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REMARK 1 CREATED WITH OPENMM 7.7, 2023-01-18
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.496 1.320 0.842 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.642 1.447 -0.987 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 TRP A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H TRP A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA TRP A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA TRP A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB TRP A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 TRP A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 TRP A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG TRP A 2 9.696 3.076 -1.321 1.00 0.00 C
ATOM 21 CD1 TRP A 2 10.427 2.515 -2.293 1.00 0.00 C
ATOM 22 HD1 TRP A 2 9.934 2.029 -3.135 1.00 0.00 H
ATOM 23 NE1 TRP A 2 11.801 2.713 -1.950 1.00 0.00 N
ATOM 24 HE1 TRP A 2 12.593 2.399 -2.493 1.00 0.00 H
ATOM 25 CE2 TRP A 2 11.867 3.367 -0.817 1.00 0.00 C
ATOM 26 CZ2 TRP A 2 13.013 3.770 -0.120 1.00 0.00 C
ATOM 27 HZ2 TRP A 2 14.002 3.540 -0.517 1.00 0.00 H
ATOM 28 CH2 TRP A 2 12.793 4.456 1.069 1.00 0.00 C
ATOM 29 HH2 TRP A 2 13.639 4.799 1.664 1.00 0.00 H
ATOM 30 CZ3 TRP A 2 11.540 4.708 1.505 1.00 0.00 C
ATOM 31 HZ3 TRP A 2 11.387 5.247 2.440 1.00 0.00 H
ATOM 32 CE3 TRP A 2 10.401 4.292 0.786 1.00 0.00 C
ATOM 33 HE3 TRP A 2 9.405 4.513 1.168 1.00 0.00 H
ATOM 34 CD2 TRP A 2 10.623 3.601 -0.412 1.00 0.00 C
ATOM 35 C TRP A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 36 O TRP A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 37 N LYS A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 38 H LYS A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 39 CA LYS A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 40 HA LYS A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 41 CB LYS A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 42 HB2 LYS A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 43 HB3 LYS A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 44 CG LYS A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 45 HG2 LYS A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 46 HG3 LYS A 3 10.165 9.387 0.296 1.00 0.00 H
ATOM 47 CD LYS A 3 10.072 9.656 2.427 1.00 0.00 C
ATOM 48 HD2 LYS A 3 8.992 9.803 2.436 1.00 0.00 H
ATOM 49 HD3 LYS A 3 10.373 9.118 3.326 1.00 0.00 H
ATOM 50 CE LYS A 3 10.769 11.012 2.389 1.00 0.00 C
ATOM 51 HE2 LYS A 3 11.849 10.866 2.380 1.00 0.00 H
ATOM 52 HE3 LYS A 3 10.469 11.551 1.491 1.00 0.00 H
ATOM 53 NZ LYS A 3 10.390 11.791 3.577 1.00 0.00 N
ATOM 54 HZ1 LYS A 3 10.669 11.292 4.410 1.00 0.00 H
ATOM 55 HZ2 LYS A 3 10.852 12.689 3.552 1.00 0.00 H
ATOM 56 HZ3 LYS A 3 9.390 11.927 3.585 1.00 0.00 H
ATOM 57 C LYS A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 58 O LYS A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 59 N CYS A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 60 H CYS A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 61 CA CYS A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 62 HA CYS A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 63 CB CYS A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 64 HB2 CYS A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 65 HB3 CYS A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 66 SG CYS A 4 16.183 6.888 -1.366 1.00 0.00 S
ATOM 67 HG CYS A 4 16.209 6.224 -2.518 1.00 0.00 H
ATOM 68 C CYS A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 69 O CYS A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 70 OXT CYS A 4 15.666 9.047 0.027 1.00 0.00 O
TER 71 CYS A 4
END
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