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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-14
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.639 1.452 -0.986 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.489 1.310 0.833 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 ILE A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 36 H ILE A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 37 CA ILE A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 38 HA ILE A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 39 CB ILE A 3 9.743 7.459 1.245 1.00 0.00 C
ATOM 40 HB ILE A 3 8.661 7.591 1.246 1.00 0.00 H
ATOM 41 CG2 ILE A 3 10.161 6.684 2.490 1.00 0.00 C
ATOM 42 HG21 ILE A 3 11.243 6.553 2.491 1.00 0.00 H
ATOM 43 HG22 ILE A 3 9.863 7.238 3.381 1.00 0.00 H
ATOM 44 HG23 ILE A 3 9.677 5.708 2.491 1.00 0.00 H
ATOM 45 CG1 ILE A 3 10.421 8.825 1.245 1.00 0.00 C
ATOM 46 HG12 ILE A 3 11.503 8.694 1.245 1.00 0.00 H
ATOM 47 HG13 ILE A 3 10.123 9.380 0.355 1.00 0.00 H
ATOM 48 CD1 ILE A 3 10.003 9.600 2.490 1.00 0.00 C
ATOM 49 HD11 ILE A 3 10.302 9.047 3.381 1.00 0.00 H
ATOM 50 HD12 ILE A 3 10.488 10.577 2.491 1.00 0.00 H
ATOM 51 HD13 ILE A 3 8.921 9.732 2.491 1.00 0.00 H
ATOM 52 C ILE A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 53 O ILE A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 54 N ILE A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 55 H ILE A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 56 CA ILE A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 57 HA ILE A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 58 CB ILE A 4 14.339 6.958 -1.245 1.00 0.00 C
ATOM 59 HB ILE A 4 13.976 5.931 -1.246 1.00 0.00 H
ATOM 60 CG2 ILE A 4 13.831 7.677 -2.490 1.00 0.00 C
ATOM 61 HG21 ILE A 4 14.194 8.705 -2.491 1.00 0.00 H
ATOM 62 HG22 ILE A 4 14.194 7.164 -3.381 1.00 0.00 H
ATOM 63 HG23 ILE A 4 12.741 7.677 -2.491 1.00 0.00 H
ATOM 64 CG1 ILE A 4 15.864 6.958 -1.245 1.00 0.00 C
ATOM 65 HG12 ILE A 4 16.228 7.986 -1.245 1.00 0.00 H
ATOM 66 HG13 ILE A 4 16.228 6.445 -0.355 1.00 0.00 H
ATOM 67 CD1 ILE A 4 16.373 6.239 -2.490 1.00 0.00 C
ATOM 68 HD11 ILE A 4 16.010 6.753 -3.381 1.00 0.00 H
ATOM 69 HD12 ILE A 4 17.463 6.239 -2.491 1.00 0.00 H
ATOM 70 HD13 ILE A 4 16.010 5.212 -2.491 1.00 0.00 H
ATOM 71 C ILE A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 72 O ILE A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 73 OXT ILE A 4 15.667 9.053 0.061 1.00 0.00 O
TER 74 ILE A 4
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