| 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 2.644 1.448 -0.988 1.00 0.00 H | |
| ATOM 3 H3 ALA A 1 2.494 1.312 0.838 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 CYS A 2 6.191 3.839 0.000 1.00 0.00 N | |
| ATOM 14 H CYS A 2 5.715 4.730 0.000 1.00 0.00 H | |
| ATOM 15 CA CYS A 2 7.640 3.839 0.000 1.00 0.00 C | |
| ATOM 16 HA CYS A 2 8.004 3.325 0.890 1.00 0.00 H | |
| ATOM 17 CB CYS A 2 8.189 3.127 -1.232 1.00 0.00 C | |
| ATOM 18 HB2 CYS A 2 7.841 2.094 -1.241 1.00 0.00 H | |
| ATOM 19 HB3 CYS A 2 7.841 3.636 -2.131 1.00 0.00 H | |
| ATOM 20 SG CYS A 2 9.992 3.050 -1.366 1.00 0.00 S | |
| ATOM 21 HG CYS A 2 10.018 2.385 -2.518 1.00 0.00 H | |
| ATOM 22 C CYS A 2 8.188 5.259 0.000 1.00 0.00 C | |
| ATOM 23 O CYS A 2 7.425 6.222 0.000 1.00 0.00 O | |
| ATOM 24 N GLU A 3 9.517 5.386 0.000 1.00 0.00 N | |
| ATOM 25 H GLU A 3 10.103 4.564 0.000 1.00 0.00 H | |
| ATOM 26 CA GLU A 3 10.161 6.684 0.000 1.00 0.00 C | |
| ATOM 27 HA GLU A 3 9.863 7.239 -0.890 1.00 0.00 H | |
| ATOM 28 CB GLU A 3 9.768 7.492 1.232 1.00 0.00 C | |
| ATOM 29 HB2 GLU A 3 8.688 7.640 1.241 1.00 0.00 H | |
| ATOM 30 HB3 GLU A 3 10.068 6.954 2.131 1.00 0.00 H | |
| ATOM 31 CG GLU A 3 10.458 8.835 1.195 1.00 0.00 C | |
| ATOM 32 HG2 GLU A 3 11.538 8.688 1.186 1.00 0.00 H | |
| ATOM 33 HG3 GLU A 3 10.158 9.374 0.296 1.00 0.00 H | |
| ATOM 34 CD GLU A 3 10.065 9.644 2.429 1.00 0.00 C | |
| ATOM 35 OE1 GLU A 3 10.786 9.518 3.454 1.00 0.00 O | |
| ATOM 36 OE2 GLU A 3 9.047 10.381 2.334 1.00 0.00 O | |
| ATOM 37 C GLU A 3 11.677 6.544 0.000 1.00 0.00 C | |
| ATOM 38 O GLU A 3 12.200 5.432 0.000 1.00 0.00 O | |
| ATOM 39 N SER A 4 12.382 7.677 0.000 1.00 0.00 N | |
| ATOM 40 H SER A 4 11.906 8.568 0.000 1.00 0.00 H | |
| ATOM 41 CA SER A 4 13.831 7.677 0.000 1.00 0.00 C | |
| ATOM 42 HA SER A 4 14.195 7.163 0.890 1.00 0.00 H | |
| ATOM 43 CB SER A 4 14.380 6.966 -1.232 1.00 0.00 C | |
| ATOM 44 HB2 SER A 4 14.032 5.933 -1.241 1.00 0.00 H | |
| ATOM 45 HB3 SER A 4 14.032 7.474 -2.131 1.00 0.00 H | |
| ATOM 46 OG SER A 4 15.809 6.986 -1.197 1.00 0.00 O | |
| ATOM 47 HG SER A 4 16.155 6.538 -1.973 1.00 0.00 H | |
| ATOM 48 C SER A 4 14.379 9.097 0.000 1.00 0.00 C | |
| ATOM 49 O SER A 4 13.616 10.060 0.000 1.00 0.00 O | |
| ATOM 50 OXT SER A 4 15.666 9.049 0.037 1.00 0.00 O | |
| TER 51 SER A 4 | |
| END | |