{ s_m_m2io_version ::: 2.0.0 } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_source_file i_m_source_file_index i_m_ct_format ::: x_lines 1 x.1 /tmp/x.pdb 1 2 m_atom[60] { # 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_mmod_res i_m_color s_m_pdb_residue_name s_m_pdb_atom_name i_m_atomic_number i_m_formal_charge s_m_color_rgb i_m_secondary_structure r_m_pdb_occupancy i_pdb_PDB_serial ::: 1 34 1.968000 -1.400000 -2.402000 1 A 38 "ALA " " N " 7 1 2F2FFF 0 1 1 2 3 2.644000 -0.106000 -2.402000 1 A 10 "ALA " " CA " 6 0 1EE11E 0 1 2 3 2 4.144000 -0.280000 -2.402000 1 A 10 "ALA " " C " 6 0 1EE11E 0 1 3 4 15 4.878000 0.354000 -3.168000 1 A 75 "ALA " " O " 8 0 FF5757 0 1 4 5 3 2.136000 0.686000 -1.185000 1 A 10 "ALA " " CB " 6 0 1EE11E 0 1 5 6 44 2.514000 -2.332000 -2.402000 1 A 21 "ALA " " H " 1 0 FFFFFF 0 1 6 7 41 2.376000 0.433000 -3.330000 1 A 21 "ALA " " HA " 1 0 FFFFFF 0 1 7 8 41 1.040000 0.836000 -1.221000 1 A 21 "ALA " "1HB " 1 0 FFFFFF 0 1 8 9 41 2.360000 0.172000 -0.230000 1 A 21 "ALA " "2HB " 1 0 FFFFFF 0 1 9 10 41 2.592000 1.691000 -1.128000 1 A 21 "ALA " "3HB " 1 0 FFFFFF 0 1 10 11 25 4.750000 -1.234000 -1.461000 2 A 38 "ALA " " N " 7 0 2F2FFF 1 1 11 12 3 6.190000 -1.180000 -1.696000 2 A 10 "ALA " " CA " 6 0 1EE11E 1 1 12 13 2 6.515000 -1.493000 -3.137000 2 A 10 "ALA " " C " 6 0 1EE11E 1 1 13 14 15 7.296000 -0.799000 -3.799000 2 A 75 "ALA " " O " 8 0 FF5757 1 1 14 15 3 6.860000 -2.153000 -0.710000 2 A 10 "ALA " " CB " 6 0 1EE11E 1 1 15 16 43 4.234000 -1.850000 -0.740000 2 A 21 "ALA " " H " 1 0 FFFFFF 1 1 16 17 41 6.543000 -0.151000 -1.495000 2 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 17 18 41 6.642000 -1.886000 0.342000 2 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 18 19 41 6.519000 -3.196000 -0.856000 2 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 19 20 41 7.960000 -2.153000 -0.816000 2 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 20 21 25 5.882000 -2.657000 -3.773000 3 A 38 "ALA " " N " 7 0 2F2FFF 1 1 21 22 3 6.384000 -2.698000 -5.144000 3 A 10 "ALA " " CA " 6 0 1EE11E 1 1 22 23 2 6.090000 -1.404000 -5.865000 3 A 10 "ALA " " C " 6 0 1EE11E 1 1 23 24 15 6.950000 -0.813000 -6.529000 3 A 75 "ALA " " O " 8 0 FF5757 1 1 24 25 3 5.758000 -3.921000 -5.834000 3 A 10 "ALA " " CB " 6 0 1EE11E 1 1 25 26 43 5.185000 -3.345000 -3.318000 3 A 21 "ALA " " H " 1 0 FFFFFF 1 1 26 27 41 7.484000 -2.814000 -5.114000 3 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 27 28 41 6.015000 -4.863000 -5.313000 3 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 28 29 41 4.652000 -3.861000 -5.866000 3 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 29 30 41 6.108000 -4.030000 -6.877000 3 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 30 31 25 4.740000 -0.830000 -5.776000 4 A 38 "ALA " " N " 7 0 2F2FFF 1 1 31 32 3 4.765000 0.399000 -6.564000 4 A 10 "ALA " " CA " 6 0 1EE11E 1 1 32 33 2 5.836000 1.339000 -6.065000 4 A 10 "ALA " " C " 6 0 1EE11E 1 1 33 34 15 6.624000 1.903000 -6.833000 4 A 75 "ALA " " O " 8 0 FF5757 1 1 34 35 3 3.357000 1.016000 -6.510000 4 A 10 "ALA " " CB " 6 0 1EE11E 1 1 35 36 43 3.897000 -1.236000 -5.235000 4 A 21 "ALA " " H " 1 0 FFFFFF 1 1 36 37 41 5.015000 0.143000 -7.611000 4 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 37 38 41 2.591000 0.328000 -6.915000 4 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 38 39 41 3.051000 1.268000 -5.476000 4 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 39 40 41 3.292000 1.947000 -7.104000 4 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 40 41 25 5.944000 1.593000 -4.621000 5 A 38 "ALA " " N " 7 0 2F2FFF 1 1 41 42 3 7.053000 2.527000 -4.451000 5 A 10 "ALA " " CA " 6 0 1EE11E 1 1 42 43 2 8.325000 1.970000 -5.045000 5 A 10 "ALA " " C " 6 0 1EE11E 1 1 43 44 15 9.056000 2.644000 -5.780000 5 A 75 "ALA " " O " 8 0 FF5757 1 1 44 45 3 7.181000 2.832000 -2.949000 5 A 10 "ALA " " CB " 6 0 1EE11E 1 1 45 46 43 5.327000 1.172000 -3.841000 5 A 21 "ALA " " H " 1 0 FFFFFF 1 1 46 47 41 6.816000 3.459000 -4.998000 5 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 47 48 41 6.253000 3.275000 -2.540000 5 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 48 49 41 7.394000 1.922000 -2.355000 5 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 49 50 41 7.993000 3.553000 -2.743000 5 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 50 51 25 8.704000 0.582000 -4.741000 6 A 38 "ALA " " N " 7 0 2F2FFF 0 1 51 52 3 9.958000 0.338000 -5.447000 6 A 10 "ALA " " CA " 6 0 1EE11E 0 1 52 53 7 9.804000 0.592000 -6.928000 6 A 10 "ALA " " C " 6 0 1EE11E 0 1 53 54 15 8.734000 0.968000 -7.421000 6 A 75 "ALA " " O " 8 0 FF5757 0 1 54 55 3 10.398000 -1.103000 -5.133000 6 A 10 "ALA " " CB " 6 0 1EE11E 0 1 55 56 43 8.163000 -0.116000 -4.120000 6 A 21 "ALA " " H " 1 0 FFFFFF 0 1 56 57 41 10.720000 1.045000 -5.071000 6 A 21 "ALA " " HA " 1 0 FFFFFF 0 1 57 58 41 10.542000 -1.260000 -4.047000 6 A 21 "ALA " "1HB " 1 0 FFFFFF 0 1 58 59 41 9.652000 -1.849000 -5.470000 6 A 21 "ALA " "2HB " 1 0 FFFFFF 0 1 59 60 41 11.356000 -1.357000 -5.620000 6 A 21 "ALA " "3HB " 1 0 FFFFFF 0 1 60 ::: } m_bond[59] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 2 3 1 4 2 5 1 5 2 7 1 6 3 4 2 7 3 11 1 8 5 8 1 9 5 9 1 10 5 10 1 11 11 12 1 12 11 16 1 13 12 13 1 14 12 15 1 15 12 17 1 16 13 14 2 17 13 21 1 18 15 18 1 19 15 19 1 20 15 20 1 21 21 22 1 22 21 26 1 23 22 23 1 24 22 25 1 25 22 27 1 26 23 24 2 27 23 31 1 28 25 28 1 29 25 29 1 30 25 30 1 31 31 32 1 32 31 36 1 33 32 33 1 34 32 35 1 35 