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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 2.494 1.305 0.836 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.645 1.453 -0.989 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 CYS A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H CYS A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA CYS A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA CYS A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB CYS A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 CYS A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 CYS A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 SG CYS A 2 9.992 3.050 -1.366 1.00 0.00 S
ATOM 21 HG CYS A 2 10.018 2.385 -2.518 1.00 0.00 H
ATOM 22 C CYS A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 23 O CYS A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 24 N GLY A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 25 H GLY A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 26 CA GLY A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 27 HA2 GLY A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 28 HA3 GLY A 3 9.863 7.239 0.890 1.00 0.00 H
ATOM 29 C GLY A 3 11.675 6.525 0.000 1.00 0.00 C
ATOM 30 O GLY A 3 12.184 5.407 0.000 1.00 0.00 O
ATOM 31 N TYR A 4 12.394 7.650 0.000 1.00 0.00 N
ATOM 32 H TYR A 4 11.929 8.547 0.000 1.00 0.00 H
ATOM 33 CA TYR A 4 13.843 7.632 0.000 1.00 0.00 C
ATOM 34 HA TYR A 4 14.200 7.114 0.890 1.00 0.00 H
ATOM 35 CB TYR A 4 14.383 6.914 -1.232 1.00 0.00 C
ATOM 36 HB2 TYR A 4 14.022 5.886 -1.241 1.00 0.00 H
ATOM 37 HB3 TYR A 4 14.041 7.427 -2.131 1.00 0.00 H
ATOM 38 CG TYR A 4 15.893 6.917 -1.195 1.00 0.00 C
ATOM 39 CD1 TYR A 4 16.620 6.312 -2.227 1.00 0.00 C
ATOM 40 HD1 TYR A 4 16.096 5.839 -3.058 1.00 0.00 H
ATOM 41 CE1 TYR A 4 18.019 6.315 -2.193 1.00 0.00 C
ATOM 42 HE1 TYR A 4 18.585 5.844 -2.997 1.00 0.00 H
ATOM 43 CZ TYR A 4 18.692 6.923 -1.126 1.00 0.00 C
ATOM 44 OH TYR A 4 20.051 6.926 -1.092 1.00 0.00 O
ATOM 45 HH TYR A 4 20.446 6.484 -1.848 1.00 0.00 H
ATOM 46 CE2 TYR A 4 17.965 7.528 -0.094 1.00 0.00 C
ATOM 47 HE2 TYR A 4 18.489 8.001 0.737 1.00 0.00 H
ATOM 48 CD2 TYR A 4 16.565 7.525 -0.128 1.00 0.00 C
ATOM 49 HD2 TYR A 4 15.999 7.996 0.676 1.00 0.00 H
ATOM 50 C TYR A 4 14.408 9.045 0.000 1.00 0.00 C
ATOM 51 O TYR A 4 13.657 10.018 0.000 1.00 0.00 O
ATOM 52 OXT TYR A 4 15.689 8.995 0.076 1.00 0.00 O
TER 53 TYR A 4
END
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