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REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-13
ATOM 1 N GLU A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 GLU A 1 2.645 1.442 -0.989 1.00 0.00 H
ATOM 3 H3 GLU A 1 2.498 1.312 0.842 1.00 0.00 H
ATOM 4 H GLU A 1 3.909 0.724 0.000 1.00 0.00 H
ATOM 5 CA GLU A 1 3.970 2.846 0.000 1.00 0.00 C
ATOM 6 HA GLU A 1 3.672 3.400 -0.890 1.00 0.00 H
ATOM 7 CB GLU A 1 3.577 3.654 1.232 1.00 0.00 C
ATOM 8 HB2 GLU A 1 2.497 3.801 1.241 1.00 0.00 H
ATOM 9 HB3 GLU A 1 3.877 3.116 2.131 1.00 0.00 H
ATOM 10 CG GLU A 1 4.267 4.996 1.195 1.00 0.00 C
ATOM 11 HG2 GLU A 1 5.347 4.850 1.186 1.00 0.00 H
ATOM 12 HG3 GLU A 1 3.967 5.535 0.296 1.00 0.00 H
ATOM 13 CD GLU A 1 3.874 5.805 2.429 1.00 0.00 C
ATOM 14 OE1 GLU A 1 4.595 5.679 3.454 1.00 0.00 O
ATOM 15 OE2 GLU A 1 2.856 6.542 2.334 1.00 0.00 O
ATOM 16 C GLU A 1 5.486 2.705 0.000 1.00 0.00 C
ATOM 17 O GLU A 1 6.009 1.593 0.000 1.00 0.00 O
ATOM 18 N PHE A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 19 H PHE A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 20 CA PHE A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 21 HA PHE A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 22 CB PHE A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 23 HB2 PHE A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 24 HB3 PHE A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 25 CG PHE A 2 9.696 3.076 -1.321 1.00 0.00 C
ATOM 26 CD1 PHE A 2 10.311 2.447 -2.410 1.00 0.00 C
ATOM 27 HD1 PHE A 2 9.703 1.995 -3.193 1.00 0.00 H
ATOM 28 CE1 PHE A 2 11.708 2.400 -2.492 1.00 0.00 C
ATOM 29 HE1 PHE A 2 12.188 1.910 -3.340 1.00 0.00 H
ATOM 30 CZ PHE A 2 12.489 2.981 -1.486 1.00 0.00 C
ATOM 31 HZ PHE A 2 13.576 2.944 -1.550 1.00 0.00 H
ATOM 32 CE2 PHE A 2 11.873 3.609 -0.397 1.00 0.00 C
ATOM 33 HE2 PHE A 2 12.481 4.062 0.386 1.00 0.00 H
ATOM 34 CD2 PHE A 2 10.476 3.657 -0.315 1.00 0.00 C
ATOM 35 HD2 PHE A 2 9.997 4.146 0.533 1.00 0.00 H
ATOM 36 C PHE A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 37 O PHE A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 38 N LEU A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 39 H LEU A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 40 CA LEU A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 41 HA LEU A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 42 CB LEU A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 43 HB2 LEU A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 44 HB3 LEU A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 45 CG LEU A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 46 HG LEU A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 47 CD1 LEU A 3 10.044 9.601 -0.063 1.00 0.00 C
ATOM 48 HD11 LEU A 3 8.964 9.749 -0.055 1.00 0.00 H
ATOM 49 HD12 LEU A 3 10.543 10.571 -0.090 1.00 0.00 H
ATOM 50 HD13 LEU A 3 10.325 9.024 -0.944 1.00 0.00 H
ATOM 51 CD2 LEU A 3 10.072 9.656 2.427 1.00 0.00 C
ATOM 52 HD21 LEU A 3 10.373 9.118 3.326 1.00 0.00 H
ATOM 53 HD22 LEU A 3 10.570 10.625 2.400 1.00 0.00 H
ATOM 54 HD23 LEU A 3 8.992 9.803 2.436 1.00 0.00 H
ATOM 55 C LEU A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 56 O LEU A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 57 N GLY A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 58 H GLY A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 59 CA GLY A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 60 HA2 GLY A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 61 HA3 GLY A 4 14.195 7.163 -0.890 1.00 0.00 H
ATOM 62 C GLY A 4 14.362 9.104 0.000 1.00 0.00 C
ATOM 63 O GLY A 4 13.586 10.057 0.000 1.00 0.00 O
ATOM 64 OXT GLY A 4 15.647 9.047 -0.009 1.00 0.00 O
TER 65 GLY A 4
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