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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 2.644 1.447 -0.989 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.490 1.314 0.834 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 LEU A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H LEU A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA LEU A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA LEU A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB LEU A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 LEU A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 LEU A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG LEU A 2 9.713 3.149 -1.195 1.00 0.00 C
ATOM 21 HG LEU A 2 10.062 4.181 -1.186 1.00 0.00 H
ATOM 22 CD1 LEU A 2 10.201 2.437 0.063 1.00 0.00 C
ATOM 23 HD11 LEU A 2 9.853 1.404 0.055 1.00 0.00 H
ATOM 24 HD12 LEU A 2 11.291 2.452 0.090 1.00 0.00 H
ATOM 25 HD13 LEU A 2 9.809 2.945 0.944 1.00 0.00 H
ATOM 26 CD2 LEU A 2 10.262 2.438 -2.427 1.00 0.00 C
ATOM 27 HD21 LEU A 2 9.914 2.946 -3.326 1.00 0.00 H
ATOM 28 HD22 LEU A 2 11.352 2.453 -2.400 1.00 0.00 H
ATOM 29 HD23 LEU A 2 9.914 1.405 -2.436 1.00 0.00 H
ATOM 30 C LEU A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 31 O LEU A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 32 N THR A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 33 H THR A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 34 CA THR A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 35 HA THR A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 36 CB THR A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 37 HB THR A 3 10.266 8.462 1.206 1.00 0.00 H
ATOM 38 CG2 THR A 3 8.257 7.698 1.244 1.00 0.00 C
ATOM 39 HG21 THR A 3 7.758 6.729 1.271 1.00 0.00 H
ATOM 40 HG22 THR A 3 7.975 8.276 2.125 1.00 0.00 H
ATOM 41 HG23 THR A 3 7.956 8.236 0.346 1.00 0.00 H
ATOM 42 OG1 THR A 3 10.163 6.786 2.411 1.00 0.00 O
ATOM 43 HG1 THR A 3 9.915 7.295 3.187 1.00 0.00 H
ATOM 44 C THR A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 45 O THR A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 46 N GLN A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 47 H GLN A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 48 CA GLN A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 49 HA GLN A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 50 CB GLN A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 51 HB2 GLN A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 52 HB3 GLN A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 53 CG GLN A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 54 HG2 GLN A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 55 HG3 GLN A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 56 CD GLN A 4 16.492 6.286 -2.410 1.00 0.00 C
ATOM 57 OE1 GLN A 4 15.757 5.793 -3.263 1.00 0.00 O
ATOM 58 NE2 GLN A 4 17.824 6.241 -2.488 1.00 0.00 N
ATOM 59 HE21 GLN A 4 18.266 5.786 -3.275 1.00 0.00 H
ATOM 60 HE22 GLN A 4 18.384 6.661 -1.760 1.00 0.00 H
ATOM 61 C GLN A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 62 O GLN A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 63 OXT GLN A 4 15.665 9.050 0.065 1.00 0.00 O
TER 64 GLN A 4
END
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