REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-01 ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N ATOM 2 H2 ALA A 1 2.489 1.311 0.832 1.00 0.00 H ATOM 3 H3 ALA A 1 2.647 1.450 -0.990 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 LEU A 2 6.191 3.839 0.000 1.00 0.00 N ATOM 14 H LEU A 2 5.715 4.730 0.000 1.00 0.00 H ATOM 15 CA LEU A 2 7.640 3.839 0.000 1.00 0.00 C ATOM 16 HA LEU A 2 8.004 3.325 0.890 1.00 0.00 H ATOM 17 CB LEU A 2 8.189 3.127 -1.232 1.00 0.00 C ATOM 18 HB2 LEU A 2 7.841 2.094 -1.241 1.00 0.00 H ATOM 19 HB3 LEU A 2 7.841 3.636 -2.131 1.00 0.00 H ATOM 20 CG LEU A 2 9.713 3.149 -1.195 1.00 0.00 C ATOM 21 HG LEU A 2 10.062 4.181 -1.186 1.00 0.00 H ATOM 22 CD1 LEU A 2 10.201 2.437 0.063 1.00 0.00 C ATOM 23 HD11 LEU A 2 9.853 1.404 0.055 1.00 0.00 H ATOM 24 HD12 LEU A 2 11.291 2.452 0.090 1.00 0.00 H ATOM 25 HD13 LEU A 2 9.809 2.945 0.944 1.00 0.00 H ATOM 26 CD2 LEU A 2 10.262 2.438 -2.427 1.00 0.00 C ATOM 27 HD21 LEU A 2 9.914 2.946 -3.326 1.00 0.00 H ATOM 28 HD22 LEU A 2 11.352 2.453 -2.400 1.00 0.00 H ATOM 29 HD23 LEU A 2 9.914 1.405 -2.436 1.00 0.00 H ATOM 30 C LEU A 2 8.188 5.259 0.000 1.00 0.00 C ATOM 31 O LEU A 2 7.425 6.222 0.000 1.00 0.00 O ATOM 32 N GLU A 3 9.517 5.386 0.000 1.00 0.00 N ATOM 33 H GLU A 3 10.103 4.564 0.000 1.00 0.00 H ATOM 34 CA GLU A 3 10.161 6.684 0.000 1.00 0.00 C ATOM 35 HA GLU A 3 9.863 7.239 -0.890 1.00 0.00 H ATOM 36 CB GLU A 3 9.768 7.492 1.232 1.00 0.00 C ATOM 37 HB2 GLU A 3 8.688 7.640 1.241 1.00 0.00 H ATOM 38 HB3 GLU A 3 10.068 6.954 2.131 1.00 0.00 H ATOM 39 CG GLU A 3 10.458 8.835 1.195 1.00 0.00 C ATOM 40 HG2 GLU A 3 11.538 8.688 1.186 1.00 0.00 H ATOM 41 HG3 GLU A 3 10.158 9.374 0.296 1.00 0.00 H ATOM 42 CD GLU A 3 10.065 9.644 2.429 1.00 0.00 C ATOM 43 OE1 GLU A 3 10.786 9.518 3.454 1.00 0.00 O ATOM 44 OE2 GLU A 3 9.047 10.381 2.334 1.00 0.00 O ATOM 45 C GLU A 3 11.677 6.544 0.000 1.00 0.00 C ATOM 46 O GLU A 3 12.200 5.432 0.000 1.00 0.00 O ATOM 47 N PHE A 4 12.382 7.677 0.000 1.00 0.00 N ATOM 48 H PHE A 4 11.906 8.568 0.000 1.00 0.00 H ATOM 49 CA PHE A 4 13.831 7.677 0.000 1.00 0.00 C ATOM 50 HA PHE A 4 14.195 7.163 0.890 1.00 0.00 H ATOM 51 CB PHE A 4 14.380 6.966 -1.232 1.00 0.00 C ATOM 52 HB2 PHE A 4 14.032 5.933 -1.241 1.00 0.00 H ATOM 53 HB3 PHE A 4 14.032 7.474 -2.131 1.00 0.00 H ATOM 54 CG PHE A 4 15.887 6.914 -1.321 1.00 0.00 C ATOM 55 CD1 PHE A 4 16.502 6.286 -2.410 1.00 0.00 C ATOM 56 HD1 PHE A 4 15.894 5.833 -3.193 1.00 0.00 H ATOM 57 CE1 PHE A 4 17.899 6.238 -2.492 1.00 0.00 C ATOM 58 HE1 PHE A 4 18.379 5.749 -3.340 1.00 0.00 H ATOM 59 CZ PHE A 4 18.680 6.819 -1.486 1.00 0.00 C ATOM 60 HZ PHE A 4 19.768 6.782 -1.550 1.00 0.00 H ATOM 61 CE2 PHE A 4 18.064 7.448 -0.397 1.00 0.00 C ATOM 62 HE2 PHE A 4 18.672 7.900 0.386 1.00 0.00 H ATOM 63 CD2 PHE A 4 16.667 7.495 -0.315 1.00 0.00 C ATOM 64 HD2 PHE A 4 16.188 7.985 0.533 1.00 0.00 H ATOM 65 C PHE A 4 14.379 9.097 0.000 1.00 0.00 C ATOM 66 O PHE A 4 13.616 10.060 0.000 1.00 0.00 O ATOM 67 OXT PHE A 4 15.661 9.064 0.065 1.00 0.00 O TER 68 PHE A 4 END