32 37 1 36 33 34 2 37 33 41 1 38 35 38 1 39 35 39 1 40 35 40 1 41 41 42 1 42 41 46 1 43 42 43 1 44 42 45 1 45 42 47 1 46 43 44 2 47 43 51 1 48 45 48 1 49 45 49 1 50 45 50 1 51 51 52 1 52 51 56 1 53 52 53 1 54 52 55 1 55 52 57 1 56 53 54 2 57 55 58 1 58 55 59 1 59 55 60 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_source_file i_m_source_file_index i_m_ct_format ::: x_sticks 2 x.1 /tmp/x.pdb 1 2 m_atom[60] { # 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_mmod_res i_m_color s_m_pdb_residue_name s_m_pdb_atom_name i_m_atomic_number i_m_formal_charge s_m_color_rgb i_m_secondary_structure r_m_pdb_occupancy i_pdb_PDB_serial ::: 1 34 1.968000 -1.400000 -2.402000 1 A 38 "ALA " " N " 7 1 2F2FFF 0 1 1 2 3 2.644000 -0.106000 -2.402000 1 A 10 "ALA " " CA " 6 0 1EE11E 0 1 2 3 2 4.144000 -0.280000 -2.402000 1 A 10 "ALA " " C " 6 0 1EE11E 0 1 3 4 15 4.878000 0.354000 -3.168000 1 A 75 "ALA " " O " 8 0 FF5757 0 1 4 5 3 2.136000 0.686000 -1.185000 1 A 10 "ALA " " CB " 6 0 1EE11E 0 1 5 6 44 2.514000 -2.332000 -2.402000 1 A 21 "ALA " " H " 1 0 FFFFFF 0 1 6 7 41 2.376000 0.433000 -3.330000 1 A 21 "ALA " " HA " 1 0 FFFFFF 0 1 7 8 41 1.040000 0.836000 -1.221000 1 A 21 "ALA " "1HB " 1 0 FFFFFF 0 1 8 9 41 2.360000 0.172000 -0.230000 1 A 21 "ALA " "2HB " 1 0 FFFFFF 0 1 9 10 41 2.592000 1.691000 -1.128000 1 A 21 "ALA " "3HB " 1 0 FFFFFF 0 1 10 11 25 4.750000 -1.234000 -1.461000 2 A 38 "ALA " " N " 7 0 2F2FFF 1 1 11 12 3 6.190000 -1.180000 -1.696000 2 A 10 "ALA " " CA " 6 0 1EE11E 1 1 12 13 2 6.515000 -1.493000 -3.137000 2 A 10 "ALA " " C " 6 0 1EE11E 1 1 13 14 15 7.296000 -0.799000 -3.799000 2 A 75 "ALA " " O " 8 0 FF5757 1 1 14 15 3 6.860000 -2.153000 -0.710000 2 A 10 "ALA " " CB " 6 0 1EE11E 1 1 15 16 43 4.234000 -1.850000 -0.740000 2 A 21 "ALA " " H " 1 0 FFFFFF 1 1 16 17 41 6.543000 -0.151000 -1.495000 2 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 17 18 41 6.642000 -1.886000 0.342000 2 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 18 19 41 6.519000 -3.196000 -0.856000 2 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 19 20 41 7.960000 -2.153000 -0.816000 2 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 20 21 25 5.882000 -2.657000 -3.773000 3 A 38 "ALA " " N " 7 0 2F2FFF 1 1 21 22 3 6.384000 -2.698000 -5.144000 3 A 10 "ALA " " CA " 6 0 1EE11E 1 1 22 23 2 6.090000 -1.404000 -5.865000 3 A 10 "ALA " " C " 6 0 1EE11E 1 1 23 24 15 6.950000 -0.813000 -6.529000 3 A 75 "ALA " " O " 8 0 FF5757 1 1 24 25 3 5.758000 -3.921000 -5.834000 3 A 10 "ALA " " CB " 6 0 1EE11E 1 1 25 26 43 5.185000 -3.345000 -3.318000 3 A 21 "ALA " " H " 1 0 FFFFFF 1 1 26 27 41 7.484000 -2.814000 -5.114000 3 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 27 28 41 6.015000 -4.863000 -5.313000 3 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 28 29 41 4.652000 -3.861000 -5.866000 3 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 29 30 41 6.108000 -4.030000 -6.877000 3 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 30 31 25 4.740000 -0.830000 -5.776000 4 A 38 "ALA " " N " 7 0 2F2FFF 1 1 31 32 3 4.765000 0.399000 -6.564000 4 A 10 "ALA " " CA " 6 0 1EE11E 1 1 32 33 2 5.836000 1.339000 -6.065000 4 A 10 "ALA " " C " 6 0 1EE11E 1 1 33 34 15 6.624000 1.903000 -6.833000 4 A 75 "ALA " " O " 8 0 FF5757 1 1 34 35 3 3.357000 1.016000 -6.510000 4 A 10 "ALA " " CB " 6 0 1EE11E 1 1 35 36 43 3.897000 -1.236000 -5.235000 4 A 21 "ALA " " H " 1 0 FFFFFF 1 1 36 37 41 5.015000 0.143000 -7.611000 4 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 37 38 41 2.591000 0.328000 -6.915000 4 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 38 39 41 3.051000 1.268000 -5.476000 4 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 39 40 41 3.292000 1.947000 -7.104000 4 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 40 41 25 5.944000 1.593000 -4.621000 5 A 38 "ALA " " N " 7 0 2F2FFF 1 1 41 42 3 7.053000 2.527000 -4.451000 5 A 10 "ALA " " CA " 6 0 1EE11E 1 1 42 43 2 8.325000 1.970000 -5.045000 5 A 10 "ALA " " C " 6 0 1EE11E 1 1 43 44 15 9.056000 2.644000 -5.780000 5 A 75 "ALA " " O " 8 0 FF5757 1 1 44 45 3 7.181000 2.832000 -2.949000 5 A 10 "ALA " " CB " 6 0 1EE11E 1 1 45 46 43 5.327000 1.172000 -3.841000 5 A 21 "ALA " " H " 1 0 FFFFFF 1 1 46 47 41 6.816000 3.459000 -4.998000 5 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 47 48 41 6.253000 3.275000 -2.540000 5 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 48 49 41 7.394000 1.922000 -2.355000 5 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 49 50 41 7.993000 3.553000 -2.743000 5 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 50 51 25 8.704000 0.582000 -4.741000 6 A 38 "ALA " " N " 7 0 2F2FFF 0 1 51 52 3 9.958000 0.338000 -5.447000 6 A 10 "ALA " " CA " 6 0 1EE11E 0 1 52 53 7 9.804000 0.592000 -6.928000 6 A 10 "ALA " " C " 6 0 1EE11E 0 1 53 54 15 8.734000 0.968000 -7.421000 6 A 75 "ALA " " O " 8 0 FF5757 0 1 54 55 3 10.398000 -1.103000 -5.133000 6 A 10 "ALA " " CB " 6 0 1EE11E 0 1 55 56 43 8.163000 -0.116000 -4.120000 6 A 21 "ALA " " H " 1 0 FFFFFF 0 1 56 57 41 10.720000 1.045000 -5.071000 6 A 21 "ALA " " HA " 1 0 FFFFFF 0 1 57 58 41 10.542000 -1.260000 -4.047000 6 A 21 "ALA " "1HB " 1 0 FFFFFF 0 1 58 59 41 9.652000 -1.849000 -5.470000 6 A 21 "ALA " "2HB " 1 0 FFFFFF 0 1 59 60 41 11.356000 -1.357000 -5.620000 6 A 21 "ALA " "3HB " 1 0 FFFFFF 0 1 60 ::: } m_bond[118] { # First column is bond index # i_m_from i_m_to i_m_order i_m_from_rep i_m_to_rep b_m_thin_bond ::: 1 1 2 1 2 2 0 2 1 6 1 2 2 0 3 2 1 1 2 2 0 