==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 02-JAN-12 3VBD . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.MADER,J.BRYNDA,P.REZACOVA . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12058.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 22.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 23 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 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 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 1 0 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1003 A H 0 0 183 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 73.1 13.2 -1.1 7.2 2 1004 A H - 0 0 138 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.376 360.0 -92.4 -84.2 157.0 9.7 -0.1 8.2 3 1005 A W + 0 0 33 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.301 60.8 135.7 -65.8 155.3 7.7 -1.6 11.0 4 1006 A G - 0 0 11 5,-2.9 10,-0.1 2,-0.2 -1,-0.1 -0.758 63.6 -77.8-164.7-144.2 5.5 -4.5 10.3 5 1007 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.322 84.3 105.1-122.7 6.0 4.5 -7.9 11.6 6 1008 A G S > S- 0 0 39 4,-0.1 4,-1.9 1,-0.1 3,-0.4 -0.117 84.6 -89.6 -82.6 179.9 7.5 -10.1 10.6 7 1009 A K T 4 S+ 0 0 125 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.839 124.5 33.7 -53.2 -42.5 10.5 -11.7 12.4 8 1010 A H T 4 S+ 0 0 128 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.580 133.6 24.5-102.3 -2.3 12.7 -8.7 11.9 9 1011 A N T 4 S+ 0 0 45 -3,-0.4 -5,-2.9 -6,-0.1 -2,-0.2 0.259 94.8 110.7-140.9 12.8 10.2 -5.8 12.1 10 1012 A G S >X S- 0 0 2 -4,-1.9 3,-2.7 -5,-0.2 4,-0.6 0.049 87.2 -61.0 -85.5-170.1 7.2 -7.1 14.1 11 1013 A P G >4 S+ 0 0 24 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.718 127.4 59.3 -47.8 -32.6 5.9 -6.3 17.6 12 1014 A E G 34 S+ 0 0 142 1,-0.2 -5,-0.1 2,-0.1 3,-0.0 0.608 110.2 44.9 -80.5 -1.9 9.0 -7.3 19.5 13 1015 A H G X4 S+ 0 0 56 -3,-2.7 3,-1.6 1,-0.1 4,-0.5 0.560 87.0 88.8-105.0 -12.4 11.1 -4.8 17.6 14 1016 A W G XX S+ 0 0 6 -3,-0.7 4,-2.6 -4,-0.6 3,-0.5 0.797 73.5 71.4 -62.6 -28.6 8.7 -1.8 17.7 15 1017 A H G 34 S+ 0 0 64 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.726 87.5 65.0 -61.2 -21.7 10.1 -0.4 21.0 16 1018 A K G <4 S+ 0 0 130 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.952 117.5 23.8 -68.0 -47.9 13.3 0.7 19.3 17 1019 A D T <4 S+ 0 0 127 -3,-0.5 -2,-0.2 -4,-0.5 -1,-0.2 0.734 138.0 34.9 -82.8 -24.4 11.6 3.3 17.1 18 1020 A F >< + 0 0 52 -4,-2.6 3,-2.7 -5,-0.2 -1,-0.2 -0.758 66.1 179.3-131.1 77.3 8.7 3.7 19.4 19 1021 A P G > S+ 0 0 97 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.736 74.8 77.6 -61.2 -15.3 9.9 3.3 23.0 20 1022 A I G > S+ 0 0 65 1,-0.3 3,-2.7 2,-0.2 5,-0.2 0.660 70.6 87.8 -63.9 -12.2 6.3 3.9 24.3 21 1023 A A G < S+ 0 0 7 -3,-2.7 -1,-0.3 1,-0.3 -6,-0.1 0.719 91.4 44.9 -54.8 -26.5 5.8 0.3 23.2 22 1024 A K G < S+ 0 0 133 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 0.032 96.3 129.4-101.8 23.6 7.1 -0.5 26.8 23 1025 A G S < S- 0 0 13 -3,-2.7 3,-0.5 1,-0.1 -3,-0.1 0.114 72.7-101.3 -75.5-175.6 4.8 2.2 28.3 24 1026 A E S S+ 0 0 132 1,-0.2 227,-0.1 169,-0.0 -1,-0.1 0.534 