NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
499960 | 2kqa | cing | 2-parsed | STAR | dipolar coupling | 264 |
data_2kqa_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2kqa _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_2kqa 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2kqa _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2kqa "Master copy" parsed_2kqa stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2kqa _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2kqa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kqa 1 1 2kqa.mr . . XPLOR/CNS 2 distance NOE simple 3203 parsed_2kqa 1 1 2kqa.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 116 parsed_2kqa 1 1 2kqa.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 264 parsed_2kqa 1 1 2kqa.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kqa 1 1 2kqa.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kqa 1 stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _RDC_constraint_list.Sf_category RDC_constraints _RDC_constraint_list.Entry_ID parsed_2kqa _RDC_constraint_list.ID 1 _RDC_constraint_list.Constraint_file_ID 1 _RDC_constraint_list.Block_ID 4 _RDC_constraint_list.Details "Generated by Wattos" loop_ _RDC_constraint.ID _RDC_constraint.Assembly_atom_ID_1 _RDC_constraint.Entity_assembly_ID_1 _RDC_constraint.Entity_ID_1 _RDC_constraint.Comp_index_ID_1 _RDC_constraint.Seq_ID_1 _RDC_constraint.Comp_ID_1 _RDC_constraint.Atom_ID_1 _RDC_constraint.Resonance_ID_1 _RDC_constraint.Assembly_atom_ID_2 _RDC_constraint.Entity_assembly_ID_2 _RDC_constraint.Entity_ID_2 _RDC_constraint.Comp_index_ID_2 _RDC_constraint.Seq_ID_2 _RDC_constraint.Comp_ID_2 _RDC_constraint.Atom_ID_2 _RDC_constraint.Resonance_ID_2 _RDC_constraint.RDC_val _RDC_constraint.RDC_lower_bound _RDC_constraint.RDC_upper_bound _RDC_constraint.RDC_val_err _RDC_constraint.Source_experiment_ID _RDC_constraint.Auth_asym_ID_1 _RDC_constraint.Auth_seq_ID_1 _RDC_constraint.Auth_comp_ID_1 _RDC_constraint.Auth_atom_ID_1 _RDC_constraint.Auth_asym_ID_2 _RDC_constraint.Auth_seq_ID_2 _RDC_constraint.Auth_comp_ID_2 _RDC_constraint.Auth_atom_ID_2 _RDC_constraint.Entry_ID _RDC_constraint.RDC_constraint_list_ID 1 . . . . . . . . . . . . . . . . -4.7 . . . . . 10 . C . 11 . HN parsed_2kqa 1 2 . . . . . . . . . . . . . . . . -7.0 . . . . . 11 . C . 12 . HN parsed_2kqa 1 3 . . . . . . . . . . . . . . . . -2.3 . . . . . 17 . C . 18 . HN parsed_2kqa 1 4 . . . . . . . . . . . . . . . . 0.0 . . . . . 18 . C . 19 . HN parsed_2kqa 1 5 . . . . . . . . . . . . . . . . -2.3 . . . . . 19 . C . 20 . HN parsed_2kqa 1 6 . . . . . . . . . . . . . . . . -2.3 . . . . . 20 . C . 21 . HN parsed_2kqa 1 7 . . . . . . . . . . . . . . . . -2.3 . . . . . 23 . C . 24 . HN parsed_2kqa 1 8 . . . . . . . . . . . . . . . . 2.3 . . . . . 24 . C . 25 . HN parsed_2kqa 1 9 . . . . . . . . . . . . . . . . 0.0 . . . . . 25 . C . 26 . HN parsed_2kqa 1 10 . . . . . . . . . . . . . . . . -7.0 . . . . . 28 . C . 29 . HN parsed_2kqa 1 11 . . . . . . . . . . . . . . . . -7.0 . . . . . 29 . C . 30 . HN parsed_2kqa 1 12 . . . . . . . . . . . . . . . . 2.3 . . . . . 31 . C . 32 . HN parsed_2kqa 1 13 . . . . . . . . . . . . . . . . 0.0 . . . . . 34 . C . 35 . HN parsed_2kqa 1 14 . . . . . . . . . . . . . . . . 2.3 . . . . . 35 . C . 36 . HN parsed_2kqa 1 15 . . . . . . . . . . . . . . . . 2.3 . . . . . 37 . C . 38 . HN parsed_2kqa 1 16 . . . . . . . . . . . . . . . . 7.0 . . . . . 38 . C . 39 . HN parsed_2kqa 1 17 . . . . . . . . . . . . . . . . 2.3 . . . . . 39 . C . 40 . HN parsed_2kqa 1 18 . . . . . . . . . . . . . . . . -11.7 . . . . . 41 . C . 42 . HN parsed_2kqa 1 19 . . . . . . . . . . . . . . . . -4.7 . . . . . 42 . C . 43 . HN parsed_2kqa 1 20 . . . . . . . . . . . . . . . . 11.7 . . . . . 47 . C . 48 . HN parsed_2kqa 1 21 . . . . . . . . . . . . . . . . 2.3 . . . . . 52 . C . 53 . HN parsed_2kqa 1 22 . . . . . . . . . . . . . . . . -4.7 . . . . . 56 . C . 57 . HN parsed_2kqa 1 23 . . . . . . . . . . . . . . . . -4.7 . . . . . 57 . C . 58 . HN parsed_2kqa 1 24 . . . . . . . . . . . . . . . . 0.0 . . . . . 60 . C . 61 . HN parsed_2kqa 1 25 . . . . . . . . . . . . . . . . 9.0 . . . . . 70 . C . 71 . HN parsed_2kqa 1 26 . . . . . . . . . . . . . . . . 0.0 . . . . . 71 . C . 72 . HN parsed_2kqa 1 27 . . . . . . . . . . . . . . . . 7.0 . . . . . 72 . C . 73 . HN parsed_2kqa 1 28 . . . . . . . . . . . . . . . . 0.0 . . . . . 76 . C . 77 . HN parsed_2kqa 1 29 . . . . . . . . . . . . . . . . -4.7 . . . . . 77 . C . 78 . HN parsed_2kqa 1 30 . . . . . . . . . . . . . . . . 4.5 . . . . . 78 . C . 79 . HN parsed_2kqa 1 31 . . . . . . . . . . . . . . . . -9.3 . . . . . 79 . C . 80 . HN parsed_2kqa 1 32 . . . . . . . . . . . . . . . . -2.3 . . . . . 81 . C . 82 . HN parsed_2kqa 1 33 . . . . . . . . . . . . . . . . 9.3 . . . . . 82 . C . 83 . HN parsed_2kqa 1 34 . . . . . . . . . . . . . . . . -7.0 . . . . . 84 . C . 85 . HN parsed_2kqa 1 35 . . . . . . . . . . . . . . . . 9.3 . . . . . 85 . C . 86 . HN parsed_2kqa 1 36 . . . . . . . . . . . . . . . . -9.3 . . . . . 86 . C . 87 . HN parsed_2kqa 1 37 . . . . . . . . . . . . . . . . 4.7 . . . . . 87 . C . 88 . HN parsed_2kqa 1 38 . . . . . . . . . . . . . . . . -2.3 . . . . . 89 . C . 90 . HN parsed_2kqa 1 39 . . . . . . . . . . . . . . . . 4.7 . . . . . 90 . C . 91 . HN parsed_2kqa 1 40 . . . . . . . . . . . . . . . . 0.000 . . . . . 93 . C . 94 . HN parsed_2kqa 1 41 . . . . . . . . . . . . . . . . 2.3 . . . . . 94 . C . 