1ppt.gro

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  391
    1GLY      N    1   0.230  -0.964   1.825
    1GLY     H1    2   0.296  -0.897   1.860
    1GLY     H2    3   0.172  -0.996   1.901
    1GLY     H3    4   0.278  -1.041   1.785
    1GLY     CA    5   0.147  -0.902   1.725
    1GLY      C    6   0.045  -0.998   1.670
    1GLY      O    7   0.021  -1.107   1.735
    2PRO      N    8  -0.017  -0.967   1.562
    2PRO     CA    9  -0.113  -1.061   1.496
    2PRO     CB   10  -0.172  -0.983   1.378
    2PRO     CG   11  -0.082  -0.868   1.355
    2PRO     CD   12   0.011  -0.845   1.478
    2PRO      C   13  -0.038  -1.182   1.449
    2PRO      O   14   0.078  -1.186   1.408
    3SER      N   15  -0.118  -1.292   1.457
    3SER      H   16  -0.211  -1.287   1.495
    3SER     CA   17  -0.063  -1.419   1.405
    3SER     CB   18  -0.136  -1.536   1.457
    3SER     OG   19  -0.266  -1.523   1.421
    3SER     HG   20  -0.317  -1.602   1.455
    3SER      C   21  -0.064  -1.419   1.249
    3SER      O   22  -0.115  -1.333   1.183
    4GLN      N   23   0.024  -1.500   1.196
    4GLN      H   24   0.075  -1.564   1.254
    4GLN     CA   25   0.049  -1.494   1.048
    4GLN     CB   26   0.164  -1.589   1.011
    4GLN     CG   27   0.218  -1.570   0.870
    4GLN     CD   28   0.331  -1.667   0.837
    4GLN    OE1   29   0.372  -1.676   0.721
    4GLN    NE2   30   0.386  -1.740   0.932
    4GLN   HE21   31   0.354  -1.732   1.026
    4GLN   HE22   32   0.460  -1.804   0.909
    4GLN      C   33  -0.077  -1.538   0.973
    4GLN      O   34  -0.133  -1.645   1.002
    5PRO      N   35  -0.120  -1.465   0.875
    5PRO     CA   36  -0.241  -1.497   0.809
    5PRO     CB   37  -0.280  -1.385   0.715
    5PRO     CG   38  -0.181  -1.275   0.744
    5PRO     CD   39  -0.077  -1.319   0.841
    5PRO      C   40  -0.226  -1.630   0.726
    5PRO      O   41  -0.118  -1.660   0.682
    6THR      N   42  -0.338  -1.692   0.717
    6THR      H   43  -0.417  -1.658   0.769
    6THR     CA   44  -0.355  -1.816   0.631
    6THR     CB   45  -0.475  -1.891   0.688
    6THR    OG1   46  -0.404  -1.950   0.807
    6THR    HG1   47  -0.468  -2.006   0.861
    6THR    CG2   48  -0.480  -2.026   0.606
    6THR      C   49  -0.375  -1.775   0.486
    6THR      O   50  -0.469  -1.704   0.452
    7TYR      N   51  -0.289  -1.821   0.395
    7TYR      H   52  -0.209  -1.871   0.427
    7TYR     CA   53  -0.306  -1.802   0.250
    7TYR     CB   54  -0.183  -1.859   0.179
    7TYR     CG   55  -0.191  -1.841   0.026
    7TYR    CD1   56  -0.203  -1.712  -0.028
    7TYR    HD1   57  -0.207  -1.633   0.032
    7TYR    CD2   58  -0.188  -1.952  -0.059
    7TYR    HD2   59  -0.182  -2.044  -0.020
    7TYR    CE1   60  -0.209  -1.695  -0.167
    7TYR    HE1   61  -0.217  -1.603  -0.206
    7TYR    CE2   62  -0.194  -1.934  -0.198
    7TYR    HE2   63  -0.192  -2.014  -0.258
    7TYR     CZ   64  -0.204  -1.806  -0.252
