Ncbi-mime-asn1 ::= alignstruc { master { id { mmdb-id -112 } , descr { name "VS13" , history { data-source { name-of-database "Protein Data Bank" , version-of-database release-date std { year 2000 , month 12 , day 27 } , database-entry-id other-database { db "PDB" , tag str "VS13" } , database-entry-date std { year 0 } } } , attribution sub { authors { names str { "karina" } } , imp { date std { year 0 } } } } , chemical-graph { descr { name "" , pdb-class "Query Protein" , pdb-source "NA" , assembly-type other } , molecule-graphs { { id 1 , descr { name " " , molecule-type protein } , seq-id local str "VS13 0" , residue-sequence { { id 1 , name " 6 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 51 } } , { id 2 , name " 7 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 28 } } , { id 3 , name " 8 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 55 } } , { id 4 , name " 9 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 19 } } , { id 5 , name " 10 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 6 , name " 11 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 7 , name " 12 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 8 , name " 13 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 9 , name " 14 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 19 } } , { id 10 , name " 15 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 7 } } , { id 11 , name " 16 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 12 , name " 17 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 37 } } , { id 13 , name " 18 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 14 , name " 19 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 15 , name " 20 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 16 , name " 21 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 58 } } , { id 17 , name " 22 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 43 } } , { id 18 , name " 23 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 19 , name " 24 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 40 } } , { id 20 , name " 25 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 55 } } , { id 21 , name " 26 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 22 , name " 27 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 23 , name " 28 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 58 } } , { id 24 , name " 29 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 25 , name " 30 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 26 , name " 31 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 10 } } , { id 27 , name " 32 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 19 } } , { id 28 , name " 33 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 4 } } , { id 29 , name " 34 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 58 } } , { id 30 , name " 35 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 31 , name " 36 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 25 } } , { id 32 , name " 37 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 40 } } , { id 33 , name " 38 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 40 } } , { id 34 , name " 39 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 35 , name " 40 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 7 } } , { id 36 , name " 41 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 49 } } , { id 37 , name " 42 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 10 } } , { id 38 , name " 43 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 37 } } , { id 39 , name " 44 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 10 } } , { id 40 , name " 45 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 25 } } , { id 41 , name " 46 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 16 } } , { id 42 , name " 47 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 49 } } , { id 43 , name " 48 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 44 , name " 49 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 16 } } , { id 45 , name " 50 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 16 } } , { id 46 , name " 51 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 49 } } , { id 47 , name " 52 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 10 } } , { id 48 , name " 53 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 40 } } , { id 49 , name " 54 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 50 , name " 55 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 49 } } , { id 51 , name " 56 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 37 } } , { id 52 , name " 57 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 53 , name " 58 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 54 , name " 59 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 55 , name " 60 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 56 , name " 61 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 43 } } , { id 57 , name " 62 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 7 } } , { id 58 , name " 63 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 25 } } , { id 59 , name " 64 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 55 } } , { id 60 , name " 65 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 61 , name " 66 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 62 , name " 67 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 63 , name " 68 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 7 } } , { id 64 , name " 69 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 37 } } , { id 65 , name " 70 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 49 } } , { id 66 , name " 71 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 19 } } , { id 67 , name " 72 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 68 , name " 73 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 25 } } , { id 69 , name " 74 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 70 , name " 75 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 71 , name " 76 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 37 } } , { id 72 , name " 77 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 7 } } , { id 73 , name " 78 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 74 , name " 79 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 16 } } , { id 75 , name " 80 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 7 } } , { id 76 , name " 81 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 77 , name " 82 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 25 } } , { id 78 , name " 83 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 40 } } , { id 79 , name " 84 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 10 } } , { id 80 , name " 85 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 81 , name " 86 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 28 } } , { id 82 , name " 87 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 28 } } , { id 83 , name " 88 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 19 } } , { id 84 , name " 89 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 7 } } , { id 85 , name " 90 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 86 , name " 91 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 87 , name " 92 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 88 , name " 93 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 49 } } , { id 89 , name " 94 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 90 , name " 95 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 91 , name " 96 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 19 } } , { id 92 , name " 97 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 93 , name " 98 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 94 , name " 99 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 58 } } , { id 95 , name " 100 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 49 } } , { id 96 , name " 101 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 10 } } , { id 97 , name " 102 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 98 , name " 103 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 58 } } , { id 99 , name " 104 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 28 } } , { id 100 , name " 105 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 7 } } , { id 101 , name " 106 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 19 } } , { id 102 , name " 107 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 103 , name " 108 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 104 , name " 109 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 105 , name " 110 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 58 } } , { id 106 , name " 111 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 28 } } , { id 107 , name " 112 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 19 } } , { id 108 , name " 113 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 25 } } , { id 109 , name " 114 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 49 } } , { id 110 , name " 115 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 4 } } , { id 111 , name " 116 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 112 , name " 117 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 10 } } , { id 113 , name " 118 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 37 } } , { id 114 , name " 119 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 115 , name " 120 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 116 , name " 121 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 35 } } } , inter-residue-bonds { { atom-id-1 { molecule-id 1 , residue-id 1 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 2 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 2 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 3 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 3 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 4 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 4 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 5 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 5 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 6 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 6 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 7 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 7 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 8 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 8 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 9 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 9 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 10 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 10 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 11 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 11 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 12 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 12 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 13 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 13 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 14 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 14 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 15 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 15 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 16 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 16 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 17 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 17 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 18 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 18 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 19 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 19 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 20 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 20 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 21 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 21 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 22 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 22 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 23 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 23 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 24 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 24 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 25 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 25 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 26 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 26 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 27 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 27 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 28 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 28 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 29 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 29 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 30 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 30 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 31 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 31 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 32 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 32 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 33 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 33 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 34 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 34 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 35 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 35 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 36 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 36 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 37 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 37 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 38 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 38 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 39 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 39 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 40 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 40 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 41 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 41 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 42 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 42 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 43 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 43 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 44 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 44 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 45 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 45 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 46 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 46 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 47 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 47 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 48 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 48 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 49 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 49 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 50 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 50 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 51 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 51 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 52 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 52 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 53 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 53 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 54 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 54 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 55 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 55 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 56 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 56 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 57 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 57 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 58 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 58 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 59 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 59 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 60 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 60 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 61 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 61 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 62 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 62 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 63 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 63 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 64 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 64 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 65 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 65 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 66 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 66 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 67 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 67 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 68 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 68 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 69 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 69 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 70 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 70 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 71 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 71 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 72 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 72 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 73 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 73 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 74 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 74 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 75 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 75 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 76 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 76 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 77 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 77 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 78 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 78 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 79 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 79 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 80 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 80 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 81 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 81 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 82 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 82 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 83 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 83 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 84 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 84 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 85 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 85 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 86 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 86 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 87 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 87 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 88 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 88 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 89 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 89 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 90 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 90 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 91 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 91 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 92 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 92 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 93 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 93 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 94 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 94 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 95 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 95 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 96 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 96 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 97 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 97 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 98 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 98 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 99 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 99 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 100 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 100 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 101 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 101 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 102 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 102 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 103 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 103 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 104 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 104 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 105 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 105 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 106 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 106 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 107 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 107 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 108 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 108 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 109 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 109 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 110 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 110 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 111 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 111 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 112 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 112 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 113 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 113 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 114 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 114 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 115 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 115 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 116 , atom-id 9 } } } } } } , features { { id 1 , descr { name "NCBI assigned secondary structure" } , features { { id 1 , name "helix 1" , type helix , location subgraph residues interval { { molecule-id 1 , from 9 , to 25 } } } , { id 2 , name "helix 2" , type helix , location subgraph residues interval { { molecule-id 1 , from 38 , to 53 } } } , { id 3 , name "helix 3" , type helix , location subgraph residues interval { { molecule-id 1 , from 75 , to 92 } } } , { id 4 , name "helix 4" , type helix , location subgraph residues interval { { molecule-id 1 , from 96 , to 106 } } } } } , { id 0 , features { { type camera , property camera { x 0 , y 0 , distance 233866882 , angle 162291 , scale 1000000 , modelview { scale 1000000 , m11 1000000 , m12 0 , m13 0 , m14 0 , m21 0 , m22 1000000 , m23 0 , m24 0 , m31 0 , m32 0 , m33 1000000 , m34 0 , m41 -9539165 , m42 -25216484 , m43 -2387354 , m44 1000000 } } } } } , { id 0 , descr { name "Global Rendering Settings" } , features { { type other , property user { type str "Cn3D AgorithmicRenderSet Data" , data { { label str "Display Hydrogens" , data str "False" } , { label str "Background Color" , data str "0 0 0" } , { label str "Conservation Color Algorithm" , data str "0" } , { label str "Display Protein Virtual Backbone" , data str "True" } , { label str "Display Protein Partial Backbone" , data str "False" } , { label str "Display Protein Complete Backbone" , data str "False" } , { label str "Display Protein Residues" , data str "False" } , { label str "Protein Backbone Rendering Style" , data str "5" } , { label str "Protein Backbone Color Scheme" , data str "249" } , { label str "Protein Residue Rendering Style" , data str "1" } , { label str "Protein Residue Color Scheme" , data str "249" } , { label str "Protein Backbone Custom Color" , data str "0 0 0" } , { label str "Protein Residue Custom Color" , data str "0 0 0" } , { label str "Protein Label Interval" , data str "1" } , { label str "Protein Label Justification" , data str "32" } , { label str "Protein Label Style" , data str "67" } , { label str "Protein Label Scale" , data str "2" } , { label str "Display Protein Termini Labels" , data str "False" } , { label str "Protein Termini Label Justification" , data str "32" } , { label str "Protein Termini Label Style" , data str "1" } , { label str "Protein Termini Label Scale" , data str "4" } , { label str "Display Nucleotide Virtual Backbone" , data str "False" } , { label str "Display Nucleotide Partial Backbone" , data str "False" } , { label str "Display Nucleotide Complete Backbone" , data str "True" } , { label str "Display Nucleotide Residues" , data str "True" } , { label str "Nucleotide Backbone Rendering Style" , data str "1" } , { label str "Nucleotide Backbone Color Scheme" , data str "225" } , { label str "Nucleotide Residue Rendering Style" , data str "1" } , { label str "Nucleotide Residue Color Scheme" , data str "225" } , { label str "Nucleotide Backbone Custom Color" , data str "0 0 0" } , { label str "Nucleotide Residue Custom Color" , data str "0 0 0" } , { label str "Nucleotide Label Interval" , data str "1" } , { label str "Nucleotide Label Justification" , data str "32" } , { label str "Nucleotide Label Style" , data str "131" } , { label str "Nucleotide Label Scale" , data str "2" } , { label str "Display Nucleotide Termini Labels" , data str "False" } , { label str "Nucleotide Termini Label Justification" , data str "32" } , { label str "Nucleotide Termini Label Style" , data str "1" } , { label str "Nucleotide Termini Label Scale" , data str "4" } , { label str "Display Heterogens" , data str "True" } , { label str "Heterogen Rendering Style" , data str "5" } , { label str "Heterogen Color Scheme" , data str "225" } , { label str "Display Ions" , data str "True" } , { label str "Ion Rendering Style" , data str "2" } , { label str "Ion Color Scheme" , data str "225" } , { label str "Display Ion Labels" , data str "True" } , { label str "Display Connections" , data str "False" } , { label str "Connection Rendering Style" , data str "3" } , { label str "Connection Color Scheme" , data str "9" } , { label str "Display Solvent" , data str "False" } , { label str "Solvent Rendering Style" , data str "4" } , { label str "Solvent Color Scheme" , data str "225" } , { label str "Display 3D Objects" , data str "False" } , { label str "3D Object Color Scheme" , data str "246" } , { label str "3D Object Arrows" , data str "1" } } } } } } } , model { { id 2 , type ncbi-backbone , descr { name "Single-coordinate-per-residue model from PDB entry VS13 with a vector model attached" , pdb-comment " NA NA " } , model-space { coordinate-units angstroms , thermal-factor-units b } , model-coordinates { { id 1 , coordinates literal atomic { number-of-points 116 , atoms { number-of-ptrs 116 , molecule-ids { 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 } , residue-ids { 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , 44 , 45 , 46 , 47 , 48 , 49 , 50 , 51 , 52 , 53 , 54 , 55 , 56 , 57 , 58 , 59 , 60 , 61 , 62 , 63 , 64 , 65 , 66 , 67 , 68 , 69 , 70 , 71 , 72 , 73 , 74 , 75 , 76 , 77 , 78 , 79 , 80 , 81 , 82 , 83 , 84 , 85 , 86 , 87 , 88 , 89 , 90 , 91 , 92 , 93 , 94 , 95 , 96 , 97 , 98 , 99 , 100 , 101 , 102 , 103 , 104 , 105 , 106 , 107 , 108 , 109 , 110 , 111 , 112 , 113 , 114 , 115 , 116 } , atom-ids { 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 } } , sites { scale-factor 1000 , x { 17858 , 17431 , 18835 , 22023 , 22145 , 22039 , 25165 , 23536 , 23242 , 25719 , 24217 , 20675 , 21839 , 23517 , 20378 , 18094 , 20035 , 20382 , 16652 , 15850 , 18176 , 16165 , 12833 , 13724 , 14988 , 11619 , 8887 , 6208 , 6758 , 9182 , 6409 , 5261 , 8578 , 8482 , 8794 , 10356 , 13700 , 15343 , 17960 , 15123 , 13319 , 16432 , 16707 , 13045 , 12846 , 16195 , 14669 , 11456 , 13303 , 15734 , 12662 , 10886 , 14037 , 14521 , 17106 , 17376 , 15160 , 11349 , 9635 , 8256 , 7539 , 4123 , 1990 , 2251 , -1502 , -1603 , 1656 , 354 , -3478 , -3840 , -1151 , -2939 , -686 , -1860 , -689 , 1220 , 3075 , 3801 , 4892 , 7224 , 8620 , 9298 , 11190 , 13348 , 14079 , 14836 , 17309 , 18948 , 19435 , 20831 , 23153 , 24521 , 25559 , 22887 , 22407 , 19196 , 17468 , 18005 , 16889 , 13545 , 13334 , 13919 , 11417 , 8858 , 9083 , 8425 , 5283 , 3580 , 3174 , 1320 , -1983 , -746 , 692 , -1775 , -4952 , -6208 } , y { 18052 , 21369 , 19634 , 18942 , 22475 , 23869 , 21891 , 18741 , 17564 , 19954 , 22991 , 22050 , 21427 , 24919 , 26605 , 24896 , 26004 , 29584 , 29409 , 28404 , 31051 , 33683 , 32129 , 32286 , 35864 , 36957 , 37811 , 37467 , 33664 , 32693 , 31986 , 28973 , 27236 , 27990 , 24270 , 22779 , 20990 , 23195 , 20543 , 18052 , 20720 , 21270 , 17490 , 17041 , 19942 , 19081 , 15622 , 17215 , 19665 , 17011 , 15112 , 18186 , 19305 , 15892 , 14414 , 10566 , 9954 , 10228 , 11781 , 9586 , 12241 , 13747 , 15178 , 18930 , 19569 , 17420 , 18970 , 22580 , 22442 , 22977 , 25700 , 28946 , 30007 , 32707 , 33421 , 36541 , 34328 , 31741 , 34522 , 35811 , 32270 , 32118 , 35399 , 33688 , 30889 , 33394 , 35202 , 31893 , 30814 , 34206 , 34278 , 30869 , 32435 , 30618 , 32401 , 34503 , 32222 , 29073 , 30954 , 31550 , 27943 , 26647 , 29164 , 27955 , 24392 , 25598 , 27491 , 24151 , 23506 , 26803 , 24812 , 22377 , 24954 , 27841 , 27344 , 30895 } , z { -10655 , -8846 , -5711 , -7703 , -9155 , -5601 , -4635 , -3197 , 422 , 1966 , 201 , 1264 , 4794 , 4914 , 3484 , 6006 , 9279 , 7980 , 7169 , 10717 , 12177 , 10268 , 11364 , 15054 , 14749 , 13297 , 15813 , 13082 , 12941 , 15762 , 18317 , 16275 , 17146 , 20908 , 21928 , 18870 , 18675 , 16016 , 15157 , 14511 , 12449 , 10344 , 9757 , 8800 , 6416 , 4776 , 4120 , 2794 , 540 , -737 , -1990 , -3382 , -5197 , -6851 , -4452 , -4663 , -1562 , -1232 , 1840 , 4578 , 7203 , 7933 , 5143 , 5161 , 5716 , 8873 , 10123 , 10047 , 10274 , 14042 , 13965 , 12711 , 9778 , 7370 , 3802 , 5037 , 7503 , 4760 , 2360 , 5122 , 5538 , 1759 , 2196 , 4830 , 2306 , -455 , 1838 , 2921 , -698 , -1751 , 1305 , 254 , -3080 , -5139 , -8519 , -8779 , -11346 , -9232 , -6060 , -7792 , -9046 , -5491 , -4028 , -6612 , -5222 , -1647 , -2758 , -3602 , 150 , 784 , 549 , 3200 , 5653 , 5431 , 7476 , 8113 } } , temperature-factors isotropic { scale-factor 1000 , b { 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 50000 , 50000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 25000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 , 50000 } } , occupancies { scale-factor 1000 , o { 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 } } } } , { id 2 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 9 , to 25 } } , surface cylinder { axis-top { scale-factor 1000 , x 13410 , y 34802 , z 14636 } , axis-bottom { scale-factor 1000 , x 24883 , y 19334 , z -156 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 3 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 38 , to 53 } } , surface cylinder { axis-top { scale-factor 1000 , x 12914 , y 16842 , z -4603 } , axis-bottom { scale-factor 1000 , x 15803 , y 20593 , z 16417 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 4 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 75 , to 92 } } , surface cylinder { axis-top { scale-factor 1000 , x 24353 , y 32577 , z -759 } , axis-bottom { scale-factor 1000 , x -12 , y 34214 , z 6038 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 5 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 96 , to 106 } } , surface cylinder { axis-top { scale-factor 1000 , x 7434 , y 25536 , z -3638 } , axis-bottom { scale-factor 1000 , x 19702 , y 32554 , z -9961 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } } } } } , slaves { { id { mmdb-id 1114 } , descr { name "1HBG" , pdb-comment "remark 3: Refinement. By The Restrained Least Squares Procedure Of J." , pdb-comment "remark 3: Konnert And W. Hendrickson (Program Prolsq). The R" , pdb-comment "remark 3: Value Is 0.146. The Rms Deviation From Ideality Of The" , pdb-comment "remark 3: Bond Lengths Is 0.027 Angstroms. The Rms Deviation From" , pdb-comment "remark 3: Ideality Of The Bond Angle Distances Is 0.038 Angstroms." , pdb-comment "remark 3: The Rms Deviation From Ideality Of The Planar Groups Is" , pdb-comment "remark 3: 0.012 Angstroms. An Occupancy Of 0.01 Denotes An Atom" , pdb-comment "remark 3: That Was Not Observed In The Electron Density Maps." , pdb-comment "remark 4: Error In Atomic Positions Is Estimated To Be 0.13" , pdb-comment "remark 4: Angstroms By The Method Of Luzzati And 0.095 Angstroms By" , pdb-comment "remark 4: The Method Of Cruickshank." , pdb-comment "remark 5: There Are A Number Of Sequence Differences Between The" , pdb-comment "remark 5: Sequence Presented In This Entry And That In Protein" , pdb-comment "remark 5: Identification Resource (Pir) Entry Ggnw1b Which Is Based" , pdb-comment "remark 5: On The Sequence Of T.Imamura,T.O.Baldwin,A.Riggs," , pdb-comment "remark 5: J.Biol.Chem., V. 247, P. 2785 (1972). The Substitution Of" , pdb-comment "remark 5: Ala For Asp At Residue 20 And Phe For His At Residue 34" , pdb-comment "remark 5: Agree With The Partial Sequence Of S.L.Li,A.F.Riggs," , pdb-comment "remark 5: Biochim.Biophys.Acta, V. 236, P. 208 (1971)). Residue 29" , pdb-comment "remark 5: Is Asp In The Sequence Of Imamura Et Al. And Glu In The" , pdb-comment "remark 5: Sequence Of Li And Riggs. Residue 29 Has Been Modeled As" , pdb-comment "remark 5: Lys In This Entry Due To The Absence Of Side Chain" , pdb-comment "remark 5: Branching In The Electron Density Map. Residue 54 Was" , pdb-comment "remark 5: Changed From Ala To Gly And Residue 100 Was Changed From" , pdb-comment "remark 5: Gly To Ala; The Corresponding Negative And Positive" , pdb-comment "remark 5: Difference Electron Density Peaks Immediately Disappeared." , pdb-comment "remark 5: The Substitution Of Ala For Asp At Residue 57 Agrees Well" , pdb-comment "remark 5: With The X-Ray Data But May Not Represent The Truth. The" , pdb-comment "remark 5: Side-Chain Of Residue 57 Is Completely Exposed To The" , pdb-comment "remark 5: Solvent; Therefore It Is Possible That The Cg And Od Atoms" , pdb-comment "remark 5: Are Present But Exist In Too Many Conformations In The" , pdb-comment "remark 5: Crystal For Any Corresponding Electron Density To Be" , pdb-comment "remark 5: Visible. Nevertheless, Ala Was Substituted At Residue 57" , pdb-comment "remark 5: Because There Is No Electron Density To Which The" , pdb-comment "remark 5: Aspartate Atoms Could Be Fitted." , pdb-comment "remark 6: Leucine 31 Shows Equal Weight For Each Of The Three" , pdb-comment "remark 6: Possible Gauche Conformations Of Atoms Cd1 And Cd2. These" , pdb-comment "remark 6: Are Presented As Three Alternate Conformations With An" , pdb-comment "remark 6: Occupancy Of 0.33 Each. Note That Only Three Sets Of" , pdb-comment "remark 6: Coordinates Were Used To Model This Disorder And," , pdb-comment "remark 6: Therefore, The Six Atoms Appear As Three Atoms In A" , pdb-comment "remark 6: Graphical View Of The Entry." , history { data-source { name-of-database "Protein Data Bank" , version-of-database release-date std { year 1994 , month 1 , day 31 } , database-entry-id other-database { db "PDB" , tag str "1HBG" } , database-entry-date std { year 1991 , month 2 , day 11 } } } , attribution sub { authors { names std { { name name { last "Arents" , full "G.A.Arents" , initials "G.A." } } , { name name { last "Braden" , full "B.C.Braden" , initials "B.C." } } , { name name { last "Padlan" , full "E.A.Padlan" , initials "E.A." } } , { name name { last "Love" , full "W.E.Love" , initials "W.E." } } } } , imp { date std { year 1991 , month 2 , day 11 } } } , attribution equiv { muid 90064543 , article { title { name "Glycera dibranchiata hemoglobin. Structure and refinement at 1.5 A resolution." } , authors { names std { { name name { last "Arents" , initials "G." } } , { name name { last "Love" , initials "W.E." } } } , affil str "Thomas C. Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, MD 21218." } , from journal { title { iso-jta "J. Mol. Biol." , ml-jta "J Mol Biol" , issn "0022-2836" , jta "J6V" } , imp { date std { year 1989 , month 11 , day 5 } , volume "210" , issue "1" , pages "149-161" , retract { type in-error , exp "[published erratum appears in J Mol Biol 1990 Oct 5;215(3):473]" } } } } } } , chemical-graph { descr { name "Hemoglobin (Carbon Monoxy)" , pdb-class "Oxygen Transport" , pdb-source "Marine Bloodworm (Glycera dibranchiata)" , assembly-type other } , molecule-graphs { { id 1 , descr { name " " , pdb-comment "SEQRES" , molecule-type protein , organism { org { taxname "Glycera dibranchiata" , db { { db "taxon" , tag id 6350 } } , orgname { name binomial { genus "Glycera" , species "dibranchiata" } , lineage "Eukaryotae; mitochondrial eukaryotes; Metazoa; Annelida; Polychaeta; Phyllodocida; Glyceridae; Glycera" , gcode 1 , mgcode 5 , div "INV" } } } } , seq-id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } , residue-sequence { { id 1 , name " 1 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 24 } } , { id 2 , name " 2 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 3 , name " 3 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 46 } } , { id 4 , name " 4 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 5 , name " 5 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 6 , name " 6 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 16 } } , { id 7 , name " 7 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 4 } } , { id 8 , name " 8 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 16 } } , { id 9 , name " 9 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 58 } } , { id 10 , name " 10 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 28 } } , { id 11 , name " 11 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 12 , name " 12 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 13 , name " 13 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 49 } } , { id 14 , name " 14 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 52 } } , { id 15 , name " 15 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 16 , name " 16 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 10 } } , { id 17 , name " 17 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 28 } } , { id 18 , name " 18 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 19 , name " 19 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 20 , name " 20 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 21 , name " 21 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 10 } } , { id 22 , name " 22 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 7 } } , { id 23 , name " 23 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 24 , name " 24 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 25 , name " 25 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 26 , name " 26 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 58 } } , { id 27 , name " 27 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 28 , name " 28 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 29 , name " 29 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 30 , name " 30 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 13 } } , { id 31 , name " 31 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 32 , name " 32 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 28 } } , { id 33 , name " 33 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 34 , name " 34 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 40 } } , { id 35 , name " 35 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 36 , name " 36 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 46 } } , { id 37 , name " 37 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 38 , name " 38 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 25 } } , { id 39 , name " 39 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 43 } } , { id 40 , name " 40 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 16 } } , { id 41 , name " 41 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 37 } } , { id 42 , name " 42 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 43 , name " 43 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 44 , name " 44 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 58 } } , { id 45 , name " 45 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 40 } } , { id 46 , name " 46 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 47 , name " 47 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 40 } } , { id 48 , name " 48 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 46 } } , { id 49 , name " 49 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 50 , name " 50 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 51 , name " 51 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 46 } } , { id 52 , name " 52 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 10 } } , { id 53 , name " 53 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 43 } } , { id 54 , name " 54 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 55 , name " 55 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 58 } } , { id 56 , name " 56 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 57 , name " 57 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 58 , name " 58 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 59 , name " 59 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 60 , name " 60 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 61 , name " 61 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 62 , name " 62 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 58 } } , { id 63 , name " 63 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 64 , name " 64 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 65 , name " 65 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue 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"Standard residue dictionary" , tag id 1 } , residue-graph-id 46 } } , { id 72 , name " 72 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 25 } } , { id 73 , name " 73 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 74 , name " 74 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 75 , name " 75 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 10 } } , { id 76 , name " 76 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 19 } } , { id 77 , name " 77 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 22 } } , { id 78 , name " 78 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 79 , name " 79 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 37 } } , { id 80 , name " 80 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 58 } } , { id 81 , name " 81 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 82 , name " 82 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 16 } } , { id 83 , name " 83 " , residue-graph standard { 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atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 42 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 42 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 43 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 43 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 44 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 44 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 45 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 45 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 46 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 46 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 47 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 47 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 48 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 48 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 49 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 49 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 50 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 50 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 51 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 51 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 52 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 52 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 53 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 53 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 54 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 54 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 55 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 55 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 56 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 56 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 57 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 57 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 58 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 58 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 59 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 59 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 60 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 60 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 61 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 61 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 62 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 62 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 63 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 63 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 64 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 64 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 65 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 65 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 66 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 66 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 67 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 67 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 68 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 68 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 69 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 69 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 70 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 70 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 71 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 71 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 72 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 72 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 73 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 73 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 74 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 74 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 75 