95 . HN parsed_2kqa 1 42 . . . . . . . . . . . . . . . . -11.7 . . . . . 98 . C . 99 . HN parsed_2kqa 1 43 . . . . . . . . . . . . . . . . 7.0 . . . . . 99 . C . 100 . HN parsed_2kqa 1 44 . . . . . . . . . . . . . . . . 4.7 . . . . . 100 . C . 101 . HN parsed_2kqa 1 45 . . . . . . . . . . . . . . . . -4.7 . . . . . 101 . C . 102 . HN parsed_2kqa 1 46 . . . . . . . . . . . . . . . . 9.3 . . . . . 103 . C . 104 . HN parsed_2kqa 1 47 . . . . . . . . . . . . . . . . -2.3 . . . . . 112 . C . 113 . HN parsed_2kqa 1 48 . . . . . . . . . . . . . . . . 0.0 . . . . . 113 . C . 114 . HN parsed_2kqa 1 49 . . . . . . . . . . . . . . . . 0.0 . . . . . 117 . C . 118 . HN parsed_2kqa 1 50 . . . . . . . . . . . . . . . . 9.3 . . . . . 120 . C . 121 . HN parsed_2kqa 1 51 . . . . . . . . . . . . . . . . 7.0 . . . . . 122 . C . 123 . HN parsed_2kqa 1 52 . . . . . . . . . . . . . . . . 0.0 . . . . . 124 . C . 125 . HN parsed_2kqa 1 53 . . . . . . . . . . . . . . . . -7.8 . . . . . 10 . HA . 10 . CA parsed_2kqa 1 54 . . . . . . . . . . . . . . . . -0.5 . . . . . 11 . HA . 11 . CA parsed_2kqa 1 55 . . . . . . . . . . . . . . . . 5.4 . . . . . 12 . HA . 12 . CA parsed_2kqa 1 56 . . . . . . . . . . . . . . . . 4.2 . . . . . 13 . HA . 13 . CA parsed_2kqa 1 57 . . . . . . . . . . . . . . . . -1.1 . . . . . 14 . HA . 14 . CA parsed_2kqa 1 58 . . . . . . . . . . . . . . . . -1.4 . . . . . 15 . HA . 15 . CA parsed_2kqa 1 59 . . . . . . . . . . . . . . . . 3.6 . . . . . 17 . HA . 17 . CA parsed_2kqa 1 60 . . . . . . . . . . . . . . . . 10.5 . . . . . 18 . HA . 18 . CA parsed_2kqa 1 61 . . . . . . . . . . . . . . . . -4.1 . . . . . 19 . HA . 19 . CA parsed_2kqa 1 62 . . . . . . . . . . . . . . . . -2.0 . . . . . 20 . HA . 20 . CA parsed_2kqa 1 63 . . . . . . . . . . . . . . . . 1.0 . . . . . 21 . HA . 21 . CA parsed_2kqa 1 64 . . . . . . . . . . . . . . . . -10.7 . . . . . 22 . HA . 22 . CA parsed_2kqa 1 65 . . . . . . . . . . . . . . . . -3.8 . . . . . 23 . HA . 23 . CA parsed_2kqa 1 66 . . . . . . . . . . . . . . . . -8.1 . . . . . 26 . HA . 26 . CA parsed_2kqa 1 67 . . . . . . . . . . . . . . . . 3.3 . . . . . 27 . HA . 27 . CA parsed_2kqa 1 68 . . . . . . . . . . . . . . . . 1.6 . . . . . 29 . HA . 29 . CA parsed_2kqa 1 69 . . . . . . . . . . . . . . . . -8.5 . . . . . 31 . HA . 31 . CA parsed_2kqa 1 70 . . . . . . . . . . . . . . . . 6.7 . . . . . 33 . HA . 33 . CA parsed_2kqa 1 71 . . . . . . . . . . . . . . . . -6.2 . . . . . 36 . HA . 36 . CA parsed_2kqa 1 72 . . . . . . . . . . . . . . . . 3.4 . . . . . 38 . HA . 38 . CA parsed_2kqa 1 73 . . . . . . . . . . . . . . . . 8.7 . . . . . 39 . HA . 39 . CA parsed_2kqa 1 74 . . . . . . . . . . . . . . . . -3.0 . . . . . 41 . HA . 41 . CA parsed_2kqa 1 75 . . . . . . . . . . . . . . . . -10.5 . . . . . 42 . HA . 42 . CA parsed_2kqa 1 76 . . . . . . . . . . . . . . . . 0.0 . . . . . 43 . HA . 43 . CA parsed_2kqa 1 77 . . . . . . . . . . . . . . . . -7.5 . . . . . 45 . HA . 45 . CA parsed_2kqa 1 78 . . . . . . . . . . . . . . . . 3.4 . . . . . 47 . HA . 47 . CA parsed_2kqa 1 79 . . . . . . . . . . . . . . . . -0.9 . . . . . 49 . HA . 49 . CA parsed_2kqa 1 80 . . . . . . . . . . . . . . . . -0.2 . . . . . 52 . HA . 52 . CA parsed_2kqa 1 81 . . . . . . . . . . . . . . . . -10.5 . . . . . 56 . HA . 56 . CA parsed_2kqa 1 82 . . . . . . . . . . . . . . . . -0.9 . . . . . 57 . HA . 57 . CA parsed_2kqa 1 83 . . . . . . . . . . . . . . . . -0.2 . . . . . 58 . HA . 58 . CA parsed_2kqa 1 84 . . . . . . . . . . . . . . . . 1.4 . . . . . 61 . HA . 61 . CA parsed_2kqa 1 85 . . . . . . . . . . . . . . . . -1.6 . . . . . 62 . HA . 62 . CA parsed_2kqa 1 86 . . . . . . . . . . . . . . . . -7.4 . . . . . 65 . HA . 65 . CA parsed_2kqa 1 87 . . . . . . . . . . . . . . . . 3.7 . . . . . 66 . HA . 66 . CA parsed_2kqa 1 88 . . . . . . . . . . . . . . . . -6.1 . . . . . 68 . HA . 68 . CA parsed_2kqa 1 89 . . . . . . . . . . . . . . . . 0.8 . . . . . 69 . HA . 69 . CA parsed_2kqa 1 90 . . . . . . . . . . . . . . . . 0.1 . . . . . 72 . HA . 72 . CA parsed_2kqa 1 91 . . . . . . . . . . . . . . . . -3.2 . . . . . 73 . HA . 73 . CA parsed_2kqa 1 92 . . . . . . . . . . . . . . . . -5.8 . . . . . 74 . HA . 74 . CA parsed_2kqa 1 93 . . . . . . . . . . . . . . . . -0.9 . . . . . 75 . HA . 75 . CA parsed_2kqa 1 94 . . . . . . . . . . . . . . . . -10.0 . . . . . 78 . HA . 78 . CA parsed_2kqa 1 95 . . . . . . . . . . . . . . . . -10.1 . . . . . 79 . HA . 79 . CA parsed_2kqa 1 96 . . . . . . . . . . . . . . . . -6.7 . . . . . 80 . HA . 80 . CA parsed_2kqa 1 97 . . . . . . . . . . . . . . . . 6.9 . . . . . 81 . HA . 81 . CA parsed_2kqa 1 98 . . . . . . . . . . . . . . . . 1.2 . . . . . 83 . HA . 83 . CA parsed_2kqa 1 99 . . . . . . . . . . . . . . . . 5.8 . . . . . 85 . HA . 85 . CA parsed_2kqa 1 100 . . . . . . . . . . . . . . . . 3.4 . . . . . 86 . HA . 86 . CA parsed_2kqa 1 101 . . . . . . . . . . . . . . . . -0.7 . . . . . 89 . HA . 89 . CA parsed_2kqa 1 102 . . . . . . . . . . . . . . . . 7.6 . . . . . 92 . HA . 92 . CA parsed_2kqa 1 103 . . . . . . . . . . . . . . . . 8.4 . . . . . 93 . HA . 93 . CA parsed_2kqa 1 104 . . . . . . . . . . . . . . . . 5.9 . . . . . 94 . HA . 94 . CA parsed_2kqa 1 105 . . . . . . . . . . . . . . . . 9.6 . . . . . 96 . HA . 96 . CA parsed_2kqa 1 106 . . . . . . . . . . . . . . . . 3.3 . . . . . 97 . HA . 97 . CA parsed_2kqa 1 107 . . . . . . . . . . . . . . . . -10.8 . . . . . 98 . HA . 98 . CA parsed_2kqa 1 108 . . . . . . . . . . . . . . . . 3.6 . . . . . 99 . HA . 99 . CA parsed_2kqa 1 109 . . . . . . . . . . . . . . . . 