File size: 4,857 Bytes
523459f |
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 |
REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-10
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 1.310 0.838 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.638 1.451 -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 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 ILE A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 24 H ILE A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 25 CA ILE A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 26 HA ILE A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 27 CB ILE A 3 9.743 7.459 1.245 1.00 0.00 C
ATOM 28 HB ILE A 3 8.661 7.591 1.246 1.00 0.00 H
ATOM 29 CG2 ILE A 3 10.161 6.684 2.490 1.00 0.00 C
ATOM 30 HG21 ILE A 3 11.243 6.553 2.491 1.00 0.00 H
ATOM 31 HG22 ILE A 3 9.863 7.238 3.381 1.00 0.00 H
ATOM 32 HG23 ILE A 3 9.677 5.708 2.491 1.00 0.00 H
ATOM 33 CG1 ILE A 3 10.421 8.825 1.245 1.00 0.00 C
ATOM 34 HG12 ILE A 3 11.503 8.694 1.245 1.00 0.00 H
ATOM 35 HG13 ILE A 3 10.123 9.380 0.355 1.00 0.00 H
ATOM 36 CD1 ILE A 3 10.003 9.600 2.490 1.00 0.00 C
ATOM 37 HD11 ILE A 3 10.302 9.047 3.381 1.00 0.00 H
ATOM 38 HD12 ILE A 3 10.488 10.577 2.491 1.00 0.00 H
ATOM 39 HD13 ILE A 3 8.921 9.732 2.491 1.00 0.00 H
ATOM 40 C ILE A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 41 O ILE A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 42 N GLN A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 43 H GLN A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 44 CA GLN A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 45 HA GLN A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 46 CB GLN A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 47 HB2 GLN A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 48 HB3 GLN A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 49 CG GLN A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 50 HG2 GLN A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 51 HG3 GLN A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 52 CD GLN A 4 16.492 6.286 -2.410 1.00 0.00 C
ATOM 53 OE1 GLN A 4 15.757 5.793 -3.263 1.00 0.00 O
ATOM 54 NE2 GLN A 4 17.824 6.241 -2.488 1.00 0.00 N
ATOM 55 HE21 GLN A 4 18.266 5.786 -3.275 1.00 0.00 H
ATOM 56 HE22 GLN A 4 18.384 6.661 -1.760 1.00 0.00 H
ATOM 57 C GLN A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 58 O GLN A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 59 OXT GLN A 4 15.666 9.052 0.057 1.00 0.00 O
TER 60 GLN A 4
END
|