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 75 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 76 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 76 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 77 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 77 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 78 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 78 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 79 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 79 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 80 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 80 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 81 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 81 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 82 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 82 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 83 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 83 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 84 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 84 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 85 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 85 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 86 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 86 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 87 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 87 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 88 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 88 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 89 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 89 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 90 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 90 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 91 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 91 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 92 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 92 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 93 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 93 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 94 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 94 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 95 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 95 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 96 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 96 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 97 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 97 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 98 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 98 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 99 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 99 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 100 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 100 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 101 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 101 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 102 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 102 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 103 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 103 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 104 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 104 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 105 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 105 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 106 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 106 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 107 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 107 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 108 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 108 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 109 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 109 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 110 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 110 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 111 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 111 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 112 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 112 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 113 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 113 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 114 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 114 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 115 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 115 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 116 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 116 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 117 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 117 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 118 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 118 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 119 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 119 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 120 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 120 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 121 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 121 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 122 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 122 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 123 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 123 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 124 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 124 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 125 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 125 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 126 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 126 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 127 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 127 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 128 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 128 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 129 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 129 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 130 , atom-id 20 } } , { atom-id-1 { molecule-id 1 , residue-id 130 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 131 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 131 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 132 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 132 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 133 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 133 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 134 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 134 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 135 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 135 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 136 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 136 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 137 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 137 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 138 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 138 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 139 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 139 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 140 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 140 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 141 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 141 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 142 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 142 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 143 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 143 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 144 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 144 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 145 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 145 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 146 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 146 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 147 , atom-id 7 } } } } , { id 2 , descr { name "1" , molecule-type other-nonpolymer } , residue-sequence { { id 1 , name " 148 " , residue-graph local 1 } } } , { id 3 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 1 " , residue-graph local 2 } } } , { id 4 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 2 " , residue-graph local 2 } } } , { id 5 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 3 " , residue-graph local 2 } } } , { id 6 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 4 " , residue-graph local 2 } } } , { id 7 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 5 " , residue-graph local 2 } } } , { id 8 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 6 " , residue-graph local 2 } } } , { id 9 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 7 " , residue-graph local 2 } } } , { id 10 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 8 " , residue-graph local 2 } } } , { id 11 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 9 " , residue-graph local 2 } } } , { id 12 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 10 " , residue-graph local 2 } } } , { id 13 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 11 " , residue-graph local 2 } } } , { id 14 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 12 " , residue-graph local 2 } } } , { id 15 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 13 " , residue-graph local 2 } } } , { id 16 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 14 " , residue-graph local 2 } } } , { id 17 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 15 " , residue-graph local 2 } } } , { id 18 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 16 " , residue-graph local 2 } } } , { id 19 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 17 " , residue-graph local 2 } } } , { id 20 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 18 " , residue-graph local 2 } } } , { id 21 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 19 " , residue-graph local 2 } } } , { id 22 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 20 " , residue-graph local 2 } } } , { id 23 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 21 " , residue-graph local 2 } } } , { id 24 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 22 " , residue-graph local 2 } } } , { id 25 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 23 " , residue-graph local 2 } } } , { id 26 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 24 " , residue-graph local 2 } } } , { id 27 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 25 " , residue-graph local 2 } } } , { id 28 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 26 " , residue-graph local 2 } } } , { id 29 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 27 " , residue-graph local 2 } } } , { id 30 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 28 " , residue-graph local 2 } } } , { id 31 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 29 " , residue-graph local 2 } } } , { id 32 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 30 " , residue-graph local 2 } } } , { id 33 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 31 " , residue-graph local 2 } } } , { id 34 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 32 " , residue-graph local 2 } } } , { id 35 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 33 " , residue-graph local 2 } } } , { id 36 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 34 " , residue-graph local 2 } } } , { id 37 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 35 " , residue-graph local 2 } } } , { id 38 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 36 " , residue-graph local 2 } } } , { id 39 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 37 " , residue-graph local 2 } } } , { id 40 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 38 " , residue-graph local 2 } } } , { id 41 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 39 " , residue-graph local 2 } } } , { id 42 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 40 " , residue-graph local 2 } } } , { id 43 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 41 " , residue-graph local 2 } } } , { id 44 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 42 " , residue-graph local 2 } } } , { id 45 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 43 " , residue-graph local 2 } } } , { id 46 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 44 " , residue-graph local 2 } } } , { id 47 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 45 " , residue-graph local 2 } } } , { id 48 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 46 " , residue-graph local 2 } } } , { id 49 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 47 " , residue-graph local 2 } } } , { id 50 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 48 " , residue-graph local 2 } } } , { id 51 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 49 " , residue-graph local 2 } } } , { id 52 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 50 " , residue-graph local 2 } } } , { id 53 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 51 " , residue-graph local 2 } } } , { id 54 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 52 " , residue-graph local 2 } } } , { id 55 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 53 " , residue-graph local 2 } } } , { id 56 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 54 " , residue-graph local 2 } } } , { id 57 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 55 " , residue-graph local 2 } } } , { id 58 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 56 " , residue-graph local 2 } } } , { id 59 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 57 " , residue-graph local 2 } } } , { id 60 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 58 " , residue-graph local 2 } } } , { id 61 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 59 " , residue-graph local 2 } } } , { id 62 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 60 " , residue-graph local 2 } } } , { id 63 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 61 " , residue-graph local 2 } } } , { id 64 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 62 " , residue-graph local 2 } } } , { id 65 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 63 " , residue-graph local 2 } } } , { id 66 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 64 " , residue-graph local 2 } } } , { id 67 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 65 " , residue-graph local 2 } } } , { id 68 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 66 " , residue-graph local 2 } } } , { id 69 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 67 " , residue-graph local 2 } } } , { id 70 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 68 " , residue-graph local 2 } } } , { id 71 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 69 " , residue-graph local 2 } } } , { id 72 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 70 " , residue-graph local 2 } } } , { id 73 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 71 " , residue-graph local 2 } } } , { id 74 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 72 " , residue-graph local 2 } } } , { id 75 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 73 " , residue-graph local 2 } } } , { id 76 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 74 " , residue-graph local 2 } } } , { id 77 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 75 " , residue-graph local 2 } } } , { id 78 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 76 " , residue-graph local 2 } } } , { id 79 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 77 " , residue-graph local 2 } } } , { id 80 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 78 " , residue-graph local 2 } } } , { id 81 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 79 " , residue-graph local 2 } } } , { id 82 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 80 " , residue-graph local 2 } } } , { id 83 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 81 " , residue-graph local 2 } } } , { id 84 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 82 " , residue-graph local 2 } } } , { id 85 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 83 " , residue-graph local 2 } } } , { id 86 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 84 " , residue-graph local 2 } } } , { id 87 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 85 " , residue-graph local 2 } } } , { id 88 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 86 " , residue-graph local 2 } } } , { id 89 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 87 " , residue-graph local 2 } } } , { id 90 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 88 " , residue-graph local 2 } } } , { id 91 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 89 " , residue-graph local 2 } } } , { id 92 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 90 " , residue-graph local 2 } } } , { id 93 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 91 " , residue-graph local 2 } } } , { id 94 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 92 " , residue-graph local 2 } } } , { id 95 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 93 " , residue-graph local 2 } } } , { id 96 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 94 " , residue-graph local 2 } } } , { id 97 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 95 " , residue-graph local 2 } } } , { id 98 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 96 " , residue-graph local 2 } } } , { id 99 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 97 " , residue-graph local 2 } } } , { id 100 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 98 " , residue-graph local 2 } } } , { id 101 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 99 " , residue-graph local 2 } } } , { id 102 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 100 " , residue-graph local 2 } } } , { id 103 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 101 " , residue-graph local 2 } } } , { id 104 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 102 " , residue-graph local 2 } } } , { id 105 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 103 " , residue-graph local 2 } } } , { id 106 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 104 " , residue-graph local 2 } } } , { id 107 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 105 " , residue-graph local 2 } } } , { id 108 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 106 " , residue-graph local 2 } } } , { id 109 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 107 " , residue-graph local 2 } } } , { id 110 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 108 " , residue-graph local 2 } } } , { id 111 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 109 " , residue-graph local 2 } } } , { id 112 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 110 " , residue-graph local 2 } } } , { id 113 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 111 " , residue-graph local 2 } } } , { id 114 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 112 " , residue-graph local 2 } } } , { id 115 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 113 " , residue-graph local 2 } } } , { id 116 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 114 " , residue-graph local 2 } } } , { id 117 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 115 " , residue-graph local 2 } } } , { id 118 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 116 " , residue-graph local 2 } } } , { id 119 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 117 " , residue-graph local 2 } } } , { id 120 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 118 " , residue-graph local 2 } } } , { id 121 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 119 " , residue-graph local 2 } } } , { id 122 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 120 " , residue-graph local 2 } } } , { id 123 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 121 " , residue-graph local 2 } } } , { id 124 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 122 " , residue-graph local 2 } } } , { id 125 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 123 " , residue-graph local 2 } } } , { id 126 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 124 " , residue-graph local 2 } } } , { id 127 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 125 " , residue-graph local 2 } } } , { id 128 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 126 " , residue-graph local 2 } } } , { id 129 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 127 " , residue-graph local 2 } } } , { id 130 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 128 " , residue-graph local 2 } } } , { id 131 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 129 " , residue-graph local 2 } } } , { id 132 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 130 " , residue-graph local 2 } } } , { id 133 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 131 " , residue-graph local 2 } } } , { id 134 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 132 " , residue-graph local 2 } } } , { id 135 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 133 " , residue-graph local 2 } } } , { id 136 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 134 " , residue-graph local 2 } } } , { id 137 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 135 " , residue-graph local 2 } } } , { id 138 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 136 " , residue-graph local 2 } } } , { id 139 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 137 " , residue-graph local 2 } } } , { id 140 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 138 " , residue-graph local 2 } } } , { id 141 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 139 " , residue-graph local 2 } } } , { id 142 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 140 " , residue-graph local 2 } } } , { id 143 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 141 " , residue-graph local 2 } } } , { id 144 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 142 " , residue-graph local 2 } } } , { id 145 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 143 " , residue-graph local 2 } } } , { id 146 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 144 " , residue-graph local 2 } } } , { id 147 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 145 " , residue-graph local 2 } } } , { id 148 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 146 " , residue-graph local 2 } } } , { id 149 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 147 " , residue-graph local 2 } } } , { id 150 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 148 " , residue-graph local 2 } } } , { id 151 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 149 " , residue-graph local 2 } } } , { id 152 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 150 " , residue-graph local 2 } } } , { id 153 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 151 " , residue-graph local 2 } } } , { id 154 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 152 " , residue-graph local 2 } } } , { id 155 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 153 " , residue-graph local 2 } } } , { id 156 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 154 " , residue-graph local 2 } } } , { id 157 , descr { name "1" , molecule-type solvent } , residue-sequence { { id 1 , name " 155 " , residue-graph local 2 } } } } , inter-molecule-bonds { { atom-id-1 { molecule-id 1 , residue-id 90 , atom-id 15 } , atom-id-2 { molecule-id 2 , residue-id 1 , atom-id 1 } } } , residue-graphs { { id 1 , descr { name "HEM" , pdb-comment "Protoporphyrin Ix" } , residue-type other , iupac-code { "X" } , atoms { { id 1 , name "FE " , iupac-code { "FE " } , element fe } , { id 2 , name " CHA" , iupac-code { " CHA" } , element c } , { id 3 , name " CHB" , iupac-code { " CHB" } , element c } , { id 4 , name " CHC" , iupac-code { " CHC" } , element c } , { id 5 , name " CHD" , iupac-code { " CHD" } , element c } , { id 6 , name " N A" , iupac-code { " N A" } , element n } , { id 7 , name " C1A" , iupac-code { " C1A" } , element c } , { id 8 , name " C2A" , iupac-code { " C2A" } , element c } , { id 9 , name " C3A" , iupac-code { " C3A" } , element c } , { id 10 , name " C4A" , iupac-code { " C4A" } , element c } , { id 11 , name " CMA" , iupac-code { " CMA" } , element c } , { id 12 , name " CAA" , iupac-code { " CAA" } , element c } , { id 13 , name " CBA" , iupac-code { " CBA" } , element c } , { id 14 , name " CGA" , iupac-code { " CGA" } , element c } , { id 15 , name " O1A" , iupac-code { " O1A" } , element o } , { id 16 , name " O2A" , iupac-code { " O2A" } , element o } , { id 17 , name " N B" , iupac-code { " N B" } , element n } , { id 18 , name " C1B" , iupac-code { " C1B" } , element c } , { id 19 , name " C2B" , iupac-code { " C2B" } , element c } , { id 20 , name " C3B" , iupac-code { " C3B" } , element c } , { id 21 , name " C4B" , iupac-code { " C4B" } , element c } , { id 22 , name " CMB" , iupac-code { " CMB" } , element c } , { id 23 , name " CAB" , iupac-code { " CAB" } , element c } , { id 24 , name " CBB" , iupac-code { " CBB" } , element c } , { id 25 , name " N C" , iupac-code { " N C" } , element n } , { id 26 , name " C1C" , iupac-code { " C1C" } , element c } , { id 27 , name " C2C" , iupac-code { " C2C" } , element c } , { id 28 , name " C3C" , iupac-code { " C3C" } , element c } , { id 29 , name " C4C" , iupac-code { " C4C" } , element c } , { id 30 , name " CMC" , iupac-code { " CMC" } , element c } , { id 31 , name " CAC" , iupac-code { " CAC" } , element c } , { id 32 , name " CBC" , iupac-code { " CBC" } , element c } , { id 33 , name " N D" , iupac-code { " N D" } , element n } , { id 34 , name " C1D" , iupac-code { " C1D" } , element c } , { id 35 , name " C2D" , iupac-code { " C2D" } , element c } , { id 36 , name " C3D" , iupac-code { " C3D" } , element c } , { id 37 , name " C4D" , iupac-code { " C4D" } , element c } , { id 38 , name " CMD" , iupac-code { " CMD" } , element c } , { id 39 , name " CAD" , iupac-code { " CAD" } , element c } , { id 40 , name " CBD" , iupac-code { " CBD" } , element c } , { id 41 , name " CGD" , iupac-code { " CGD" } , element c } , { id 42 , name " O1D" , iupac-code { " O1D" } , element o } , { id 43 , name " O2D" , iupac-code { " O2D" } , element o } , { id 44 , name " C " , iupac-code { " C " } , element c } , { id 45 , name " O " , iupac-code { " O " } , element o } } , bonds { { atom-id-1 1 , atom-id-2 6 , bond-order unknown } , { atom-id-1 1 , atom-id-2 17 , bond-order unknown } , { atom-id-1 1 , atom-id-2 25 , bond-order unknown } , { atom-id-1 1 , atom-id-2 33 , bond-order unknown } , { atom-id-1 1 , atom-id-2 44 , bond-order unknown } , { atom-id-1 2 , atom-id-2 7 , bond-order unknown } , { atom-id-1 2 , atom-id-2 37 , bond-order unknown } , { atom-id-1 3 , atom-id-2 10 , bond-order unknown } , { atom-id-1 3 , atom-id-2 18 , bond-order unknown } , { atom-id-1 4 , atom-id-2 21 , bond-order unknown } , { atom-id-1 4 , atom-id-2 26 , bond-order unknown } , { atom-id-1 5 , atom-id-2 29 , bond-order unknown } , { atom-id-1 5 , atom-id-2 34 , bond-order unknown } , { atom-id-1 6 , atom-id-2 7 , bond-order unknown } , { atom-id-1 6 , atom-id-2 10 , bond-order unknown } , { atom-id-1 7 , atom-id-2 8 , bond-order unknown } , { atom-id-1 8 , atom-id-2 9 , bond-order unknown } , { atom-id-1 8 , atom-id-2 12 , bond-order unknown } , { atom-id-1 9 , atom-id-2 10 , bond-order unknown } , { atom-id-1 9 , atom-id-2 11 , bond-order unknown } , { atom-id-1 12 , atom-id-2 13 , bond-order unknown } , { atom-id-1 13 , atom-id-2 14 , bond-order unknown } , { atom-id-1 14 , atom-id-2 15 , bond-order unknown } , { atom-id-1 14 , atom-id-2 16 , bond-order unknown } , { atom-id-1 17 , atom-id-2 18 , bond-order unknown } , { atom-id-1 17 , atom-id-2 21 , bond-order unknown } , { atom-id-1 18 , atom-id-2 19 , bond-order unknown } , { atom-id-1 19 , atom-id-2 20 , bond-order unknown } , { atom-id-1 19 , atom-id-2 22 , bond-order unknown } , { atom-id-1 20 , atom-id-2 21 , bond-order unknown } , { atom-id-1 20 , atom-id-2 23 , bond-order unknown } , { atom-id-1 23 , atom-id-2 24 , bond-order unknown } , { atom-id-1 25 , atom-id-2 26 , bond-order unknown } , { atom-id-1 25 , atom-id-2 29 , bond-order unknown } , { atom-id-1 26 , atom-id-2 27 , bond-order unknown } , { atom-id-1 27 , atom-id-2 28 , bond-order unknown } , { atom-id-1 27 , atom-id-2 30 , bond-order unknown } , { atom-id-1 28 , atom-id-2 29 , bond-order unknown } , { atom-id-1 28 , atom-id-2 31 , bond-order unknown } , { atom-id-1 31 , atom-id-2 32 , bond-order unknown } , { atom-id-1 33 , atom-id-2 34 , bond-order unknown } , { atom-id-1 33 , atom-id-2 37 , bond-order unknown } , { atom-id-1 34 , atom-id-2 35 , bond-order unknown } , { atom-id-1 35 , atom-id-2 36 , bond-order unknown } , { atom-id-1 35 , atom-id-2 38 , bond-order unknown } , { atom-id-1 36 , atom-id-2 37 , bond-order unknown } , { atom-id-1 36 , atom-id-2 39 , bond-order unknown } , { atom-id-1 39 , atom-id-2 40 , bond-order unknown } , { atom-id-1 40 , atom-id-2 41 , bond-order unknown } , { atom-id-1 41 , atom-id-2 42 , bond-order unknown } , { atom-id-1 41 , atom-id-2 43 , bond-order unknown } , { atom-id-1 44 , atom-id-2 45 , bond-order unknown } } } , { id 2 , descr { name "HOH" , pdb-comment "" } , residue-type other , iupac-code { "X" } , atoms { { id 1 , name " O " , iupac-code { " O " } , element o } } , bonds { } } } } , features { { id 1 , descr { name "PDB secondary structure" } , features { { id 1 , name " HA" , type helix , location subgraph residues interval { { molecule-id 1 , from 3 , to 18 } } } , { id 2 , name " HB" , type helix , location subgraph residues interval { { molecule-id 1 , from 23 , to 37 } } } , { id 3 , name " HC" , type helix , location subgraph residues interval { { molecule-id 1 , from 39 , to 46 } } } , { id 4 , name " HE" , type helix , location subgraph residues interval { { molecule-id 1 , from 53 , to 72 } } } , { id 5 , name " HF" , type helix , location subgraph residues interval { { molecule-id 1 , from 76 , to 92 } } } , { id 6 , name " HG" , type helix , location subgraph residues interval { { molecule-id 1 , from 100 , to 119 } } } , { id 7 , name " HH" , type helix , location subgraph residues interval { { molecule-id 1 , from 124 , to 147 } } } , { id 8 , name " AB" , type turn , location subgraph residues interval { { molecule-id 1 , from 21 , to 24 } } } , { id 9 , name " EF" , type turn , location subgraph residues interval { { molecule-id 1 , from 72 , to 75 } } } } } , { id 2 , descr { name "NCBI assigned secondary structure" } , features { { id 1 , name "helix 1" , type helix , location subgraph residues interval { { molecule-id 1 , from 4 , to 13 } } } , { id 2 , name "helix 2" , type helix , location subgraph residues interval { { molecule-id 1 , from 24 , to 38 } } } , { id 3 , name "helix 3" , type helix , location subgraph residues interval { { molecule-id 1 , from 55 , to 72 } } } , { id 4 , name "helix 4" , type helix , location subgraph residues interval { { molecule-id 1 , from 76 , to 90 } } } , { id 5 , name "helix 5" , type helix , location subgraph residues interval { { molecule-id 1 , from 104 , to 118 } } } , { id 6 , name "helix 6" , type helix , location subgraph residues interval { { molecule-id 1 , from 124 , to 146 } } } } } , { id 3 , descr { name "PDB FOOTNOTE" } , features { { id 1 , name "Seven Residues Have Their Side Chains Modeled In More Than One Conformation. They Are Leu 31, Met 79, Lys 84, Asn 95, Ser 109, Ser 112, And Ser 143. Also See Remark 6 Above." , type footnote , location subgraph atoms { number-of-ptrs 51 , molecule-ids { 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 } , residue-ids { 31 , 31 , 31 , 31 , 31 , 31 , 31 , 31 , 79 , 79 , 79 , 79 , 79 , 79 , 79 , 79 , 84 , 84 , 84 , 84 , 84 , 84 , 84 , 84 , 84 , 95 , 95 , 95 , 95 , 95 , 95 , 95 , 95 , 109 , 109 , 109 , 109 , 109 , 109 , 112 , 112 , 112 , 112 , 112 , 112 , 143 , 143 , 143 , 143 , 143 , 143 } , atom-ids { 10 , 2 , 1 , 11 , 3 , 6 , 4 , 5 , 8 , 2 , 1 , 9 , 3 , 5 , 10 , 4 , 9 , 2 , 1 , 11 , 3 , 6 , 4 , 5 , 10 , 7 , 2 , 1 , 9 , 3 , 4 , 10 , 8 , 7 , 2 , 1 , 8 , 3 , 9 , 7 , 2 , 1 , 8 , 3 , 9 , 7 , 2 , 1 , 8 , 3 , 9 } } } } } } , model { { id 2 , type ncbi-backbone , descr { name "Single-coordinate-per-residue model from PDB entry 1HBG with a vector model attached" , pdb-reso "Resolution: 1.5" , pdb-method "X-Ray Diffraction" , pdb-comment "JUL 15 92 Initial Entry" } , model-space { coordinate-units angstroms , thermal-factor-units b , occupancy-factor-units fractional } , model-coordinates { { id 1 , coordinates literal atomic { number-of-points 347 , atoms { number-of-ptrs 347 , molecule-ids { 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , 44 , 45 , 46 , 47 , 48 , 49 , 50 , 51 , 52 , 53 , 54 , 55 , 56 , 57 , 58 , 59 , 60 , 61 , 62 , 63 , 64 , 65 , 66 , 67 , 68 , 69 , 70 , 71 , 72 , 73 , 74 , 75 , 76 , 77 , 78 , 79 , 80 , 81 , 82 , 83 , 84 , 85 , 86 , 87 , 88 , 89 , 90 , 91 , 92 , 93 , 94 , 95 , 96 , 97 , 98 , 99 , 100 , 101 , 102 , 103 , 104 , 105 , 106 , 107 , 108 , 109 , 110 , 111 , 112 , 113 , 114 , 115 , 116 , 117 , 118 , 119 , 120 , 121 , 122 , 123 , 124 , 125 , 126 , 127 , 128 , 129 , 130 , 131 , 132 , 133 , 134 , 135 , 136 , 137 , 138 , 139 , 140 , 141 , 142 , 143 , 144 , 145 , 146 , 147 , 148 , 149 , 150 , 151 , 152 , 153 , 154 , 155 , 156 , 157 } , residue-ids { 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , 44 , 45 , 46 , 47 , 48 , 49 , 50 , 51 , 52 , 53 , 54 , 55 , 56 , 57 , 58 , 59 , 60 , 61 , 62 , 63 , 64 , 65 , 66 , 67 , 68 , 69 , 70 , 71 , 72 , 73 , 74 , 75 , 76 , 77 , 78 , 79 , 80 , 81 , 82 , 83 , 84 , 85 , 86 , 87 , 88 , 89 , 90 , 91 , 92 , 93 , 94 , 95 , 96 , 97 , 98 , 99 , 100 , 101 , 102 , 103 , 104 , 105 , 106 , 107 , 108 , 109 , 110 , 111 , 112 , 113 , 114 , 115 , 116 , 117 , 118 , 119 , 120 , 121 , 122 , 123 , 124 , 125 , 126 , 127 , 128 , 129 , 130 , 131 , 132 , 133 , 134 , 135 , 136 , 137 , 138 , 139 , 140 , 141 , 142 , 143 , 144 , 145 , 146 , 147 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 } , atom-ids { 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , 44 , 45 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 } } , sites { scale-factor 1000 , x { 5977 , 9642 , 11744 , 14921 , 17052 , 15073 , 15173 , 18930 , 19425 , 17032 , 18731 , 22219 , 21427 , 19361 , 22627 , 24008 , 20675 , 20445 , 24066 , 24931 , 21532 , 19113 , 18008 , 16865 , 18656 , 16972 , 13592 , 14113 , 15156 , 12224 , 9503 , 11024 , 11264 , 7789 , 6193 , 8282 , 7005 , 3397 , 2624 , -944 , 311 , 1363 , -2301 , -2774 , 58 , -769 , 2623 , 3210 , 5411 , 8529 , 10617 , 8385 , 10607 , 7809 , 8959 , 12385 , 10815 , 8238 , 10758 , 12870 , 9875 , 8947 , 12510 , 12809 , 9521 , 10870 , 13919 , 11533 , 9654 , 13083 , 14022 , 10943 , 11388 , 12126 , 8547 , 6175 , 3195 , 4856 , 5798 , 2271 , 612 , 2907 , 2310 , -1427 , -1398 , 538 , -2087 , -4937 , -3195 , -3283 , -7120 , -6624 , -3907 , -3617 , -5983 , -7269 , -8518 , -5435 , -5889 , -4240 , -3144 , -784 , 1459 , 2790 , 4571 , 5846 , 7499 , 9241 , 10535 , 11756 , 13664 , 15275 , 16398 , 17848 , 19847 , 21063 , 22627 , 23938 , 24795 , 26071 , 24903 , 21346 , 21806 , 19233 , 18699 , 18325 , 15836 , 13696 , 13848 , 13131 , 10151 , 8678 , 9448 , 7783 , 4745 , 4437 , 4977 , 2719 , 59 , -139 , -435 , -3196 , -5073 , -5059 , -6018 , -8998 , -10190 , 2625 , 2704 , 552 , 2693 , 4571 , 1780 , 1950 , 1239 , 673 , 985 , -193 , 1301 , 1704 , 955 , -29 , 1297 , 1733 , 902 , 597 , 1166 , 1932 , -283 , 1208 , 1307 , 3458 , 3402 , 4285 , 4792 , 4279 , 4465 , 5715 , 6204 , 3483 , 4282 , 4779 , 4308 , 3467 , 5750 , 4515 , 3363 , 3068 , 1850 , 4021 , 3931 , 4695 , -3232 , 16543 , 14382 , 19739 , 15130 , 13987 , 9044 , 9017 , 8510 , -4787 , 13637 , 16615 , 22071 , 12215 , 12747 , 15172 , 19082 , 17678 , 20730 , 7117 , 8121 , 23582 , 16021 , 21321 , 20156 , -6558 , 9940 , 3535 , 6303 , 22109 , 10866 , 8475 , 15331 , 11822 , 1210 , 10918 , 27293 , -3839 , 1513 , 25630 , 28230 , -6908 , 22011 , 15313 , 24480 , 13345 , 7239 , -8135 , -9086 , 3700 , 6615 , 23929 , -1249 , 15872 , 12313 , 16405 , 27405 , 14448 , 8262 , 5355 , 13032 , 8437 , 20760 , 26118 , -8688 , 22297 , -525 , -11752 , 21803 , -10056 , 19077 , -162 , -5912 , -8979 , -1976 , 17300 , 6563 , 18766 , 16157 , -6716 , -8278 , 5234 , 12661 , 22249 , -8844 , 9823 , -7005 , -5547 , 16952 , -976 , -7046 , -6813 , 25271 , 16041 , 19498 , 11681 , 16733 , 2417 , 1001 , -1454 , 1826 , 5997 , 7393 , 3024 , 6191 , 12664 , -7848 , 17981 , -2771 , 7021 , 8308 , 20602 , 25640 , 18217 , -11721 , 7323 , 13834 , 4310 , 17355 , 22654 , 20580 , 22329 , 24259 , 22759 , 24702 , 24525 , 11050 , 5579 , 6370 , 1273 , -1377 , 16719 , 20112 , 7301 , 18144 , -10485 , 8757 , 7909 , 6666 , -6161 , -4519 , 7050 , 25551 , 16191 , -2799 , -4551 , 3524 , -736 , -5978 , 22736 , -5338 , 3987 , 4956 , 27730 , 22779 } , y { 27912 , 27505 , 29933 , 31332 , 28928 , 25948 , 27158 , 27456 , 23842 , 22430 , 24272 , 23190 , 19513 , 19256 , 19704 , 16530 , 14662 , 15371 , 14010 , 13066 , 11609 , 14435 , 12293 , 9294 , 6710 , 8318 , 8068 , 4396 , 3579 , 5546 , 3781 , 301 , 412 , 1996 , -833 , -3515 , -2149 , -1568 , -4287 , -3044 , 134 , -1778 , -2048 , 1702 , 2538 , -304 , -1990 , -5721 , -5244 , -3544 , -4908 , -3627 , -1366 , 1309 , 1895 , 3235 , 5316 , 6926 , 7363 , 9488 , 11685 , 12272 , 13369 , 15672 , 17304 , 17828 , 19573 , 21958 , 22809 , 23423 , 25888 , 27931 , 27941 , 31713 , 32210 , 30011 , 31101 , 29566 , 26350 , 25872 , 26559 , 24184 , 21383 , 21955 , 21458 , 18152 , 17168 , 17887 , 15606 , 12791 , 12838 , 10757 , 8385 , 4991 , 2029 , 2720 , 5964 , 8000 , 8848 , 11675 , 9099 , 7451 , 10541 , 10223 , 6877 , 7999 , 10978 , 8635 , 6497 , 9650 , 11025 , 7638 , 7364 , 10895 , 9931 , 6739 , 8874 , 11904 , 10216 , 12688 , 15712 , 14709 , 16112 , 17458 , 20658 , 18850 , 16309 , 19102 , 21197 , 18297 , 17130 , 20724 , 20921 , 17501 , 18687 , 21798 , 19958 , 16998 , 19252 , 21404 , 18295 , 16889 , 20244 , 19900 , 16184 , 17037 , 20140 , 10631 , 10144 , 7986 , 10972 , 13384 , 9372 , 9328 , 8113 , 7531 , 8263 , 6243 , 7878 , 6725 , 6925 , 6191 , 7914 , 9661 , 8563 , 8123 , 8938 , 9938 , 6879 , 8984 , 7841 , 11973 , 11923 , 12931 , 13608 , 13012 , 13175 , 14811 , 15372 , 11493 , 12693 , 12986 , 12095 , 11190 , 14161 , 11966 , 12438 , 13896 , 14268 , 14728 , 9447 , 8703 , 20301 , 22937 , 18536 , 31646 , 11904 , 6310 , 15057 , 27701 , 25985 , 13089 , 4435 , 19128 , 19863 , -810 , -1420 , 12170 , 3388 , 24800 , 21118 , 23685 , 23500 , 9808 , 27131 , 9659 , 23536 , 22469 , 17831 , -5534 , 22146 , 15828 , 14400 , 28329 , 26290 , 8719 , 26334 , 10111 , 9869 , 19279 , 23693 , 13095 , 12525 , 15754 , 27166 , 5809 , 6821 , -4057 , 4008 , 10951 , 11134 , 2951 , 15757 , 19468 , 4961 , 3892 , 8373 , 10612 , 18015 , 9918 , 28044 , 22049 , 27930 , 23757 , 6483 , 7904 , 21372 , 5663 , 13523 , 21598 , 25478 , 10391 , 6646 , 29768 , 27375 , 8036 , 5712 , 24496 , 26431 , 11075 , -1003 , 9554 , 22802 , -881 , 30694 , 3427 , 7050 , 20108 , 19305 , 24612 , 30604 , -4408 , 3398 , 2342 , 8102 , 23061 , 32696 , -6485 , 1212 , 28265 , 17365 , 16323 , 14527 , 11600 , 25273 , 21803 , 21941 , 11918 , 6509 , 27208 , 28099 , -6880 , -8152 , 6301 , 21463 , 29693 , 8415 , 19579 , 11979 , 13975 , 31766 , 6907 , 27939 , 30224 , 17942 , 19132 , 7182 , 10530 , -1812 , -6943 , 4369 , 3417 , -3855 , 758 , 3771 , 31425 , 13220 , 2493 , 25148 , -7125 , 14681 , 5969 , -2242 , -7611 , 10642 , 5252 , -1792 , -2237 , 21154 , 11437 , 5223 , 21345 , 5159 , -4722 , 34103 , 10608 , 10973 } , z { 15868 , 16833 , 18872 , 17265 , 19371 , 18074 , 14435 , 14674 , 15894 , 13274 , 10423 , 11577 , 12185 , 8927 , 6964 , 8604 , 8433 , 4666 , 4267 , 741 , -271 , 653 , 3672 , 1606 , 3899 , 6955 , 5193 , 4357 , 7945 , 9402 , 7319 , 7390 , 11157 , 11549 , 9559 , 11366 , 14738 , 13552 , 10998 , 10720 , 9008 , 5866 , 4798 , 5302 , 2937 , 500 , 1038 , 1230 , 4287 , 5569 , 2726 , -128 , -2312 , -2249 , 1430 , 323 , -2452 , -137 , 2742 , 358 , -662 , 2973 , 3839 , 813 , 1876 , 5446 , 3898 , 2029 , 5304 , 7048 , 4252 , 5217 , 9010 , 8627 , 7387 , 9376 , 7255 , 4177 , 5998 , 7376 , 4008 , 2166 , 4696 , 4647 , 834 , 1282 , 3849 , 1409 , -1111 , 1467 , 1298 , -1908 , -644 , 976 , 1305 , 4847 , 6421 , 7515 , 11238 , 13132 , 15701 , 13182 , 13161 , 16682 , 16299 , 12869 , 14693 , 17087 , 14179 , 12405 , 15403 , 16025 , 12368 , 12500 , 15611 , 13986 , 11269 , 13234 , 16565 , 19165 , 17194 , 18218 , 21751 , 24237 , 22330 , 18957 , 20371 , 21844 , 18655 , 16302 , 18455 , 18214 , 14430 , 13855 , 15889 , 13709 , 10401 , 11165 , 12777 , 9601 , 7392 , 9615 , 9446 , 5593 , 5774 , 7976 , 6111 , 3245 , -146 , 3580 , 6669 , 2963 , 1998 , 635 , 80 , 1094 , 2309 , 1105 , -1403 , -2253 , -3603 , -3877 , -4289 , 4829 , 4743 , 6080 , 6973 , 6136 , 6340 , 8462 , 9238 , 4588 , 5963 , 6499 , 5476 , 4233 , 8019 , 5413 , 6453 , 1783 , 1823 , 483 , -358 , 437 , 193 , -1881 , -2736 , -2634 , -2526 , -2547 , 3638 , 3669 , -2191 , 3707 , -149 , 19081 , -2315 , -3799 , -1788 , -2478 , -1663 , -3791 , 12895 , 1415 , 24097 , 935 , 3325 , -1 , 5334 , 5563 , 3742 , 3894 , -2458 , -2867 , 7963 , -3621 , 6718 , 12460 , -2085 , 7698 , -493 , 460 , -3713 , 13086 , 10511 , -4241 , 13259 , 20221 , 13567 , 13440 , 12715 , 7892 , 13965 , 14870 , 12267 , 386 , 16287 , -201 , 15998 , 14962 , 12933 , 19848 , 18285 , 17650 , 16433 , 13870 , 19340 , 18816 , 20394 , 20020 , 21086 , 20241 , 23076 , 21947 , 447 , 13850 , 9486 , 5231 , 16101 , 9603 , 6796 , -3243 , 9621 , 6606 , 3130 , 19280 , -2715 , 23569 , 12654 , -2836 , 8521 , 3497 , 2529 , -3894 , 5340 , 12724 , 15309 , 22194 , 12709 , 13507 , 5463 , 7353 , 9071 , 13567 , 6186 , 21406 , 13065 , 14480 , -1130 , 15777 , 15762 , 15897 , 15432 , 17807 , 20082 , -619 , 2595 , -3198 , -1115 , 5848 , 7083 , 7029 , 5460 , 7872 , 10304 , 11396 , 20908 , 21134 , 20468 , 17631 , 14195 , 7838 , 6357 , 5708 , 3674 , 2866 , 8083 , 3455 , 13986 , 12299 , -3017 , -1603 , 1676 , 6694 , 2236 , 17333 , -4304 , 6890 , -6223 , 3362 , -3569 , -2875 , 2136 , 1201 , 6007 , -1855 , 16209 , 8739 , -2857 , 16497 , 16076 , 19627 , 2940 , 19732 , 7783 , 3025 , 20566 } } , temperature-factors isotropic { scale-factor 1000 , b { 13770 , 14600 , 16090 , 16350 , 15199 , 13439 , 14829 , 15520 , 14149 , 12420 , 13779 , 13500 , 12550 , 10979 , 13920 , 14270 , 11300 , 11630 , 13810 , 15010 , 11699 , 10550 , 8970 , 9689 , 11270 , 10180 , 9680 , 11229 , 11350 , 10979 , 12260 , 13090 , 13270 , 13609 , 15250 , 17219 , 17920 , 18290 , 19799 , 19840 , 16909 , 16010 , 17110 , 19159 , 19899 , 19590 , 18239 , 17989 , 15390 , 15560 , 15840 , 13420 , 13079 , 12489 , 12949 , 12890 , 11770 , 11800 , 10029 , 11609 , 10930 , 9569 , 9289 , 8180 , 9930 , 9550 , 8659 , 9189 , 9380 , 10300 , 11439 , 15100 , 19610 , 22450 , 22989 , 20700 , 17229 , 15449 , 14500 , 11500 , 10500 , 11550 , 11020 , 10810 , 10050 , 9489 , 8430 , 9000 , 9380 , 10010 , 12869 , 15710 , 17520 , 22829 , 26600 , 27989 , 27180 , 22690 , 22079 , 17579 , 16639 , 14899 , 13359 , 15260 , 12590 , 11140 , 9449 , 9529 , 8909 , 9369 , 10229 , 10300 , 9430 , 9010 , 11680 , 13369 , 12529 , 12369 , 13520 , 13979 , 15619 , 15050 , 13060 , 13989 , 11539 , 10920 , 13130 , 12750 , 10189 , 8140 , 9100 , 9220 , 8949 , 8609 , 9239 , 9609 , 9729 , 9510 , 8979 , 9989 , 9079 , 10380 , 11510 , 11460 , 12970 , 16209 , 18729 , 11800 , 13210 , 13470 , 11960 , 11359 , 12770 , 13260 , 14779 , 14250 , 13260 , 15350 , 17319 , 20260 , 21010 , 21719 , 22690 , 12159 , 12930 , 12319 , 13210 , 12890 , 13630 , 12829 , 14430 , 10630 , 10609 , 11289 , 11220 , 11020 , 12619 , 11319 , 14329 , 12020 , 12670 , 13090 , 13590 , 12479 , 13329 , 14930 , 15640 , 17409 , 17940 , 17829 , 13680 , 15850 , 11420 , 13689 , 11560 , 38130 , 30129 , 33700 , 15649 , 23959 , 29680 , 16590 , 18579 , 13449 , 16840 , 22989 , 27120 , 17940 , 35009 , 23479 , 24569 , 35819 , 31319 , 24940 , 27250 , 34439 , 25530 , 35810 , 24319 , 32830 , 24209 , 18120 , 29530 , 31079 , 31930 , 29120 , 29170 , 32990 , 33119 , 25049 , 19719 , 25780 , 34110 , 30219 , 28479 , 20360 , 34720 , 30719 , 23680 , 40369 , 34310 , 33689 , 23379 , 27239 , 31809 , 26350 , 22819 , 25190 , 25239 , 34549 , 39409 , 22059 , 35330 , 27639 , 24329 , 32619 , 22809 , 38090 , 33459 , 36439 , 32659 , 29809 , 17760 , 20239 , 27280 , 37310 , 22200 , 20690 , 29469 , 23719 , 37900 , 26709 , 16829 , 27790 , 30540 , 37060 , 36229 , 27110 , 34400 , 31239 , 35369 , 21540 , 28870 , 38450 , 35000 , 22489 , 38520 , 28920 , 33650 , 26920 , 27889 , 24229 , 32110 , 27659 , 34779 , 24129 , 35990 , 38200 , 35819 , 28239 , 36610 , 33220 , 33639 , 34729 , 25709 , 38619 , 37090 , 26620 , 36990 , 30129 , 33659 , 32799 , 34430 , 35090 , 27860 , 25379 , 38150 , 33290 , 31389 , 38979 , 28600 , 28520 , 39099 , 31290 , 35630 , 33909 , 36709 , 35520 , 27670 , 33090 , 30750 , 37919 , 36259 , 30010 , 25950 , 33319 , 31879 , 32060 , 38220 , 25370 , 37610 , 28149 , 37560 , 35900 , 32450 , 32419 , 30000 } } , occupancies { scale-factor 1000 , o { 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 800 , 699 , 699 , 699 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 1000 , 930 , 980 , 990 , 1000 , 610 , 889 , 779 , 990 , 1000 , 839 , 990 , 959 , 1000 , 970 , 879 , 889 , 1000 , 689 , 1000 , 819 , 560 , 819 , 930 , 740 , 680 , 980 , 810 , 829 , 800 , 899 , 990 , 870 , 649 , 720 , 839 , 990 , 759 , 870 , 860 , 990 , 800 , 600 , 740 , 649 , 910 , 769 , 870 , 930 , 699 , 819 , 670 , 1000 , 990 , 589 , 670 , 1000 , 1000 , 949 , 589 , 509 , 699 , 899 , 939 , 870 , 740 , 750 , 670 , 750 , 720 , 540 , 769 , 990 , 910 , 990 , 870 , 709 , 740 , 870 , 819 , 699 , 939 , 990 , 839 , 589 , 689 , 949 , 930 , 740 , 990 , 779 , 680 , 939 , 759 , 680 , 1000 , 550 , 889 , 639 , 639 , 819 , 680 , 930 , 759 , 790 , 819 , 509 , 800 , 870 , 670 , 720 , 730 , 1000 , 769 , 649 , 860 , 649 , 670 , 709 , 550 , 519 , 680 , 750 , 670 , 689 , 680 , 689 , 699 , 720 , 610 , 689 , 699 , 620 , 639 , 709 , 620 , 829 , 649 , 540 , 569 , 589 , 610 , 519 , 740 , 680 , 790 , 600 , 610 , 560 , 709 , 699 , 680 , 639 , 779 , 670 , 689 , 200 } } } } , { id 2 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 4 , to 13 } } , surface cylinder { axis-top { scale-factor 1000 , x 21208 , y 21026 , z 10462 } , axis-bottom { scale-factor 1000 , x 14851 , y 29703 , z 18889 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 3 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 24 , to 38 } } , surface cylinder { axis-top { scale-factor 1000 , x 4950 , y -3397 , z 13244 } , axis-bottom { scale-factor 1000 , x 18112 , y 9429 , z 3462 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 4 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 55 , to 72 } } , surface cylinder { axis-top { scale-factor 1000 , x 12545 , y 27545 , z 6013 } , axis-bottom { scale-factor 1000 , x 9936 , y 2439 , z -910 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 5 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 76 , to 90 } } , surface cylinder { axis-top { scale-factor 