   0.769   0.769 2 U          1.137e+06  0.00e+00 m   0  165  165 0
 241   0.769   0.607 2 U          2.911e+04  0.00e+00 m   0  165  168 0
 242   0.769   0.691 2 U          1.597e+05  0.00e+00 m   0  165  169 0
 243   0.769   1.416 2 U          1.745e+04  0.00e+00 m   0  165  172 0
 244   0.769   1.298 2 U          1.729e+04  0.00e+00 m   0  165  173 0
 247   0.607   1.279 2 U          2.614e+04  0.00e+00 m   0  168  164 0
 248   0.607   0.769 2 U          1.660e+04  0.00e+00 m   0  168  165 0
 249   0.607   0.607 2 U          1.139e+06  0.00e+00 m   0  168  168 0
 250   0.607   0.691 2 U          1.245e+05  0.00e+00 m   0  168  169 0
 251   0.607   1.416 2 U          1.909e+04  0.00e+00 m   0  168  172 0
 252   0.607   1.298 2 U          2.527e+04  0.00e+00 m   0  168  173 0
 255   0.691   1.279 2 U          4.871e+04  0.00e+00 m   0  169  164 0
 256   0.691   0.769 2 U          1.430e+05  0.00e+00 m   0  169  165 0
 257   0.691   0.607 2 U          1.480e+05  0.00e+00 m   0  169  168 0
 258   0.691   0.691 2 U          1.728e+06  0.00e+00 m   0  169  169 0
 259   0.691   1.416 2 U          2.889e+04  0.00e+00 m   0  169  172 0
 260   0.691   1.298 2 U          6.005e+04  0.00e+00 m   0  169  173 0
 263   1.416   1.279 2 U          1.135e+05  0.00e+00 m   0  172  164 0
 264   1.416   0.769 2 U          1.626e+04  0.00e+00 m   0  172  165 0
 265   1.416   0.607 2 U          1.690e+04  0.00e+00 m   0  172  168 0
 266   1.416   0.691 2 U          2.523e+04  0.00e+00 m   0  172  169 0
 267   1.416   1.416 2 U          6.050e+05  0.00e+00 m   0  172  172 0
 268   1.416   1.298 2 U          1.268e+05  0.00e+00 m   0  172  173 0
 271   1.298   1.279 2 U          3.812e+05  0.00e+00 m   0  173  164 0
 272   1.298   0.769 2 U          1.290e+04  0.00e+00 m   0  173  165 0
 273   1.298   0.607 2 U          1.899e+04  0.00e+00 m   0  173  168 0
 274   1.298   0.691 2 U          3.514e+04  0.00e+00 m   0  173  169 0
 275   1.298   1.416 2 U          9.676e+04  0.00e+00 m   0  173  172 0
 276   1.298   1.298 2 U          6.116e+05  0.00e+00 m   0  173  173 0
 277   8.464   8.464 2 U          2.452e+05  0.00e+00 m   0  185  185 0
 286   4.140   8.464 2 U          4.570e+04  0.00e+00 m   0  187  185 0
 287   4.140   4.140 2 U          2.829e+05  0.00e+00 m   0  187  187 0
 288   4.140   1.040 2 U          3.680e+04  0.00e+00 m   0  187  189 0
 289   4.140  -0.297 2 U          1.051e+04  0.00e+00 m   0  187  190 0
 290   4.140   0.834 2 U          9.359e+03  0.00e+00 m   0  187  193 0
 292   4.140   2.765 2 U          4.833e+03  0.00e+00 m   0  187  197 0
 295   1.040   8.464 2 U          8.154e+03  0.00e+00 m   0  189  185 0
 297   1.040   1.040 2 U          4.195e+05  0.00e+00 m   0  189  189 0
 298   1.040  -0.297 2 U          5.577e+04  0.00e+00 m   0  189  190 0
 299   1.040   0.834 2 U          7.393e+04  0.00e+00 m   0  189  193 0
 300   1.040   1.004 2 U          2.971e+05  0.00e+00 m   0  189  194 0
 304  -0.288   8.464 2 U          6.903e+03  0.00e+00 m   0  190  185 0
 306  -0.288   1.040 2 U          4.442e+04  0.00e+00 m   0  190  189 0
 307  -0.288  -0.297 2 U          4.293e+04  0.00e+00 m   0  190  190 0
 308  -0.288   0.834 2 U          9.200e+03  0.00e+00 m   0  190  193 0
 309  -0.288   1.004 2 U          3.078e+04  0.00e+00 m   0  190  194 0
 313   0.834   8.464 2 U          3.292e+03  0.00e+00 m   0  193  185 0
 315   0.834   1.040 2 U          8.511e+04  0.00e+00 m   0  193  189 0
 316   0.834  -0.297 2 U          1.130e+04  0.00e+00 m   0  193  190 0
 317   0.834   0.834 2 U          1.223e+06  0.00e+00 m   0  193  193 0
 318   0.834   1.004 2 U          7.143e+04  0.00e+00 m   0  193  194 0
 321   0.832   6.518 2 U          2.740e+03  0.00e+00 m   0  194  330 0
 322   1.013   8.464 2 U          8.483e+03  0.00e+00 m   0  194  185 0
 324   1.013   1.040 2 U          5.809e+05  0.00e+00 m   0  194  189 0
 325   1.013  -0.297 2 U          4.990e+04  0.00e+00 m   0  194  190 0
 326   1.013   0.834 2 U          8.955e+04  0.00e+00 m   0  194  193 0
 327   1.013   1.004 2 U          5.306e+05  0.00e+00 m   0  194  194 0
 330   1.013   6.717 2 U          5.205e+03  0.00e+00 m   0  193  201 0
 333   2.765   1.040 2 U          2.081e+04  0.00e+00 m   0  197  189 0
 334   2.765  -0.297 2 U          4.947e+03  0.00e+00 m   0  197  190 0
 335   2.765   0.834 2 U          6.242e+03  0.00e+00 m   0  197  193 0
 336   2.765   1.004 2 U          1.478e+04  0.00e+00 m   0  197  194 0
 337   2.765   2.765 2 U          6.391e+05  0.00e+00 m   0  197  197 0
 338   2.765   2.636 2 U          8.442e+04  0.00e+00 m   0  197  198 0
 339   2.765   6.717 2 U          1.036e+04  0.00e+00 m   0  197  201 0
 342   2.636   1.040 2 U          1.556e+04  0.00e+00 m   0  198  189 0
 343   2.636  -0.297 2 U          5.172e+03  0.00e+00 m   0  198  190 0
 344   2.636   0.834 2 U          9.342e+03  0.00e+00 m   0  198  193 0
 345   2.636   1.004 2 U          1.145e+04  0.00e+00 m   0  198  194 0
 346   2.636   2.765 2 U          7.644e+04  0.00e+00 m   0  198  197 0
 347   2.636   2.636 2 U          4.496e+05  0.00e+00 m   0  198  198 0
 348   2.636   6.717 2 U          6.750e+03  0.00e+00 m   0  198  201 0
 357   6.717   6.717 2 U          7.823e+05  0.00e+00 m   0  201  201 0
 358   7.696   7.696 2 U          3.177e+05  0.00e+00 m   0  211  211 0
 362   4.808   7.696 2 U          6.710e+03  0.00e+00 m   0  213  211 0
 363   4.808   4.808 2 U          7.704e+04  0.00e+00 m   0  213  213 0
 364   4.808   3.542 2 U          1.283e+04  0.00e+00 m   0  213  215 0
 365   4.808   0.880 2 U          2.339e+04  0.00e+00 m   0  213  216 0
 366   3.542   7.696 2 U          1.423e+04  0.00e+00 m   0  215  211 0
 368   3.542   3.542 2 U          1.081e+06  0.00e+00 m   0  215  215 0
 369   3.542   0.880 2 U          3.924e+04  0.00e+00 m   0  215  216 0
 370   9.067   9.067 2 U          1.394e+05  0.00e+00 m   0  224  224 0
 374   4.670   9.067 2 U          4.757e+03  0.00e+00 m   0  226  224 0
 375   4.670   4.670 2 U          4.771e+06  0.00e+00 m   0  226  226 0
 376   4.670   3.214 2 U          1.411e+04  0.00e+00 m   0  226  228 0
 377   4.670   2.583 2 U          2.471e+04  0.00e+00 m   0  226  229 0
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1000   2.560   1.323 2 U          1.906e+04  0.00e+00 m   0  588  581 0
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1012   2.549   8.308 2 U          2.781e+03  0.00e+00 m   0  589  592 0
1021   6.516   6.516 1 U          5.538e+05  0.00e+00 m   0  330  330 0
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1024   6.056   6.056 1 U          3.614e+05  0.00e+00 m   0  329  329 0
1025   6.672   6.672 1 U          4.982e+05  0.00e+00 m   0  352  352 0
1026   6.672   6.917 1 U          6.870e+04  0.00e+00 m   0  352  353 0
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1028   6.917   6.917 1 U          1.283e+06  0.00e+00 m   0  353  353 0
1029   6.917   6.966 1 U          1.029e+06  0.00e+00 m   0  353  346 0
1030   6.720   6.957 1 U          5.544e+03  0.00e+00 m   0  401  402 0
1031   6.952   6.957 1 U          9.835e+05  0.00e+00 m   0  402  402 0
1034   6.966   6.917 1 U          5.632e+05  0.00e+00 m   0  346  353 0
1035   6.966   6.966 1 U          7.257e+05  0.00e+00 m   0  346  346 0
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1044   5.216   8.847 1 U          2.795e+04  0.00e+00 m   0  335  356 0
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1046   2.847   8.847 1 U          5.626e+03  0.00e+00 m   0  338  356 0
1047   4.518   8.731 1 U          1.907e+04  0.00e+00 m   0  312  333 0
1048   2.535   8.731 1 U          1.308e+04  0.00e+00 m   0  314  333 0
1049   2.123   8.731 1 U          9.034e+03  0.00e+00 m   0  315  333 0
1050   4.163   8.847 1 U          4.596e+03  0.00e+00 m   0  162  356 0
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1080   4.427   8.496 1 U          5.452e+04  0.00e+00 m   0  294  310 0
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1126   4.170   8.519 1 U          5.557e+04  0.00e+00 m   0   46   60 0
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1132   4.170   1.750 1 U          6.765e+03  0.00e+00 m   0   46   52 0
1134   3.337   1.989 1 U          3.518e+03  0.00e+00 m   0   55   48 0
1135   3.337   1.750 1 U          1.947e+04  0.00e+00 m   0   55   52 0
1136   3.337   1.625 1 U          1.670e+04  0.00e+00 m   0   55   49 0
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1144   3.728   3.328 1 U          2.871e+04  0.00e+00 m   0   40   55 0
1146   3.728   3.291 1 U          4.072e+04  0.00e+00 m   0   40   56 0
1147   3.300   1.989 1 U          8.916e+03  0.00e+00 m   0   56   48 0
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1149   3.300   1.625 1 U          2.733e+04  0.00e+00 m   0   56   49 0
1150   3.728   8.236 1 U          1.531e+04  0.00e+00 m   0   40   37 0
1151   3.337   8.236 1 U          3.580e+02  0.00e+00 m   0   55   37 0
1152   3.300   8.236 1 U          3.434e+03  0.00e+00 m   0   56   37 0
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1154   4.221   8.124 1 U          7.786e+03  0.00e+00 m   0   21   19 0
1157   3.728   3.728 1 U          3.645e+05  0.00e+00 m   0   40   40 0
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1194   3.248   7.463 1 U          3.500e+01  0.00e+00 m   0  562  602 0
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1607   6.102   6.914 1 U         -6.500e+01  0.00e+00 m   0  287  282 0
1608   1.639   6.914 1 U          7.237e+03  0.00e+00 m   0  271  282 0
1609   1.793   6.914 1 U          4.240e+03  0.00e+00 m   0  270  282 0
1611   1.639   6.616 1 U          5.781e+03  0.00e+00 m   0  271  528 0
1613   6.672   8.731 1 U          1.122e+04  0.00e+00 m   0  352  333 0
1628   0.406   0.406 1 U          1.730e+06  0.00e+00 m   0  362  362 0
1629   0.483   0.483 1 U          2.099e+06  0.00e+00 m   0  361  361 0
1630   0.406   0.483 1 U          1.810e+05  0.00e+00 m   0  362  361 0
1631   0.483   0.406 1 U          1.440e+05  0.00e+00 m   0  361  362 0
1632   0.483   1.521 1 U          6.672e+04  0.00e+00 m   0  361  360 0
1633   0.406   1.521 1 U          2.934e+04  0.00e+00 m   0  362  360 0
1635   6.557   6.557 1 U          4.892e+05  0.00e+00 m   0  383  383 0
1637   4.170   4.170 1 U          1.899e+05  0.00e+00 m   0   46   46 0
1645   4.170   3.328 1 U          5.905e+03  0.00e+00 m   0   46   55 0
1646   4.170   3.291 1 U          8.783e+03  0.00e+00 m   0   46   56 0
1648   3.300   3.328 1 U          4.834e+05  0.00e+00 m   0   56   55 0
1649   3.337   3.291 1 U          2.643e+05  0.00e+00 m   0   55   56 0
1650   4.522   4.522 1 U          6.586e+05  0.00e+00 m   0   84   84 0
1651   2.737   2.728 1 U          4.624e+05  0.00e+00 m   0   93   93 0
1652   3.268   3.259 1 U          6.751e+05  0.00e+00 m   0   94   94 0
1653   2.356   2.356 1 U          3.178e+05  0.00e+00 m   0   86   86 0
1654   1.691   1.693 1 U          2.586e+06  0.00e+00 m   0    0    0 0
1657   3.268   2.728 1 U          1.652e+04  0.00e+00 m   0   94   93 0
1663   1.790   1.790 1 U          8.789e+05  0.00e+00 m   0   87   87 0
1664   1.467   1.458 1 U          5.954e+05  0.00e+00 m   0   91   91 0
1671   1.790   1.458 1 U          1.833e+04  0.00e+00 m   0   87   91 0
1691   3.347   2.356 1 U         -6.641e+04  0.00e+00 r   0  110  572 0
1692   3.636   2.356 1 U         -3.211e+04  0.00e+00 r   0  109  572 0
1702   3.347   3.347 1 U          5.246e+05  0.00e+00 m   0  110  110 0
1703   2.056   2.056 1 U          4.739e+05  0.00e+00 m   0  102  102 0
1704   1.791   1.782 1 U          8.698e+05  0.00e+00 m   0  107  107 0
1705   1.663   1.654 1 U          2.865e+06  0.00e+00 m   0  103  103 0
1706   1.900   1.891 1 U          4.033e+05  0.00e+00 m   0  106  106 0
1707   4.094   4.094 1 U          3.362e+05  0.00e+00 m   0  100  100 0
1710   3.636   3.636 1 U          3.713e+05  0.00e+00 m   0  109  109 0
1711   2.056   1.891 1 U          1.093e+05  0.00e+00 m   0  102  106 0
1712   1.900   2.056 1 U          8.752e+04  0.00e+00 m   0  106  102 0
1713   1.791   2.056 1 U          3.955e+04  0.00e+00 m   0  107  102 0
1714   2.056   1.782 1 U          5.082e+04  0.00e+00 m   0  102  107 0
1715   1.791   1.654 1 U          1.976e+05  0.00e+00 m   0  107  103 0
1716   1.900   1.654 1 U          4.821e+04  0.00e+00 m   0  106  103 0
1717   2.056   1.654 1 U          1.097e+05  0.00e+00 m   0  102  103 0
1718   1.663   2.056 1 U          6.737e+04  0.00e+00 m   0  103  102 0
1719   1.791   1.891 1 U          1.282e+05  0.00e+00 m   0  107  106 0
1720   1.663   1.891 1 U          5.562e+04  0.00e+00 m   0  103  106 0
1721   1.663   1.782 1 U          2.012e+05  0.00e+00 m   0  103  107 0
1722   1.900   1.782 1 U          6.503e+04  0.00e+00 m   0  106  107 0
1760   4.522   1.790 1 U          7.528e+03  0.00e+00 m   0   84   87 0
1761   4.522   1.632 1 U          5.285e+03  0.00e+00 m   0   84    0 0
1762   1.675   1.666 1 U          3.198e+06  0.00e+00 m   0   90   90 0
1765   1.790   1.666 1 U          1.871e+05  0.00e+00 m   0   87   90 0
1766   1.675   1.790 1 U          1.638e+05  0.00e+00 m   0   90   87 0
1767   1.675   1.458 1 U          2.262e+04  0.00e+00 m   0   90   91 0
1768   1.467   1.666 1 U          1.306e+04  0.00e+00 m   0   91   90 0
1771   2.737   2.356 1 U          3.278e+03  0.00e+00 m   0   93   86 0
1772   2.356   2.728 1 U          4.681e+03  0.00e+00 m   0   86   93 0
1773   1.467   1.790 1 U          5.670e+03  0.00e+00 m   0   91   87 0
1776   2.737   1.790 1 U         -3.800e+01  0.00e+00 m   0   93   87 0
1777   3.268   1.790 1 U          5.176e+03  0.00e+00 m   0   94   87 0
1778   2.356   1.666 1 U          1.515e+04  0.00e+00 m   0   86   90 0
1789   7.308   8.617 1 U          3.781e+03  0.00e+00 m   0  121  114 0
1793   6.554   8.129 1 U          7.500e+01  0.00e+00 m   0  139  374 0
1794   6.762   6.762 1 U          1.060e+06  0.00e+00 m   0  134  134 0
1805   2.704   0.769 1 U          9.320e+03  0.00e+00 m   0  126   68 0
1806   6.762  10.363 1 U          2.442e+04  0.00e+00 -   0  134  138 0
1811   7.114   7.197 1 U          2.611e+04  0.00e+00 m   0  135  141 0
1812   7.197   7.114 1 U          2.053e+04  0.00e+00 m   0  141  135 0
1814   4.407   1.688 1 U          1.622e+04  0.00e+00 m   0  147  150 0
1815   1.697   1.688 1 U          1.960e+06  0.00e+00 m   0  150  150 0
1816   1.697   1.737 1 U          1.490e+06  0.00e+00 m   0  150  149 0
1817   1.746   1.688 1 U          4.250e+05  0.00e+00 m   0  149  150 0
1819   1.697   9.262 1 U          6.720e+03  0.00e+00 m   0  150  145 0
1820   1.697   8.578 1 U          5.038e+03  0.00e+00 m   0  150  160 0
1825   1.895   1.688 1 U          6.369e+04  0.00e+00 m   0  154  150 0
1826   1.895   1.688 1 U          6.369e+04  0.00e+00 m   0  154  150 0
1829   1.692   1.895 1 U          4.604e+04  0.00e+00 m   0  150  154 0
1830   1.688   2.084 1 U          3.846e+04  0.00e+00 m   0  150  153 0
1833   0.607   6.966 1 U          5.335e+03  0.00e+00 m   0  168  346 0
1835   4.163   1.416 1 U          1.450e+04  0.00e+00 m   0  162  172 0
1836   4.163   1.298 1 U          1.405e+04  0.00e+00 m   0  162  173 0
1841   4.163   0.769 1 U          5.538e+03  0.00e+00 m   0  162   68 0
1842   2.576   0.607 1 U          8.346e+03  0.00e+00 m   0  176  168 0
1843   2.576   0.691 1 U          2.199e+04  0.00e+00 m   0  176  169 0
1845   2.576   1.298 1 U          2.256e+04  0.00e+00 m   0  176  173 0
1846   2.576   1.416 1 U          2.330e+04  0.00e+00 m   0  176  172 0
1847   2.576   1.279 1 U          2.030e+04  0.00e+00 m   0  176  164 0
1848   2.576   2.576 1 U          1.273e+06  0.00e+00 m   0  176  176 0
1855   0.607   6.917 1 U          8.984e+03  0.00e+00 m   0  168  353 0
1857   1.416   8.578 1 U          1.852e+04  0.00e+00 m   0  172  160 0
1861   4.163   6.917 1 U          4.037e+03  0.00e+00 m   0   46  353 0
1862   4.163   6.672 1 U          1.072e+04  0.00e+00 m   0  162  352 0
1863   1.416   8.464 1 U          5.484e+03  0.00e+00 m   0  172  185 0
1874   2.576   6.966 1 U          5.780e+03  0.00e+00 m   0  176  346 0
1875   2.576   6.917 1 U          1.096e+04  0.00e+00 m   0  176  353 0
1878   1.298   6.966 1 U          6.237e+03  0.00e+00 m   0  173  346 0
1879   1.298   6.917 1 U          9.893e+03  0.00e+00 m   0  173  353 0
1911   8.190   8.421 1 U          1.083e+04  0.00e+00 m   0  245  266 0
1912   1.040   6.056 1 U          5.441e+03  0.00e+00 m   0  193  329 0
1913   4.140   6.056 1 U          1.017e+03  0.00e+00 m   0  187  329 0
1915   4.427   4.808 1 U          1.618e+04  0.00e+00 m   0  294  213 0
1916   4.808   4.427 1 U         -1.537e+03  0.00e+00 m   0  213  294 0
1917   1.013   7.696 1 U          1.563e+04  0.00e+00 m   0  194  211 0
1918   0.834   7.696 1 U          1.895e+03  0.00e+00 m   0  193  211 0
1921   1.040   6.516 1 U          2.858e+03  0.00e+00 m   0  193  330 0
1925   3.645   8.181 1 U          1.929e+03  0.00e+00 m   0  240  245 0
1926   3.728   8.406 1 U          6.454e+03  0.00e+00 m   0  239  235 0
1927   3.645   8.406 1 U          7.974e+03  0.00e+00 m   0  240  235 0
1928   4.660   8.181 1 U          3.032e+04  0.00e+00 m   0  247  245 0
1935   0.732   0.732 1 U          1.936e+06  0.00e+00 m   0  297  297 0
1936   0.415   0.732 1 U          4.009e+04  0.00e+00 m   0  298  297 0
1937   0.732   0.415 1 U          5.598e+04  0.00e+00 m   0  297  298 0
1938   0.415   0.415 1 U          1.143e+06  0.00e+00 m   0  298  298 0
1939   0.732   1.619 1 U          3.920e+04  0.00e+00 m   0  297  296 0
1940   0.415   1.619 1 U          2.944e+04  0.00e+00 m   0  298  296 0
1948   0.718   0.718 1 U          2.382e+06  0.00e+00 m   0  424  424 0
1952   0.718   7.265 1 U          1.565e+04  0.00e+00 m   0  424  419 0
1953   0.718   7.608 1 U          2.463e+03  0.00e+00 m   0  424  432 0
1956   2.675   0.718 1 U          6.369e+03  0.00e+00 m   0  409  424 0
1964   8.287   8.412 1 U          1.449e+04  0.00e+00 m   0  405  388 0
1965   8.412   8.287 1 U          2.269e+04  0.00e+00 m   0  388  405 0
1966   3.938   8.421 1 U          1.322e+04  0.00e+00 m   0  237  266 0
1968   3.938   3.319 1 U          8.714e+04  0.00e+00 m   0  237  261 0
1977  -0.286   6.516 1 U          1.792e+03  0.00e+00 m   0  189  330 0
1984   0.560   0.560 1 U          1.669e+06  0.00e+00 m   0  463  463 0
1985   0.686   0.560 1 U          1.057e+05  0.00e+00 m   0  472  463 0
1989   0.686   0.686 1 U          2.333e+06  0.00e+00 m   0  472  472 0
1990   0.560   0.871 1 U          3.739e+04  0.00e+00 m   0  463  470 0
1991   0.686   0.871 1 U          4.619e+04  0.00e+00 m   0  472  470 0
1992   0.560   1.115 1 U          2.652e+04  0.00e+00 m   0  463  469 0
1993   0.686   1.115 1 U          3.841e+04  0.00e+00 m   0  472  469 0
1994   0.560   0.686 1 U          1.055e+05  0.00e+00 m   0  463  472 0
1995   0.880   0.686 1 U          3.994e+04  0.00e+00 m   0  470  472 0
1996   1.124   0.686 1 U          2.903e+04  0.00e+00 m   0  469  472 0
1997   1.296   0.686 1 U          2.660e+04  0.00e+00 m   0  462  472 0
1998   0.560   1.296 1 U          6.180e+04  0.00e+00 m   0  463  462 0
1999   0.686   1.296 1 U          2.596e+04  0.00e+00 m   0  472  462 0
2010   5.028   4.827 1 U         -2.283e+04  0.00e+00 m   0  481  358 0
2012   0.812   0.812 1 U          1.252e+06  0.00e+00 m   0  484  484 0
2018   6.616   7.030 1 U          1.462e+03  0.00e+00 m   0  528  530 0
2025   0.812   0.483 1 U          3.599e+04  0.00e+00 r   0  484  361 0
2026   0.812   0.406 1 U          2.068e+04  0.00e+00 r   0  484  362 0
2027   0.483   0.812 1 U          4.645e+04  0.00e+00 m   0  361  484 0
2028   0.406   0.812 1 U          2.357e+04  0.00e+00 m   0  362  484 0
2034   1.980   6.966 1 U          5.955e+03  0.00e+00 r   0  542  346 0
2040   0.607   6.672 1 U          2.309e+03  0.00e+00 r   0  168  352 0
2042   2.535   6.616 1 U          2.072e+04  0.00e+00 r   0  314  528 0
2043   0.880   7.956 1 U          1.081e+04  0.00e+00 r   0  216  259 0
2044   0.495   6.917 1 U          2.060e+04  0.00e+00 r   0   69  353 0
2047   1.416   6.917 1 U          7.684e+03  0.00e+00 r   0  172  353 0
2048   0.493   6.672 1 U          8.948e+03  0.00e+00 r   0  564  352 0
2049   0.495   6.680 1 U          1.472e+04  0.00e+00 r   0   69  352 0
2050   2.532   7.956 1 U          3.765e+03  0.00e+00 r   0  250  259 0
2051   2.706   7.956 1 U          2.029e+03  0.00e+00 r   0  249  259 0
2053   6.672   7.114 1 U          5.854e+03  0.00e+00 r   0  352  135 0
2054   4.673   2.524 1 U          2.035e+04  0.00e+00 -   0  512  314 0
2055   2.576   0.732 1 U          1.891e+04  0.00e+00 -   0  176  297 0
2056   2.576   0.415 1 U          1.553e+04  0.00e+00 -   0  176  298 0
2058   0.493   6.758 1 U          6.611e+03  0.00e+00 r   0  564  142 0
2059   0.675   6.760 1 U          2.556e+04  0.00e+00 r   0  568  142 0
2060   0.680   8.190 1 U          2.766e+04  0.00e+00 r   0  471  479 0
2061   0.671   6.557 1 U          1.506e+04  0.00e+00 r   0  568  139 0
2063   0.557   7.198 1 U          8.890e+03  0.00e+00 r   0  564  141 0
2064   0.675   7.198 1 U          9.263e+03  0.00e+00 r   0  568  141 0
2065   0.478   6.557 1 U          6.819e+03  0.00e+00 r   0  565  139 0
2067   1.285   6.672 1 U          2.138e+04  0.00e+00 r   0  168  352 0
2069   0.830   6.717 1 U          1.138e+04  0.00e+00 r   0  194  201 0
2071   1.428   7.777 1 U          1.908e+04  0.00e+00 r   0  275  524 0
2072   1.401   6.616 1 U          1.642e+04  0.00e+00 r   0  275  528 0

# Number of dimensions 2
#INAME 1 H
#INAME 2 H
   1   8.418   8.432 2 U          1.916e+06  0.00e+00 m   0    9    9 0
   3   8.169   8.169 2 U          1.028e+07  0.00e+00 m   0   19   19 0
  10   4.297   4.297 2 U          1.502e+06  0.00e+00 m   0   21   21 0
  15   1.812   8.169 2 U          5.574e+04  0.00e+00 m   0   23   19 0
  17   1.812   1.812 2 U          5.051e+07  0.00e+00 m   0   23   23 0
  18   1.812   1.714 2 U          1.898e+06  0.00e+00 m   0   23   24 0
  21   1.714   8.169 2 U          2.030e+05  0.00e+00 m   0   24   19 0
  24   1.714   1.714 2 U          2.198e+07  0.00e+00 m   0   24   24 0
  27   2.367   8.169 2 U          2.266e+04  0.00e+00 m   0   27   19 0
  29   2.367   1.812 2 U          9.632e+04  0.00e+00 m   0   27   23 0
  30   2.367   1.714 2 U          9.319e+04  0.00e+00 m   0   27   24 0
  31   2.367   2.367 2 U          8.547e+06  0.00e+00 m   0   27   27 0
  32   2.367   2.283 2 U          8.984e+05  0.00e+00 m   0   27   28 0
  33   2.283   8.169 2 U          3.376e+04  0.00e+00 m   0   28   19 0
  35   2.283   1.812 2 U          8.428e+04  0.00e+00 m   0   28   23 0
  36   2.283   1.714 2 U          3.340e+02  0.00e+00 m   0   28   24 0
  37   2.283   2.367 2 U          9.258e+05  0.00e+00 m   0   28   27 0
  38   2.283   2.283 2 U          6.878e+06  0.00e+00 m   0   28   28 0
  39   8.281   8.281 2 U          1.032e+07  0.00e+00 m   0   37   37 0
  41   3.906   8.281 2 U          1.848e+05  0.00e+00 m   0   39   37 0
  42   3.906   3.906 2 U          2.245e+06  0.00e+00 m   0   39   39 0
  43   8.560   8.560 2 U          4.414e+06  0.00e+00 m   0   60   60 0
  49   3.977   8.560 2 U          1.699e+05  0.00e+00 m   0   62   60 0
  50   3.977   3.977 2 U          9.237e+06  0.00e+00 m   0   62   62 0
  52   3.977   1.238 2 U          2.427e+05  0.00e+00 m   0   62   65 0
  53   3.977   0.850 2 U          2.822e+05  0.00e+00 m   0   62   68 0
  54   3.977   0.585 2 U          3.517e+05  0.00e+00 m   0   62   73 0
  55   1.595   8.560 2 U          5.115e+05  0.00e+00 m   0   64   60 0
  57   1.595   1.595 2 U          1.290e+07  0.00e+00 m   0   64   64 0
  58   1.595   1.238 2 U          1.240e+06  0.00e+00 m   0   64   65 0
  59   1.595   0.850 2 U          6.036e+05  0.00e+00 m   0   64   68 0
  60   1.595   0.585 2 U          6.890e+05  0.00e+00 m   0   64   73 0
  61   1.238   8.560 2 U          1.041e+05  0.00e+00 m   0   65   60 0
  64   1.238   1.238 2 U          1.012e+07  0.00e+00 m   0   65   65 0
