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REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-15
ATOM 1 N GLU A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 GLU A 1 2.648 1.442 -0.992 1.00 0.00 H
ATOM 3 H3 GLU A 1 2.490 1.303 0.832 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 SER A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 19 H SER A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 20 CA SER A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 21 HA SER A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 22 CB SER A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 23 HB2 SER A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 24 HB3 SER A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 25 OG SER A 2 9.618 3.148 -1.197 1.00 0.00 O
ATOM 26 HG SER A 2 9.964 2.700 -1.973 1.00 0.00 H
ATOM 27 C SER A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 28 O SER A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 29 N TRP A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 30 H TRP A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 31 CA TRP A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 32 HA TRP A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 33 CB TRP A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 34 HB2 TRP A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 35 HB3 TRP A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 36 CG TRP A 3 10.392 8.865 1.321 1.00 0.00 C
ATOM 37 CD1 TRP A 3 10.214 9.770 2.293 1.00 0.00 C
ATOM 38 HD1 TRP A 3 9.560 9.544 3.135 1.00 0.00 H
ATOM 39 NE1 TRP A 3 11.003 10.912 1.950 1.00 0.00 N
ATOM 40 HE1 TRP A 3 11.074 11.761 2.493 1.00 0.00 H
ATOM 41 CE2 TRP A 3 11.618 10.681 0.817 1.00 0.00 C
ATOM 42 CZ2 TRP A 3 12.488 11.528 0.120 1.00 0.00 C
ATOM 43 HZ2 TRP A 3 12.722 12.515 0.517 1.00 0.00 H
ATOM 44 CH2 TRP A 3 13.005 11.026 -1.069 1.00 0.00 C
ATOM 45 HH2 TRP A 3 13.689 11.630 -1.664 1.00 0.00 H
ATOM 46 CZ3 TRP A 3 12.674 9.792 -1.505 1.00 0.00 C
ATOM 47 HZ3 TRP A 3 13.089 9.414 -2.440 1.00 0.00 H
ATOM 48 CE3 TRP A 3 11.795 8.956 -0.786 1.00 0.00 C
ATOM 49 HE3 TRP A 3 11.550 7.965 -1.168 1.00 0.00 H
ATOM 50 CD2 TRP A 3 11.274 9.462 0.412 1.00 0.00 C
ATOM 51 C TRP A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 52 O TRP A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 53 N ASP A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 54 H ASP A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 55 CA ASP A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 56 HA ASP A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 57 CB ASP A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 58 HB2 ASP A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 59 HB3 ASP A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 60 CG ASP A 4 15.906 6.988 -1.195 1.00 0.00 C
ATOM 61 OD1 ASP A 4 16.482 6.025 -0.620 1.00 0.00 O
ATOM 62 OD2 ASP A 4 16.482 7.966 -1.741 1.00 0.00 O
ATOM 63 C ASP A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 64 O ASP A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 65 OXT ASP A 4 15.665 9.056 0.097 1.00 0.00 O
TER 66 ASP A 4
END
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