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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-08
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.491 1.308 0.833 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.649 1.444 -0.992 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 GLY A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H GLY A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA GLY A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA2 GLY A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 HA3 GLY A 2 8.004 3.325 -0.890 1.00 0.00 H
ATOM 18 C GLY A 2 8.171 5.265 0.000 1.00 0.00 C
ATOM 19 O GLY A 2 7.395 6.219 0.000 1.00 0.00 O
ATOM 20 N GLN A 3 9.498 5.409 0.000 1.00 0.00 N
ATOM 21 H GLN A 3 10.094 4.594 0.000 1.00 0.00 H
ATOM 22 CA GLN A 3 10.126 6.715 0.000 1.00 0.00 C
ATOM 23 HA GLN A 3 9.821 7.266 -0.890 1.00 0.00 H
ATOM 24 CB GLN A 3 9.723 7.518 1.232 1.00 0.00 C
ATOM 25 HB2 GLN A 3 8.641 7.652 1.241 1.00 0.00 H
ATOM 26 HB3 GLN A 3 10.030 6.984 2.131 1.00 0.00 H
ATOM 27 CG GLN A 3 10.404 8.882 1.195 1.00 0.00 C
ATOM 28 HG2 GLN A 3 11.486 8.749 1.186 1.00 0.00 H
ATOM 29 HG3 GLN A 3 10.097 9.417 0.296 1.00 0.00 H
ATOM 30 CD GLN A 3 10.026 9.717 2.410 1.00 0.00 C
ATOM 31 OE1 GLN A 3 9.264 9.267 3.263 1.00 0.00 O
ATOM 32 NE2 GLN A 3 10.563 10.936 2.488 1.00 0.00 N
ATOM 33 HE21 GLN A 3 10.346 11.531 3.275 1.00 0.00 H
ATOM 34 HE22 GLN A 3 11.185 11.259 1.760 1.00 0.00 H
ATOM 35 C GLN A 3 11.643 6.593 0.000 1.00 0.00 C
ATOM 36 O GLN A 3 12.180 5.487 0.000 1.00 0.00 O
ATOM 37 N LEU A 4 12.335 7.735 0.000 1.00 0.00 N
ATOM 38 H LEU A 4 11.848 8.620 0.000 1.00 0.00 H
ATOM 39 CA LEU A 4 13.784 7.753 0.000 1.00 0.00 C
ATOM 40 HA LEU A 4 14.154 7.243 0.890 1.00 0.00 H
ATOM 41 CB LEU A 4 14.341 7.048 -1.232 1.00 0.00 C
ATOM 42 HB2 LEU A 4 14.006 6.011 -1.241 1.00 0.00 H
ATOM 43 HB3 LEU A 4 13.987 7.552 -2.131 1.00 0.00 H
ATOM 44 CG LEU A 4 15.865 7.088 -1.195 1.00 0.00 C
ATOM 45 HG LEU A 4 16.202 8.125 -1.186 1.00 0.00 H
ATOM 46 CD1 LEU A 4 16.362 6.382 0.063 1.00 0.00 C
ATOM 47 HD11 LEU A 4 16.026 5.345 0.055 1.00 0.00 H
ATOM 48 HD12 LEU A 4 17.451 6.411 0.090 1.00 0.00 H
ATOM 49 HD13 LEU A 4 15.963 6.886 0.944 1.00 0.00 H
ATOM 50 CD2 LEU A 4 16.423 6.384 -2.427 1.00 0.00 C
ATOM 51 HD21 LEU A 4 16.068 6.888 -3.326 1.00 0.00 H
ATOM 52 HD22 LEU A 4 17.512 6.412 -2.400 1.00 0.00 H
ATOM 53 HD23 LEU A 4 16.087 5.347 -2.436 1.00 0.00 H
ATOM 54 C LEU A 4 14.314 9.179 0.000 1.00 0.00 C
ATOM 55 O LEU A 4 13.539 10.133 0.000 1.00 0.00 O
ATOM 56 OXT LEU A 4 15.602 9.160 0.038 1.00 0.00 O
TER 57 LEU A 4
END
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