| REMARK 1 CREATED WITH OPENMM 7.7, 2022-04-23 | |
| HETATM 1 H1 ACE A 1 2.000 1.000 0.000 1.00 0.00 H | |
| HETATM 2 CH3 ACE A 1 2.000 2.090 0.000 1.00 0.00 C | |
| HETATM 3 H2 ACE A 1 1.486 2.454 0.890 1.00 0.00 H | |
| HETATM 4 H3 ACE A 1 1.486 2.454 -0.890 1.00 0.00 H | |
| HETATM 5 C ACE A 1 3.427 2.641 0.000 1.00 0.00 C | |
| HETATM 6 O ACE A 1 4.391 1.877 0.000 1.00 0.00 O | |
| ATOM 7 N ALA A 2 3.555 3.970 0.000 1.00 0.00 N | |
| ATOM 8 H ALA A 2 2.733 4.556 0.000 1.00 0.00 H | |
| ATOM 9 CA ALA A 2 4.853 4.614 0.000 1.00 0.00 C | |
| ATOM 10 HA ALA A 2 5.408 4.316 0.890 1.00 0.00 H | |
| ATOM 11 CB ALA A 2 5.661 4.221 -1.232 1.00 0.00 C | |
| ATOM 12 HB1 ALA A 2 5.123 4.521 -2.131 1.00 0.00 H | |
| ATOM 13 HB2 ALA A 2 6.630 4.719 -1.206 1.00 0.00 H | |
| ATOM 14 HB3 ALA A 2 5.809 3.141 -1.241 1.00 0.00 H | |
| ATOM 15 C ALA A 2 4.713 6.129 0.000 1.00 0.00 C | |
| ATOM 16 O ALA A 2 3.601 6.653 0.000 1.00 0.00 O | |
| HETATM 17 N NME A 3 5.846 6.835 0.000 1.00 0.00 N | |
| HETATM 18 H NME A 3 6.737 6.359 0.000 1.00 0.00 H | |
| HETATM 19 C NME A 3 5.846 8.284 0.000 1.00 0.00 C | |
| HETATM 20 H1 NME A 3 4.819 8.648 0.000 1.00 0.00 H | |
| HETATM 21 H2 NME A 3 6.360 8.648 0.890 1.00 0.00 H | |
| HETATM 22 H3 NME A 3 6.360 8.648 -0.890 1.00 0.00 H | |
| TER 23 NME A 3 | |
| CONECT 1 2 2 | |
| CONECT 2 5 1 3 | |
| CONECT 2 1 5 3 4 | |
| CONECT 3 2 2 | |
| CONECT 4 2 2 | |
| CONECT 5 2 6 7 | |
| CONECT 5 6 7 | |
| CONECT 6 5 5 | |
| CONECT 7 5 5 | |
| CONECT 15 17 17 | |
| CONECT 17 15 19 18 | |
| CONECT 17 19 18 | |
| CONECT 18 17 17 | |
| CONECT 19 20 21 22 | |
| CONECT 19 17 20 21 22 | |
| CONECT 20 19 19 | |
| CONECT 21 19 19 | |
| CONECT 22 19 19 | |
| END | |