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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-02
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.493 1.312 0.837 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.644 1.445 -0.988 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 HIS A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H HIS A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA HIS A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA HIS A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB HIS A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 HIS A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 HIS A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG HIS A 2 9.696 3.076 -1.321 1.00 0.00 C
ATOM 21 ND1 HIS A 2 10.350 2.463 -2.383 1.00 0.00 N
ATOM 22 CE1 HIS A 2 11.650 2.579 -2.183 1.00 0.00 C
ATOM 23 HE1 HIS A 2 12.352 2.162 -2.905 1.00 0.00 H
ATOM 24 NE2 HIS A 2 11.852 3.226 -1.062 1.00 0.00 N
ATOM 25 HE2 HIS A 2 12.759 3.448 -0.677 1.00 0.00 H
ATOM 26 CD2 HIS A 2 10.662 3.554 -0.492 1.00 0.00 C
ATOM 27 HD2 HIS A 2 10.641 4.099 0.451 1.00 0.00 H
ATOM 28 C HIS A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 29 O HIS A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 30 N SER A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 31 H SER A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 32 CA SER A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 33 HA SER A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 34 CB SER A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 35 HB2 SER A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 36 HB3 SER A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 37 OG SER A 3 10.422 8.764 1.197 1.00 0.00 O
ATOM 38 HG SER A 3 10.174 9.272 1.973 1.00 0.00 H
ATOM 39 C SER A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 40 O SER A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 41 N HIS A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 42 H HIS A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 43 CA HIS A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 44 HA HIS A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 45 CB HIS A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 46 HB2 HIS A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 47 HB3 HIS A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 48 CG HIS A 4 15.887 6.914 -1.321 1.00 0.00 C
ATOM 49 ND1 HIS A 4 16.541 6.301 -2.383 1.00 0.00 N
ATOM 50 CE1 HIS A 4 17.841 6.417 -2.183 1.00 0.00 C
ATOM 51 HE1 HIS A 4 18.543 6.000 -2.905 1.00 0.00 H
ATOM 52 NE2 HIS A 4 18.043 7.064 -1.062 1.00 0.00 N
ATOM 53 HE2 HIS A 4 18.950 7.286 -0.677 1.00 0.00 H
ATOM 54 CD2 HIS A 4 16.853 7.393 -0.492 1.00 0.00 C
ATOM 55 HD2 HIS A 4 16.832 7.938 0.451 1.00 0.00 H
ATOM 56 C HIS A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 57 O HIS A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 58 OXT HIS A 4 15.662 9.061 0.080 1.00 0.00 O
TER 59 HIS A 4
END
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