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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 2.496 1.305 0.837 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.642 1.453 -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 GLU A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H GLU A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA GLU A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA GLU A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB GLU A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 GLU A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 GLU A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG GLU A 2 9.698 3.149 -1.195 1.00 0.00 C
ATOM 21 HG2 GLU A 2 10.047 4.181 -1.186 1.00 0.00 H
ATOM 22 HG3 GLU A 2 10.047 2.640 -0.296 1.00 0.00 H
ATOM 23 CD GLU A 2 10.248 2.436 -2.429 1.00 0.00 C
ATOM 24 OE1 GLU A 2 10.455 3.138 -3.454 1.00 0.00 O
ATOM 25 OE2 GLU A 2 10.455 1.197 -2.334 1.00 0.00 O
ATOM 26 C GLU A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 27 O GLU A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 28 N GLU A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 29 H GLU A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 30 CA GLU A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 31 HA GLU A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 32 CB GLU A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 33 HB2 GLU A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 34 HB3 GLU A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 35 CG GLU A 3 10.458 8.835 1.195 1.00 0.00 C
ATOM 36 HG2 GLU A 3 11.538 8.688 1.186 1.00 0.00 H
ATOM 37 HG3 GLU A 3 10.158 9.374 0.296 1.00 0.00 H
ATOM 38 CD GLU A 3 10.065 9.644 2.429 1.00 0.00 C
ATOM 39 OE1 GLU A 3 10.786 9.518 3.454 1.00 0.00 O
ATOM 40 OE2 GLU A 3 9.047 10.381 2.334 1.00 0.00 O
ATOM 41 C GLU A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 42 O GLU A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 43 N CYS A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 44 H CYS A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 45 CA CYS A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 46 HA CYS A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 47 CB CYS A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 48 HB2 CYS A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 49 HB3 CYS A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 50 SG CYS A 4 16.183 6.888 -1.366 1.00 0.00 S
ATOM 51 HG CYS A 4 16.209 6.224 -2.518 1.00 0.00 H
ATOM 52 C CYS A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 53 O CYS A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 54 OXT CYS A 4 15.666 9.045 0.034 1.00 0.00 O
TER 55 CYS A 4
END
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