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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 2.500 1.314 0.845 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.634 1.451 -0.982 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 GLN A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H GLN A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA GLN A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA GLN A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB GLN A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 GLN A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 GLN A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG GLN A 2 9.713 3.149 -1.195 1.00 0.00 C
ATOM 21 HG2 GLN A 2 10.062 4.181 -1.186 1.00 0.00 H
ATOM 22 HG3 GLN A 2 10.062 2.640 -0.296 1.00 0.00 H
ATOM 23 CD GLN A 2 10.301 2.447 -2.410 1.00 0.00 C
ATOM 24 OE1 GLN A 2 9.566 1.955 -3.263 1.00 0.00 O
ATOM 25 NE2 GLN A 2 11.633 2.402 -2.488 1.00 0.00 N
ATOM 26 HE21 GLN A 2 12.075 1.948 -3.275 1.00 0.00 H
ATOM 27 HE22 GLN A 2 12.193 2.822 -1.760 1.00 0.00 H
ATOM 28 C GLN A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 29 O GLN A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 30 N HIS A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 31 H HIS A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 32 CA HIS A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 33 HA HIS A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 34 CB HIS A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 35 HB2 HIS A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 36 HB3 HIS A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 37 CG HIS A 3 10.392 8.865 1.321 1.00 0.00 C
ATOM 38 ND1 HIS A 3 10.134 9.724 2.383 1.00 0.00 N
ATOM 39 CE1 HIS A 3 10.815 10.836 2.183 1.00 0.00 C
ATOM 40 HE1 HIS A 3 10.754 11.650 2.905 1.00 0.00 H
ATOM 41 NE2 HIS A 3 11.485 10.730 1.062 1.00 0.00 N
ATOM 42 HE2 HIS A 3 12.087 11.444 0.677 1.00 0.00 H
ATOM 43 CD2 HIS A 3 11.250 9.517 0.492 1.00 0.00 C
ATOM 44 HD2 HIS A 3 11.729 9.256 -0.451 1.00 0.00 H
ATOM 45 C HIS A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 46 O HIS A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 47 N PHE A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 48 H PHE A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 49 CA PHE A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 50 HA PHE A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 51 CB PHE A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 52 HB2 PHE A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 53 HB3 PHE A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 54 CG PHE A 4 15.887 6.914 -1.321 1.00 0.00 C
ATOM 55 CD1 PHE A 4 16.502 6.286 -2.410 1.00 0.00 C
ATOM 56 HD1 PHE A 4 15.894 5.833 -3.193 1.00 0.00 H
ATOM 57 CE1 PHE A 4 17.899 6.238 -2.492 1.00 0.00 C
ATOM 58 HE1 PHE A 4 18.379 5.749 -3.340 1.00 0.00 H
ATOM 59 CZ PHE A 4 18.680 6.819 -1.486 1.00 0.00 C
ATOM 60 HZ PHE A 4 19.768 6.782 -1.550 1.00 0.00 H
ATOM 61 CE2 PHE A 4 18.064 7.448 -0.397 1.00 0.00 C
ATOM 62 HE2 PHE A 4 18.672 7.900 0.386 1.00 0.00 H
ATOM 63 CD2 PHE A 4 16.667 7.495 -0.315 1.00 0.00 C
ATOM 64 HD2 PHE A 4 16.188 7.985 0.533 1.00 0.00 H
ATOM 65 C PHE A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 66 O PHE A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 67 OXT PHE A 4 15.662 9.067 0.041 1.00 0.00 O
TER 68 PHE A 4
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