1000 , x -4542 , y 14065 , z 280 } , axis-bottom { scale-factor 1000 , x 6009 , y 30988 , z 7259 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 6 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 104 , to 118 } } , surface cylinder { axis-top { scale-factor 1000 , x 24042 , y 9414 , z 13340 } , axis-bottom { scale-factor 1000 , x 2724 , y 8605 , z 15301 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 7 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 124 , to 146 } } , surface cylinder { axis-top { scale-factor 1000 , x -7745 , y 18805 , z 5894 } , axis-bottom { scale-factor 1000 , x 20089 , y 19006 , z 22810 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } } } } } , { id { mmdb-id 1364 } , descr { name "1ITH" , pdb-comment "remark 3: Refinement." , pdb-comment "remark 3: Program X-Plor" , pdb-comment "remark 3: Authors Brunger" , pdb-comment "remark 3: R Value 0.147" , pdb-comment "remark 3: Rmsd Bond Distances 0.015 Angstroms" , pdb-comment "remark 3: Rmsd Bond Angles 3.330 Degrees" , pdb-comment "remark 4: This Hemoglobin Possesses An Unusual Quaternary Structure" , pdb-comment "remark 4: With The GH HELICES ON THE OUTSIDE AND SUBUNIT-Subunit" , pdb-comment "remark 4: Contacts Involving Crossed E Helices And AB TURNS. THERE" , pdb-comment "remark 4: Is One Cys (C21) In The AB TURN AND THESE ARE CLOSE ENOUGH" , pdb-comment "remark 4: To Form A Disulfide But Do Not Do So." , pdb-comment "remark 5: Residue 4 Of Each Chain Is Presented As Ala In This Entry." , pdb-comment "remark 5: Both Pir And Swissprot Databases Listed This Residue As" , pdb-comment "remark 5: Thr At The Time That This Entry Was Prepared. This Was" , pdb-comment "remark 5: Based On Cdna Sequence Obtained From One Clone. However," , pdb-comment "remark 5: Amino Acid Sequencing Of The Globins Showed Residue 4 To" , pdb-comment "remark 5: Be Ala. This Was Confirmed By Difference Electron Density" , pdb-comment "remark 5: Maps." , pdb-comment "remark 6: Some Of The Water Molecules Included In The Entry Are There" , pdb-comment "remark 6: For Illustrative Purposes Only And Are Degenerate In That" , pdb-comment "remark 6: They Are Related To Other Waters By The Crystallographic" , pdb-comment "remark 6: Two-Fold Axis." , pdb-comment "remark 7: The Two Non-Crystallographic Subunits Are Related By A" , pdb-comment "remark 7: Molecular Two-Fold Axis (179.8 Degree Rotation) Located In" , pdb-comment "remark 7: The Bc Plane At 35 Degrees From The B Axis (See Reference" , pdb-comment "remark 7: 1). The Backbone (N, C-Alpha, C, O, + Fe) Rms Fit 0.317." , pdb-comment "remark 7: The Transformation Presented On Mtrix Records Below Will" , pdb-comment "remark 7: Yield Approximate Coordinates For Chain A When Applied To" , pdb-comment "remark 7: Chain B." , history { data-source { name-of-database "Protein Data Bank" , version-of-database release-date std { year 1994 , month 1 , day 31 } , database-entry-id other-database { db "PDB" , tag str "1ITH" } , database-entry-date std { year 1991 , month 12 , day 3 } } } , attribution sub { authors { names std { { name name { last "Hackert" , full "M.Hackert" , initials "M." } } , { name name { last "Kolatkar" , full "P.Kolatkar" , initials "P." } } , { name name { last "Ernst" , full "S.R.Ernst" , initials "S.R." } } , { name name { last "Ogata" , full "C.M.Ogata" , initials "C.M." } } , { name name { last "Hendrickson" , full "W.A.Hendrickson" , initials "W.A." } } , { name name { last "Merritt" , full "E.A.Merritt" , initials "E.A." } } , { name name { last "Phizackerley" , full "R.P.Phizackerley" , initials "R.P." } } } } , imp { date std { year 1991 , month 12 , day 3 } } } , attribution equiv { muid 92384990 , article { title { name "Structure determination and refinement of homotetrameric hemoglobin from Urechis caupo at 2.5 A resolution." } , authors { names std { { name name { last "Kolatkar" , initials "P.R." } } , { name name { last "Ernst" , initials "S.R." } } , { name name { last "Hackert" , initials "M.L." } } , { name name { last "Ogata" , initials "C.M." } } , { name name { last "Hendrickson" , initials "W.A." } } , { name name { last "Merritt" , initials "E.A." } } , { name name { last "Phizackerley" , initials "R.P." } } } , affil str "Department of Chemistry and Biochemistry, University of Texas, Austin 78712." } , from journal { title { iso-jta "Acta Crystallogr., B" , ml-jta "Acta Crystallogr B" , issn "0108-7681" , jta "AI6" } , imp { date std { year 1992 , month 4 , day 1 } , volume "48" , issue " Pt 2" , pages "191-199" } } } } , attribution equiv { muid 88139427 , article { title { name "Novel subunit structure observed for noncooperative hemoglobin from Urechis caupo." } , authors { names std { { name name { last "Kolatkar" , initials "P.R." } } , { name name { last "Meador" , initials "W.E." } } , { name name { last "Stanfield" , initials "R.L." } } , { name name { last "Hackert" , initials "M.L." } } } , affil str "Department of Chemistry, University of Texas, Austin 78712." } , from journal { title { iso-jta "J. Biol. Chem." , ml-jta "J Biol Chem" , issn "0021-9258" , jta "HIV" } , imp { date std { year 1988 , month 3 , day 5 } , volume "263" , issue "7" , pages "3462-3465" } } } } } , chemical-graph { descr { name "Hemoglobin (Cyanomet)" , pdb-class "Oxygen Transport" , pdb-source "Innkeeper Worm (Urechis Caupo)" , assembly-type other } , molecule-graphs { { id 1 , descr { name "A" , pdb-comment "SEQRES" , molecule-type protein , organism { org { taxname "Urechis caupo" , db { { db "taxon" , tag id 6431 } } , orgname { name binomial { genus "Urechis" , species "caupo" } , lineage "Eukaryotae; mitochondrial eukaryotes; Metazoa; Echiura; Xenopneusta; Urechidae; Urechis" , gcode 1 , mgcode 5 , div "INV" } } } } , seq-id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } , residue-sequence { { id 1 , name " 1 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 24 } } , { id 2 , name " 2 " , 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other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 31 } } , { id 137 , name " 137 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 58 } } , { id 138 , name " 138 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 139 , name " 139 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 1 } } , { id 140 , name " 140 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 37 } } , { id 141 , name " 141 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 35 } } } , inter-residue-bonds { { atom-id-1 { molecule-id 1 , residue-id 1 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 2 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 2 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 3 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 3 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 4 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 4 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 5 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 5 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 6 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 6 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 7 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 7 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 8 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 8 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 9 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 9 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 10 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 10 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 11 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 11 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 12 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 12 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 13 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 13 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 14 , atom-id 20 } } , { atom-id-1 { molecule-id 1 , residue-id 14 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 15 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 15 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 16 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 16 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 17 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 17 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 18 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 18 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 19 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 19 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 20 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 20 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 21 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 21 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 22 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 22 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 23 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 23 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 24 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 24 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 25 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 25 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 26 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 26 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 27 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 27 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 28 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 28 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 29 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 29 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 30 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 30 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 31 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 31 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 32 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 32 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 33 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 33 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 34 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 34 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 35 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 35 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 36 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 36 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 37 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 37 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 38 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 38 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 39 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 39 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 40 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 40 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 41 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 41 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 42 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 42 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 43 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 43 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 44 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 44 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 45 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 45 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 46 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 46 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 47 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 47 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 48 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 48 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 49 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 49 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 50 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 50 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 51 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 51 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 52 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 52 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 53 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 53 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 54 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 54 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 55 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 55 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 56 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 56 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 57 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 57 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 58 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 58 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 59 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 59 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 60 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 60 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 61 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 61 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 62 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 62 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 63 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 63 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 64 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 64 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 65 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 65 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 66 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 66 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 67 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 67 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 68 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 68 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 69 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 69 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 70 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 70 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 71 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 71 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 72 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 72 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 73 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 73 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 74 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 74 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 75 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 75 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 76 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 76 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 77 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 77 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 78 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 78 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 79 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 79 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 80 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 80 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 81 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 81 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 82 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 82 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 83 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 83 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 84 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 84 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 85 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 85 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 86 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 86 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 87 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 87 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 88 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 88 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 89 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 89 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 90 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 90 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 91 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 91 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 92 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 92 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 93 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 93 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 94 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 94 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 95 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 95 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 96 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 96 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 97 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 97 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 98 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 98 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 99 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 99 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 100 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 100 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 101 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 101 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 102 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 102 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 103 , atom-id 13 } } , { atom-id-1 { molecule-id 1 , residue-id 103 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 104 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 104 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 105 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 105 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 106 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 106 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 107 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 107 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 108 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 108 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 109 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 109 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 110 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 110 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 111 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 111 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 112 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 112 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 113 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 113 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 114 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 114 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 115 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 115 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 116 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 116 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 117 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 117 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 118 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 118 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 119 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 119 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 120 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 120 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 121 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 121 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 122 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 122 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 123 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 123 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 124 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 124 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 125 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 125 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 126 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 126 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 127 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 127 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 128 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 128 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 129 , atom-id 20 } } , { atom-id-1 { molecule-id 1 , residue-id 129 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 130 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 130 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 131 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 131 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 132 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 132 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 133 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 133 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 134 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 134 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 135 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 135 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 136 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 136 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 137 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 137 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 138 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 138 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 139 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 139 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 140 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 140 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 141 , atom-id 9 } } } } , { id 3 , descr { name "1" , molecule-type other-nonpolymer } , residue-sequence { { id 1 , name " 1 " , residue-graph local 1 } } } } , inter-molecule-bonds { { atom-id-1 { molecule-id 1 , residue-id 94 , atom-id 15 } , atom-id-2 { molecule-id 3 , residue-id 1 , atom-id 1 } } } , residue-graphs { { id 1 , descr { name "HEM" , pdb-comment "Protoporphyrin Ix Contains Fe(Ii)" } , residue-type other , iupac-code { "X" } , atoms { { id 1 , name "FE " , iupac-code { "FE " } , element fe } , { id 2 , name " CHA" , iupac-code { " CHA" } , element c } , { id 3 , name " CHB" , iupac-code { " CHB" } , element c } , { id 4 , name " CHC" , iupac-code { " CHC" } , element c } , { id 5 , name " CHD" , iupac-code { " CHD" } , element c } , { id 6 , name " N A" , iupac-code { " N A" } , element n } , { id 7 , name " C1A" , iupac-code { " C1A" } , element c } , { id 8 , name " C2A" , iupac-code { " C2A" } , element c } , { id 9 , name " C3A" , iupac-code { " C3A" } , element c } , { id 10 , name " C4A" , iupac-code { " C4A" } , element c } , { id 11 , name " CMA" , iupac-code { " CMA" } , element c } , { id 12 , name " CAA" , iupac-code { " CAA" } , element c } , { id 13 , name " CBA" , iupac-code { " CBA" } , element c } , { id 