REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-13 ATOM 1 N ASP A 1 3.326 1.548 0.000 1.00 0.00 N ATOM 2 H2 ASP A 1 2.645 1.448 -0.989 1.00 0.00 H ATOM 3 H3 ASP A 1 2.495 1.310 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 GLN A 2 6.191 3.839 0.000 1.00 0.00 N ATOM 16 H GLN A 2 5.715 4.730 0.000 1.00 0.00 H ATOM 17 CA GLN A 2 7.640 3.839 0.000 1.00 0.00 C ATOM 18 HA GLN A 2 8.004 3.325 0.890 1.00 0.00 H ATOM 19 CB GLN A 2 8.189 3.127 -1.232 1.00 0.00 C ATOM 20 HB2 GLN A 2 7.841 2.094 -1.241 1.00 0.00 H ATOM 21 HB3 GLN A 2 7.841 3.636 -2.131 1.00 0.00 H ATOM 22 CG GLN A 2 9.713 3.149 -1.195 1.00 0.00 C ATOM 23 HG2 GLN A 2 10.062 4.181 -1.186 1.00 0.00 H ATOM 24 HG3 GLN A 2 10.062 2.640 -0.296 1.00 0.00 H ATOM 25 CD GLN A 2 10.301 2.447 -2.410 1.00 0.00 C ATOM 26 OE1 GLN A 2 9.566 1.955 -3.263 1.00 0.00 O ATOM 27 NE2 GLN A 2 11.633 2.402 -2.488 1.00 0.00 N ATOM 28 HE21 GLN A 2 12.075 1.948 -3.275 1.00 0.00 H ATOM 29 HE22 GLN A 2 12.193 2.822 -1.760 1.00 0.00 H ATOM 30 C GLN A 2 8.188 5.259 0.000 1.00 0.00 C ATOM 31 O GLN A 2 7.425 6.222 0.000 1.00 0.00 O ATOM 32 N VAL A 3 9.517 5.386 0.000 1.00 0.00 N ATOM 33 H VAL A 3 10.103 4.564 0.000 1.00 0.00 H ATOM 34 CA VAL A 3 10.161 6.684 0.000 1.00 0.00 C ATOM 35 HA VAL A 3 9.863 7.239 -0.890 1.00 0.00 H ATOM 36 CB VAL A 3 9.768 7.492 1.232 1.00 0.00 C ATOM 37 HB VAL A 3 8.688 7.640 1.241 1.00 0.00 H ATOM 38 CG1 VAL A 3 10.189 6.739 2.490 1.00 0.00 C ATOM 39 HG11 VAL A 3 11.269 6.592 2.481 1.00 0.00 H ATOM 40 HG12 VAL A 3 9.908 7.316 3.371 1.00 0.00 H ATOM 41 HG13 VAL A 3 9.691 5.770 2.517 1.00 0.00 H ATOM 42 CG2 VAL A 3 10.465 8.848 1.195 1.00 0.00 C ATOM 43 HG21 VAL A 3 10.165 9.387 0.296 1.00 0.00 H ATOM 44 HG22 VAL A 3 10.185 9.426 2.075 1.00 0.00 H ATOM 45 HG23 VAL A 3 11.545 8.702 1.186 1.00 0.00 H ATOM 46 C VAL A 3 11.677 6.544 0.000 1.00 0.00 C ATOM 47 O VAL A 3 12.200 5.432 0.000 1.00 0.00 O ATOM 48 N GLU A 4 12.382 7.677 0.000 1.00 0.00 N ATOM 49 H GLU A 4 11.906 8.568 0.000 1.00 0.00 H ATOM 50 CA GLU A 4 13.831 7.677 0.000 1.00 0.00 C ATOM 51 HA GLU A 4 14.195 7.163 0.890 1.00 0.00 H ATOM 52 CB GLU A 4 14.380 6.966 -1.232 1.00 0.00 C ATOM 53 HB2 GLU A 4 14.032 5.933 -1.241 1.00 0.00 H ATOM 54 HB3 GLU A 4 14.032 7.474 -2.131 1.00 0.00 H ATOM 55 CG GLU A 4 15.889 6.987 -1.195 1.00 0.00 C ATOM 56 HG2 GLU A 4 16.238 8.020 -1.186 1.00 0.00 H ATOM 57 HG3 GLU A 4 16.238 6.479 -0.296 1.00 0.00 H ATOM 58 CD GLU A 4 16.439 6.275 -2.429 1.00 0.00 C ATOM 59 OE1 GLU A 4 16.646 6.977 -3.454 1.00 0.00 O ATOM 60 OE2 GLU A 4 16.646 5.036 -2.334 1.00 0.00 O ATOM 61 C GLU A 4 14.379 9.097 0.000 1.00 0.00 C ATOM 62 O GLU A 4 13.616 10.060 0.000 1.00 0.00 O ATOM 63 OXT GLU A 4 15.666 9.052 0.061 1.00 0.00 O TER 64 GLU A 4 END