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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-13
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.645 1.447 -0.989 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.493 1.313 0.837 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 GLU A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H GLU A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA GLU A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA GLU A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB GLU A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 GLU A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 GLU A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG GLU A 2 9.698 3.149 -1.195 1.00 0.00 C
ATOM 21 HG2 GLU A 2 10.047 4.181 -1.186 1.00 0.00 H
ATOM 22 HG3 GLU A 2 10.047 2.640 -0.296 1.00 0.00 H
ATOM 23 CD GLU A 2 10.248 2.436 -2.429 1.00 0.00 C
ATOM 24 OE1 GLU A 2 10.455 3.138 -3.454 1.00 0.00 O
ATOM 25 OE2 GLU A 2 10.455 1.197 -2.334 1.00 0.00 O
ATOM 26 C GLU A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 27 O GLU A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 28 N GLN A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 29 H GLN A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 30 CA GLN A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 31 HA GLN A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 32 CB GLN A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 33 HB2 GLN A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 34 HB3 GLN A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 35 CG GLN A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 36 HG2 GLN A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 37 HG3 GLN A 3 10.165 9.387 0.296 1.00 0.00 H
ATOM 38 CD GLN A 3 10.098 9.687 2.410 1.00 0.00 C
ATOM 39 OE1 GLN A 3 9.330 9.247 3.263 1.00 0.00 O
ATOM 40 NE2 GLN A 3 10.650 10.900 2.488 1.00 0.00 N
ATOM 41 HE21 GLN A 3 10.439 11.498 3.275 1.00 0.00 H
ATOM 42 HE22 GLN A 3 11.275 11.215 1.760 1.00 0.00 H
ATOM 43 C GLN A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 44 O GLN A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 45 N ASN A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 46 H ASN A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 47 CA ASN A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 48 HA ASN A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 49 CB ASN A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 50 HB2 ASN A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 51 HB3 ASN A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 52 CG ASN A 4 15.902 6.966 -1.232 1.00 0.00 C
ATOM 53 OD1 ASN A 4 16.526 7.495 -0.315 1.00 0.00 O
ATOM 54 ND2 ASN A 4 16.500 6.369 -2.266 1.00 0.00 N
ATOM 55 HD21 ASN A 4 17.508 6.341 -2.315 1.00 0.00 H
ATOM 56 HD22 ASN A 4 15.941 5.948 -2.994 1.00 0.00 H
ATOM 57 C ASN A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 58 O ASN A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 59 OXT ASN A 4 15.664 9.066 0.051 1.00 0.00 O
TER 60 ASN A 4
END
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