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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 2.637 1.447 -0.984 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.497 1.310 0.840 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 ILE A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H ILE A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA ILE A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA ILE A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB ILE A 2 8.148 3.120 -1.245 1.00 0.00 C
ATOM 18 HB ILE A 2 7.785 2.092 -1.246 1.00 0.00 H
ATOM 19 CG2 ILE A 2 7.640 3.839 -2.490 1.00 0.00 C
ATOM 20 HG21 ILE A 2 8.003 4.866 -2.491 1.00 0.00 H
ATOM 21 HG22 ILE A 2 8.003 3.325 -3.381 1.00 0.00 H
ATOM 22 HG23 ILE A 2 6.550 3.839 -2.491 1.00 0.00 H
ATOM 23 CG1 ILE A 2 9.673 3.120 -1.245 1.00 0.00 C
ATOM 24 HG12 ILE A 2 10.037 4.147 -1.245 1.00 0.00 H
ATOM 25 HG13 ILE A 2 10.037 2.606 -0.355 1.00 0.00 H
ATOM 26 CD1 ILE A 2 10.182 2.401 -2.490 1.00 0.00 C
ATOM 27 HD11 ILE A 2 9.819 2.914 -3.381 1.00 0.00 H
ATOM 28 HD12 ILE A 2 11.272 2.401 -2.491 1.00 0.00 H
ATOM 29 HD13 ILE A 2 9.819 1.373 -2.491 1.00 0.00 H
ATOM 30 C ILE A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 31 O ILE A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 32 N ALA A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 33 H ALA A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 34 CA ALA A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 35 HA ALA A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 36 CB ALA A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 37 HB1 ALA A 3 10.068 6.954 2.131 1.00 0.00 H
ATOM 38 HB2 ALA A 3 10.266 8.462 1.206 1.00 0.00 H
ATOM 39 HB3 ALA A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 40 C ALA A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 41 O ALA A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 42 N VAL A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 43 H VAL A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 44 CA VAL A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 45 HA VAL A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 46 CB VAL A 4 14.380 6.966 -1.232 1.00 0.00 C
ATOM 47 HB VAL A 4 14.032 5.933 -1.241 1.00 0.00 H
ATOM 48 CG1 VAL A 4 13.892 7.678 -2.490 1.00 0.00 C
ATOM 49 HG11 VAL A 4 14.241 8.710 -2.481 1.00 0.00 H
ATOM 50 HG12 VAL A 4 14.284 7.170 -3.371 1.00 0.00 H
ATOM 51 HG13 VAL A 4 12.803 7.662 -2.517 1.00 0.00 H
ATOM 52 CG2 VAL A 4 15.904 6.987 -1.195 1.00 0.00 C
ATOM 53 HG21 VAL A 4 16.253 6.479 -0.296 1.00 0.00 H
ATOM 54 HG22 VAL A 4 16.297 6.479 -2.075 1.00 0.00 H
ATOM 55 HG23 VAL A 4 16.253 8.020 -1.186 1.00 0.00 H
ATOM 56 C VAL A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 57 O VAL A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 58 OXT VAL A 4 15.666 9.048 0.063 1.00 0.00 O
TER 59 VAL A 4
END
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