{ s_m_m2io_version ::: 2.0.0 } f_m_ct { s_m_title r_pdb_PDB_CRYST1_a r_pdb_PDB_CRYST1_b r_pdb_PDB_CRYST1_c r_pdb_PDB_CRYST1_alpha r_pdb_PDB_CRYST1_beta r_pdb_PDB_CRYST1_gamma s_pdb_PDB_CRYST1_Space_Group i_pdb_PDB_CRYST1_z ::: "" 99.312 99.312 99.312 90 90 90 "P 1" 1 m_atom[272] { # 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_insertion_code s_m_mmod_res s_m_chain_name i_m_color r_m_charge1 r_m_charge2 s_m_pdb_residue_name s_m_pdb_atom_name s_m_grow_name i_m_atomic_number i_m_formal_charge s_m_atom_name i_m_secondary_structure r_m_pdb_occupancy i_pdb_PDB_serial s_pdb_segment_id ::: 1 32 -6.349000 16.951000 1.541000 1 " " D A 2 0.00000 0.00000 "ASP " " N " " " 7 1 "" 0 0 1 "C1 " 2 3 -6.424000 16.631000 2.987000 1 " " D A 2 0.00000 0.00000 "ASP " " CA " " " 6 0 "" 0 0 2 "C1 " 3 2 -5.828000 15.191000 3.241000 1 " " D A 2 0.00000 0.00000 "ASP " " C " " " 6 0 "" 0 0 3 "C1 " 4 15 -4.661000 14.952000 3.554000 1 " " D A 2 0.00000 0.00000 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"C1 " 269 41 -8.182000 15.770000 -3.125000 20 " " S A 2 0.00000 0.00000 "SER " " HA " " " 1 0 "" 0 0 269 "C1 " 270 41 -10.770000 15.615000 -2.992000 20 " " S A 2 0.00000 0.00000 "SER " "2HB " " " 1 0 "" 0 0 270 "C1 " 271 41 -10.643000 16.436000 -1.444000 20 " " S A 2 0.00000 0.00000 "SER " " HB3" " " 1 0 "" 0 0 271 "C1 " 272 42 -10.734000 18.271000 -2.808000 20 " " S A 2 0.00000 0.00000 "SER " " HG " " " 1 0 "" 0 0 272 "C1 " ::: } m_bond[556] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 9 1 3 1 10 1 4 1 11 1 5 2 1 1 6 2 3 1 7 2 5 1 8 2 12 1 9 3 2 1 10 3 4 2 11 3 15 1 12 4 3 2 13 5 2 1 14 5 6 1 15 5 13 1 16 5 14 1 17 6 5 1 18 6 7 2 19 6 8 1 20 7 6 2 21 8 6 1 22 9 1 1 23 10 1 1 24 11 1 1 25 12 2 1 26 13 5 1 27 14 5 1 28 15 3 1 29 15 16 1 30 15 20 1 31 16 15 1 32 16 17 1 33 16 19 1 34 16 21 1 35 17 16 1 36 17 18 2 37 17 25 1 38 18 17 2 39 19 16 1 40 19 22 1 41 19 23 1 42 19 24 1 43 20 15 1 44 21 16 1 45 22 19 1 46 23 19 1 47 24 19 1 48 25 17 1 49 25 26 1 50 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