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REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-10
ATOM 1 N ASP A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ASP A 1 2.495 1.311 0.838 1.00 0.00 H
ATOM 3 H3 ASP A 1 2.639 1.453 -0.986 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 GLN A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 30 H GLN A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 31 CA GLN A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 32 HA GLN A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 33 CB GLN A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 34 HB2 GLN A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 35 HB3 GLN A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 36 CG GLN A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 37 HG2 GLN A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 38 HG3 GLN A 3 10.165 9.387 0.296 1.00 0.00 H
ATOM 39 CD GLN A 3 10.098 9.687 2.410 1.00 0.00 C
ATOM 40 OE1 GLN A 3 9.330 9.247 3.263 1.00 0.00 O
ATOM 41 NE2 GLN A 3 10.650 10.900 2.488 1.00 0.00 N
ATOM 42 HE21 GLN A 3 10.439 11.498 3.275 1.00 0.00 H
ATOM 43 HE22 GLN A 3 11.275 11.215 1.760 1.00 0.00 H
ATOM 44 C GLN A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 45 O GLN A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 46 N GLN A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 47 H GLN A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 48 CA GLN A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 49 HA GLN A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 50 CB GLN A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 51 HB2 GLN A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 52 HB3 GLN A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 53 CG GLN A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 54 HG2 GLN A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 55 HG3 GLN A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 56 CD GLN A 4 16.492 6.286 -2.410 1.00 0.00 C
ATOM 57 OE1 GLN A 4 15.757 5.793 -3.263 1.00 0.00 O
ATOM 58 NE2 GLN A 4 17.824 6.241 -2.488 1.00 0.00 N
ATOM 59 HE21 GLN A 4 18.266 5.786 -3.275 1.00 0.00 H
ATOM 60 HE22 GLN A 4 18.384 6.661 -1.760 1.00 0.00 H
ATOM 61 C GLN A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 62 O GLN A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 63 OXT GLN A 4 15.666 9.053 0.047 1.00 0.00 O
TER 64 GLN A 4
END
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