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REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-11
ATOM 1 N GLU A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 GLU A 1 2.648 1.438 -0.991 1.00 0.00 H
ATOM 3 H3 GLU A 1 2.489 1.299 0.830 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 PRO A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 19 CD PRO A 2 5.547 5.147 0.000 1.00 0.00 C
ATOM 20 HD2 PRO A 2 5.240 5.401 1.014 1.00 0.00 H
ATOM 21 HD3 PRO A 2 4.672 5.121 -0.649 1.00 0.00 H
ATOM 22 CG PRO A 2 6.620 6.056 -0.522 1.00 0.00 C
ATOM 23 HG2 PRO A 2 6.576 7.003 0.016 1.00 0.00 H
ATOM 24 HG3 PRO A 2 6.470 6.237 -1.586 1.00 0.00 H
ATOM 25 CB PRO A 2 7.927 5.342 -0.276 1.00 0.00 C
ATOM 26 HB2 PRO A 2 8.424 5.789 0.586 1.00 0.00 H
ATOM 27 HB3 PRO A 2 8.564 5.445 -1.155 1.00 0.00 H
ATOM 28 CA PRO A 2 7.642 3.839 0.000 1.00 0.00 C
ATOM 29 HA PRO A 2 8.040 3.343 -0.886 1.00 0.00 H
ATOM 30 C PRO A 2 8.189 3.161 1.248 1.00 0.00 C
ATOM 31 O PRO A 2 7.426 2.647 2.064 1.00 0.00 O
ATOM 32 N GLY A 3 9.515 3.161 1.396 1.00 0.00 N
ATOM 33 H GLY A 3 10.101 3.596 0.698 1.00 0.00 H
ATOM 34 CA GLY A 3 10.158 2.548 2.541 1.00 0.00 C
ATOM 35 HA2 GLY A 3 9.811 3.031 3.455 1.00 0.00 H
ATOM 36 HA3 GLY A 3 9.909 1.488 2.574 1.00 0.00 H
ATOM 37 C GLY A 3 11.670 2.699 2.445 1.00 0.00 C
ATOM 38 O GLY A 3 12.179 3.278 1.488 1.00 0.00 O
ATOM 39 N VAL A 4 12.387 2.176 3.442 1.00 0.00 N
ATOM 40 H VAL A 4 11.923 1.710 4.208 1.00 0.00 H
ATOM 41 CA VAL A 4 13.834 2.254 3.466 1.00 0.00 C
ATOM 42 HA VAL A 4 14.240 1.756 2.586 1.00 0.00 H
ATOM 43 CB VAL A 4 14.306 3.704 3.468 1.00 0.00 C
ATOM 44 HB VAL A 4 13.945 4.205 2.569 1.00 0.00 H
ATOM 45 CG1 VAL A 4 13.758 4.416 4.700 1.00 0.00 C
ATOM 46 HG11 VAL A 4 14.118 3.916 5.599 1.00 0.00 H
ATOM 47 HG12 VAL A 4 14.095 5.453 4.701 1.00 0.00 H
ATOM 48 HG13 VAL A 4 12.668 4.389 4.682 1.00 0.00 H
ATOM 49 CG2 VAL A 4 15.830 3.743 3.494 1.00 0.00 C
ATOM 50 HG21 VAL A 4 16.222 3.234 2.613 1.00 0.00 H
ATOM 51 HG22 VAL A 4 16.168 4.779 3.495 1.00 0.00 H
ATOM 52 HG23 VAL A 4 16.191 3.243 4.393 1.00 0.00 H
ATOM 53 C VAL A 4 14.398 1.581 4.709 1.00 0.00 C
ATOM 54 O VAL A 4 13.647 1.063 5.533 1.00 0.00 O
ATOM 55 OXT VAL A 4 15.686 1.619 4.657 1.00 0.00 O
TER 56 VAL A 4
END
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