4 2 3 1 2 2 0 5 2 5 1 2 2 0 6 2 7 1 2 2 0 7 3 2 1 2 2 0 8 3 4 2 2 2 0 9 3 11 1 2 2 0 10 4 3 2 2 2 0 11 5 2 1 2 2 0 12 5 8 1 2 2 0 13 5 9 1 2 2 0 14 5 10 1 2 2 0 15 6 1 1 2 2 0 16 7 2 1 2 2 0 17 8 5 1 2 2 0 18 9 5 1 2 2 0 19 10 5 1 2 2 0 20 11 3 1 2 2 0 21 11 12 1 2 2 0 22 11 16 1 2 2 0 23 12 11 1 2 2 0 24 12 13 1 2 2 0 25 12 15 1 2 2 0 26 12 17 1 2 2 0 27 13 12 1 2 2 0 28 13 14 2 2 2 0 29 13 21 1 2 2 0 30 14 13 2 2 2 0 31 15 12 1 2 2 0 32 15 18 1 2 2 0 33 15 19 1 2 2 0 34 15 20 1 2 2 0 35 16 11 1 2 2 0 36 17 12 1 2 2 0 37 18 15 1 2 2 0 38 19 15 1 2 2 0 39 20 15 1 2 2 0 40 21 13 1 2 2 0 41 21 22 1 2 2 0 42 21 26 1 2 2 0 43 22 21 1 2 2 0 44 22 23 1 2 2 0 45 22 25 1 2 2 0 46 22 27 1 2 2 0 47 23 22 1 2 2 0 48 23 24 2 2 2 0 49 23 31 1 2 2 0 50 24 23 2 2 2 0 51 25 22 1 2 2 0 52 25 28 1 2 2 0 53 25 29 1 2 2 0 54 25 30 1 2 2 0 55 26 21 1 2 2 0 56 27 22 1 2 2 0 57 28 25 1 2 2 0 58 29 25 1 2 2 0 59 30 25 1 2 2 0 60 31 23 1 2 2 0 61 31 32 1 2 2 0 62 31 36 1 2 2 0 63 32 31 1 2 2 0 64 32 33 1 2 2 0 65 32 35 1 2 2 0 66 32 37 1 2 2 0 67 33 32 1 2 2 0 68 33 34 2 2 2 0 69 33 41 1 2 2 0 70 34 33 2 2 2 0 71 35 32 1 2 2 0 72 35 38 1 2 2 0 73 35 39 1 2 2 0 74 35 40 1 2 2 0 75 36 31 1 2 2 0 76 37 32 1 2 2 0 77 38 35 1 2 2 0 78 39 35 1 2 2 0 79 40 35 1 2 2 0 80 41 33 1 2 2 0 81 41 42 1 2 2 0 82 41 46 1 2 2 0 83 42 41 1 2 2 0 84 42 43 1 2 2 0 85 42 45 1 2 2 0 86 42 47 1 2 2 0 87 43 42 1 2 2 0 88 43 44 2 2 2 0 89 43 51 1 2 2 0 90 44 43 2 2 2 0 91 45 42 1 2 2 0 92 45 48 1 2 2 0 93 45 49 1 2 2 0 94 45 50 1 2 2 0 95 46 41 1 2 2 0 96 47 42 1 2 2 0 97 48 45 1 2 2 0 98 49 45 1 2 2 0 99 50 45 1 2 2 0 100 51 43 1 2 2 0 101 51 52 1 2 2 0 102 51 56 1 2 2 0 103 52 51 1 2 2 0 104 52 53 1 2 2 0 105 52 55 1 2 2 0 106 52 57 1 2 2 0 107 53 52 1 2 2 0 108 53 54 2 2 2 0 109 54 53 2 2 2 0 110 55 52 1 2 2 0 111 55 58 1 2 2 0 112 55 59 1 2 2 0 113 55 60 1 2 2 0 114 56 51 1 2 2 0 115 57 52 1 2 2 0 116 58 55 1 2 2 0 117 59 55 1 2 2 0 118 60 55 1 2 2 0 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_source_file i_m_source_file_index i_m_ct_format ::: x_cartoon 3 x.1 /tmp/x.pdb 1 2 m_atom[60] { # 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_mmod_res i_m_color s_m_pdb_residue_name s_m_pdb_atom_name i_m_atomic_number i_m_formal_charge i_m_visibility s_m_color_rgb i_m_secondary_structure i_m_ribbon_style i_m_ribbon_color s_m_ribbon_color_rgb r_m_pdb_occupancy i_pdb_PDB_serial ::: 1 34 1.968000 -1.400000 -2.402000 1 A 38 "ALA " " N " 7 1 0 2F2FFF 0 1 1 <> 1 1 2 3 2.644000 -0.106000 -2.402000 1 A 10 "ALA " " CA " 6 0 0 1EE11E 0 1 -2 A0A0A0 1 2 3 2 4.144000 -0.280000 -2.402000 1 A 10 "ALA " " C " 6 0 0 1EE11E 0 1 1 <> 1 3 4 15 4.878000 0.354000 -3.168000 1 A 75 "ALA " " O " 8 0 0 FF5757 0 1 1 <> 1 4 5 3 2.136000 0.686000 -1.185000 1 A 10 "ALA " " CB " 6 0 0 1EE11E 0 1 1 <> 1 5 6 44 2.514000 -2.332000 -2.402000 1 A 21 "ALA " " H " 1 0 0 FFFFFF 0 1 1 <> 1 6 7 41 2.376000 0.433000 -3.330000 1 A 21 "ALA " " HA " 1 0 0 FFFFFF 0 1 1 <> 1 7 8 41 1.040000 0.836000 -1.221000 1 A 21 "ALA " "1HB " 1 0 0 FFFFFF 0 1 1 <> 1 8 9 41 2.360000 0.172000 -0.230000 1 A 21 "ALA " "2HB " 1 0 0 FFFFFF 0 1 1 <> 1 9 10 41 2.592000 1.691000 -1.128000 1 A 21 "ALA " "3HB " 1 0 0 FFFFFF 0 1 1 <> 1 10 11 25 4.750000 -1.234000 -1.461000 2 A 38 "ALA " " N " 7 0 0 2F2FFF 1 1 1 <> 1 11 12 3 6.190000 -1.180000 -1.696000 2 A 10 "ALA " " CA " 6 0 0 1EE11E 1 1 -16 E11E1E 1 12 13 2 6.515000 -1.493000 -3.137000 2 A 10 "ALA " " C " 6 0 0 1EE11E 1 1 1 <> 1 13 14 15 7.296000 -0.799000 -3.799000 2 A 75 "ALA " " O " 8 0 0 FF5757 1 1 1 <> 1 14 15 3 6.860000 -2.153000 -0.710000 2 A 10 "ALA " " CB " 6 0 0 1EE11E 1 1 1 <> 1 15 16 43 4.234000 -1.850000 -0.740000 2 A 21 "ALA " " H " 1 0 0 FFFFFF 1 1 1 <> 1 16 17 41 6.543000 -0.151000 -1.495000 2 A 21 "ALA " " HA " 1 0 0 FFFFFF 1 1 1 <> 1 17 18 41 6.642000 -1.886000 0.342000 2 A 21 "ALA " "1HB " 1 0 0 FFFFFF 1 1 1 <> 1 18 19 41 6.519000 -3.196000 -0.856000 2 A 21 "ALA " "2HB " 1 0 0 FFFFFF 1 1 1 <> 1 19 20 41 7.960000 -2.153000 -0.816000 2 A 21 "ALA " "3HB " 1 0 0 FFFFFF 1 1 1 <> 1 20 21 25 5.882000 -2.657000 -3.773000 3 A 38 "ALA " " N " 7 0 0 2F2FFF 1 1 1 <> 1 21 22 3 6.384000 -2.698000 -5.144000 3 A 10 "ALA " " CA " 6 0 0 1EE11E 1 1 -16 E11E1E 1 22 23 2 6.090000 -1.404000 -5.865000 3 A 10 "ALA " " C " 6 0 0 1EE11E 1 1 1 <> 1 23 24 15 6.950000 -0.813000 -6.529000 3 A 75 "ALA " " O " 8 0 0 FF5757 1 1 1 <> 1 24 25 3 5.758000 -3.921000 -5.834000 3 A 10 "ALA " " CB " 6 0 0 1EE11E 1 1 1 <> 1 25 26 43 5.185000 -3.345000 -3.318000 3 A 21 "ALA " " H " 1 0 0 FFFFFF 1 1 1 <> 1 26 27 41 7.484000 -2.814000 -5.114000 3 A 21 "ALA " " HA " 1 0 0 FFFFFF 1 1 1 <> 1 27 28 41 6.015000 -4.863000 -5.313000 3 A 21 "ALA " "1HB " 1 0 0 FFFFFF 1 1 1 <> 1 28 29 41 4.652000 -3.861000 -5.866000 3 A 21 "ALA " "2HB " 1 0 0 FFFFFF 1 1 1 <> 1 29 30 41 6.108000 -4.030000 -6.877000 3 A 21 "ALA " "3HB " 1 0 0 FFFFFF 1 1 1 <> 1 30 31 25 4.740000 -0.830000 -5.776000 4 A 38 "ALA " " N " 7 0 0 2F2FFF 1 1 1 <> 1 31 32 3 4.765000 0.399000 -6.564000 4 A 10 "ALA " " CA " 6 0 0 1EE11E 1 1 -16 E11E1E 1 32 33 2 5.836000 1.339000 -6.065000 4 A 10 "ALA " " C " 6 0 0 1EE11E 1 1 1 <> 1 33 34 15 6.624000 1.903000 -6.833000 4 A 75 "ALA " " O " 8 0 0 FF5757 1 1 1 <> 1 34 35 3 3.357000 1.016000 -6.510000 4 A 10 "ALA " " CB " 6 0 0 1EE11E 1 1 1 <> 1 35 36 43 3.897000 -1.236000 -5.235000 4 A 21 "ALA " " H " 1 0 0 FFFFFF 1 1 1 <> 1 36 37 41 5.015000 0.143000 -7.611000 4 A 21 "ALA " " HA " 1 0 0 FFFFFF 1 1 1 <> 1 37 38 41 2.591000 0.328000 -6.915000 4 A 21 "ALA " "1HB " 1 0 0 