NAME UNK IO_STRING TYR Z TYPE LIGAND AA UNK ATOM C3 CH2 W -0.16 ATOM C1 CH1 W -0.07 ATOM N1 NH2O W -0.45 ATOM H1 Hpol W 0.45 ATOM H2 Hpol W 0.45 ATOM C2 COO W 0.64 ATOM O1 OOC W -0.74 ATOM O3 OH W -0.64 ATOM H11 Hpol W 0.45 ATOM H3 Hapo W 0.11 ATOM C4 aroC W -0.10 ATOM C5 aroC W -0.10 ATOM C7 aroC W -0.10 ATOM C9 aroC W -0.10 ATOM C8 aroC W -0.10 ATOM C6 aroC W -0.10 ATOM H7 Haro W 0.13 ATOM H9 Haro W 0.13 ATOM O2 OH W -0.64 ATOM H10 Hpol W 0.45 ATOM H8 Haro W 0.13 ATOM H6 Haro W 0.13 ATOM H4 Hapo W 0.11 ATOM H5 Hapo W 0.11 BOND_TYPE N1 C1 1 BOND_TYPE N1 H1 1 BOND_TYPE N1 H2 1 BOND_TYPE C1 C2 1 BOND_TYPE C1 C3 1 BOND_TYPE C1 H3 1 BOND_TYPE C2 O1 2 BOND_TYPE C2 O3 1 BOND_TYPE C3 C4 1 BOND_TYPE C3 H4 1 BOND_TYPE C3 H5 1 BOND_TYPE C4 C5 2 BOND_TYPE C4 C6 1 BOND_TYPE C5 C7 1 BOND_TYPE C5 H6 1 BOND_TYPE C6 C8 2 BOND_TYPE C6 H7 1 BOND_TYPE C7 C9 2 BOND_TYPE C7 H8 1 BOND_TYPE C8 C9 1 BOND_TYPE C8 H9 1 BOND_TYPE C9 O2 1 BOND_TYPE O2 H10 1 BOND_TYPE O3 H11 1 CHI 1 C1 C2 O3 H11 PROTON_CHI 1 SAMPLES 2 0 180 EXTRA 1 20 CHI 2 C7 C9 O2 H10 PROTON_CHI 2 SAMPLES 2 0 180 EXTRA 1 20 CHI 3 C3 C1 C2 O1 CHI 4 C4 C3 C1 N1 CHI 5 C1 C3 C4 C5 NBR_ATOM C3 NBR_RADIUS 6.597809 ICOOR_INTERNAL C3 0.000000 0.000000 0.000000 C3 C1 N1 ICOOR_INTERNAL C1 0.000000 179.999999 1.528990 C3 C1 N1 ICOOR_INTERNAL N1 0.000000 70.488109 1.468698 C1 C3 N1 ICOOR_INTERNAL H1 -59.957634 73.358154 1.009144 N1 C1 C3 ICOOR_INTERNAL H2 113.719150 73.376585 1.009218 N1 C1 H1 ICOOR_INTERNAL C2 -120.013719 70.559216 1.507088 C1 C3 N1 ICOOR_INTERNAL O1 90.122732 60.006339 1.207252 C2 C1 C3 ICOOR_INTERNAL O3 179.828949 59.999326 1.342238 C2 C1 O1 ICOOR_INTERNAL H11 -179.889330 59.980280 0.967201 O3 C2 C1 ICOOR_INTERNAL H3 -119.998260 70.537133 1.090631 C1 C3 C2 ICOOR_INTERNAL C4 -60.020000 70.567371 1.506583 C3 C1 N1 ICOOR_INTERNAL C5 90.071535 60.069452 1.382152 C4 C3 C1 ICOOR_INTERNAL C7 -179.992406 59.906672 1.381207 C5 C4 C3 ICOOR_INTERNAL C9 -0.122989 60.043779 1.386772 C7 C5 C4 ICOOR_INTERNAL C8 0.060445 60.155881 1.388532 C9 C7 C5 ICOOR_INTERNAL C6 -0.292350 60.036824 1.380816 C8 C9 C7 ICOOR_INTERNAL H7 -179.964987 60.033551 1.079411 C6 C8 C9 ICOOR_INTERNAL H9 -179.787062 60.028625 1.079789 C8 C9 C6 ICOOR_INTERNAL O2 179.984776 59.874053 1.357848 C9 C7 C8 ICOOR_INTERNAL H10 90.025696 73.092845 0.966671 O2 C9 C7 ICOOR_INTERNAL H8 -179.934030 59.910520 1.079308 C7 C5 C9 ICOOR_INTERNAL H6 179.920824 60.036882 1.079728 C5 C4 C7 ICOOR_INTERNAL H4 120.034412 70.475505 1.088727 C3 C1 C4 ICOOR_INTERNAL H5 120.009733 70.505549 1.090855 C3 C1 H4 PDB_ROTAMERS TYR_conformers.pdb