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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 2.494 1.316 0.839 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.643 1.444 -0.987 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 LYS A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H LYS A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA LYS A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA LYS A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB LYS A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 LYS A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 LYS A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG LYS A 2 9.713 3.149 -1.195 1.00 0.00 C
ATOM 21 HG2 LYS A 2 10.062 4.181 -1.186 1.00 0.00 H
ATOM 22 HG3 LYS A 2 10.062 2.640 -0.296 1.00 0.00 H
ATOM 23 CD LYS A 2 10.262 2.438 -2.427 1.00 0.00 C
ATOM 24 HD2 LYS A 2 9.914 1.405 -2.436 1.00 0.00 H
ATOM 25 HD3 LYS A 2 9.914 2.946 -3.326 1.00 0.00 H
ATOM 26 CE LYS A 2 11.787 2.459 -2.389 1.00 0.00 C
ATOM 27 HE2 LYS A 2 12.136 3.492 -2.380 1.00 0.00 H
ATOM 28 HE3 LYS A 2 12.136 1.951 -1.491 1.00 0.00 H
ATOM 29 NZ LYS A 2 12.316 1.773 -3.577 1.00 0.00 N
ATOM 30 HZ1 LYS A 2 11.993 2.245 -4.410 1.00 0.00 H
ATOM 31 HZ2 LYS A 2 13.326 1.788 -3.552 1.00 0.00 H
ATOM 32 HZ3 LYS A 2 11.993 0.817 -3.585 1.00 0.00 H
ATOM 33 C LYS A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 34 O LYS A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 35 N GLY A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 36 H GLY A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 37 CA GLY A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 38 HA2 GLY A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 39 HA3 GLY A 3 9.863 7.239 0.890 1.00 0.00 H
ATOM 40 C GLY A 3 11.675 6.525 0.000 1.00 0.00 C
ATOM 41 O GLY A 3 12.184 5.407 0.000 1.00 0.00 O
ATOM 42 N ILE A 4 12.394 7.650 0.000 1.00 0.00 N
ATOM 43 H ILE A 4 11.929 8.547 0.000 1.00 0.00 H
ATOM 44 CA ILE A 4 13.843 7.632 0.000 1.00 0.00 C
ATOM 45 HA ILE A 4 14.200 7.114 0.890 1.00 0.00 H
ATOM 46 CB ILE A 4 14.342 6.907 -1.245 1.00 0.00 C
ATOM 47 HB ILE A 4 13.967 5.884 -1.246 1.00 0.00 H
ATOM 48 CG2 ILE A 4 13.843 7.632 -2.490 1.00 0.00 C
ATOM 49 HG21 ILE A 4 14.218 8.656 -2.491 1.00 0.00 H
ATOM 50 HG22 ILE A 4 14.200 7.114 -3.381 1.00 0.00 H
ATOM 51 HG23 ILE A 4 12.753 7.646 -2.491 1.00 0.00 H
ATOM 52 CG1 ILE A 4 15.867 6.889 -1.245 1.00 0.00 C
ATOM 53 HG12 ILE A 4 16.244 7.912 -1.245 1.00 0.00 H
ATOM 54 HG13 ILE A 4 16.225 6.370 -0.355 1.00 0.00 H
ATOM 55 CD1 ILE A 4 16.367 6.164 -2.490 1.00 0.00 C
ATOM 56 HD11 ILE A 4 16.010 6.681 -3.381 1.00 0.00 H
ATOM 57 HD12 ILE A 4 17.457 6.150 -2.491 1.00 0.00 H
ATOM 58 HD13 ILE A 4 15.991 5.140 -2.491 1.00 0.00 H
ATOM 59 C ILE A 4 14.408 9.045 0.000 1.00 0.00 C
ATOM 60 O ILE A 4 13.657 10.018 0.000 1.00 0.00 O
ATOM 61 OXT ILE A 4 15.694 8.982 0.071 1.00 0.00 O
TER 62 ILE A 4
END
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