  65   1.238   0.850 2 U          2.514e+05  0.00e+00 m   0   65   68 0
  66   1.238   0.585 2 U          2.434e+05  0.00e+00 m   0   65   73 0
  67   0.850   8.560 2 U          1.016e+05  0.00e+00 m   0   68   60 0
  71   0.850   0.850 2 U          1.779e+07  0.00e+00 m   0   68   68 0
  72   0.850   0.585 2 U          5.869e+05  0.00e+00 m   0   68   73 0
  73   0.585   8.560 2 U          8.871e+04  0.00e+00 m   0   69   60 0
  78   0.585   0.585 2 U          3.907e+07  0.00e+00 m   0   73   73 0
  79   8.652   8.652 2 U          1.985e+06  0.00e+00 m   0  114  114 0
  82   3.972   8.652 2 U          1.302e+05  0.00e+00 m   0  116  114 0
  83   3.972   3.986 2 U          9.044e+06  0.00e+00 m   0  116  116 0
  84   3.972   3.312 2 U          1.323e+06  0.00e+00 m   0  116  117 0
  85   3.312   8.652 2 U          2.289e+05  0.00e+00 m   0  117  114 0
  87   3.312   3.312 2 U          3.631e+06  0.00e+00 m   0  117  117 0
  88   7.373   7.373 2 U          4.611e+06  0.00e+00 m   0  121  121 0
  98   5.165   7.373 2 U          1.134e+05  0.00e+00 m   0  123  121 0
  99   5.165   5.165 2 U          7.246e+05  0.00e+00 m   0  123  123 0
 100   5.165   3.095 2 U          1.486e+05  0.00e+00 m   0  123  125 0
 101   5.165   2.776 2 U          2.240e+05  0.00e+00 m   0  123  126 0
 102   5.165   6.839 2 U          5.064e+04  0.00e+00 m   0  123  134 0
 103   5.165   7.210 2 U          1.574e+05  0.00e+00 m   0  123  135 0
 108   3.095   7.373 2 U          2.670e+05  0.00e+00 m   0  125  121 0
 109   3.095   5.165 2 U          4.566e+04  0.00e+00 m   0  125  123 0
 110   3.095   3.095 2 U          2.127e+06  0.00e+00 m   0  125  125 0
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1002   2.622   2.636 2 U          1.140e+07  0.00e+00 m   0  588  588 0
1003   2.622   2.603 2 U          9.714e+06  0.00e+00 m   0  588  589 0
1004   2.622   8.382 2 U          5.737e+04  0.00e+00 m   0  588  592 0
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1008   2.589   1.397 2 U          8.204e+04  0.00e+00 m   0  589  581 0
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1010   2.589   2.636 2 U          7.361e+06  0.00e+00 m   0  589  588 0
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1012   2.589   8.382 2 U          1.772e+05  0.00e+00 m   0  589  592 0
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1023   6.135   6.586 1 U          1.286e+06  0.00e+00 m   0  329  330 0
1024   6.135   6.135 1 U          9.581e+06  0.00e+00 m   0  329  329 0
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1026   6.747   6.997 1 U          9.478e+05  0.00e+00 m   0  352  353 0
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1028   6.997   6.997 1 U          1.935e+07  0.00e+00 m   0  353  353 0
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1042   1.602   8.246 1 U          9.657e+04  0.00e+00 m   0  360  374 0
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1044   5.281   8.911 1 U          6.382e+05  0.00e+00 m   0  335  356 0
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1301   0.502   6.135 1 U          2.320e+05  0.00e+00 r   0  362  329 0
1302  -0.223   6.135 1 U          8.466e+04  0.00e+00 m   0  190  329 0
1303   0.589   6.586 1 U          1.809e+05  0.00e+00 r   0  361  330 0
1304   0.502   6.586 1 U          1.369e+05  0.00e+00 r   0  362  330 0
1307   0.946   6.138 1 U          3.103e+04  0.00e+00 m   0  193  329 0
1308   1.602   6.135 1 U          4.890e+04  0.00e+00 m   0  360  329 0
1309   2.650   6.135 1 U          1.886e+05  0.00e+00 m   0  229  329 0
1310   2.736   6.135 1 U          6.267e+04  0.00e+00 m   0  198  329 0
1311   2.846   6.135 1 U          4.921e+04  0.00e+00 m   0  197  329 0
1312   3.306   6.135 1 U          9.812e+04  0.00e+00 m   0  228  329 0
1314   1.602   6.586 1 U          2.447e+04  0.00e+00 m   0  360  330 0
1315   2.650   6.586 1 U          1.247e+05  0.00e+00 m   0  229  330 0
1316   3.306   6.586 1 U          4.353e+04  0.00e+00 m   0  228  330 0
1317   3.993   6.586 1 U          7.666e+04  0.00e+00 m   0  483  330 0
1318   4.489   6.586 1 U          9.038e+04  0.00e+00 m   0  294  330 0
1320   4.902   6.586 1 U          1.265e+05  0.00e+00 m   0  213  330 0
1323   4.902   6.135 1 U          6.071e+04  0.00e+00 m   0  213  329 0
1325   1.993   7.327 1 U          4.248e+04  0.00e+00 m   0  378    0 0
1328   1.993   6.628 1 U          6.149e+04  0.00e+00 m   0  378  383 0
1337   2.912   6.645 1 U          1.458e+05  0.00e+00 m   0  338  139 0
1338   2.616   6.645 1 U          2.001e+05  0.00e+00 m   0  337  139 0
1353   7.872   7.872 1 U          2.684e+06  0.00e+00 m   0  524  524 0
1354   7.225   8.402 1 U          1.160e+05  0.00e+00 m   0  523  510 0
1360   8.447   8.255 1 U          1.268e+05  0.00e+00 m   0  235  245 0
1361   8.021   8.499 1 U          3.133e+05  0.00e+00 m   0  259  266 0
1362   8.021   8.255 1 U          5.831e+05  0.00e+00 m   0  259  245 0
1363   7.335   8.391 1 U          2.345e+05  0.00e+00 m   0  419  405 0
1364   7.641   8.391 1 U          4.152e+04  0.00e+00 m   0  432  405 0
1366   7.453   8.391 1 U          7.748e+04  0.00e+00 m   0  415  405 0
1367   7.823   8.402 1 U          2.239e+05  0.00e+00 m   0  534  510 0
1369   7.505   8.375 1 U          2.133e+05  0.00e+00 m   0  602  576 0
1370   2.424   8.402 1 U          5.052e+04  0.00e+00 m   0  500  510 0
1371   2.231   8.375 1 U          2.139e+04  0.00e+00 m   0  571  576 0
1372   2.138   8.375 1 U          9.822e+04  0.00e+00 m   0  572  576 0
1373   2.079   8.402 1 U          1.248e+05  0.00e+00 m   0  497  510 0
1374   2.131   8.402 1 U          1.379e+05  0.00e+00 m   0  496  510 0
1375   2.160   7.872 1 U          3.946e+04  0.00e+00 m   0  315  524 0
1376   2.556   7.872 1 U          8.163e+04  0.00e+00 m   0  314  524 0
1377   2.922   7.872 1 U          6.707e+04  0.00e+00 m   0  515  524 0
1378   3.350   7.872 1 U          1.048e+05  0.00e+00 m   0  514  524 0
1379   4.589   7.872 1 U          6.144e+04  0.00e+00 m   0  312  524 0
1387   7.210   9.312 1 U          7.499e+04  0.00e+00 m   0  135  145 0
1388   7.210   8.911 1 U          7.356e+04  0.00e+00 m   0  135  356 0
1392   6.135   9.132 1 U          1.197e+05  0.00e+00 m   0  329  224 0
1398   6.586   8.537 1 U          2.053e+05  0.00e+00 m   0  330  310 0
1399   6.911   8.534 1 U          5.375e+04  0.00e+00 m   0  401  388 0
1400   4.936   6.645 1 U          5.959e+04  0.00e+00 m   0  358  139 0
1407   2.922   7.823 1 U          7.259e+04  0.00e+00 m   0  515  534 0
1409   0.493   7.046 1 U          2.392e+05  0.00e+00 m   0  298  346 0
1410   4.184   6.628 1 U          6.787e+04  0.00e+00 m   0  376  383 0
1413   1.526   7.369 1 U          5.310e+04  0.00e+00 m   0  539  506 0
1416   4.179   7.373 1 U          7.785e+04  0.00e+00 m   0  100  121 0
1417   3.976   7.373 1 U          1.613e+05  0.00e+00 m   0  116  121 0
1418   3.312   7.373 1 U          6.464e+04  0.00e+00 m   0  117  121 0
1423   3.966   6.839 1 U          1.717e+04  0.00e+00 m   0  116  134 0
1424   3.443   6.839 1 U          1.349e+04  0.00e+00 m   0  109  134 0
1425   3.324   6.839 1 U          4.883e+04  0.00e+00 m   0   94  134 0
1427   2.424   6.839 1 U          1.075e+05  0.00e+00 m   0   86  134 0
1428   2.132   6.839 1 U          9.746e+04  0.00e+00 m   0  102  134 0
1429   1.856   6.839 1 U          1.984e+05  0.00e+00 m   0  107  134 0
1430   1.728   6.839 1 U          5.841e+04  0.00e+00 m   0  103  134 0
1434   0.651   6.839 1 U          3.056e+05  0.00e+00 m   0  463  142 0
1436   0.589   6.839 1 U          4.633e+04  0.00e+00 r   0  565  142 0
1439   1.809   6.911 1 U          2.380e+04  0.00e+00 m   0  149  401 0
1445   6.167   6.167 1 U          5.616e+05  0.00e+00 m   0  287  287 0
1450   5.786   5.786 1 U          1.241e+05  0.00e+00 m   0  288  288 0
1451   5.786   6.167 1 U          1.258e+05  0.00e+00 m   0  288  287 0
1452   4.440  10.459 1 U          1.896e+03  0.00e+00 -   0    0    0 0
1453   4.440  10.459 1 U          1.896e+03  0.00e+00 -   0    0    0 0
1465   6.695   7.872 1 U          3.772e+05  0.00e+00 m   0  528  524 0
1467   6.695   6.695 1 U          5.737e+06  0.00e+00 m   0  528  528 0
1468   6.695   6.952 1 U          5.754e+05  0.00e+00 m   0  528  531 0
1473   5.281   7.210 1 U          4.810e+04  0.00e+00 m   0  335  135 0
1474   4.589   6.747 1 U          2.089e+05  0.00e+00 m   0  312  352 0
1480   2.121   6.747 1 U          5.773e+04  0.00e+00 m   0  496  352 0
1482   1.358   6.747 1 U          9.402e+04  0.00e+00 m   0  165  352 0
1483   0.850   6.747 1 U          2.095e+05  0.00e+00 m   0   68  352 0
1485   0.493   6.747 1 U          8.372e+04  0.00e+00 r   0  298  352 0
1486   0.493   6.997 1 U          3.043e+05  0.00e+00 r   0  298  353 0
1488   0.782   6.997 1 U          1.073e+05  0.00e+00 m   0  169  353 0
1489   0.802   6.997 1 U          1.027e+05  0.00e+00 m   0  297  353 0
1490   0.850   6.997 1 U          1.819e+05  0.00e+00 m   0   68  353 0
1491   0.570   7.046 1 U          5.823e+04  0.00e+00 r   0   69  346 0
1492   0.782   7.046 1 U          8.959e+04  0.00e+00 m   0  169  346 0
1493   0.802   7.046 1 U          8.050e+04  0.00e+00 m   0  297  346 0
1494   0.850   7.046 1 U          5.675e+04  0.00e+00 m   0   68  346 0
1498   2.034   6.997 1 U          8.765e+04  0.00e+00 m   0  542  353 0
1503   1.358   7.046 1 U          1.760e+05  0.00e+00 m   0  165  346 0
1505   1.358   6.997 1 U          3.170e+05  0.00e+00 m   0  165  353 0
1513   2.427   7.519 1 U          3.344e+04  0.00e+00 m   0    0  602 0
1514   1.397   7.519 1 U          2.584e+04  0.00e+00 m   0  581  602 0
1515   1.626   7.519 1 U          3.016e+04  0.00e+00 m   0  580  602 0
1523   3.594   7.067 1 U          2.277e+04  0.00e+00 m   0  604    0 0
1525   4.037   7.066 1 U          6.273e+04  0.00e+00 m   0  606    0 0
1528   3.658   6.645 1 U          7.668e+04  0.00e+00 m   0  562  139 0
1529   4.297   2.367 1 U          1.032e+04  0.00e+00 m   0   21   27 0
1530   4.297   2.283 1 U          5.102e+04  0.00e+00 m   0   21   28 0
1531   1.094   6.798 1 U          9.321e+04  0.00e+00 m   0  189  201 0
1532   1.498   7.027 1 U          1.330e+05  0.00e+00 m   0  274  282 0
1533   4.257   8.518 1 U          1.285e+06  0.00e+00 m   0  162  185 0
1536   3.095   9.312 1 U          5.982e+04  0.00e+00 m   0  125  145 0
1537   2.776   9.312 1 U          1.290e+05  0.00e+00 m   0  126  145 0
1538   2.912   7.210 1 U          4.124e+05  0.00e+00 m   0  338  135 0
1539   2.616   7.210 1 U          1.138e+05  0.00e+00 m   0  337  135 0
1540   2.776   7.199 1 U          1.936e+05  0.00e+00 m   0  126  135 0
1541   3.095   7.210 1 U          9.621e+04  0.00e+00 m   0  125  135 0
1543   0.898   8.223 1 U          1.003e+05  0.00e+00 m   0  484  479 0
1546   3.816   3.906 1 U          1.013e+06  0.00e+00 m   0   40   39 0
1548   3.365   3.365 1 U          1.036e+07  0.00e+00 m   0   56   56 0
1549   3.402   3.402 1 U          5.462e+06  0.00e+00 m   0   55   55 0
1552   2.070   2.070 1 U          1.132e+07  0.00e+00 m   0   48   48 0
1554   1.813   1.824 1 U          5.111e+07  0.00e+00 m   0   52   52 0
1555   1.724   1.736 1 U          1.870e+07  0.00e+00 m   0   49   49 0
1556   1.618   1.632 1 U          1.326e+07  0.00e+00 m   0   53   53 0
1557   2.070   1.824 1 U          3.036e+05  0.00e+00 m   0   48   52 0
1558   2.070   1.738 1 U          1.300e+06  0.00e+00 m   0   48   49 0
1559   2.070   1.630 1 U          2.088e+05  0.00e+00 m   0   48   53 0
1563   1.813   1.738 1 U          1.401e+06  0.00e+00 m   0   52   49 0
1565   1.724   1.627 1 U          1.062e+05  0.00e+00 m   0   49   53 0
1567   0.952   0.952 1 U          3.708e+07  0.00e+00 m   0  216  216 0
1573   4.489   0.952 1 U          1.441e+05  0.00e+00 m   0  294  216 0
1596   8.255   8.021 1 U          7.347e+05  0.00e+00 m   0  245  259 0
1602   2.621   8.499 1 U          7.046e+04  0.00e+00 m   0  279  266 0
1604   1.466   7.027 1 U          2.302e+05  0.00e+00 m   0  275  282 0
1605   1.498   6.695 1 U          6.014e+04  0.00e+00 m   0  274  528 0
1606   5.786   7.027 1 U          2.470e+04  0.00e+00 m   0  288  282 0
1607   6.167   7.027 1 U         -7.400e+01  0.00e+00 m   0  287  282 0
1608   1.745   7.027 1 U          8.968e+04  0.00e+00 m   0  271  282 0
1609   1.863   7.027 1 U          4.940e+04  0.00e+00 m   0  270  282 0
1611   1.745   6.694 1 U          1.075e+05  0.00e+00 m   0  271  528 0
1613   6.747   8.794 1 U          2.030e+05  0.00e+00 m   0  352  333 0
1628   0.502   0.502 1 U          3.480e+07  0.00e+00 m   0  362  362 0
1629   0.589   0.589 1 U          3.372e+07  0.00e+00 m   0  361  361 0
1630   0.502   0.589 1 U          1.723e+06  0.00e+00 m   0  362  361 0
1631   0.589   0.502 1 U         -2.384e+04  0.00e+00 m   0  361  362 0
1635   6.628   6.628 1 U          9.978e+06  0.00e+00 m   0  383  383 0
1637   4.258   4.258 1 U          2.717e+06  0.00e+00 m   0   46   46 0
1645   4.258   3.402 1 U          6.169e+04  0.00e+00 m   0   46   55 0
1646   4.258   3.365 1 U          6.755e+04  0.00e+00 m   0   46   56 0
1648   3.365   3.402 1 U          8.711e+06  0.00e+00 m   0   56   55 0
1649   3.402   3.365 1 U          3.936e+06  0.00e+00 m   0   55   56 0
1651   2.802   2.802 1 U          7.174e+06  0.00e+00 m   0   93   93 0
1652   3.333   3.333 1 U          5.028e+06  0.00e+00 m   0   94   94 0
1653   2.445   2.445 1 U          4.271e+06  0.00e+00 m   0   86   86 0
1654   1.756   1.767 1 U          4.909e+07  0.00e+00 m   0    0    0 0
1657   3.333   2.802 1 U          7.934e+05  0.00e+00 m   0   94   93 0
1663   1.841   1.841 1 U          2.226e+07  0.00e+00 m   0   87   87 0
1664   1.532   1.532 1 U          8.974e+06  0.00e+00 m   0   91   91 0
1671   1.841   1.532 1 U          2.040e+05  0.00e+00 m   0   87   91 0
1691   3.442   2.445 1 U          1.398e+05  0.00e+00 m   0  110  571 0
1692   3.725   2.445 1 U          9.313e+04  0.00e+00 m   0  109  571 0
1702   3.442   3.442 1 U          2.506e+06  0.00e+00 m   0  110  110 0
1703   2.154   2.154 1 U          7.515e+06  0.00e+00 m   0  102  102 0
1704   1.856   1.856 1 U          1.225e+07  0.00e+00 m   0  107  107 0
1705   1.728   1.728 1 U          1.909e+07  0.00e+00 m   0  103  103 0
1706   1.965   1.965 1 U          6.317e+06  0.00e+00 m   0  106  106 0
1707   4.179   4.179 1 U          4.089e+06  0.00e+00 m   0  100  100 0
1710   3.725   3.725 1 U          5.586e+06  0.00e+00 m   0  109  109 0
1711   2.154   1.965 1 U          7.745e+05  0.00e+00 m   0  102  106 0
1714   2.154   1.856 1 U          4.664e+05  0.00e+00 m   0  102  107 0
1715   1.856   1.728 1 U          2.619e+06  0.00e+00 m   0  107  103 0
1716   1.965   1.728 1 U          4.481e+05  0.00e+00 m   0  106  103 0
1717   2.154   1.728 1 U          1.385e+06  0.00e+00 m   0  102  103 0
1722   1.965   1.856 1 U          1.162e+06  0.00e+00 m   0  106  107 0
1760   4.617   1.841 1 U          1.340e+05  0.00e+00 m   0   84   87 0
1761   4.617   1.739 1 U          7.742e+04  0.00e+00 m   0   84    0 0
1762   1.740   1.740 1 U          3.235e+07  0.00e+00 m   0   90   90 0
1765   1.841   1.740 1 U          2.092e+06  0.00e+00 m   0   87   90 0
1767   1.740   1.532 1 U          5.659e+05  0.00e+00 m   0   90   91 0
1771   2.802   2.445 1 U          5.835e+04  0.00e+00 m   0   93   86 0
1776   2.802   1.841 1 U          1.523e+04  0.00e+00 m   0   93   87 0
1777   3.333   1.841 1 U          8.161e+04  0.00e+00 m   0   94   87 0
1778   2.445   1.740 1 U          1.445e+05  0.00e+00 m   0   86   90 0
1789   7.373   8.652 1 U          1.402e+05  0.00e+00 m   0  121  114 0
1793   6.645   8.246 1 U          6.965e+04  0.00e+00 m   0  139  374 0
1794   6.839   6.839 1 U          1.078e+07  0.00e+00 m   0  134  134 0
1805   2.776   0.850 1 U          1.318e+05  0.00e+00 m   0  126   68 0
1806   6.839  10.437 1 U          1.424e+05  0.00e+00 -   0  134  138 0
1811   7.210   7.298 1 U         -1.338e+05  0.00e+00 m   0  135  141 0
1812   7.298   7.210 1 U          3.086e+04  0.00e+00 m   0  141  135 0
1814   4.489   1.762 1 U          2.666e+05  0.00e+00 m   0  147  150 0
1815   1.762   1.762 1 U          4.486e+07  0.00e+00 m   0  150  150 0
1816   1.762   1.811 1 U          8.219e+06  0.00e+00 m   0  150  149 0
1817   1.811   1.762 1 U          2.141e+06  0.00e+00 m   0  149  150 0
1819   1.762   9.312 1 U          9.235e+04  0.00e+00 m   0  150  145 0
1820   1.762   8.621 1 U          4.326e+04  0.00e+00 m   0  150  160 0
1825   2.004   1.762 1 U          3.846e+05  0.00e+00 m   0  154  150 0
1826   2.004   1.762 1 U          3.846e+05  0.00e+00 m   0  154  150 0
1833   0.708   7.046 1 U          4.587e+04  0.00e+00 m   0  168  346 0
1835   4.257   1.515 1 U          1.533e+05  0.00e+00 m   0  162  172 0
1836   4.257   1.381 1 U          2.182e+05  0.00e+00 m   0  162  173 0
1840   0.850   8.621 1 U          1.874e+05  0.00e+00 m   0   68  160 0
1841   4.257   0.850 1 U          9.664e+04  0.00e+00 m   0  162   68 0
1842   2.669   0.708 1 U          1.042e+05  0.00e+00 m   0  176  168 0
1843   2.669   0.782 1 U          2.745e+05  0.00e+00 m   0  176  169 0
1844   2.657   1.358 1 U          2.632e+05  0.00e+00 m   0    0  165 0
1845   2.669   1.381 1 U          2.156e+05  0.00e+00 m   0  176  173 0
1846   2.669   1.515 1 U          2.314e+05  0.00e+00 m   0  176  172 0
1847   2.669   1.543 1 U          2.168e+05  0.00e+00 m   0  176  164 0
1848   2.669   2.669 1 U          1.738e+07  0.00e+00 m   0  176  176 0
1855   0.708   6.997 1 U          9.216e+04  0.00e+00 m   0  168  353 0
1856   1.381   8.621 1 U          1.121e+05  0.00e+00 m   0  173  160 0
1857   1.515   8.621 1 U          3.058e+05  0.00e+00 m   0  172  160 0
1859   1.515   6.839 1 U          7.027e+04  0.00e+00 m   0  172  134 0
1861   4.257   6.997 1 U          6.149e+04  0.00e+00 m   0  162  353 0
1863   1.515   8.518 1 U          8.180e+04  0.00e+00 m   0  172  185 0
1875   2.669   6.997 1 U          8.768e+04  0.00e+00 m   0  176  353 0
1878   1.381   7.046 1 U          1.628e+05  0.00e+00 m   0  173  346 0
1879   1.381   6.997 1 U          2.370e+05  0.00e+00 m   0  173  353 0
1907   2.669   8.621 1 U          9.940e+03  0.00e+00 m   0  176  160 0
1908   4.907   8.518 1 U          1.774e+05  0.00e+00 m   0    0  185 0
1911   8.255   8.499 1 U          5.501e+04  0.00e+00 m   0  245  266 0
1912   1.094   6.135 1 U          9.484e+04  0.00e+00 m   0  189  329 0
1913   4.229   6.135 1 U          2.523e+04  0.00e+00 m   0  187  329 0
1917   1.078   7.736 1 U          1.655e+05  0.00e+00 m   0  194  211 0
1918   0.909   7.736 1 U          4.591e+04  0.00e+00 m   0  193  211 0
1921   1.094   6.586 1 U          3.642e+04  0.00e+00 m   0  189  330 0
1925   3.736   8.255 1 U          3.939e+04  0.00e+00 m   0  240  245 0
1926   3.808   8.447 1 U          1.347e+05  0.00e+00 m   0  239  235 0
1927   3.736   8.447 1 U          1.797e+05  0.00e+00 m   0  240  235 0
1928   4.753   8.255 1 U          2.615e+05  0.00e+00 m   0  247  245 0
1932   8.499   8.255 1 U          1.947e+05  0.00e+00 m   0  266  245 0
1935   0.802   0.802 1 U          4.283e+07  0.00e+00 m   0  297  297 0
1937   0.802   0.493 1 U          8.413e+05  0.00e+00 m   0  297  298 0
1938   0.493   0.493 1 U          3.090e+07  0.00e+00 m   0  298  298 0
1948   0.803   0.803 1 U          4.325e+07  0.00e+00 m   0  424  424 0
1952   0.803   7.335 1 U          3.183e+05  0.00e+00 m   0  424  419 0
1953   0.803   7.641 1 U          4.720e+04  0.00e+00 m   0  424  432 0
1956   2.775   0.803 1 U          1.158e+05  0.00e+00 m   0  409  424 0
1964   8.378   8.534 1 U          8.694e+04  0.00e+00 m   0  405  388 0
1965   8.535   8.391 1 U          3.895e+05  0.00e+00 m   0  388  405 0
1966   4.036   8.499 1 U          8.506e+04  0.00e+00 m   0  237  266 0
1968   4.036   3.393 1 U          1.369e+06  0.00e+00 m   0  237  261 0
1972   6.135   8.537 1 U          4.729e+04  0.00e+00 m   0  329  310 0
1977  -0.221   6.586 1 U          3.301e+04  0.00e+00 m   0  190  330 0
1984   0.651   0.651 1 U          2.726e+07  0.00e+00 m   0  463  463 0
1985   0.779   0.651 1 U          7.486e+05  0.00e+00 m   0  472  463 0
1989   0.779   0.779 1 U          3.301e+07  0.00e+00 m   0  472  472 0
1994   0.651   0.779 1 U          2.341e+05  0.00e+00 m   0  463  472 0
1995   0.955   0.779 1 U          3.436e+05  0.00e+00 m   0  470  472 0
1996   1.182   0.779 1 U          3.716e+05  0.00e+00 m   0  469  472 0
1997   1.419   0.779 1 U          2.080e+05  0.00e+00 m   0  462  472 0
2010   5.151   4.936 1 U          1.159e+05  0.00e+00 m   0  481  358 0
2012   0.898   0.898 1 U          2.068e+07  0.00e+00 m   0  484  484 0
2014   1.526   6.631 1 U          4.197e+04  0.00e+00 m   0  539  505 0
2015   2.079   7.823 1 U          9.608e+04  0.00e+00 m   0  497  534 0
2016   4.738   8.794 1 U          2.823e+04  0.00e+00 m   0  512  333 0
2018   6.695   7.104 1 U          3.892e+04  0.00e+00 m   0  528  530 0
2019   6.952   7.872 1 U          2.221e+04  0.00e+00 m   0  531  524 0
2025   0.898   0.589 1 U          3.233e+05  0.00e+00 r   0  484  361 0
2026   0.898   0.502 1 U          1.464e+05  0.00e+00 r   0  484  362 0
2030   0.589   6.798 1 U          5.019e+04  0.00e+00 r   0  361  201 0
2031   0.502   6.798 1 U          2.370e+04  0.00e+00 r   0  362  201 0
2034   2.034   7.046 1 U          7.453e+04  0.00e+00 r   0  542  346 0
2035   0.850   7.210 1 U          2.959e+04  0.00e+00 r   0   68  135 0
2036   0.575   7.210 1 U          3.444e+04  0.00e+00 r   0   69  135 0
2037   0.651   7.299 1 U          6.118e+04  0.00e+00 r   0  463  141 0
2039   0.581   6.645 1 U          7.106e+04  0.00e+00 r   0  564  139 0
2040   0.706   6.747 1 U          3.160e+04  0.00e+00 r   0  168  352 0
2041   1.863   6.951 1 U          3.427e+04  0.00e+00 r   0  270  531 0
2042   2.556   6.697 1 U          1.365e+05  0.00e+00 r   0  314  528 0
2043   0.952   8.032 1 U          1.723e+05  0.00e+00 r   0  216  259 0
2047   1.515   6.997 1 U          8.821e+04  0.00e+00 r   0  172  353 0
2048   0.579   6.746 1 U          7.286e+04  0.00e+00 r   0  564  352 0
2049   0.578   6.754 1 U          2.542e+05  0.00e+00 r   0   69  352 0
2050   2.627   8.027 1 U          5.508e+04  0.00e+00 r   0  250  259 0
2051   2.793   8.027 1 U          3.744e+04  0.00e+00 r   0  249  259 0
2053   6.747   7.201 1 U          4.799e+04  0.00e+00 r   0  352  135 0
2054   4.738   2.580 1 U          2.559e+05  0.00e+00 r   0  512  314 0
2055   4.738   2.131 1 U          5.415e+05  0.00e+00 r   0  512  314 0
2056   0.761   6.848 1 U          2.055e+03  0.00e+00 r   0  169  142 0
2057   0.768   6.645 1 U          1.399e+04  0.00e+00 r   0  169  139 0
2058   0.579   6.995 1 U          5.214e+04  0.00e+00 r   0   69  353 0
2060   0.502   6.908 1 U          3.745e+04  0.00e+00 r   0  362  398 0
2061   0.589   6.910 1 U          4.032e+04  0.00e+00 r   0  361  398 0
2062   0.577   7.007 1 U          6.149e+04  0.00e+00 e   0   69  565 0
2065   0.777   6.848 1 U          5.940e+04  0.00e+00 e   0  472  142 0
2066   0.778   6.644 1 U          1.926e+04  0.00e+00 e   0  472  139 0
2067   1.740   6.951 1 U          1.577e+04  0.00e+00 e   0  271  531 0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1   0.203  -6.597  -9.475
    2   2H    GLY   1          2H        GLY   1   1.425  -5.444  -9.276
    3   3H    GLY   1          3H        GLY   1  -0.172  -5.065  -8.865
    4   1HA   GLY   1          1HA       GLY   1   1.118  -5.490  -6.877
    5   2HA   GLY   1          2HA       GLY   1  -0.147  -6.691  -7.086
    6    H    ALA   2           H        ALA   2   0.423  -8.805  -7.778
    7    HA   ALA   2           HA       ALA   2   1.697 -10.692  -7.769
    8   1HB   ALA   2          1HB       ALA   2   3.941 -10.560  -8.709
    9   2HB   ALA   2          2HB       ALA   2   3.920  -8.804  -8.541
   10   3HB   ALA   2          3HB       ALA   2   2.808  -9.597  -9.656
   11    H    MET   3           H        MET   3   4.317 -11.188  -7.000