    7TYR     OH   65  -0.207  -1.788  -0.387
    7TYR     HH   66  -0.202  -1.876  -0.432
    7TYR      C   67  -0.433  -1.874   0.201
    7TYR      O   68  -0.454  -1.993   0.229
    8PRO      N   69  -0.526  -1.807   0.144
    8PRO     CA   70  -0.657  -1.863   0.100
    8PRO     CB   71  -0.749  -1.740   0.080
    8PRO     CG   72  -0.658  -1.631   0.043
    8PRO     CD   73  -0.523  -1.661   0.117
    8PRO      C   74  -0.649  -1.953  -0.019
    8PRO      O   75  -0.758  -2.024  -0.051
    9GLY      N   76  -0.538  -1.974  -0.086
    9GLY      H   77  -0.453  -1.926  -0.062
    9GLY     CA   78  -0.542  -2.073  -0.198
    9GLY      C   79  -0.526  -1.986  -0.321
    9GLY      O   80  -0.579  -1.878  -0.334
   10ASP      N   81  -0.463  -2.046  -0.425
   10ASP      H   82  -0.421  -2.136  -0.409
   10ASP     CA   83  -0.452  -1.987  -0.561
   10ASP     CB   84  -0.370  -2.077  -0.652
   10ASP     CG   85  -0.222  -2.089  -0.612
   10ASP    OD1   86  -0.152  -2.189  -0.654
   10ASP    OD2   87  -0.168  -2.001  -0.535
   10ASP      C   88  -0.589  -1.964  -0.623
   10ASP      O   89  -0.608  -1.870  -0.701
   11ASP      N   90  -0.681  -2.049  -0.592
   11ASP      H   91  -0.662  -2.120  -0.524
   11ASP     CA   92  -0.811  -2.041  -0.654
   11ASP     CB   93  -0.868  -2.181  -0.685
   11ASP     CG   94  -0.779  -2.257  -0.783
   11ASP    OD1   95  -0.740  -2.200  -0.891
   11ASP    OD2   96  -0.743  -2.378  -0.756
   11ASP      C   97  -0.914  -1.968  -0.569
   11ASP      O   98  -1.027  -1.945  -0.615
   12ALA      N   99  -0.861  -1.889  -0.477
   12ALA      H  100  -0.763  -1.881  -0.461
   12ALA     CA  101  -0.962  -1.813  -0.402
   12ALA     CB  102  -0.883  -1.758  -0.279
   12ALA      C  103  -1.010  -1.693  -0.482
   12ALA      O  104  -0.948  -1.647  -0.578
   13PRO      N  105  -1.137  -1.655  -0.469
   13PRO     CA  106  -1.198  -1.541  -0.547
   13PRO     CB  107  -1.342  -1.524  -0.491
   13PRO     CG  108  -1.350  -1.601  -0.366
   13PRO     CD  109  -1.224  -1.688  -0.348
   13PRO      C  110  -1.119  -1.412  -0.521
   13PRO      O  111  -1.052  -1.396  -0.403
   14VAL      N  112  -1.118  -1.319  -0.613
   14VAL      H  113  -1.172  -1.329  -0.696
   14VAL     CA  114  -1.034  -1.195  -0.591
   14VAL     CB  115  -1.048  -1.111  -0.716
   14VAL    CG1  116  -0.981  -0.975  -0.706
   14VAL    CG2  117  -1.001  -1.187  -0.843
   14VAL      C  118  -1.067  -1.123  -0.461
   14VAL      O  119  -0.973  -1.072  -0.390
   15GLU      N  120  -1.184  -1.132  -0.411
   15GLU      H  121  -1.254  -1.188  -0.455
   15GLU     CA  122  -1.214  -1.055  -0.285
   15GLU     CB  123  -1.371  -1.055  -0.259
   15GLU     CG  124  -1.421  -1.185  -0.196
   15GLU     CD  125  -1.556  -1.170  -0.125
   15GLU    OE1  126  -1.615  -1.273  -0.076
   15GLU    OE2  127  -1.611  -1.053  -0.116
   15GLU      C  128  -1.145  -1.117  -0.170
   15GLU      O  129  -1.117  -1.038  -0.076
   16ASP      N  130  -1.132  -1.250  -0.170