FFFFFF 1 1 1 <> 1 38 39 41 3.051000 1.268000 -5.476000 4 A 21 "ALA " "2HB " 1 0 0 FFFFFF 1 1 1 <> 1 39 40 41 3.292000 1.947000 -7.104000 4 A 21 "ALA " "3HB " 1 0 0 FFFFFF 1 1 1 <> 1 40 41 25 5.944000 1.593000 -4.621000 5 A 38 "ALA " " N " 7 0 0 2F2FFF 1 1 1 <> 1 41 42 3 7.053000 2.527000 -4.451000 5 A 10 "ALA " " CA " 6 0 0 1EE11E 1 1 -16 E11E1E 1 42 43 2 8.325000 1.970000 -5.045000 5 A 10 "ALA " " C " 6 0 0 1EE11E 1 1 1 <> 1 43 44 15 9.056000 2.644000 -5.780000 5 A 75 "ALA " " O " 8 0 0 FF5757 1 1 1 <> 1 44 45 3 7.181000 2.832000 -2.949000 5 A 10 "ALA " " CB " 6 0 0 1EE11E 1 1 1 <> 1 45 46 43 5.327000 1.172000 -3.841000 5 A 21 "ALA " " H " 1 0 0 FFFFFF 1 1 1 <> 1 46 47 41 6.816000 3.459000 -4.998000 5 A 21 "ALA " " HA " 1 0 0 FFFFFF 1 1 1 <> 1 47 48 41 6.253000 3.275000 -2.540000 5 A 21 "ALA " "1HB " 1 0 0 FFFFFF 1 1 1 <> 1 48 49 41 7.394000 1.922000 -2.355000 5 A 21 "ALA " "2HB " 1 0 0 FFFFFF 1 1 1 <> 1 49 50 41 7.993000 3.553000 -2.743000 5 A 21 "ALA " "3HB " 1 0 0 FFFFFF 1 1 1 <> 1 50 51 25 8.704000 0.582000 -4.741000 6 A 38 "ALA " " N " 7 0 0 2F2FFF 0 1 1 <> 1 51 52 3 9.958000 0.338000 -5.447000 6 A 10 "ALA " " CA " 6 0 0 1EE11E 0 1 -2 A0A0A0 1 52 53 7 9.804000 0.592000 -6.928000 6 A 10 "ALA " " C " 6 0 0 1EE11E 0 1 1 <> 1 53 54 15 8.734000 0.968000 -7.421000 6 A 75 "ALA " " O " 8 0 0 FF5757 0 1 1 <> 1 54 55 3 10.398000 -1.103000 -5.133000 6 A 10 "ALA " " CB " 6 0 0 1EE11E 0 1 1 <> 1 55 56 43 8.163000 -0.116000 -4.120000 6 A 21 "ALA " " H " 1 0 0 FFFFFF 0 1 1 <> 1 56 57 41 10.720000 1.045000 -5.071000 6 A 21 "ALA " " HA " 1 0 0 FFFFFF 0 1 1 <> 1 57 58 41 10.542000 -1.260000 -4.047000 6 A 21 "ALA " "1HB " 1 0 0 FFFFFF 0 1 1 <> 1 58 59 41 9.652000 -1.849000 -5.470000 6 A 21 "ALA " "2HB " 1 0 0 FFFFFF 0 1 1 <> 1 59 60 41 11.356000 -1.357000 -5.620000 6 A 21 "ALA " "3HB " 1 0 0 FFFFFF 0 1 1 <> 1 60 ::: } m_bond[59] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 2 3 1 4 2 5 1 5 2 7 1 6 3 4 2 7 3 11 1 8 5 8 1 9 5 9 1 10 5 10 1 11 11 12 1 12 11 16 1 13 12 13 1 14 12 15 1 15 12 17 1 16 13 14 2 17 13 21 1 18 15 18 1 19 15 19 1 20 15 20 1 21 21 22 1 22 21 26 1 23 22 23 1 24 22 25 1 25 22 27 1 26 23 24 2 27 23 31 1 28 25 28 1 29 25 29 1 30 25 30 1 31 31 32 1 32 31 36 1 33 32 33 1 34 32 35 1 35 32 37 1 36 33 34 2 37 33 41 1 38 35 38 1 39 35 39 1 40 35 40 1 41 41 42 1 42 41 46 1 43 42 43 1 44 42 45 1 45 42 47 1 46 43 44 2 47 43 51 1 48 45 48 1 49 45 49 1 50 45 50 1 51 51 52 1 52 51 56 1 53 52 53 1 54 52 55 1 55 52 57 1 56 53 54 2 57 55 58 1 58 55 59 1 59 55 60 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_source_file i_m_source_file_index i_m_ct_format ::: x_cart_lines 4 x.1 /tmp/x.pdb 1 2 m_atom[60] { # 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_mmod_res i_m_color s_m_pdb_residue_name s_m_pdb_atom_name i_m_atomic_number i_m_formal_charge s_m_color_rgb i_m_secondary_structure i_m_ribbon_style i_m_ribbon_color s_m_ribbon_color_rgb r_m_pdb_occupancy i_pdb_PDB_serial ::: 1 34 1.968000 -1.400000 -2.402000 1 A 38 "ALA " " N " 7 1 2F2FFF 0 1 1 <> 1 1 2 3 2.644000 -0.106000 -2.402000 1 A 10 "ALA " " CA " 6 0 1EE11E 0 1 -2 A0A0A0 1 2 3 2 4.144000 -0.280000 -2.402000 1 A 10 "ALA " " C " 6 0 1EE11E 0 1 1 <> 1 3 4 15 4.878000 0.354000 -3.168000 1 A 75 "ALA " " O " 8 0 FF5757 0 1 1 <> 1 4 5 3 2.136000 0.686000 -1.185000 1 A 10 "ALA " " CB " 6 0 1EE11E 0 1 1 <> 1 5 6 44 2.514000 -2.332000 -2.402000 1 A 21 "ALA " " H " 1 0 FFFFFF 0 1 1 <> 1 6 7 41 2.376000 0.433000 -3.330000 1 A 21 "ALA " " HA " 1 0 FFFFFF 0 1 1 <> 1 7 8 41 1.040000 0.836000 -1.221000 1 A 21 "ALA " "1HB " 1 0 FFFFFF 0 1 1 <> 1 8 9 41 2.360000 0.172000 -0.230000 1 A 21 "ALA " "2HB " 1 0 FFFFFF 0 1 1 <> 1 9 10 41 2.592000 1.691000 -1.128000 1 A 21 "ALA " "3HB " 1 0 FFFFFF 0 1 1 <> 1 10 11 25 4.750000 -1.234000 -1.461000 2 A 38 "ALA " " N " 7 0 2F2FFF 1 1 1 <> 1 11 12 3 6.190000 -1.180000 -1.696000 2 A 10 "ALA " " CA " 6 0 1EE11E 1 1 -16 E11E1E 1 12 13 2 6.515000 -1.493000 -3.137000 2 A 10 "ALA " " C " 6 0 1EE11E 1 1 1 <> 1 13 14 15 7.296000 -0.799000 -3.799000 2 A 75 "ALA " " O " 8 0 FF5757 1 1 1 <> 1 14 15 3 6.860000 -2.153000 -0.710000 2 A 10 "ALA " " CB " 6 0 1EE11E 1 1 1 <> 1 15 16 43 4.234000 -1.850000 -0.740000 2 A 21 "ALA " " H " 1 0 FFFFFF 1 1 1 <> 1 16 17 41 6.543000 -0.151000 -1.495000 2 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 1 <> 1 17 18 41 6.642000 -1.886000 0.342000 2 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 1 <> 1 18 19 41 6.519000 -3.196000 -0.856000 2 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 1 <> 1 19 20 41 7.960000 -2.153000 -0.816000 2 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 1 <> 1 20 21 25 5.882000 -2.657000 -3.773000 3 A 38 "ALA " " N " 7 0 2F2FFF 1 1 1 <> 1 21 22 3 6.384000 -2.698000 -5.144000 3 A 10 "ALA " " CA " 6 0 1EE11E 1 1 -16 E11E1E 1 22 23 2 6.090000 -1.404000 -5.865000 3 A 10 "ALA " " C " 6 0 1EE11E 1 1 1 <> 1 23 24 15 6.950000 -0.813000 -6.529000 3 A 75 "ALA " " O " 8 0 FF5757 1 1 1 <> 1 24 25 3 5.758000 -3.921000 -5.834000 3 A 10 "ALA " " CB " 6 0 1EE11E 1 1 1 <> 1 25 26 43 5.185000 -3.345000 -3.318000 3 A 21 "ALA " " H " 1 0 FFFFFF 1 1 1 <> 1 26 27 41 7.484000 -2.814000 -5.114000 3 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 1 <> 1 27 28 41 6.015000 -4.863000 -5.313000 3 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 1 <> 1 28 29 41 4.652000 -3.861000 -5.866000 3 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 1 <> 1 29 30 41 6.108000 -4.030000 -6.877000 3 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 