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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-02
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.645 1.439 -0.989 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.501 1.309 0.844 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 LYS A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H LYS A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA LYS A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA LYS A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB LYS A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 LYS A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 LYS A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG LYS A 2 9.713 3.149 -1.195 1.00 0.00 C
ATOM 21 HG2 LYS A 2 10.062 4.181 -1.186 1.00 0.00 H
ATOM 22 HG3 LYS A 2 10.062 2.640 -0.296 1.00 0.00 H
ATOM 23 CD LYS A 2 10.262 2.438 -2.427 1.00 0.00 C
ATOM 24 HD2 LYS A 2 9.914 1.405 -2.436 1.00 0.00 H
ATOM 25 HD3 LYS A 2 9.914 2.946 -3.326 1.00 0.00 H
ATOM 26 CE LYS A 2 11.787 2.459 -2.389 1.00 0.00 C
ATOM 27 HE2 LYS A 2 12.136 3.492 -2.380 1.00 0.00 H
ATOM 28 HE3 LYS A 2 12.136 1.951 -1.491 1.00 0.00 H
ATOM 29 NZ LYS A 2 12.316 1.773 -3.577 1.00 0.00 N
ATOM 30 HZ1 LYS A 2 11.993 2.245 -4.410 1.00 0.00 H
ATOM 31 HZ2 LYS A 2 13.326 1.788 -3.552 1.00 0.00 H
ATOM 32 HZ3 LYS A 2 11.993 0.817 -3.585 1.00 0.00 H
ATOM 33 C LYS A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 34 O LYS A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 35 N PHE A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 36 H PHE A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 37 CA PHE A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 38 HA PHE A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 39 CB PHE A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 40 HB2 PHE A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 41 HB3 PHE A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 42 CG PHE A 3 10.392 8.865 1.321 1.00 0.00 C
ATOM 43 CD1 PHE A 3 10.103 9.696 2.410 1.00 0.00 C
ATOM 44 HD1 PHE A 3 9.427 9.352 3.193 1.00 0.00 H
ATOM 45 CE1 PHE A 3 10.681 10.968 2.492 1.00 0.00 C
ATOM 46 HE1 PHE A 3 10.456 11.615 3.340 1.00 0.00 H
ATOM 47 CZ PHE A 3 11.549 11.409 1.486 1.00 0.00 C
ATOM 48 HZ PHE A 3 11.999 12.400 1.550 1.00 0.00 H
ATOM 49 CE2 PHE A 3 11.838 10.578 0.397 1.00 0.00 C
ATOM 50 HE2 PHE A 3 12.513 10.921 -0.386 1.00 0.00 H
ATOM 51 CD2 PHE A 3 11.259 9.306 0.315 1.00 0.00 C
ATOM 52 HD2 PHE A 3 11.485 8.659 -0.533 1.00 0.00 H
ATOM 53 C PHE A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 54 O PHE A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 55 N ARG A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 56 H ARG A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 57 CA ARG A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 58 HA ARG A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 59 CB ARG A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 60 HB2 ARG A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 61 HB3 ARG A 4 14.032 7.474 -2.131 1.00 0.00 H
ATOM 62 CG ARG A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 63 HG2 ARG A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 64 HG3 ARG A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 65 CD ARG A 4 16.453 6.276 -2.427 1.00 0.00 C
ATOM 66 HD2 ARG A 4 16.105 5.243 -2.436 1.00 0.00 H
ATOM 67 HD3 ARG A 4 16.105 6.785 -3.326 1.00 0.00 H
ATOM 68 NE ARG A 4 17.933 6.277 -2.425 1.00 0.00 N
ATOM 69 HE ARG A 4 18.414 6.722 -1.655 1.00 0.00 H
ATOM 70 CZ ARG A 4 18.660 5.720 -3.389 1.00 0.00 C
ATOM 71 NH1 ARG A 4 18.100 5.117 -4.434 1.00 0.00 N
ATOM 72 HH11 ARG A 4 17.093 5.074 -4.509 1.00 0.00 H
ATOM 73 HH12 ARG A 4 18.683 4.705 -5.148 1.00 0.00 H
ATOM 74 NH2 ARG A 4 19.984 5.779 -3.287 1.00 0.00 N
ATOM 75 HH21 ARG A 4 20.406 6.238 -2.492 1.00 0.00 H
ATOM 76 HH22 ARG A 4 20.562 5.365 -4.004 1.00 0.00 H
ATOM 77 C ARG A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 78 O ARG A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 79 OXT ARG A 4 15.667 9.053 0.026 1.00 0.00 O
TER 80 ARG A 4
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