   12    HA   MET   3           HA       MET   3   4.089 -11.260  -4.197
   13   1HB   MET   3          1HB       MET   3   6.262 -12.253  -4.184
   14   2HB   MET   3          2HB       MET   3   5.425 -12.845  -5.611
   15   1HG   MET   3          1HG       MET   3   7.489 -10.655  -5.556
   16   2HG   MET   3          2HG       MET   3   7.749 -12.315  -6.087
   17   1HE   MET   3          1HE       MET   3   6.853  -8.801  -7.007
   18   2HE   MET   3          2HE       MET   3   5.178  -9.306  -6.789
   19   3HE   MET   3          3HE       MET   3   5.777  -8.908  -8.398
   20    H    GLY   4           H        GLY   4   4.216  -8.564  -5.705
   21   1HA   GLY   4          1HA       GLY   4   6.140  -7.320  -3.843
   22   2HA   GLY   4          2HA       GLY   4   5.997  -6.793  -5.512
   23    HA   PRO   5           HA       PRO   5   3.746  -3.720  -2.725
   24   1HB   PRO   5          1HB       PRO   5   3.978  -2.610  -5.502
   25   2HB   PRO   5          2HB       PRO   5   4.079  -1.771  -3.950
   26   1HG   PRO   5          1HG       PRO   5   6.275  -2.486  -5.363
   27   2HG   PRO   5          2HG       PRO   5   6.255  -2.410  -3.593
   28   1HD   PRO   5          1HD       PRO   5   6.457  -4.746  -5.332
   29   2HD   PRO   5          2HD       PRO   5   6.715  -4.627  -3.582
   30    H    LEU   6           H        LEU   6   1.637  -2.828  -2.984
   31    HA   LEU   6           HA       LEU   6  -0.585  -3.298  -3.151
   32   1HB   LEU   6          1HB       LEU   6  -0.231  -3.326  -6.118
   33   2HB   LEU   6          2HB       LEU   6  -1.490  -2.575  -5.165
   34    HG   LEU   6           HG       LEU   6   0.010  -0.810  -4.480
   35   1HD1  LEU   6          1HD1      LEU   6   2.045  -2.483  -5.883
   36   2HD1  LEU   6          2HD1      LEU   6   2.048  -1.811  -4.247
   37   3HD1  LEU   6          3HD1      LEU   6   2.280  -0.747  -5.639
   38   1HD2  LEU   6          1HD2      LEU   6   0.541   0.159  -6.747
   39   2HD2  LEU   6          2HD2      LEU   6  -1.131  -0.349  -6.526
   40   3HD2  LEU   6          3HD2      LEU   6  -0.018  -1.360  -7.447
   41    HA   PRO   7           HA       PRO   7  -0.092  -7.722  -4.067
   42   1HB   PRO   7          1HB       PRO   7  -0.959  -8.018  -1.308
   43   2HB   PRO   7          2HB       PRO   7   0.486  -8.681  -2.088
   44   1HG   PRO   7          1HG       PRO   7   0.674  -6.687  -0.299
   45   2HG   PRO   7          2HG       PRO   7   1.722  -6.736  -1.731
   46   1HD   PRO   7          1HD       PRO   7  -0.805  -5.162  -1.305
   47   2HD   PRO   7          2HD       PRO   7   0.746  -4.590  -1.953
   48    HA   PRO   8           HA       PRO   8  -4.643  -8.280  -2.820
   49   1HB   PRO   8          1HB       PRO   8  -5.455  -6.257  -0.990
   50   2HB   PRO   8          2HB       PRO   8  -5.148  -7.956  -0.624
   51   1HG   PRO   8          1HG       PRO   8  -3.654  -5.762   0.252
   52   2HG   PRO   8          2HG       PRO   8  -3.156  -7.454   0.315
   53   1HD   PRO   8          1HD       PRO   8  -2.348  -5.350  -1.629
   54   2HD   PRO   8          2HD       PRO   8  -1.471  -6.741  -1.034
   55    H    GLY   9           H        GLY   9  -3.989  -6.739  -4.991
   56   1HA   GLY   9          1HA       GLY   9  -4.764  -5.069  -6.424
   57   2HA   GLY   9          2HA       GLY   9  -6.328  -5.394  -5.671
   58    H    TRP  10           H        TRP  10  -3.265  -3.803  -4.960
   59    HA   TRP  10           HA       TRP  10  -4.692  -1.719  -3.428
   60   1HB   TRP  10          1HB       TRP  10  -2.075  -3.125  -3.096
   61   2HB   TRP  10          2HB       TRP  10  -2.299  -1.543  -2.379
   62    HD1  TRP  10           HD1      TRP  10  -4.458  -4.657  -2.628
   63    HE1  TRP  10           HE1      TRP  10  -5.411  -5.258  -0.314
   64    HE3  TRP  10           HE3      TRP  10  -2.287  -0.963   0.080
   65    HZ2  TRP  10           HZ2      TRP  10  -5.175  -4.333   2.324
   66    HZ3  TRP  10           HZ3      TRP  10  -2.624  -0.947   2.516
   67    HH2  TRP  10           HH2      TRP  10  -4.040  -2.575   3.582
   68    H    GLU  11           H        GLU  11  -4.007   0.427  -3.538
   69    HA   GLU  11           HA       GLU  11  -2.466   1.066  -5.949
   70   1HB   GLU  11          1HB       GLU  11  -4.673   2.179  -5.644
   71   2HB   GLU  11          2HB       GLU  11  -4.058   2.925  -4.175
   72   1HG   GLU  11          1HG       GLU  11  -3.113   3.370  -6.992
   73   2HG   GLU  11          2HG       GLU  11  -3.898   4.517  -5.920
   74    H    LYS  12           H        LYS  12  -0.422   0.767  -5.328
   75    HA   LYS  12           HA       LYS  12   0.577   2.324  -3.036
   76   1HB   LYS  12          1HB       LYS  12   1.461  -0.359  -4.059
   77   2HB   LYS  12          2HB       LYS  12   2.494   0.615  -3.045
   78   1HG   LYS  12          1HG       LYS  12   1.379  -1.045  -1.748
   79   2HG   LYS  12          2HG       LYS  12   0.809   0.547  -1.275
   80   1HD   LYS  12          1HD       LYS  12  -0.914  -0.453  -3.328
   81   2HD   LYS  12          2HD       LYS  12  -0.708  -1.686  -2.086
   82   1HE   LYS  12          1HE       LYS  12  -1.349  -0.226  -0.377
   83   2HE   LYS  12          2HE       LYS  12  -1.302   1.179  -1.438
   84   1HZ   LYS  12          1HZ       LYS  12  -3.553   0.671  -1.216
   85   2HZ   LYS  12          2HZ       LYS  12  -3.306  -0.994  -1.361
   86   3HZ   LYS  12          3HZ       LYS  12  -3.142   0.003  -2.714
   87    H    ARG  13           H        ARG  13   2.593   3.283  -3.251
   88    HA   ARG  13           HA       ARG  13   3.850   3.302  -5.872
   89   1HB   ARG  13          1HB       ARG  13   3.518   5.526  -6.427
   90   2HB   ARG  13          2HB       ARG  13   1.953   5.065  -5.774
   91   1HG   ARG  13          1HG       ARG  13   2.745   6.021  -3.568
   92   2HG   ARG  13          2HG       ARG  13   4.094   6.715  -4.471
   93   1HD   ARG  13          1HD       ARG  13   1.159   7.288  -4.742
   94   2HD   ARG  13          2HD       ARG  13   2.472   8.413  -4.399
   95    HE   ARG  13           HE       ARG  13   3.007   8.457  -6.664
   96   1HH1  ARG  13          1HH1      ARG  13   0.465   6.168  -6.008
   97   2HH1  ARG  13          2HH1      ARG  13   0.001   6.009  -7.670
   98   1HH2  ARG  13          1HH2      ARG  13   2.400   8.256  -8.858
   99   2HH2  ARG  13          2HH2      ARG  13   1.101   7.195  -9.289
  100    H    THR  14           H        THR  14   5.964   4.079  -5.882
  101    HA   THR  14           HA       THR  14   7.090   4.545  -3.201
  102    HB   THR  14           HB       THR  14   8.326   3.078  -5.532
  103    HG1  THR  14           HG1      THR  14   7.585   1.392  -4.506
  104   1HG2  THR  14          1HG2      THR  14  10.266   2.724  -4.092
  105   2HG2  THR  14          2HG2      THR  14   9.530   3.718  -2.835
  106   3HG2  THR  14          3HG2      THR  14  10.006   4.445  -4.371
  107    H    ASP  15           H        ASP  15   7.140   6.765  -3.269
  108    HA   ASP  15           HA       ASP  15   8.503   8.110  -5.463
  109   1HB   ASP  15          1HB       ASP  15   6.556   9.242  -4.618
  110   2HB   ASP  15          2HB       ASP  15   7.120   9.101  -2.955
  111    H    SER  16           H        SER  16  10.489   9.278  -5.166
  112    HA   SER  16           HA       SER  16  12.437   7.969  -3.657
  113   1HB   SER  16          1HB       SER  16  13.865   9.994  -4.007
  114   2HB   SER  16          2HB       SER  16  13.071   9.477  -5.493
  115    HG   SER  16           HG       SER  16  12.800  11.662  -5.359
  116    H    ASN  17           H        ASN  17  10.093  10.231  -2.377
  117    HA   ASN  17           HA       ASN  17  11.434  10.911  -0.048
  118   1HB   ASN  17          1HB       ASN  17   8.894  11.130  -0.310
  119   2HB   ASN  17          2HB       ASN  17   8.782   9.384  -0.101
  120   1HD2  ASN  17          1HD2      ASN  17   7.537   9.544   1.741
  121   2HD2  ASN  17          2HD2      ASN  17   8.178  10.081   3.253
  122    H    GLY  18           H        GLY  18  10.818   8.391  -1.916
  123   1HA   GLY  18          1HA       GLY  18  11.391   6.291  -2.251
  124   2HA   GLY  18          2HA       GLY  18  12.849   6.705  -1.392
  125    H    ARG  19           H        ARG  19   9.479   6.219  -0.799
  126    HA   ARG  19           HA       ARG  19   9.972   4.099   1.176
  127   1HB   ARG  19          1HB       ARG  19   9.420   6.529   2.113
  128   2HB   ARG  19          2HB       ARG  19   7.784   6.033   1.705
  129   1HG   ARG  19          1HG       ARG  19   8.392   5.605   4.057
  130   2HG   ARG  19          2HG       ARG  19   7.891   4.165   3.169
  131   1HD   ARG  19          1HD       ARG  19   9.845   3.710   4.562
  132   2HD   ARG  19          2HD       ARG  19  10.229   3.542   2.850
  133    HE   ARG  19           HE       ARG  19  10.880   6.135   3.525
  134   1HH1  ARG  19          1HH1      ARG  19  11.838   2.935   4.511
  135   2HH1  ARG  19          2HH1      ARG  19  13.447   3.410   4.942
  136   1HH2  ARG  19          1HH2      ARG  19  12.996   6.769   4.086
  137   2HH2  ARG  19          2HH2      ARG  19  14.106   5.589   4.700
  138    H    VAL  20           H        VAL  20   8.212   2.659   1.426
  139    HA   VAL  20           HA       VAL  20   6.492   2.543  -0.946
  140    HB   VAL  20           HB       VAL  20   6.964   0.386   1.109
  141   1HG1  VAL  20          1HG1      VAL  20   4.876   0.169  -0.149
  142   2HG1  VAL  20          2HG1      VAL  20   6.021  -1.106  -0.563
  143   3HG1  VAL  20          3HG1      VAL  20   5.780   0.254  -1.660
  144   1HG2  VAL  20          1HG2      VAL  20   9.054   0.945  -0.007
  145   2HG2  VAL  20          2HG2      VAL  20   8.274   0.779  -1.580
  146   3HG2  VAL  20          3HG2      VAL  20   8.469  -0.631  -0.539
  147    H    TYR  21           H        TYR  21   4.507   3.319  -0.743
  148    HA   TYR  21           HA       TYR  21   3.191   3.117   1.876
  149   1HB   TYR  21          1HB       TYR  21   2.572   5.246   1.794
  150   2HB   TYR  21          2HB       TYR  21   3.788   5.423   0.538
  151    HD1  TYR  21           HD1      TYR  21   0.216   4.331   0.814
  152    HD2  TYR  21           HD2      TYR  21   3.132   6.535  -1.371
  153    HE1  TYR  21           HE1      TYR  21  -1.520   5.067  -0.757
  154    HE2  TYR  21           HE2      TYR  21   1.394   7.276  -2.945
  155    HH   TYR  21           HH       TYR  21  -0.830   6.517  -3.727
  156    H    PHE  22           H        PHE  22   0.908   2.804   1.927
  157    HA   PHE  22           HA       PHE  22  -0.145   1.490  -0.467
  158   1HB   PHE  22          1HB       PHE  22  -0.081   0.466   2.355
  159   2HB   PHE  22          2HB       PHE  22  -1.330  -0.070   1.235
  160    HD1  PHE  22           HD1      PHE  22   2.301   0.600   0.942
  161    HD2  PHE  22           HD2      PHE  22  -0.862  -2.224   0.423
  162    HE1  PHE  22           HE1      PHE  22   3.879  -1.012  -0.013
  163    HE2  PHE  22           HE2      PHE  22   0.717  -3.804  -0.538
  164    HZ   PHE  22           HZ       PHE  22   3.062  -3.192  -0.748
  165    H    VAL  23           H        VAL  23  -1.955   2.383  -1.132
  166    HA   VAL  23           HA       VAL  23  -3.704   3.604   0.888
  167    HB   VAL  23           HB       VAL  23  -2.840   5.216  -0.810
  168   1HG1  VAL  23          1HG1      VAL  23  -2.716   3.780  -2.743
  169   2HG1  VAL  23          2HG1      VAL  23  -3.788   5.135  -3.080
  170   3HG1  VAL  23          3HG1      VAL  23  -4.462   3.547  -2.722
  171   1HG2  VAL  23          1HG2      VAL  23  -5.811   4.712  -0.818
  172   2HG2  VAL  23          2HG2      VAL  23  -5.032   6.218  -1.305
  173   3HG2  VAL  23          3HG2      VAL  23  -4.908   5.660   0.363
  174    H    ASN  24           H        ASN  24  -4.979   1.971   1.425
  175    HA   ASN  24           HA       ASN  24  -6.362   0.489  -0.704
  176   1HB   ASN  24          1HB       ASN  24  -5.203  -0.875   1.023
  177   2HB   ASN  24          2HB       ASN  24  -6.183  -0.105   2.267
  178   1HD2  ASN  24          1HD2      ASN  24  -7.398  -0.960  -0.888
  179   2HD2  ASN  24          2HD2      ASN  24  -8.447  -2.226  -0.357
  180    H    HIS  25           H        HIS  25  -8.447   1.080  -1.123
  181    HA   HIS  25           HA       HIS  25  -9.682   2.722   0.976
  182   1HB   HIS  25          1HB       HIS  25 -10.959   3.790  -0.962
  183   2HB   HIS  25          2HB       HIS  25  -9.256   4.202  -0.783
  184    HD1  HIS  25           HD1      HIS  25  -9.609   4.847  -3.406
  185    HD2  HIS  25           HD2      HIS  25  -9.607   0.804  -2.444
  186    HE1  HIS  25           HE1      HIS  25  -9.194   3.639  -5.572
  187    HE2  HIS  25           HE2      HIS  25  -9.089   1.203  -4.945
  188    H    ASN  26           H        ASN  26 -10.563   0.811   1.827
  189    HA   ASN  26           HA       ASN  26 -12.899  -0.255   0.424
  190   1HB   ASN  26          1HB       ASN  26 -13.122  -1.447   2.775
  191   2HB   ASN  26          2HB       ASN  26 -11.917  -2.015   1.625
  192   1HD2  ASN  26          1HD2      ASN  26 -10.672  -2.883   3.287
  193   2HD2  ASN  26          2HD2      ASN  26  -9.725  -1.886   4.335
  194    H    THR  27           H        THR  27 -12.528   0.531   3.797
  195    HA   THR  27           HA       THR  27 -14.760   2.405   3.717
  196    HB   THR  27           HB       THR  27 -14.984   0.972   5.579
  197    HG1  THR  27           HG1      THR  27 -15.151   3.201   6.167
  198   1HG2  THR  27          1HG2      THR  27 -12.662   0.055   5.436
  199   2HG2  THR  27          2HG2      THR  27 -13.230   0.332   7.083
  200   3HG2  THR  27          3HG2      THR  27 -12.105   1.465   6.337
  201    H    ARG  28           H        ARG  28 -11.796   2.418   5.622
  202    HA   ARG  28           HA       ARG  28 -10.698   4.722   4.269
  203   1HB   ARG  28          1HB       ARG  28 -10.408   5.775   6.681
  204   2HB   ARG  28          2HB       ARG  28 -11.840   6.090   5.713
  205   1HG   ARG  28          1HG       ARG  28 -12.558   5.629   7.923
  206   2HG   ARG  28          2HG       ARG  28 -12.979   4.232   6.932
  207   1HD   ARG  28          1HD       ARG  28 -10.416   4.329   8.486
  208   2HD   ARG  28          2HD       ARG  28 -11.926   3.827   9.244
  209    HE   ARG  28           HE       ARG  28 -11.167   2.449   6.796
  210   1HH1  ARG  28          1HH1      ARG  28 -11.296   2.465  10.275
  211   2HH1  ARG  28          2HH1      ARG  28 -11.084   0.752  10.423
  212   1HH2  ARG  28          1HH2      ARG  28 -10.887   0.189   6.976
  213   2HH2  ARG  28          2HH2      ARG  28 -10.850  -0.543   8.546
  214    H    ILE  29           H        ILE  29  -8.907   3.321   3.774
  215    HA   ILE  29           HA       ILE  29  -7.296   2.616   6.151
  216    HB   ILE  29           HB       ILE  29  -7.576   1.022   3.606
  217   1HG1  ILE  29          1HG1      ILE  29  -9.462   0.759   5.143
  218   2HG1  ILE  29          2HG1      ILE  29  -8.491  -0.710   5.102
  219   1HG2  ILE  29          1HG2      ILE  29  -6.057  -0.585   4.662
  220   2HG2  ILE  29          2HG2      ILE  29  -5.829   0.525   6.013
  221   3HG2  ILE  29          3HG2      ILE  29  -5.279   0.975   4.399
  222   1HD1  ILE  29          1HD1      ILE  29  -8.492   1.393   7.251
  223   2HD1  ILE  29          2HD1      ILE  29  -7.398   0.010   7.198
  224   3HD1  ILE  29          3HD1      ILE  29  -9.136  -0.245   7.360
  225    H    TPO  30           H        TPO  30  -5.299   3.412   6.227
  226    HA   TPO  30           HA       TPO  30  -3.826   3.950   3.773
  227    HB   TPO  30           HB       TPO  30  -3.213   6.240   4.493
  228   1HG2  TPO  30          1HG2      TPO  30  -5.317   7.311   3.844
  229   2HG2  TPO  30          2HG2      TPO  30  -6.178   5.796   4.123
  230   3HG2  TPO  30          3HG2      TPO  30  -4.980   5.906   2.833
  231    H    GLN  31           H        GLN  31  -2.105   2.707   4.159
  232    HA   GLN  31           HA       GLN  31  -0.333   3.373   6.377
  233   1HB   GLN  31          1HB       GLN  31  -0.029   0.744   6.579
  234   2HB   GLN  31          2HB       GLN  31  -1.222   1.597   7.529
  235   1HG   GLN  31          1HG       GLN  31  -2.577  -0.022   6.766
  236   2HG   GLN  31          2HG       GLN  31  -2.701   1.046   5.370
  237   1HE2  GLN  31          1HE2      GLN  31   0.109   0.433   4.623
  238   2HE2  GLN  31          2HE2      GLN  31   0.048  -1.124   3.881
  239    H    TRP  32           H        TRP  32   1.905   2.834   5.894
  240    HA   TRP  32           HA       TRP  32   2.259   2.224   3.045
  241   1HB   TRP  32          1HB       TRP  32   4.379   2.978   5.047
  242   2HB   TRP  32          2HB       TRP  32   4.463   3.091   3.293
  243    HD1  TRP  32           HD1      TRP  32   1.713   4.484   5.655
  244    HE1  TRP  32           HE1      TRP  32   1.499   7.009   5.195
  245    HE3  TRP  32           HE3      TRP  32   5.484   4.998   2.260
  246    HZ2  TRP  32           HZ2      TRP  32   2.778   8.964   3.598
  247    HZ3  TRP  32           HZ3      TRP  32   5.920   7.209   1.311
  248    HH2  TRP  32           HH2      TRP  32   4.603   9.160   1.962
  249    H    GLU  33           H        GLU  33   1.585  -0.064   3.530
  250    HA   GLU  33           HA       GLU  33   3.993  -1.641   3.702
  251   1HB   GLU  33          1HB       GLU  33   3.473  -1.630   6.040
  252   2HB   GLU  33          2HB       GLU  33   1.797  -2.075   5.714
  253   1HG   GLU  33          1HG       GLU  33   3.072  -4.069   4.430
  254   2HG   GLU  33          2HG       GLU  33   4.228  -3.735   5.729
  255    H    ASP  34           H        ASP  34   3.846  -3.745   2.852
  256    HA   ASP  34           HA       ASP  34   1.741  -4.267   1.004
  257   1HB   ASP  34          1HB       ASP  34   4.016  -5.252   0.770
  258   2HB   ASP  34          2HB       ASP  34   3.763  -6.168   2.251
  259    HA   PRO  35           HA       PRO  35  -0.922  -5.694   4.315
  260   1HB   PRO  35          1HB       PRO  35  -3.064  -6.166   2.471
  261   2HB   PRO  35          2HB       PRO  35  -2.786  -4.740   3.473
  262   1HG   PRO  35          1HG       PRO  35  -2.649  -4.667   0.766
  263   2HG   PRO  35          2HG       PRO  35  -1.672  -3.615   1.798
  264   1HD   PRO  35          1HD       PRO  35  -0.893  -6.289   0.633
  265   2HD   PRO  35          2HD       PRO  35  -0.046  -4.744   0.442
  266    H    ARG  36           H        ARG  36   0.453  -7.683   2.141
  267    HA   ARG  36           HA       ARG  36  -0.017  -9.895   1.430
  268   1HB   ARG  36          1HB       ARG  36   0.875 -11.332   3.249
  269   2HB   ARG  36          2HB       ARG  36   1.866  -9.919   2.917
  270   1HG   ARG  36          1HG       ARG  36  -0.154  -9.972   5.137
  271   2HG   ARG  36          2HG       ARG  36   1.502 -10.541   5.347
  272   1HD   ARG  36          1HD       ARG  36   2.304  -8.318   4.593
  273   2HD   ARG  36          2HD       ARG  36   0.627  -7.771   4.536
  274    HE   ARG  36           HE       ARG  36   0.810  -7.391   6.769
  275   1HH1  ARG  36          1HH1      ARG  36   2.934 -10.020   5.934
  276   2HH1  ARG  36          2HH1      ARG  36   3.505 -10.247   7.553
  277   1HH2  ARG  36          1HH2      ARG  36   1.552  -7.684   8.911
  278   2HH2  ARG  36          2HH2      ARG  36   2.718  -8.919   9.245
  279    H    SER  37           H        SER  37  -0.856 -10.744   4.667
  280    HA   SER  37           HA       SER  37  -3.130 -12.195   3.890
  281   1HB   SER  37          1HB       SER  37  -2.371 -11.204   6.650
  282   2HB   SER  37          2HB       SER  37  -3.550 -12.468   6.299
  283    HG   SER  37           HG       SER  37  -0.803 -12.562   5.587
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1   3.633  -8.861 -14.001
    2   2H    GLY   1          2H        GLY   1   4.106 -10.149 -14.992
    3   3H    GLY   1          3H        GLY   1   4.768  -9.985 -13.444
    4   1HA   GLY   1          1HA       GLY   1   1.924 -10.572 -14.067
    5   2HA   GLY   1          2HA       GLY   1   3.104 -11.735 -13.480
    6    H    ALA   2           H        ALA   2   3.224  -8.495 -12.278
    7    HA   ALA   2           HA       ALA   2   2.592  -7.539 -10.298
    8   1HB   ALA   2          1HB       ALA   2   0.393  -8.556 -10.609
    9   2HB   ALA   2          2HB       ALA   2   0.872  -8.569  -8.911
   10   3HB   ALA   2          3HB       ALA   2   0.974 -10.048  -9.867
   11    H    MET   3           H        MET   3   4.523  -7.464  -9.296
   12    HA   MET   3           HA       MET   3   5.035  -9.408  -7.220
   13   1HB   MET   3          1HB       MET   3   7.295  -9.942  -7.906
   14   2HB   MET   3          2HB       MET   3   6.176 -10.387  -9.186
   15   1HG   MET   3          1HG       MET   3   7.887  -7.913  -9.119
   16   2HG   MET   3          2HG       MET   3   8.191  -9.361 -10.075
   17   1HE   MET   3          1HE       MET   3   5.312  -5.952 -10.985
   18   2HE   MET   3          2HE       MET   3   6.903  -5.857 -10.231
   19   3HE   MET   3          3HE       MET   3   5.550  -6.561  -9.347
   20    H    GLY   4           H        GLY   4   5.175  -8.063  -5.542
   21   1HA   GLY   4          1HA       GLY   4   7.002  -6.588  -4.523
   22   2HA   GLY   4          2HA       GLY   4   6.667  -5.549  -5.896
   23    HA   PRO   5           HA       PRO   5   4.518  -3.487  -2.336
   24   1HB   PRO   5          1HB       PRO   5   3.910  -2.040  -4.896
   25   2HB   PRO   5          2HB       PRO   5   4.234  -1.382  -3.289
   26   1HG   PRO   5          1HG       PRO   5   6.128  -1.539  -5.251
   27   2HG   PRO   5          2HG       PRO   5   6.505  -1.575  -3.521
   28   1HD   PRO   5          1HD       PRO   5   6.791  -3.700  -5.474
   29   2HD   PRO   5          2HD       PRO   5   7.279  -3.696  -3.772
   30    H    LEU   6           H        LEU   6   2.602  -3.995  -1.664
   31    HA   LEU   6           HA       LEU   6   0.527  -4.799  -1.473
   32   1HB   LEU   6          1HB       LEU   6  -1.071  -4.268  -3.341
   33   2HB   LEU   6          2HB       LEU   6  -0.429  -2.949  -2.385
   34    HG   LEU   6           HG       LEU   6   1.237  -2.622  -4.282
   35   1HD1  LEU   6          1HD1      LEU   6   0.465  -3.467  -6.478
   36   2HD1  LEU   6          2HD1      LEU   6  -0.796  -4.377  -5.642
   37   3HD1  LEU   6          3HD1      LEU   6   0.902  -4.781  -5.386
   38   1HD2  LEU   6          1HD2      LEU   6  -0.279  -0.937  -4.318
   39   2HD2  LEU   6          2HD2      LEU   6  -1.652  -2.032  -4.344
   40   3HD2  LEU   6          3HD2      LEU   6  -0.735  -1.736  -5.817
   41    HA   PRO   7           HA       PRO   7   0.597  -8.717  -3.523
   42   1HB   PRO   7          1HB       PRO   7  -1.206  -9.253  -1.275
   43   2HB   PRO   7          2HB       PRO   7   0.247 -10.163  -1.763
   44   1HG   PRO   7          1HG       PRO   7   0.321  -8.638   0.405
   45   2HG   PRO   7          2HG       PRO   7   1.688  -8.607  -0.732
   46   1HD   PRO   7          1HD       PRO   7  -0.605  -6.678  -0.500
   47   2HD   PRO   7          2HD       PRO   7   1.118  -6.320  -0.614
   48    HA   PRO   8           HA       PRO   8  -4.215  -8.672  -3.647
   49   1HB   PRO   8          1HB       PRO   8  -5.145  -6.604  -1.888
   50   2HB   PRO   8          2HB       PRO   8  -5.283  -8.353  -1.666
   51   1HG   PRO   8          1HG       PRO   8  -3.754  -6.660  -0.109
   52   2HG   PRO   8          2HG       PRO   8  -3.496  -8.404  -0.258
   53   1HD   PRO   8          1HD       PRO   8  -2.039  -6.175  -1.643
   54   2HD   PRO   8          2HD       PRO   8  -1.430  -7.665  -0.961
   55    H    GLY   9           H        GLY   9  -6.128  -7.007  -4.094
   56   1HA   GLY   9          1HA       GLY   9  -5.248  -5.228  -6.146
   57   2HA   GLY   9          2HA       GLY   9  -6.892  -5.350  -5.518