1 <> 1 30 31 25 4.740000 -0.830000 -5.776000 4 A 38 "ALA " " N " 7 0 2F2FFF 1 1 1 <> 1 31 32 3 4.765000 0.399000 -6.564000 4 A 10 "ALA " " CA " 6 0 1EE11E 1 1 -16 E11E1E 1 32 33 2 5.836000 1.339000 -6.065000 4 A 10 "ALA " " C " 6 0 1EE11E 1 1 1 <> 1 33 34 15 6.624000 1.903000 -6.833000 4 A 75 "ALA " " O " 8 0 FF5757 1 1 1 <> 1 34 35 3 3.357000 1.016000 -6.510000 4 A 10 "ALA " " CB " 6 0 1EE11E 1 1 1 <> 1 35 36 43 3.897000 -1.236000 -5.235000 4 A 21 "ALA " " H " 1 0 FFFFFF 1 1 1 <> 1 36 37 41 5.015000 0.143000 -7.611000 4 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 1 <> 1 37 38 41 2.591000 0.328000 -6.915000 4 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 1 <> 1 38 39 41 3.051000 1.268000 -5.476000 4 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 1 <> 1 39 40 41 3.292000 1.947000 -7.104000 4 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 1 <> 1 40 41 25 5.944000 1.593000 -4.621000 5 A 38 "ALA " " N " 7 0 2F2FFF 1 1 1 <> 1 41 42 3 7.053000 2.527000 -4.451000 5 A 10 "ALA " " CA " 6 0 1EE11E 1 1 -16 E11E1E 1 42 43 2 8.325000 1.970000 -5.045000 5 A 10 "ALA " " C " 6 0 1EE11E 1 1 1 <> 1 43 44 15 9.056000 2.644000 -5.780000 5 A 75 "ALA " " O " 8 0 FF5757 1 1 1 <> 1 44 45 3 7.181000 2.832000 -2.949000 5 A 10 "ALA " " CB " 6 0 1EE11E 1 1 1 <> 1 45 46 43 5.327000 1.172000 -3.841000 5 A 21 "ALA " " H " 1 0 FFFFFF 1 1 1 <> 1 46 47 41 6.816000 3.459000 -4.998000 5 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 1 <> 1 47 48 41 6.253000 3.275000 -2.540000 5 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 1 <> 1 48 49 41 7.394000 1.922000 -2.355000 5 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 1 <> 1 49 50 41 7.993000 3.553000 -2.743000 5 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 1 <> 1 50 51 25 8.704000 0.582000 -4.741000 6 A 38 "ALA " " N " 7 0 2F2FFF 0 1 1 <> 1 51 52 3 9.958000 0.338000 -5.447000 6 A 10 "ALA " " CA " 6 0 1EE11E 0 1 -2 A0A0A0 1 52 53 7 9.804000 0.592000 -6.928000 6 A 10 "ALA " " C " 6 0 1EE11E 0 1 1 <> 1 53 54 15 8.734000 0.968000 -7.421000 6 A 75 "ALA " " O " 8 0 FF5757 0 1 1 <> 1 54 55 3 10.398000 -1.103000 -5.133000 6 A 10 "ALA " " CB " 6 0 1EE11E 0 1 1 <> 1 55 56 43 8.163000 -0.116000 -4.120000 6 A 21 "ALA " " H " 1 0 FFFFFF 0 1 1 <> 1 56 57 41 10.720000 1.045000 -5.071000 6 A 21 "ALA " " HA " 1 0 FFFFFF 0 1 1 <> 1 57 58 41 10.542000 -1.260000 -4.047000 6 A 21 "ALA " "1HB " 1 0 FFFFFF 0 1 1 <> 1 58 59 41 9.652000 -1.849000 -5.470000 6 A 21 "ALA " "2HB " 1 0 FFFFFF 0 1 1 <> 1 59 60 41 11.356000 -1.357000 -5.620000 6 A 21 "ALA " "3HB " 1 0 FFFFFF 0 1 1 <> 1 60 ::: } m_bond[59] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 2 3 1 4 2 5 1 5 2 7 1 6 3 4 2 7 3 11 1 8 5 8 1 9 5 9 1 10 5 10 1 11 11 12 1 12 11 16 1 13 12 13 1 14 12 15 1 15 12 17 1 16 13 14 2 17 13 21 1 18 15 18 1 19 15 19 1 20 15 20 1 21 21 22 1 22 21 26 1 23 22 23 1 24 22 25 1 25 22 27 1 26 23 24 2 27 23 31 1 28 25 28 1 29 25 29 1 30 25 30 1 31 31 32 1 32 31 36 1 33 32 33 1 34 32 35 1 35 32 37 1 36 33 34 2 37 33 41 1 38 35 38 1 39 35 39 1 40 35 40 1 41 41 42 1 42 41 46 1 43 42 43 1 44 42 45 1 45 42 47 1 46 43 44 2 47 43 51 1 48 45 48 1 49 45 49 1 50 45 50 1 51 51 52 1 52 51 56 1 53 52 53 1 54 52 55 1 55 52 57 1 56 53 54 2 57 55 58 1 58 55 59 1 59 55 60 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_source_file i_m_source_file_index i_m_ct_format ::: x_spheres 5 x.1 /tmp/x.pdb 1 2 m_atom[60] { # 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_mmod_res i_m_color s_m_pdb_residue_name s_m_pdb_atom_name i_m_atomic_number i_m_formal_charge i_m_representation s_m_color_rgb i_m_secondary_structure r_m_pdb_occupancy i_pdb_PDB_serial ::: 1 34 1.968000 -1.400000 -2.402000 1 A 38 "ALA " " N " 7 1 2 2F2FFF 0 1 1 2 3 2.644000 -0.106000 -2.402000 1 A 10 "ALA " " CA " 6 0 2 1EE11E 0 1 2 3 2 4.144000 -0.280000 -2.402000 1 A 10 "ALA " " C " 6 0 2 1EE11E 0 1 3 4 15 4.878000 0.354000 -3.168000 1 A 75 "ALA " " O " 8 0 2 FF5757 0 1 4 5 3 2.136000 0.686000 -1.185000 1 A 10 "ALA " " CB " 6 0 2 1EE11E 0 1 5 6 44 2.514000 -2.332000 -2.402000 1 A 21 "ALA " " H " 1 0 2 FFFFFF 0 1 6 7 41 2.376000 0.433000 -3.330000 1 A 21 "ALA " " HA " 1 0 2 FFFFFF 0 1 7 8 41 1.040000 0.836000 -1.221000 1 A 21 "ALA " "1HB " 1 0 2 FFFFFF 0 1 8 9 41 2.360000 0.172000 -0.230000 1 A 21 "ALA " "2HB " 1 0 2 FFFFFF 0 1 9 10 41 2.592000 1.691000 -1.128000 1 A 21 "ALA " "3HB " 1 0 2 FFFFFF 0 1 10 11 25 4.750000 -1.234000 -1.461000 2 A 38 "ALA " " N " 7 0 2 2F2FFF 1 1 11 12 3 6.190000 -1.180000 -1.696000 2 A 10 "ALA " " CA " 6 0 2 1EE11E 1 1 12 13 2 6.515000 -1.493000 -3.137000 2 A 10 "ALA " " C " 6 0 2 1EE11E 1 1 13 14 15 7.296000 -0.799000 -3.799000 2 A 75 "ALA " " O " 8 0 2 FF5757 1 1 14 15 3 6.860000 -2.153000 -0.710000 2 A 10 "ALA " " CB " 6 0 2 1EE11E 1 1 15 16 43 4.234000 -1.850000 -0.740000 2 A 21 "ALA " " H " 1 0 2 FFFFFF 1 1 16 17 41 6.543000 -0.151000 -1.495000 2 A 21 "ALA " " HA " 1 0 2 FFFFFF 1 1 17 18 41 6.642000 -1.886000 0.342000 2 A 21 "ALA " "1HB " 1 0 2 FFFFFF 1 1 18 19 41 6.519000 -3.196000 -0.856000 2 A 21 "ALA " "2HB " 1 0 2 FFFFFF 1 1 19 20 41 7.960000 -2.153000 -0.816000 2 A 21 "ALA " "3HB " 1 0 2 FFFFFF 1 1 20 21 25 5.882000 -2.657000 -3.773000 3 A 38 "ALA " " N " 7 0 2 2F2FFF 1 1 21 22 3 6.384000 -2.698000 -5.144000 3 A 10 "ALA " " CA " 6 0 2 1EE11E 1 1 22 23 2 6.090000 -1.404000 -5.865000 3 A 10 "ALA " " C " 6 0 2 1EE11E 1 1 23 24 15 6.950000 -0.813000 -6.529000 3 A 75 "ALA " " O " 8 0 2 FF5757 1 1 24 25 3 5.758000 -3.921000 -5.834000 3 A 10 "ALA " " CB " 6 0 2 1EE11E 1 1 25 26 43 5.185000 -3.345000 -3.318000 3 A 21 "ALA " " H " 1 0 2 FFFFFF 1 1 26 27 41 7.484000 -2.814000 -5.114000 3 A 21 "ALA " " HA " 1 0 2 FFFFFF 1 1 27 28 41 6.015000 -4.863000 -5.313000 3 A 21 "ALA " "1HB " 1 0 2 FFFFFF 1 1 28 29 41 4.652000 -3.861000 -5.866000 3 A 21 "ALA " "2HB " 1 0 2 FFFFFF 1 1 29 30 41 6.108000 -4.030000 -6.877000 3 A 21 "ALA " "3HB " 1 0 2 FFFFFF 1 1 30 31 25 4.740000 -0.830000 -5.776000 4 A 38 "ALA " " N " 7 0 2 2F2FFF 1 1 31 32 3 4.765000 0.399000 -6.564000 4 A 10 "ALA " " CA " 6 0 2 1EE11E 1 1 32 33 2 5.836000 1.339000 -6.065000 4 A 10 "ALA " " C " 6 0 2 1EE11E 1 1 33 34 15 6.624000 1.903000 -6.833000 4 A 75 "ALA " " O " 8 0 2 FF5757 1 1 34 35 3 3.357000 1.016000 -6.510000 4 A 10 "ALA " " CB " 6 0 2 1EE11E 1 1 35 36 43 3.897000 -1.236000 -5.235000 4 A 21 "ALA " " H " 1 0 2 FFFFFF 1 1 36 37 41 5.015000 0.143000 -7.611000 4 A 21 "ALA " " HA " 1 0 2 FFFFFF 1 1 37 38 41 2.591000 0.328000 -6.915000 4 A 21 "ALA " "1HB " 1 0 2 FFFFFF 1 1 38 39 41 3.051000 1.268000 -5.476000 4 A 21 "ALA " "2HB " 1 0 2 FFFFFF 1 1 39 40 41 3.292000 1.947000 -7.104000 4 A 21 "ALA " "3HB " 1 0 2 FFFFFF 1 1 40 41 25 5.944000 1.593000 -4.621000 5 A 38 "ALA " " N " 7 0 2 2F2FFF 1 1 41 42 3 7.053000 2.527000 -4.451000 5 A 10 "ALA " " CA " 6 0 2 1EE11E 1 1 42 43 2 8.325000 1.970000 -5.045000 5 A 10 "ALA " " C " 6 0 2 1EE11E 1 1 43 44 15 9.056000 2.644000 -5.780000 5 A 75 "ALA " " O " 8 0 2 FF5757 1 1 44 45 3 7.181000 2.832000 -2.949000 5 A 10 "ALA " " CB " 6 0 2 1EE11E 1 1 45 46 43 5.327000 1.172000 -3.841000 5 A 21 "ALA " " H " 1 0 2 FFFFFF 1 1 46 47 41 6.816000 3.459000 -4.998000 5 A 21 "ALA " " HA " 1 0 2 FFFFFF 1 1 47 48 41 6.253000 3.275000 -2.540000 5 A 21 "ALA " "1HB " 1 0 2 FFFFFF 1 1 48 49 41 7.394000 1.922000 -2.355000 5 A 21 "ALA " "2HB " 1 0 2 FFFFFF 1 1 49 50 41 7.993000 3.553000 -2.743000 5 A 21 "ALA " "3HB " 1 0 2 FFFFFF 1 1 50 51 25 8.704000 0.582000 -4.741000 6 A 38 "ALA " " N " 7 0 2 2F2FFF 0 1 51 52 3 9.958000 0.338000 -5.447000 6 A 10 "ALA " " CA " 6 0 2 1EE11E 0 1 52 53 7 9.804000 0.592000 -6.928000 6 A 10 "ALA " " C " 6 0 2 1EE11E 0 1 53 54 15 8.734000 0.968000 -7.421000 6 A 75 "ALA " " O " 8 0 2 FF5757 0 1 54 55 3 10.398000 -1.103000 -5.133000 6 A 10 "ALA " " CB " 6 0 2 1EE11E 0 1 55 56 43 8.163000 -0.116000 -4.120000 6 A 21 "ALA " " H " 1 0 2 FFFFFF 0 1 56 57 41 10.720000 1.045000 -5.071000 6 A 21 "ALA " " HA " 1 0 2 FFFFFF 0 1 57 58 41 10.542000 -1.260000 -4.047000 6 A 21 "ALA " "1HB " 1 0 2 FFFFFF 0 1 58 59 41 9.652000 -1.849000 -5.470000 6 A 21 "ALA " "2HB " 1 0 2 FFFFFF 0 1 59 60 41 11.356000 -1.357000 -5.620000 6 A 21 "ALA " "3HB " 1 0 2 FFFFFF 0 1 60 ::: } m_bond[59] { # 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 0 0 2 1 6 1 0 0 3 2 3 1 0 0 4 2 5 1 0 0 5 2 7 1 0 0 6 3 4 2 0 0 7 3 11 1 0 0 8 5 8 1 0 0 9 5 9 1 0 0 10 5 10 1 0 0 11 11 12 1 0 0 12 11 16 1 0 0 13 12 13 1 0 0 14 12 15 1 0 0 15 12 17 1 0 0 16 13 14 2 0 0 17 13 21 1 0 0 18 15 18 1 0 0 19 15 19 1 0 0 20 15 20 1 0 0 21 21 22 1 0 0 22 21 26 1 0 0 23 22 23 1 0 0 24 22 25 1 0 0 25 22 27 1 0 0 26 23 24 2 0 0 27 23 31 1 0 0 28 25 28 1 0 0 29 25 29 1 0 0 30 25 30 1 0 0 31 31 32 1 0 0 32 31 36 1 0 0 33 32 33 1 0 0 34 32 35 1 0 0 35 32 37 1 0 0 36 33 34 2 0 0 37 33 41 1 0 0 38 35 38 1 0 0 39 35 39 1 0 0 40 35 40 1 0 0 41 41 42 1 0 0 42 41 46 1 0 0 43 42 43 1 0 0 44 42 45 1 0 0 45 42 47 1 0 0 46 43 44 2 0 0 47 43 51 1 0 0 48 45 48 1 0 0 49 45 49 1 0 0 50 45 50 1 0 0 51 51 52 1 0 0 52 51 56 1 0 0 53 52 53 1 0 0 54 52 55 1 0 0 55 52 57 1 0 0 56 53 54 2 0 0 57 55 58 1 0 0 58 55 59 1 0 0 59 55 60 1 0 0 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_source_file i_m_source_file_index i_m_ct_format ::: x_thinsticks 6 x.1 /tmp/x.pdb 1 2 m_atom[60] { # 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_mmod_res i_m_color s_m_pdb_residue_name s_m_pdb_atom_name i_m_atomic_number i_m_formal_charge s_m_color_rgb i_m_secondary_structure r_m_pdb_occupancy i_pdb_PDB_serial ::: 1 34 1.968000 -1.400000 -2.402000 1 A 38 "ALA " " N " 7 1 2F2FFF 0 1 1 2 3 2.644000 -0.106000 -2.402000 1 A 10 "ALA " " CA " 6 0 1EE11E 0 1 2 3 2 4.144000 -0.280000 -2.402000 1 A 10 "ALA " " C " 6 0 1EE11E 0 1 3 4 15 4.878000 0.354000 -3.168000 1 A 75 "ALA " " O " 8 0 FF5757 0 1 4 5 3 2.136000 0.686000 -1.185000 1 A 10 "ALA " " CB " 6 0 1EE11E 0 1 5 6 44 2.514000 -2.332000 -2.402000 1 A 21 "ALA " " H " 1 0 FFFFFF 0 1 6 7 41 2.376000 0.433000 -3.330000 1 A 21 "ALA " " HA " 1 0 FFFFFF 0 1 7 8 41 1.040000 0.836000 -1.221000 1 A 21 "ALA " "1HB " 1 0 FFFFFF 0 1 8 9 41 2.360000 0.172000 -0.230000 1 A 21 "ALA " "2HB " 1 0 FFFFFF 0 1 9 10 41 2.592000 1.691000 -1.128000 1 A 21 "ALA " "3HB " 1 0 FFFFFF 0 1 10 11 25 4.750000 -1.234000 -1.461000 2 A 38 "ALA " " N " 7 0 2F2FFF 1 1 11 12 3 6.190000 -1.180000 -1.696000 2 A 10 "ALA " " CA " 6 0 1EE11E 1 1 12 13 2 6.515000 -1.493000 -3.137000 2 A 10 "ALA " " C " 6 0 1EE11E 1 1 13 14 15 7.296000 -0.799000 -3.799000 2 A 75 "ALA " " O " 8 0 FF5757 1 1 14 15 3 6.860000 -2.153000 -0.710000 2 A 10 "ALA " " CB " 6 0 1EE11E 1 1 15 16 43 4.234000 -1.850000 -0.740000 2 A 21 "ALA " " H " 1 0 FFFFFF 1 1 16 17 41 6.543000 -0.151000 -1.495000 2 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 17 18 41 6.642000 -1.886000 0.342000 2 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 18 19 41 6.519000 -3.196000 -0.856000 2 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 19 20 41 7.960000 -2.153000 -0.816000 2 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 20 21 25 5.882000 -2.657000 -3.773000 3 A 38 "ALA " " N " 7 0 2F2FFF 1 1 21 22 3 6.384000 -2.698000 -5.144000 3 A 10 "ALA " " CA " 6 0 1EE11E 1 1 22 23 2 6.090000 -1.404000 -5.865000 3 A 10 "ALA " " C " 6 0 1EE11E 1 1 23 24 15 6.950000 -0.813000 -6.529000 3 A 75 "ALA " " O " 8 0 FF5757 1 1 24 25 3 5.758000 -3.921000 -5.834000 3 A 10 "ALA " " CB " 6 0 1EE11E 1 1 25 26 43 5.185000 -3.345000 -3.318000 3 A 21 "ALA " " H " 1 0 FFFFFF 1 1 26 27 41 7.484000 -2.814000 -5.114000 3 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 27 28 41 6.015000 -4.863000 -5.313000 3 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 28 29 41 4.652000 -3.861000 -5.866000 3 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 29 30 41 6.108000 -4.030000 -6.877000 3 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 30 31 25 4.740000 -0.830000 -5.776000 4 A 38 "ALA " " N " 7 0 2F2FFF 1 1 31 32 3 4.765000 0.399000 -6.564000 4 A 10 "ALA " " CA " 6 0 1EE11E 1 1 32 33 2 5.836000 1.339000 -6.065000 4 A 10 "ALA " " C " 6 0 1EE11E 1 1 33 34 15 6.624000 1.903000 -6.833000 4 A 75 "ALA " " O " 8 0 FF5757 1 1 34 35 3 3.357000 1.016000 -6.510000 4 A 10 "ALA " " CB " 6 0 1EE11E 1 1 35 36 43 3.897000 -1.236000 -5.235000 4 A 21 "ALA " " H " 1 0 FFFFFF 1 1 36 37 41 5.015000 0.143000 -7.611000 4 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 37 38 41 2.591000 0.328000 -6.915000 4 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 38 39 41 3.051000 1.268000 -5.476000 4 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 39 40 41 3.292000 1.947000 -7.104000 4 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 40 41 25 5.944000 1.593000 -4.621000 5 A 38 "ALA " " N " 7 0 2F2FFF 1 1 41 42 3 7.053000 2.527000 -4.451000 5 A 10 "ALA " " CA " 6 0 1EE11E 1 1 42 43 2 8.325000 1.970000 -5.045000 5 A 10 "ALA " " C " 6 0 1EE11E 1 1 43 44 15 9.056000 2.644000 -5.780000 5 A 75 "ALA " " O " 8 0 FF5757 1 1 44 45 3 7.181000 2.832000 -2.949000 5 A 10 "ALA " " CB " 6 0 1EE11E 1 1 45 46 43 5.327000 1.172000 -3.841000 5 A 21 "ALA " " H " 1 0 FFFFFF 1 1 46 47 41 6.816000 3.459000 -4.998000 5 A 21 "ALA " " HA " 1 0 FFFFFF 1 1 47 48 41 6.253000 3.275000 -2.540000 5 A 21 "ALA " "1HB " 1 0 FFFFFF 1 1 48 49 41 7.394000 1.922000 -2.355000 5 A 21 "ALA " "2HB " 1 0 FFFFFF 1 1 49 50 41 7.993000 3.553000 -2.743000 5 A 21 "ALA " "3HB " 1 0 FFFFFF 1 1 50 51 25 8.704000 0.582000 -4.741000 6 A 38 "ALA " " N " 7 0 2F2FFF 0 1 51 52 3 9.958000 0.338000 -5.447000 6 A 10 "ALA " " CA " 6 0 1EE11E 0 1 52 53 7 9.804000 0.592000 -6.928000 6 A 10 "ALA " " C " 6 0 1EE11E 0 1 53 54 15 8.734000 0.968000 -7.421000 6 A 75 "ALA " " O " 8 0 FF5757 0 1 54 55 3 10.398000 -1.103000 -5.133000 6 A 10 "ALA " " CB " 6 0 1EE11E 0 1 55 56 43 8.163000 -0.116000 -4.120000 6 A 21 "ALA " " H " 1 0 FFFFFF 0 1 56 57 41 10.720000 1.045000 -5.071000 6 A 21 "ALA " " HA " 1 0 FFFFFF 0 1 57 58 41 10.542000 -1.260000 -4.047000 6 A 21 "ALA " "1HB " 1 0 FFFFFF 0 1 58 59 41 9.652000 -1.849000 -5.470000 6 A 21 "ALA " "2HB " 1 0 FFFFFF 0 1 59 60 41 11.356000 -1.357000 -5.620000 6 A 21 "ALA " "3HB " 1 0 FFFFFF 0 1 60 ::: } m_bond[118] { # First column is bond index # i_m_from i_m_to i_m_order i_m_from_rep i_m_to_rep b_m_thin_bond ::: 1 1 2 1 2 2 1 2 1 6 1 2 2 1 3 2 1 1 2 2 1 4 2 3 1 2 2 1 5 2 5 1 2 2 1 6 2 7 1 2 2 1 7 3 2 1 2 2 1 8 3 4 2 2 2 1 9 3 11 1 2 2 1 10 4 3 2 2 2 1 11 5 2 1 2 2 1 12 5 8 1 2 2 1 13 5 9 1 2 2 1 14 5 10 1 2 2 1 15 6 1 1 2 2 1 16 7 2 1 2 2 1 17 8 5 1 2 2 1 18 9 5 1 2 2 1 19 10 5 1 2 2 1 20 11 3 1 2 2 1 21 11 12 1 2 2 1 22 11 16 1 2 2 1 23 12 11 1 2 2 1 24 12 13 1 2 2 1 25 12 15 1 2 2 1 26 12 17 1 2 2 1 27 13 12 1 2 2 1 28 13 14 2 2 2 1 29 13 21 1 2 2 1 30 14 13 2 2 2 1 31 15 12 1 2 2 1 32 15 18 1 2 2 1 33 15 19 1 2 2 1 34 15 20 1 2 2 1 35 16 11 1 2 2 1 36 17 12 1 2 2 1 37 18 15 1 2 2 1 38 19 15 1 2 2 1 39 20 15 1 2 2 1 40 21 13 1 2 2 1 41 21 22 1 2 2 1 42 21 26 1 2 2 1 43 22 21 1 2 2 1 44 22 23 1 2 2 1 45 22 25 1 2 2 1 46 22 27 1 2 2 1 47 23 22 1 2 2 1 48 23 24 2 2 2 1 49 23 31 1 2 2 1 50 24 23 2 2 2 1 51 25 22 1 2 2 1 52 25 28 1 2 2 1 53 25 29 1 2 2 1 54 25 30 1 2 2 1 55 26 21 1 2 2 1 56 27 22 1 2 2 1 57 28 25 1 2 2 1 58 29 25 1 2 2 1 59 30 25 1 2 2 1 60 31 23 1 2 2 1 61 31 32 1 2 2 1 62 31 36 1 2 2 1 63 32 31 1 2 2 1 64 32 33 1 2 2 1 65 32 35 1 2 2 1 66 32 37 1 2 2 1 67 33 32 1 2 2 1 68 33 34 2 2 2 1 69 33 41 1 2 2 1 70 34 33 2 2 2 1 71 35 32 1 2 2 1 72 35 38 1 2 2 1 73 35 39 1 2 2 1 74 35 40 1 2 2 1 75 36 31 1 2 2 1 76 37 32 1 2 2 1 77 38 35 1 2 2 1 78 39 35 1 2 2 1 79 40 35 1 2 2 1 80 41 33 1 2 2 1 81 41 42 1 2 2 1 82 41 46 1 2 2 1 83 42 41 1 2 2 1 84 42 43 1 2 2 1 85 42 45 1 2 2 1 86 42 47 1 2 2 1 87 43 42 1 2 2 1 88 43 44 2 2 2 1 89 43 51 1 2 2 1 90 44 43 2 2 2 1 91 45 42 1 2 2 1 92 45 48 1 2 2 1 93 45 49 1 2 2 1 94 45 50 1 2 2 1 95 46 41 1 2 2 1 96 47 42 1 2 2 1 97 48 45 1 2 2 1 98 49 45 1 2 2 1 99 50 45 1 2 2 1 100 51 43 1 2 2 1 101 51 52 1 2 2 1 102 51 56 1 2 2 1 103 52 51 1 2 2 1 104 52 53 1 2 2 1 105 52 55 1 2 2 1 106 52 57 1 2 2 1 107 53 52 1 2 2 1 108 53 54 2 2 2 1 109 54 53 2 2 2 1 110 55 52 1 2 2 1 111 55 58 1 2 2 1 112 55 59 1 2 2 1 113 55 60 1 2 2 1 114 56 51 1 2 2 1 115 57 52 1 2 2 1 116 58 55 1 2 2 1 117 59 55 1 2 2 1 118 60 55 1 2 2 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_source_file i_m_source_file_index i_m_ct_format ::: x_ballstick 7 x.1 /tmp/x.pdb 1 2 m_atom[60] { # 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_mmod_res i_m_color s_m_pdb_residue_name s_m_pdb_atom_name i_m_atomic_number i_m_formal_charge i_m_representation