   16ASP      H  131  -1.180  -1.303  -0.239
   16ASP     CA  132  -1.049  -1.319  -0.072
   16ASP     CB  133  -1.071  -1.467  -0.064
   16ASP     CG  134  -1.211  -1.502  -0.015
   16ASP    OD1  135  -1.257  -1.621  -0.034
   16ASP    OD2  136  -1.282  -1.413   0.044
   16ASP      C  137  -0.900  -1.298  -0.096
   16ASP      O  138  -0.824  -1.284   0.001
   17LEU      N  139  -0.848  -1.279  -0.211
   17LEU      H  140  -0.901  -1.287  -0.295
   17LEU     CA  141  -0.703  -1.244  -0.213
   17LEU     CB  142  -0.665  -1.247  -0.363
   17LEU     CG  143  -0.652  -1.393  -0.406
   17LEU    CD1  144  -0.625  -1.392  -0.558
   17LEU    CD2  145  -0.537  -1.466  -0.326
   17LEU      C  146  -0.681  -1.098  -0.172
   17LEU      O  147  -0.581  -1.072  -0.116
   18ILE      N  148  -0.779  -1.008  -0.188
   18ILE      H  149  -0.862  -1.034  -0.236
   18ILE     CA  150  -0.768  -0.868  -0.135
   18ILE     CB  151  -0.882  -0.787  -0.196
   18ILE    CG1  152  -0.851  -0.756  -0.345
   18ILE    CG2  153  -0.897  -0.660  -0.112
   18ILE     CD  154  -0.964  -0.695  -0.412
   18ILE      C  155  -0.779  -0.875   0.018
   18ILE      O  156  -0.694  -0.810   0.082
   19ARG      N  157  -0.870  -0.954   0.077
   19ARG      H  158  -0.939  -1.004   0.024
   19ARG     CA  159  -0.864  -0.964   0.228
   19ARG     CB  160  -0.974  -1.058   0.260
   19ARG     CG  161  -1.101  -0.986   0.312
   19ARG     CD  162  -1.221  -1.074   0.360
   19ARG     NE  163  -1.324  -1.059   0.262
   19ARG     HE  164  -1.288  -1.079   0.171
   19ARG     CZ  165  -1.456  -1.026   0.252
   19ARG    NH1  166  -1.565  -0.993   0.345
   19ARG   HH11  167  -1.548  -0.992   0.444
   19ARG   HH12  168  -1.656  -0.972   0.310
   19ARG    NH2  169  -1.488  -1.017   0.133
   19ARG   HH21  170  -1.419  -1.033   0.062
   19ARG   HH22  171  -1.581  -0.993   0.108
   19ARG      C  172  -0.727  -1.018   0.272
   19ARG      O  173  -0.674  -0.980   0.377
   20PHE      N  174  -0.670  -1.122   0.213
   20PHE      H  175  -0.718  -1.165   0.136
   20PHE     CA  176  -0.544  -1.178   0.255
   20PHE     CB  177  -0.510  -1.297   0.165
   20PHE     CG  178  -0.371  -1.351   0.195
   20PHE    CD1  179  -0.267  -1.333   0.103
   20PHE    HD1  180  -0.283  -1.285   0.017
   20PHE    CD2  181  -0.349  -1.418   0.315
   20PHE    HD2  182  -0.424  -1.431   0.380
   20PHE    CE1  183  -0.139  -1.383   0.133
   20PHE    HE1  184  -0.064  -1.371   0.068
   20PHE    CE2  185  -0.222  -1.468   0.344
   20PHE    HE2  186  -0.206  -1.516   0.430
   20PHE     CZ  187  -0.117  -1.450   0.254
   20PHE     HZ  188  -0.026  -1.485   0.275
   20PHE      C  189  -0.437  -1.069   0.239
   20PHE      O  190  -0.349  -1.054   0.325
   21TYR      N  191  -0.435  -0.992   0.128
   21TYR      H  192  -0.505  -1.009   0.059
   21TYR     CA  193  -0.340  -0.888   0.101
   21TYR     CB  194  -0.382  -0.814  -0.027
   21TYR     CG  195  -0.306  -0.687  -0.056
   21TYR    CD1  196  -0.173  -0.692  -0.099