   58    H    TRP  10           H        TRP  10  -3.823  -3.778  -5.227
   59    HA   TRP  10           HA       TRP  10  -4.998  -1.781  -3.393
   60   1HB   TRP  10          1HB       TRP  10  -2.294  -3.051  -3.276
   61   2HB   TRP  10          2HB       TRP  10  -2.734  -1.667  -2.341
   62    HD1  TRP  10           HD1      TRP  10  -4.103  -5.230  -2.831
   63    HE1  TRP  10           HE1      TRP  10  -5.015  -6.048  -0.573
   64    HE3  TRP  10           HE3      TRP  10  -2.840  -1.225  -0.005
   65    HZ2  TRP  10           HZ2      TRP  10  -5.064  -5.154   2.091
   66    HZ3  TRP  10           HZ3      TRP  10  -3.248  -1.340   2.425
   67    HH2  TRP  10           HH2      TRP  10  -4.326  -3.235   3.425
   68    H    GLU  11           H        GLU  11  -4.182   0.318  -3.516
   69    HA   GLU  11           HA       GLU  11  -2.654   0.897  -5.950
   70   1HB   GLU  11          1HB       GLU  11  -4.795   2.145  -5.538
   71   2HB   GLU  11          2HB       GLU  11  -4.050   2.847  -4.105
   72   1HG   GLU  11          1HG       GLU  11  -3.568   3.416  -6.967
   73   2HG   GLU  11          2HG       GLU  11  -3.616   4.494  -5.582
   74    H    LYS  12           H        LYS  12  -0.625   0.324  -5.233
   75    HA   LYS  12           HA       LYS  12   0.454   1.815  -2.933
   76   1HB   LYS  12          1HB       LYS  12   1.176  -0.886  -4.044
   77   2HB   LYS  12          2HB       LYS  12   2.318   0.009  -3.060
   78   1HG   LYS  12          1HG       LYS  12   1.094  -1.610  -1.754
   79   2HG   LYS  12          2HG       LYS  12   0.754   0.021  -1.200
   80   1HD   LYS  12          1HD       LYS  12  -1.170  -0.730  -3.189
   81   2HD   LYS  12          2HD       LYS  12  -1.076  -1.966  -1.940
   82   1HE   LYS  12          1HE       LYS  12  -1.498  -0.421  -0.239
   83   2HE   LYS  12          2HE       LYS  12  -1.307   0.954  -1.324
   84   1HZ   LYS  12          1HZ       LYS  12  -3.301   0.182  -2.518
   85   2HZ   LYS  12          2HZ       LYS  12  -3.627   0.576  -0.908
   86   3HZ   LYS  12          3HZ       LYS  12  -3.504  -1.045  -1.372
   87    H    ARG  13           H        ARG  13   2.518   2.716  -3.100
   88    HA   ARG  13           HA       ARG  13   3.677   2.912  -5.767
   89   1HB   ARG  13          1HB       ARG  13   2.131   4.701  -5.901
   90   2HB   ARG  13          2HB       ARG  13   2.516   5.254  -4.279
   91   1HG   ARG  13          1HG       ARG  13   4.759   5.891  -5.044
   92   2HG   ARG  13          2HG       ARG  13   4.332   5.375  -6.677
   93   1HD   ARG  13          1HD       ARG  13   3.062   7.593  -5.079
   94   2HD   ARG  13          2HD       ARG  13   4.076   7.764  -6.512
   95    HE   ARG  13           HE       ARG  13   1.812   6.161  -7.078
   96   1HH1  ARG  13          1HH1      ARG  13   2.777   9.462  -6.534
   97   2HH1  ARG  13          2HH1      ARG  13   1.488  10.130  -7.478
   98   1HH2  ARG  13          1HH2      ARG  13   0.109   7.030  -8.322
   99   2HH2  ARG  13          2HH2      ARG  13  -0.029   8.749  -8.494
  100    H    THR  14           H        THR  14   5.782   3.676  -5.847
  101    HA   THR  14           HA       THR  14   7.130   3.970  -3.246
  102    HB   THR  14           HB       THR  14   9.079   2.807  -4.150
  103    HG1  THR  14           HG1      THR  14   7.458   2.286  -6.439
  104   1HG2  THR  14          1HG2      THR  14   8.149   0.544  -4.258
  105   2HG2  THR  14          2HG2      THR  14   6.537   1.214  -4.502
  106   3HG2  THR  14          3HG2      THR  14   7.383   1.486  -2.979
  107    H    ASP  15           H        ASP  15   7.125   6.213  -3.392
  108    HA   ASP  15           HA       ASP  15   8.612   7.419  -5.620
  109   1HB   ASP  15          1HB       ASP  15   6.407   8.391  -5.187
  110   2HB   ASP  15          2HB       ASP  15   6.848   8.684  -3.506
  111    H    SER  16           H        SER  16  10.355   8.879  -5.174
  112    HA   SER  16           HA       SER  16  12.182   8.035  -3.236
  113   1HB   SER  16          1HB       SER  16  12.622   9.570  -5.270
  114   2HB   SER  16          2HB       SER  16  12.072  10.901  -4.256
  115    HG   SER  16           HG       SER  16  14.094   9.141  -3.380
  116    H    ASN  17           H        ASN  17   9.390  10.059  -2.676
  117    HA   ASN  17           HA       ASN  17  10.178  11.205  -0.282
  118   1HB   ASN  17          1HB       ASN  17   7.773   9.364  -0.736
  119   2HB   ASN  17          2HB       ASN  17   8.016  10.301   0.736
  120   1HD2  ASN  17          1HD2      ASN  17   7.201  10.410  -2.633
  121   2HD2  ASN  17          2HD2      ASN  17   6.601  12.031  -2.646
  122    H    GLY  18           H        GLY  18  10.251   8.412  -1.840
  123   1HA   GLY  18          1HA       GLY  18  11.138   6.392  -1.756
  124   2HA   GLY  18          2HA       GLY  18  12.365   7.146  -0.774
  125    H    ARG  19           H        ARG  19   9.032   6.256  -0.569
  126    HA   ARG  19           HA       ARG  19   9.488   4.486   1.735
  127   1HB   ARG  19          1HB       ARG  19   8.334   7.031   1.961
  128   2HB   ARG  19          2HB       ARG  19   6.979   5.910   1.977
  129   1HG   ARG  19          1HG       ARG  19   7.780   6.434   4.225
  130   2HG   ARG  19          2HG       ARG  19   7.936   4.719   3.842
  131   1HD   ARG  19          1HD       ARG  19  10.287   4.951   3.457
  132   2HD   ARG  19          2HD       ARG  19  10.183   6.708   3.566
  133    HE   ARG  19           HE       ARG  19   9.495   5.073   5.902
  134   1HH1  ARG  19          1HH1      ARG  19  11.585   7.374   4.333
  135   2HH1  ARG  19          2HH1      ARG  19  12.382   7.846   5.797
  136   1HH2  ARG  19          1HH2      ARG  19  10.534   5.689   7.837
  137   2HH2  ARG  19          2HH2      ARG  19  11.784   6.888   7.790
  138    H    VAL  20           H        VAL  20   7.986   2.796   1.907
  139    HA   VAL  20           HA       VAL  20   6.470   2.276  -0.546
  140    HB   VAL  20           HB       VAL  20   6.264  -0.043   0.330
  141   1HG1  VAL  20          1HG1      VAL  20   8.081   0.543  -1.185
  142   2HG1  VAL  20          2HG1      VAL  20   8.606  -0.669  -0.015
  143   3HG1  VAL  20          3HG1      VAL  20   9.086   1.017   0.186
  144   1HG2  VAL  20          1HG2      VAL  20   6.387   0.457   2.713
  145   2HG2  VAL  20          2HG2      VAL  20   8.063   0.970   2.531
  146   3HG2  VAL  20          3HG2      VAL  20   7.623  -0.715   2.257
  147    H    TYR  21           H        TYR  21   4.573   3.385  -0.331
  148    HA   TYR  21           HA       TYR  21   3.050   2.956   2.143
  149   1HB   TYR  21          1HB       TYR  21   2.293   5.073   2.040
  150   2HB   TYR  21          2HB       TYR  21   3.754   5.302   1.100
  151    HD1  TYR  21           HD1      TYR  21   3.664   5.492  -1.348
  152    HD2  TYR  21           HD2      TYR  21   0.115   5.295   1.006
  153    HE1  TYR  21           HE1      TYR  21   2.365   6.361  -3.243
  154    HE2  TYR  21           HE2      TYR  21  -1.185   6.162  -0.895
  155    HH   TYR  21           HH       TYR  21   0.056   6.358  -4.051
  156    H    PHE  22           H        PHE  22   0.813   2.586   2.079
  157    HA   PHE  22           HA       PHE  22  -0.149   1.381  -0.423
  158   1HB   PHE  22          1HB       PHE  22  -0.301   0.362   2.400
  159   2HB   PHE  22          2HB       PHE  22  -1.516  -0.111   1.222
  160    HD1  PHE  22           HD1      PHE  22   2.183   0.286   1.167
  161    HD2  PHE  22           HD2      PHE  22  -1.154  -2.274   0.400
  162    HE1  PHE  22           HE1      PHE  22   3.695  -1.466   0.387
  163    HE2  PHE  22           HE2      PHE  22   0.371  -4.004  -0.370
  164    HZ   PHE  22           HZ       PHE  22   2.773  -3.594  -0.370
  165    H    VAL  23           H        VAL  23  -2.043   2.127  -1.144
  166    HA   VAL  23           HA       VAL  23  -3.804   3.452   0.794
  167    HB   VAL  23           HB       VAL  23  -4.576   4.814  -1.311
  168   1HG1  VAL  23          1HG1      VAL  23  -3.714   5.781   0.742
  169   2HG1  VAL  23          2HG1      VAL  23  -3.035   6.608  -0.660
  170   3HG1  VAL  23          3HG1      VAL  23  -2.061   5.437   0.231
  171   1HG2  VAL  23          1HG2      VAL  23  -2.676   5.416  -2.759
  172   2HG2  VAL  23          2HG2      VAL  23  -3.147   3.725  -2.929
  173   3HG2  VAL  23          3HG2      VAL  23  -1.715   4.152  -1.992
  174    H    ASN  24           H        ASN  24  -5.138   1.784   1.090
  175    HA   ASN  24           HA       ASN  24  -6.602   0.777  -1.256
  176   1HB   ASN  24          1HB       ASN  24  -5.652  -0.497   1.214
  177   2HB   ASN  24          2HB       ASN  24  -7.346  -0.831   0.860
  178   1HD2  ASN  24          1HD2      ASN  24  -7.018  -2.968   0.371
  179   2HD2  ASN  24          2HD2      ASN  24  -6.184  -3.490  -1.048
  180    H    HIS  25           H        HIS  25  -8.815   1.112  -1.346
  181    HA   HIS  25           HA       HIS  25  -9.852   2.615   0.951
  182   1HB   HIS  25          1HB       HIS  25 -10.520   3.020  -1.964
  183   2HB   HIS  25          2HB       HIS  25 -11.283   3.868  -0.623
  184    HD1  HIS  25           HD1      HIS  25 -10.256   6.039  -0.032
  185    HD2  HIS  25           HD2      HIS  25  -7.595   3.566  -2.048
  186    HE1  HIS  25           HE1      HIS  25  -8.190   7.426  -0.391
  187    HE2  HIS  25           HE2      HIS  25  -6.634   5.941  -1.702
  188    H    ASN  26           H        ASN  26 -10.574   0.638   1.791
  189    HA   ASN  26           HA       ASN  26 -12.975  -0.485   0.560
  190   1HB   ASN  26          1HB       ASN  26 -11.482  -1.170   3.122
  191   2HB   ASN  26          2HB       ASN  26 -12.969  -1.967   2.613
  192   1HD2  ASN  26          1HD2      ASN  26 -10.246  -3.003   3.045
  193   2HD2  ASN  26          2HD2      ASN  26  -9.807  -3.777   1.564
  194    H    THR  27           H        THR  27 -12.329   0.228   3.923
  195    HA   THR  27           HA       THR  27 -14.651   1.982   4.081
  196    HB   THR  27           HB       THR  27 -14.611   0.492   5.925
  197    HG1  THR  27           HG1      THR  27 -13.363   2.901   6.801
  198   1HG2  THR  27          1HG2      THR  27 -12.201  -0.183   5.549
  199   2HG2  THR  27          2HG2      THR  27 -12.718  -0.083   7.231
  200   3HG2  THR  27          3HG2      THR  27 -11.749   1.211   6.530
  201    H    ARG  28           H        ARG  28 -11.562   2.143   5.752
  202    HA   ARG  28           HA       ARG  28 -10.655   4.479   4.312
  203   1HB   ARG  28          1HB       ARG  28 -10.365   5.817   6.384
  204   2HB   ARG  28          2HB       ARG  28 -12.054   5.534   5.988
  205   1HG   ARG  28          1HG       ARG  28 -12.169   3.771   7.661
  206   2HG   ARG  28          2HG       ARG  28 -10.462   4.011   8.041
  207   1HD   ARG  28          1HD       ARG  28 -12.654   6.058   8.366
  208   2HD   ARG  28          2HD       ARG  28 -11.909   5.128   9.666
  209    HE   ARG  28           HE       ARG  28  -9.820   6.387   8.438
  210   1HH1  ARG  28          1HH1      ARG  28 -12.810   7.424   9.893
  211   2HH1  ARG  28          2HH1      ARG  28 -12.180   8.955  10.403
  212   1HH2  ARG  28          1HH2      ARG  28  -8.982   8.399   9.106
  213   2HH2  ARG  28          2HH2      ARG  28 -10.003   9.509   9.956
  214    H    ILE  29           H        ILE  29  -8.815   3.129   3.721
  215    HA   ILE  29           HA       ILE  29  -7.064   2.568   6.034
  216    HB   ILE  29           HB       ILE  29  -7.419   0.784   3.630
  217   1HG1  ILE  29          1HG1      ILE  29  -9.309   0.627   5.160
  218   2HG1  ILE  29          2HG1      ILE  29  -8.322  -0.828   5.276
  219   1HG2  ILE  29          1HG2      ILE  29  -5.905  -0.741   4.799
  220   2HG2  ILE  29          2HG2      ILE  29  -5.679   0.459   6.070
  221   3HG2  ILE  29          3HG2      ILE  29  -5.121   0.795   4.433
  222   1HD1  ILE  29          1HD1      ILE  29  -8.297   1.484   7.201
  223   2HD1  ILE  29          2HD1      ILE  29  -7.300   0.034   7.318
  224   3HD1  ILE  29          3HD1      ILE  29  -9.053  -0.087   7.464
  225    H    TPO  30           H        TPO  30  -5.113   3.438   5.935
  226    HA   TPO  30           HA       TPO  30  -3.712   3.663   3.401
  227    HB   TPO  30           HB       TPO  30  -3.905   6.147   5.087
  228   1HG2  TPO  30          1HG2      TPO  30  -2.012   5.986   3.557
  229   2HG2  TPO  30          2HG2      TPO  30  -3.146   7.226   3.017
  230   3HG2  TPO  30          3HG2      TPO  30  -3.110   5.653   2.217
  231    H    GLN  31           H        GLN  31  -2.252   2.188   4.261
  232    HA   GLN  31           HA       GLN  31  -0.417   3.274   6.302
  233   1HB   GLN  31          1HB       GLN  31  -0.111   0.597   6.625
  234   2HB   GLN  31          2HB       GLN  31  -1.157   1.582   7.622
  235   1HG   GLN  31          1HG       GLN  31  -2.315  -0.413   6.916
  236   2HG   GLN  31          2HG       GLN  31  -3.060   1.009   6.187
  237   1HE2  GLN  31          1HE2      GLN  31  -0.029  -0.323   5.106
  238   2HE2  GLN  31          2HE2      GLN  31  -0.602  -0.915   3.587
  239    H    TRP  32           H        TRP  32   1.846   2.721   5.938
  240    HA   TRP  32           HA       TRP  32   2.297   1.990   3.141
  241   1HB   TRP  32          1HB       TRP  32   4.495   2.565   5.087
  242   2HB   TRP  32          2HB       TRP  32   4.392   2.958   3.374
  243    HD1  TRP  32           HD1      TRP  32   2.033   4.001   6.298
  244    HE1  TRP  32           HE1      TRP  32   1.807   6.564   6.231
  245    HE3  TRP  32           HE3      TRP  32   5.230   4.977   2.455
  246    HZ2  TRP  32           HZ2      TRP  32   2.859   8.721   4.734
  247    HZ3  TRP  32           HZ3      TRP  32   5.559   7.295   1.759
  248    HH2  TRP  32           HH2      TRP  32   4.409   9.141   2.872
  249    H    GLU  33           H        GLU  33   1.531  -0.257   3.627
  250    HA   GLU  33           HA       GLU  33   3.848  -1.931   4.014
  251   1HB   GLU  33          1HB       GLU  33   3.167  -1.804   6.306
  252   2HB   GLU  33          2HB       GLU  33   1.499  -2.186   5.878
  253   1HG   GLU  33          1HG       GLU  33   2.638  -4.313   4.801
  254   2HG   GLU  33          2HG       GLU  33   3.877  -3.955   6.014
  255    H    ASP  34           H        ASP  34   3.654  -4.064   3.214
  256    HA   ASP  34           HA       ASP  34   1.580  -4.514   1.288
  257   1HB   ASP  34          1HB       ASP  34   2.538  -6.769   1.068
  258   2HB   ASP  34          2HB       ASP  34   3.833  -5.577   1.088
  259    HA   PRO  35           HA       PRO  35  -1.211  -5.914   4.473
  260   1HB   PRO  35          1HB       PRO  35  -3.201  -6.570   2.522
  261   2HB   PRO  35          2HB       PRO  35  -3.030  -5.074   3.445
  262   1HG   PRO  35          1HG       PRO  35  -2.699  -5.156   0.755
  263   2HG   PRO  35          2HG       PRO  35  -1.802  -4.032   1.787
  264   1HD   PRO  35          1HD       PRO  35  -0.947  -6.774   0.868
  265   2HD   PRO  35          2HD       PRO  35  -0.102  -5.238   0.596
  266    H    ARG  36           H        ARG  36   0.653  -7.959   3.651
  267    HA   ARG  36           HA       ARG  36  -0.135 -10.321   2.688
  268   1HB   ARG  36          1HB       ARG  36   1.317 -11.442   4.300
  269   2HB   ARG  36          2HB       ARG  36   2.054  -9.954   3.726
  270   1HG   ARG  36          1HG       ARG  36   2.469 -10.014   6.032
  271   2HG   ARG  36          2HG       ARG  36   1.148  -8.861   5.825
  272   1HD   ARG  36          1HD       ARG  36  -0.464 -10.556   6.470
  273   2HD   ARG  36          2HD       ARG  36   0.818 -11.758   6.596
  274    HE   ARG  36           HE       ARG  36   1.040  -9.399   8.288
  275   1HH1  ARG  36          1HH1      ARG  36   0.194 -12.761   7.974
  276   2HH1  ARG  36          2HH1      ARG  36   0.264 -13.074   9.675
  277   1HH2  ARG  36          1HH2      ARG  36   1.136  -9.798  10.533
  278   2HH2  ARG  36          2HH2      ARG  36   0.799 -11.388  11.132
  279    H    SER  37           H        SER  37  -1.515  -8.783   5.435
  280    HA   SER  37           HA       SER  37  -3.449 -10.955   5.666
  281   1HB   SER  37          1HB       SER  37  -3.306 -10.954   8.131
  282   2HB   SER  37          2HB       SER  37  -1.787 -11.459   7.394
  283    HG   SER  37           HG       SER  37  -1.087  -9.985   8.772
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1   1.096  -8.266 -10.057
    2   2H    GLY   1          2H        GLY   1   2.122  -8.018 -11.379
    3   3H    GLY   1          3H        GLY   1   2.727  -7.893  -9.804
    4   1HA   GLY   1          1HA       GLY   1   1.704 -10.370 -11.084
    5   2HA   GLY   1          2HA       GLY   1   3.397  -9.983 -10.813
    6    H    ALA   2           H        ALA   2   1.561  -8.795  -8.292
    7    HA   ALA   2           HA       ALA   2   1.243  -9.418  -6.126
    8   1HB   ALA   2          1HB       ALA   2  -0.148 -11.186  -7.088
    9   2HB   ALA   2          2HB       ALA   2   0.695 -11.745  -5.643
   10   3HB   ALA   2          3HB       ALA   2   1.271 -12.222  -7.240
   11    H    MET   3           H        MET   3   3.991  -9.783  -7.736
   12    HA   MET   3           HA       MET   3   5.456 -11.209  -5.641
   13   1HB   MET   3          1HB       MET   3   7.300 -11.301  -7.167
   14   2HB   MET   3          2HB       MET   3   5.851 -11.760  -8.049
   15   1HG   MET   3          1HG       MET   3   7.255  -9.102  -8.153
   16   2HG   MET   3          2HG       MET   3   7.226 -10.334  -9.411
   17   1HE   MET   3          1HE       MET   3   3.934  -7.329  -8.368
   18   2HE   MET   3          2HE       MET   3   5.654  -7.199  -8.003
   19   3HE   MET   3          3HE       MET   3   4.650  -8.345  -7.118
   20    H    GLY   4           H        GLY   4   4.314  -8.584  -5.150
   21   1HA   GLY   4          1HA       GLY   4   6.374  -7.365  -3.748
   22   2HA   GLY   4          2HA       GLY   4   6.321  -6.584  -5.319
   23    HA   PRO   5           HA       PRO   5   3.902  -3.813  -2.444
   24   1HB   PRO   5          1HB       PRO   5   3.905  -2.642  -5.205
   25   2HB   PRO   5          2HB       PRO   5   4.072  -1.834  -3.643
   26   1HG   PRO   5          1HG       PRO   5   6.187  -2.457  -5.265
   27   2HG   PRO   5          2HG       PRO   5   6.308  -2.277  -3.508
   28   1HD   PRO   5          1HD       PRO   5   6.621  -4.674  -5.098
   29   2HD   PRO   5          2HD       PRO   5   6.837  -4.472  -3.351
   30    H    LEU   6           H        LEU   6   1.734  -3.095  -2.576
   31    HA   LEU   6           HA       LEU   6  -0.459  -3.623  -2.684
   32   1HB   LEU   6          1HB       LEU   6  -0.212  -3.840  -5.660
   33   2HB   LEU   6          2HB       LEU   6  -1.485  -3.102  -4.715
   34    HG   LEU   6           HG       LEU   6  -0.078  -1.203  -4.223
   35   1HD1  LEU   6          1HD1      LEU   6   2.004  -2.835  -5.600
   36   2HD1  LEU   6          2HD1      LEU   6   2.034  -2.046  -4.018
   37   3HD1  LEU   6          3HD1      LEU   6   2.126  -1.074  -5.490
   38   1HD2  LEU   6          1HD2      LEU   6  -1.247  -0.765  -6.171
   39   2HD2  LEU   6          2HD2      LEU   6  -0.419  -2.032  -7.074
   40   3HD2  LEU   6          3HD2      LEU   6   0.419  -0.527  -6.696
   41    HA   PRO   7           HA       PRO   7   0.139  -8.097  -3.217
   42   1HB   PRO   7          1HB       PRO   7  -1.177  -8.024  -0.591
   43   2HB   PRO   7          2HB       PRO   7   0.278  -8.922  -1.073
   44   1HG   PRO   7          1HG       PRO   7   0.510  -6.773   0.483
   45   2HG   PRO   7          2HG       PRO   7   1.658  -7.026  -0.849
   46   1HD   PRO   7          1HD       PRO   7  -0.782  -5.264  -0.782
   47   2HD   PRO   7          2HD       PRO   7   0.846  -4.846  -1.346
   48    HA   PRO   8           HA       PRO   8  -4.629  -8.172  -2.824
   49   1HB   PRO   8          1HB       PRO   8  -5.486  -6.013  -1.166
   50   2HB   PRO   8          2HB       PRO   8  -5.439  -7.724  -0.727
   51   1HG   PRO   8          1HG       PRO   8  -3.875  -5.703   0.379
   52   2HG   PRO   8          2HG       PRO   8  -3.546  -7.437   0.490
   53   1HD   PRO   8          1HD       PRO   8  -2.319  -5.420  -1.348
   54   2HD   PRO   8          2HD       PRO   8  -1.615  -6.820  -0.575
   55    H    GLY   9           H        GLY   9  -6.592  -6.505  -3.338
   56   1HA   GLY   9          1HA       GLY   9  -5.838  -4.956  -5.572
   57   2HA   GLY   9          2HA       GLY   9  -7.370  -4.798  -4.710
   58    H    TRP  10           H        TRP  10  -4.015  -3.726  -4.819
   59    HA   TRP  10           HA       TRP  10  -4.763  -1.419  -3.137
   60   1HB   TRP  10          1HB       TRP  10  -2.313  -3.162  -3.038
   61   2HB   TRP  10          2HB       TRP  10  -2.345  -1.575  -2.284
   62    HD1  TRP  10           HD1      TRP  10  -4.577  -4.649  -2.370
   63    HE1  TRP  10           HE1      TRP  10  -5.523  -5.127  -0.029
   64    HE3  TRP  10           HE3      TRP  10  -2.358  -0.837   0.146
   65    HZ2  TRP  10           HZ2      TRP  10  -5.278  -4.064   2.560
   66    HZ3  TRP  10           HZ3      TRP  10  -2.700  -0.691   2.576
   67    HH2  TRP  10           HH2      TRP  10  -4.127  -2.253   3.728
   68    H    GLU  11           H        GLU  11  -3.785   0.527  -3.499
   69    HA   GLU  11           HA       GLU  11  -2.290   0.749  -6.024
   70   1HB   GLU  11          1HB       GLU  11  -4.447   1.978  -5.973
   71   2HB   GLU  11          2HB       GLU  11  -3.886   2.873  -4.567
   72   1HG   GLU  11          1HG       GLU  11  -1.977   3.049  -6.711
   73   2HG   GLU  11          2HG       GLU  11  -3.576   3.554  -7.250
   74    H    LYS  12           H        LYS  12  -0.302   0.321  -5.128
   75    HA   LYS  12           HA       LYS  12   0.648   2.124  -3.012
   76   1HB   LYS  12          1HB       LYS  12   1.560  -0.594  -3.901
   77   2HB   LYS  12          2HB       LYS  12   2.598   0.429  -2.940
   78   1HG   LYS  12          1HG       LYS  12   1.470  -1.170  -1.565
   79   2HG   LYS  12          2HG       LYS  12   0.938   0.450  -1.154
   80   1HD   LYS  12          1HD       LYS  12  -0.816  -0.657  -3.153
   81   2HD   LYS  12          2HD       LYS  12  -0.650  -1.767  -1.793
   82   1HE   LYS  12          1HE       LYS  12  -1.294  -0.159  -0.244
   83   2HE   LYS  12          2HE       LYS  12  -1.138   1.162  -1.402
   84   1HZ   LYS  12          1HZ       LYS  12  -3.239  -0.924  -1.285
   85   2HZ   LYS  12          2HZ       LYS  12  -3.004   0.041  -2.649
   86   3HZ   LYS  12          3HZ       LYS  12  -3.429   0.752  -1.178
   87    H    ARG  13           H        ARG  13   2.651   3.122  -3.236
   88    HA   ARG  13           HA       ARG  13   3.924   3.080  -5.847
   89   1HB   ARG  13          1HB       ARG  13   3.707   5.501  -6.212
   90   2HB   ARG  13          2HB       ARG  13   2.148   4.689  -6.223
   91   1HG   ARG  13          1HG       ARG  13   1.748   5.436  -3.926
   92   2HG   ARG  13          2HG       ARG  13   3.307   6.265  -3.933
   93   1HD   ARG  13          1HD       ARG  13   0.964   6.842  -5.743
   94   2HD   ARG  13          2HD       ARG  13   1.501   7.830  -4.385
   95    HE   ARG  13           HE       ARG  13   3.693   7.858  -5.833
   96   1HH1  ARG  13          1HH1      ARG  13   0.390   8.108  -6.903
   97   2HH1  ARG  13          2HH1      ARG  13   0.771   9.092  -8.276
   98   1HH2  ARG  13          1HH2      ARG  13   4.209   9.152  -7.640
   99   2HH2  ARG  13          2HH2      ARG  13   2.943   9.685  -8.695
  100    H    THR  14           H        THR  14   5.972   4.023  -5.926
  101    HA   THR  14           HA       THR  14   7.091   4.682  -3.285
  102    HB   THR  14           HB       THR  14   7.941   2.531  -4.069