s_m_color_rgb i_m_secondary_structure r_m_pdb_occupancy i_pdb_PDB_serial ::: 1 34 1.968000 -1.400000 -2.402000 1 A 38 "ALA " " N " 7 1 3 2F2FFF 0 1 1 2 3 2.644000 -0.106000 -2.402000 1 A 10 "ALA " " CA " 6 0 3 1EE11E 0 1 2 3 2 4.144000 -0.280000 -2.402000 1 A 10 "ALA " " C " 6 0 3 1EE11E 0 1 3 4 15 4.878000 0.354000 -3.168000 1 A 75 "ALA " " O " 8 0 3 FF5757 0 1 4 5 3 2.136000 0.686000 -1.185000 1 A 10 "ALA " " CB " 6 0 3 1EE11E 0 1 5 6 44 2.514000 -2.332000 -2.402000 1 A 21 "ALA " " H " 1 0 3 FFFFFF 0 1 6 7 41 2.376000 0.433000 -3.330000 1 A 21 "ALA " " HA " 1 0 3 FFFFFF 0 1 7 8 41 1.040000 0.836000 -1.221000 1 A 21 "ALA " "1HB " 1 0 3 FFFFFF 0 1 8 9 41 2.360000 0.172000 -0.230000 1 A 21 "ALA " "2HB " 1 0 3 FFFFFF 0 1 9 10 41 2.592000 1.691000 -1.128000 1 A 21 "ALA " "3HB " 1 0 3 FFFFFF 0 1 10 11 25 4.750000 -1.234000 -1.461000 2 A 38 "ALA " " N " 7 0 3 2F2FFF 1 1 11 12 3 6.190000 -1.180000 -1.696000 2 A 10 "ALA " " CA " 6 0 3 1EE11E 1 1 12 13 2 6.515000 -1.493000 -3.137000 2 A 10 "ALA " " C " 6 0 3 1EE11E 1 1 13 14 15 7.296000 -0.799000 -3.799000 2 A 75 "ALA " " O " 8 0 3 FF5757 1 1 14 15 3 6.860000 -2.153000 -0.710000 2 A 10 "ALA " " CB " 6 0 3 1EE11E 1 1 15 16 43 4.234000 -1.850000 -0.740000 2 A 21 "ALA " " H " 1 0 3 FFFFFF 1 1 16 17 41 6.543000 -0.151000 -1.495000 2 A 21 "ALA " " HA " 1 0 3 FFFFFF 1 1 17 18 41 6.642000 -1.886000 0.342000 2 A 21 "ALA " "1HB " 1 0 3 FFFFFF 1 1 18 19 41 6.519000 -3.196000 -0.856000 2 A 21 "ALA " "2HB " 1 0 3 FFFFFF 1 1 19 20 41 7.960000 -2.153000 -0.816000 2 A 21 "ALA " "3HB " 1 0 3 FFFFFF 1 1 20 21 25 5.882000 -2.657000 -3.773000 3 A 38 "ALA " " N " 7 0 3 2F2FFF 1 1 21 22 3 6.384000 -2.698000 -5.144000 3 A 10 "ALA " " CA " 6 0 3 1EE11E 1 1 22 23 2 6.090000 -1.404000 -5.865000 3 A 10 "ALA " " C " 6 0 3 1EE11E 1 1 23 24 15 6.950000 -0.813000 -6.529000 3 A 75 "ALA " " O " 8 0 3 FF5757 1 1 24 25 3 5.758000 -3.921000 -5.834000 3 A 10 "ALA " " CB " 6 0 3 1EE11E 1 1 25 26 43 5.185000 -3.345000 -3.318000 3 A 21 "ALA " " H " 1 0 3 FFFFFF 1 1 26 27 41 7.484000 -2.814000 -5.114000 3 A 21 "ALA " " HA " 1 0 3 FFFFFF 1 1 27 28 41 6.015000 -4.863000 -5.313000 3 A 21 "ALA " "1HB " 1 0 3 FFFFFF 1 1 28 29 41 4.652000 -3.861000 -5.866000 3 A 21 "ALA " "2HB " 1 0 3 FFFFFF 1 1 29 30 41 6.108000 -4.030000 -6.877000 3 A 21 "ALA " "3HB " 1 0 3 FFFFFF 1 1 30 31 25 4.740000 -0.830000 -5.776000 4 A 38 "ALA " " N " 7 0 3 2F2FFF 1 1 31 32 3 4.765000 0.399000 -6.564000 4 A 10 "ALA " " CA " 6 0 3 1EE11E 1 1 32 33 2 5.836000 1.339000 -6.065000 4 A 10 "ALA " " C " 6 0 3 1EE11E 1 1 33 34 15 6.624000 1.903000 -6.833000 4 A 75 "ALA " " O " 8 0 3 FF5757 1 1 34 35 3 3.357000 1.016000 -6.510000 4 A 10 "ALA " " CB " 6 0 3 1EE11E 1 1 35 36 43 3.897000 -1.236000 -5.235000 4 A 21 "ALA " " H " 1 0 3 FFFFFF 1 1 36 37 41 5.015000 0.143000 -7.611000 4 A 21 "ALA " " HA " 1 0 3 FFFFFF 1 1 37 38 41 2.591000 0.328000 -6.915000 4 A 21 "ALA " "1HB " 1 0 3 FFFFFF 1 1 38 39 41 3.051000 1.268000 -5.476000 4 A 21 "ALA " "2HB " 1 0 3 FFFFFF 1 1 39 40 41 3.292000 1.947000 -7.104000 4 A 21 "ALA " "3HB " 1 0 3 FFFFFF 1 1 40 41 25 5.944000 1.593000 -4.621000 5 A 38 "ALA " " N " 7 0 3 2F2FFF 1 1 41 42 3 7.053000 2.527000 -4.451000 5 A 10 "ALA " " CA " 6 0 3 1EE11E 1 1 42 43 2 8.325000 1.970000 -5.045000 5 A 10 "ALA " " C " 6 0 3 1EE11E 1 1 43 44 15 9.056000 2.644000 -5.780000 5 A 75 "ALA " " O " 8 0 3 FF5757 1 1 44 45 3 7.181000 2.832000 -2.949000 5 A 10 "ALA " " CB " 6 0 3 1EE11E 1 1 45 46 43 5.327000 1.172000 -3.841000 5 A 21 "ALA " " H " 1 0 3 FFFFFF 1 1 46 47 41 6.816000 3.459000 -4.998000 5 A 21 "ALA " " HA " 1 0 3 FFFFFF 1 1 47 48 41 6.253000 3.275000 -2.540000 5 A 21 "ALA " "1HB " 1 0 3 FFFFFF 1 1 48 49 41 7.394000 1.922000 -2.355000 5 A 21 "ALA " "2HB " 1 0 3 FFFFFF 1 1 49 50 41 7.993000 3.553000 -2.743000 5 A 21 "ALA " "3HB " 1 0 3 FFFFFF 1 1 50 51 25 8.704000 0.582000 -4.741000 6 A 38 "ALA " " N " 7 0 3 2F2FFF 0 1 51 52 3 9.958000 0.338000 -5.447000 6 A 10 "ALA " " CA " 6 0 3 1EE11E 0 1 52 53 7 9.804000 0.592000 -6.928000 6 A 10 "ALA " " C " 6 0 3 1EE11E 0 1 53 54 15 8.734000 0.968000 -7.421000 6 A 75 "ALA " " O " 8 0 3 FF5757 0 1 54 55 3 10.398000 -1.103000 -5.133000 6 A 10 "ALA " " CB " 6 0 3 1EE11E 0 1 55 56 43 8.163000 -0.116000 -4.120000 6 A 21 "ALA " " H " 1 0 3 FFFFFF 0 1 56 57 41 10.720000 1.045000 -5.071000 6 A 21 "ALA " " HA " 1 0 3 FFFFFF 0 1 57 58 41 10.542000 -1.260000 -4.047000 6 A 21 "ALA " "1HB " 1 0 3 FFFFFF 0 1 58 59 41 9.652000 -1.849000 -5.470000 6 A 21 "ALA " "2HB " 1 0 3 FFFFFF 0 1 59 60 41 11.356000 -1.357000 -5.620000 6 A 21 "ALA " "3HB " 1 0 3 FFFFFF 0 1 60 ::: } m_bond[59] { # 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 3 3 2 1 6 1 3 3 3 2 3 1 3 3 4 2 5 1 3 3 5 2 7 1 3 3 6 3 4 2 3 3 7 3 11 1 3 3 8 5 8 1 3 3 9 5 9 1 3 3 10 5 10 1 3 3 11 11 12 1 3 3 12 11 16 1 3 3 13 12 13 1 3 3 14 12 15 1 3 3 15 12 17 1 3 3 16 13 14 2 3 3 17 13 21 1 3 3 18 15 18 1 3 3 19 15 19 1 3 3 20 15 20 1 3 3 21 21 22 1 3 3 22 21 26 1 3 3 23 22 23 1 3 3 24 22 25 1 3 3 25 22 27 1 3 3 26 23 24 2 3 3 27 23 31 1 3 3 28 25 28 1 3 3 29 25 29 1 3 3 30 25 30 1 3 3 31 31 32 1 3 3 32 31 36 1 3 3 33 32 33 1 3 3 34 32 35 1 3 3 35 32 37 1 3 3 36 33 34 2 3 3 37 33 41 1 3 3 38 35 38 1 3 3 39 35 39 1 3 3 40 35 40 1 3 3 41 41 42 1 3 3 42 41 46 1 3 3 43 42 43 1 3 3 44 42 45 1 3 3 45 42 47 1 3 3 46 43 44 2 3 3 47 43 51 1 3 3 48 45 48 1 3 3 49 45 49 1 3 3 50 45 50 1 3 3 51 51 52 1 3 3 52 51 56 1 3 3 53 52 53 1 3 3 54 52 55 1 3 3 55 52 57 1 3 3 56 53 54 2 3 3 57 55 58 1 3 3 58 55 59 1 3 3 59 55 60 1 3 3 ::: } }