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 Npro 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 ATOM H HNbb X 0.31 ATOM HA1 Hapo HB 0.09 0.000 ATOM 1HA3 Hapo HB 0.09 0.000 ATOM 2HA3 Hapo HB 0.09 0.000 ATOM HH Hpol H 0.43 0.435 ATOM HD1 Haro HP 0.115 0.125 ATOM HD2 Haro HP 0.115 0.125 ATOM HE1 Haro HP 0.115 0.125 ATOM HE2 Haro HP 0.115 0.125 ATOM HB2 Hapo HA 0.09 0.000 ATOM HB1 Hapo HA 0.09 0.000 ATOM HG1 Hpol H 0.43 0.490 ATOM 1HG1 Hapo HA 0.09 0.000 ATOM 2HG1 Hapo HA 0.09 0.000 ATOM 3HG1 Hapo HA 0.09 0.000 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 BOND_TYPE N H 1 BOND CA1 HA1 BOND CA3 1HA3 BOND CA3 2HA3 BOND CB2 HB2 BOND CD1 HD1 BOND CD2 HD2 BOND CE1 HE1 BOND CE2 HE2 BOND OH HH BOND CG1 1HG1 BOND CG1 2HG1 BOND CG1 3HG1 BOND OG1 HG1 BOND CB1 HB1 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 CHI 7 CE2 CZ OH HH CHI 8 CA1 CB1 OG1 HG1 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 ICOOR_INTERNAL H -180.000000 60.849998 1.010000 N CA1 LOWER ICOOR_INTERNAL HA1 -119.000000 71.500000 1.090319 CA1 N CB1 ICOOR_INTERNAL 1HA3 121.400000 70.500000 1.090168 CA3 N3 C ICOOR_INTERNAL 2HA3 117.200000 70.500000 1.089353 CA3 N3 1HA3 ICOOR_INTERNAL HB2 180.000000 70.500000 1.090973 CB2 CA2 N2 ICOOR_INTERNAL HE1 180.000000 60.000000 1.089660 CE1 CD1 CG2 ICOOR_INTERNAL HD1 180.000000 60.000000 1.090234 CD1 CG2 CE1 ICOOR_INTERNAL HE2 -179.948822 60.000000 1.090286 CE2 CD2 CZ ICOOR_INTERNAL HD2 -179.936905 60.000000 1.090021 CD2 CG2 CE2 ICOOR_INTERNAL HH 0.000000 70.600000 0.960239 OH CZ CE2 ICOOR_INTERNAL 1HG1 -179.978256 70.500000 1.089826 CG1 CB1 CA1 ICOOR_INTERNAL 2HG1 120.032188 70.500000 1.089862 CG1 CB1 1HG1 ICOOR_INTERNAL 3HG1 119.987984 70.500000 1.089241 CG1 CB1 2HG1 ICOOR_INTERNAL HG1 0.000034 70.573135 0.960297 OG1 CB1 CA1 ICOOR_INTERNAL HB1 -120.292923 70.500000 1.089822 CB1 CA1 CG1