   21TYR    HD1  197  -0.128  -0.781  -0.112
   21TYR    CD2  198  -0.371  -0.565  -0.038
   21TYR    HD2  199  -0.466  -0.563  -0.007
   21TYR    CE1  200  -0.104  -0.573  -0.125
   21TYR    HE1  201  -0.009  -0.576  -0.156
   21TYR    CE2  202  -0.302  -0.447  -0.062
   21TYR    HE2  203  -0.348  -0.359  -0.049
   21TYR     CZ  204  -0.169  -0.451  -0.106
   21TYR     OH  205  -0.104  -0.333  -0.129
   21TYR     HH  206  -0.165  -0.257  -0.110
   21TYR      C  207  -0.341  -0.790   0.218
   21TYR      O  208  -0.236  -0.753   0.272
   22ASP      N  209  -0.464  -0.747   0.259
   22ASP      H  210  -0.547  -0.782   0.215
   22ASP     CA  211  -0.473  -0.647   0.369
   22ASP     CB  212  -0.619  -0.606   0.385
   22ASP     CG  213  -0.671  -0.516   0.275
   22ASP    OD1  214  -0.797  -0.512   0.249
   22ASP    OD2  215  -0.589  -0.443   0.207
   22ASP      C  216  -0.421  -0.709   0.498
   22ASP      O  217  -0.357  -0.640   0.578
   23ASN      N  218  -0.451  -0.839   0.527
   23ASN      H  219  -0.503  -0.894   0.463
   23ASN     CA  220  -0.404  -0.895   0.654
   23ASN     CB  221  -0.472  -1.025   0.686
   23ASN     CG  222  -0.619  -1.011   0.726
   23ASN    OD1  223  -0.684  -1.128   0.724
   23ASN    ND2  224  -0.669  -0.904   0.758
   23ASN   HD21  225  -0.614  -0.821   0.759
   23ASN   HD22  226  -0.766  -0.900   0.784
   23ASN      C  227  -0.251  -0.914   0.640
   23ASN      O  228  -0.184  -0.894   0.745
   24LEU      N  229  -0.199  -0.951   0.527
   24LEU      H  230  -0.256  -0.967   0.446
   24LEU     CA  231  -0.045  -0.968   0.521
   24LEU     CB  232  -0.020  -1.015   0.380
   24LEU     CG  233   0.128  -1.048   0.355
   24LEU    CD1  234   0.176  -1.147   0.454
   24LEU    CD2  235   0.150  -1.101   0.208
   24LEU      C  236   0.017  -0.827   0.543
   24LEU      O  237   0.122  -0.826   0.598
   25GLN      N  238  -0.041  -0.720   0.491
   25GLN      H  239  -0.124  -0.733   0.436
   25GLN     CA  240   0.009  -0.588   0.510
   25GLN     CB  241  -0.081  -0.483   0.443
   25GLN     CG  242  -0.028  -0.340   0.449
   25GLN     CD  243  -0.092  -0.250   0.342
   25GLN    OE1  244  -0.040  -0.143   0.313
   25GLN    NE2  245  -0.203  -0.289   0.281
   25GLN   HE21  246  -0.245  -0.376   0.304
   25GLN   HE22  247  -0.244  -0.230   0.212
   25GLN      C  248   0.019  -0.554   0.658
   25GLN      O  249   0.126  -0.515   0.706
   26GLN      N  250  -0.086  -0.575   0.731
   26GLN      H  251  -0.170  -0.605   0.686
   26GLN     CA  252  -0.086  -0.556   0.876
   26GLN     CB  253  -0.227  -0.587   0.930
   26GLN     CG  254  -0.236  -0.575   1.082
   26GLN     CD  255  -0.233  -0.430   1.131
   26GLN    OE1  256  -0.241  -0.405   1.252
   26GLN    NE2  257  -0.222  -0.331   1.044
   26GLN   HE21  258  -0.216  -0.351   0.947
   26GLN   HE22  259  -0.221  -0.236   1.076
   26GLN      C  260   0.031  -0.629   0.940
   26GLN      O  261   0.101  -0.592   1.027
