| REMARK 1 CREATED WITH OPENMM 7.7, 2022-12-15 | |
| ATOM 1 N ASP A 1 3.326 1.548 0.000 1.00 0.00 N | |
| ATOM 2 H2 ASP A 1 2.644 1.442 -0.988 1.00 0.00 H | |
| ATOM 3 H3 ASP A 1 2.494 1.312 0.838 1.00 0.00 H | |
| ATOM 4 H ASP A 1 3.909 0.724 0.000 1.00 0.00 H | |
| ATOM 5 CA ASP A 1 3.970 2.846 0.000 1.00 0.00 C | |
| ATOM 6 HA ASP A 1 3.672 3.400 -0.890 1.00 0.00 H | |
| ATOM 7 CB ASP A 1 3.577 3.654 1.232 1.00 0.00 C | |
| ATOM 8 HB2 ASP A 1 2.497 3.801 1.241 1.00 0.00 H | |
| ATOM 9 HB3 ASP A 1 3.877 3.116 2.131 1.00 0.00 H | |
| ATOM 10 CG ASP A 1 4.275 5.011 1.195 1.00 0.00 C | |
| ATOM 11 OD1 ASP A 1 3.669 5.955 0.620 1.00 0.00 O | |
| ATOM 12 OD2 ASP A 1 5.408 5.092 1.741 1.00 0.00 O | |
| ATOM 13 C ASP A 1 5.486 2.705 0.000 1.00 0.00 C | |
| ATOM 14 O ASP A 1 6.009 1.593 0.000 1.00 0.00 O | |
| ATOM 15 N SER A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 16 H SER A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 17 CA SER A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 18 HA SER A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 19 CB SER A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 20 HB2 SER A 2 7.841 2.094 -1.241 1.00 0.00 H | |
| ATOM 21 HB3 SER A 2 7.841 3.636 -2.131 1.00 0.00 H | |
| ATOM 22 OG SER A 2 9.618 3.148 -1.197 1.00 0.00 O | |
| ATOM 23 HG SER A 2 9.964 2.700 -1.973 1.00 0.00 H | |
| ATOM 24 C SER A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 25 O SER A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 26 N GLY A 3 9.517 5.386 0.000 1.00 0.00 N | |
| ATOM 27 H GLY A 3 10.103 4.564 0.000 1.00 0.00 H | |
| ATOM 28 CA GLY A 3 10.161 6.684 0.000 1.00 0.00 C | |
| ATOM 29 HA2 GLY A 3 9.863 7.239 -0.890 1.00 0.00 H | |
| ATOM 30 HA3 GLY A 3 9.863 7.239 0.890 1.00 0.00 H | |
| ATOM 31 C GLY A 3 11.675 6.525 0.000 1.00 0.00 C | |
| ATOM 32 O GLY A 3 12.184 5.407 0.000 1.00 0.00 O | |
| ATOM 33 N ALA A 4 12.394 7.650 0.000 1.00 0.00 N | |
| ATOM 34 H ALA A 4 11.929 8.547 0.000 1.00 0.00 H | |
| ATOM 35 CA ALA A 4 13.843 7.632 0.000 1.00 0.00 C | |
| ATOM 36 HA ALA A 4 14.200 7.114 0.890 1.00 0.00 H | |
| ATOM 37 CB ALA A 4 14.383 6.914 -1.232 1.00 0.00 C | |
| ATOM 38 HB1 ALA A 4 14.041 7.427 -2.131 1.00 0.00 H | |
| ATOM 39 HB2 ALA A 4 15.473 6.916 -1.206 1.00 0.00 H | |
| ATOM 40 HB3 ALA A 4 14.022 5.886 -1.241 1.00 0.00 H | |
| ATOM 41 C ALA A 4 14.408 9.045 0.000 1.00 0.00 C | |
| ATOM 42 O ALA A 4 13.657 10.018 0.000 1.00 0.00 O | |
| ATOM 43 OXT ALA A 4 15.694 8.963 0.022 1.00 0.00 O | |
| TER 44 ALA A 4 | |
| END | |