# Rosetta params file for 1,3,5-tris(bromomethyl)benzene, # a cysteine-crosslinker. File created 22 Sept. 2014 # by Vikram K. Mulligan, Baker laboratory. NAME TBMB IO_STRING TBM X TYPE LIGAND AA UNK ATOM CM1 CH2 CT2 0.02 ATOM C1 aroC CA -0.08 ATOM C2 aroC CA -0.08 ATOM C3 aroC CA -0.08 ATOM C4 aroC CA -0.08 ATOM C5 aroC CA -0.08 ATOM C6 aroC CA -0.08 ATOM CM2 CH2 CT2 0.02 ATOM CM3 CH2 CT2 0.02 ATOM V1 VIRT VIRT 0.00 ATOM V2 VIRT VIRT 0.00 ATOM V3 VIRT VIRT 0.00 ATOM H1 Hapo HA 0.04 ATOM H2 Hapo HA 0.04 ATOM H3 Haro HP 0.06 ATOM H4 Hapo HA 0.04 ATOM H5 Hapo HA 0.04 ATOM H6 Haro HP 0.06 ATOM H7 Haro HP 0.06 ATOM H8 Hapo HA 0.04 ATOM H9 Hapo HA 0.04 CONNECT CM1 CONNECT CM2 CONNECT CM3 BOND_TYPE CM1 C1 1 BOND_TYPE C1 C2 ARO BOND_TYPE C2 C3 ARO BOND_TYPE C3 CM2 1 BOND_TYPE C3 C4 ARO BOND_TYPE C4 C5 ARO BOND_TYPE C5 C6 ARO BOND_TYPE C6 C1 ARO BOND_TYPE C5 CM3 1 BOND_TYPE CM3 V3 1 BOND_TYPE CM2 V2 1 BOND_TYPE CM1 V1 1 BOND_TYPE CM1 H1 1 BOND_TYPE CM1 H2 1 BOND_TYPE C2 H3 1 BOND_TYPE CM2 H4 1 BOND_TYPE CM2 H5 1 BOND_TYPE C4 H6 1 BOND_TYPE C6 H7 1 BOND_TYPE CM3 H8 1 BOND_TYPE CM3 H9 1 CUT_BOND C6 C1 CHI 1 C2 C1 CM1 V1 CHI 2 C4 C3 CM2 V2 CHI 3 C6 C5 CM3 V3 PROTON_CHI 1 SAMPLES 3 -60 60 180 EXTRA 1 20 PROTON_CHI 2 SAMPLES 3 -60 60 180 EXTRA 1 20 PROTON_CHI 3 SAMPLES 3 -60 60 180 EXTRA 1 20 NBR_ATOM C1 C3 C5 NBR_RADIUS 7.0 ICOOR_INTERNAL CM1 0.000000 0.000000 0.000000 CM1 C1 C2 ICOOR_INTERNAL C1 0.000000 180.000000 1.507412 CM1 C1 C2 ICOOR_INTERNAL C2 0.000000 59.466536 1.402807 C1 CM1 C2 ICOOR_INTERNAL C3 -179.804316 58.952618 1.402964 C2 C1 CM1 ICOOR_INTERNAL C4 0.980577 61.044429 1.402776 C3 C2 C1 ICOOR_INTERNAL C5 -0.956983 58.969224 1.402947 C4 C3 C2 ICOOR_INTERNAL C6 0.981715 61.008910 1.402477 C5 C4 C3 ICOOR_INTERNAL CM2 179.854202 59.468190 1.507747 C3 C2 C1 ICOOR_INTERNAL CM3 179.799261 59.489919 1.508065 C5 C4 C3 ICOOR_INTERNAL CONN3 -89.751555 68.097039 1.793000 CM3 C5 C4 ICOOR_INTERNAL CONN2 89.104900 68.088447 1.793000 CM2 C3 C4 ICOOR_INTERNAL CONN1 89.638221 68.089550 1.793000 CM1 C1 C2 ICOOR_INTERNAL V3 0.000000 68.097039 1.793000 CM3 C5 CONN3 ICOOR_INTERNAL V2 0.000000 68.088447 1.793000 CM2 C3 CONN2 ICOOR_INTERNAL V1 0.000000 68.089550 1.793000 CM1 C1 CONN1 ICOOR_INTERNAL H1 121.411644 70.404074 1.096281 CM1 C1 V1 ICOOR_INTERNAL H2 117.197337 70.383674 1.096044 CM1 C1 H1 ICOOR_INTERNAL H7 -178.145340 60.502099 1.088690 C6 C1 C2 ICOOR_INTERNAL H3 -179.109860 60.539188 1.088803 C2 C3 C1 ICOOR_INTERNAL H4 -121.412238 70.420581 1.095993 CM2 C3 V2 ICOOR_INTERNAL H5 -117.174642 70.393619 1.095961 CM2 C3 H4 ICOOR_INTERNAL H6 -179.083470 60.514410 1.088770 C4 C5 C3 ICOOR_INTERNAL H8 -121.407184 70.449566 1.096055 CM3 C5 V3 ICOOR_INTERNAL H9 -117.163700 70.402252 1.096047 CM3 C5 H8