5.2 . . . . . 100 . HA . 100 . CA parsed_2kqa 1 110 . . . . . . . . . . . . . . . . -2.3 . . . . . 101 . HA . 101 . CA parsed_2kqa 1 111 . . . . . . . . . . . . . . . . -10.3 . . . . . 102 . HA . 102 . CA parsed_2kqa 1 112 . . . . . . . . . . . . . . . . 4.57 . . . . . 103 . HA . 103 . CA parsed_2kqa 1 113 . . . . . . . . . . . . . . . . 6.3 . . . . . 112 . HA . 112 . CA parsed_2kqa 1 114 . . . . . . . . . . . . . . . . 0.4 . . . . . 113 . HA . 113 . CA parsed_2kqa 1 115 . . . . . . . . . . . . . . . . -2.8 . . . . . 114 . HA . 114 . CA parsed_2kqa 1 116 . . . . . . . . . . . . . . . . -4.4 . . . . . 115 . HA . 115 . CA parsed_2kqa 1 117 . . . . . . . . . . . . . . . . -1.1 . . . . . 116 . HA . 116 . CA parsed_2kqa 1 118 . . . . . . . . . . . . . . . . 1.2 . . . . . 118 . HA . 118 . CA parsed_2kqa 1 119 . . . . . . . . . . . . . . . . 1.2 . . . . . 119 . HA . 119 . CA parsed_2kqa 1 120 . . . . . . . . . . . . . . . . -6.2 . . . . . 121 . HA . 121 . CA parsed_2kqa 1 121 . . . . . . . . . . . . . . . . -8.0 . . . . . 123 . HA . 123 . CA parsed_2kqa 1 122 . . . . . . . . . . . . . . . . 6.0 . . . . . 124 . HA . 124 . CA parsed_2kqa 1 123 . . . . . . . . . . . . . . . . -5.6 . . . . . 125 . HA . 125 . CA parsed_2kqa 1 124 . . . . . . . . . . . . . . . . -2.4 . . . . . 10 . C . 11 . N parsed_2kqa 1 125 . . . . . . . . . . . . . . . . -4.1 . . . . . 11 . C . 12 . N parsed_2kqa 1 126 . . . . . . . . . . . . . . . . -0.6 . . . . . 13 . C . 14 . N parsed_2kqa 1 127 . . . . . . . . . . . . . . . . 8.3 . . . . . 18 . C . 19 . N parsed_2kqa 1 128 . . . . . . . . . . . . . . . . -4.7 . . . . . 19 . C . 20 . N parsed_2kqa 1 129 . . . . . . . . . . . . . . . . -10.2 . . . . . 20 . C . 21 . N parsed_2kqa 1 130 . . . . . . . . . . . . . . . . 4.1 . . . . . 21 . C . 22 . N parsed_2kqa 1 131 . . . . . . . . . . . . . . . . 0.6 . . . . . 23 . C . 24 . N parsed_2kqa 1 132 . . . . . . . . . . . . . . . . -4.7 . . . . . 24 . C . 25 . N parsed_2kqa 1 133 . . . . . . . . . . . . . . . . 9.5 . . . . . 25 . C . 26 . N parsed_2kqa 1 134 . . . . . . . . . . . . . . . . -13.6 . . . . . 28 . C . 29 . N parsed_2kqa 1 135 . . . . . . . . . . . . . . . . -1.8 . . . . . 29 . C . 30 . N parsed_2kqa 1 136 . . . . . . . . . . . . . . . . 5.3 . . . . . 31 . C . 32 . N parsed_2kqa 1 137 . . . . . . . . . . . . . . . . 5.3 . . . . . 32 . C . 33 . N parsed_2kqa 1 138 . . . . . . . . . . . . . . . . 1.8 . . . . . 34 . C . 35 . N parsed_2kqa 1 139 . . . . . . . . . . . . . . . . -7.1 . . . . . 36 . C . 37 . N parsed_2kqa 1 140 . . . . . . . . . . . . . . . . -5.3 . . . . . 37 . C . 38 . N parsed_2kqa 1 141 . . . . . . . . . . . . . . . . -3.0 . . . . . 38 . C . 39 . N parsed_2kqa 1 142 . . . . . . . . . . . . . . . . 3.5 . . . . . 39 . C . 40 . N parsed_2kqa 1 143 . . . . . . . . . . . . . . . . -3.0 . . . . . 41 . C . 42 . N parsed_2kqa 1 144 . . . . . . . . . . . . . . . . 5.9 . . . . . 47 . C . 48 . N parsed_2kqa 1 145 . . . . . . . . . . . . . . . . -5.9 . . . . . 52 . C . 53 . N parsed_2kqa 1 146 . . . . . . . . . . . . . . . . -3.0 . . . . . 57 . C . 58 . N parsed_2kqa 1 147 . . . . . . . . . . . . . . . . 5.9 . . . . . 60 . C . 61 . N parsed_2kqa 1 148 . . . . . . . . . . . . . . . . 0.0 . . . . . 61 . C . 62 . N parsed_2kqa 1 149 . . . . . . . . . . . . . . . . -3.5 . . . . . 66 . C . 67 . N parsed_2kqa 1 150 . . . . . . . . . . . . . . . . 6.5 . . . . . 70 . C . 71 . N parsed_2kqa 1 151 . . . . . . . . . . . . . . . . 2.4 . . . . . 71 . C . 72 . N parsed_2kqa 1 152 . . . . . . . . . . . . . . . . 11.8 . . . . . 72 . C . 73 . N parsed_2kqa 1 153 . . . . . . . . . . . . . . . . 10.3 . . . . . 76 . C . 77 . N parsed_2kqa 1 154 . . . . . . . . . . . . . . . . 3.5 . . . . . 77 . C . 78 . N parsed_2kqa 1 155 . . . . . . . . . . . . . . . . 10.6 . . . . . 78 . C . 79 . N parsed_2kqa 1 156 . . . . . . . . . . . . . . . . 2.3 . . . . . 79 . C . 80 . N parsed_2kqa 1 157 . . . . . . . . . . . . . . . . -2.4 . . . . . 81 . C . 82 . N parsed_2kqa 1 158 . . . . . . . . . . . . . . . . 14.7 . . . . . 82 . C . 83 . N parsed_2kqa 1 159 . . . . . . . . . . . . . . . . -10.1 . . . . . 84 . C . 85 . N parsed_2kqa 1 160 . . . . . . . . . . . . . . . . 3.6 . . . . . 85 . C . 86 . N parsed_2kqa 1 161 . . . . . . . . . . . . . . . . -7.7 . . . . . 86 . C . 87 . N parsed_2kqa 1 162 . . . . . . . . . . . . . . . . 7.8 . . . . . 87 . C . 88 . N parsed_2kqa 1 163 . . . . . . . . . . . . . . . . -7.1 . . . . . 88 . C . 89 . N parsed_2kqa 1 164 . . . . . . . . . . . . . . . . 0.0 . . . . . 90 . C . 91 . N parsed_2kqa 1 165 . . . . . . . . . . . . . . . . 1.8 . . . . . 93 . C . 94 . N parsed_2kqa 1 166 . . . . . . . . . . . . . . . . 0.0 . . . . . 94 . C . 95 . N parsed_2kqa 1 167 . . . . . . . . . . . . . . . . -1.2 . . . . . 96 . C . 97 . N parsed_2kqa 1 168 . . . . . . . . . . . . . . . . -14.2 . . . . . 98 . C . 99 . N parsed_2kqa 1 169 . . . . . . . . . . . . . . . . -1.2 . . . . . 99 . C . 100 . N parsed_2kqa 1 170 . . . . . . . . . . . . . . . . 7.5 . . . . . 100 . C . 101 . N parsed_2kqa 1 171 . . . . . . . . . . . . . . . . -7.7 . . . . . 101 . C . 102 . N parsed_2kqa 1 172 . . . . . . . . . . . . . . . . 5.3 . . . . . 103 . C . 104 . N parsed_2kqa 1 173 . . . . . . . . . . . . . . . . 8.8 . . . . . 113 . C . 114 . N parsed_2kqa 1 174 . . . . . . . . . . . . . . . . 1.2 . . . . . 115 . C . 116 . N parsed_2kqa 1 175 . . . . . . . . . . . . . . . . 1.8 . . . . . 116 . C . 117 . N parsed_2kqa 1 176 . . . . . . . . . . . . . . . . 