  103    HG1  THR  14           HG1      THR  14  10.260   3.783  -4.507
  104   1HG2  THR  14          1HG2      THR  14   9.270   2.343  -6.095
  105   2HG2  THR  14          2HG2      THR  14   9.008   4.050  -6.452
  106   3HG2  THR  14          3HG2      THR  14   7.652   2.922  -6.488
  107    H    ASP  15           H        ASP  15   6.805   6.899  -3.546
  108    HA   ASP  15           HA       ASP  15   8.168   8.228  -5.763
  109   1HB   ASP  15          1HB       ASP  15   5.929   9.038  -5.155
  110   2HB   ASP  15          2HB       ASP  15   6.473   9.344  -3.508
  111    H    SER  16           H        SER  16   9.853   9.794  -5.372
  112    HA   SER  16           HA       SER  16  11.852   8.999  -3.626
  113   1HB   SER  16          1HB       SER  16  12.823  11.295  -3.895
  114   2HB   SER  16          2HB       SER  16  12.311  10.607  -5.438
  115    HG   SER  16           HG       SER  16  10.512  12.197  -3.993
  116    H    ASN  17           H        ASN  17   8.946  10.686  -2.657
  117    HA   ASN  17           HA       ASN  17   9.849  11.680  -0.231
  118   1HB   ASN  17          1HB       ASN  17   7.604   9.624  -0.560
  119   2HB   ASN  17          2HB       ASN  17   7.839  10.653   0.848
  120   1HD2  ASN  17          1HD2      ASN  17   8.590  12.947  -0.812
  121   2HD2  ASN  17          2HD2      ASN  17   7.113  13.544  -1.481
  122    H    GLY  18           H        GLY  18  10.007   9.067  -2.066
  123   1HA   GLY  18          1HA       GLY  18  11.042   7.135  -2.263
  124   2HA   GLY  18          2HA       GLY  18  12.281   7.871  -1.286
  125    H    ARG  19           H        ARG  19   9.054   6.659  -0.997
  126    HA   ARG  19           HA       ARG  19   9.774   4.594   0.929
  127   1HB   ARG  19          1HB       ARG  19   9.081   6.831   2.123
  128   2HB   ARG  19          2HB       ARG  19   7.464   6.336   1.641
  129   1HG   ARG  19          1HG       ARG  19   7.915   5.619   3.897
  130   2HG   ARG  19          2HG       ARG  19   7.732   4.231   2.824
  131   1HD   ARG  19          1HD       ARG  19   9.607   3.606   3.984
  132   2HD   ARG  19          2HD       ARG  19  10.345   4.457   2.627
  133    HE   ARG  19           HE       ARG  19   9.877   5.759   5.229
  134   1HH1  ARG  19          1HH1      ARG  19  11.916   4.995   2.511
  135   2HH1  ARG  19          2HH1      ARG  19  13.243   5.956   3.073
  136   1HH2  ARG  19          1HH2      ARG  19  11.620   7.021   5.981
  137   2HH2  ARG  19          2HH2      ARG  19  13.076   7.106   5.046
  138    H    VAL  20           H        VAL  20   8.167   3.001   1.159
  139    HA   VAL  20           HA       VAL  20   6.361   2.852  -1.148
  140    HB   VAL  20           HB       VAL  20   6.232   0.446  -0.705
  141   1HG1  VAL  20          1HG1      VAL  20   7.994   1.286  -2.170
  142   2HG1  VAL  20          2HG1      VAL  20   8.535  -0.136  -1.279
  143   3HG1  VAL  20          3HG1      VAL  20   9.068   1.470  -0.783
  144   1HG2  VAL  20          1HG2      VAL  20   6.448   0.407   1.689
  145   2HG2  VAL  20          2HG2      VAL  20   8.081   1.066   1.594
  146   3HG2  VAL  20          3HG2      VAL  20   7.749  -0.557   0.989
  147    H    TYR  21           H        TYR  21   4.489   3.826  -0.595
  148    HA   TYR  21           HA       TYR  21   3.283   3.124   1.987
  149   1HB   TYR  21          1HB       TYR  21   2.560   5.220   2.197
  150   2HB   TYR  21          2HB       TYR  21   3.765   5.589   0.974
  151    HD1  TYR  21           HD1      TYR  21   0.165   4.784   1.407
  152    HD2  TYR  21           HD2      TYR  21   3.144   6.532  -1.081
  153    HE1  TYR  21           HE1      TYR  21  -1.590   5.678  -0.060
  154    HE2  TYR  21           HE2      TYR  21   1.395   7.430  -2.556
  155    HH   TYR  21           HH       TYR  21  -0.938   6.977  -3.138
  156    H    PHE  22           H        PHE  22   1.030   2.691   2.133
  157    HA   PHE  22           HA       PHE  22  -0.054   1.531  -0.336
  158   1HB   PHE  22          1HB       PHE  22  -0.159   0.558   2.504
  159   2HB   PHE  22          2HB       PHE  22  -1.359   0.039   1.327
  160    HD1  PHE  22           HD1      PHE  22   2.304   0.603   1.190
  161    HD2  PHE  22           HD2      PHE  22  -0.915  -2.137   0.603
  162    HE1  PHE  22           HE1      PHE  22   3.873  -1.067   0.325
  163    HE2  PHE  22           HE2      PHE  22   0.659  -3.790  -0.251
  164    HZ   PHE  22           HZ       PHE  22   3.031  -3.247  -0.394
  165    H    VAL  23           H        VAL  23  -1.783   2.475  -1.106
  166    HA   VAL  23           HA       VAL  23  -3.611   3.789   0.786
  167    HB   VAL  23           HB       VAL  23  -2.686   5.446  -0.724
  168   1HG1  VAL  23          1HG1      VAL  23  -1.974   4.198  -2.590
  169   2HG1  VAL  23          2HG1      VAL  23  -3.242   5.272  -3.181
  170   3HG1  VAL  23          3HG1      VAL  23  -3.596   3.570  -2.883
  171   1HG2  VAL  23          1HG2      VAL  23  -4.765   6.310  -1.695
  172   2HG2  VAL  23          2HG2      VAL  23  -5.003   5.713  -0.053
  173   3HG2  VAL  23          3HG2      VAL  23  -5.530   4.743  -1.429
  174    H    ASN  24           H        ASN  24  -4.968   2.166   1.217
  175    HA   ASN  24           HA       ASN  24  -6.459   1.031  -1.058
  176   1HB   ASN  24          1HB       ASN  24  -5.047  -0.676   0.068
  177   2HB   ASN  24          2HB       ASN  24  -5.856  -0.315   1.590
  178   1HD2  ASN  24          1HD2      ASN  24  -6.152  -1.779  -1.540
  179   2HD2  ASN  24          2HD2      ASN  24  -7.614  -2.645  -1.224
  180    H    HIS  25           H        HIS  25  -8.693   1.148  -0.904
  181    HA   HIS  25           HA       HIS  25  -9.644   2.303   1.619
  182   1HB   HIS  25          1HB       HIS  25 -10.589   3.108  -1.131
  183   2HB   HIS  25          2HB       HIS  25 -11.163   3.758   0.401
  184    HD1  HIS  25           HD1      HIS  25  -9.835   5.636   1.433
  185    HD2  HIS  25           HD2      HIS  25  -7.907   3.885  -1.804
  186    HE1  HIS  25           HE1      HIS  25  -7.873   7.127   0.933
  187    HE2  HIS  25           HE2      HIS  25  -6.784   6.105  -1.095
  188    H    ASN  26           H        ASN  26 -10.244   0.178   2.173
  189    HA   ASN  26           HA       ASN  26 -12.657  -0.848   0.880
  190   1HB   ASN  26          1HB       ASN  26 -11.212  -2.627   1.569
  191   2HB   ASN  26          2HB       ASN  26 -10.881  -1.865   3.120
  192   1HD2  ASN  26          1HD2      ASN  26 -14.075  -2.048   1.742
  193   2HD2  ASN  26          2HD2      ASN  26 -14.716  -3.185   2.874
  194    H    THR  27           H        THR  27 -11.847  -0.630   4.278
  195    HA   THR  27           HA       THR  27 -14.230   0.955   4.827
  196    HB   THR  27           HB       THR  27 -13.608   0.623   7.221
  197    HG1  THR  27           HG1      THR  27 -11.738  -0.256   7.748
  198   1HG2  THR  27          1HG2      THR  27 -14.054  -1.796   7.324
  199   2HG2  THR  27          2HG2      THR  27 -13.724  -1.923   5.597
  200   3HG2  THR  27          3HG2      THR  27 -15.106  -0.985   6.164
  201    H    ARG  28           H        ARG  28 -11.055   1.044   6.346
  202    HA   ARG  28           HA       ARG  28 -10.343   3.598   5.194
  203   1HB   ARG  28          1HB       ARG  28 -11.795   4.202   7.121
  204   2HB   ARG  28          2HB       ARG  28 -10.695   3.338   8.188
  205   1HG   ARG  28          1HG       ARG  28 -10.311   5.745   8.245
  206   2HG   ARG  28          2HG       ARG  28  -8.904   4.878   7.625
  207   1HD   ARG  28          1HD       ARG  28  -9.388   6.907   6.326
  208   2HD   ARG  28          2HD       ARG  28  -9.519   5.445   5.350
  209    HE   ARG  28           HE       ARG  28 -12.055   5.818   6.118
  210   1HH1  ARG  28          1HH1      ARG  28  -9.696   8.007   4.788
  211   2HH1  ARG  28          2HH1      ARG  28 -10.873   8.997   3.991
  212   1HH2  ARG  28          1HH2      ARG  28 -13.614   7.114   5.070
  213   2HH2  ARG  28          2HH2      ARG  28 -13.100   8.490   4.151
  214    H    ILE  29           H        ILE  29  -8.438   2.461   4.364
  215    HA   ILE  29           HA       ILE  29  -6.564   1.757   6.538
  216    HB   ILE  29           HB       ILE  29  -7.321  -0.311   5.558
  217   1HG1  ILE  29          1HG1      ILE  29  -5.144  -1.236   4.829
  218   2HG1  ILE  29          2HG1      ILE  29  -4.521   0.403   4.660
  219   1HG2  ILE  29          1HG2      ILE  29  -6.935  -0.838   3.196
  220   2HG2  ILE  29          2HG2      ILE  29  -6.373   0.812   2.928
  221   3HG2  ILE  29          3HG2      ILE  29  -8.047   0.516   3.396
  222   1HD1  ILE  29          1HD1      ILE  29  -3.779  -0.613   6.732
  223   2HD1  ILE  29          2HD1      ILE  29  -5.453  -0.877   7.219
  224   3HD1  ILE  29          3HD1      ILE  29  -4.831   0.765   7.052
  225    H    TPO  30           H        TPO  30  -4.694   2.780   6.524
  226    HA   TPO  30           HA       TPO  30  -3.442   3.593   4.028
  227    HB   TPO  30           HB       TPO  30  -3.114   5.921   4.758
  228   1HG2  TPO  30          1HG2      TPO  30  -4.985   5.375   3.268
  229   2HG2  TPO  30          2HG2      TPO  30  -5.388   6.716   4.341
  230   3HG2  TPO  30          3HG2      TPO  30  -6.021   5.104   4.670
  231    H    GLN  31           H        GLN  31  -1.672   2.348   4.425
  232    HA   GLN  31           HA       GLN  31   0.206   3.290   6.452
  233   1HB   GLN  31          1HB       GLN  31   0.708   1.008   7.225
  234   2HB   GLN  31          2HB       GLN  31  -0.943   1.459   7.602
  235   1HG   GLN  31          1HG       GLN  31  -1.833   0.060   5.966
  236   2HG   GLN  31          2HG       GLN  31  -0.286  -0.091   5.134
  237   1HE2  GLN  31          1HE2      GLN  31  -2.078  -2.166   6.099
  238   2HE2  GLN  31          2HE2      GLN  31  -1.158  -3.130   7.198
  239    H    TRP  32           H        TRP  32   2.454   2.753   5.861
  240    HA   TRP  32           HA       TRP  32   2.605   2.042   3.025
  241   1HB   TRP  32          1HB       TRP  32   5.061   2.521   4.633
  242   2HB   TRP  32          2HB       TRP  32   4.658   3.064   3.009
  243    HD1  TRP  32           HD1      TRP  32   2.874   3.859   6.380
  244    HE1  TRP  32           HE1      TRP  32   2.716   6.419   6.588
  245    HE3  TRP  32           HE3      TRP  32   5.389   5.159   2.141
  246    HZ2  TRP  32           HZ2      TRP  32   3.560   8.695   5.139
  247    HZ3  TRP  32           HZ3      TRP  32   5.667   7.530   1.619
  248    HH2  TRP  32           HH2      TRP  32   4.779   9.273   3.083
  249    H    GLU  33           H        GLU  33   1.848  -0.191   3.629
  250    HA   GLU  33           HA       GLU  33   4.155  -1.909   3.727
  251   1HB   GLU  33          1HB       GLU  33   3.755  -1.682   6.110
  252   2HB   GLU  33          2HB       GLU  33   2.074  -2.169   5.890
  253   1HG   GLU  33          1HG       GLU  33   3.225  -4.247   4.715
  254   2HG   GLU  33          2HG       GLU  33   4.551  -3.791   5.791
  255    H    ASP  34           H        ASP  34   3.789  -4.060   3.005
  256    HA   ASP  34           HA       ASP  34   1.546  -4.444   1.304
  257   1HB   ASP  34          1HB       ASP  34   2.285  -6.763   1.121
  258   2HB   ASP  34          2HB       ASP  34   3.705  -5.722   1.093
  259    HA   PRO  35           HA       PRO  35  -1.186  -5.344   4.718
  260   1HB   PRO  35          1HB       PRO  35  -3.349  -5.849   2.903
  261   2HB   PRO  35          2HB       PRO  35  -2.980  -4.360   3.779
  262   1HG   PRO  35          1HG       PRO  35  -2.822  -4.535   1.080
  263   2HG   PRO  35          2HG       PRO  35  -1.775  -3.469   2.027
  264   1HD   PRO  35          1HD       PRO  35  -1.190  -6.276   1.092
  265   2HD   PRO  35          2HD       PRO  35  -0.228  -4.816   0.796
  266    H    ARG  36           H        ARG  36   0.342  -7.676   3.612
  267    HA   ARG  36           HA       ARG  36  -0.956  -9.917   2.944
  268   1HB   ARG  36          1HB       ARG  36   1.384 -10.013   3.441
  269   2HB   ARG  36          2HB       ARG  36   1.102  -9.617   5.131
  270   1HG   ARG  36          1HG       ARG  36   1.634 -11.994   4.763
  271   2HG   ARG  36          2HG       ARG  36   0.053 -11.748   5.508
  272   1HD   ARG  36          1HD       ARG  36  -1.030 -12.063   3.352
  273   2HD   ARG  36          2HD       ARG  36   0.542 -12.250   2.574
  274    HE   ARG  36           HE       ARG  36   0.428 -14.158   4.571
  275   1HH1  ARG  36          1HH1      ARG  36  -1.355 -13.374   1.685
  276   2HH1  ARG  36          2HH1      ARG  36  -1.796 -15.016   1.355
  277   1HH2  ARG  36          1HH2      ARG  36  -0.147 -16.325   4.145
  278   2HH2  ARG  36          2HH2      ARG  36  -1.109 -16.693   2.754
  279    H    SER  37           H        SER  37  -0.498  -9.278   6.421
  280    HA   SER  37           HA       SER  37  -2.462 -11.058   7.285
  281   1HB   SER  37          1HB       SER  37  -2.344  -9.862   9.444
  282   2HB   SER  37          2HB       SER  37  -0.739 -10.171   8.783
  283    HG   SER  37           HG       SER  37  -0.673  -8.076   9.352
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1   3.983 -12.847 -11.104
    2   2H    GLY   1          2H        GLY   1   5.236 -12.733 -12.236
    3   3H    GLY   1          3H        GLY   1   3.677 -13.154 -12.739
    4   1HA   GLY   1          1HA       GLY   1   4.135 -10.863 -13.308
    5   2HA   GLY   1          2HA       GLY   1   2.843 -10.979 -12.124
    6    H    ALA   2           H        ALA   2   4.691 -11.625  -9.936
    7    HA   ALA   2           HA       ALA   2   5.991 -10.602  -8.366
    8   1HB   ALA   2          1HB       ALA   2   7.582 -10.205 -10.185
    9   2HB   ALA   2          2HB       ALA   2   7.565  -8.869  -9.034
   10   3HB   ALA   2          3HB       ALA   2   6.744  -8.707 -10.587
   11    H    MET   3           H        MET   3   4.852  -7.903 -10.393
   12    HA   MET   3           HA       MET   3   3.783  -5.968  -9.885
   13   1HB   MET   3          1HB       MET   3   1.721  -6.222  -8.511
   14   2HB   MET   3          2HB       MET   3   1.856  -7.385  -9.821
   15   1HG   MET   3          1HG       MET   3   1.030  -8.520  -7.908
   16   2HG   MET   3          2HG       MET   3   2.690  -9.047  -8.175
   17   1HE   MET   3          1HE       MET   3   2.681 -10.070  -5.685
   18   2HE   MET   3          2HE       MET   3   1.027  -9.495  -5.476
   19   3HE   MET   3          3HE       MET   3   2.249  -9.126  -4.259
   20    H    GLY   4           H        GLY   4   3.880  -4.207  -8.583
   21   1HA   GLY   4          1HA       GLY   4   5.800  -4.161  -6.534
   22   2HA   GLY   4          2HA       GLY   4   4.671  -2.870  -6.902
   23    HA   PRO   5           HA       PRO   5   4.072  -4.616  -2.485
   24   1HB   PRO   5          1HB       PRO   5   3.668  -1.675  -2.287
   25   2HB   PRO   5          2HB       PRO   5   4.418  -2.795  -1.145
   26   1HG   PRO   5          1HG       PRO   5   5.914  -1.207  -2.676
   27   2HG   PRO   5          2HG       PRO   5   6.414  -2.869  -2.314
   28   1HD   PRO   5          1HD       PRO   5   5.332  -1.727  -4.835
   29   2HD   PRO   5          2HD       PRO   5   6.451  -3.081  -4.592
   30    H    LEU   6           H        LEU   6   2.251  -5.348  -4.021
   31    HA   LEU   6           HA       LEU   6  -0.158  -4.326  -2.819
   32   1HB   LEU   6          1HB       LEU   6  -0.115  -4.499  -5.828
   33   2HB   LEU   6          2HB       LEU   6  -1.403  -3.903  -4.818
   34    HG   LEU   6           HG       LEU   6  -0.108  -1.925  -4.265
   35   1HD1  LEU   6          1HD1      LEU   6   2.043  -3.479  -5.489
   36   2HD1  LEU   6          2HD1      LEU   6   2.080  -2.226  -4.248
   37   3HD1  LEU   6          3HD1      LEU   6   1.995  -1.776  -5.950
   38   1HD2  LEU   6          1HD2      LEU   6   0.085  -2.281  -7.241
   39   2HD2  LEU   6          2HD2      LEU   6  -0.303  -0.823  -6.329
   40   3HD2  LEU   6          3HD2      LEU   6  -1.467  -2.141  -6.425
   41    HA   PRO   7           HA       PRO   7   0.054  -8.839  -3.249
   42   1HB   PRO   7          1HB       PRO   7  -1.156  -8.585  -0.585
   43   2HB   PRO   7          2HB       PRO   7   0.213  -9.600  -1.086
   44   1HG   PRO   7          1HG       PRO   7   0.653  -7.419   0.375
   45   2HG   PRO   7          2HG       PRO   7   1.729  -7.801  -0.986
   46   1HD   PRO   7          1HD       PRO   7  -0.571  -5.864  -0.894
   47   2HD   PRO   7          2HD       PRO   7   1.055  -5.594  -1.538
   48    HA   PRO   8           HA       PRO   8  -4.670  -8.680  -2.705
   49   1HB   PRO   8          1HB       PRO   8  -5.384  -6.471  -1.049
   50   2HB   PRO   8          2HB       PRO   8  -5.356  -8.175  -0.575
   51   1HG   PRO   8          1HG       PRO   8  -3.694  -6.179   0.422
   52   2HG   PRO   8          2HG       PRO   8  -3.380  -7.918   0.523
   53   1HD   PRO   8          1HD       PRO   8  -2.271  -5.936  -1.438
   54   2HD   PRO   8          2HD       PRO   8  -1.496  -7.289  -0.649
   55    H    GLY   9           H        GLY   9  -6.597  -6.977  -3.208
   56   1HA   GLY   9          1HA       GLY   9  -5.842  -5.458  -5.470
   57   2HA   GLY   9          2HA       GLY   9  -7.365  -5.275  -4.595
   58    H    TRP  10           H        TRP  10  -4.062  -4.150  -4.889
   59    HA   TRP  10           HA       TRP  10  -4.718  -1.909  -3.090
   60   1HB   TRP  10          1HB       TRP  10  -2.278  -3.658  -3.150
   61   2HB   TRP  10          2HB       TRP  10  -2.242  -2.077  -2.383
   62    HD1  TRP  10           HD1      TRP  10  -4.472  -5.147  -2.367
   63    HE1  TRP  10           HE1      TRP  10  -5.323  -5.637   0.005
   64    HE3  TRP  10           HE3      TRP  10  -2.185  -1.338   0.083
   65    HZ2  TRP  10           HZ2      TRP  10  -4.972  -4.610   2.582
   66    HZ3  TRP  10           HZ3      TRP  10  -2.412  -1.231   2.533
   67    HH2  TRP  10           HH2      TRP  10  -3.782  -2.812   3.725
   68    H    GLU  11           H        GLU  11  -3.781   0.045  -3.436
   69    HA   GLU  11           HA       GLU  11  -2.410   0.377  -6.020
   70   1HB   GLU  11          1HB       GLU  11  -4.599   1.574  -5.765
   71   2HB   GLU  11          2HB       GLU  11  -3.908   2.464  -4.415
   72   1HG   GLU  11          1HG       GLU  11  -3.569   2.845  -7.291
   73   2HG   GLU  11          2HG       GLU  11  -3.417   3.987  -5.961
   74    H    LYS  12           H        LYS  12  -0.368  -0.044  -5.237
   75    HA   LYS  12           HA       LYS  12   0.628   1.705  -3.096
   76   1HB   LYS  12          1HB       LYS  12   1.408  -1.038  -3.984
   77   2HB   LYS  12          2HB       LYS  12   2.572  -0.047  -3.129
   78   1HG   LYS  12          1HG       LYS  12   1.512  -1.446  -1.550
   79   2HG   LYS  12          2HG       LYS  12   0.907   0.186  -1.293
   80   1HD   LYS  12          1HD       LYS  12  -0.811  -1.110  -3.168
   81   2HD   LYS  12          2HD       LYS  12  -0.568  -2.171  -1.779
   82   1HE   LYS  12          1HE       LYS  12  -1.248  -0.544  -0.271
   83   2HE   LYS  12          2HE       LYS  12  -1.186   0.741  -1.475
   84   1HZ   LYS  12          1HZ       LYS  12  -3.030  -0.434  -2.638
   85   2HZ   LYS  12          2HZ       LYS  12  -3.455   0.185  -1.124
   86   3HZ   LYS  12          3HZ       LYS  12  -3.159  -1.466  -1.308
   87    H    ARG  13           H        ARG  13   2.600   2.714  -3.305
   88    HA   ARG  13           HA       ARG  13   3.897   2.696  -5.913
   89   1HB   ARG  13          1HB       ARG  13   3.721   5.068  -6.258
   90   2HB   ARG  13          2HB       ARG  13   2.100   4.421  -6.038
   91   1HG   ARG  13          1HG       ARG  13   2.057   5.213  -3.754
   92   2HG   ARG  13          2HG       ARG  13   3.717   5.791  -3.901
   93   1HD   ARG  13          1HD       ARG  13   1.332   6.779  -5.459
   94   2HD   ARG  13          2HD       ARG  13   2.144   7.627  -4.143
   95    HE   ARG  13           HE       ARG  13   3.909   6.964  -6.298
   96   1HH1  ARG  13          1HH1      ARG  13   1.554   9.264  -5.167
   97   2HH1  ARG  13          2HH1      ARG  13   2.176  10.568  -6.125
   98   1HH2  ARG  13          1HH2      ARG  13   4.737   8.671  -7.563
   99   2HH2  ARG  13          2HH2      ARG  13   3.985  10.229  -7.488
  100    H    THR  14           H        THR  14   6.006   3.445  -5.895
  101    HA   THR  14           HA       THR  14   7.104   4.085  -3.241
  102    HB   THR  14           HB       THR  14   9.181   2.903  -3.902
  103    HG1  THR  14           HG1      THR  14   9.367   2.376  -5.936
  104   1HG2  THR  14          1HG2      THR  14   8.313   0.624  -3.625
  105   2HG2  THR  14          2HG2      THR  14   6.686   1.202  -3.987
  106   3HG2  THR  14          3HG2      THR  14   7.514   1.756  -2.532
  107    H    ASP  15           H        ASP  15   7.063   6.278  -3.650
  108    HA   ASP  15           HA       ASP  15   8.527   7.335  -5.936
  109   1HB   ASP  15          1HB       ASP  15   6.372   8.357  -5.270
  110   2HB   ASP  15          2HB       ASP  15   7.062   8.766  -3.701
  111    H    SER  16           H        SER  16  10.352   8.733  -5.696
  112    HA   SER  16           HA       SER  16  12.298   7.891  -3.860
  113   1HB   SER  16          1HB       SER  16  12.631   9.290  -6.019
  114   2HB   SER  16          2HB       SER  16  12.250  10.698  -5.034
  115    HG   SER  16           HG       SER  16  14.350   8.847  -4.565
  116    H    ASN  17           H        ASN  17   9.649  10.080  -3.225
  117    HA   ASN  17           HA       ASN  17  10.662  11.324  -0.968
  118   1HB   ASN  17          1HB       ASN  17   8.174   9.538  -1.040
  119   2HB   ASN  17          2HB       ASN  17   8.544  10.693   0.237
  120   1HD2  ASN  17          1HD2      ASN  17   7.432  10.262  -3.010
  121   2HD2  ASN  17          2HD2      ASN  17   6.877  11.880  -3.257
  122    H    GLY  18           H        GLY  18  10.484   8.448  -2.347
  123   1HA   GLY  18          1HA       GLY  18  11.310   6.415  -2.238
  124   2HA   GLY  18          2HA       GLY  18  12.614   7.138  -1.343
  125    H    ARG  19           H        ARG  19   9.257   6.382  -0.958
  126    HA   ARG  19           HA       ARG  19   9.759   4.661   1.369
  127   1HB   ARG  19          1HB       ARG  19   8.684   7.236   1.597
  128   2HB   ARG  19          2HB       ARG  19   7.295   6.162   1.667
  129   1HG   ARG  19          1HG       ARG  19   8.153   6.654   3.887
  130   2HG   ARG  19          2HG       ARG  19   8.307   4.938   3.504
  131   1HD   ARG  19          1HD       ARG  19  10.672   6.198   2.624
  132   2HD   ARG  19          2HD       ARG  19  10.337   6.813   4.241
  133    HE   ARG  19           HE       ARG  19  10.030   4.180   4.590
  134   1HH1  ARG  19          1HH1      ARG  19  12.528   6.027   3.021
  135   2HH1  ARG  19          2HH1      ARG  19  13.780   4.884   3.378
  136   1HH2  ARG  19          1HH2      ARG  19  11.670   2.666   5.067
  137   2HH2  ARG  19          2HH2      ARG  19  13.292   2.973   4.541
  138    H    VAL  20           H        VAL  20   8.197   3.027   1.654
  139    HA   VAL  20           HA       VAL  20   6.572   2.515  -0.738
  140    HB   VAL  20           HB       VAL  20   6.469   0.186   0.027
  141   1HG1  VAL  20          1HG1      VAL  20   8.305   0.865  -1.426
  142   2HG1  VAL  20          2HG1      VAL  20   8.826  -0.390  -0.301
  143   3HG1  VAL  20          3HG1      VAL  20   9.276   1.291  -0.016
  144   1HG2  VAL  20          1HG2      VAL  20   6.524   0.522   2.418
  145   2HG2  VAL  20          2HG2      VAL  20   8.163   1.166   2.323
  146   3HG2  VAL  20          3HG2      VAL  20   7.859  -0.530   1.945
  147    H    TYR  21           H        TYR  21   4.552   3.331  -0.505
