| REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-12 | |
| ATOM 1 N GLU A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 GLU A 1 2.492 1.304 0.834 1.00 0.00 H | |
| ATOM 3 H3 GLU A 1 2.649 1.446 -0.992 1.00 0.00 H | |
| ATOM 4 H GLU A 1 3.909 0.724 0.000 1.00 0.00 H | |
| ATOM 5 CA GLU A 1 3.970 2.846 0.000 1.00 0.00 C | |
| ATOM 6 HA GLU A 1 3.672 3.400 -0.890 1.00 0.00 H | |
| ATOM 7 CB GLU A 1 3.577 3.654 1.232 1.00 0.00 C | |
| ATOM 8 HB2 GLU A 1 2.497 3.801 1.241 1.00 0.00 H | |
| ATOM 9 HB3 GLU A 1 3.877 3.116 2.131 1.00 0.00 H | |
| ATOM 10 CG GLU A 1 4.267 4.996 1.195 1.00 0.00 C | |
| ATOM 11 HG2 GLU A 1 5.347 4.850 1.186 1.00 0.00 H | |
| ATOM 12 HG3 GLU A 1 3.967 5.535 0.296 1.00 0.00 H | |
| ATOM 13 CD GLU A 1 3.874 5.805 2.429 1.00 0.00 C | |
| ATOM 14 OE1 GLU A 1 4.595 5.679 3.454 1.00 0.00 O | |
| ATOM 15 OE2 GLU A 1 2.856 6.542 2.334 1.00 0.00 O | |
| ATOM 16 C GLU A 1 5.486 2.705 0.000 1.00 0.00 C | |
| ATOM 17 O GLU A 1 6.009 1.593 0.000 1.00 0.00 O | |
| ATOM 18 N GLY A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 19 H GLY A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 20 CA GLY A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 21 HA2 GLY A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 22 HA3 GLY A 2 8.004 3.325 -0.890 1.00 0.00 H | |
| ATOM 23 C GLY A 2 8.171 5.265 0.000 1.00 0.00 C | |
| ATOM 24 O GLY A 2 7.395 6.219 0.000 1.00 0.00 O | |
| ATOM 25 N HIS A 3 9.498 5.409 0.000 1.00 0.00 N | |
| ATOM 26 H HIS A 3 10.094 4.594 0.000 1.00 0.00 H | |
| ATOM 27 CA HIS A 3 10.126 6.715 0.000 1.00 0.00 C | |
| ATOM 28 HA HIS A 3 9.821 7.266 -0.890 1.00 0.00 H | |
| ATOM 29 CB HIS A 3 9.723 7.518 1.232 1.00 0.00 C | |
| ATOM 30 HB2 HIS A 3 8.641 7.652 1.241 1.00 0.00 H | |
| ATOM 31 HB3 HIS A 3 10.030 6.984 2.131 1.00 0.00 H | |
| ATOM 32 CG HIS A 3 10.330 8.898 1.321 1.00 0.00 C | |
| ATOM 33 ND1 HIS A 3 10.062 9.754 2.383 1.00 0.00 N | |
| ATOM 34 CE1 HIS A 3 10.730 10.874 2.183 1.00 0.00 C | |
| ATOM 35 HE1 HIS A 3 10.658 11.688 2.905 1.00 0.00 H | |
| ATOM 36 NE2 HIS A 3 11.401 10.776 1.062 1.00 0.00 N | |
| ATOM 37 HE2 HIS A 3 11.994 11.497 0.677 1.00 0.00 H | |
| ATOM 38 CD2 HIS A 3 11.180 9.561 0.492 1.00 0.00 C | |
| ATOM 39 HD2 HIS A 3 11.662 9.306 -0.451 1.00 0.00 H | |
| ATOM 40 C HIS A 3 11.643 6.593 0.000 1.00 0.00 C | |
| ATOM 41 O HIS A 3 12.180 5.487 0.000 1.00 0.00 O | |
| ATOM 42 N ALA A 4 12.335 7.735 0.000 1.00 0.00 N | |
| ATOM 43 H ALA A 4 11.848 8.620 0.000 1.00 0.00 H | |
| ATOM 44 CA ALA A 4 13.784 7.753 0.000 1.00 0.00 C | |
| ATOM 45 HA ALA A 4 14.154 7.243 0.890 1.00 0.00 H | |
| ATOM 46 CB ALA A 4 14.341 7.048 -1.232 1.00 0.00 C | |
| ATOM 47 HB1 ALA A 4 13.987 7.552 -2.131 1.00 0.00 H | |
| ATOM 48 HB2 ALA A 4 15.431 7.076 -1.206 1.00 0.00 H | |
| ATOM 49 HB3 ALA A 4 14.006 6.011 -1.241 1.00 0.00 H | |
| ATOM 50 C ALA A 4 14.314 9.179 0.000 1.00 0.00 C | |
| ATOM 51 O ALA A 4 13.539 10.133 0.000 1.00 0.00 O | |
| ATOM 52 OXT ALA A 4 15.601 9.134 -0.015 1.00 0.00 O | |
| TER 53 ALA A 4 | |
| END | |