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 2.487 1.309 0.830 1.00 0.00 H ATOM 3 H3 ALA A 1 2.654 1.447 -0.996 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 ALA A 2 6.191 3.839 0.000 1.00 0.00 N ATOM 14 H ALA A 2 5.715 4.730 0.000 1.00 0.00 H ATOM 15 CA ALA A 2 7.640 3.839 0.000 1.00 0.00 C ATOM 16 HA ALA A 2 8.004 3.325 0.890 1.00 0.00 H ATOM 17 CB ALA A 2 8.189 3.127 -1.232 1.00 0.00 C ATOM 18 HB1 ALA A 2 7.841 3.636 -2.131 1.00 0.00 H ATOM 19 HB2 ALA A 2 9.279 3.142 -1.206 1.00 0.00 H ATOM 20 HB3 ALA A 2 7.841 2.094 -1.241 1.00 0.00 H ATOM 21 C ALA A 2 8.188 5.259 0.000 1.00 0.00 C ATOM 22 O ALA A 2 7.425 6.222 0.000 1.00 0.00 O ATOM 23 N GLU A 3 9.517 5.386 0.000 1.00 0.00 N ATOM 24 H GLU A 3 10.103 4.564 0.000 1.00 0.00 H ATOM 25 CA GLU A 3 10.161 6.684 0.000 1.00 0.00 C ATOM 26 HA GLU A 3 9.863 7.239 -0.890 1.00 0.00 H ATOM 27 CB GLU A 3 9.768 7.492 1.232 1.00 0.00 C ATOM 28 HB2 GLU A 3 8.688 7.640 1.241 1.00 0.00 H ATOM 29 HB3 GLU A 3 10.068 6.954 2.131 1.00 0.00 H ATOM 30 CG GLU A 3 10.458 8.835 1.195 1.00 0.00 C ATOM 31 HG2 GLU A 3 11.538 8.688 1.186 1.00 0.00 H ATOM 32 HG3 GLU A 3 10.158 9.374 0.296 1.00 0.00 H ATOM 33 CD GLU A 3 10.065 9.644 2.429 1.00 0.00 C ATOM 34 OE1 GLU A 3 10.786 9.518 3.454 1.00 0.00 O ATOM 35 OE2 GLU A 3 9.047 10.381 2.334 1.00 0.00 O ATOM 36 C GLU A 3 11.677 6.544 0.000 1.00 0.00 C ATOM 37 O GLU A 3 12.200 5.432 0.000 1.00 0.00 O ATOM 38 N VAL A 4 12.382 7.677 0.000 1.00 0.00 N ATOM 39 H VAL A 4 11.906 8.568 0.000 1.00 0.00 H ATOM 40 CA VAL A 4 13.831 7.677 0.000 1.00 0.00 C ATOM 41 HA VAL A 4 14.195 7.163 0.890 1.00 0.00 H ATOM 42 CB VAL A 4 14.380 6.966 -1.232 1.00 0.00 C ATOM 43 HB VAL A 4 14.032 5.933 -1.241 1.00 0.00 H ATOM 44 CG1 VAL A 4 13.892 7.678 -2.490 1.00 0.00 C ATOM 45 HG11 VAL A 4 14.241 8.710 -2.481 1.00 0.00 H ATOM 46 HG12 VAL A 4 14.284 7.170 -3.371 1.00 0.00 H ATOM 47 HG13 VAL A 4 12.803 7.662 -2.517 1.00 0.00 H ATOM 48 CG2 VAL A 4 15.904 6.987 -1.195 1.00 0.00 C ATOM 49 HG21 VAL A 4 16.253 6.479 -0.296 1.00 0.00 H ATOM 50 HG22 VAL A 4 16.297 6.479 -2.075 1.00 0.00 H ATOM 51 HG23 VAL A 4 16.253 8.020 -1.186 1.00 0.00 H ATOM 52 C VAL A 4 14.379 9.097 0.000 1.00 0.00 C ATOM 53 O VAL A 4 13.616 10.060 0.000 1.00 0.00 O ATOM 54 OXT VAL A 4 15.667 9.051 0.049 1.00 0.00 O TER 55 VAL A 4 END