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REMARK 1 CREATED WITH OPENMM 7.7, 2022-09-01
ATOM 1 N ALA A 1 3.326 1.548 0.000 1.00 0.00 N
ATOM 2 H2 ALA A 1 2.477 1.310 0.820 1.00 0.00 H
ATOM 3 H3 ALA A 1 2.661 1.447 -1.000 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 GLU A 2 6.191 3.839 0.000 1.00 0.00 N
ATOM 14 H GLU A 2 5.715 4.730 0.000 1.00 0.00 H
ATOM 15 CA GLU A 2 7.640 3.839 0.000 1.00 0.00 C
ATOM 16 HA GLU A 2 8.004 3.325 0.890 1.00 0.00 H
ATOM 17 CB GLU A 2 8.189 3.127 -1.232 1.00 0.00 C
ATOM 18 HB2 GLU A 2 7.841 2.094 -1.241 1.00 0.00 H
ATOM 19 HB3 GLU A 2 7.841 3.636 -2.131 1.00 0.00 H
ATOM 20 CG GLU A 2 9.698 3.149 -1.195 1.00 0.00 C
ATOM 21 HG2 GLU A 2 10.047 4.181 -1.186 1.00 0.00 H
ATOM 22 HG3 GLU A 2 10.047 2.640 -0.296 1.00 0.00 H
ATOM 23 CD GLU A 2 10.248 2.436 -2.429 1.00 0.00 C
ATOM 24 OE1 GLU A 2 10.455 3.138 -3.454 1.00 0.00 O
ATOM 25 OE2 GLU A 2 10.455 1.197 -2.334 1.00 0.00 O
ATOM 26 C GLU A 2 8.188 5.259 0.000 1.00 0.00 C
ATOM 27 O GLU A 2 7.425 6.222 0.000 1.00 0.00 O
ATOM 28 N VAL A 3 9.517 5.386 0.000 1.00 0.00 N
ATOM 29 H VAL A 3 10.103 4.564 0.000 1.00 0.00 H
ATOM 30 CA VAL A 3 10.161 6.684 0.000 1.00 0.00 C
ATOM 31 HA VAL A 3 9.863 7.239 -0.890 1.00 0.00 H
ATOM 32 CB VAL A 3 9.768 7.492 1.232 1.00 0.00 C
ATOM 33 HB VAL A 3 8.688 7.640 1.241 1.00 0.00 H
ATOM 34 CG1 VAL A 3 10.189 6.739 2.490 1.00 0.00 C
ATOM 35 HG11 VAL A 3 11.269 6.592 2.481 1.00 0.00 H
ATOM 36 HG12 VAL A 3 9.908 7.316 3.371 1.00 0.00 H
ATOM 37 HG13 VAL A 3 9.691 5.770 2.517 1.00 0.00 H
ATOM 38 CG2 VAL A 3 10.465 8.848 1.195 1.00 0.00 C
ATOM 39 HG21 VAL A 3 10.165 9.387 0.296 1.00 0.00 H
ATOM 40 HG22 VAL A 3 10.185 9.426 2.075 1.00 0.00 H
ATOM 41 HG23 VAL A 3 11.545 8.702 1.186 1.00 0.00 H
ATOM 42 C VAL A 3 11.677 6.544 0.000 1.00 0.00 C
ATOM 43 O VAL A 3 12.200 5.432 0.000 1.00 0.00 O
ATOM 44 N ILE A 4 12.382 7.677 0.000 1.00 0.00 N
ATOM 45 H ILE A 4 11.906 8.568 0.000 1.00 0.00 H
ATOM 46 CA ILE A 4 13.831 7.677 0.000 1.00 0.00 C
ATOM 47 HA ILE A 4 14.195 7.163 0.890 1.00 0.00 H
ATOM 48 CB ILE A 4 14.339 6.958 -1.245 1.00 0.00 C
ATOM 49 HB ILE A 4 13.976 5.931 -1.246 1.00 0.00 H
ATOM 50 CG2 ILE A 4 13.831 7.677 -2.490 1.00 0.00 C
ATOM 51 HG21 ILE A 4 14.194 8.705 -2.491 1.00 0.00 H
ATOM 52 HG22 ILE A 4 14.194 7.164 -3.381 1.00 0.00 H
ATOM 53 HG23 ILE A 4 12.741 7.677 -2.491 1.00 0.00 H
ATOM 54 CG1 ILE A 4 15.864 6.958 -1.245 1.00 0.00 C
ATOM 55 HG12 ILE A 4 16.228 7.986 -1.245 1.00 0.00 H
ATOM 56 HG13 ILE A 4 16.228 6.445 -0.355 1.00 0.00 H
ATOM 57 CD1 ILE A 4 16.373 6.239 -2.490 1.00 0.00 C
ATOM 58 HD11 ILE A 4 16.010 6.753 -3.381 1.00 0.00 H
ATOM 59 HD12 ILE A 4 17.463 6.239 -2.491 1.00 0.00 H
ATOM 60 HD13 ILE A 4 16.010 5.212 -2.491 1.00 0.00 H
ATOM 61 C ILE A 4 14.379 9.097 0.000 1.00 0.00 C
ATOM 62 O ILE A 4 13.616 10.060 0.000 1.00 0.00 O
ATOM 63 OXT ILE A 4 15.666 9.052 0.064 1.00 0.00 O
TER 64 ILE A 4
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