File size: 5,100 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 |
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 2.495 1.307 0.838 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.645 1.453 -0.989 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 ARG A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 39 H ARG A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 40 CA ARG A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 41 HA ARG A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 42 CB ARG A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 43 HB2 ARG A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 44 HB3 ARG A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 45 CG ARG A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 46 HG2 ARG A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 47 HG3 ARG A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 48 CD ARG A 4 16.453 6.276 -2.427 1.00 0.00 C
ATOM 49 HD2 ARG A 4 16.105 5.243 -2.436 1.00 0.00 H
ATOM 50 HD3 ARG A 4 16.105 6.785 -3.326 1.00 0.00 H
ATOM 51 NE ARG A 4 17.933 6.277 -2.425 1.00 0.00 N
ATOM 52 HE ARG A 4 18.414 6.722 -1.655 1.00 0.00 H
ATOM 53 CZ ARG A 4 18.660 5.720 -3.389 1.00 0.00 C
ATOM 54 NH1 ARG A 4 18.100 5.117 -4.434 1.00 0.00 N
ATOM 55 HH11 ARG A 4 17.093 5.074 -4.509 1.00 0.00 H
ATOM 56 HH12 ARG A 4 18.683 4.705 -5.148 1.00 0.00 H
ATOM 57 NH2 ARG A 4 19.984 5.779 -3.287 1.00 0.00 N
ATOM 58 HH21 ARG A 4 20.406 6.238 -2.492 1.00 0.00 H
ATOM 59 HH22 ARG A 4 20.562 5.365 -4.004 1.00 0.00 H
ATOM 60 C ARG A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 61 O ARG A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 62 OXT ARG A 4 15.666 9.052 0.050 1.00 0.00 O
TER 63 ARG A 4
END
|