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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 2.636 1.447 -0.983 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.495 1.316 0.839 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 HIS A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 33 H HIS A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 34 CA HIS A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 35 HA HIS A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 36 CB HIS A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 37 HB2 HIS A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 38 HB3 HIS A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 39 CG HIS A 3 10.392 8.865 1.321 1.00 0.00 C
ATOM 40 ND1 HIS A 3 10.134 9.724 2.383 1.00 0.00 N
ATOM 41 CE1 HIS A 3 10.815 10.836 2.183 1.00 0.00 C
ATOM 42 HE1 HIS A 3 10.754 11.650 2.905 1.00 0.00 H
ATOM 43 NE2 HIS A 3 11.485 10.730 1.062 1.00 0.00 N
ATOM 44 HE2 HIS A 3 12.087 11.444 0.677 1.00 0.00 H
ATOM 45 CD2 HIS A 3 11.250 9.517 0.492 1.00 0.00 C
ATOM 46 HD2 HIS A 3 11.729 9.256 -0.451 1.00 0.00 H
ATOM 47 C HIS A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 48 O HIS A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 49 N VAL A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 50 H VAL A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 51 CA VAL A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 52 HA VAL A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 53 CB VAL A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 54 HB VAL A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 55 CG1 VAL A 4 13.892 7.678 -2.490 1.00 0.00 C
ATOM 56 HG11 VAL A 4 14.241 8.710 -2.481 1.00 0.00 H
ATOM 57 HG12 VAL A 4 14.284 7.170 -3.371 1.00 0.00 H
ATOM 58 HG13 VAL A 4 12.803 7.662 -2.517 1.00 0.00 H
ATOM 59 CG2 VAL A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 60 HG21 VAL A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 61 HG22 VAL A 4 16.297 6.479 -2.075 1.00 0.00 H
ATOM 62 HG23 VAL A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 63 C VAL A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 64 O VAL A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 65 OXT VAL A 4 15.667 9.054 0.027 1.00 0.00 O
TER 66 VAL A 4
END
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