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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-13
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.637 1.452 -0.984 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.498 1.320 0.844 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 CYS A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H CYS A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA CYS A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA CYS A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB CYS A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 CYS A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 CYS A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 SG CYS A 2 9.992 3.050 -1.366 1.00 0.00 S
ATOM 21 HG CYS A 2 10.018 2.385 -2.518 1.00 0.00 H
ATOM 22 C CYS A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 23 O CYS A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 24 N LEU A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 25 H LEU A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 26 CA LEU A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 27 HA LEU A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 28 CB LEU A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 29 HB2 LEU A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 30 HB3 LEU A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 31 CG LEU A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 32 HG LEU A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 33 CD1 LEU A 3 10.044 9.601 -0.063 1.00 0.00 C
ATOM 34 HD11 LEU A 3 8.964 9.749 -0.055 1.00 0.00 H
ATOM 35 HD12 LEU A 3 10.543 10.571 -0.090 1.00 0.00 H
ATOM 36 HD13 LEU A 3 10.325 9.024 -0.944 1.00 0.00 H
ATOM 37 CD2 LEU A 3 10.072 9.656 2.427 1.00 0.00 C
ATOM 38 HD21 LEU A 3 10.373 9.118 3.326 1.00 0.00 H
ATOM 39 HD22 LEU A 3 10.570 10.625 2.400 1.00 0.00 H
ATOM 40 HD23 LEU A 3 8.992 9.803 2.436 1.00 0.00 H
ATOM 41 C LEU A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 42 O LEU A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 43 N THR A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 44 H THR A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 45 CA THR A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 46 HA THR A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 47 CB THR A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 48 HB THR A 4 15.470 6.981 -1.206 1.00 0.00 H
ATOM 49 CG2 THR A 4 13.892 5.521 -1.244 1.00 0.00 C
ATOM 50 HG21 THR A 4 12.803 5.505 -1.271 1.00 0.00 H
ATOM 51 HG22 THR A 4 14.284 5.012 -2.125 1.00 0.00 H
ATOM 52 HG23 THR A 4 14.241 5.012 -0.346 1.00 0.00 H
ATOM 53 OG1 THR A 4 13.923 7.633 -2.411 1.00 0.00 O
ATOM 54 HG1 THR A 4 14.268 7.185 -3.187 1.00 0.00 H
ATOM 55 C THR A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 56 O THR A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 57 OXT THR A 4 15.667 9.044 0.029 1.00 0.00 O
TER 58 THR A 4
END
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