14 , name " CGA" , iupac-code { " CGA" } , element c } , { id 15 , name " O1A" , iupac-code { " O1A" } , element o } , { id 16 , name " O2A" , iupac-code { " O2A" } , element o } , { id 17 , name " N B" , iupac-code { " N B" } , element n } , { id 18 , name " C1B" , iupac-code { " C1B" } , element c } , { id 19 , name " C2B" , iupac-code { " C2B" } , element c } , { id 20 , name " C3B" , iupac-code { " C3B" } , element c } , { id 21 , name " C4B" , iupac-code { " C4B" } , element c } , { id 22 , name " CMB" , iupac-code { " CMB" } , element c } , { id 23 , name " CAB" , iupac-code { " CAB" } , element c } , { id 24 , name " CBB" , iupac-code { " CBB" } , element c } , { id 25 , name " N C" , iupac-code { " N C" } , element n } , { id 26 , name " C1C" , iupac-code { " C1C" } , element c } , { id 27 , name " C2C" , iupac-code { " C2C" } , element c } , { id 28 , name " C3C" , iupac-code { " C3C" } , element c } , { id 29 , name " C4C" , iupac-code { " C4C" } , element c } , { id 30 , name " CMC" , iupac-code { " CMC" } , element c } , { id 31 , name " CAC" , iupac-code { " CAC" } , element c } , { id 32 , name " CBC" , iupac-code { " CBC" } , element c } , { id 33 , name " N D" , iupac-code { " N D" } , element n } , { id 34 , name " C1D" , iupac-code { " C1D" } , element c } , { id 35 , name " C2D" , iupac-code { " C2D" } , element c } , { id 36 , name " C3D" , iupac-code { " C3D" } , element c } , { id 37 , name " C4D" , iupac-code { " C4D" } , element c } , { id 38 , name " CMD" , iupac-code { " CMD" } , element c } , { id 39 , name " CAD" , iupac-code { " CAD" } , element c } , { id 40 , name " CBD" , iupac-code { " CBD" } , element c } , { id 41 , name " CGD" , iupac-code { " CGD" } , element c } , { id 42 , name " O1D" , iupac-code { " O1D" } , element o } , { id 43 , name " O2D" , iupac-code { " O2D" } , element o } , { id 44 , name " C " , iupac-code { " C " } , element c } , { id 45 , name " N " , iupac-code { " N " } , element n } } , bonds { { atom-id-1 1 , atom-id-2 6 , bond-order unknown } , { atom-id-1 1 , atom-id-2 17 , bond-order unknown } , { atom-id-1 1 , atom-id-2 25 , bond-order unknown } , { atom-id-1 1 , atom-id-2 33 , bond-order unknown } , { atom-id-1 1 , atom-id-2 44 , bond-order unknown } , { atom-id-1 2 , atom-id-2 7 , bond-order unknown } , { atom-id-1 2 , atom-id-2 37 , bond-order unknown } , { atom-id-1 3 , atom-id-2 10 , bond-order unknown } , { atom-id-1 3 , atom-id-2 18 , bond-order unknown } , { atom-id-1 4 , atom-id-2 21 , bond-order unknown } , { atom-id-1 4 , atom-id-2 26 , bond-order unknown } , { atom-id-1 5 , atom-id-2 29 , bond-order unknown } , { atom-id-1 5 , atom-id-2 34 , bond-order unknown } , { atom-id-1 6 , atom-id-2 7 , bond-order unknown } , { atom-id-1 6 , atom-id-2 10 , bond-order unknown } , { atom-id-1 7 , atom-id-2 8 , bond-order unknown } , { atom-id-1 8 , atom-id-2 9 , bond-order unknown } , { atom-id-1 8 , atom-id-2 12 , bond-order unknown } , { atom-id-1 9 , atom-id-2 10 , bond-order unknown } , { atom-id-1 9 , atom-id-2 11 , bond-order unknown } , { atom-id-1 12 , atom-id-2 13 , bond-order unknown } , { atom-id-1 13 , atom-id-2 14 , bond-order unknown } , { atom-id-1 14 , atom-id-2 15 , bond-order unknown } , { atom-id-1 14 , atom-id-2 16 , bond-order unknown } , { atom-id-1 17 , atom-id-2 18 , bond-order unknown } , { atom-id-1 17 , atom-id-2 21 , bond-order unknown } , { atom-id-1 18 , atom-id-2 19 , bond-order unknown } , { atom-id-1 19 , atom-id-2 20 , bond-order unknown } , { atom-id-1 19 , atom-id-2 22 , bond-order unknown } , { atom-id-1 20 , atom-id-2 21 , bond-order unknown } , { atom-id-1 20 , atom-id-2 23 , bond-order unknown } , { atom-id-1 23 , atom-id-2 24 , bond-order unknown } , { atom-id-1 25 , atom-id-2 26 , bond-order unknown } , { atom-id-1 25 , atom-id-2 29 , bond-order unknown } , { atom-id-1 26 , atom-id-2 27 , bond-order unknown } , { atom-id-1 27 , atom-id-2 28 , bond-order unknown } , { atom-id-1 27 , atom-id-2 30 , bond-order unknown } , { atom-id-1 28 , atom-id-2 29 , bond-order unknown } , { atom-id-1 28 , atom-id-2 31 , bond-order unknown } , { atom-id-1 31 , atom-id-2 32 , bond-order unknown } , { atom-id-1 33 , atom-id-2 34 , bond-order unknown } , { atom-id-1 33 , atom-id-2 37 , bond-order unknown } , { atom-id-1 34 , atom-id-2 35 , bond-order unknown } , { atom-id-1 35 , atom-id-2 36 , bond-order unknown } , { atom-id-1 35 , atom-id-2 38 , bond-order unknown } , { atom-id-1 36 , atom-id-2 37 , bond-order unknown } , { atom-id-1 36 , atom-id-2 39 , bond-order unknown } , { atom-id-1 39 , atom-id-2 40 , bond-order unknown } , { atom-id-1 40 , atom-id-2 41 , bond-order unknown } , { atom-id-1 41 , atom-id-2 42 , bond-order unknown } , { atom-id-1 41 , atom-id-2 43 , bond-order unknown } , { atom-id-1 44 , atom-id-2 45 , bond-order unknown } } } , { id 2 , descr { name "HOH" , pdb-comment "" } , residue-type other , iupac-code { "X" } , atoms { { id 1 , name " O " , iupac-code { " O " } , element o } } , bonds { } } } } , features { { id 1 , descr { name "PDB secondary structure" } , features { { id 1 , name " AA" , type helix , location subgraph residues interval { { molecule-id 1 , from 3 , to 17 } } } , { id 2 , name " BA" , type helix , location subgraph residues interval { { molecule-id 1 , from 22 , to 37 } } } , { id 3 , name " CA" , type helix , location subgraph residues interval { { molecule-id 1 , from 38 , to 43 } } } , { id 4 , name " DA" , type helix , location subgraph residues interval { { molecule-id 1 , from 51 , to 55 } } } , { id 5 , name " EA" , type helix , location subgraph residues interval { { molecule-id 1 , from 58 , to 78 } } } , { id 6 , name "F1A" , type helix , location subgraph residues interval { { molecule-id 1 , from 81 , to 89 } } } , { id 7 , name "F2A" , type helix , location subgraph residues interval { { molecule-id 1 , from 88 , to 91 } } } , { id 8 , name "F3A" , type helix , location subgraph residues interval { { molecule-id 1 , from 91 , to 96 } } } , { id 9 , name " GA" , type helix , location subgraph residues interval { { molecule-id 1 , from 100 , to 118 } } } , { id 10 , name " HA" , type helix , location subgraph residues interval { { molecule-id 1 , from 122 , to 139 } } } } } , { id 2 , descr { name "NCBI assigned secondary structure" } , features { { id 1 , name "helix 1" , type helix , location subgraph residues interval { { molecule-id 1 , from 4 , to 16 } } } , { id 2 , name "helix 2" , type helix , location subgraph residues interval { { molecule-id 1 , from 23 , to 36 } } } , { id 3 , name "helix 3" , type helix , location subgraph residues interval { { molecule-id 1 , from 59 , to 78 } } } , { id 4 , name "helix 4" , type helix , location subgraph residues interval { { molecule-id 1 , from 83 , to 97 } } } , { id 5 , name "helix 5" , type helix , location subgraph residues interval { { molecule-id 1 , from 102 , to 117 } } } , { id 6 , name "helix 6" , type helix , location subgraph residues interval { { molecule-id 1 , from 123 , to 139 } } } } } } , model { { id 2 , type ncbi-backbone , descr { name "Single-coordinate-per-residue model from PDB entry 1ITH with a vector model attached" , pdb-reso "Resolution: 2.5" , pdb-method "X-Ray Diffraction" , pdb-comment "OCT 31 93 Initial Entry" } , model-space { coordinate-units angstroms , thermal-factor-units b } , model-coordinates { { id 1 , coordinates literal atomic { number-of-points 186 , atoms { number-of-ptrs 186 , molecule-ids { 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 , 3 } , residue-ids { 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , 44 , 45 , 46 , 47 , 48 , 49 , 50 , 51 , 52 , 53 , 54 , 55 , 56 , 57 , 58 , 59 , 60 , 61 , 62 , 63 , 64 , 65 , 66 , 67 , 68 , 69 , 70 , 71 , 72 , 73 , 74 , 75 , 76 , 77 , 78 , 79 , 80 , 81 , 82 , 83 , 84 , 85 , 86 , 87 , 88 , 89 , 90 , 91 , 92 , 93 , 94 , 95 , 96 , 97 , 98 , 99 , 100 , 101 , 102 , 103 , 104 , 105 , 106 , 107 , 108 , 109 , 110 , 111 , 112 , 113 , 114 , 115 , 116 , 117 , 118 , 119 , 120 , 121 , 122 , 123 , 124 , 125 , 126 , 127 , 128 , 129 , 130 , 131 , 132 , 133 , 134 , 135 , 136 , 137 , 138 , 139 , 140 , 141 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 } , atom-ids { 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , 44 , 45 } } , sites { scale-factor 1000 , x { 2265 , 5831 , 6989 , 10681 , 10022 , 8896 , 11999 , 14300 , 12407 , 13023 , 16590 , 17840 , 16306 , 17685 , 21148 , 20647 , 19187 , 19175 , 22319 , 24789 , 23044 , 21331 , 21159 , 18972 , 16563 , 16397 , 15826 , 13029 , 11244 , 11089 , 10310 , 7222 , 6251 , 6679 , 4826 , 1890 , 1944 , 3290 , 2384 , 4649 , 7602 , 7053 , 8315 , 11720 , 13038 , 16465 , 14940 , 11274 , 11782 , 13084 , 10133 , 9529 , 11276 , 14489 , 14831 , 16845 , 19629 , 19458 , 22339 , 20294 , 17529 , 20095 , 21642 , 18183 , 17107 , 20349 , 20057 , 16628 , 17674 , 20926 , 18645 , 16120 , 19024 , 19598 , 15883 , 15918 , 18902 , 16826 , 13390 , 13296 , 14508 , 14334 , 13116 , 10020 , 12022 , 14218 , 11149 , 9576 , 12908 , 12230 , 8668 , 9206 , 11555 , 9254 , 6162 , 7655 , 7546 , 3958 , 4980 , 2928 , 2696 , 157 , 3163 , 5448 , 2685 , 2407 , 6195 , 6419 , 3449 , 5038 , 8258 , 7135 , 5779 , 8898 , 10968 , 8787 , 8996 , 12580 , 14513 , 13650 , 11478 , 9316 , 5650 , 6615 , 8994 , 6416 , 4006 , 6464 , 7075 , 3318 , 3116 , 6400 , 4823 , 1919 , 4128 , 6495 , 3579 , 1922 , 5144 , 5268 , 2305 , 12227 , 14631 , 14217 , 9980 , 10312 , 14197 , 14963 , 16167 , 16056 , 14783 , 17110 , 17351 , 17235 , 16895 , 17806 , 15721 , 12190 , 13012 , 12555 , 11377 , 11153 , 13294 , 10509 , 10520 , 10560 , 9703 , 8532 , 8624 , 9856 , 7440 , 7712 , 6335 , 12493 , 11544 , 11965 , 13301 , 13508 , 11204 , 14326 , 15226 , 16049 , 15483 , 17188 , 12732 , 13209 } , y { 34188 , 32906 , 30243 , 29295 , 26146 , 28208 , 30476 , 27324 , 25853 , 29071 , 29624 , 26054 , 25904 , 29383 , 28237 , 24991 , 26083 , 29895 , 31310 , 29499 , 30862 , 34102 , 35326 , 32379 , 32615 , 36419 , 36134 , 33601 , 35416 , 38546 , 36573 , 34924 , 38472 , 40161 , 37360 , 37562 , 41406 , 42411 , 46120 , 46844 , 46321 , 50029 , 50920 , 49410 , 52169 , 50714 , 47605 , 48520 , 48100 , 44526 , 42119 , 39472 , 36709 , 38731 , 39684 , 36717 , 37614 , 41370 , 42727 , 45526 , 43071 , 40862 , 43816 , 44843 , 41370 , 40606 , 44041 , 42872 , 39282 , 40667 , 42714 , 39871 , 37614 , 40008 , 40037 , 36216 , 36342 , 38598 , 36854 , 36444 , 40000 , 43144 , 41635 , 43838 , 47018 , 46111 , 45694 , 48940 , 50798 , 50435 , 51665 , 55542 , 55430 , 53034 , 54991 , 58018 , 55993 , 54825 , 51406 , 50569 , 47666 , 46211 , 45681 , 44109 , 41700 , 40595 , 39780 , 38222 , 35940 , 34357 , 33282 , 29962 , 28872 , 29756 , 27847 , 24761 , 24619 , 25498 , 25493 , 22204 , 23380 , 20992 , 21631 , 22775 , 25517 , 26441 , 26876 , 28909 , 31220 , 31799 , 33020 , 34970 , 36969 , 38015 , 38962 , 41083 , 42907 , 43456 , 45077 , 47438 , 49607 , 47635 , 49792 , 46586 , 45326 , 48586 , 47932 , 48933 , 48985 , 48008 , 47481 , 47550 , 49919 , 51288 , 51238 , 50985 , 51425 , 46094 , 45913 , 44941 , 44488 , 45325 , 44428 , 43451 , 42664 , 46862 , 46001 , 45827 , 46841 , 47467 , 44765 , 47264 , 46868 , 48865 , 49214 , 50206 , 50359 , 49707 , 50793 , 50722 , 51866 , 51977 , 52394 , 51512 , 46346 , 46319 } , z { 24838 , 25698 , 28144 , 28757 , 26722 , 23709 , 24006 , 24072 , 21117 , 19073 , 20206 , 19602 , 16181 , 15272 , 16247 , 14252 , 10939 , 10761 , 12339 , 10047 , 6915 , 7898 , 4228 , 3036 , 5885 , 5278 , 1470 , 1952 , 4808 , 2644 , -515 , 1177 , 2407 , -939 , -2708 , -339 , -213 , -3659 , -3506 , -480 , -2831 , -3690 , -134 , -1007 , -3281 , -3860 , -5499 , -6311 , -10052 , -9876 , -10694 , -7963 , -9823 , -9982 , -6306 , -4746 , -7160 , -6617 , -4485 , -2851 , -1884 , -115 , 1759 , 3054 , 3971 , 5886 , 7749 , 8979 , 10015 , 11577 , 13897 , 14381 , 15446 , 18306 , 19308 , 19375 , 21816 , 23991 , 24008 , 27830 , 28128 , 26081 , 22739 , 23063 , 23466 , 20462 , 18298 , 19533 , 18995 , 15227 , 15146 , 14956 , 11857 , 9945 , 11034 , 9270 , 6016 , 6395 , 7735 , 10757 , 13297 , 10735 , 8447 , 11060 , 12028 , 8416 , 8443 , 11911 , 11157 , 8081 , 9904 , 11506 , 8128 , 6245 , 8840 , 8579 , 4738 , 4157 , 7439 , 9238 , 12074 , 13978 , 14924 , 18438 , 17106 , 14450 , 17341 , 19418 , 16420 , 15995 , 19599 , 19425 , 16581 , 18889 , 21837 , 19757 , 18060 , 21449 , 22778 , 19808 , 20702 , 7950 , 6945 , 10469 , 8816 , 5453 , 8440 , 8000 , 8711 , 9704 , 9560 , 10686 , 8476 , 9185 , 10680 , 11481 , 11068 , 9360 , 10361 , 11248 , 10665 , 9583 , 12499 , 11022 , 12245 , 7070 , 7627 , 6893 , 5922 , 6134 , 7155 , 4946 , 4782 , 6351 , 5490 , 4614 , 4890 , 6102 , 3440 , 3877 , 4162 , 2914 , 1883 , 2928 , 6771 , 5738 } } } } , { id 2 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 4 , to 16 } } , surface cylinder { axis-top { scale-factor 1000 , x 20546 , y 27108 , z 13967 } , axis-bottom { scale-factor 1000 , x 8983 , y 28357 , z 27381 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 3 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 23 , to 36 } } , surface cylinder { axis-top { scale-factor 1000 , x 2783 , y 39008 , z -1396 } , axis-bottom { scale-factor 1000 , x 20040 , y 33284 , z 5356 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 4 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 59 , to 78 } } , surface cylinder { axis-top { scale-factor 1000 , x 17213 , y 37487 , z 23753 } , axis-bottom { scale-factor 1000 , x 20113 , y 44505 , z -4270 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 5 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 83 , to 97 } } , surface cylinder { axis-top { scale-factor 1000 , x 7980 , y 57854 , z 7477 } , axis-bottom { scale-factor 1000 , x 12693 , y 43462 , z 24410 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 6 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 102 , to 117 } } , surface cylinder { axis-top { scale-factor 1000 , x 9567 , y 24351 , z 7238 } , axis-bottom { scale-factor 1000 , x 2032 , y 46728 , z 11357 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 7 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 123 , to 139 } } , surface cylinder { axis-top { scale-factor 1000 , x 3213 , y 45182 , z 20760 } , axis-bottom { scale-factor 1000 , x 6945 , y 21625 , z 15958 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } } } } } , { id { mmdb-id 6245 } , descr { name "1JEM" , pdb-comment "remark 3: Refinement." , pdb-comment "remark 3: Program : X-Plor 3.0" , pdb-comment "remark 3: Authors : Brunger" , pdb-comment "remark 3: Number Of Non-Hydrogen Atoms Used In Refinement." , pdb-comment "remark 3: Protein Atoms : 1273" , pdb-comment "remark 3: Nucleic Acid Atoms : 0" , pdb-comment "remark 3: Heterogen Atoms : 0" , pdb-comment "remark 3: Solvent Atoms : 0" , pdb-comment "remark 3: Other Refinement Remarks:" , pdb-comment "remark 3: Rmsd Bond Distances 0.0130(0.0019) Angstroms" , pdb-comment "remark 3: Structural Statistics: 25 Structures Rms Deviations From" , pdb-comment "remark 3: Exp. Restraints[a] Noe Distance Restraints (1136) 0.0130" , pdb-comment "remark 3: A Dihedral Angle Restraints (126) 0.1390 Deg Deviations" , pdb-comment "remark 3: From Ideal Geometry Bonds 0.0027 A Angles 0.425 Deg" , pdb-comment "remark 3: Impropers 0.315 Deg X-Plor Energies (In Kcal Mol-1)[b]" , pdb-comment "remark 3: Noe 0.169 Cdih 9.26 Repel 9.78 Bond 9.25 Angle 63.8" , pdb-comment "remark 3: Improper 9.27 Total 92.4 Atomic Rms Differences[c]" , pdb-comment "remark 3: Backbone(N, Ca, C') 0.55+-0.08 A All Heavy Atoms 1.06+" , pdb-comment "remark 3: -0.09 A" , pdb-comment "remark 4: 1jem Complies With Format V. 2.2, 16-Dec-1996" , pdb-comment "remark 210: Experimental Details" , pdb-comment "remark 210: Experiment Type : Nmr" , pdb-comment "remark 210: Temperature (Kelvin) : 303" , pdb-comment "remark 210: Ph : 6.9" , pdb-comment "remark 210: Nmr Experiments Conducted : Null" , pdb-comment "remark 210: Spectrometer Field Strength : 500.13" , pdb-comment "remark 210: Spectrometer Model : Dmx-500" , pdb-comment "remark 210: Spectrometer Manufacturer : Bruker" , pdb-comment "remark 210: Structure Determination." , pdb-comment "remark 210: Software Used : X-Plor" , pdb-comment "remark 210: Method Used : Null" , pdb-comment "remark 210: Conformers, Number Calculated : 50" , pdb-comment "remark 210: Conformers, Number Submitted : 25" , pdb-comment "remark 210: Conformers, Selection Criteria : Lowest Energy" , pdb-comment "remark 210: Remark: Null" , pdb-comment "remark 215: Nmr Study" , pdb-comment "remark 215: The Coordinates In This Entry Were Generated From Solution" , pdb-comment "remark 215: Nmr Data. Protein Data Bank Conventions Require That" , pdb-comment "remark 215: Cryst1 And Scale Records Be Included, But The Values On" , pdb-comment "remark 215: These Records Are Meaningless." , pdb-comment "remark 999: Sequence" , pdb-comment "remark 999: Expression In Escherichia Coli Results In Removal Of The" , pdb-comment "remark 999: N-Terminal Methionine." , pdb-comment "Dbref 1jem 2 88 Sws P08877 Pthp_bacsu 1 87" , pdb-comment "Seqadv 1jem Hip 15 Sws P08877 His 14 Modified Residue" , pdb-comment "Seqadv 1jem Val 51 Sws P08877 Met 50 Engineered" , pdb-comment "Modres 1jem Hip 15 His Phosphorylated Histidine" , pdb-comment "Link N Hip 15 C Ile 14" , pdb-comment "Link C Hip 15 N Ala 16" , history { data-source { name-of-database "Protein Data Bank" , version-of-database release-date std { year 1997 , month 7 , day 24 } , database-entry-id other-database { db "PDB" , tag str "1JEM" } , database-entry-date std { year 1997 , month 4 , day 1 } } } , attribution sub { authors { names std { { name name { last "Jones" , full "B.E.Jones" , initials "B.E." } } , { name name { last "Rajagopal" , full "P.Rajagopal" , initials "P." } } , { name name { last "Klevit" , full "R.E.Klevit" , initials "R.E." } } } } , imp { date std { year 1997 , month 4 , day 1 } } } , attribution gen { cit "To Be Published" , authors { names std { { name name { last "Jones" , full "B.E.Jones" , initials "B.E." } } , { name name { last "Rajagopal" , full "P.Rajagopal" , initials "P." } } , { name name { last "Klevit" , full "R.E.Klevit" , initials "R.E." } } } } , title "Phosphorylation On Histidine Is Accompanied By Localized Structural Changes In The Phosphocarrier Protein, Hpr" } , attribution equiv { muid 95101620 , article { title { name "Structural consequences of histidine phosphorylation: NMR characterization of the phosphohistidine form of histidine-containing protein from Bacillus subtilis and Escherichia coli." } , authors { names std { { name name { last "Rajagopal" , initials "P." } } , { name name { last "Waygood" , initials "E.B." } } , { name name { last "Klevit" , initials "R.E." } } } , affil str "Department of Biochemistry, University of Washington, Seattle 98195." } , from journal { title { iso-jta "Biochemistry" , ml-jta "Biochemistry" , issn "0006-2960" , jta "A0G" } , imp { date std { year 1994 , month 12 , day 27 } , volume "33" , issue "51" , pages "15271-15282" } } } } , attribution equiv { muid 93271883 , article { title { name "Solution structure of the phosphocarrier protein HPr from Bacillus subtilis by two-dimensional NMR spectroscopy." } , authors { names std { { name name { last "Wittekind" , initials "M." } } , { name name { last "Rajagopal" , initials "P." } } , { name name { last "Branchini" , initials "B.R." } } , { name name { last "Reizer" , initials "J." } } , { name name { last "Saier" , initials "M.H." , suffix "Jr." } } , { name name { last "Klevit" , initials "R.E." } } } , affil str "Department of Biochemistry, University of Washington, Seattle 98195." } , from journal { title { iso-jta "Protein Sci." , ml-jta "Protein Sci" , issn "0961-8368" , jta "BNW" } , imp { date std { year 1992 , month 10 } , volume "1" , issue "10" , pages "1363-1376" } } } } , attribution equiv { muid 91002557 , article { title { name "Sequence-specific 1H NMR resonance assignments of Bacillus subtilis HPr: use of spectra obtained from mutants to resolve spectral overlap." } , authors { names std { { name name { last "Wittekind" , initials "M." } } , { name name { last "Reizer" , initials "J." } } , { name name { last "Klevit" , initials "R.E." } } } , affil str "Department of Biochemistry, University of Washington, Seattle 98195." } , from journal { title { iso-jta "Biochemistry" , ml-jta "Biochemistry" , issn "0006-2960" , jta "A0G" } , imp { date std { year 1990 , month 8 , day 7 } , volume "29" , issue "31" , pages "7191-7200" } } } } } , chemical-graph { descr { name "Nmr Structure Of Histidine Phosphorylated Form Of The Phosphocarrier Histidine Containing Protein From Bacillus Subtilis, Nmr, 25 Structures" , pdb-comment "Nmr Structure Of Histidine Phosphorylated Form Of The Phosphocarrier Histidine Containing Protein From Bacillus Subtilis, Nmr, 25 Structures Histidine Containing Protein, Phosphohistidine, Pts Mol_id: 1; Molecule: Histidine Containing Protein; Chain: Null; Synonym: Hpr; Mutation: M51v" , pdb-class "Phosphotransferase" , pdb-source "Mol_id: 1; Organism_scientific: Bacillus Subtilis; Expression_system: Escherichia Coli; Expression_system_strain: Gm-1" } , molecule-graphs { { id 1 , descr { name " " , pdb-comment "SEQRES" , molecule-type protein , organism { org { taxname "Bacillus subtilis" , db { { db "taxon" , tag id 1423 } } , orgname { name binomial { genus "Bacillus" , species "subtilis" } , lineage "Eubacteria; Firmicutes; Low G+C gram-positive bacteria; Bacillaceae; Bacillus" , gcode 11 , div "BCT" } } } } , seq-id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } , residue-sequence { { id 1 , name " 2 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 3 } } , { id 2 , name " 3 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 16 } } , { id 3 , name " 4 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 34 } } , { id 4 , name " 5 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 49 } } , { id 5 , name " 6 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 40 } } , { id 6 , name " 7 " , residue-graph standard { biostruc-residue-graph-set-id other-database { db "Standard residue dictionary" , tag id 1 } , residue-graph-id 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atom-id-1 { molecule-id 1 , residue-id 28 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 29 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 29 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 30 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 30 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 31 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 31 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 32 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 32 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 33 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 33 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 34 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 34 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 35 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 35 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 36 , atom-id 17 } } , { atom-id-1 { molecule-id 1 , residue-id 36 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 37 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 37 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 38 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 38 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 39 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 39 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 40 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 40 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 41 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 41 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 42 