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REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-18
ATOM 1 N CYS A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 CYS A 1 2.494 1.321 0.840 1.00 0.00 H
ATOM 3 H3 CYS A 1 2.643 1.440 -0.987 1.00 0.00 H
ATOM 4 H CYS A 1 3.909 0.724 0.000 1.00 0.00 H
ATOM 5 CA CYS A 1 3.970 2.846 0.000 1.00 0.00 C
ATOM 6 HA CYS A 1 3.672 3.400 -0.890 1.00 0.00 H
ATOM 7 CB CYS A 1 3.577 3.654 1.232 1.00 0.00 C
ATOM 8 HB2 CYS A 1 2.497 3.801 1.241 1.00 0.00 H
ATOM 9 HB3 CYS A 1 3.877 3.116 2.131 1.00 0.00 H
ATOM 10 SG CYS A 1 4.310 5.304 1.366 1.00 0.00 S
ATOM 11 HG CYS A 1 3.725 5.622 2.518 1.00 0.00 H
ATOM 12 C CYS A 1 5.486 2.705 0.000 1.00 0.00 C
ATOM 13 O CYS A 1 6.009 1.593 0.000 1.00 0.00 O
ATOM 14 N SER A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 15 H SER A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 16 CA SER A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 17 HA SER A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 18 CB SER A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 19 HB2 SER A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 20 HB3 SER A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 21 OG SER A 2 9.618 3.148 -1.197 1.00 0.00 O
ATOM 22 HG SER A 2 9.964 2.700 -1.973 1.00 0.00 H
ATOM 23 C SER A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 24 O SER A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 25 N PHE A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 26 H PHE A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 27 CA PHE A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 28 HA PHE A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 29 CB PHE A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 30 HB2 PHE A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 31 HB3 PHE A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 32 CG PHE A 3 10.392 8.865 1.321 1.00 0.00 C
ATOM 33 CD1 PHE A 3 10.103 9.696 2.410 1.00 0.00 C
ATOM 34 HD1 PHE A 3 9.427 9.352 3.193 1.00 0.00 H
ATOM 35 CE1 PHE A 3 10.681 10.968 2.492 1.00 0.00 C
ATOM 36 HE1 PHE A 3 10.456 11.615 3.340 1.00 0.00 H
ATOM 37 CZ PHE A 3 11.549 11.409 1.486 1.00 0.00 C
ATOM 38 HZ PHE A 3 11.999 12.400 1.550 1.00 0.00 H
ATOM 39 CE2 PHE A 3 11.838 10.578 0.397 1.00 0.00 C
ATOM 40 HE2 PHE A 3 12.513 10.921 -0.386 1.00 0.00 H
ATOM 41 CD2 PHE A 3 11.259 9.306 0.315 1.00 0.00 C
ATOM 42 HD2 PHE A 3 11.485 8.659 -0.533 1.00 0.00 H
ATOM 43 C PHE A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 44 O PHE A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 45 N GLN A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 46 H GLN A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 47 CA GLN A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 48 HA GLN A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 49 CB GLN A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 50 HB2 GLN A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 51 HB3 GLN A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 52 CG GLN A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 53 HG2 GLN A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 54 HG3 GLN A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 55 CD GLN A 4 16.492 6.286 -2.410 1.00 0.00 C
ATOM 56 OE1 GLN A 4 15.757 5.793 -3.263 1.00 0.00 O
ATOM 57 NE2 GLN A 4 17.824 6.241 -2.488 1.00 0.00 N
ATOM 58 HE21 GLN A 4 18.266 5.786 -3.275 1.00 0.00 H
ATOM 59 HE22 GLN A 4 18.384 6.661 -1.760 1.00 0.00 H
ATOM 60 C GLN A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 61 O GLN A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 62 OXT GLN A 4 15.667 9.054 0.027 1.00 0.00 O
TER 63 GLN A 4
END
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