  148    HA   TYR  21           HA       TYR  21   3.231   2.825   2.074
  149   1HB   TYR  21          1HB       TYR  21   2.355   4.917   2.152
  150   2HB   TYR  21          2HB       TYR  21   3.831   5.258   1.272
  151    HD1  TYR  21           HD1      TYR  21   0.198   4.624   0.777
  152    HD2  TYR  21           HD2      TYR  21   3.790   6.270  -0.824
  153    HE1  TYR  21           HE1      TYR  21  -1.083   5.658  -1.053
  154    HE2  TYR  21           HE2      TYR  21   2.509   7.310  -2.641
  155    HH   TYR  21           HH       TYR  21  -0.848   7.580  -2.607
  156    H    PHE  22           H        PHE  22   0.987   2.404   2.082
  157    HA   PHE  22           HA       PHE  22  -0.006   1.237  -0.427
  158   1HB   PHE  22          1HB       PHE  22  -0.112   0.195   2.396
  159   2HB   PHE  22          2HB       PHE  22  -1.285  -0.329   1.200
  160    HD1  PHE  22           HD1      PHE  22   2.362   0.326   0.957
  161    HD2  PHE  22           HD2      PHE  22  -0.765  -2.562   0.626
  162    HE1  PHE  22           HE1      PHE  22   3.962  -1.338   0.161
  163    HE2  PHE  22           HE2      PHE  22   0.838  -4.196  -0.168
  164    HZ   PHE  22           HZ       PHE  22   3.175  -3.579  -0.395
  165    H    VAL  23           H        VAL  23  -1.995   1.814  -1.073
  166    HA   VAL  23           HA       VAL  23  -3.696   3.206   0.879
  167    HB   VAL  23           HB       VAL  23  -4.693   4.359  -1.217
  168   1HG1  VAL  23          1HG1      VAL  23  -3.634   5.612   0.513
  169   2HG1  VAL  23          2HG1      VAL  23  -2.983   6.176  -1.027
  170   3HG1  VAL  23          3HG1      VAL  23  -2.034   5.091  -0.011
  171   1HG2  VAL  23          1HG2      VAL  23  -3.068   4.791  -2.993
  172   2HG2  VAL  23          2HG2      VAL  23  -3.467   3.076  -2.882
  173   3HG2  VAL  23          3HG2      VAL  23  -1.939   3.670  -2.232
  174    H    ASN  24           H        ASN  24  -5.098   1.705   1.430
  175    HA   ASN  24           HA       ASN  24  -6.508   0.247  -0.703
  176   1HB   ASN  24          1HB       ASN  24  -7.132  -1.370   1.106
  177   2HB   ASN  24          2HB       ASN  24  -5.401  -1.294   0.799
  178   1HD2  ASN  24          1HD2      ASN  24  -4.057  -0.265   2.308
  179   2HD2  ASN  24          2HD2      ASN  24  -4.561  -0.021   3.942
  180    H    HIS  25           H        HIS  25  -8.567   0.874  -1.053
  181    HA   HIS  25           HA       HIS  25  -9.818   2.381   1.125
  182   1HB   HIS  25          1HB       HIS  25 -10.041   2.808  -1.850
  183   2HB   HIS  25          2HB       HIS  25 -11.094   3.585  -0.673
  184    HD1  HIS  25           HD1      HIS  25 -10.143   5.548   0.648
  185    HD2  HIS  25           HD2      HIS  25  -7.367   3.743  -1.860
  186    HE1  HIS  25           HE1      HIS  25  -8.166   7.100   0.607
  187    HE2  HIS  25           HE2      HIS  25  -6.550   6.046  -1.014
  188    H    ASN  26           H        ASN  26 -10.666   0.434   1.885
  189    HA   ASN  26           HA       ASN  26 -12.929  -0.670   0.405
  190   1HB   ASN  26          1HB       ASN  26 -13.197  -2.059   2.540
  191   2HB   ASN  26          2HB       ASN  26 -11.712  -2.346   1.639
  192   1HD2  ASN  26          1HD2      ASN  26  -9.761  -1.385   2.414
  193   2HD2  ASN  26          2HD2      ASN  26  -9.578  -1.031   4.095
  194    H    THR  27           H        THR  27 -12.640   0.134   3.801
  195    HA   THR  27           HA       THR  27 -14.952   1.903   3.647
  196    HB   THR  27           HB       THR  27 -13.332   0.992   6.049
  197    HG1  THR  27           HG1      THR  27 -15.202  -0.300   6.455
  198   1HG2  THR  27          1HG2      THR  27 -15.171   1.924   7.385
  199   2HG2  THR  27          2HG2      THR  27 -15.935   2.522   5.912
  200   3HG2  THR  27          3HG2      THR  27 -14.376   3.170   6.422
  201    H    ARG  28           H        ARG  28 -12.072   2.143   5.654
  202    HA   ARG  28           HA       ARG  28 -10.978   4.387   4.194
  203   1HB   ARG  28          1HB       ARG  28 -10.978   5.887   6.163
  204   2HB   ARG  28          2HB       ARG  28 -12.599   5.535   5.583
  205   1HG   ARG  28          1HG       ARG  28 -12.076   3.578   7.496
  206   2HG   ARG  28          2HG       ARG  28 -11.441   5.079   8.174
  207   1HD   ARG  28          1HD       ARG  28 -14.231   4.602   7.131
  208   2HD   ARG  28          2HD       ARG  28 -13.756   4.802   8.818
  209    HE   ARG  28           HE       ARG  28 -12.912   7.077   7.498
  210   1HH1  ARG  28          1HH1      ARG  28 -15.931   5.460   8.127
  211   2HH1  ARG  28          2HH1      ARG  28 -16.865   6.918   8.117
  212   1HH2  ARG  28          1HH2      ARG  28 -14.133   9.005   7.481
  213   2HH2  ARG  28          2HH2      ARG  28 -15.842   8.934   7.750
  214    H    ILE  29           H        ILE  29  -9.044   3.009   3.961
  215    HA   ILE  29           HA       ILE  29  -7.498   2.956   6.453
  216    HB   ILE  29           HB       ILE  29  -7.986   0.489   4.795
  217   1HG1  ILE  29          1HG1      ILE  29  -9.799   1.061   6.363
  218   2HG1  ILE  29          2HG1      ILE  29  -8.960  -0.408   6.851
  219   1HG2  ILE  29          1HG2      ILE  29  -6.514  -0.650   6.392
  220   2HG2  ILE  29          2HG2      ILE  29  -6.153   0.899   7.153
  221   3HG2  ILE  29          3HG2      ILE  29  -5.660   0.600   5.487
  222   1HD1  ILE  29          1HD1      ILE  29  -7.733   0.829   8.536
  223   2HD1  ILE  29          2HD1      ILE  29  -9.471   1.045   8.746
  224   3HD1  ILE  29          3HD1      ILE  29  -8.505   2.328   8.018
  225    H    TPO  30           H        TPO  30  -5.377   3.325   6.232
  226    HA   TPO  30           HA       TPO  30  -4.014   2.797   3.722
  227    HB   TPO  30           HB       TPO  30  -3.809   5.581   4.850
  228   1HG2  TPO  30          1HG2      TPO  30  -1.976   4.815   3.426
  229   2HG2  TPO  30          2HG2      TPO  30  -2.909   6.077   2.623
  230   3HG2  TPO  30          3HG2      TPO  30  -3.128   4.389   2.159
  231    H    GLN  31           H        GLN  31  -2.060   2.023   4.117
  232    HA   GLN  31           HA       GLN  31  -0.453   2.944   6.368
  233   1HB   GLN  31          1HB       GLN  31   0.031   0.406   6.816
  234   2HB   GLN  31          2HB       GLN  31  -1.355   1.174   7.555
  235   1HG   GLN  31          1HG       GLN  31  -2.420  -0.643   6.778
  236   2HG   GLN  31          2HG       GLN  31  -2.502   0.314   5.301
  237   1HE2  GLN  31          1HE2      GLN  31   0.429  -0.008   4.908
  238   2HE2  GLN  31          2HE2      GLN  31   0.626  -1.605   4.284
  239    H    TRP  32           H        TRP  32   1.852   2.463   6.042
  240    HA   TRP  32           HA       TRP  32   2.360   1.843   3.223
  241   1HB   TRP  32          1HB       TRP  32   4.547   2.441   5.154
  242   2HB   TRP  32          2HB       TRP  32   4.367   2.941   3.478
  243    HD1  TRP  32           HD1      TRP  32   2.018   3.676   6.498
  244    HE1  TRP  32           HE1      TRP  32   1.701   6.227   6.627
  245    HE3  TRP  32           HE3      TRP  32   5.155   5.056   2.729
  246    HZ2  TRP  32           HZ2      TRP  32   2.667   8.529   5.298
  247    HZ3  TRP  32           HZ3      TRP  32   5.394   7.433   2.207
  248    HH2  TRP  32           HH2      TRP  32   4.189   9.145   3.467
  249    H    GLU  33           H        GLU  33   1.665  -0.444   3.704
  250    HA   GLU  33           HA       GLU  33   4.061  -2.018   3.968
  251   1HB   GLU  33          1HB       GLU  33   3.481  -1.937   6.296
  252   2HB   GLU  33          2HB       GLU  33   1.823  -2.424   5.938
  253   1HG   GLU  33          1HG       GLU  33   3.096  -4.444   4.764
  254   2HG   GLU  33          2HG       GLU  33   4.306  -4.029   5.986
  255    H    ASP  34           H        ASP  34   3.916  -4.151   3.135
  256    HA   ASP  34           HA       ASP  34   1.809  -4.649   1.277
  257   1HB   ASP  34          1HB       ASP  34   2.761  -7.032   1.314
  258   2HB   ASP  34          2HB       ASP  34   3.889  -5.764   0.840
  259    HA   PRO  35           HA       PRO  35  -0.894  -6.034   4.554
  260   1HB   PRO  35          1HB       PRO  35  -3.045  -6.396   2.732
  261   2HB   PRO  35          2HB       PRO  35  -2.662  -4.953   3.675
  262   1HG   PRO  35          1HG       PRO  35  -2.536  -5.031   0.951
  263   2HG   PRO  35          2HG       PRO  35  -1.534  -3.957   1.936
  264   1HD   PRO  35          1HD       PRO  35  -0.835  -6.707   0.913
  265   2HD   PRO  35          2HD       PRO  35   0.067  -5.206   0.664
  266    H    ARG  36           H        ARG  36   0.456  -8.121   2.462
  267    HA   ARG  36           HA       ARG  36  -0.919 -10.270   1.836
  268   1HB   ARG  36          1HB       ARG  36   0.943 -11.631   2.186
  269   2HB   ARG  36          2HB       ARG  36   1.636 -10.024   2.037
  270   1HG   ARG  36          1HG       ARG  36   1.014 -11.272   4.696
  271   2HG   ARG  36          2HG       ARG  36   2.556 -11.498   3.871
  272   1HD   ARG  36          1HD       ARG  36   2.831  -9.708   5.414
  273   2HD   ARG  36          2HD       ARG  36   2.781  -9.008   3.796
  274    HE   ARG  36           HE       ARG  36   0.261  -8.721   4.472
  275   1HH1  ARG  36          1HH1      ARG  36   3.098  -8.214   6.423
  276   2HH1  ARG  36          2HH1      ARG  36   2.356  -7.002   7.414
  277   1HH2  ARG  36          1HH2      ARG  36  -0.727  -7.132   5.768
  278   2HH2  ARG  36          2HH2      ARG  36   0.181  -6.387   7.041
  279    H    SER  37           H        SER  37   0.056  -9.734   5.221
  280    HA   SER  37           HA       SER  37  -2.422 -10.848   6.166
  281   1HB   SER  37          1HB       SER  37  -1.365 -12.631   7.520
  282   2HB   SER  37          2HB       SER  37  -1.161 -12.908   5.790
  283    HG   SER  37           HG       SER  37   0.745 -13.100   7.314
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1   1.248  -7.145 -10.649
    2   2H    GLY   1          2H        GLY   1   2.427  -6.218  -9.865
    3   3H    GLY   1          3H        GLY   1   0.794  -5.798  -9.730
    4   1HA   GLY   1          1HA       GLY   1   1.549  -6.866  -7.708
    5   2HA   GLY   1          2HA       GLY   1   0.324  -7.829  -8.521
    6    H    ALA   2           H        ALA   2   0.888  -9.792  -9.461
    7    HA   ALA   2           HA       ALA   2   2.016 -11.762  -9.631
    8   1HB   ALA   2          1HB       ALA   2   3.433 -10.445 -11.131
    9   2HB   ALA   2          2HB       ALA   2   4.369 -11.658 -10.258
   10   3HB   ALA   2          3HB       ALA   2   4.438  -9.967  -9.762
   11    H    MET   3           H        MET   3   4.502  -9.949  -7.864
   12    HA   MET   3           HA       MET   3   3.883 -11.199  -5.358
   13   1HB   MET   3          1HB       MET   3   5.987 -12.439  -5.126
   14   2HB   MET   3          2HB       MET   3   5.020 -13.064  -6.454
   15   1HG   MET   3          1HG       MET   3   6.416 -11.776  -8.029
   16   2HG   MET   3          2HG       MET   3   7.418 -11.259  -6.674
   17   1HE   MET   3          1HE       MET   3   8.797 -13.003  -5.135
   18   2HE   MET   3          2HE       MET   3   8.820 -14.740  -5.437
   19   3HE   MET   3          3HE       MET   3   7.331 -13.957  -4.909
   20    H    GLY   4           H        GLY   4   3.874  -9.147  -4.507
   21   1HA   GLY   4          1HA       GLY   4   5.979  -8.069  -3.249
   22   2HA   GLY   4          2HA       GLY   4   6.179  -7.417  -4.867
   23    HA   PRO   5           HA       PRO   5   4.043  -4.132  -2.261
   24   1HB   PRO   5          1HB       PRO   5   4.638  -3.071  -5.006
   25   2HB   PRO   5          2HB       PRO   5   4.714  -2.244  -3.446
   26   1HG   PRO   5          1HG       PRO   5   6.910  -3.258  -4.689
   27   2HG   PRO   5          2HG       PRO   5   6.767  -3.119  -2.930
   28   1HD   PRO   5          1HD       PRO   5   6.853  -5.521  -4.563
   29   2HD   PRO   5          2HD       PRO   5   6.898  -5.375  -2.796
   30    H    LEU   6           H        LEU   6   2.051  -3.155  -2.543
   31    HA   LEU   6           HA       LEU   6  -0.185  -3.446  -2.865
   32   1HB   LEU   6          1HB       LEU   6  -0.037  -3.167  -5.757
   33   2HB   LEU   6          2HB       LEU   6  -0.801  -2.139  -4.570
   34    HG   LEU   6           HG       LEU   6   0.717  -0.607  -4.991
   35   1HD1  LEU   6          1HD1      LEU   6   2.982  -2.404  -4.255
   36   2HD1  LEU   6          2HD1      LEU   6   1.843  -1.822  -3.042
   37   3HD1  LEU   6          3HD1      LEU   6   2.801  -0.673  -3.978
   38   1HD2  LEU   6          1HD2      LEU   6   2.219  -2.687  -6.571
   39   2HD2  LEU   6          2HD2      LEU   6   2.544  -0.953  -6.597
   40   3HD2  LEU   6          3HD2      LEU   6   1.004  -1.570  -7.192
   41    HA   PRO   7           HA       PRO   7  -0.041  -7.770  -4.229
   42   1HB   PRO   7          1HB       PRO   7  -1.487  -8.099  -1.715
   43   2HB   PRO   7          2HB       PRO   7  -0.046  -8.967  -2.282
   44   1HG   PRO   7          1HG       PRO   7   0.144  -7.165  -0.314
   45   2HG   PRO   7          2HG       PRO   7   1.404  -7.271  -1.563
   46   1HD   PRO   7          1HD       PRO   7  -0.909  -5.356  -1.381
   47   2HD   PRO   7          2HD       PRO   7   0.786  -4.988  -1.714
   48    HA   PRO   8           HA       PRO   8  -4.790  -7.692  -3.925
   49   1HB   PRO   8          1HB       PRO   8  -5.625  -5.715  -2.037
   50   2HB   PRO   8          2HB       PRO   8  -5.672  -7.469  -1.832
   51   1HG   PRO   8          1HG       PRO   8  -4.063  -5.694  -0.413
   52   2HG   PRO   8          2HG       PRO   8  -3.821  -7.442  -0.524
   53   1HD   PRO   8          1HD       PRO   8  -2.420  -5.265  -2.020
   54   2HD   PRO   8          2HD       PRO   8  -1.821  -6.796  -1.430
   55    H    GLY   9           H        GLY   9  -6.661  -6.061  -4.481
   56   1HA   GLY   9          1HA       GLY   9  -5.769  -4.219  -6.410
   57   2HA   GLY   9          2HA       GLY   9  -7.382  -4.223  -5.696
   58    H    TRP  10           H        TRP  10  -4.070  -3.102  -5.256
   59    HA   TRP  10           HA       TRP  10  -5.064  -1.059  -3.369
   60   1HB   TRP  10          1HB       TRP  10  -2.477  -2.601  -3.468
   61   2HB   TRP  10          2HB       TRP  10  -2.641  -1.125  -2.530
   62    HD1  TRP  10           HD1      TRP  10  -4.671  -4.290  -2.978
   63    HE1  TRP  10           HE1      TRP  10  -5.586  -5.063  -0.697
   64    HE3  TRP  10           HE3      TRP  10  -2.547  -0.727  -0.075
   65    HZ2  TRP  10           HZ2      TRP  10  -5.331  -4.287   2.005
   66    HZ3  TRP  10           HZ3      TRP  10  -2.848  -0.859   2.358
   67    HH2  TRP  10           HH2      TRP  10  -4.205  -2.580   3.352
   68    H    GLU  11           H        GLU  11  -4.283   1.003  -3.446
   69    HA   GLU  11           HA       GLU  11  -2.925   1.737  -5.945
   70   1HB   GLU  11          1HB       GLU  11  -5.104   2.825  -5.561
   71   2HB   GLU  11          2HB       GLU  11  -4.526   3.445  -4.021
   72   1HG   GLU  11          1HG       GLU  11  -2.884   4.812  -5.144
   73   2HG   GLU  11          2HG       GLU  11  -3.351   4.136  -6.704
   74    H    LYS  12           H        LYS  12  -0.865   1.226  -5.264
   75    HA   LYS  12           HA       LYS  12   0.224   2.739  -2.990
   76   1HB   LYS  12          1HB       LYS  12   1.141   0.242  -4.377
   77   2HB   LYS  12          2HB       LYS  12   2.195   1.123  -3.297
   78   1HG   LYS  12          1HG       LYS  12   1.181  -0.746  -2.190
   79   2HG   LYS  12          2HG       LYS  12   0.649   0.756  -1.456
   80   1HD   LYS  12          1HD       LYS  12  -1.205  -0.006  -3.521
   81   2HD   LYS  12          2HD       LYS  12  -0.939  -1.342  -2.399
   82   1HE   LYS  12          1HE       LYS  12  -1.455  -0.033  -0.538
   83   2HE   LYS  12          2HE       LYS  12  -1.433   1.461  -1.469
   84   1HZ   LYS  12          1HZ       LYS  12  -3.494  -0.657  -1.456
   85   2HZ   LYS  12          2HZ       LYS  12  -3.378   0.443  -2.731
   86   3HZ   LYS  12          3HZ       LYS  12  -3.680   0.998  -1.164
   87    H    ARG  13           H        ARG  13   2.188   3.803  -3.226
   88    HA   ARG  13           HA       ARG  13   3.141   4.246  -5.951
   89   1HB   ARG  13          1HB       ARG  13   1.632   6.015  -5.909
   90   2HB   ARG  13          2HB       ARG  13   1.915   6.350  -4.209
   91   1HG   ARG  13          1HG       ARG  13   2.846   8.089  -5.634
   92   2HG   ARG  13          2HG       ARG  13   4.111   7.251  -4.735
   93   1HD   ARG  13          1HD       ARG  13   4.792   7.620  -7.037
   94   2HD   ARG  13          2HD       ARG  13   4.612   5.897  -6.710
   95    HE   ARG  13           HE       ARG  13   2.197   6.655  -7.733
   96   1HH1  ARG  13          1HH1      ARG  13   5.503   6.868  -8.811
   97   2HH1  ARG  13          2HH1      ARG  13   5.098   6.760 -10.491
   98   1HH2  ARG  13          1HH2      ARG  13   1.653   6.513  -9.941
   99   2HH2  ARG  13          2HH2      ARG  13   2.907   6.560 -11.134
  100    H    THR  14           H        THR  14   5.241   4.848  -6.134
  101    HA   THR  14           HA       THR  14   6.767   5.025  -3.621
  102    HB   THR  14           HB       THR  14   8.652   3.969  -4.753
  103    HG1  THR  14           HG1      THR  14   6.875   3.860  -6.980
  104   1HG2  THR  14          1HG2      THR  14   6.099   2.393  -5.096
  105   2HG2  THR  14          2HG2      THR  14   7.049   2.518  -3.615
  106   3HG2  THR  14          3HG2      THR  14   7.726   1.716  -5.031
  107    H    ASP  15           H        ASP  15   6.715   7.263  -3.567
  108    HA   ASP  15           HA       ASP  15   8.080   8.683  -5.752
  109   1HB   ASP  15          1HB       ASP  15   5.825   9.514  -5.158
  110   2HB   ASP  15          2HB       ASP  15   6.367   9.775  -3.502
  111    H    SER  16           H        SER  16   9.794  10.154  -5.216
  112    HA   SER  16           HA       SER  16  11.701   9.226  -3.433
  113   1HB   SER  16          1HB       SER  16  11.973  11.055  -5.239
  114   2HB   SER  16          2HB       SER  16  11.374  12.192  -4.035
  115    HG   SER  16           HG       SER  16  13.403  10.531  -3.175
  116    H    ASN  17           H        ASN  17   8.801  10.933  -2.534
  117    HA   ASN  17           HA       ASN  17   9.577  11.803  -0.019
  118   1HB   ASN  17          1HB       ASN  17   7.112  11.375  -0.863
  119   2HB   ASN  17          2HB       ASN  17   7.374   9.721  -0.318
  120   1HD2  ASN  17          1HD2      ASN  17   8.727  12.524   1.256
  121   2HD2  ASN  17          2HD2      ASN  17   7.780  12.414   2.697
  122    H    GLY  18           H        GLY  18   9.792   9.267  -1.955
  123   1HA   GLY  18          1HA       GLY  18  10.794   7.318  -2.176
  124   2HA   GLY  18          2HA       GLY  18  12.009   8.007  -1.133
  125    H    ARG  19           H        ARG  19   8.758   6.842  -0.986
  126    HA   ARG  19           HA       ARG  19   9.405   4.745   0.948
  127   1HB   ARG  19          1HB       ARG  19   8.536   7.024   2.017
  128   2HB   ARG  19          2HB       ARG  19   6.985   6.362   1.520
  129   1HG   ARG  19          1HG       ARG  19   7.483   5.821   3.835
  130   2HG   ARG  19          2HG       ARG  19   7.364   4.374   2.833
  131   1HD   ARG  19          1HD       ARG  19   9.247   4.143   4.309
  132   2HD   ARG  19          2HD       ARG  19   9.838   4.353   2.661
  133    HE   ARG  19           HE       ARG  19  10.479   6.586   3.229
  134   1HH1  ARG  19          1HH1      ARG  19   9.429   4.639   5.919
  135   2HH1  ARG  19          2HH1      ARG  19  10.215   5.624   7.106
  136   1HH2  ARG  19          1HH2      ARG  19  11.523   7.887   4.787
  137   2HH2  ARG  19          2HH2      ARG  19  11.405   7.470   6.464
  138    H    VAL  20           H        VAL  20   7.850   3.103   1.046
  139    HA   VAL  20           HA       VAL  20   6.158   2.930  -1.349
  140    HB   VAL  20           HB       VAL  20   6.039   0.478  -0.763
  141   1HG1  VAL  20          1HG1      VAL  20   8.316  -0.021  -1.561
  142   2HG1  VAL  20          2HG1      VAL  20   8.771   1.658  -1.268
  143   3HG1  VAL  20          3HG1      VAL  20   7.552   1.274  -2.484
  144   1HG2  VAL  20          1HG2      VAL  20   7.689  -0.409   0.800
  145   2HG2  VAL  20          2HG2      VAL  20   6.582   0.696   1.616
  146   3HG2  VAL  20          3HG2      VAL  20   8.209   1.229   1.195
  147    H    TYR  21           H        TYR  21   4.364   4.091  -0.649
  148    HA   TYR  21           HA       TYR  21   3.089   3.254   1.843
  149   1HB   TYR  21          1HB       TYR  21   2.088   5.288   1.938
  150   2HB   TYR  21          2HB       TYR  21   3.516   5.708   1.017
  151    HD1  TYR  21           HD1      TYR  21  -0.115   5.039   0.716
  152    HD2  TYR  21           HD2      TYR  21   3.399   6.506  -1.197
  153    HE1  TYR  21           HE1      TYR  21  -1.482   5.957  -1.114
  154    HE2  TYR  21           HE2      TYR  21   2.033   7.428  -3.016
  155    HH   TYR  21           HH       TYR  21  -1.322   7.741  -2.818
  156    H    PHE  22           H        PHE  22   0.883   2.719   1.997
  157    HA   PHE  22           HA       PHE  22  -0.276   1.696  -0.498
  158   1HB   PHE  22          1HB       PHE  22  -0.152   0.416   2.218
  159   2HB   PHE  22          2HB       PHE  22  -1.401  -0.033   1.061
  160    HD1  PHE  22           HD1      PHE  22   2.251   0.572   1.076
  161    HD2  PHE  22           HD2      PHE  22  -0.948  -1.941  -0.232
  162    HE1  PHE  22           HE1      PHE  22   3.857  -0.906  -0.031
  163    HE2  PHE  22           HE2      PHE  22   0.668  -3.406  -1.325
  164    HZ   PHE  22           HZ       PHE  22   3.046  -2.873  -1.222
  165    H    VAL  23           H        VAL  23  -2.176   2.469  -1.021
  166    HA   VAL  23           HA       VAL  23  -3.850   3.616   1.106
  167    HB   VAL  23           HB       VAL  23  -3.301   4.611  -1.665
  168   1HG1  VAL  23          1HG1      VAL  23  -5.289   6.037  -1.560
  169   2HG1  VAL  23          2HG1      VAL  23  -5.795   5.226  -0.077
  170   3HG1  VAL  23          3HG1      VAL  23  -5.730   4.330  -1.594
  171   1HG2  VAL  23          1HG2      VAL  23  -3.148   6.750  -0.513
  172   2HG2  VAL  23          2HG2      VAL  23  -2.104   5.555   0.258
  173   3HG2  VAL  23          3HG2      VAL  23  -3.645   5.989   0.997
  174    H    ASN  24           H        ASN  24  -4.972   1.741   1.472
  175    HA   ASN  24           HA       ASN  24  -6.674   0.788  -0.737
  176   1HB   ASN  24          1HB       ASN  24  -5.141  -0.902   0.376
  177   2HB   ASN  24          2HB       ASN  24  -6.079  -0.673   1.847
  178   1HD2  ASN  24          1HD2      ASN  24  -7.372  -0.641  -1.406
  179   2HD2  ASN  24          2HD2      ASN  24  -8.307  -2.087  -1.253
  180    H    HIS  25           H        HIS  25  -8.824   1.236  -0.560
  181    HA   HIS  25           HA       HIS  25  -9.643   2.195   2.093
  182   1HB   HIS  25          1HB       HIS  25 -10.588   3.149  -0.610
  183   2HB   HIS  25          2HB       HIS  25 -11.275   3.659   0.928
  184    HD1  HIS  25           HD1      HIS  25 -10.204   5.620   2.026
  185    HD2  HIS  25           HD2      HIS  25  -7.789   3.948  -0.911
  186    HE1  HIS  25           HE1      HIS  25  -8.246   7.180   1.799
  187    HE2  HIS  25           HE2      HIS  25  -6.860   6.210  -0.068
  188    H    ASN  26           H        ASN  26 -10.231   0.053   2.573
  189    HA   ASN  26           HA       ASN  26 -12.767  -0.851   1.434
  190   1HB   ASN  26          1HB       ASN  26 -10.924  -2.030   3.545
  191   2HB   ASN  26          2HB       ASN  26 -12.493  -2.721   3.146
  192   1HD2  ASN  26          1HD2      ASN  26 -10.464  -1.230   0.756
