| REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-13 | |
| ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 ALA A 1 2.648 1.441 -0.991 1.00 0.00 H | |
| ATOM 3 H3 ALA A 1 2.493 1.309 0.836 1.00 0.00 H | |
| ATOM 4 H ALA A 1 3.909 0.724 0.000 1.00 0.00 H | |
| ATOM 5 CA ALA A 1 3.970 2.846 0.000 1.00 0.00 C | |
| ATOM 6 HA ALA A 1 3.672 3.400 -0.890 1.00 0.00 H | |
| ATOM 7 CB ALA A 1 3.577 3.654 1.232 1.00 0.00 C | |
| ATOM 8 HB1 ALA A 1 3.877 3.116 2.131 1.00 0.00 H | |
| ATOM 9 HB2 ALA A 1 4.075 4.623 1.206 1.00 0.00 H | |
| ATOM 10 HB3 ALA A 1 2.497 3.801 1.241 1.00 0.00 H | |
| ATOM 11 C ALA A 1 5.486 2.705 0.000 1.00 0.00 C | |
| ATOM 12 O ALA A 1 6.009 1.593 0.000 1.00 0.00 O | |
| ATOM 13 N GLU A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 14 H GLU A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 15 CA GLU A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 16 HA GLU A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 17 CB GLU A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 18 HB2 GLU A 2 7.841 2.094 -1.241 1.00 0.00 H | |
| ATOM 19 HB3 GLU A 2 7.841 3.636 -2.131 1.00 0.00 H | |
| ATOM 20 CG GLU A 2 9.698 3.149 -1.195 1.00 0.00 C | |
| ATOM 21 HG2 GLU A 2 10.047 4.181 -1.186 1.00 0.00 H | |
| ATOM 22 HG3 GLU A 2 10.047 2.640 -0.296 1.00 0.00 H | |
| ATOM 23 CD GLU A 2 10.248 2.436 -2.429 1.00 0.00 C | |
| ATOM 24 OE1 GLU A 2 10.455 3.138 -3.454 1.00 0.00 O | |
| ATOM 25 OE2 GLU A 2 10.455 1.197 -2.334 1.00 0.00 O | |
| ATOM 26 C GLU A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 27 O GLU A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 28 N HIS A 3 9.517 5.386 0.000 1.00 0.00 N | |
| ATOM 29 H HIS A 3 10.103 4.564 0.000 1.00 0.00 H | |
| ATOM 30 CA HIS A 3 10.161 6.684 0.000 1.00 0.00 C | |
| ATOM 31 HA HIS A 3 9.863 7.239 -0.890 1.00 0.00 H | |
| ATOM 32 CB HIS A 3 9.768 7.492 1.232 1.00 0.00 C | |
| ATOM 33 HB2 HIS A 3 8.688 7.640 1.241 1.00 0.00 H | |
| ATOM 34 HB3 HIS A 3 10.068 6.954 2.131 1.00 0.00 H | |
| ATOM 35 CG HIS A 3 10.392 8.865 1.321 1.00 0.00 C | |
| ATOM 36 ND1 HIS A 3 10.134 9.724 2.383 1.00 0.00 N | |
| ATOM 37 CE1 HIS A 3 10.815 10.836 2.183 1.00 0.00 C | |
| ATOM 38 HE1 HIS A 3 10.754 11.650 2.905 1.00 0.00 H | |
| ATOM 39 NE2 HIS A 3 11.485 10.730 1.062 1.00 0.00 N | |
| ATOM 40 HE2 HIS A 3 12.087 11.444 0.677 1.00 0.00 H | |
| ATOM 41 CD2 HIS A 3 11.250 9.517 0.492 1.00 0.00 C | |
| ATOM 42 HD2 HIS A 3 11.729 9.256 -0.451 1.00 0.00 H | |
| ATOM 43 C HIS A 3 11.677 6.544 0.000 1.00 0.00 C | |
| ATOM 44 O HIS A 3 12.200 5.432 0.000 1.00 0.00 O | |
| ATOM 45 N GLY A 4 12.382 7.677 0.000 1.00 0.00 N | |
| ATOM 46 H GLY A 4 11.906 8.568 0.000 1.00 0.00 H | |
| ATOM 47 CA GLY A 4 13.831 7.677 0.000 1.00 0.00 C | |
| ATOM 48 HA2 GLY A 4 14.195 7.163 0.890 1.00 0.00 H | |
| ATOM 49 HA3 GLY A 4 14.195 7.163 -0.890 1.00 0.00 H | |
| ATOM 50 C GLY A 4 14.362 9.104 0.000 1.00 0.00 C | |
| ATOM 51 O GLY A 4 13.586 10.057 0.000 1.00 0.00 O | |
| ATOM 52 OXT GLY A 4 15.646 9.045 -0.037 1.00 0.00 O | |
| TER 53 GLY A 4 | |
| END | |