0.6 . . . . . 117 . C . 118 . N parsed_2kqa 1 177 . . . . . . . . . . . . . . . . 8.3 . . . . . 120 . C . 121 . N parsed_2kqa 1 178 . . . . . . . . . . . . . . . . -9.5 . . . . . 121 . C . 122 . N parsed_2kqa 1 179 . . . . . . . . . . . . . . . . 13.6 . . . . . 122 . C . 123 . N parsed_2kqa 1 180 . . . . . . . . . . . . . . . . 4.7 . . . . . 124 . C . 125 . N parsed_2kqa 1 181 . . . . . . . . . . . . . . . . -3.8 . . . . . 11 . N . 11 . HN parsed_2kqa 1 182 . . . . . . . . . . . . . . . . 5.9 . . . . . 12 . N . 12 . HN parsed_2kqa 1 183 . . . . . . . . . . . . . . . . 6.1 . . . . . 13 . N . 13 . HN parsed_2kqa 1 184 . . . . . . . . . . . . . . . . -3.8 . . . . . 14 . N . 14 . HN parsed_2kqa 1 185 . . . . . . . . . . . . . . . . -4.7 . . . . . 15 . N . 15 . HN parsed_2kqa 1 186 . . . . . . . . . . . . . . . . 7.4 . . . . . 18 . N . 18 . HN parsed_2kqa 1 187 . . . . . . . . . . . . . . . . -7.2 . . . . . 19 . N . 19 . HN parsed_2kqa 1 188 . . . . . . . . . . . . . . . . 0.9 . . . . . 20 . N . 20 . HN parsed_2kqa 1 189 . . . . . . . . . . . . . . . . 2.8 . . . . . 21 . N . 21 . HN parsed_2kqa 1 190 . . . . . . . . . . . . . . . . -0.6 . . . . . 22 . N . 22 . HN parsed_2kqa 1 191 . . . . . . . . . . . . . . . . -7.3 . . . . . 23 . N . 23 . HN parsed_2kqa 1 192 . . . . . . . . . . . . . . . . 3.5 . . . . . 24 . N . 24 . HN parsed_2kqa 1 193 . . . . . . . . . . . . . . . . 4.3 . . . . . 25 . N . 25 . HN parsed_2kqa 1 194 . . . . . . . . . . . . . . . . -5.3 . . . . . 26 . N . 26 . HN parsed_2kqa 1 195 . . . . . . . . . . . . . . . . 2.8 . . . . . 27 . N . 27 . HN parsed_2kqa 1 196 . . . . . . . . . . . . . . . . 3.8 . . . . . 29 . N . 29 . HN parsed_2kqa 1 197 . . . . . . . . . . . . . . . . -2.6 . . . . . 30 . N . 30 . HN parsed_2kqa 1 198 . . . . . . . . . . . . . . . . -5.5 . . . . . 31 . N . 31 . HN parsed_2kqa 1 199 . . . . . . . . . . . . . . . . 5.9 . . . . . 32 . N . 32 . HN parsed_2kqa 1 200 . . . . . . . . . . . . . . . . -1.7 . . . . . 33 . N . 33 . HN parsed_2kqa 1 201 . . . . . . . . . . . . . . . . -7.9 . . . . . 34 . N . 34 . HN parsed_2kqa 1 202 . . . . . . . . . . . . . . . . 0.7 . . . . . 35 . N . 35 . HN parsed_2kqa 1 203 . . . . . . . . . . . . . . . . -3.6 . . . . . 36 . N . 36 . HN parsed_2kqa 1 204 . . . . . . . . . . . . . . . . 3.1 . . . . . 38 . N . 38 . HN parsed_2kqa 1 205 . . . . . . . . . . . . . . . . 5.6 . . . . . 39 . N . 39 . HN parsed_2kqa 1 206 . . . . . . . . . . . . . . . . 0.2 . . . . . 40 . N . 40 . HN parsed_2kqa 1 207 . . . . . . . . . . . . . . . . -8.9 . . . . . 42 . N . 42 . HN parsed_2kqa 1 208 . . . . . . . . . . . . . . . . -5.1 . . . . . 44 . N . 44 . HN parsed_2kqa 1 209 . . . . . . . . . . . . . . . . -4.1 . . . . . 45 . N . 45 . HN parsed_2kqa 1 210 . . . . . . . . . . . . . . . . 1.3 . . . . . 48 . N . 48 . HN parsed_2kqa 1 211 . . . . . . . . . . . . . . . . 7.5 . . . . . 49 . N . 49 . HN parsed_2kqa 1 212 . . . . . . . . . . . . . . . . -0.9 . . . . . 53 . N . 53 . HN parsed_2kqa 1 213 . . . . . . . . . . . . . . . . 1.3 . . . . . 54 . N . 54 . HN parsed_2kqa 1 214 . . . . . . . . . . . . . . . . 3.3 . . . . . 55 . N . 55 . HN parsed_2kqa 1 215 . . . . . . . . . . . . . . . . -6.1 . . . . . 57 . N . 57 . HN parsed_2kqa 1 216 . . . . . . . . . . . . . . . . 2.4 . . . . . 58 . N . 58 . HN parsed_2kqa 1 217 . . . . . . . . . . . . . . . . -2.1 . . . . . 59 . N . 59 . HN parsed_2kqa 1 218 . . . . . . . . . . . . . . . . -8.3 . . . . . 60 . N . 60 . HN parsed_2kqa 1 219 . . . . . . . . . . . . . . . . 3.3 . . . . . 62 . N . 62 . HN parsed_2kqa 1 220 . . . . . . . . . . . . . . . . -9.1 . . . . . 65 . N . 65 . HN parsed_2kqa 1 221 . . . . . . . . . . . . . . . . -1.6 . . . . . 66 . N . 66 . HN parsed_2kqa 1 222 . . . . . . . . . . . . . . . . -3.0 . . . . . 67 . N . 67 . HN parsed_2kqa 1 223 . . . . . . . . . . . . . . . . -1.7 . . . . . 69 . N . 69 . HN parsed_2kqa 1 224 . . . . . . . . . . . . . . . . 2.1 . . . . . 70 . N . 70 . HN parsed_2kqa 1 225 . . . . . . . . . . . . . . . . 2.9 . . . . . 71 . N . 71 . HN parsed_2kqa 1 226 . . . . . . . . . . . . . . . . 3.0 . . . . . 72 . N . 72 . HN parsed_2kqa 1 227 . . . . . . . . . . . . . . . . -2.3 . . . . . 73 . N . 73 . HN parsed_2kqa 1 228 . . . . . . . . . . . . . . . . -0.4 . . . . . 76 . N . 76 . HN parsed_2kqa 1 229 . . . . . . . . . . . . . . . . -7.2 . . . . . 77 . N . 77 . HN parsed_2kqa 1 230 . . . . . . . . . . . . . . . . -4.4 . . . . . 78 . N . 78 . HN parsed_2kqa 1 231 . . . . . . . . . . . . . . . . -5.8 . . . . . 79 . N . 79 . HN parsed_2kqa 1 232 . . . . . . . . . . . . . . . . 1.3 . . . . . 81 . N . 81 . HN parsed_2kqa 1 233 . . . . . . . . . . . . . . . . 5.6 . . . . . 82 . N . 82 . HN parsed_2kqa 1 234 . . . . . . . . . . . . . . . . 2.8 . . . . . 83 . N . 83 . HN parsed_2kqa 1 235 . . . . . . . . . . . . . . . . -4.5 . . . . . 84 . N . 84 . HN parsed_2kqa 1 236 . . . . . . . . . . . . . . . . 3.1 . . . . . 85 . N . 85 . HN parsed_2kqa 1 237 . . . . . . . . . . . . . . . . 3.5 . . . . . 86 . N . 86 . HN parsed_2kqa 1 238 . . . . . . . . . . . . . . . . -0.2 . . . . . 87 . N . 87 . HN parsed_2kqa 1 239 . . . . . . . . . . . . . . . . -1.2 . . . . . 88 . N . 88 . HN parsed_2kqa 1 240 . . . . . . . . . . . . . . . . 3.1 . . . . . 90 . N . 90 . HN parsed_2kqa 1 241 . . . . . . . . . . . . . . . . 5.7 . . . . . 91 . N . 91 . HN parsed_2kqa 1 242 . . . . . . . . . . . . . . . . 6.6 . . . . . 92 . N . 92 . HN parsed_2kqa 1 243 . . . . . . . . . . . . . . . . 6.6 . . . . . 