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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 2.492 1.302 0.834 1.00 0.00 H
ATOM 3 H3 GLU A 1 2.644 1.442 -0.988 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 ASN A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 19 H ASN A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 20 CA ASN A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 21 HA ASN A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 22 CB ASN A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 23 HB2 ASN A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 24 HB3 ASN A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 25 CG ASN A 2 9.711 3.127 -1.232 1.00 0.00 C
ATOM 26 OD1 ASN A 2 10.335 3.657 -0.315 1.00 0.00 O
ATOM 27 ND2 ASN A 2 10.309 2.530 -2.266 1.00 0.00 N
ATOM 28 HD21 ASN A 2 11.317 2.502 -2.315 1.00 0.00 H
ATOM 29 HD22 ASN A 2 9.750 2.110 -2.994 1.00 0.00 H
ATOM 30 C ASN A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 31 O ASN A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 32 N PRO A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 33 CD PRO A 3 10.402 4.228 0.000 1.00 0.00 C
ATOM 34 HD2 PRO A 3 10.493 3.840 -1.014 1.00 0.00 H
ATOM 35 HD3 PRO A 3 9.990 3.455 0.649 1.00 0.00 H
ATOM 36 CG PRO A 3 11.694 4.785 0.522 1.00 0.00 C
ATOM 37 HG2 PRO A 3 12.522 4.324 -0.016 1.00 0.00 H
ATOM 38 HG3 PRO A 3 11.789 4.570 1.586 1.00 0.00 H
ATOM 39 CB PRO A 3 11.636 6.273 0.276 1.00 0.00 C
ATOM 40 HB2 PRO A 3 12.257 6.519 -0.586 1.00 0.00 H
ATOM 41 HB3 PRO A 3 12.011 6.797 1.155 1.00 0.00 H
ATOM 42 CA PRO A 3 10.162 6.686 0.000 1.00 0.00 C
ATOM 43 HA PRO A 3 9.895 7.263 0.886 1.00 0.00 H
ATOM 44 C PRO A 3 9.798 7.477 -1.248 1.00 0.00 C
ATOM 45 O PRO A 3 8.999 7.022 -2.064 1.00 0.00 O
ATOM 46 N VAL A 4 10.388 8.665 -1.396 1.00 0.00 N
ATOM 47 H VAL A 4 11.039 8.997 -0.698 1.00 0.00 H
ATOM 48 CA VAL A 4 10.125 9.514 -2.541 1.00 0.00 C
ATOM 49 HA VAL A 4 10.403 8.988 -3.455 1.00 0.00 H
ATOM 50 CB VAL A 4 8.648 9.884 -2.622 1.00 0.00 C
ATOM 51 HB VAL A 4 8.050 8.978 -2.716 1.00 0.00 H
ATOM 52 CG1 VAL A 4 8.241 10.633 -1.357 1.00 0.00 C
ATOM 53 HG11 VAL A 4 8.839 11.540 -1.264 1.00 0.00 H
ATOM 54 HG12 VAL A 4 7.186 10.898 -1.415 1.00 0.00 H
ATOM 55 HG13 VAL A 4 8.409 9.996 -0.488 1.00 0.00 H
ATOM 56 CG2 VAL A 4 8.413 10.775 -3.838 1.00 0.00 C
ATOM 57 HG21 VAL A 4 8.704 10.240 -4.742 1.00 0.00 H
ATOM 58 HG22 VAL A 4 7.358 11.040 -3.896 1.00 0.00 H
ATOM 59 HG23 VAL A 4 9.011 11.682 -3.745 1.00 0.00 H
ATOM 60 C VAL A 4 10.925 10.806 -2.461 1.00 0.00 C
ATOM 61 O VAL A 4 11.674 11.018 -1.510 1.00 0.00 O
ATOM 62 OXT VAL A 4 10.708 11.500 -3.527 1.00 0.00 O
TER 63 VAL A 4
END
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