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       2.495   1.314   0.839  1.00  0.00           H  
ATOM      3  H3  CYS A   1       2.644   1.444  -0.989  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   TRP A   2       6.191   3.839   0.000  1.00  0.00           N  
ATOM     15  H   TRP A   2       5.715   4.730   0.000  1.00  0.00           H  
ATOM     16  CA  TRP A   2       7.640   3.839   0.000  1.00  0.00           C  
ATOM     17  HA  TRP A   2       8.004   3.325   0.890  1.00  0.00           H  
ATOM     18  CB  TRP A   2       8.189   3.127  -1.232  1.00  0.00           C  
ATOM     19  HB2 TRP A   2       7.841   2.094  -1.241  1.00  0.00           H  
ATOM     20  HB3 TRP A   2       7.841   3.636  -2.131  1.00  0.00           H  
ATOM     21  CG  TRP A   2       9.696   3.076  -1.321  1.00  0.00           C  
ATOM     22  CD1 TRP A   2      10.427   2.515  -2.293  1.00  0.00           C  
ATOM     23  HD1 TRP A   2       9.934   2.029  -3.135  1.00  0.00           H  
ATOM     24  NE1 TRP A   2      11.801   2.713  -1.950  1.00  0.00           N  
ATOM     25  HE1 TRP A   2      12.593   2.399  -2.493  1.00  0.00           H  
ATOM     26  CE2 TRP A   2      11.867   3.367  -0.817  1.00  0.00           C  
ATOM     27  CZ2 TRP A   2      13.013   3.770  -0.120  1.00  0.00           C  
ATOM     28  HZ2 TRP A   2      14.002   3.540  -0.517  1.00  0.00           H  
ATOM     29  CH2 TRP A   2      12.793   4.456   1.069  1.00  0.00           C  
ATOM     30  HH2 TRP A   2      13.639   4.799   1.664  1.00  0.00           H  
ATOM     31  CZ3 TRP A   2      11.540   4.708   1.505  1.00  0.00           C  
ATOM     32  HZ3 TRP A   2      11.387   5.247   2.440  1.00  0.00           H  
ATOM     33  CE3 TRP A   2      10.401   4.292   0.786  1.00  0.00           C  
ATOM     34  HE3 TRP A   2       9.405   4.513   1.168  1.00  0.00           H  
ATOM     35  CD2 TRP A   2      10.623   3.601  -0.412  1.00  0.00           C  
ATOM     36  C   TRP A   2       8.188   5.259   0.000  1.00  0.00           C  
ATOM     37  O   TRP A   2       7.425   6.222   0.000  1.00  0.00           O  
ATOM     38  OXT TRP A   2       9.436   5.329   0.036  1.00  0.00           O  
TER      39      TRP A   2
END