94 . N . 94 . HN parsed_2kqa 1 244 . . . . . . . . . . . . . . . . -1.8 . . . . . 95 . N . 95 . HN parsed_2kqa 1 245 . . . . . . . . . . . . . . . . 5.8 . . . . . 97 . N . 97 . HN parsed_2kqa 1 246 . . . . . . . . . . . . . . . . -1.6 . . . . . 98 . N . 98 . HN parsed_2kqa 1 247 . . . . . . . . . . . . . . . . 0.6 . . . . . 99 . N . 99 . HN parsed_2kqa 1 248 . . . . . . . . . . . . . . . . 5.7 . . . . . 100 . N . 100 . HN parsed_2kqa 1 249 . . . . . . . . . . . . . . . . 3.9 . . . . . 101 . N . 101 . HN parsed_2kqa 1 250 . . . . . . . . . . . . . . . . -2.4 . . . . . 102 . N . 102 . HN parsed_2kqa 1 251 . . . . . . . . . . . . . . . . 2.1 . . . . . 103 . N . 103 . HN parsed_2kqa 1 252 . . . . . . . . . . . . . . . . 6.7 . . . . . 104 . N . 104 . HN parsed_2kqa 1 253 . . . . . . . . . . . . . . . . 2.9 . . . . . 112 . N . 112 . HN parsed_2kqa 1 254 . . . . . . . . . . . . . . . . -7.0 . . . . . 113 . N . 113 . HN parsed_2kqa 1 255 . . . . . . . . . . . . . . . . -10.0 . . . . . 114 . N . 114 . HN parsed_2kqa 1 256 . . . . . . . . . . . . . . . . -1.8 . . . . . 115 . N . 115 . HN parsed_2kqa 1 257 . . . . . . . . . . . . . . . . 2.5 . . . . . 116 . N . 116 . HN parsed_2kqa 1 258 . . . . . . . . . . . . . . . . 2.1 . . . . . 117 . N . 117 . HN parsed_2kqa 1 259 . . . . . . . . . . . . . . . . 2.4 . . . . . 118 . N . 118 . HN parsed_2kqa 1 260 . . . . . . . . . . . . . . . . 2.0 . . . . . 121 . N . 121 . HN parsed_2kqa 1 261 . . . . . . . . . . . . . . . . 0.0 . . . . . 122 . N . 122 . HN parsed_2kqa 1 262 . . . . . . . . . . . . . . . . 1.8 . . . . . 123 . N . 123 . HN parsed_2kqa 1 263 . . . . . . . . . . . . . . . . 2.3 . . . . . 124 . N . 124 . HN parsed_2kqa 1 264 . . . . . . . . . . . . . . . . 2.4 . . . . . 125 . N . 125 . HN parsed_2kqa 1 stop_ loop_ _RDC_constraint_comment_org.ID _RDC_constraint_comment_org.Comment_text _RDC_constraint_comment_org.Comment_begin_line _RDC_constraint_comment_org.Comment_begin_column _RDC_constraint_comment_org.Comment_end_line _RDC_constraint_comment_org.Comment_end_column _RDC_constraint_comment_org.Entry_ID _RDC_constraint_comment_org.RDC_constraint_list_ID 1 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 2 and name C ) ( resid 3 and name HN ) 19.165 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 3 and name C ) ( resid 4 and name HN ) 2.047 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 4 and name C ) ( resid 5 and name HN ) -1.270 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 5 and name C ) ( resid 6 and name HN ) 3.804 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 6 and name C ) ( resid 7 and name HN ) 6.610 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 7 and name C ) ( resid 8 and name HN ) -1.378 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 8 and name C ) ( resid 9 and name HN ) 9.967 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 9 and name C ) ( resid 10 and name HN ) xxx 1.000 ; 1 1 55 51 parsed_2kqa 1 2 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 22 and name C ) ( resid 23 and name HN ) 2.990 1.000 ; 99 1 104 51 parsed_2kqa 1 3 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 26 and name C ) ( resid 27 and name HN ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 27 and name C ) ( resid 28 and name HN ) xxx 1.000 ; 127 1 139 48 parsed_2kqa 1 4 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 30 and name C ) ( resid 31 and name HN ) 15.793 1.000 ; 155 1 160 52 parsed_2kqa 1 5 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 32 and name C ) ( resid 33 and name HN ) 14.820 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 33 and name C ) ( resid 34 and name HN ) 8.341 1.000 ; 169 1 181 51 parsed_2kqa 1 6 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 36 and name C ) ( resid 37 and name HN ) 0.190 1.000 ; 197 1 202 51 parsed_2kqa 1 7 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 40 and name C ) ( resid 41 and name HN ) xxx 1.000 ; 225 1 230 49 parsed_2kqa 1 8 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 48 and name C ) ( resid 49 and name HN ) -8.420 1.000 ; 253 1 258 52 parsed_2kqa 1 9 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 58 and name C ) ( resid 59 and name HN ) 3.671 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 59 and name C ) ( resid 60 and name HN ) -4.165 1.000 ; 281 1 293 51 parsed_2kqa 1 10 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 61 and name C ) ( resid 62 and name HN ) -10.862 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 64 and name C ) ( resid 65 and name HN ) -7.130 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 65 and name C ) ( resid 66 and name HN ) 5.521 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 66 and name C ) ( resid 67 and name HN ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 67 and name C ) ( resid 68 and name HN ) 11.102 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 68 and name C ) ( resid 69 and name HN ) 2.102 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 69 and name C ) ( resid 70 and name HN ) -1.135 1.000 ; 302 1 349 53 parsed_2kqa 1 11 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 73 and name C ) ( resid 74 and name HN ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 74 and name C ) ( resid 75 and name HN ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 75 and name C ) ( resid 76 and name HN ) -4.510 1.000 ; 372 1 391 51 parsed_2kqa 1 12 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 80 and