   27TYR      N  262   0.037  -0.763   0.916
   27TYR      H  263  -0.033  -0.802   0.856
   27TYR     CA  264   0.136  -0.852   0.970
   27TYR     CB  265   0.111  -0.995   0.912
   27TYR     CG  266   0.212  -1.099   0.959
   27TYR    CD1  267   0.312  -1.144   0.873
   27TYR    HD1  268   0.317  -1.109   0.779
   27TYR    CD2  269   0.204  -1.148   1.090
   27TYR    HD2  270   0.132  -1.117   1.151
   27TYR    CE1  271   0.406  -1.238   0.917
   27TYR    HE1  272   0.478  -1.270   0.855
   27TYR    CE2  273   0.298  -1.242   1.135
   27TYR    HE2  274   0.293  -1.278   1.228
   27TYR     CZ  275   0.400  -1.286   1.049
   27TYR     OH  276   0.493  -1.375   1.092
   27TYR     HH  277   0.474  -1.399   1.187
   27TYR      C  278   0.276  -0.804   0.936
   27TYR      O  279   0.362  -0.794   1.025
   28LEU      N  280   0.305  -0.774   0.817
   28LEU      H  281   0.234  -0.782   0.747
   28LEU     CA  282   0.434  -0.728   0.778
   28LEU     CB  283   0.461  -0.714   0.631
   28LEU     CG  284   0.449  -0.851   0.556
   28LEU    CD1  285   0.443  -0.825   0.397
   28LEU    CD2  286   0.576  -0.936   0.584
   28LEU      C  287   0.468  -0.591   0.848
   28LEU      O  288   0.589  -0.581   0.893
   29ASN      N  289   0.374  -0.499   0.853
   29ASN      H  290   0.286  -0.511   0.807
   29ASN     CA  291   0.406  -0.373   0.933
   29ASN     CB  292   0.275  -0.289   0.939
   29ASN     CG  293   0.258  -0.213   0.808
   29ASN    OD1  294   0.156  -0.147   0.790
   29ASN    ND2  295   0.354  -0.220   0.717
   29ASN   HD21  296   0.436  -0.275   0.735
   29ASN   HD22  297   0.345  -0.170   0.631
   29ASN      C  298   0.450  -0.408   1.075
   29ASN      O  299   0.525  -0.332   1.138
   30VAL      N  300   0.381  -0.504   1.146
   30VAL      H  301   0.309  -0.555   1.098
   30VAL     CA  302   0.407  -0.535   1.282
   30VAL     CB  303   0.296  -0.625   1.346
   30VAL    CG1  304   0.353  -0.659   1.495
   30VAL    CG2  305   0.168  -0.544   1.367
   30VAL      C  306   0.538  -0.603   1.295
   30VAL      O  307   0.627  -0.568   1.383
   31VAL      N  308   0.570  -0.697   1.204
   31VAL      H  309   0.507  -0.717   1.128
   31VAL     CA  310   0.700  -0.770   1.216
   31VAL     CB  311   0.684  -0.881   1.098
   31VAL    CG1  312   0.822  -0.944   1.076
   31VAL    CG2  313   0.584  -0.991   1.134
   31VAL      C  314   0.816  -0.678   1.196
   31VAL      O  315   0.930  -0.700   1.240
   32THR      N  316   0.804  -0.585   1.102
   32THR      H  317   0.720  -0.583   1.047
   32THR     CA  318   0.907  -0.486   1.074
   32THR     CB  319   0.883  -0.434   0.934
   32THR    OG1  320   0.776  -0.357   0.906
   32THR    HG1  321   0.778  -0.332   0.809
   32THR    CG2  322   0.961  -0.485   0.844
   32THR      C  323   0.897  -0.362   1.169
   32THR      O  324   0.988  -0.275   1.152
   33ARG      N  325   0.815  -0.360   1.267
   33ARG      H  326   0.756  -0.440   1.278
   33ARG     CA  327   0.799  -0.250   1.366