  193   2HD2  ASN  26          2HD2      ASN  26 -10.028  -2.681  -0.075
  194    H    THR  27           H        THR  27 -11.677  -0.870   4.749
  195    HA   THR  27           HA       THR  27 -13.973   0.702   5.618
  196    HB   THR  27           HB       THR  27 -13.681  -1.127   7.069
  197    HG1  THR  27           HG1      THR  27 -13.832   0.774   8.295
  198   1HG2  THR  27          1HG2      THR  27 -10.722  -0.547   7.216
  199   2HG2  THR  27          2HG2      THR  27 -11.451  -1.783   6.193
  200   3HG2  THR  27          3HG2      THR  27 -11.575  -1.906   7.947
  201    H    ARG  28           H        ARG  28 -10.681   0.628   6.855
  202    HA   ARG  28           HA       ARG  28 -10.049   3.295   5.927
  203   1HB   ARG  28          1HB       ARG  28 -10.439   2.619   8.837
  204   2HB   ARG  28          2HB       ARG  28  -9.384   3.931   8.332
  205   1HG   ARG  28          1HG       ARG  28 -12.265   3.755   7.502
  206   2HG   ARG  28          2HG       ARG  28 -11.737   4.567   8.978
  207   1HD   ARG  28          1HD       ARG  28 -12.025   6.110   7.064
  208   2HD   ARG  28          2HD       ARG  28 -10.385   6.101   7.712
  209    HE   ARG  28           HE       ARG  28 -10.862   4.346   5.454
  210   1HH1  ARG  28          1HH1      ARG  28  -9.766   7.456   6.570
  211   2HH1  ARG  28          2HH1      ARG  28  -8.840   7.788   5.143
  212   1HH2  ARG  28          1HH2      ARG  28  -9.646   4.771   3.569
  213   2HH2  ARG  28          2HH2      ARG  28  -8.774   6.262   3.438
  214    H    ILE  29           H        ILE  29  -8.291   2.246   4.776
  215    HA   ILE  29           HA       ILE  29  -6.197   1.249   6.607
  216    HB   ILE  29           HB       ILE  29  -6.831   0.192   3.856
  217   1HG1  ILE  29          1HG1      ILE  29  -7.064  -1.040   6.609
  218   2HG1  ILE  29          2HG1      ILE  29  -8.396  -0.599   5.546
  219   1HG2  ILE  29          1HG2      ILE  29  -4.436   0.224   4.232
  220   2HG2  ILE  29          2HG2      ILE  29  -5.039  -1.433   4.294
  221   3HG2  ILE  29          3HG2      ILE  29  -4.649  -0.579   5.787
  222   1HD1  ILE  29          1HD1      ILE  29  -8.039  -2.979   5.494
  223   2HD1  ILE  29          2HD1      ILE  29  -6.348  -2.745   5.049
  224   3HD1  ILE  29          3HD1      ILE  29  -7.628  -2.280   3.928
  225    H    TPO  30           H        TPO  30  -4.435   2.439   6.609
  226    HA   TPO  30           HA       TPO  30  -3.308   3.403   4.116
  227    HB   TPO  30           HB       TPO  30  -4.476   5.368   4.512
  228   1HG2  TPO  30          1HG2      TPO  30  -5.383   4.791   6.708
  229   2HG2  TPO  30          2HG2      TPO  30  -4.719   6.425   6.718
  230   3HG2  TPO  30          3HG2      TPO  30  -3.813   5.100   7.448
  231    H    GLN  31           H        GLN  31  -1.568   2.111   4.415
  232    HA   GLN  31           HA       GLN  31   0.414   2.982   6.380
  233   1HB   GLN  31          1HB       GLN  31   0.943   0.689   7.038
  234   2HB   GLN  31          2HB       GLN  31  -0.728   1.048   7.422
  235   1HG   GLN  31          1HG       GLN  31  -1.507  -0.183   5.526
  236   2HG   GLN  31          2HG       GLN  31   0.145  -0.421   4.957
  237   1HE2  GLN  31          1HE2      GLN  31   1.160  -0.894   7.651
  238   2HE2  GLN  31          2HE2      GLN  31   0.654  -2.489   8.078
  239    H    TRP  32           H        TRP  32   2.627   2.505   5.617
  240    HA   TRP  32           HA       TRP  32   2.603   2.064   2.728
  241   1HB   TRP  32          1HB       TRP  32   5.154   2.318   4.241
  242   2HB   TRP  32          2HB       TRP  32   4.671   3.060   2.719
  243    HD1  TRP  32           HD1      TRP  32   3.278   3.449   6.347
  244    HE1  TRP  32           HE1      TRP  32   3.073   5.972   6.821
  245    HE3  TRP  32           HE3      TRP  32   5.139   5.226   1.957
  246    HZ2  TRP  32           HZ2      TRP  32   3.634   8.404   5.490
  247    HZ3  TRP  32           HZ3      TRP  32   5.255   7.643   1.618
  248    HH2  TRP  32           HH2      TRP  32   4.534   9.213   3.348
  249    H    GLU  33           H        GLU  33   1.844  -0.236   3.158
  250    HA   GLU  33           HA       GLU  33   4.135  -1.965   2.937
  251   1HB   GLU  33          1HB       GLU  33   3.865  -1.932   5.364
  252   2HB   GLU  33          2HB       GLU  33   2.192  -2.460   5.184
  253   1HG   GLU  33          1HG       GLU  33   3.380  -4.369   3.754
  254   2HG   GLU  33          2HG       GLU  33   4.706  -3.977   4.855
  255    H    ASP  34           H        ASP  34   3.706  -4.033   2.034
  256    HA   ASP  34           HA       ASP  34   1.325  -4.256   0.490
  257   1HB   ASP  34          1HB       ASP  34   2.094  -6.793   0.482
  258   2HB   ASP  34          2HB       ASP  34   3.033  -5.588  -0.396
  259    HA   PRO  35           HA       PRO  35  -1.092  -5.631   3.976
  260   1HB   PRO  35          1HB       PRO  35  -3.412  -5.904   2.364
  261   2HB   PRO  35          2HB       PRO  35  -2.884  -4.472   3.254
  262   1HG   PRO  35          1HG       PRO  35  -3.014  -4.594   0.520
  263   2HG   PRO  35          2HG       PRO  35  -1.917  -3.523   1.402
  264   1HD   PRO  35          1HD       PRO  35  -1.358  -6.280   0.321
  265   2HD   PRO  35          2HD       PRO  35  -0.441  -4.791   0.033
  266    H    ARG  36           H        ARG  36   0.109  -7.783   3.955
  267    HA   ARG  36           HA       ARG  36  -0.860 -10.033   2.599
  268   1HB   ARG  36          1HB       ARG  36   0.387 -11.349   4.180
  269   2HB   ARG  36          2HB       ARG  36   1.315  -9.902   3.812
  270   1HG   ARG  36          1HG       ARG  36   1.551 -10.022   6.086
  271   2HG   ARG  36          2HG       ARG  36   0.150  -8.959   5.948
  272   1HD   ARG  36          1HD       ARG  36  -0.229 -10.654   7.648
  273   2HD   ARG  36          2HD       ARG  36  -1.332 -10.883   6.290
  274    HE   ARG  36           HE       ARG  36   0.902 -12.466   5.819
  275   1HH1  ARG  36          1HH1      ARG  36  -1.689 -12.245   8.134
  276   2HH1  ARG  36          2HH1      ARG  36  -1.685 -13.938   8.494
  277   1HH2  ARG  36          1HH2      ARG  36   0.917 -14.697   6.285
  278   2HH2  ARG  36          2HH2      ARG  36  -0.202 -15.334   7.444
  279    H    SER  37           H        SER  37  -2.675  -8.160   4.411
  280    HA   SER  37           HA       SER  37  -3.976 -10.090   6.113
  281   1HB   SER  37          1HB       SER  37  -4.759  -7.263   5.361
  282   2HB   SER  37          2HB       SER  37  -5.555  -8.241   6.594
  283    HG   SER  37           HG       SER  37  -4.090  -7.515   7.897
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1   1.086 -10.640  -9.788
    2   2H    GLY   1          2H        GLY   1   0.917  -9.231 -10.709
    3   3H    GLY   1          3H        GLY   1   1.633  -9.160  -9.178
    4   1HA   GLY   1          1HA       GLY   1   2.740 -10.568 -11.546
    5   2HA   GLY   1          2HA       GLY   1   3.305  -9.025 -10.921
    6    H    ALA   2           H        ALA   2   2.273 -11.563  -8.773
    7    HA   ALA   2           HA       ALA   2   3.384 -12.890  -7.292
    8   1HB   ALA   2          1HB       ALA   2   4.562 -13.760  -9.252
    9   2HB   ALA   2          2HB       ALA   2   5.622 -13.686  -7.844
   10   3HB   ALA   2          3HB       ALA   2   5.753 -12.467  -9.110
   11    H    MET   3           H        MET   3   3.571 -11.940  -5.369
   12    HA   MET   3           HA       MET   3   4.209 -10.483  -3.727
   13   1HB   MET   3          1HB       MET   3   6.646 -10.386  -3.365
   14   2HB   MET   3          2HB       MET   3   6.094 -12.019  -3.707
   15   1HG   MET   3          1HG       MET   3   6.842 -11.769  -6.030
   16   2HG   MET   3          2HG       MET   3   7.438 -10.155  -5.650
   17   1HE   MET   3          1HE       MET   3   9.182 -12.487  -6.978
   18   2HE   MET   3          2HE       MET   3  10.700 -12.320  -6.096
   19   3HE   MET   3          3HE       MET   3   9.833 -10.883  -6.639
   20    H    GLY   4           H        GLY   4   5.759  -8.461  -3.307
   21   1HA   GLY   4          1HA       GLY   4   6.659  -6.441  -4.228
   22   2HA   GLY   4          2HA       GLY   4   5.718  -6.729  -5.681
   23    HA   PRO   5           HA       PRO   5   3.533  -3.571  -3.035
   24   1HB   PRO   5          1HB       PRO   5   3.289  -1.685  -4.956
   25   2HB   PRO   5          2HB       PRO   5   4.734  -1.842  -3.959
   26   1HG   PRO   5          1HG       PRO   5   4.236  -2.852  -6.735
   27   2HG   PRO   5          2HG       PRO   5   5.657  -2.007  -6.093
   28   1HD   PRO   5          1HD       PRO   5   5.592  -4.692  -6.397
   29   2HD   PRO   5          2HD       PRO   5   6.489  -3.907  -5.082
   30    H    LEU   6           H        LEU   6   1.401  -2.717  -3.271
   31    HA   LEU   6           HA       LEU   6  -0.801  -3.215  -3.474
   32   1HB   LEU   6          1HB       LEU   6  -0.461  -3.162  -6.442
   33   2HB   LEU   6          2HB       LEU   6  -1.744  -2.483  -5.470
   34    HG   LEU   6           HG       LEU   6  -0.295  -0.691  -4.735
   35   1HD1  LEU   6          1HD1      LEU   6   1.761  -2.252  -6.231
   36   2HD1  LEU   6          2HD1      LEU   6   1.781  -1.626  -4.577
   37   3HD1  LEU   6          3HD1      LEU   6   1.946  -0.517  -5.943
   38   1HD2  LEU   6          1HD2      LEU   6  -1.496  -0.233  -6.765
   39   2HD2  LEU   6          2HD2      LEU   6  -0.319  -1.128  -7.724
   40   3HD2  LEU   6          3HD2      LEU   6   0.141   0.391  -6.956
   41    HA   PRO   7           HA       PRO   7  -0.282  -7.607  -4.484
   42   1HB   PRO   7          1HB       PRO   7  -1.170  -7.973  -1.742
   43   2HB   PRO   7          2HB       PRO   7   0.286  -8.609  -2.526
   44   1HG   PRO   7          1HG       PRO   7   0.436  -6.657  -0.678
   45   2HG   PRO   7          2HG       PRO   7   1.516  -6.673  -2.087
   46   1HD   PRO   7          1HD       PRO   7  -1.014  -5.101  -1.671
   47   2HD   PRO   7          2HD       PRO   7   0.543  -4.525  -2.297
   48    HA   PRO   8           HA       PRO   8  -4.857  -8.193  -3.256
   49   1HB   PRO   8          1HB       PRO   8  -5.639  -6.166  -1.399
   50   2HB   PRO   8          2HB       PRO   8  -5.393  -7.882  -1.065
   51   1HG   PRO   8          1HG       PRO   8  -3.839  -5.772  -0.115
   52   2HG   PRO   8          2HG       PRO   8  -3.377  -7.478  -0.122
   53   1HD   PRO   8          1HD       PRO   8  -2.534  -5.313  -1.990
   54   2HD   PRO   8          2HD       PRO   8  -1.679  -6.735  -1.443
   55    H    GLY   9           H        GLY   9  -4.192  -6.620  -5.408
   56   1HA   GLY   9          1HA       GLY   9  -4.937  -4.897  -6.800
   57   2HA   GLY   9          2HA       GLY   9  -6.512  -5.263  -6.093
   58    H    TRP  10           H        TRP  10  -3.482  -3.683  -5.231
   59    HA   TRP  10           HA       TRP  10  -4.958  -1.678  -3.640
   60   1HB   TRP  10          1HB       TRP  10  -2.315  -3.050  -3.385
   61   2HB   TRP  10          2HB       TRP  10  -2.529  -1.481  -2.636
   62    HD1  TRP  10           HD1      TRP  10  -4.723  -4.578  -2.898
   63    HE1  TRP  10           HE1      TRP  10  -5.627  -5.212  -0.570
   64    HE3  TRP  10           HE3      TRP  10  -2.414  -0.982  -0.174
   65    HZ2  TRP  10           HZ2      TRP  10  -5.308  -4.338   2.085
   66    HZ3  TRP  10           HZ3      TRP  10  -2.687  -0.999   2.272
   67    HH2  TRP  10           HH2      TRP  10  -4.109  -2.623   3.352
   68    H    GLU  11           H        GLU  11  -4.345   0.474  -3.692
   69    HA   GLU  11           HA       GLU  11  -2.914   1.304  -6.108
   70   1HB   GLU  11          1HB       GLU  11  -5.074   2.358  -5.783
   71   2HB   GLU  11          2HB       GLU  11  -4.640   2.835  -4.149
   72   1HG   GLU  11          1HG       GLU  11  -2.893   4.303  -5.065
   73   2HG   GLU  11          2HG       GLU  11  -3.400   3.856  -6.693
   74    H    LYS  12           H        LYS  12  -0.822   0.874  -5.463
   75    HA   LYS  12           HA       LYS  12   0.230   2.427  -3.188
   76   1HB   LYS  12          1HB       LYS  12   1.123  -0.191  -4.354
   77   2HB   LYS  12          2HB       LYS  12   2.183   0.762  -3.349
   78   1HG   LYS  12          1HG       LYS  12   1.153  -0.978  -2.082
   79   2HG   LYS  12          2HG       LYS  12   0.596   0.586  -1.511
   80   1HD   LYS  12          1HD       LYS  12  -1.202  -0.368  -3.534
   81   2HD   LYS  12          2HD       LYS  12  -0.951  -1.611  -2.311
   82   1HE   LYS  12          1HE       LYS  12  -1.529  -0.163  -0.568
   83   2HE   LYS  12          2HE       LYS  12  -1.528   1.248  -1.623
   84   1HZ   LYS  12          1HZ       LYS  12  -3.775   0.649  -1.238
   85   2HZ   LYS  12          2HZ       LYS  12  -3.490  -0.979  -1.586
   86   3HZ   LYS  12          3HZ       LYS  12  -3.425   0.171  -2.820
   87    H    ARG  13           H        ARG  13   2.219   3.434  -3.423
   88    HA   ARG  13           HA       ARG  13   3.390   3.565  -6.083
   89   1HB   ARG  13          1HB       ARG  13   3.158   5.883  -6.418
   90   2HB   ARG  13          2HB       ARG  13   1.562   5.326  -5.937
   91   1HG   ARG  13          1HG       ARG  13   1.752   6.271  -3.803
   92   2HG   ARG  13          2HG       ARG  13   3.498   6.478  -3.959
   93   1HD   ARG  13          1HD       ARG  13   1.364   7.956  -5.497
   94   2HD   ARG  13          2HD       ARG  13   2.379   8.615  -4.213
   95    HE   ARG  13           HE       ARG  13   4.131   7.681  -6.104
   96   1HH1  ARG  13          1HH1      ARG  13   1.506   9.971  -6.057
   97   2HH1  ARG  13          2HH1      ARG  13   2.184  10.968  -7.300
   98   1HH2  ARG  13          1HH2      ARG  13   5.030   8.984  -7.741
   99   2HH2  ARG  13          2HH2      ARG  13   4.188  10.407  -8.259
  100    H    THR  14           H        THR  14   5.498   4.357  -6.139
  101    HA   THR  14           HA       THR  14   6.741   4.686  -3.490
  102    HB   THR  14           HB       THR  14   8.779   3.662  -4.384
  103    HG1  THR  14           HG1      THR  14   8.965   3.143  -6.453
  104   1HG2  THR  14          1HG2      THR  14   7.968   1.359  -4.556
  105   2HG2  THR  14          2HG2      THR  14   6.328   1.952  -4.818
  106   3HG2  THR  14          3HG2      THR  14   7.131   2.234  -3.274
  107    H    ASP  15           H        ASP  15   6.626   6.920  -3.543
  108    HA   ASP  15           HA       ASP  15   7.974   8.356  -5.694
  109   1HB   ASP  15          1HB       ASP  15   5.879   9.298  -4.910
  110   2HB   ASP  15          2HB       ASP  15   6.457   9.299  -3.247
  111    H    SER  16           H        SER  16   9.796   9.740  -5.287
  112    HA   SER  16           HA       SER  16  11.806   8.631  -3.676
  113   1HB   SER  16          1HB       SER  16  12.071  10.353  -5.586
  114   2HB   SER  16          2HB       SER  16  11.696  11.589  -4.391
  115    HG   SER  16           HG       SER  16  13.493  10.845  -3.178
  116    H    ASN  17           H        ASN  17   9.171  10.652  -2.602
  117    HA   ASN  17           HA       ASN  17  10.258  11.524  -0.206
  118   1HB   ASN  17          1HB       ASN  17   7.729  11.441  -0.695
  119   2HB   ASN  17          2HB       ASN  17   7.799   9.711  -0.376
  120   1HD2  ASN  17          1HD2      ASN  17   9.705  12.032   1.385
  121   2HD2  ASN  17          2HD2      ASN  17   8.863  11.879   2.886
  122    H    GLY  18           H        GLY  18  10.036   8.913  -2.039
  123   1HA   GLY  18          1HA       GLY  18  10.859   6.889  -2.288
  124   2HA   GLY  18          2HA       GLY  18  12.195   7.465  -1.333
  125    H    ARG  19           H        ARG  19   8.861   6.607  -0.994
  126    HA   ARG  19           HA       ARG  19   9.426   4.538   1.008
  127   1HB   ARG  19          1HB       ARG  19   8.611   6.933   1.911
  128   2HB   ARG  19          2HB       ARG  19   7.051   6.239   1.492
  129   1HG   ARG  19          1HG       ARG  19   7.727   5.925   3.865
  130   2HG   ARG  19          2HG       ARG  19   7.336   4.440   2.999
  131   1HD   ARG  19          1HD       ARG  19   9.683   3.951   2.698
  132   2HD   ARG  19          2HD       ARG  19  10.129   5.494   3.424
  133    HE   ARG  19           HE       ARG  19   8.556   3.990   5.225
  134   1HH1  ARG  19          1HH1      ARG  19  11.748   4.099   3.833
  135   2HH1  ARG  19          2HH1      ARG  19  12.505   3.337   5.192
  136   1HH2  ARG  19          1HH2      ARG  19   9.542   2.990   7.017
  137   2HH2  ARG  19          2HH2      ARG  19  11.251   2.705   7.003
  138    H    VAL  20           H        VAL  20   7.794   2.954   1.152
  139    HA   VAL  20           HA       VAL  20   6.123   2.787  -1.260
  140    HB   VAL  20           HB       VAL  20   5.985   0.372  -0.799
  141   1HG1  VAL  20          1HG1      VAL  20   7.761   1.198  -2.243
  142   2HG1  VAL  20          2HG1      VAL  20   8.322  -0.184  -1.302
  143   3HG1  VAL  20          3HG1      VAL  20   8.804   1.448  -0.843
  144   1HG2  VAL  20          1HG2      VAL  20   7.477  -0.600   0.935
  145   2HG2  VAL  20          2HG2      VAL  20   6.158   0.363   1.601
  146   3HG2  VAL  20          3HG2      VAL  20   7.788   1.032   1.528
  147    H    TYR  21           H        TYR  21   4.284   3.903  -0.670
  148    HA   TYR  21           HA       TYR  21   2.982   3.098   1.829
  149   1HB   TYR  21          1HB       TYR  21   2.216   5.174   2.051
  150   2HB   TYR  21          2HB       TYR  21   3.442   5.587   0.864
  151    HD1  TYR  21           HD1      TYR  21  -0.161   4.816   1.273
  152    HD2  TYR  21           HD2      TYR  21   2.858   6.437  -1.260
  153    HE1  TYR  21           HE1      TYR  21  -1.893   5.699  -0.226
  154    HE2  TYR  21           HE2      TYR  21   1.125   7.326  -2.762
  155    HH   TYR  21           HH       TYR  21  -2.146   7.495  -1.899
  156    H    PHE  22           H        PHE  22   0.751   2.619   1.924
  157    HA   PHE  22           HA       PHE  22  -0.293   1.525  -0.592
  158   1HB   PHE  22          1HB       PHE  22  -0.245   0.361   2.169
  159   2HB   PHE  22          2HB       PHE  22  -1.502  -0.115   1.032
  160    HD1  PHE  22           HD1      PHE  22   2.096   0.635   0.640
  161    HD2  PHE  22           HD2      PHE  22  -1.009  -2.265   0.199
  162    HE1  PHE  22           HE1      PHE  22   3.670  -0.903  -0.439
  163    HE2  PHE  22           HE2      PHE  22   0.567  -3.779  -0.874
  164    HZ   PHE  22           HZ       PHE  22   2.884  -3.093  -1.190
  165    H    VAL  23           H        VAL  23  -2.083   2.392  -1.277
  166    HA   VAL  23           HA       VAL  23  -3.904   3.613   0.672
  167    HB   VAL  23           HB       VAL  23  -2.939   4.560  -1.858
  168   1HG1  VAL  23          1HG1      VAL  23  -5.093   5.271  -2.857
  169   2HG1  VAL  23          2HG1      VAL  23  -5.932   4.211  -1.726
  170   3HG1  VAL  23          3HG1      VAL  23  -4.837   3.529  -2.927
  171   1HG2  VAL  23          1HG2      VAL  23  -3.822   6.625  -1.121
  172   2HG2  VAL  23          2HG2      VAL  23  -3.280   5.773   0.326
  173   3HG2  VAL  23          3HG2      VAL  23  -4.997   5.832  -0.074
  174    H    ASN  24           H        ASN  24  -4.963   1.765   1.268
  175    HA   ASN  24           HA       ASN  24  -6.504   0.394  -0.839
  176   1HB   ASN  24          1HB       ASN  24  -5.013  -1.102   0.437
  177   2HB   ASN  24          2HB       ASN  24  -5.771  -0.584   1.937
  178   1HD2  ASN  24          1HD2      ASN  24  -7.471  -1.134  -1.069
  179   2HD2  ASN  24          2HD2      ASN  24  -8.356  -2.519  -0.539
  180    H    HIS  25           H        HIS  25  -8.656   0.820  -0.857
  181    HA   HIS  25           HA       HIS  25  -9.694   1.928   1.664
  182   1HB   HIS  25          1HB       HIS  25 -10.476   2.757  -1.130
  183   2HB   HIS  25          2HB       HIS  25 -11.191   3.371   0.356
  184    HD1  HIS  25           HD1      HIS  25 -10.199   5.474   1.190
  185    HD2  HIS  25           HD2      HIS  25  -7.549   3.365  -1.216
  186    HE1  HIS  25           HE1      HIS  25  -8.174   6.947   0.971
  187    HE2  HIS  25           HE2      HIS  25  -6.644   5.709  -0.602
  188    H    ASN  26           H        ASN  26 -10.318  -0.208   2.175
  189    HA   ASN  26           HA       ASN  26 -12.757  -1.143   0.861
  190   1HB   ASN  26          1HB       ASN  26 -12.634  -2.973   2.622
  191   2HB   ASN  26          2HB       ASN  26 -11.277  -2.944   1.501
  192   1HD2  ASN  26          1HD2      ASN  26  -9.281  -2.031   2.229
  193   2HD2  ASN  26          2HD2      ASN  26  -8.884  -2.052   3.910
  194    H    THR  27           H        THR  27 -11.933  -1.060   4.250
  195    HA   THR  27           HA       THR  27 -14.300   0.512   4.893
  196    HB   THR  27           HB       THR  27 -12.274  -0.848   6.698
  197    HG1  THR  27           HG1      THR  27 -14.560  -1.949   7.081
  198   1HG2  THR  27          1HG2      THR  27 -13.238   1.102   7.791
  199   2HG2  THR  27          2HG2      THR  27 -13.877  -0.376   8.508
  200   3HG2  THR  27          3HG2      THR  27 -14.863   0.552   7.379
  201    H    ARG  28           H        ARG  28 -11.086   0.462   6.331
  202    HA   ARG  28           HA       ARG  28 -10.435   3.149   5.456
  203   1HB   ARG  28          1HB       ARG  28 -11.757   3.531   7.504
  204   2HB   ARG  28          2HB       ARG  28 -10.678   2.466   8.396
  205   1HG   ARG  28          1HG       ARG  28 -10.053   4.695   8.899
  206   2HG   ARG  28          2HG       ARG  28  -8.810   4.031   7.838
  207   1HD   ARG  28          1HD       ARG  28  -9.849   5.150   5.925
  208   2HD   ARG  28          2HD       ARG  28 -11.091   5.813   6.988
  209    HE   ARG  28           HE       ARG  28  -8.252   6.456   7.410
  210   1HH1  ARG  28          1HH1      ARG  28 -11.537   7.433   6.790
  211   2HH1  ARG  28          2HH1      ARG  28 -11.214   9.120   7.009
  212   1HH2  ARG  28          1HH2      ARG  28  -7.815   8.675   7.701
  213   2HH2  ARG  28          2HH2      ARG  28  -9.096   9.828   7.525
  214    H    ILE  29           H        ILE  29  -8.605   2.140   4.390
  215    HA   ILE  29           HA       ILE  29  -6.591   1.126   6.300
  216    HB   ILE  29           HB       ILE  29  -7.170   0.099   3.527
  217   1HG1  ILE  29          1HG1      ILE  29  -8.623  -0.757   5.328
  218   2HG1  ILE  29          2HG1      ILE  29  -7.581  -2.018   4.676
  219   1HG2  ILE  29          1HG2      ILE  29  -4.762   0.250   3.847
  220   2HG2  ILE  29          2HG2      ILE  29  -5.287  -1.433   3.859
  221   3HG2  ILE  29          3HG2      ILE  29  -4.898  -0.620   5.375
  222   1HD1  ILE  29          1HD1      ILE  29  -7.741  -2.155   7.095
  223   2HD1  ILE  29          2HD1      ILE  29  -7.125  -0.508   7.238
  224   3HD1  ILE  29          3HD1      ILE  29  -6.093  -1.783   6.589
  225    H    TPO  30           H        TPO  30  -4.816   2.299   6.395
  226    HA   TPO  30           HA       TPO  30  -3.612   3.375   3.978
  227    HB   TPO  30           HB       TPO  30  -4.911   5.278   4.535
  228   1HG2  TPO  30          1HG2      TPO  30  -3.898   5.004   7.368
  229   2HG2  TPO  30          2HG2      TPO  30  -5.530   4.626   6.821
  230   3HG2  TPO  30          3HG2      TPO  30  -4.943   6.288   6.765
  231    H    GLN  31           H        GLN  31  -1.846   2.107   4.255
  232    HA   GLN  31           HA       GLN  31   0.051   2.899   6.320
  233   1HB   GLN  31          1HB       GLN  31   0.389   0.151   6.279
  234   2HB   GLN  31          2HB       GLN  31  -0.343   1.070   7.576
  235   1HG   GLN  31          1HG       GLN  31  -1.977  -0.473   7.224
  236   2HG   GLN  31          2HG       GLN  31  -2.510   0.781   6.108
  237   1HE2  GLN  31          1HE2      GLN  31  -0.225   0.131   4.307
  238   2HE2  GLN  31          2HE2      GLN  31  -0.711  -1.298   3.470
