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REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-09
ATOM 1 N ASP A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ASP A 1 2.494 1.312 0.838 1.00 0.00 H
ATOM 3 H3 ASP A 1 2.644 1.446 -0.989 1.00 0.00 H
ATOM 4 H ASP A 1 3.909 0.724 0.000 1.00 0.00 H
ATOM 5 CA ASP A 1 3.970 2.846 0.000 1.00 0.00 C
ATOM 6 HA ASP A 1 3.672 3.400 -0.890 1.00 0.00 H
ATOM 7 CB ASP A 1 3.577 3.654 1.232 1.00 0.00 C
ATOM 8 HB2 ASP A 1 2.497 3.801 1.241 1.00 0.00 H
ATOM 9 HB3 ASP A 1 3.877 3.116 2.131 1.00 0.00 H
ATOM 10 CG ASP A 1 4.275 5.011 1.195 1.00 0.00 C
ATOM 11 OD1 ASP A 1 3.669 5.955 0.620 1.00 0.00 O
ATOM 12 OD2 ASP A 1 5.408 5.092 1.741 1.00 0.00 O
ATOM 13 C ASP A 1 5.486 2.705 0.000 1.00 0.00 C
ATOM 14 O ASP A 1 6.009 1.593 0.000 1.00 0.00 O
ATOM 15 N ASN A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 16 H ASN A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 17 CA ASN A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 18 HA ASN A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 19 CB ASN A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 20 HB2 ASN A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 21 HB3 ASN A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 22 CG ASN A 2 9.711 3.127 -1.232 1.00 0.00 C
ATOM 23 OD1 ASN A 2 10.335 3.657 -0.315 1.00 0.00 O
ATOM 24 ND2 ASN A 2 10.309 2.530 -2.266 1.00 0.00 N
ATOM 25 HD21 ASN A 2 11.317 2.502 -2.315 1.00 0.00 H
ATOM 26 HD22 ASN A 2 9.750 2.110 -2.994 1.00 0.00 H
ATOM 27 C ASN A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 28 O ASN A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 29 N PRO A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 30 CD PRO A 3 10.402 4.228 0.000 1.00 0.00 C
ATOM 31 HD2 PRO A 3 10.493 3.840 -1.014 1.00 0.00 H
ATOM 32 HD3 PRO A 3 9.990 3.455 0.649 1.00 0.00 H
ATOM 33 CG PRO A 3 11.694 4.785 0.522 1.00 0.00 C
ATOM 34 HG2 PRO A 3 12.522 4.324 -0.016 1.00 0.00 H
ATOM 35 HG3 PRO A 3 11.789 4.570 1.586 1.00 0.00 H
ATOM 36 CB PRO A 3 11.636 6.273 0.276 1.00 0.00 C
ATOM 37 HB2 PRO A 3 12.257 6.519 -0.586 1.00 0.00 H
ATOM 38 HB3 PRO A 3 12.011 6.797 1.155 1.00 0.00 H
ATOM 39 CA PRO A 3 10.162 6.686 0.000 1.00 0.00 C
ATOM 40 HA PRO A 3 9.895 7.263 0.886 1.00 0.00 H
ATOM 41 C PRO A 3 9.798 7.477 -1.248 1.00 0.00 C
ATOM 42 O PRO A 3 8.999 7.022 -2.064 1.00 0.00 O
ATOM 43 N GLN A 4 10.388 8.665 -1.396 1.00 0.00 N
ATOM 44 H GLN A 4 11.039 8.997 -0.698 1.00 0.00 H
ATOM 45 CA GLN A 4 10.125 9.514 -2.541 1.00 0.00 C
ATOM 46 HA GLN A 4 10.403 8.988 -3.455 1.00 0.00 H
ATOM 47 CB GLN A 4 8.648 9.884 -2.622 1.00 0.00 C
ATOM 48 HB2 GLN A 4 8.050 8.978 -2.716 1.00 0.00 H
ATOM 49 HB3 GLN A 4 8.357 10.419 -1.718 1.00 0.00 H
ATOM 50 CG GLN A 4 8.413 10.775 -3.838 1.00 0.00 C
ATOM 51 HG2 GLN A 4 9.011 11.682 -3.745 1.00 0.00 H
ATOM 52 HG3 GLN A 4 8.704 10.240 -4.742 1.00 0.00 H
ATOM 53 CD GLN A 4 6.947 11.168 -3.954 1.00 0.00 C
ATOM 54 OE1 GLN A 4 6.128 10.771 -3.129 1.00 0.00 O
ATOM 55 NE2 GLN A 4 6.619 11.951 -4.985 1.00 0.00 N
ATOM 56 HE21 GLN A 4 5.659 12.241 -5.108 1.00 0.00 H
ATOM 57 HE22 GLN A 4 7.331 12.249 -5.636 1.00 0.00 H
ATOM 58 C GLN A 4 10.925 10.806 -2.461 1.00 0.00 C
ATOM 59 O GLN A 4 11.674 11.018 -1.510 1.00 0.00 O
ATOM 60 OXT GLN A 4 10.711 11.498 -3.527 1.00 0.00 O
TER 61 GLN A 4
END
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