File size: 5,343 Bytes
4030900 |
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 |
REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-08
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.493 1.311 0.836 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.644 1.444 -0.988 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 ASN A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H ASN A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA ASN A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA ASN A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB ASN A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 ASN A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 ASN A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG ASN A 2 9.711 3.127 -1.232 1.00 0.00 C
ATOM 21 OD1 ASN A 2 10.335 3.657 -0.315 1.00 0.00 O
ATOM 22 ND2 ASN A 2 10.309 2.530 -2.266 1.00 0.00 N
ATOM 23 HD21 ASN A 2 11.317 2.502 -2.315 1.00 0.00 H
ATOM 24 HD22 ASN A 2 9.750 2.110 -2.994 1.00 0.00 H
ATOM 25 C ASN A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 26 O ASN A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 27 N ARG A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 28 H ARG A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 29 CA ARG A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 30 HA ARG A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 31 CB ARG A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 32 HB2 ARG A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 33 HB3 ARG A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 34 CG ARG A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 35 HG2 ARG A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 36 HG3 ARG A 3 10.165 9.387 0.296 1.00 0.00 H
ATOM 37 CD ARG A 3 10.072 9.656 2.427 1.00 0.00 C
ATOM 38 HD2 ARG A 3 8.992 9.803 2.436 1.00 0.00 H
ATOM 39 HD3 ARG A 3 10.373 9.118 3.326 1.00 0.00 H
ATOM 40 NE ARG A 3 10.731 10.981 2.424 1.00 0.00 N
ATOM 41 HE ARG A 3 11.343 11.214 1.655 1.00 0.00 H
ATOM 42 CZ ARG A 3 10.555 11.880 3.389 1.00 0.00 C
ATOM 43 NH1 ARG A 3 9.766 11.646 4.434 1.00 0.00 N
ATOM 44 HH11 ARG A 3 9.280 10.764 4.509 1.00 0.00 H
ATOM 45 HH12 ARG A 3 9.656 12.352 5.148 1.00 0.00 H
ATOM 46 NH2 ARG A 3 11.197 13.040 3.287 1.00 0.00 N
ATOM 47 HH21 ARG A 3 11.796 13.214 2.492 1.00 0.00 H
ATOM 48 HH22 ARG A 3 11.083 13.742 4.004 1.00 0.00 H
ATOM 49 C ARG A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 50 O ARG A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 51 N ASN A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 52 H ASN A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 53 CA ASN A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 54 HA ASN A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 55 CB ASN A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 56 HB2 ASN A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 57 HB3 ASN A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 58 CG ASN A 4 15.902 6.966 -1.232 1.00 0.00 C
ATOM 59 OD1 ASN A 4 16.526 7.495 -0.315 1.00 0.00 O
ATOM 60 ND2 ASN A 4 16.500 6.369 -2.266 1.00 0.00 N
ATOM 61 HD21 ASN A 4 17.508 6.341 -2.315 1.00 0.00 H
ATOM 62 HD22 ASN A 4 15.941 5.948 -2.994 1.00 0.00 H
ATOM 63 C ASN A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 64 O ASN A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 65 OXT ASN A 4 15.665 9.065 0.046 1.00 0.00 O
TER 66 ASN A 4
END
|