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GROMACS
   58
    1ALA      N    1   2.374   2.436   2.592
    1ALA     H1    2   2.456   2.469   2.535
    1ALA     H2    3   2.292   2.473   2.541
    1ALA     H3    4   2.375   2.332   2.583
    1ALA     CA    5   2.389   2.483   2.732
    1ALA     HA    6   2.431   2.583   2.729
    1ALA     CB    7   2.249   2.486   2.798
    1ALA    HB1    8   2.204   2.384   2.802
    1ALA    HB2    9   2.180   2.553   2.742
    1ALA    HB3   10   2.256   2.525   2.902
    1ALA      C   11   2.485   2.395   2.810
    1ALA      O   12   2.505   2.280   2.774
    2PRO      N   13   2.545   2.453   2.915
    2PRO     CD   14   2.525   2.378   3.041
    2PRO    HD1   15   2.439   2.307   3.038
    2PRO    HD2   16   2.505   2.453   3.121
    2PRO     CA   17   2.690   2.474   2.909
    2PRO     HA   18   2.714   2.547   2.985
    2PRO     CB   19   2.751   2.341   2.955
    2PRO    HB1   20   2.856   2.352   2.989
    2PRO    HB2   21   2.744   2.263   2.876
    2PRO     CG   22   2.657   2.304   3.071
    2PRO    HG1   23   2.642   2.194   3.077
    2PRO    HG2   24   2.699   2.340   3.168
    2PRO      C   25   2.747   2.535   2.782
    2PRO      O   26   2.759   2.657   2.775
    3GLY      N   27   2.778   2.453   2.679
    3GLY     HN   28   2.770   2.355   2.693
    3GLY     CA   29   2.809   2.499   2.544
    3GLY    HA1   30   2.856   2.417   2.492
    3GLY    HA2   31   2.872   2.587   2.551
    3GLY      C   32   2.685   2.539   2.467
    3GLY      O   33   2.589   2.591   2.523
    4ARG      N   34   2.681   2.511   2.336
    4ARG     HN   35   2.758   2.465   2.292
    4ARG     CA   36   2.566   2.535   2.250
    4ARG     HA   37   2.553   2.643   2.245
    4ARG     CB   38   2.597   2.481   2.108
    4ARG    HB1   39   2.623   2.372   2.119
    4ARG    HB2   40   2.689   2.532   2.071
    4ARG     CG   41   2.487   2.491   1.999
    4ARG    HG1   42   2.402   2.424   2.027
    4ARG    HG2   43   2.531   2.448   1.906
    4ARG     CD   44   2.435   2.631   1.965
    4ARG    HD1   45   2.380   2.628   1.868
    4ARG    HD2   46   2.518   2.704   1.958
    4ARG     NE   47   2.343   2.670   2.076
    4ARG     HE   48   2.361   2.627   2.166
    4ARG     CZ   49   2.215   2.702   2.065
    4ARG    NH1   50   2.141   2.679   2.171
    4ARG   HH11   51   2.189   2.630   2.245
    4ARG   HH12   52   2.043   2.688   2.167
    4ARG    NH2   53   2.163   2.754   1.957
    4ARG   HH21   54   2.068   2.784   1.959
    4ARG   HH22   55   2.226   2.781   1.885
    4ARG      C   56   2.434   2.474   2.305
    4ARG    OT1   57   2.431   2.353   2.336
    4ARG    OT2   58   2.336   2.551   2.326
   5.00000   5.00000   5.00000