{ s_m_m2io_version ::: 2.0.0 } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_Source_Path s_m_Source_File i_m_Source_File_Index i_m_ct_format ::: foo_e_chg 1 gc.1 /tmp gc.mae 1 2 m_atom[21] { # First column is atom index # i_m_mmod_type r_m_x_coord r_m_y_coord r_m_z_coord i_m_residue_number s_m_chain_name i_m_color r_m_charge1 s_m_pdb_residue_name s_m_pdb_atom_name i_m_atomic_number i_m_formal_charge s_m_color_rgb s_m_atom_name i_m_secondary_structure s_m_label_format i_m_label_color s_m_label_user_text r_m_pdb_occupancy r_m_pdb_tfactor i_pdb_PDB_serial ::: 1 32 -1.195000 0.201000 -0.206000 1 D 38 0.29000 "GLY " " N " 7 1 3333FF N1 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 18.5 1 2 3 0.230000 0.318000 -0.502000 1 D 137 -0.01000 "GLY " " CA " 6 0 33FF33 C2 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 24.17 2 3 2 1.059000 -0.390000 0.542000 1 D 137 0.62000 "GLY " " C " 6 0 33FF33 C3 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 11.07 3 4 15 0.545000 -0.975000 1.499000 1 D 74 -0.57000 "GLY " " O " 8 0 FF4C4C O4 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 31.09 4 5 48 -1.720000 0.216000 -1.069000 1 D 104 0.16000 "GLY " " H2 " 1 0 E5E5E5 H5 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 18.5 12 6 48 -1.369000 -0.668000 0.278000 1 D 104 0.16000 "GLY " " H3 " 1 0 E5E5E5 H6 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 18.5 13 7 48 -1.483000 0.974000 0.376000 1 D 104 0.16000 "GLY " " H1 " 1 0 E5E5E5 H7 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 18.5 14 8 48 0.499000 1.374000 -0.501000 1 D 104 0.09000 "GLY " " HA3" 1 0 E5E5E5 H8 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 24.17 15 9 48 0.430000 -0.125000 -1.478000 1 D 104 0.09000 "GLY " " HA " 1 0 E5E5E5 H9 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 0.75 24.17 16 10 25 2.345000 -0.383000 0.430000 2 D 38 -0.38000 "CYS " " N " 7 0 3333FF N10 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 48.64 5 11 3 3.147000 -1.068000 1.440000 2 D 137 -0.16000 "CYS " " CA " 6 0 33FF33 C11 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 41.94 6 12 2 4.621000 -0.946000 1.133000 2 D 137 0.75000 "CYS " " C " 6 0 33FF33 C12 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 0.21 7 13 15 5.037000 -0.333000 0.139000 2 D 74 -0.80000 "CYS " " O " 8 0 FF4C4C O13 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 3.55 8 14 3 2.682000 -2.534000 1.523000 2 D 137 -0.20000 "CYS " " CB " 6 0 33FF33 C14 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 38.71 9 15 52 3.512000 -3.392000 2.881000 2 D 25 -0.31000 "CYS " " SG " 16 0 E5C53F S15 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 18.13 10 16 18 5.566000 -1.556000 2.016000 2 D 74 -0.80000 "CYS " " OXT" 8 -1 FF4C4C O16 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 0.21 11 17 48 3.002000 -0.602000 2.415000 2 D 104 0.14000 "CYS " " HA " 1 0 E5E5E5 H17 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 41.94 17 18 48 2.933000 -3.034000 0.588000 2 D 104 0.14000 "CYS " " HB2" 1 0 E5E5E5 H18 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 38.71 18 19 48 1.605000 -2.560000 1.688000 2 D 104 0.14000 "CYS " " HB3" 1 0 E5E5E5 H19 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 38.71 19 20 48 3.830000 -4.636000 2.497000 2 D 104 0.21000 "CYS " " HG " 1 0 E5E5E5 H20 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 18.13 20 21 48 2.790000 0.089000 -0.344000 2 D 104 0.27000 "CYS " " H " 1 0 E5E5E5 H21 0 %EL%FC%XY0.1%C10.3%OC%BF%RT%RN%CH%PA%NU%UA:i_pdb_PDB_serial: 2 "" 1 48.64 21 ::: } m_bond[20] { # First column is bond index # i_m_from i_m_to i_m_order i_m_from_rep i_m_to_rep ::: 1 1 2 1 2 2 2 1 5 1 2 2 3 1 6 1 2 2 4 1 7 1 2 2 5 2 3 1 2 2 6 2 8 1 2 2 7 2 9 1 2 2 8 3 4 2 2 2 9 3 10 1 2 2 10 10 11 1 2 2 11 10 21 1 2 2 12 11 12 1 2 2 13 11 14 1 2 2 14 11 17 1 2 2 15 12 13 2 2 2 16 12 16 1 2 2 17 14 15 1 2 2 18 14 18 1 2 2 19 14 19 1 2 2 20 15 20 1 2 2 ::: } }