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 42 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 43 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 43 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 44 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 44 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 45 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 45 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 46 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 46 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 47 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 47 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 48 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 48 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 49 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 49 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 50 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 50 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 51 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 51 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 52 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 52 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 53 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 53 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 54 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 54 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 55 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 55 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 56 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 56 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 57 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 57 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 58 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 58 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 59 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 59 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 60 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 60 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 61 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 61 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 62 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 62 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 63 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 63 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 64 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 64 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 65 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 65 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 66 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 66 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 67 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 67 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 68 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 68 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 69 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 69 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 70 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 70 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 71 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 71 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 72 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 72 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 73 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 73 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 74 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 74 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 75 , atom-id 6 } } , { atom-id-1 { molecule-id 1 , residue-id 75 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 76 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 76 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 77 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 77 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 78 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 78 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 79 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 79 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 80 , atom-id 8 } } , { atom-id-1 { molecule-id 1 , residue-id 80 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 81 , atom-id 9 } } , { atom-id-1 { molecule-id 1 , residue-id 81 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 82 , atom-id 7 } } , { atom-id-1 { molecule-id 1 , residue-id 82 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 83 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 83 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 84 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 84 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 85 , atom-id 10 } } , { atom-id-1 { molecule-id 1 , residue-id 85 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 86 , atom-id 4 } } , { atom-id-1 { molecule-id 1 , residue-id 86 , atom-id 1 } , atom-id-2 { molecule-id 1 , residue-id 87 , atom-id 10 } } } } } , residue-graphs { { id 1 , descr { name "HIP" , pdb-comment "" } , residue-type amino-acid , iupac-code { "X" } , atoms { { id 1 , name " N " , iupac-code { " N " } , element n } , { id 2 , name " CA " , iupac-code { " CA " } , element c } , { id 3 , name " CB " , iupac-code { " CB " } , element c } , { id 4 , name " CG " , iupac-code { " CG " } , element c } , { id 5 , name " CD2" , iupac-code { " CD2" } , element c } , { id 6 , name " NE2" , iupac-code { " NE2" } , element n } , { id 7 , name " CE1" , iupac-code { " CE1" } , element c } , { id 8 , name " ND1" , iupac-code { " ND1" } , element n } , { id 9 , name " P " , iupac-code { " P " } , element p } , { id 10 , name " O1P" , iupac-code { " O1P" } , element o } , { id 11 , name " O2P" , iupac-code { " O2P" } , element o } , { id 12 , name " OXT" , iupac-code { " OXT" } , element o } , { id 13 , name " C " , iupac-code { " C " } , element c } , { id 14 , name " O " , iupac-code { " O " } , element o } , { id 15 , name "1HN " , iupac-code { "1HN " } , element h } , { id 16 , name " HA " , iupac-code { " HA " } , element h } , { id 17 , name "1HB " , iupac-code { "1HB " } , element h } , { id 18 , name "2HB " , iupac-code { "2HB " } , element h } , { id 19 , name " HD2" , iupac-code { " HD2" } , element h } , { id 20 , name " HE2" , iupac-code { " HE2" } , element h } , { id 21 , name " HE1" , iupac-code { " HE1" } , element h } } , bonds { { atom-id-1 1 , atom-id-2 2 , bond-order unknown } , { atom-id-1 1 , atom-id-2 15 , bond-order unknown } , { atom-id-1 2 , atom-id-2 3 , bond-order unknown } , { atom-id-1 2 , atom-id-2 13 , bond-order unknown } , { atom-id-1 2 , atom-id-2 16 , bond-order unknown } , { atom-id-1 3 , atom-id-2 4 , bond-order unknown } , { atom-id-1 3 , atom-id-2 17 , bond-order unknown } , { atom-id-1 3 , atom-id-2 18 , bond-order unknown } , { atom-id-1 4 , atom-id-2 5 , bond-order unknown } , { atom-id-1 4 , atom-id-2 8 , bond-order unknown } , { atom-id-1 5 , atom-id-2 6 , bond-order unknown } , { atom-id-1 5 , atom-id-2 19 , bond-order unknown } , { atom-id-1 6 , atom-id-2 7 , bond-order unknown } , { atom-id-1 6 , atom-id-2 20 , bond-order unknown } , { atom-id-1 7 , atom-id-2 8 , bond-order unknown } , { atom-id-1 7 , atom-id-2 21 , bond-order unknown } , { atom-id-1 8 , atom-id-2 9 , bond-order unknown } , { atom-id-1 9 , atom-id-2 10 , bond-order unknown } , { atom-id-1 9 , atom-id-2 11 , bond-order unknown } , { atom-id-1 9 , atom-id-2 12 , bond-order unknown } , { atom-id-1 13 , atom-id-2 14 , bond-order unknown } } } } } , features { { id 1 , descr { name "PDB secondary structure" } , features { { id 1 , name " 1" , type helix , location subgraph residues interval { { molecule-id 1 , from 16 , to 27 } } } , { id 2 , name " 2" , type helix , location subgraph residues interval { { molecule-id 1 , from 46 , to 52 } } } , { id 3 , name " 3" , type helix , location subgraph residues interval { { molecule-id 1 , from 69 , to 83 } } } , { id 4 , name " A 1" , type strand , location subgraph residues interval { { molecule-id 1 , from 2 , to 7 } } } , { id 5 , name " A 2" , type strand , location subgraph residues interval { { molecule-id 1 , from 58 , to 63 } } } , { id 6 , name " B 1" , type strand , location subgraph residues interval { { molecule-id 1 , from 33 , to 36 } } } , { id 7 , name " B 2" , type strand , location subgraph residues interval { { molecule-id 1 , from 39 , to 42 } } } } } , { id 2 , descr { name "NCBI assigned secondary structure" } , features { { id 1 , name "helix 1" , type helix , location subgraph residues interval { { molecule-id 1 , from 16 , to 27 } } } , { id 2 , name "helix 2" , type helix , location subgraph residues interval { { molecule-id 1 , from 45 , to 52 } } } , { id 3 , name "helix 3" , type helix , location subgraph residues interval { { molecule-id 1 , from 69 , to 82 } } } , { id 4 , name "strand 1" , type strand , location subgraph residues interval { { molecule-id 1 , from 1 , to 8 } } } , { id 5 , name "strand 2" , type strand , location subgraph residues interval { { molecule-id 1 , from 30 , to 37 } } } , { id 6 , name "strand 3" , type strand , location subgraph residues interval { { molecule-id 1 , from 38 , to 43 } } } , { id 7 , name "strand 4" , type strand , location subgraph residues interval { { molecule-id 1 , from 57 , to 66 } } } } } } , model { { id 2 , type ncbi-backbone , descr { name "Single-coordinate-per-residue model from PDB entry 1JEM with a vector model attached" , pdb-method "Nmr, 25 Structures" , pdb-comment "JUL 23 97 Initial Entry" } , model-space { coordinate-units angstroms } , model-coordinates { { id 1 , coordinates literal atomic { number-of-points 107 , atoms { number-of-ptrs 107 , molecule-ids { 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 , 1 } , residue-ids { 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , 44 , 45 , 46 , 47 , 48 , 49 , 50 , 51 , 52 , 53 , 54 , 55 , 56 , 57 , 58 , 59 , 60 , 61 , 62 , 63 , 64 , 65 , 66 , 67 , 68 , 69 , 70 , 71 , 72 , 73 , 74 , 75 , 76 , 77 , 78 , 79 , 80 , 81 , 82 , 83 , 84 , 85 , 86 , 87 } , atom-ids { 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 } } , sites { scale-factor 1000 , x { -5994 , -4631 , -5807 , -4229 , -4446 , -3953 , -1451 , -2870 , -1564 , 262 , 3234 , 3038 , 3764 , 5445 , 6744 , 7259 , 6437 , 5092 , 4839 , 6027 , 7023 , 8454 , 8602 , 9030 , 9033 , 6587 , 5850 , 4845 , 7462 , 7229 , 8273 , 4348 , 3968 , 6175 , 7220 , 3970 , 1698 , 4087 , 3367 , -428 , -240 , 2300 , -137 , -3105 , -1416 , 380 , -2863 , -3195 , -763 , -1096 , 2010 , 641 , 3329 , 3088 , 4603 , 6193 , 8865 , 9202 , 10105 , 7978 , 8521 , 6747 , 3830 , 5456 , 8545 , 8385 , 12107 , 11866 , 9081 , 11211 , 13670 , 10816 , 9830 , 6308 , 4538 , 1251 , 344 , 1685 , 347 , 930 , 85 , -728 , -1074 , -2069 , -822 , -1408 , -4356 , -6585 , -5001 , -8477 , -9082 , -5755 , -6212 , -9642 , -8254 , -5606 , -8173 , -10625 , -7602 , -6736 , -10349 , -10492 , -7711 , -7455 , -4001 , -5193 , -8241 } , y { -9245 , -5674 , -2065 , 1371 , 3592 , 7388 , 8832 , 11991 , 11693 , 14681 , 12637 , 10311 , 6552 , 6863 , 6583 , 7861 , 8218 , 8406 , 8763 , 8786 , 8468 , 8783 , 9676 , 9422 , 7446 , 5395 , 4467 , 7544 , 6298 , 8683 , 7702 , 8304 , 8958 , 9030 , 4233 , 5154 , 4167 , 1321 , -228 , 31 , -1711 , -4434 , -5335 , -5719 , -7682 , -9624 , -11461 , -12329 , -15003 , -13638 , -11801 , -8240 , -5740 , -1957 , -108 , 3377 , 5114 , 1877 , -39 , -2969 , -3527 , -6220 , -4656 , -6332 , -4079 , -1037 , -284 , -965 , 1626 , 4299 , 4115 , 5170 , 8196 , 8637 , 11976 , 13749 , 14010 , 10601 , 7233 , 3613 , 242 , -2715 , -6337 , -9337 , -12721 , -15856 , -17674 , -14908 , -12222 , -10663 , -10538 , -8701 , -5895 , -4933 , -5210 , -2481 , -493 , -55 , 894 , 3744 , 5004 , 4727 , 7285 , 8774 , 7670 , 7158 , 6265 } , z { -8554 , -8329 , -7867 , -8455 , -5344 , -5280 , -2766 , -1134 , 2463 , 4008 , 5297 , 2262 , 2376 , 4104 , 4784 , 5486 , 6698 , 6874 , 8187 , 8788 , 7939 , 8160 , 9331 , 6954 , 8410 , 5760 , 5487 , 4457 , 4027 , 4784 , 5795 , 6108 , 8592 , 9830 , 7818 , 9695 , 6746 , 5819 , 9258 , 8837 , 5459 , 6409 , 9229 , 6834 , 4000 , 6789 , 7669 , 3951 , 2698 , -881 , -2160 , -2487 , -3590 , -4118 , -7115 , -7009 , -9143 , -11164 , -7974 , -6741 , -2989 , -944 , 1006 , 4045 , 3815 , 6119 , 5647 , 1880 , 1422 , 3165 , 236 , -2086 , 41 , -1390 , -820 , -1667 , -5378 , -6484 , -7720 , -6620 , -8229 , -5937 , -7136 , -4975 , -6273 , -4151 , -2518 , -1085 , -3317 , -3727 , 56 , 567 , -2015 , -583 , 2980 , 2530 , 485 , 3408 , 5565 , 3166 , 3364 , 7190 , 7800 , 4283 , 3055 , -548 , -2688 } } } } , { id 2 , descr { other-comment "strand" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 1 , to 8 } } , surface brick { corner-000 { scale-factor 1000 , x -7325 , y -8596 , z -9602 } , corner-001 { scale-factor 1000 , x -5392 , y -8824 , z -10062 } , corner-010 { scale-factor 1000 , x -7328 , y -8588 , z -9620 } , corner-011 { scale-factor 1000 , x -5395 , y -8816 , z -10080 } , corner-100 { scale-factor 1000 , x -3054 , y 12354 , z -2036 } , corner-101 { scale-factor 1000 , x -1121 , y 12126 , z -2496 } , corner-110 { scale-factor 1000 , x -3057 , y 12362 , z -2054 } , corner-111 { scale-factor 1000 , x -1124 , y 12134 , z -2514 } } } } , { id 3 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 16 , to 27 } } , surface cylinder { axis-top { scale-factor 1000 , x -3029 , y -11197 , z 6178 } , axis-bottom { scale-factor 1000 , x 4266 , y 5204 , z 8270 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 4 , descr { other-comment "strand" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 30 , to 37 } } , surface brick { corner-000 { scale-factor 1000 , x -1207 , y -13580 , z -851 } , corner-001 { scale-factor 1000 , x 379 , y -13674 , z 363 } , corner-010 { scale-factor 1000 , x -1197 , y -13590 , z -865 } , corner-011 { scale-factor 1000 , x 389 , y -13684 , z 349 } , corner-100 { scale-factor 1000 , x 6662 , y 5786 , z -9634 } , corner-101 { scale-factor 1000 , x 8248 , y 5692 , z -8420 } , corner-110 { scale-factor 1000 , x 6672 , y 5776 , z -9648 } , corner-111 { scale-factor 1000 , x 8258 , y 5682 , z -8434 } } } } , { id 5 , descr { other-comment "strand" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 38 , to 43 } } , surface brick { corner-000 { scale-factor 1000 , x 9421 , y 1066 , z -11490 } , corner-001 { scale-factor 1000 , x 11256 , y 367 , z -11108 } , corner-010 { scale-factor 1000 , x 9426 , y 1083 , z -11480 } , corner-011 { scale-factor 1000 , x 11261 , y 384 , z -11098 } , corner-100 { scale-factor 1000 , x 4427 , y -5273 , z 931 } , corner-101 { scale-factor 1000 , x 6262 , y -5972 , z 1313 } , corner-110 { scale-factor 1000 , x 4432 , y -5256 , z 941 } , corner-111 { scale-factor 1000 , x 6267 , y -5955 , z 1323 } } } } , { id 6 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 45 , to 52 } } , surface cylinder { axis-top { scale-factor 1000 , x 11921 , y 5847 , z -657 } , axis-bottom { scale-factor 1000 , x 9597 , y -3251 , z 5449 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } , { id 7 , descr { other-comment "strand" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 57 , to 66 } } , surface brick { corner-000 { scale-factor 1000 , x -164 , y 13958 , z -7118 } , corner-001 { scale-factor 1000 , x 1829 , y 13815 , z -7036 } , corner-010 { scale-factor 1000 , x -165 , y 13959 , z -7098 } , corner-011 { scale-factor 1000 , x 1828 , y 13816 , z -7016 } , corner-100 { scale-factor 1000 , x -2354 , y -15860 , z -5575 } , corner-101 { scale-factor 1000 , x -361 , y -16003 , z -5493 } , corner-110 { scale-factor 1000 , x -2355 , y -15859 , z -5555 } , corner-111 { scale-factor 1000 , x -362 , y -16002 , z -5473 } } } } , { id 8 , descr { other-comment "helix" } , coordinates literal surface { contents residues interval { { molecule-id 1 , from 69 , to 82 } } , surface cylinder { axis-top { scale-factor 1000 , x -8931 , y 5661 , z 5485 } , axis-bottom { scale-factor 1000 , x -7038 , y -12660 , z -2816 } , radius { scale-factor 1000 , scaled-integer-value 2000 } } } } } } } } } , alignments { id { mmdb-id 99999 } , descr { name "99999" } , features { { id 999990100 , descr { name "VS13 0" } , features { { id 111401001 , name "VS13 0 1HBG 0" , type alignment , location alignment { dimension 2 , biostruc-ids { mmdb-id 99999 , mmdb-id 1114 } , alignment { residues interval { { molecule-id 1 , from 1 , to 36 } , { molecule-id 1 , from 37 , to 54 } , { molecule-id 1 , from 72 , to 97 } , { molecule-id 1 , from 98 , to 114 } } , residues interval { { molecule-id 1 , from 12 , to 47 } , { molecule-id 1 , from 54 , to 71 } , { molecule-id 1 , from 97 , to 122 } , { molecule-id 1 , from 126 , to 142 } } } , transform { { id 1 , moves { translate { scale-factor 10000 , tran-1 -105849 , tran-2 -107181 , tran-3 -93004 } , rotate { scale-factor 10000 , rot-11 9303 , rot-12 -401 , rot-13 -3647 , rot-21 -3288 , rot-22 -5322 , rot-23 -7801 , rot-31 -1628 , rot-32 8457 , rot-33 -5083 } , translate { scale-factor 10000 , tran-1 132385 , tran-2 269318 , tran-3 36365 } } } } , aligndata { { scale-factor 10000 , vast-score 63810 , vast-mlogp 49610 , align-res 97 , rmsd 28861 , other-score 619 } } } } , { id 136401001 , name "VS13 0 1ITHA0" , type alignment , location alignment { dimension 2 , biostruc-ids { mmdb-id 99999 , mmdb-id 1364 } , alignment { residues interval { { molecule-id 1 , from 7 , to 27 } , { molecule-id 1 , from 37 , to 54 } , { molecule-id 1 , from 63 , to 90 } , { molecule-id 1 , from 91 , to 99 } } , residues interval { { molecule-id 1 , from 17 , to 37 } , { molecule-id 1 , from 60 , to 77 } , { molecule-id 1 , from 89 , to 116 } , { molecule-id 1 , from 118 , to 126 } } } , transform { { id 1 , moves { translate { scale-factor 10000 , tran-1 -118627 , tran-2 -383392 , tran-3 -87323 } , rotate { scale-factor 10000 , rot-11 4891 , rot-12 -8677 , rot-13 885 , rot-21 -7732 , rot-22 -3845 , rot-23 5043 , rot-31 -4036 , rot-32 -3151 , rot-33 -8590 } , translate { scale-factor 10000 , tran-1 131622 , tran-2 264417 , tran-3 47231 } } } } , aligndata { { scale-factor 10000 , vast-score 61870 , vast-mlogp 49310 , align-res 76 , rmsd 22988 , other-score 1579 } } } } , { id 624501001 , name "VS13 0 1JEM 0" , type alignment , location alignment { dimension 2 , biostruc-ids { mmdb-id 99999 , mmdb-id 6245 } , alignment { residues interval { { molecule-id 1 , from 13 , to 22 } , { molecule-id 1 , from 45 , to 48 } , { molecule-id 1 , from 89 , to 92 } } , residues interval { { molecule-id 1 , from 19 , to 28 } , { molecule-id 1 , from 45 , to 48 } , { molecule-id 1 , from 76 , to 79 } } } , transform { { id 1 , moves { translate { scale-factor 10000 , tran-1 -1978 , tran-2 37218 , tran-3 -54380 } , rotate { scale-factor 10000 , rot-11 -5026 , rot-12 -8520 , rot-13 1465 , rot-21 4694 , rot-22 -4112 , rot-23 -7814 , rot-31 7260 , rot-32 -3240 , rot-33 6065 } , translate { scale-factor 10000 , tran-1 185663 , tran-2 265561 , tran-3 52224 } } } } , aligndata { { scale-factor 10000 , vast-score 41780 , vast-mlogp 37210 , align-res 18 , rmsd 10819 , other-score 2222 } } } } } } } } , sequences { set { class genbank , seq-set { seq { id { local str "VS13 0" } , descr { pdb { deposition std { year 0 } , class "Query Protein" , compound { "" } , source { "NA" } } , comment "Revision History:~ NA NA " , pub { pub { sub { authors { names str { "karina" } } , imp { date std { year 0 } } } } } , comment "Sequence derived from ATOM co-ordinates." , num enum { num 116 , names { "6" , "7" , "8" , "9" , "10" , "11" , "12" , "13" , "14" , "15" , "16" , "17" , "18" , "19" , "20" , "21" , "22" , "23" , "24" , "25" , "26" , "27" , "28" , "29" , "30" , "31" , "32" , "33" , "34" , "35" , "36" , "37" , "38" , "39" , "40" , "41" , "42" , "43" , "44" , "45" , "46" , "47" , "48" , "49" , "50" , "51" , "52" , "53" , "54" , "55" , "56" , "57" , "58" , "59" , "60" , "61" , "62" , "63" , "64" , "65" , "66" , "67" , "68" , "69" , "70" , "71" , "72" , "73" , "74" , "75" , "76" , "77" , "78" , "79" , "80" , "81" , "82" , "83" , "84" , "85" , "86" , "87" , "88" , "89" , "90" , "91" , "92" , "93" , "94" , "95" , "96" , "97" , "98" , "99" , "100" , "101" , "102" , "103" , "104" , "105" , "106" , "107" , "108" , "109" , "110" , "111" , "112" , "113" , "114" , "115" , "116" , "117" , "118" , "119" , "120" , "121" } } } , inst { repr raw , mol aa , length 116 , seq-data iupacaa "TIYEKLGGENAMKAAVPLFYKKVLADERVKHFFKNTDMDHQTKQQTDFLTMLLGG PNHYKGKNMTEAHKGMNLQNLHFDAIIENLAATLKELGVTDAVINEAAKVIEHTRKDMLGK" } , annot { { data ftable { { data psec-str helix , comment "helix 1" , location int { from 8 , to 24 , id local str "VS13 0" } } , { data psec-str helix , comment "helix 2" , location int { from 37 , to 52 , id local str "VS13 0" } } , { data psec-str helix , comment "helix 3" , location int { from 74 , to 91 , id local str "VS13 0" } } , { data psec-str helix , comment "helix 4" , location int { from 95 , to 105 , id local str "VS13 0" } } } } } } , seq { id { pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } , gi 229957 } , descr { pdb { deposition std { year 1991 , month 2 , day 11 } , class "Oxygen Transport" , compound { "Hemoglobin (Carbon Monoxy)" } , source { "Marine Bloodworm (Glycera dibranchiata)" } , exp-method "X-Ray Diffraction" } , comment "Revision History:~JUL 15 92 Initial Entry" , pub { pub { sub { authors { names std { { name name { last "Arents" , full "G.A.Arents" , initials "G.A." } } , { name name { last "Braden" , full "B.C.Braden" , initials "B.C." } } , { name name { last "Padlan" , full "E.A.Padlan" , initials "E.A." } } , { name name { last "Love" , full "W.E.Love" , initials "W.E." } } } } , imp { date std { year 1991 , month 2 , day 11 } } } } } , pub { pub { muid 90064543 , article { title { name "Glycera dibranchiata hemoglobin. Structure and refinement at 1.5 A resolution." } , authors { names std { { name name { last "Arents" , initials "G." } } , { name name { last "Love" , initials "W.E." } } } , affil str "Thomas C. Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, MD 21218." } , from journal { title { iso-jta "J. Mol. Biol." , ml-jta "J Mol Biol" , issn "0022-2836" , jta "J6V" } , imp { date std { year 1989 , month 11 , day 5 } , volume "210" , issue "1" , pages "149-161" , retract { type in-error , exp "[published erratum appears in J Mol Biol 1990 Oct 5;215(3):473]" } } } } } } , source { org { taxname "Glycera dibranchiata" , db { { db "taxon" , tag id 6350 } } , orgname { name binomial { genus "Glycera" , species "dibranchiata" } , lineage "Eukaryotae; mitochondrial eukaryotes; Metazoa; Annelida; Polychaeta; Phyllodocida; Glyceridae; Glycera" , gcode 1 , mgcode 5 , div "INV" } } } , num enum { num 147 , names { "1" , "2" , "3" , "4" , "5" , "6" , "7" , "8" , "9" , "10" , "11" , "12" , "13" , "14" , "15" , "16" , "17" , "18" , "19" , "20" , "21" , "22" , "23" , "24" , "25" , "26" , "27" , "28" , "29" , "30" , "31" , "32" , "33" , "34" , "35" , "36" , "37" , "38" , "39" , "40" , "41" , "42" , "43" , "44" , "45" , "46" , "47" , "48" , "49" , "50" , "51" , "52" , "53" , "54" , "55" , "56" , "57" , "58" , "59" , "60" , "61" , "62" , "63" , "64" , "65" , "66" , "67" , "68" , "69" , "70" , "71" , "72" , "73" , "74" , "75" , "76" , "77" , "78" , "79" , "80" , "81" , "82" , "83" , "84" , "85" , "86" , "87" , "88" , "89" , "90" , "91" , "92" , "93" , "94" , "95" , "96" , "97" , "98" , "99" , "100" , "101" , "102" , "103" , "104" , "105" , "106" , "107" , "108" , "109" , "110" , "111" , "112" , "113" , "114" , "115" , "116" , "117" , "118" , "119" , "120" , "121" , "122" , "123" , "124" , "125" , "126" , "127" , "128" , "129" , "130" , "131" , "132" , "133" , "134" , "135" , "136" , "137" , "138" , "139" , "140" , "141" , "142" , "143" , "144" , "145" , "146" , "147" } } } , inst { repr raw , mol aa , length 147 , seq-data iupacaa "GLSAAQRQVIAATWKDIAGADNGAGVGKKCLIKFLSAHPQMAAVFGFSGASDPGV AALGAKVLAQIGVAVSHLGDEGKMVAQMKAVGVRHKGYGNKHIKAQYFEPLGASLLSAMEHRIGGKMNAAAKDAWAAA YADISGALISGLQS" } , annot { { data ftable { { data psec-str helix , comment "helix 1" , location int { from 3 , to 12 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } , { data psec-str helix , comment "helix 2" , location int { from 23 , to 37 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } , { data psec-str helix , comment "helix 3" , location int { from 54 , to 71 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } , { data psec-str helix , comment "helix 4" , location int { from 75 , to 89 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } , { data psec-str helix , comment "helix 5" , location int { from 103 , to 117 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } , { data psec-str helix , comment "helix 6" , location int { from 123 , to 145 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } , { data het "(HEM, 148 ) Protoporphyrin Ix" , location bond { a { point 89 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } } } } } } , seq { id { pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } , gi 443051 } , descr { source { org { taxname "Urechis caupo" , db { { db "taxon" , tag id 6431 } } , orgname { name binomial { genus "Urechis" , species "caupo" } , lineage "Eukaryotae; mitochondrial eukaryotes; Metazoa; Echiura; Xenopneusta; Urechidae; Urechis" , gcode 1 , mgcode 5 , div "INV" } } } , num enum { num 141 , names { "1" , "2" , "3" , "4" , "5" , "6" , "7" , "8" , "9" , "10" , "11" , "12" , "13" , "14" , "15" , "16" , "17" , "18" , "19" , "20" , "21" , "22" , "23" , "24" , "25" , "26" , "27" , "28" , "29" , "30" , "31" , "32" , "33" , "34" , "35" , "36" , "37" , "38" , "39" , "40" , "41" , "42" , "43" , "44" , "45" , "46" , "47" , "48" , "49" , "50" , "51" , "52" , "53" , "54" , "55" , "56" , "57" , "58" , "59" , "60" , "61" , "62" , "63" , "64" , "65" , "66" , "67" , "68" , "69" , "70" , "71" , "72" , "73" , "74" , "75" , "76" , "77" , "78" , "79" , "80" , "81" , "82" , "83" , "84" , "85" , "86" , "87" , "88" , "89" , "90" , "91" , "92" , "93" , "94" , "95" , "96" , "97" , "98" , "99" , "100" , "101" , "102" , "103" , "104" , "105" , "106" , "107" , "108" , "109" , "110" , "111" , "112" , "113" , "114" , "115" , "116" , "117" , "118" , "119" , "120" , "121" , "122" , "123" , "124" , "125" , "126" , "127" , "128" , "129" , "130" , "131" , "132" , "133" , "134" , "135" , "136" , "137" , "138" , "139" , "140" , "141" } } } , inst { repr raw , mol aa , length 141 , seq-data iupacaa "GLTAAQIKAIQDHWFLNIKGCLQAAADSIFFKYLTAYPGDLAFFHKFSSVPLYGL RSNPAYKAQTLTVINYLDKVVDALGGNAGALMKAKVPSHDAMGITPKHFGQLLKLVGGVFQEEFSADPTTVAAWGDAA GVLVAAMK" } , annot { { data ftable { { data psec-str helix , comment "helix 1" , location int { from 3 , to 15 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } , { data psec-str helix , comment "helix 2" , location int { from 22 , to 35 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } , { data psec-str helix , comment "helix 3" , location int { from 58 , to 77 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } , { data psec-str helix , comment "helix 4" , location int { from 82 , to 96 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } , { data psec-str helix , comment "helix 5" , location int { from 101 , to 116 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } , { data psec-str helix , comment "helix 6" , location int { from 122 , to 138 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } , { data het "(HEM, 1 ) Protoporphyrin Ix Contains Fe(Ii)" , location bond { a { point 93 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } } } } } } , seq { id { pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } , gi 2392391 } , descr { pdb { deposition std { year 1997 , month 4 , day 1 } , class "Phosphotransferase" , compound { "Nmr Structure Of Histidine Phosphorylated Form Of The Phosphocarrier Histidine Containing Protein From Bacillus Subtilis, Nmr, 25 Structures" } , source { "Mol_id: 1; Organism_scientific: Bacillus Subtilis; Expression_system: Escherichia Coli; Expression_system_strain: Gm-1" } , exp-method "Nmr, 25 Structures" } , comment "Revision History:~JUL 23 97 Initial Entry" , pub { pub { sub { authors { names std { { name name { last "Jones" , full "B.E.Jones" , initials "B.E." } } , { name name { last "Rajagopal" , full "P.Rajagopal" , initials "P." } } , { name name { last "Klevit" , full "R.E.Klevit" , initials "R.E." } } } } , imp { date std { year 1997 , month 4 , day 1 } } } } } , pub { pub { gen { cit "To Be Published" , authors { names std { { name name { last "Jones" , full "B.E.Jones" , initials "B.E." } } , { name name { last "Rajagopal" , full "P.Rajagopal" , initials "P." } } , { name name { last "Klevit" , full "R.E.Klevit" , initials "R.E." } } } } , title "Phosphorylation On Histidine Is Accompanied By Localized Structural Changes In The Phosphocarrier Protein, Hpr" } } } , pub { pub { muid 95101620 , article { title { name "Structural consequences of histidine phosphorylation: NMR characterization of the phosphohistidine form of histidine-containing protein from Bacillus subtilis and Escherichia coli." } , authors { names std { { name name { last "Rajagopal" , initials "P." } } , { name name { last "Waygood" , initials "E.B." } } , { name name { last "Klevit" , initials "R.E." } } } , affil str "Department of Biochemistry, University of Washington, Seattle 98195." } , from journal { title { iso-jta "Biochemistry" , ml-jta "Biochemistry" , issn "0006-2960" , jta "A0G" } , imp { date std { year 1994 , month 12 , day 27 } , volume "33" , issue "51" , pages "15271-15282" } } } } } , pub { pub { muid 93271883 , article { title { name "Solution structure of the phosphocarrier protein HPr from Bacillus subtilis by two-dimensional NMR spectroscopy." } , authors { names std { { name name { last "Wittekind" , initials "M." } } , { name name { last "Rajagopal" , initials "P." } } , { name name { last "Branchini" , initials "B.R." } } , { name name { last "Reizer" , initials "J." } } , { name name { last "Saier" , initials "M.H." , suffix "Jr." } } , { name name { last "Klevit" , initials "R.E." } } } , affil str "Department of Biochemistry, University of Washington, Seattle 98195." } , from journal { title { iso-jta "Protein Sci." , ml-jta "Protein Sci" , issn "0961-8368" , jta "BNW" } , imp { date std { year 1992 , month 10 } , volume "1" , issue "10" , pages "1363-1376" } } } } } , pub { pub { muid 91002557 , article { title { name "Sequence-specific 1H NMR resonance assignments of Bacillus subtilis HPr: use of spectra obtained from mutants to resolve spectral overlap." } , authors { names std { { name name { last "Wittekind" , initials "M." } } , { name name { last "Reizer" , initials "J." } } , { name name { last "Klevit" , initials "R.E." } } } , affil str "Department of Biochemistry, University of Washington, Seattle 98195." } , from journal { title { iso-jta "Biochemistry" , ml-jta "Biochemistry" , issn "0006-2960" , jta "A0G" } , imp { date std { year 1990 , month 8 , day 7 } , volume "29" , issue "31" , pages "7191-7200" } } } } } , source { org { taxname "Bacillus subtilis" , db { { db "taxon" , tag id 1423 } } , orgname { name binomial { genus "Bacillus" , species "subtilis" } , lineage "Eubacteria; Firmicutes; Low G+C gram-positive bacteria; Bacillaceae; Bacillus" , gcode 11 , div "BCT" } } } , num enum { num 87 , names { "2" , "3" , "4" , "5" , "6" , "7" , "8" , "9" , "10" , "11" , "12" , "13" , "14" , "15" , "16" , "17" , "18" , "19" , "20" , "21" , "22" , "23" , "24" , "25" , "26" , "27" , "28" , "29" , "30" , "31" , "32" , "33" , "34" , "35" , "36" , "37" , "38" , "39" , "40" , "41" , "42" , "43" , "44" , "45" , "46" , "47" , "48" , "49" , "50" , "51" , "52" , "53" , "54" , "55" , "56" , "57" , "58" , "59" , "60" , "61" , "62" , "63" , "64" , "65" , "66" , "67" , "68" , "69" , "70" , "71" , "72" , "73" , "74" , "75" , "76" , "77" , "78" , "79" , "80" , "81" , "82" , "83" , "84" , "85" , "86" , "87" , "88" } } } , inst { repr raw , mol aa , length 87 , seq-data iupacaa "AQKTFKVTADSGIXARPATVLVQTASKYDADVNLEYNGKTVNLKSIMGVVSLGIA KGAEITISASGADENDALNALEETMKSEGLGE" } , annot { { data ftable { { data non-std-residue "HIP" , location pnt { point 13 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str helix , comment "helix 1" , location int { from 15 , to 26 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str helix , comment "helix 2" , location int { from 44 , to 51 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str helix , comment "helix 3" , location int { from 68 , to 81 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str sheet , comment "strand 1" , location int { from 0 , to 7 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str sheet , comment "strand 2" , location int { from 29 , to 36 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str sheet , comment "strand 3" , location int { from 37 , to 42 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str sheet , comment "strand 4" , location int { from 56 , to 65 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } } } } } , seq { id { pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } , gi 229957 } , descr { pdb { deposition std { year 1991 , month 2 , day 11 } , class "Oxygen Transport" , compound { "Hemoglobin (Carbon Monoxy)" } , source { "Marine Bloodworm (Glycera dibranchiata)" } , exp-method "X-Ray Diffraction" } , comment "Revision History:~JUL 15 92 Initial Entry" , pub { pub { sub { authors { names std { { name name { last "Arents" , full "G.A.Arents" , initials "G.A." } } , { name name { last "Braden" , full "B.C.Braden" , initials "B.C." } } , { name name { last "Padlan" , full "E.A.Padlan" , initials "E.A." } } , { name name { last "Love" , full "W.E.Love" , initials "W.E." } } } } , imp { date std { year 1991 , month 2 , day 11 } } } } } , pub { pub { muid 90064543 , article { title { name "Glycera dibranchiata hemoglobin. Structure and refinement at 1.5 A resolution." } , authors { names std { { name name { last "Arents" , initials "G." } } , { name name { last "Love" , initials "W.E." } } } , affil str "Thomas C. Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, MD 21218." } , from journal { title { iso-jta "J. Mol. Biol." , ml-jta "J Mol Biol" , issn "0022-2836" , jta "J6V" } , imp { date std { year 1989 , month 11 , day 5 } , volume "210" , issue "1" , pages "149-161" , retract { type in-error , exp "[published erratum appears in J Mol Biol 1990 Oct 5;215(3):473]" } } } } } } , source { org { taxname "Glycera dibranchiata" , db { { db "taxon" , tag id 6350 } } , orgname { name binomial { genus "Glycera" , species "dibranchiata" } , lineage "Eukaryotae; mitochondrial eukaryotes; Metazoa; Annelida; Polychaeta; Phyllodocida; Glyceridae; Glycera" , gcode 1 , mgcode 5 , div "INV" } } } , num enum { num 147 , names { "1" , "2" , "3" , "4" , "5" , "6" , "7" , "8" , "9" , "10" , "11" , "12" , "13" , "14" , "15" , "16" , "17" , "18" , "19" , "20" , "21" , "22" , "23" , "24" , "25" , "26" , "27" , "28" , "29" , "30" , "31" , "32" , "33" , "34" , "35" , "36" , "37" , "38" , "39" , "40" , "41" , "42" , "43" , "44" , "45" , "46" , "47" , "48" , "49" , "50" , "51" , "52" , "53" , "54" , "55" , "56" , "57" , "58" , "59" , "60" , "61" , "62" , "63" , "64" , "65" , "66" , "67" , "68" , "69" , "70" , "71" , "72" , "73" , "74" , "75" , "76" , "77" , "78" , "79" , "80" , "81" , "82" , "83" , "84" , "85" , "86" , "87" , "88" , "89" , "90" , "91" , "92" , "93" , "94" , "95" , "96" , "97" , "98" , "99" , "100" , "101" , "102" , "103" , "104" , "105" , "106" , "107" , "108" , "109" , "110" , "111" , "112" , "113" , "114" , "115" , "116" , "117" , "118" , "119" , "120" , "121" , "122" , "123" , "124" , "125" , "126" , "127" , "128" , "129" , "130" , "131" , "132" , "133" , "134" , "135" , "136" , "137" , "138" , "139" , "140" , "141" , "142" , "143" , "144" , "145" , "146" , "147" } } } , inst { repr raw , mol aa , length 147 , seq-data iupacaa "GLSAAQRQVIAATWKDIAGADNGAGVGKKCLIKFLSAHPQMAAVFGFSGASDPGV AALGAKVLAQIGVAVSHLGDEGKMVAQMKAVGVRHKGYGNKHIKAQYFEPLGASLLSAMEHRIGGKMNAAAKDAWAAA YADISGALISGLQS" } , annot { { data ftable { { data psec-str helix , comment "helix 1" , location int { from 3 , to 12 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } , { data psec-str helix , comment "helix 2" , location int { from 23 , to 37 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } , { data psec-str helix , comment "helix 3" , location int { from 54 , to 71 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } , { data psec-str helix , comment "helix 4" , location int { from 75 , to 89 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } , { data psec-str helix , comment "helix 5" , location int { from 103 , to 117 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } , { data psec-str helix , comment "helix 6" , location int { from 123 , to 145 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } , { data het "(HEM, 148 ) Protoporphyrin Ix" , location bond { a { point 89 , id pdb { mol "1HBG" , rel std { year 1991 , month 2 , day 11 } } } } } } } } } , seq { id { pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } , gi 443051 } , descr { source { org { taxname "Urechis caupo" , db { { db "taxon" , tag id 6431 } } , orgname { name binomial { genus "Urechis" , species "caupo" } , lineage "Eukaryotae; mitochondrial eukaryotes; Metazoa; Echiura; Xenopneusta; Urechidae; Urechis" , gcode 1 , mgcode 5 , div "INV" } } } , num enum { num 141 , names { "1" , "2" , "3" , "4" , "5" , "6" , "7" , "8" , "9" , "10" , "11" , "12" , "13" , "14" , "15" , "16" , "17" , "18" , "19" , "20" , "21" , "22" , "23" , "24" , "25" , "26" , "27" , "28" , "29" , "30" , "31" , "32" , "33" , "34" , "35" , "36" , "37" , "38" , "39" , "40" , "41" , "42" , "43" , "44" , "45" , "46" , "47" , "48" , "49" , "50" , "51" , "52" , "53" , "54" , "55" , "56" , "57" , "58" , "59" , "60" , "61" , "62" , "63" , "64" , "65" , "66" , "67" , "68" , "69" , "70" , "71" , "72" , "73" , "74" , "75" , "76" , "77" , "78" , "79" , "80" , "81" , "82" , "83" , "84" , "85" , "86" , "87" , "88" , "89" , "90" , "91" , "92" , "93" , "94" , "95" , "96" , "97" , "98" , "99" , "100" , "101" , "102" , "103" , "104" , "105" , "106" , "107" , "108" , "109" , "110" , "111" , "112" , "113" , "114" , "115" , "116" , "117" , "118" , "119" , "120" , "121" , "122" , "123" , "124" , "125" , "126" , "127" , "128" , "129" , "130" , "131" , "132" , "133" , "134" , "135" , "136" , "137" , "138" , "139" , "140" , "141" } } } , inst { repr raw , mol aa , length 141 , seq-data iupacaa "GLTAAQIKAIQDHWFLNIKGCLQAAADSIFFKYLTAYPGDLAFFHKFSSVPLYGL RSNPAYKAQTLTVINYLDKVVDALGGNAGALMKAKVPSHDAMGITPKHFGQLLKLVGGVFQEEFSADPTTVAAWGDAA GVLVAAMK" } , annot { { data ftable { { data psec-str helix , comment "helix 1" , location int { from 3 , to 15 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } , { data psec-str helix , comment "helix 2" , location int { from 22 , to 35 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } , { data psec-str helix , comment "helix 3" , location int { from 58 , to 77 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } , { data psec-str helix , comment "helix 4" , location int { from 82 , to 96 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } , { data psec-str helix , comment "helix 5" , location int { from 101 , to 116 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } , { data psec-str helix , comment "helix 6" , location int { from 122 , to 138 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } , { data het "(HEM, 1 ) Protoporphyrin Ix Contains Fe(Ii)" , location bond { a { point 93 , id pdb { mol "1ITH" , chain 65 , rel std { year 1991 , month 12 , day 3 } } } } } } } } } , seq { id { pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } , gi 2392391 } , descr { pdb { deposition std { year 1997 , month 4 , day 1 } , class "Phosphotransferase" , compound { "Nmr Structure Of Histidine Phosphorylated Form Of The Phosphocarrier Histidine Containing Protein From Bacillus Subtilis, Nmr, 25 Structures" } , source { "Mol_id: 1; Organism_scientific: Bacillus Subtilis; Expression_system: Escherichia Coli; Expression_system_strain: Gm-1" } , exp-method "Nmr, 25 Structures" } , comment "Revision History:~JUL 23 97 Initial Entry" , pub { pub { sub { authors { names std { { name name { last "Jones" , full "B.E.Jones" , initials "B.E." } } , { name name { last "Rajagopal" , full "P.Rajagopal" , initials "P." } } , { name name { last "Klevit" , full "R.E.Klevit" , initials "R.E." } } } } , imp { date std { year 1997 , month 4 , day 1 } } } } } , pub { pub { gen { cit "To Be Published" , authors { names std { { name name { last "Jones" , full "B.E.Jones" , initials "B.E." } } , { name name { last "Rajagopal" , full "P.Rajagopal" , initials "P." } } , { name name { last "Klevit" , full "R.E.Klevit" , initials "R.E." } } } } , title "Phosphorylation On Histidine Is Accompanied By Localized Structural Changes In The Phosphocarrier Protein, Hpr" } } } , pub { pub { muid 95101620 , article { title { name "Structural consequences of histidine phosphorylation: NMR characterization of the phosphohistidine form of histidine-containing protein from Bacillus subtilis and Escherichia coli." } , authors { names std { { name name { last "Rajagopal" , initials "P." } } , { name name { last "Waygood" , initials "E.B." } } , { name name { last "Klevit" , initials "R.E." } } } , affil str "Department of Biochemistry, University of Washington, Seattle 98195." } , from journal { title { iso-jta "Biochemistry" , ml-jta "Biochemistry" , issn "0006-2960" , jta "A0G" } , imp { date std { year 1994 , month 12 , day 27 } , volume "33" , issue "51" , pages "15271-15282" } } } } } , pub { pub { muid 93271883 , article { title { name "Solution structure of the phosphocarrier protein HPr from Bacillus subtilis by two-dimensional NMR spectroscopy." } , authors { names std { { name name { last "Wittekind" , initials "M." } } , { name name { last "Rajagopal" , initials "P." } } , { name name { last "Branchini" , initials "B.R." } } , { name name { last "Reizer" , initials "J." } } , { name name { last "Saier" , initials "M.H." , suffix "Jr." } } , { name name { last "Klevit" , initials "R.E." } } } , affil str "Department of Biochemistry, University of Washington, Seattle 98195." } , from journal { title { iso-jta "Protein Sci." , ml-jta "Protein Sci" , issn "0961-8368" , jta "BNW" } , imp { date std { year 1992 , month 10 } , volume "1" , issue "10" , pages "1363-1376" } } } } } , pub { pub { muid 91002557 , article { title { name "Sequence-specific 1H NMR resonance assignments of Bacillus subtilis HPr: use of spectra obtained from mutants to resolve spectral overlap." } , authors { names std { { name name { last "Wittekind" , initials "M." } } , { name name { last "Reizer" , initials "J." } } , { name name { last "Klevit" , initials "R.E." } } } , affil str "Department of Biochemistry, University of Washington, Seattle 98195." } , from journal { title { iso-jta "Biochemistry" , ml-jta "Biochemistry" , issn "0006-2960" , jta "A0G" } , imp { date std { year 1990 , month 8 , day 7 } , volume "29" , issue "31" , pages "7191-7200" } } } } } , source { org { taxname "Bacillus subtilis" , db { { db "taxon" , tag id 1423 } } , orgname { name binomial { genus "Bacillus" , species "subtilis" } , lineage "Eubacteria; Firmicutes; Low G+C gram-positive bacteria; Bacillaceae; Bacillus" , gcode 11 , div "BCT" } } } , num enum { num 87 , names { "2" , "3" , "4" , "5" , "6" , "7" , "8" , "9" , "10" , "11" , "12" , "13" , "14" , "15" , "16" , "17" , "18" , "19" , "20" , "21" , "22" , "23" , "24" , "25" , "26" , "27" , "28" , "29" , "30" , "31" , "32" , "33" , "34" , "35" , "36" , "37" , "38" , "39" , "40" , "41" , "42" , "43" , "44" , "45" , "46" , "47" , "48" , "49" , "50" , "51" , "52" , "53" , "54" , "55" , "56" , "57" , "58" , "59" , "60" , "61" , "62" , "63" , "64" , "65" , "66" , "67" , "68" , "69" , "70" , "71" , "72" , "73" , "74" , "75" , "76" , "77" , "78" , "79" , "80" , "81" , "82" , "83" , "84" , "85" , "86" , "87" , "88" } } } , inst { repr raw , mol aa , length 87 , seq-data iupacaa "AQKTFKVTADSGIXARPATVLVQTASKYDADVNLEYNGKTVNLKSIMGVVSLGIA KGAEITISASGADENDALNALEETMKSEGLGE" } , annot { { data ftable { { data non-std-residue "HIP" , location pnt { point 13 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str helix , comment "helix 1" , location int { from 15 , to 26 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str helix , comment "helix 2" , location int { from 44 , to 51 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str helix , comment "helix 3" , location int { from 68 , to 81 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str sheet , comment "strand 1" , location int { from 0 , to 7 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str sheet , comment "strand 2" , location int { from 29 , to 36 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str sheet , comment "strand 3" , location int { from 37 , to 42 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } , { data psec-str sheet , comment "strand 4" , location int { from 56 , to 65 , id pdb { mol "1JEM" , rel std { year 1997 , month 4 , day 1 } } } } } } } } } } } , seqalign { { desc { title "VAST structural alignment for pdb|VS13| , mapped to sequence alignment" } , data align { { type partial , dim 2 , score { { id str "VAST score" , value real { 6381, 10, -3 } } , { id str "VAST p-value" , value real { 4961, 10, -3 } } , { id str "VAST root mean square deviation, measured in angstroms" , value real { 28861, 10, -4 } } , { id str "VAST aligned residue count" , value int 97 } } , segs dendiag { { dim 2 , ids { local str "VS13 0" , pdb { mol "1HBG" } } , starts { 0 , 11 } , len 36 } , { dim 2 , ids { local str "VS13 0" , pdb { mol "1HBG" } } , starts { 36 , 53 } , len 18 } , { dim 2 , ids { local str "VS13 0" , pdb { mol "1HBG" } } , starts { 71 , 96 } , len 26 } , { dim 2 , ids { local str "VS13 0" , pdb { mol "1HBG" } } , starts { 97 , 125 } , len 17 } } } , { type partial , dim 2 , score { { id str "VAST score" , value real { 6187, 10, -3 } } , { id str "VAST p-value" , value real { 4931, 10, -3 } } , { id str "VAST root mean square deviation, measured in angstroms" , value real { 22988, 10, -4 } } , { id str "VAST aligned residue count" , value int 76 } } , segs dendiag { { dim 2 , ids { local str "VS13 0" , pdb { mol "1ITH" , chain 65 } } , starts { 6 , 16 } , len 21 } , { dim 2 , ids { local str "VS13 0" , pdb { mol "1ITH" , chain 65 } } , starts { 36 , 59 } , len 18 } , { dim 2 , ids { local str "VS13 0" , pdb { mol "1ITH" , chain 65 } } , starts { 62 , 88 } , len 28 } , { dim 2 , ids { local str "VS13 0" , pdb { mol "1ITH" , chain 65 } } , starts { 90 , 117 } , len 9 } } } , { type partial , dim 2 , score { { id str "VAST score" , value real { 4178, 10, -3 } } , { id str "VAST p-value" , value real { 3721, 10, -3 } } , { id str "VAST root mean square deviation, measured in angstroms" , value real { 10819, 10, -4 } } , { id str "VAST aligned residue count" , value int 18 } } , segs dendiag { { dim 2 , ids { local str "VS13 0" , pdb { mol "1JEM" } } , starts { 12 , 18 } , len 10 } , { dim 2 , ids { local str "VS13 0" , pdb { mol "1JEM" } } , starts { 44 , 44 } , len 4 } , { dim 2 , ids { local str "VS13 0" , pdb { mol "1JEM" } } , starts { 88 , 75 } , len 4 } } } } } } }