File size: 5,505 Bytes
4030900 |
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 |
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 2.642 1.450 -0.987 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.494 1.308 0.836 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 GLU A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H GLU A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA GLU A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA GLU A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB GLU A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 GLU A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 GLU A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG GLU A 2 9.698 3.149 -1.195 1.00 0.00 C
ATOM 21 HG2 GLU A 2 10.047 4.181 -1.186 1.00 0.00 H
ATOM 22 HG3 GLU A 2 10.047 2.640 -0.296 1.00 0.00 H
ATOM 23 CD GLU A 2 10.248 2.436 -2.429 1.00 0.00 C
ATOM 24 OE1 GLU A 2 10.455 3.138 -3.454 1.00 0.00 O
ATOM 25 OE2 GLU A 2 10.455 1.197 -2.334 1.00 0.00 O
ATOM 26 C GLU A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 27 O GLU A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 28 N PHE A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 29 H PHE A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 30 CA PHE A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 31 HA PHE A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 32 CB PHE A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 33 HB2 PHE A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 34 HB3 PHE A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 35 CG PHE A 3 10.392 8.865 1.321 1.00 0.00 C
ATOM 36 CD1 PHE A 3 10.103 9.696 2.410 1.00 0.00 C
ATOM 37 HD1 PHE A 3 9.427 9.352 3.193 1.00 0.00 H
ATOM 38 CE1 PHE A 3 10.681 10.968 2.492 1.00 0.00 C
ATOM 39 HE1 PHE A 3 10.456 11.615 3.340 1.00 0.00 H
ATOM 40 CZ PHE A 3 11.549 11.409 1.486 1.00 0.00 C
ATOM 41 HZ PHE A 3 11.999 12.400 1.550 1.00 0.00 H
ATOM 42 CE2 PHE A 3 11.838 10.578 0.397 1.00 0.00 C
ATOM 43 HE2 PHE A 3 12.513 10.921 -0.386 1.00 0.00 H
ATOM 44 CD2 PHE A 3 11.259 9.306 0.315 1.00 0.00 C
ATOM 45 HD2 PHE A 3 11.485 8.659 -0.533 1.00 0.00 H
ATOM 46 C PHE A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 47 O PHE A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 48 N LEU A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 49 H LEU A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 50 CA LEU A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 51 HA LEU A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 52 CB LEU A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 53 HB2 LEU A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 54 HB3 LEU A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 55 CG LEU A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 56 HG LEU A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 57 CD1 LEU A 4 16.392 6.276 0.063 1.00 0.00 C
ATOM 58 HD11 LEU A 4 16.044 5.243 0.055 1.00 0.00 H
ATOM 59 HD12 LEU A 4 17.482 6.291 0.090 1.00 0.00 H
ATOM 60 HD13 LEU A 4 16.000 6.784 0.944 1.00 0.00 H
ATOM 61 CD2 LEU A 4 16.453 6.276 -2.427 1.00 0.00 C
ATOM 62 HD21 LEU A 4 16.105 6.785 -3.326 1.00 0.00 H
ATOM 63 HD22 LEU A 4 17.543 6.291 -2.400 1.00 0.00 H
ATOM 64 HD23 LEU A 4 16.105 5.243 -2.436 1.00 0.00 H
ATOM 65 C LEU A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 66 O LEU A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 67 OXT LEU A 4 15.667 9.064 0.019 1.00 0.00 O
TER 68 LEU A 4
END
|