NAME CRO IO_STRING CRO X TYPE POLYMER AA UNK ATOM CA2 aroC X 0.12 ATOM CB2 CH1 X 0.14 ATOM CG2 aroC X 0.12 ATOM CD1 aroC X 0.12 ATOM CE1 aroC X 0.12 ATOM CZ aroC X 0.12 ATOM CE2 aroC X 0.12 ATOM CD2 aroC X 0.12 ATOM OH OOC X -0.53 ATOM C2 aroC X 0.12 ATOM O2 ONH2 X -0.32 ATOM N3 Nbb X -0.14 ATOM CA3 CH1 X 0.14 ATOM C CObb X 0.85 ATOM O OCbb X -0.53 ATOM C1 aroC X 0.12 ATOM CA1 CH1 X 0.14 ATOM CB1 CH1 X 0.14 ATOM CG1 CH1 X 0.14 ATOM OG1 OOC X -0.53 ATOM N Nbb X -0.61 ATOM N2 Nhis X -0.30 LOWER_CONNECT N UPPER_CONNECT C BOND_TYPE CA1 CB1 1 BOND_TYPE CA1 C1 1 BOND_TYPE CA1 N 1 BOND_TYPE CA2 CB2 1 BOND_TYPE CA2 C2 4 BOND_TYPE CA2 N2 4 BOND_TYPE CA3 C 1 BOND_TYPE CA3 N3 1 BOND_TYPE CB1 CG1 1 BOND_TYPE CB1 OG1 1 BOND_TYPE CB2 CG2 1 BOND_TYPE CG2 CD1 4 BOND_TYPE CG2 CD2 4 BOND_TYPE CD1 CE1 4 BOND_TYPE CD2 CE2 4 BOND_TYPE CE1 CZ 4 BOND_TYPE CE2 CZ 4 BOND_TYPE CZ OH 2 BOND_TYPE C1 N2 4 BOND_TYPE C1 N3 4 BOND_TYPE C2 O2 2 BOND_TYPE C2 N3 4 BOND_TYPE C O 2 CHI 1 C1 CA1 CB1 CG1 CHI 2 N3 C1 CA1 CB1 CHI 3 C2 CA2 CB2 CG2 CHI 4 N3 CA3 C O CHI 5 C2 N3 CA3 C CHI 6 CA2 CB2 CG2 CD1 PROPERTIES POLYMER NBR_ATOM CA2 NBR_RADIUS 7.054586 ICOOR_INTERNAL CA2 0.000000 0.000000 0.000000 CA2 CB2 CG2 ICOOR_INTERNAL CB2 0.000000 180.000000 1.389171 CA2 CB2 CG2 ICOOR_INTERNAL CG2 -0.000000 47.762435 1.422677 CB2 CA2 CG2 ICOOR_INTERNAL CD1 0.471583 58.715583 1.499702 CG2 CB2 CA2 ICOOR_INTERNAL CE1 178.931329 57.559438 1.404708 CD1 CG2 CB2 ICOOR_INTERNAL CZ 0.176146 58.754492 1.503140 CE1 CD1 CG2 ICOOR_INTERNAL CE2 -0.498865 64.103976 1.499187 CZ CE1 CD1 ICOOR_INTERNAL CD2 0.555177 57.850215 1.409277 CE2 CZ CE1 ICOOR_INTERNAL OH -179.536655 57.373358 1.253937 CZ CE1 CE2 ICOOR_INTERNAL C2 -177.524450 58.235304 1.493584 CA2 CB2 CG2 ICOOR_INTERNAL O2 -1.812751 49.579092 1.228359 C2 CA2 CB2 ICOOR_INTERNAL N3 179.732586 75.641322 1.438067 C2 CA2 O2 ICOOR_INTERNAL CA3 -178.145168 50.080578 1.462040 N3 C2 CA2 ICOOR_INTERNAL C -69.849661 55.846636 1.457450 CA3 N3 C2 ICOOR_INTERNAL C1 179.414907 75.519978 1.442297 N3 C2 CA3 ICOOR_INTERNAL CA1 179.634402 58.203729 1.477738 C1 N3 C2 ICOOR_INTERNAL CB1 -152.424669 65.947775 1.552884 CA1 C1 N3 ICOOR_INTERNAL CG1 178.767630 69.204600 1.525418 CB1 CA1 C1 ICOOR_INTERNAL OG1 116.944332 70.465980 1.411633 CB1 CA1 CG1 ICOOR_INTERNAL N -115.563816 75.347871 1.411411 CA1 C1 CB1 ICOOR_INTERNAL N2 179.218696 65.604014 1.316062 C1 N3 CA1 ICOOR_INTERNAL UPPER 149.999985 63.800007 1.328685 C CA3 N3 ICOOR_INTERNAL LOWER -150.000000 58.300003 1.328685 N CA1 C1 ICOOR_INTERNAL O -180.000000 59.200005 1.231015 C CA3 UPPER