   33ARG     CB  328   0.924  -0.238   1.456
   33ARG     CG  329   0.971  -0.373   1.507
   33ARG     CD  330   1.087  -0.361   1.604
   33ARG     NE  331   1.055  -0.281   1.722
   33ARG     HE  332   1.080  -0.184   1.722
   33ARG     CZ  333   0.994  -0.331   1.830
   33ARG    NH1  334   0.957  -0.460   1.835
   33ARG   HH11  335   0.976  -0.520   1.758
   33ARG   HH12  336   0.912  -0.496   1.917
   33ARG    NH2  337   0.965  -0.258   1.939
   33ARG   HH21  338   0.989  -0.161   1.943
   33ARG   HH22  339   0.919  -0.301   2.017
   33ARG      C  340   0.779  -0.117   1.294
   33ARG      O  341   0.804  -0.009   1.351
   34HIS      N  342   0.703  -0.123   1.190
   34HIS      H  343   0.662  -0.210   1.162
   34HIS     CA  344   0.678   0.004   1.110
   34HIS     CB  345   0.759  -0.001   0.988
   34HIS     CG  346   0.761   0.129   0.910
   34HIS    ND1  347   0.695   0.143   0.788
   34HIS    CD2  348   0.820   0.249   0.936
   34HIS    HD2  349   0.875   0.271   1.016
   34HIS    CE1  350   0.714   0.267   0.745
   34HIS    HE1  351   0.678   0.305   0.660
   34HIS    NE2  352   0.788   0.331   0.833
   34HIS    HE2  353   0.817   0.426   0.825
   34HIS      C  354   0.529   0.016   1.080
   34HIS      O  355   0.484  -0.014   0.969
   35ARG      N  356   0.452   0.054   1.188
   35ARG      H  357   0.499   0.078   1.273
   35ARG     CA  358   0.311   0.062   1.185
   35ARG     CB  359   0.255   0.064   1.331
   35ARG     CG  360   0.285  -0.071   1.399
   35ARG     CD  361   0.248  -0.079   1.548
   35ARG     NE  362   0.331  -0.175   1.622
   35ARG     HE  363   0.430  -0.162   1.619
   35ARG     CZ  364   0.284  -0.277   1.694
   35ARG    NH1  365   0.152  -0.301   1.704
   35ARG   HH11  366   0.087  -0.241   1.656
   35ARG   HH12  367   0.119  -0.378   1.758
   35ARG    NH2  368   0.361  -0.363   1.762
   35ARG   HH21  369   0.461  -0.353   1.761
   35ARG   HH22  370   0.320  -0.438   1.814
   35ARG      C  371   0.264   0.188   1.113
   35ARG      O  372   0.145   0.223   1.117
   36TYR      N  373   0.336   0.261   1.044
   36TYR      H  374   0.435   0.265   1.063
   36TYR     CA  375   0.276   0.345   0.930
   36TYR     CB  376   0.402   0.433   0.879
   36TYR     CG  377   0.473   0.479   1.006
   36TYR    CD1  378   0.567   0.396   1.068
   36TYR    HD1  379   0.588   0.306   1.030
   36TYR    CD2  380   0.442   0.604   1.062
   36TYR    HD2  381   0.373   0.662   1.019
   36TYR    CE1  382   0.633   0.439   1.184
   36TYR    HE1  383   0.701   0.380   1.228
   36TYR    CE2  384   0.508   0.647   1.177
   36TYR    HE2  385   0.487   0.736   1.217
   36TYR     CZ  386   0.604   0.565   1.238
   36TYR     OH  387   0.670   0.609   1.349
   36TYR     HH  388   0.638   0.700   1.373
   36TYR      C  389   0.233   0.248   0.820
   36TYR     O1  390   0.317   0.172   0.767
   36TYR     O2  391   0.128   0.214   0.789
   10   10   10   0.00000   0.00000   0.00000   0.00000  -0.74749   0.00000