name C ) ( resid 81 and name HN ) -9.6 1.000 ; 421 1 426 49 parsed_2kqa 1 13 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 83 and name C ) ( resid 84 and name HN ) xxx 1.000 ; 442 1 447 49 parsed_2kqa 1 14 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 88 and name C ) ( resid 89 and name HN ) -10.637 1.000 ; 477 1 482 52 parsed_2kqa 1 15 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 91 and name C ) ( resid 92 and name HN ) -2.372 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 92 and name C ) ( resid 93 and name HN ) 10.557 1.000 ; 498 1 510 51 parsed_2kqa 1 16 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 95 and name C ) ( resid 96 and name HN ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 96 and name C ) ( resid 97 and name HN ) 9.657 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 97 and name C ) ( resid 98 and name HN ) -3.768 1.000 ; 526 1 545 53 parsed_2kqa 1 17 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 102 and name C ) ( resid 103 and name HN ) -11.274 1.000 ; 575 1 580 53 parsed_2kqa 1 18 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 104 and name C ) ( resid 105 and name HN ) -1.064 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 105 and name C ) ( resid 106 and name HN ) -5.281 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 106 and name C ) ( resid 107 and name HN ) -4.080 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 107 and name C ) ( resid 108 and name HN ) 4.460 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 108 and name C ) ( resid 109 and name HN ) -2.805 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 109 and name C ) ( resid 110 and name HN ) -9.978 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 110 and name C ) ( resid 111 and name HN ) -0.717 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 111 and name C ) ( resid 112 and name HN ) xxx 1.000 ; 589 1 643 49 parsed_2kqa 1 19 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 114 and name C ) ( resid 115 and name HN ) 5.625 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 115 and name C ) ( resid 116 and name HN ) -10.422 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 116 and name C ) ( resid 117 and name HN ) -5.200 1.000! ; 659 1 678 54 parsed_2kqa 1 20 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 118 and name C ) ( resid 119 and name HN ) -12.598 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 119 and name C ) ( resid 120 and name HN ) xxx 1.000 ; 687 1 699 50 parsed_2kqa 1 21 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 121 and name C ) ( resid 122 and name HN ) 5.182 1.000 ; 708 1 713 52 parsed_2kqa 1 22 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 123 and name C ) ( resid 124 and name HN ) -13.293 1.000 ; 722 1 727 53 parsed_2kqa 1 23 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 125 and name C ) ( resid 126 and name HN ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 126 and name C ) ( resid 127 and name HN ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 127 and name C ) ( resid 128 and name HN ) -3.376 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 128 and name C ) ( resid 129 and name HN ) 3.295 1.000 ; 736 1 762 52 parsed_2kqa 1 24 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 16 and name HA ) ( resid 16 and name CA ) 11.838 1.000 ; 806 1 811 53 parsed_2kqa 1 25 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 24 and name HA ) ( resid 24 and name CA ) -12.230 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 25 and name HA1 ) ( resid 25 and name CA ) -6.947 1.000 ; 863 1 876 2 parsed_2kqa 1 26 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 28 and name HA ) ( resid 28 and name CA ) 6.692 1.000 ; 891 1 896 51 parsed_2kqa 1 27 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 30 and name HA ) ( resid 30 and name CA ) 5.7901 1.000 ; 905 1 910 52 parsed_2kqa 1 28 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 34 and name HA ) ( resid 34 and name CA ) 20.643 1.000 ; 926 1 932 2 parsed_2kqa 1 29 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 37 and name HA ) ( resid 37 and name CA ) -2.8 1.000 ; 940 1 945 51 parsed_2kqa 1 30 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 44 and name HA1 ) ( resid 44 and name CA ) -9.034 1.000 ; 982 1 988 2 parsed_2kqa 1 31 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 46 and name HA ) ( resid 46 and name CA ) 6.9 1.000 ; 996 1 1001 49 parsed_2kqa 1 32 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 48 and name HA1 ) ( resid 48 and name CA ) 4.837 1.000 ; 1010 1 1016 2 parsed_2kqa 1 33 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 50 and name HA ) ( resid 50 and name CA ) 3.802 1.000 ; 1024 1 1029 53 parsed_2kqa 1 34 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 54 and name HA1 ) ( resid 54 and name CA ) 0.469 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 55 and name HA ) ( resid 55 and name CA ) 9.7 1.000 ; 1038 1 1050 48 parsed_2kqa 1 35 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 59 and name HA ) ( resid 59 and name CA ) -4.116 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 60 and name HA1 ) ( resid 60 and name CA ) 5.041 1.000 ; 1073 1 1086 2 parsed_2kqa 1 36 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 67 and name HA1 ) ( resid 67 and name CA ) 2.813 1.000 ; 1115 1 1120 53 parsed_2kqa 1 37 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 70 and name HA ) ( resid 70 and name CA ) -3.275 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 71 and name HA ) ( resid 71 and name CA ) -9.069 1.000 ; 1136 1 1148 50 parsed_2kqa 1 38 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 76 and name HA ) ( resid 76 and name CA ) -7.212 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 77 and name HA1 ) ( resid 77 and name CA ) 4.940 1.000 ; 1178 1 1191 2 parsed_2kqa 1 39 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 82 and name HA ) ( resid 82 and name CA ) -4.876 1.000 ; 1220 1 1225 50 parsed_2kqa 1 40 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 84 and name HA1 ) ( resid 84 and name CA ) -4.083 1.000 ; 1234 1 1240 2 parsed_2kqa 1 41 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 87 and name HA ) ( resid 87 and name CA ) -0.967 1.000 ; 1255 1 1260 51 parsed_2kqa 1 42 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 90 and name HA1 ) ( resid 90 and name CA ) 1.519 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 91 and name HA1 ) ( resid 91 and name CA ) -6.327 1.000 ; 1269 1 1281 52 parsed_2kqa 1 43 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 104 and name HA1 ) ( resid 104 and name CA ) -8.641 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 111 and name HA ) ( resid 111 and name CA ) -6.244 1.000 ; 1360 1 1374 2 parsed_2kqa 1 44 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 117 and name HA ) ( resid 117 and name CA ) 5.407 1.000 ; 1410 1 1415 51 parsed_2kqa 1 45 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 122 and name HA ) ( resid 122 and name CA ) -6.187 1.000 ; 1439 1 1444 52 parsed_2kqa 1 46 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 126 and name HA ) ( resid 126 and name CA ) -5.167 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 127 and name HA1 ) ( resid 127 and name CA ) 4.622 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 128 and name HA ) ( resid 128 and name CA ) 1.081 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 129 and name HA ) ( resid 129 and name CA ) 0.367 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 2 and name C ) ( resid 3 and name N ) -3.006 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 3 and name C ) ( resid 4 and name N ) -0.309 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 4 and name C ) ( resid 5 and name N ) -2.420 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 5 and name C ) ( resid 6 and name N ) 5.797 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 6 and name C ) ( resid 7 and name N ) 3.149 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 7 and name C ) ( resid 8 and name N ) -8.114 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 8 and name C ) ( resid 9 and name N ) 5.587 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 9 and name C ) ( resid 10 and name N ) xx 1.000 ; 1467 1 1548 50 parsed_2kqa 1 47 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 22 and name C ) ( resid 23 and name N ) 1.422 1.000 ; 1599 1 1604 50 parsed_2kqa 1 48 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 30 and name C ) ( resid 31 and name N ) -6.302 1.000 ; 1641 1 1646 52 parsed_2kqa 1 49 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 33 and name C ) ( resid 34 and name N ) -8.060 1.000 ; 1662 1 1667 50 parsed_2kqa 1 50 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 35 and name C ) ( resid 36 and name N ) 7.769 1.000 ; 1676 1 1681 51 parsed_2kqa 1 51 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 40 and name C ) ( resid 41 and name N ) xxx 1.000 ; 1711 1 1716 49 parsed_2kqa 1 52 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 42 and name C ) ( resid 43 and name N ) -12.569 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 43 and name C ) ( resid 44 and name N ) 14.729 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 44 and name C ) ( resid 45 and name N ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 45 and name C ) ( resid 46 and name N ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 46 and name C ) ( resid 47 and name N ) xxx 1.000 ; 1725 1 1758 48 parsed_2kqa 1 53 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 48 and name C ) ( resid 49 and name N ) -14.680 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 49 and name C ) ( resid 50 and name N ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 50 and name C ) ( resid 51 and name N ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 51 and name C ) ( resid 52 and name N ) xxx 1.000 ; 1767 1 1793 50 parsed_2kqa 1 54 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 53 and name C ) ( resid 54 and name N ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 54 and name C ) ( resid 55 and name N ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 55 and name C ) ( resid 56 and name N ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 56 and name C ) ( resid 57 and name N ) -6.5 1.000 ; 1802 1 1828 49 parsed_2kqa 1 55 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 58 and name C ) ( resid 59 and name N ) 6.513 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 59 and name C ) ( resid 60 and name N ) -16.908 1.000 ; 1837 1 1849 53 parsed_2kqa 1 56 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 62 and name C ) ( resid 63 and name N ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 63 and name C ) ( resid 64 and name N ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 64 and name C ) ( resid 65 and name N ) -13.753 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 