File size: 5,343 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 |
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 2.494 1.318 0.840 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.639 1.446 -0.985 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 LYS A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H LYS A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA LYS A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA LYS A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB LYS A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 LYS A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 LYS A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG LYS A 2 9.713 3.149 -1.195 1.00 0.00 C
ATOM 21 HG2 LYS A 2 10.062 4.181 -1.186 1.00 0.00 H
ATOM 22 HG3 LYS A 2 10.062 2.640 -0.296 1.00 0.00 H
ATOM 23 CD LYS A 2 10.262 2.438 -2.427 1.00 0.00 C
ATOM 24 HD2 LYS A 2 9.914 1.405 -2.436 1.00 0.00 H
ATOM 25 HD3 LYS A 2 9.914 2.946 -3.326 1.00 0.00 H
ATOM 26 CE LYS A 2 11.787 2.459 -2.389 1.00 0.00 C
ATOM 27 HE2 LYS A 2 12.136 3.492 -2.380 1.00 0.00 H
ATOM 28 HE3 LYS A 2 12.136 1.951 -1.491 1.00 0.00 H
ATOM 29 NZ LYS A 2 12.316 1.773 -3.577 1.00 0.00 N
ATOM 30 HZ1 LYS A 2 11.993 2.245 -4.410 1.00 0.00 H
ATOM 31 HZ2 LYS A 2 13.326 1.788 -3.552 1.00 0.00 H
ATOM 32 HZ3 LYS A 2 11.993 0.817 -3.585 1.00 0.00 H
ATOM 33 C LYS A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 34 O LYS A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 35 N SER A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 36 H SER A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 37 CA SER A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 38 HA SER A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 39 CB SER A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 40 HB2 SER A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 41 HB3 SER A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 42 OG SER A 3 10.422 8.764 1.197 1.00 0.00 O
ATOM 43 HG SER A 3 10.174 9.272 1.973 1.00 0.00 H
ATOM 44 C SER A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 45 O SER A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 46 N LEU A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 47 H LEU A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 48 CA LEU A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 49 HA LEU A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 50 CB LEU A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 51 HB2 LEU A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 52 HB3 LEU A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 53 CG LEU A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 54 HG LEU A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 55 CD1 LEU A 4 16.392 6.276 0.063 1.00 0.00 C
ATOM 56 HD11 LEU A 4 16.044 5.243 0.055 1.00 0.00 H
ATOM 57 HD12 LEU A 4 17.482 6.291 0.090 1.00 0.00 H
ATOM 58 HD13 LEU A 4 16.000 6.784 0.944 1.00 0.00 H
ATOM 59 CD2 LEU A 4 16.453 6.276 -2.427 1.00 0.00 C
ATOM 60 HD21 LEU A 4 16.105 6.785 -3.326 1.00 0.00 H
ATOM 61 HD22 LEU A 4 17.543 6.291 -2.400 1.00 0.00 H
ATOM 62 HD23 LEU A 4 16.105 5.243 -2.436 1.00 0.00 H
ATOM 63 C LEU A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 64 O LEU A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 65 OXT LEU A 4 15.666 9.061 0.053 1.00 0.00 O
TER 66 LEU A 4
END
|