REMARK   1 CREATED WITH OPENMM 7.7, 2022-11-04
ATOM      1  N   CYS A   1       3.326   1.548   0.000  1.00  0.00           N  
ATOM      2  H2  CYS A   1       2.496   1.314   0.840  1.00  0.00           H  
ATOM      3  H3  CYS A   1       2.643   1.448  -0.988  1.00  0.00           H  
ATOM      4  H   CYS A   1       3.909   0.724   0.000  1.00  0.00           H  
ATOM      5  CA  CYS A   1       3.970   2.846   0.000  1.00  0.00           C  
ATOM      6  HA  CYS A   1       3.672   3.400  -0.890  1.00  0.00           H  
ATOM      7  CB  CYS A   1       3.577   3.654   1.232  1.00  0.00           C  
ATOM      8  HB2 CYS A   1       2.497   3.801   1.241  1.00  0.00           H  
ATOM      9  HB3 CYS A   1       3.877   3.116   2.131  1.00  0.00           H  
ATOM     10  SG  CYS A   1       4.310   5.304   1.366  1.00  0.00           S  
ATOM     11  HG  CYS A   1       3.725   5.622   2.518  1.00  0.00           H  
ATOM     12  C   CYS A   1       5.486   2.705   0.000  1.00  0.00           C  
ATOM     13  O   CYS A   1       6.009   1.593   0.000  1.00  0.00           O  
ATOM     14  N   GLU A   2       6.191   3.839   0.000  1.00  0.00           N  
ATOM     15  H   GLU A   2       5.715   4.730   0.000  1.00  0.00           H  
ATOM     16  CA  GLU A   2       7.640   3.839   0.000  1.00  0.00           C  
ATOM     17  HA  GLU A   2       8.004   3.325   0.890  1.00  0.00           H  
ATOM     18  CB  GLU A   2       8.189   3.127  -1.232  1.00  0.00           C  
ATOM     19  HB2 GLU A   2       7.841   2.094  -1.241  1.00  0.00           H  
ATOM     20  HB3 GLU A   2       7.841   3.636  -2.131  1.00  0.00           H  
ATOM     21  CG  GLU A   2       9.698   3.149  -1.195  1.00  0.00           C  
ATOM     22  HG2 GLU A   2      10.047   4.181  -1.186  1.00  0.00           H  
ATOM     23  HG3 GLU A   2      10.047   2.640  -0.296  1.00  0.00           H  
ATOM     24  CD  GLU A   2      10.248   2.436  -2.429  1.00  0.00           C  
ATOM     25  OE1 GLU A   2      10.455   3.138  -3.454  1.00  0.00           O  
ATOM     26  OE2 GLU A   2      10.455   1.197  -2.334  1.00  0.00           O  
ATOM     27  C   GLU A   2       8.188   5.259   0.000  1.00  0.00           C  
ATOM     28  O   GLU A   2       7.425   6.222   0.000  1.00  0.00           O  
ATOM     29  OXT GLU A   2       9.440   5.326   0.071  1.00  0.00           O  
TER      30      GLU A   2
END