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REMARK 1 CREATED WITH OPENMM 7.7, 2022-11-04
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 -0.991 1.00 0.00 H
ATOM 3 H3 GLU A 1 2.490 1.307 0.833 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 TRP A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 19 H TRP A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 20 CA TRP A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 21 HA TRP A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 22 CB TRP A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 23 HB2 TRP A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 24 HB3 TRP A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 25 CG TRP A 2 9.696 3.076 -1.321 1.00 0.00 C
ATOM 26 CD1 TRP A 2 10.427 2.515 -2.293 1.00 0.00 C
ATOM 27 HD1 TRP A 2 9.934 2.029 -3.135 1.00 0.00 H
ATOM 28 NE1 TRP A 2 11.801 2.713 -1.950 1.00 0.00 N
ATOM 29 HE1 TRP A 2 12.593 2.399 -2.493 1.00 0.00 H
ATOM 30 CE2 TRP A 2 11.867 3.367 -0.817 1.00 0.00 C
ATOM 31 CZ2 TRP A 2 13.013 3.770 -0.120 1.00 0.00 C
ATOM 32 HZ2 TRP A 2 14.002 3.540 -0.517 1.00 0.00 H
ATOM 33 CH2 TRP A 2 12.793 4.456 1.069 1.00 0.00 C
ATOM 34 HH2 TRP A 2 13.639 4.799 1.664 1.00 0.00 H
ATOM 35 CZ3 TRP A 2 11.540 4.708 1.505 1.00 0.00 C
ATOM 36 HZ3 TRP A 2 11.387 5.247 2.440 1.00 0.00 H
ATOM 37 CE3 TRP A 2 10.401 4.292 0.786 1.00 0.00 C
ATOM 38 HE3 TRP A 2 9.405 4.513 1.168 1.00 0.00 H
ATOM 39 CD2 TRP A 2 10.623 3.601 -0.412 1.00 0.00 C
ATOM 40 C TRP A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 41 O TRP A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 42 OXT TRP A 2 9.436 5.330 0.027 1.00 0.00 O
TER 43 TRP A 2
END
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