NAME LG1 IO_STRING LG1 Z TYPE LIGAND AA UNK ATOM C2 CH2 X 0.07 ATOM C1 CH1 X 0.02 ATOM N1 Nlys X 0.23 ATOM H1 Hpol X 0.20 ATOM H2 Hpol X 0.20 ATOM H3 Hpol X 0.20 ATOM C3 COO X 0.09 ATOM O1 OOC X -0.54 ATOM O2 OOC X -0.54 ATOM H6 Hapo X 0.09 ATOM C4 CNH2 X 0.22 ATOM O3 ONH2 X -0.28 ATOM N2 NH2O X -0.33 ATOM H4 Hpol X 0.14 ATOM H5 Hpol X 0.14 ATOM H7 Hapo X 0.04 ATOM H8 Hapo X 0.04 BOND_TYPE O1 C3 4 BOND_TYPE O2 C3 4 BOND_TYPE O3 C4 2 BOND_TYPE N1 C1 1 BOND_TYPE N2 C4 4 BOND_TYPE C1 C2 1 BOND_TYPE C1 C3 1 BOND_TYPE C2 C4 1 BOND_TYPE N1 H1 1 BOND_TYPE N1 H2 1 BOND_TYPE N1 H3 1 BOND_TYPE N2 H4 1 BOND_TYPE N2 H5 1 BOND_TYPE C1 H6 1 BOND_TYPE C2 H7 1 BOND_TYPE C2 H8 1 CHI 1 C4 C2 C1 N1 CHI 2 C2 C1 C3 O1 CHI 3 C1 C2 C4 O3 NBR_ATOM C2 NBR_RADIUS 4.409614 ICOOR_INTERNAL C2 0.000000 0.000000 0.000000 C2 C1 N1 ICOOR_INTERNAL C1 0.000000 180.000000 1.530237 C2 C1 N1 ICOOR_INTERNAL N1 0.000000 70.565421 1.464951 C1 C2 N1 ICOOR_INTERNAL H1 60.467464 70.530249 1.019982 N1 C1 C2 ICOOR_INTERNAL H2 -120.000734 70.531541 1.019998 N1 C1 H1 ICOOR_INTERNAL H3 -120.000974 70.531799 1.020022 N1 C1 H2 ICOOR_INTERNAL C3 -117.110748 69.495506 1.520320 C1 C2 N1 ICOOR_INTERNAL O1 58.882272 67.994184 1.359057 C3 C1 C2 ICOOR_INTERNAL O2 178.888715 54.603840 1.224513 C3 C1 O1 ICOOR_INTERNAL H6 -121.126091 72.087148 1.069958 C1 C2 C3 ICOOR_INTERNAL C4 179.919735 68.992324 1.516224 C2 C1 N1 ICOOR_INTERNAL O3 -120.421566 57.707344 1.228675 C4 C2 C1 ICOOR_INTERNAL N2 -179.024198 66.278572 1.375027 C4 C2 O3 ICOOR_INTERNAL H4 -179.996785 59.997663 0.984499 N2 C4 C2 ICOOR_INTERNAL H5 179.996957 60.004233 0.984509 N2 C4 H4 ICOOR_INTERNAL H7 -120.229518 70.914037 1.070002 C2 C1 C4 ICOOR_INTERNAL H8 -120.496334 71.427455 1.069967 C2 C1 H7 PDB_ROTAMERS N_conformers.pdb