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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 2.504 1.310 0.847 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.632 1.450 -0.980 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 ALA A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H ALA A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA ALA A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA ALA A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB ALA A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB1 ALA A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 19 HB2 ALA A 2 9.279 3.142 -1.206 1.00 0.00 H
ATOM 20 HB3 ALA A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 21 C ALA A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 22 O ALA A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 23 N GLU A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 24 H GLU A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 25 CA GLU A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 26 HA GLU A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 27 CB GLU A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 28 HB2 GLU A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 29 HB3 GLU A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 30 CG GLU A 3 10.458 8.835 1.195 1.00 0.00 C
ATOM 31 HG2 GLU A 3 11.538 8.688 1.186 1.00 0.00 H
ATOM 32 HG3 GLU A 3 10.158 9.374 0.296 1.00 0.00 H
ATOM 33 CD GLU A 3 10.065 9.644 2.429 1.00 0.00 C
ATOM 34 OE1 GLU A 3 10.786 9.518 3.454 1.00 0.00 O
ATOM 35 OE2 GLU A 3 9.047 10.381 2.334 1.00 0.00 O
ATOM 36 C GLU A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 37 O GLU A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 38 N TRP A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 39 H TRP A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 40 CA TRP A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 41 HA TRP A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 42 CB TRP A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 43 HB2 TRP A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 44 HB3 TRP A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 45 CG TRP A 4 15.887 6.914 -1.321 1.00 0.00 C
ATOM 46 CD1 TRP A 4 16.618 6.353 -2.293 1.00 0.00 C
ATOM 47 HD1 TRP A 4 16.125 5.867 -3.135 1.00 0.00 H
ATOM 48 NE1 TRP A 4 17.992 6.551 -1.950 1.00 0.00 N
ATOM 49 HE1 TRP A 4 18.784 6.238 -2.493 1.00 0.00 H
ATOM 50 CE2 TRP A 4 18.058 7.206 -0.817 1.00 0.00 C
ATOM 51 CZ2 TRP A 4 19.204 7.608 -0.120 1.00 0.00 C
ATOM 52 HZ2 TRP A 4 20.193 7.379 -0.517 1.00 0.00 H
ATOM 53 CH2 TRP A 4 18.984 8.294 1.069 1.00 0.00 C
ATOM 54 HH2 TRP A 4 19.830 8.638 1.664 1.00 0.00 H
ATOM 55 CZ3 TRP A 4 17.731 8.546 1.505 1.00 0.00 C
ATOM 56 HZ3 TRP A 4 17.578 9.086 2.440 1.00 0.00 H
ATOM 57 CE3 TRP A 4 16.592 8.131 0.786 1.00 0.00 C
ATOM 58 HE3 TRP A 4 15.596 8.352 1.168 1.00 0.00 H
ATOM 59 CD2 TRP A 4 16.814 7.440 -0.412 1.00 0.00 C
ATOM 60 C TRP A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 61 O TRP A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 62 OXT TRP A 4 15.656 9.066 0.025 1.00 0.00 O
TER 63 TRP A 4
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