  239    H    TRP  32           H        TRP  32   2.289   2.427   5.653
  240    HA   TRP  32           HA       TRP  32   2.392   1.959   2.761
  241   1HB   TRP  32          1HB       TRP  32   4.864   2.384   4.366
  242   2HB   TRP  32          2HB       TRP  32   4.424   3.030   2.789
  243    HD1  TRP  32           HD1      TRP  32   2.702   3.526   6.250
  244    HE1  TRP  32           HE1      TRP  32   2.459   6.058   6.640
  245    HE3  TRP  32           HE3      TRP  32   5.039   5.214   2.040
  246    HZ2  TRP  32           HZ2      TRP  32   3.174   8.459   5.333
  247    HZ3  TRP  32           HZ3      TRP  32   5.212   7.629   1.680
  248    HH2  TRP  32           HH2      TRP  32   4.307   9.227   3.291
  249    H    GLU  33           H        GLU  33   1.733  -0.344   3.156
  250    HA   GLU  33           HA       GLU  33   4.090  -1.994   3.102
  251   1HB   GLU  33          1HB       GLU  33   3.750  -2.039   5.476
  252   2HB   GLU  33          2HB       GLU  33   2.042  -2.429   5.266
  253   1HG   GLU  33          1HG       GLU  33   3.154  -4.425   3.846
  254   2HG   GLU  33          2HG       GLU  33   4.419  -4.155   5.053
  255    H    ASP  34           H        ASP  34   3.784  -4.071   2.173
  256    HA   ASP  34           HA       ASP  34   1.504  -4.386   0.496
  257   1HB   ASP  34          1HB       ASP  34   2.342  -6.688   0.121
  258   2HB   ASP  34          2HB       ASP  34   3.647  -5.513  -0.019
  259    HA   PRO  35           HA       PRO  35  -1.026  -5.833   3.882
  260   1HB   PRO  35          1HB       PRO  35  -3.262  -6.163   2.126
  261   2HB   PRO  35          2HB       PRO  35  -2.881  -4.780   3.157
  262   1HG   PRO  35          1HG       PRO  35  -2.862  -4.638   0.445
  263   2HG   PRO  35          2HG       PRO  35  -1.811  -3.645   1.462
  264   1HD   PRO  35          1HD       PRO  35  -1.168  -6.296   0.182
  265   2HD   PRO  35          2HD       PRO  35  -0.275  -4.775   0.016
  266    H    ARG  36           H        ARG  36   0.515  -7.946   3.258
  267    HA   ARG  36           HA       ARG  36  -0.559 -10.151   1.991
  268   1HB   ARG  36          1HB       ARG  36   1.046 -11.450   3.083
  269   2HB   ARG  36          2HB       ARG  36   1.763  -9.845   3.051
  270   1HG   ARG  36          1HG       ARG  36   0.267 -10.956   5.412
  271   2HG   ARG  36          2HG       ARG  36   2.014 -11.080   5.206
  272   1HD   ARG  36          1HD       ARG  36   1.600  -9.204   6.607
  273   2HD   ARG  36          2HD       ARG  36   2.076  -8.581   5.028
  274    HE   ARG  36           HE       ARG  36  -0.447  -8.363   4.681
  275   1HH1  ARG  36          1HH1      ARG  36   1.141  -8.030   7.759
  276   2HH1  ARG  36          2HH1      ARG  36  -0.046  -6.945   8.400
  277   1HH2  ARG  36          1HH2      ARG  36  -2.015  -6.931   5.511
  278   2HH2  ARG  36          2HH2      ARG  36  -1.841  -6.321   7.123
  279    H    SER  37           H        SER  37  -1.565  -8.687   4.926
  280    HA   SER  37           HA       SER  37  -3.843 -10.353   5.146
  281   1HB   SER  37          1HB       SER  37  -3.346 -11.399   7.325
  282   2HB   SER  37          2HB       SER  37  -2.232 -11.951   6.073
  283    HG   SER  37           HG       SER  37  -1.146  -9.816   7.155
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1   1.759  -6.474 -11.502
    2   2H    GLY   1          2H        GLY   1   2.502  -6.827 -10.024
    3   3H    GLY   1          3H        GLY   1   1.191  -7.755 -10.554
    4   1HA   GLY   1          1HA       GLY   1   2.487  -8.572 -12.426
    5   2HA   GLY   1          2HA       GLY   1   3.849  -7.613 -11.868
    6    H    ALA   2           H        ALA   2   1.688 -10.264 -10.963
    7    HA   ALA   2           HA       ALA   2   2.134 -12.241  -9.909
    8   1HB   ALA   2          1HB       ALA   2   4.271 -12.265 -11.095
    9   2HB   ALA   2          2HB       ALA   2   4.433 -12.914  -9.463
   10   3HB   ALA   2          3HB       ALA   2   4.991 -11.280  -9.821
   11    H    MET   3           H        MET   3   4.715 -10.586  -8.202
   12    HA   MET   3           HA       MET   3   2.967 -10.325  -5.850
   13   1HB   MET   3          1HB       MET   3   4.867 -11.050  -4.429
   14   2HB   MET   3          2HB       MET   3   4.293 -12.314  -5.508
   15   1HG   MET   3          1HG       MET   3   6.703 -10.583  -6.008
   16   2HG   MET   3          2HG       MET   3   6.745 -12.214  -5.342
   17   1HE   MET   3          1HE       MET   3   8.173 -12.854  -8.896
   18   2HE   MET   3          2HE       MET   3   8.403 -13.065  -7.161
   19   3HE   MET   3          3HE       MET   3   8.477 -11.453  -7.870
   20    H    GLY   4           H        GLY   4   4.703  -9.210  -4.071
   21   1HA   GLY   4          1HA       GLY   4   6.082  -7.354  -3.655
   22   2HA   GLY   4          2HA       GLY   4   6.037  -6.968  -5.368
   23    HA   PRO   5           HA       PRO   5   3.840  -3.481  -3.101
   24   1HB   PRO   5          1HB       PRO   5   3.932  -2.875  -6.040
   25   2HB   PRO   5          2HB       PRO   5   4.153  -1.791  -4.662
   26   1HG   PRO   5          1HG       PRO   5   6.221  -2.866  -6.105
   27   2HG   PRO   5          2HG       PRO   5   6.353  -2.342  -4.420
   28   1HD   PRO   5          1HD       PRO   5   6.513  -5.023  -5.485
   29   2HD   PRO   5          2HD       PRO   5   6.731  -4.488  -3.809
   30    H    LEU   6           H        LEU   6   1.767  -3.266  -2.881
   31    HA   LEU   6           HA       LEU   6  -0.419  -3.682  -2.933
   32   1HB   LEU   6          1HB       LEU   6  -0.332  -3.815  -5.927
   33   2HB   LEU   6          2HB       LEU   6  -1.610  -3.207  -4.919
   34    HG   LEU   6           HG       LEU   6  -0.239  -1.249  -4.368
   35   1HD1  LEU   6          1HD1      LEU   6   1.722  -2.587  -6.198
   36   2HD1  LEU   6          2HD1      LEU   6   1.919  -2.117  -4.511
   37   3HD1  LEU   6          3HD1      LEU   6   1.804  -0.879  -5.757
   38   1HD2  LEU   6          1HD2      LEU   6  -1.772  -1.359  -6.395
   39   2HD2  LEU   6          2HD2      LEU   6  -0.319  -1.607  -7.358
   40   3HD2  LEU   6          3HD2      LEU   6  -0.520  -0.120  -6.431
   41    HA   PRO   7           HA       PRO   7   0.324  -8.115  -3.550
   42   1HB   PRO   7          1HB       PRO   7  -0.813  -8.059  -0.831
   43   2HB   PRO   7          2HB       PRO   7   0.604  -8.952  -1.416
   44   1HG   PRO   7          1HG       PRO   7   0.952  -6.797   0.104
   45   2HG   PRO   7          2HG       PRO   7   1.990  -7.048  -1.316
   46   1HD   PRO   7          1HD       PRO   7  -0.438  -5.290  -1.045
   47   2HD   PRO   7          2HD       PRO   7   1.126  -4.876  -1.767
   48    HA   PRO   8           HA       PRO   8  -4.415  -8.140  -2.975
   49   1HB   PRO   8          1HB       PRO   8  -5.189  -6.061  -1.203
   50   2HB   PRO   8          2HB       PRO   8  -5.088  -7.783  -0.815
   51   1HG   PRO   8          1HG       PRO   8  -3.489  -5.778   0.269
   52   2HG   PRO   8          2HG       PRO   8  -3.120  -7.507   0.286
   53   1HD   PRO   8          1HD       PRO   8  -2.088  -5.403  -1.589
   54   2HD   PRO   8          2HD       PRO   8  -1.262  -6.764  -0.860
   55    H    GLY   9           H        GLY   9  -6.376  -6.348  -3.170
   56   1HA   GLY   9          1HA       GLY   9  -5.707  -4.736  -5.434
   57   2HA   GLY   9          2HA       GLY   9  -7.229  -4.672  -4.542
   58    H    TRP  10           H        TRP  10  -4.041  -3.303  -4.888
   59    HA   TRP  10           HA       TRP  10  -4.765  -1.253  -2.880
   60   1HB   TRP  10          1HB       TRP  10  -2.204  -2.782  -3.267
   61   2HB   TRP  10          2HB       TRP  10  -2.217  -1.280  -2.359
   62    HD1  TRP  10           HD1      TRP  10  -4.065  -4.588  -2.498
   63    HE1  TRP  10           HE1      TRP  10  -4.861  -5.283  -0.164
   64    HE3  TRP  10           HE3      TRP  10  -2.238  -0.661   0.127
   65    HZ2  TRP  10           HZ2      TRP  10  -4.634  -4.358   2.453
   66    HZ3  TRP  10           HZ3      TRP  10  -2.484  -0.715   2.587
   67    HH2  TRP  10           HH2      TRP  10  -3.660  -2.500   3.690
   68    H    GLU  11           H        GLU  11  -4.121   0.812  -3.157
   69    HA   GLU  11           HA       GLU  11  -3.054   1.551  -5.791
   70   1HB   GLU  11          1HB       GLU  11  -5.148   2.679  -5.213
   71   2HB   GLU  11          2HB       GLU  11  -4.461   3.219  -3.684
   72   1HG   GLU  11          1HG       GLU  11  -3.008   3.973  -6.142
   73   2HG   GLU  11          2HG       GLU  11  -4.559   4.749  -5.860
   74    H    LYS  12           H        LYS  12  -0.968   1.132  -5.447
   75    HA   LYS  12           HA       LYS  12   0.349   2.368  -3.146
   76   1HB   LYS  12          1HB       LYS  12   0.956  -0.098  -4.677
   77   2HB   LYS  12          2HB       LYS  12   2.168   0.643  -3.640
   78   1HG   LYS  12          1HG       LYS  12   0.783   0.404  -1.741
   79   2HG   LYS  12          2HG       LYS  12  -0.537  -0.235  -2.720
   80   1HD   LYS  12          1HD       LYS  12   0.864  -1.904  -1.606
   81   2HD   LYS  12          2HD       LYS  12   0.697  -2.115  -3.326
   82   1HE   LYS  12          1HE       LYS  12   3.075  -2.318  -2.254
   83   2HE   LYS  12          2HE       LYS  12   2.867  -1.464  -3.773
   84   1HZ   LYS  12          1HZ       LYS  12   2.628   0.107  -1.329
   85   2HZ   LYS  12          2HZ       LYS  12   3.288   0.529  -2.828
   86   3HZ   LYS  12          3HZ       LYS  12   4.177  -0.425  -1.752
   87    H    ARG  13           H        ARG  13   2.427   2.999  -3.274
   88    HA   ARG  13           HA       ARG  13   3.496   3.748  -5.870
   89   1HB   ARG  13          1HB       ARG  13   2.153   5.626  -5.808
   90   2HB   ARG  13          2HB       ARG  13   2.258   5.775  -4.061
   91   1HG   ARG  13          1HG       ARG  13   4.278   6.866  -4.137
   92   2HG   ARG  13          2HG       ARG  13   4.712   6.176  -5.702
   93   1HD   ARG  13          1HD       ARG  13   4.162   8.605  -5.773
   94   2HD   ARG  13          2HD       ARG  13   3.170   7.608  -6.836
   95    HE   ARG  13           HE       ARG  13   1.675   7.770  -4.595
   96   1HH1  ARG  13          1HH1      ARG  13   3.266  10.161  -6.564
   97   2HH1  ARG  13          2HH1      ARG  13   2.095  11.396  -6.242
   98   1HH2  ARG  13          1HH2      ARG  13   0.122   9.390  -4.167
   99   2HH2  ARG  13          2HH2      ARG  13   0.309  10.958  -4.879
  100    H    THR  14           H        THR  14   5.633   4.343  -5.872
  101    HA   THR  14           HA       THR  14   7.027   4.330  -3.285
  102    HB   THR  14           HB       THR  14   7.322   2.102  -4.157
  103    HG1  THR  14           HG1      THR  14   9.619   2.129  -4.373
  104   1HG2  THR  14          1HG2      THR  14   8.348   1.704  -6.361
  105   2HG2  THR  14          2HG2      THR  14   8.275   3.434  -6.695
  106   3HG2  THR  14          3HG2      THR  14   6.785   2.511  -6.494
  107    H    ASP  15           H        ASP  15   7.458   6.494  -3.312
  108    HA   ASP  15           HA       ASP  15   9.027   7.544  -5.577
  109   1HB   ASP  15          1HB       ASP  15   6.902   8.730  -5.153
  110   2HB   ASP  15          2HB       ASP  15   7.424   9.063  -3.504
  111    H    SER  16           H        SER  16  10.899   8.816  -5.120
  112    HA   SER  16           HA       SER  16  12.627   7.836  -3.183
  113   1HB   SER  16          1HB       SER  16  13.970   9.920  -3.517
  114   2HB   SER  16          2HB       SER  16  13.448   9.225  -5.051
  115    HG   SER  16           HG       SER  16  11.756  11.103  -3.907
  116    H    ASN  17           H        ASN  17   9.966  10.021  -2.565
  117    HA   ASN  17           HA       ASN  17  10.805  11.048  -0.141
  118   1HB   ASN  17          1HB       ASN  17   8.351   9.244  -0.446
  119   2HB   ASN  17          2HB       ASN  17   8.607  10.434   0.825
  120   1HD2  ASN  17          1HD2      ASN  17   9.728  12.375  -1.068
  121   2HD2  ASN  17          2HD2      ASN  17   8.377  13.017  -1.932
  122    H    GLY  18           H        GLY  18  10.739   8.296  -1.779
  123   1HA   GLY  18          1HA       GLY  18  11.502   6.226  -1.747
  124   2HA   GLY  18          2HA       GLY  18  12.773   6.881  -0.751
  125    H    ARG  19           H        ARG  19   9.389   6.235  -0.527
  126    HA   ARG  19           HA       ARG  19   9.733   4.373   1.723
  127   1HB   ARG  19          1HB       ARG  19   8.896   6.901   2.208
  128   2HB   ARG  19          2HB       ARG  19   7.365   6.137   1.806
  129   1HG   ARG  19          1HG       ARG  19   8.005   6.220   4.252
  130   2HG   ARG  19          2HG       ARG  19   7.477   4.667   3.604
  131   1HD   ARG  19          1HD       ARG  19   9.508   4.610   5.107
  132   2HD   ARG  19          2HD       ARG  19   9.693   3.839   3.532
  133    HE   ARG  19           HE       ARG  19  10.790   6.011   2.858
  134   1HH1  ARG  19          1HH1      ARG  19  10.806   4.862   6.148
  135   2HH1  ARG  19          2HH1      ARG  19  12.293   5.653   6.552
  136   1HH2  ARG  19          1HH2      ARG  19  12.748   7.052   3.379
  137   2HH2  ARG  19          2HH2      ARG  19  13.398   6.897   4.977
  138    H    VAL  20           H        VAL  20   8.058   2.835   1.893
  139    HA   VAL  20           HA       VAL  20   6.603   2.419  -0.625
  140    HB   VAL  20           HB       VAL  20   6.832   0.413   1.599
  141   1HG1  VAL  20          1HG1      VAL  20   6.443   0.119  -1.375
  142   2HG1  VAL  20          2HG1      VAL  20   5.190  -0.037  -0.142
  143   3HG1  VAL  20          3HG1      VAL  20   6.513  -1.202  -0.208
  144   1HG2  VAL  20          1HG2      VAL  20   8.799   0.834  -0.648
  145   2HG2  VAL  20          2HG2      VAL  20   8.801  -0.527   0.474
  146   3HG2  VAL  20          3HG2      VAL  20   9.103   1.107   1.068
  147    H    TYR  21           H        TYR  21   4.782   3.635  -0.396
  148    HA   TYR  21           HA       TYR  21   3.221   3.303   2.052
  149   1HB   TYR  21          1HB       TYR  21   2.474   5.408   1.832
  150   2HB   TYR  21          2HB       TYR  21   3.940   5.580   0.890
  151    HD1  TYR  21           HD1      TYR  21   0.412   4.467   0.250
  152    HD2  TYR  21           HD2      TYR  21   3.744   6.780  -1.043
  153    HE1  TYR  21           HE1      TYR  21  -0.888   5.257  -1.684
  154    HE2  TYR  21           HE2      TYR  21   2.449   7.579  -2.972
  155    HH   TYR  21           HH       TYR  21  -0.894   7.202  -3.229
  156    H    PHE  22           H        PHE  22   0.983   2.931   2.015
  157    HA   PHE  22           HA       PHE  22   0.015   1.612  -0.427
  158   1HB   PHE  22          1HB       PHE  22  -0.022   0.662   2.415
  159   2HB   PHE  22          2HB       PHE  22  -1.261   0.123   1.295
  160    HD1  PHE  22           HD1      PHE  22   2.386   0.719   0.984
  161    HD2  PHE  22           HD2      PHE  22  -0.820  -2.059   0.598
  162    HE1  PHE  22           HE1      PHE  22   3.933  -0.946   0.096
  163    HE2  PHE  22           HE2      PHE  22   0.734  -3.716  -0.297
  164    HZ   PHE  22           HZ       PHE  22   3.088  -3.128  -0.573
  165    H    VAL  23           H        VAL  23  -1.953   2.111  -1.097
  166    HA   VAL  23           HA       VAL  23  -3.697   3.633   0.718
  167    HB   VAL  23           HB       VAL  23  -3.125   4.096  -2.200
  168   1HG1  VAL  23          1HG1      VAL  23  -5.552   3.918  -1.999
  169   2HG1  VAL  23          2HG1      VAL  23  -5.066   5.587  -2.296
  170   3HG1  VAL  23          3HG1      VAL  23  -5.536   5.081  -0.673
  171   1HG2  VAL  23          1HG2      VAL  23  -2.790   6.376  -1.504
  172   2HG2  VAL  23          2HG2      VAL  23  -1.845   5.317  -0.457
  173   3HG2  VAL  23          3HG2      VAL  23  -3.361   6.004   0.123
  174    H    ASN  24           H        ASN  24  -4.814   1.816   1.351
  175    HA   ASN  24           HA       ASN  24  -6.618   0.721  -0.686
  176   1HB   ASN  24          1HB       ASN  24  -5.007  -1.043  -0.375
  177   2HB   ASN  24          2HB       ASN  24  -5.073  -0.867   1.377
  178   1HD2  ASN  24          1HD2      ASN  24  -5.642  -3.143  -0.484
  179   2HD2  ASN  24          2HD2      ASN  24  -7.212  -3.696  -0.026
  180    H    HIS  25           H        HIS  25  -8.725   0.607   0.007
  181    HA   HIS  25           HA       HIS  25  -9.186   0.801   2.856
  182   1HB   HIS  25          1HB       HIS  25 -10.491   2.866   2.729
  183   2HB   HIS  25          2HB       HIS  25  -8.815   3.124   2.249
  184    HD1  HIS  25           HD1      HIS  25 -12.229   3.660   1.137
  185    HD2  HIS  25           HD2      HIS  25  -8.509   3.270  -0.672
  186    HE1  HIS  25           HE1      HIS  25 -12.511   4.582  -1.185
  187    HE2  HIS  25           HE2      HIS  25 -10.278   4.228  -2.297
  188    H    ASN  26           H        ASN  26 -10.335  -1.227   2.558
  189    HA   ASN  26           HA       ASN  26 -12.546  -1.541   0.901
  190   1HB   ASN  26          1HB       ASN  26 -11.755  -3.335   2.472
  191   2HB   ASN  26          2HB       ASN  26 -12.373  -2.390   3.824
  192   1HD2  ASN  26          1HD2      ASN  26 -14.023  -2.528   0.770
  193   2HD2  ASN  26          2HD2      ASN  26 -15.361  -3.483   1.307
  194    H    THR  27           H        THR  27 -12.452  -0.438   4.251
  195    HA   THR  27           HA       THR  27 -14.707   1.359   3.815
  196    HB   THR  27           HB       THR  27 -13.111   1.001   6.366
  197    HG1  THR  27           HG1      THR  27 -15.575  -0.297   5.893
  198   1HG2  THR  27          1HG2      THR  27 -14.607   2.990   6.138
  199   2HG2  THR  27          2HG2      THR  27 -15.050   1.906   7.456
  200   3HG2  THR  27          3HG2      THR  27 -15.966   1.884   5.950
  201    H    ARG  28           H        ARG  28 -11.813   1.886   5.788
  202    HA   ARG  28           HA       ARG  28 -10.693   3.827   3.962
  203   1HB   ARG  28          1HB       ARG  28 -10.740   5.705   5.505
  204   2HB   ARG  28          2HB       ARG  28 -12.375   5.169   5.145
  205   1HG   ARG  28          1HG       ARG  28 -10.934   4.227   7.597
  206   2HG   ARG  28          2HG       ARG  28 -11.799   5.764   7.564
  207   1HD   ARG  28          1HD       ARG  28 -12.980   3.055   6.958
  208   2HD   ARG  28          2HD       ARG  28 -13.193   3.963   8.455
  209    HE   ARG  28           HE       ARG  28 -14.141   4.958   5.847
  210   1HH1  ARG  28          1HH1      ARG  28 -14.593   4.352   9.245
  211   2HH1  ARG  28          2HH1      ARG  28 -16.162   5.082   9.300
  212   1HH2  ARG  28          1HH2      ARG  28 -16.207   5.923   5.906
  213   2HH2  ARG  28          2HH2      ARG  28 -17.082   5.973   7.400
  214    H    ILE  29           H        ILE  29  -8.613   2.770   3.963
  215    HA   ILE  29           HA       ILE  29  -7.202   3.070   6.505
  216    HB   ILE  29           HB       ILE  29  -8.086   0.783   6.574
  217   1HG1  ILE  29          1HG1      ILE  29  -5.833   1.467   7.551
  218   2HG1  ILE  29          2HG1      ILE  29  -6.091  -0.257   7.304
  219   1HG2  ILE  29          1HG2      ILE  29  -6.392   0.303   4.132
  220   2HG2  ILE  29          2HG2      ILE  29  -8.155   0.343   4.176
  221   3HG2  ILE  29          3HG2      ILE  29  -7.279  -0.920   5.042
  222   1HD1  ILE  29          1HD1      ILE  29  -3.851   0.414   6.651
  223   2HD1  ILE  29          2HD1      ILE  29  -4.520   1.563   5.495
  224   3HD1  ILE  29          3HD1      ILE  29  -4.769  -0.165   5.261
  225    H    TPO  30           H        TPO  30  -5.061   3.532   6.348
  226    HA   TPO  30           HA       TPO  30  -3.686   3.132   3.811
  227    HB   TPO  30           HB       TPO  30  -2.874   5.491   3.771
  228   1HG2  TPO  30          1HG2      TPO  30  -4.904   6.424   2.770
  229   2HG2  TPO  30          2HG2      TPO  30  -5.862   5.138   3.506
  230   3HG2  TPO  30          3HG2      TPO  30  -4.661   4.748   2.273
  231    H    GLN  31           H        GLN  31  -1.755   2.374   4.178
  232    HA   GLN  31           HA       GLN  31  -0.060   3.376   6.331
  233   1HB   GLN  31          1HB       GLN  31   0.519   1.021   6.991
  234   2HB   GLN  31          2HB       GLN  31  -1.098   1.513   7.443
  235   1HG   GLN  31          1HG       GLN  31  -2.072   0.262   5.679
  236   2HG   GLN  31          2HG       GLN  31  -0.492  -0.051   4.960
  237   1HE2  GLN  31          1HE2      GLN  31   0.754  -0.533   7.549
  238   2HE2  GLN  31          2HE2      GLN  31   0.226  -2.099   8.052
  239    H    TRP  32           H        TRP  32   2.239   2.972   5.853
  240    HA   TRP  32           HA       TRP  32   2.582   2.324   3.019
  241   1HB   TRP  32          1HB       TRP  32   4.842   2.949   4.881
  242   2HB   TRP  32          2HB       TRP  32   4.655   3.360   3.180
  243    HD1  TRP  32           HD1      TRP  32   2.362   4.273   6.198
  244    HE1  TRP  32           HE1      TRP  32   2.061   6.831   6.186
  245    HE3  TRP  32           HE3      TRP  32   5.405   5.408   2.277
  246    HZ2  TRP  32           HZ2      TRP  32   3.006   9.045   4.696
  247    HZ3  TRP  32           HZ3      TRP  32   5.650   7.744   1.613
  248    HH2  TRP  32           HH2      TRP  32   4.486   9.539   2.794
  249    H    GLU  33           H        GLU  33   1.934   0.019   3.526
  250    HA   GLU  33           HA       GLU  33   4.353  -1.545   3.736
  251   1HB   GLU  33          1HB       GLU  33   3.852  -1.513   6.063
  252   2HB   GLU  33          2HB       GLU  33   2.153  -1.881   5.762
  253   1HG   GLU  33          1HG       GLU  33   3.188  -3.996   4.566
  254   2HG   GLU  33          2HG       GLU  33   4.526  -3.661   5.673
  255    H    ASP  34           H        ASP  34   4.201  -3.676   2.900
  256    HA   ASP  34           HA       ASP  34   2.065  -4.196   1.086
  257   1HB   ASP  34          1HB       ASP  34   3.011  -6.482   0.936
  258   2HB   ASP  34          2HB       ASP  34   4.288  -5.275   0.823
  259    HA   PRO  35           HA       PRO  35  -0.607  -5.400   4.443
  260   1HB   PRO  35          1HB       PRO  35  -2.722  -6.012   2.591
  261   2HB   PRO  35          2HB       PRO  35  -2.482  -4.548   3.543
  262   1HG   PRO  35          1HG       PRO  35  -2.297  -4.529   0.858
  263   2HG   PRO  35          2HG       PRO  35  -1.279  -3.495   1.869
  264   1HD   PRO  35          1HD       PRO  35  -0.606  -6.242   0.811
  265   2HD   PRO  35          2HD       PRO  35   0.282  -4.737   0.521
  266    H    ARG  36           H        ARG  36   1.081  -7.547   3.142
  267    HA   ARG  36           HA       ARG  36   1.219  -9.825   2.971
  268   1HB   ARG  36          1HB       ARG  36   0.717 -10.948   4.959
  269   2HB   ARG  36          2HB       ARG  36   0.930  -9.282   5.480
  270   1HG   ARG  36          1HG       ARG  36  -1.426  -8.955   5.647
  271   2HG   ARG  36          2HG       ARG  36  -1.750 -10.510   4.882
  272   1HD   ARG  36          1HD       ARG  36  -2.061 -11.003   7.115
  273   2HD   ARG  36          2HD       ARG  36  -0.380 -11.476   6.867
  274    HE   ARG  36           HE       ARG  36  -0.008  -9.027   7.731
  275   1HH1  ARG  36          1HH1      ARG  36  -2.297 -11.397   8.857
  276   2HH1  ARG  36          2HH1      ARG  36  -2.323 -10.794  10.481
  277   1HH2  ARG  36          1HH2      ARG  36  -0.034  -8.221   9.870
  278   2HH2  ARG  36          2HH2      ARG  36  -1.037  -8.987  11.056
  279    H    SER  37           H        SER  37  -1.200  -8.411   1.719
  280    HA   SER  37           HA       SER  37  -2.796  -9.146   0.242
  281   1HB   SER  37          1HB       SER  37  -2.293 -11.885   1.434
  282   2HB   SER  37          2HB       SER  37  -3.289 -11.551   0.018
  283    HG   SER  37           HG       SER  37  -0.850 -10.438  -0.255