65 and name C ) ( resid 66 and name N ) 8.753 1.000 ; 1865 1 1891 50 parsed_2kqa 1 57 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 67 and name C ) ( resid 68 and name N ) -6.678 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 68 and name C ) ( resid 69 and name N ) 5.900 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 69 and name C ) ( resid 70 and name N ) 7.014 1.000 ; 1900 1 1919 52 parsed_2kqa 1 58 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 73 and name C ) ( resid 74 and name N ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 74 and name C ) ( resid 75 and name N ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 75 and name C ) ( resid 76 and name N ) 10.3 1.000 ; 1942 1 1961 50 parsed_2kqa 1 59 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 80 and name C ) ( resid 81 and name N ) -35.569 1.000 ; 1991 1 1996 54 parsed_2kqa 1 60 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 83 and name C ) ( resid 84 and name N ) xxx 1.000 ; 2012 1 2017 48 parsed_2kqa 1 61 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 89 and name C ) ( resid 90 and name N ) 1.136 1.000 ; 2054 1 2059 51 parsed_2kqa 1 62 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 91 and name C ) ( resid 92 and name N ) 5.511 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 92 and name C ) ( resid 93 and name N ) -2.071 1.000 ; 2068 1 2080 52 parsed_2kqa 1 63 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 95 and name C ) ( resid 96 and name N ) xxx 1.000 ; 2096 1 2101 49 parsed_2kqa 1 64 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 97 and name C ) ( resid 98 and name N ) -12.989 1.000 ; 2110 1 2115 53 parsed_2kqa 1 65 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 102 and name C ) ( resid 103 and name N ) -11.853 1.000 ; 2145 1 2150 54 parsed_2kqa 1 66 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 104 and name C ) ( resid 105 and name N ) 25.348 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 105 and name C ) ( resid 106 and name N ) -0.380 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 106 and name C ) ( resid 107 and name N ) -22.606 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 107 and name C ) ( resid 108 and name N ) 6.553 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 108 and name C ) ( resid 109 and name N ) -6.893 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 109 and name C ) ( resid 110 and name N ) -9.733 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 110 and name C ) ( resid 111 and name N ) 5.180 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 111 and name C ) ( resid 112 and name N ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 112 and name C ) ( resid 113 and name N ) -7.081 1.000 ; 2159 1 2220 51 parsed_2kqa 1 67 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 114 and name C ) ( resid 115 and name N ) 12.095 1.000 ; 2229 1 2234 53 parsed_2kqa 1 68 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 118 and name C ) ( resid 119 and name N ) -30.720 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 119 and name C ) ( resid 120 and name N ) xxx 1.000 ; 2257 1 2269 50 parsed_2kqa 1 69 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 123 and name C ) ( resid 124 and name N ) 4.826 1.000 ; 2292 1 2297 52 parsed_2kqa 1 70 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 125 and name C ) ( resid 126 and name N ) xxx 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 126 and name C ) ( resid 127 and name N ) 0.059 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 127 and name C ) ( resid 128 and name N ) -3.507 1.000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 128 and name C ) ( resid 129 and name N ) 1.673 1.000 MONOMER A ; 2306 1 2334 11 parsed_2kqa 1 71 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 51 and name N ) ( resid 51 and name HN ) 3.4379 1.0000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 52 and name N ) ( resid 52 and name HN ) -4.5 1.0000 ; 2553 1 2565 55 parsed_2kqa 1 72 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 68 and name N ) ( resid 68 and name HN ) 6.4801 1.0000 ; 2644 1 2649 60 parsed_2kqa 1 73 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 74 and name N ) ( resid 74 and name HN ) 7.3682 1.0000 ; 2686 1 2691 58 parsed_2kqa 1 74 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 80 and name N ) ( resid 80 and name HN ) 5.1200 1.0000 ; 2721 1 2726 58 parsed_2kqa 1 75 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 89 and name N ) ( resid 89 and name HN ) -6.1456 1.0000 ; 2784 1 2789 59 parsed_2kqa 1 76 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 93 and name N ) ( resid 93 and name HN ) -1.5982 1.0000 ; 2812 1 2817 58 parsed_2kqa 1 77 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 111 and name N ) ( resid 111 and name HN ) -4.7390 1.0000 ; 2889 1 2895 2 parsed_2kqa 1 78 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 119 and name N ) ( resid 119 and name HN ) 2.1665 1.0000 ; 2945 1 2950 53 parsed_2kqa 1 79 ; assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 127 and name N ) ( resid 127 and name HN ) 1.5403 1.0000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 128 and name N ) ( resid 128 and name HN ) -0.30741 1.0000 assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 129 and name N ) ( resid 129 and name HN ) 2.8192 1.0000 ; 2987 1 3006 52 parsed_2kqa 1 stop_ save_
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