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REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-21
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.498 1.311 0.841 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.638 1.447 -0.984 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 VAL A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H VAL A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA VAL A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA VAL A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB VAL A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB VAL A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 CG1 VAL A 2 7.701 3.839 -2.490 1.00 0.00 C
ATOM 20 HG11 VAL A 2 8.050 4.872 -2.481 1.00 0.00 H
ATOM 21 HG12 VAL A 2 8.093 3.331 -3.371 1.00 0.00 H
ATOM 22 HG13 VAL A 2 6.612 3.824 -2.517 1.00 0.00 H
ATOM 23 CG2 VAL A 2 9.713 3.149 -1.195 1.00 0.00 C
ATOM 24 HG21 VAL A 2 10.062 2.640 -0.296 1.00 0.00 H
ATOM 25 HG22 VAL A 2 10.106 2.641 -2.075 1.00 0.00 H
ATOM 26 HG23 VAL A 2 10.062 4.181 -1.186 1.00 0.00 H
ATOM 27 C VAL A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 28 O VAL A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 29 N GLU A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 30 H GLU A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 31 CA GLU A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 32 HA GLU A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 33 CB GLU A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 34 HB2 GLU A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 35 HB3 GLU A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 36 CG GLU A 3 10.458 8.835 1.195 1.00 0.00 C
ATOM 37 HG2 GLU A 3 11.538 8.688 1.186 1.00 0.00 H
ATOM 38 HG3 GLU A 3 10.158 9.374 0.296 1.00 0.00 H
ATOM 39 CD GLU A 3 10.065 9.644 2.429 1.00 0.00 C
ATOM 40 OE1 GLU A 3 10.786 9.518 3.454 1.00 0.00 O
ATOM 41 OE2 GLU A 3 9.047 10.381 2.334 1.00 0.00 O
ATOM 42 C GLU A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 43 O GLU A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 44 N LYS A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 45 H LYS A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 46 CA LYS A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 47 HA LYS A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 48 CB LYS A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 49 HB2 LYS A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 50 HB3 LYS A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 51 CG LYS A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 52 HG2 LYS A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 53 HG3 LYS A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 54 CD LYS A 4 16.453 6.276 -2.427 1.00 0.00 C
ATOM 55 HD2 LYS A 4 16.105 5.243 -2.436 1.00 0.00 H
ATOM 56 HD3 LYS A 4 16.105 6.785 -3.326 1.00 0.00 H
ATOM 57 CE LYS A 4 17.978 6.298 -2.389 1.00 0.00 C
ATOM 58 HE2 LYS A 4 18.327 7.330 -2.380 1.00 0.00 H
ATOM 59 HE3 LYS A 4 18.327 5.789 -1.491 1.00 0.00 H
ATOM 60 NZ LYS A 4 18.507 5.612 -3.577 1.00 0.00 N
ATOM 61 HZ1 LYS A 4 18.184 6.084 -4.410 1.00 0.00 H
ATOM 62 HZ2 LYS A 4 19.517 5.626 -3.552 1.00 0.00 H
ATOM 63 HZ3 LYS A 4 18.184 4.655 -3.585 1.00 0.00 H
ATOM 64 C LYS A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 65 O LYS A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 66 OXT LYS A 4 15.666 9.052 0.049 1.00 0.00 O
TER 67 LYS A 4
END
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