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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 2.495 1.313 0.838 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.649 1.448 -0.991 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 GLY A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H GLY A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA GLY A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA2 GLY A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 HA3 GLY A 2 8.004 3.325 -0.890 1.00 0.00 H
ATOM 18 C GLY A 2 8.171 5.265 0.000 1.00 0.00 C
ATOM 19 O GLY A 2 7.395 6.219 0.000 1.00 0.00 O
ATOM 20 N VAL A 3 9.498 5.409 0.000 1.00 0.00 N
ATOM 21 H VAL A 3 10.094 4.594 0.000 1.00 0.00 H
ATOM 22 CA VAL A 3 10.126 6.715 0.000 1.00 0.00 C
ATOM 23 HA VAL A 3 9.821 7.266 -0.890 1.00 0.00 H
ATOM 24 CB VAL A 3 9.723 7.518 1.232 1.00 0.00 C
ATOM 25 HB VAL A 3 8.641 7.652 1.241 1.00 0.00 H
ATOM 26 CG1 VAL A 3 10.153 6.770 2.490 1.00 0.00 C
ATOM 27 HG11 VAL A 3 11.235 6.636 2.481 1.00 0.00 H
ATOM 28 HG12 VAL A 3 9.865 7.344 3.371 1.00 0.00 H
ATOM 29 HG13 VAL A 3 9.667 5.795 2.517 1.00 0.00 H
ATOM 30 CG2 VAL A 3 10.404 8.882 1.195 1.00 0.00 C
ATOM 31 HG21 VAL A 3 10.097 9.417 0.296 1.00 0.00 H
ATOM 32 HG22 VAL A 3 10.116 9.457 2.075 1.00 0.00 H
ATOM 33 HG23 VAL A 3 11.486 8.749 1.186 1.00 0.00 H
ATOM 34 C VAL A 3 11.643 6.593 0.000 1.00 0.00 C
ATOM 35 O VAL A 3 12.180 5.487 0.000 1.00 0.00 O
ATOM 36 N LYS A 4 12.335 7.735 0.000 1.00 0.00 N
ATOM 37 H LYS A 4 11.848 8.620 0.000 1.00 0.00 H
ATOM 38 CA LYS A 4 13.784 7.753 0.000 1.00 0.00 C
ATOM 39 HA LYS A 4 14.154 7.243 0.890 1.00 0.00 H
ATOM 40 CB LYS A 4 14.341 7.048 -1.232 1.00 0.00 C
ATOM 41 HB2 LYS A 4 14.006 6.011 -1.241 1.00 0.00 H
ATOM 42 HB3 LYS A 4 13.987 7.552 -2.131 1.00 0.00 H
ATOM 43 CG LYS A 4 15.865 7.088 -1.195 1.00 0.00 C
ATOM 44 HG2 LYS A 4 16.202 8.125 -1.186 1.00 0.00 H
ATOM 45 HG3 LYS A 4 16.221 6.584 -0.296 1.00 0.00 H
ATOM 46 CD LYS A 4 16.423 6.384 -2.427 1.00 0.00 C
ATOM 47 HD2 LYS A 4 16.087 5.347 -2.436 1.00 0.00 H
ATOM 48 HD3 LYS A 4 16.068 6.888 -3.326 1.00 0.00 H
ATOM 49 CE LYS A 4 17.947 6.424 -2.389 1.00 0.00 C
ATOM 50 HE2 LYS A 4 18.283 7.461 -2.380 1.00 0.00 H
ATOM 51 HE3 LYS A 4 18.302 5.920 -1.491 1.00 0.00 H
ATOM 52 NZ LYS A 4 18.484 5.745 -3.577 1.00 0.00 N
ATOM 53 HZ1 LYS A 4 18.156 6.212 -4.410 1.00 0.00 H
ATOM 54 HZ2 LYS A 4 19.494 5.771 -3.552 1.00 0.00 H
ATOM 55 HZ3 LYS A 4 18.173 4.784 -3.585 1.00 0.00 H
ATOM 56 C LYS A 4 14.314 9.179 0.000 1.00 0.00 C
ATOM 57 O LYS A 4 13.539 10.133 0.000 1.00 0.00 O
ATOM 58 OXT LYS A 4 15.601 9.149 0.058 1.00 0.00 O
TER 59 LYS A 4
END
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