112.5 35.8 -89.7 -9.6 2.4 2.0 31.2 25 1027 A R S S+ 0 0 48 -5,-0.2 -1,-0.2 2,-0.0 2,-0.2 -0.282 78.6 154.4-143.6 59.1 -0.9 1.8 29.2 26 1028 A Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.516 33.5 -97.7 -86.7 154.7 -0.2 -0.2 26.1 27 1029 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.872 77.7 37.7-126.3 157.7 -2.8 -2.2 24.1 28 1030 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.595 64.8 178.0 -79.1-179.3 -4.1 -4.8 23.6 29 1031 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.935 35.9-100.3-133.0 162.6 -4.5 -6.7 26.8 30 1032 A D E -a 106 0A 32 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.707 34.6-137.8 -78.0 134.0 -5.9 -10.0 28.0 31 1033 A I E -a 107 0A 0 75,-2.9 77,-2.6 -2,-0.4 2,-0.9 -0.859 11.3-159.2 -97.5 105.0 -9.3 -9.4 29.5 32 1034 A D > - 0 0 70 -2,-0.8 4,-1.6 75,-0.2 3,-0.4 -0.765 6.3-161.4 -84.3 106.7 -9.5 -11.6 32.6 33 1035 A T T 4 S+ 0 0 40 -2,-0.9 -1,-0.2 1,-0.2 222,-0.0 0.787 84.7 53.7 -70.8 -22.3 -13.3 -11.7 33.0 34 1036 A H T 4 S+ 0 0 170 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.848 111.2 45.9 -78.7 -29.4 -13.3 -12.8 36.6 35 1037 A T T 4 S+ 0 0 106 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.657 89.9 97.4 -82.8 -24.7 -11.0 -9.8 37.6 36 1038 A A S < S- 0 0 16 -4,-1.6 2,-0.4 216,-0.1 218,-0.2 -0.430 70.8-139.9 -64.0 137.9 -13.0 -7.2 35.7 37 1039 A K E -c 254 0B 142 216,-1.7 218,-2.5 -2,-0.1 2,-0.2 -0.898 10.8-117.6-106.8 137.3 -15.4 -5.4 38.0 38 1040 A Y E -c 255 0B 101 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.483 26.2-154.7 -63.0 133.3 -19.0 -4.3 37.1 39 1041 A D > - 0 0 41 216,-2.5 3,-1.7 -2,-0.2 -1,-0.1 -0.912 12.2-171.4-116.9 101.9 -19.3 -0.6 37.3 40 1042 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.650 82.7 66.0 -68.9 -11.1 -22.8 0.5 38.0 41 1043 A S T 3 + 0 0 91 2,-0.1 2,-0.4 -3,-0.1 215,-0.1 0.508 69.8 109.5 -93.7 2.6 -21.8 4.1 37.4 42 1044 A L < - 0 0 33 -3,-1.7 3,-0.1 213,-0.2 38,-0.0 -0.556 68.7-136.6 -62.6 127.6 -21.1 3.6 33.7 43 1045 A K E -D 80 0B 79 37,-1.0 37,-0.8 -2,-0.4 39,-0.1 -0.476 41.5 -73.2 -77.9 162.6 -23.9 5.5 31.9 44 1046 A P E - 0 0 114 0, 0.0 36,-0.8 0, 0.0 2,-0.3 -0.252 51.8-114.7 -62.1 143.4 -25.4 3.5 28.9 45 1047 A L E -D 79 0B 19 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.649 27.5-155.5 -77.0 139.9 -23.2 3.4 25.8 46 1048 A S E -D 78 0B 31 32,-3.0 32,-2.2 -2,-0.3 2,-0.6 -0.968 13.8-178.7-122.6 117.2 -24.6 5.2 22.8 47 1049 A V E +D 77 0B 30 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.965 6.6 179.8-115.7 107.5 -23.5 4.3 19.2 48 1050 A S E +D 76 0B 50 28,-2.8 28,-1.6 -2,-0.6 27,-0.3 -0.830 19.7 147.4-118.7 89.0 -25.2 6.6 16.7 49 1051 A Y > + 0 0 4 -2,-0.7 3,-1.9 26,-0.2 130,-0.2 0.316 32.1 112.1-107.2 10.3 -24.1 5.6 13.2 50 1052 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.2 128,-0.1 24,-0.0 0.777 86.7 37.1 -59.3 -28.2 -27.2 6.5 11.2 51 1053 A Q T 3 S+ 0 0 110 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.242 81.6 143.3-106.3 13.8 -25.6 9.4 9.3 52 1054 A A < - 0 0 19 -3,-1.9 2,-0.5 1,-0.1 18,-0.1 -0.249 33.7-160.6 -53.4 136.5 -22.1 7.9 8.9 53 1055 A T - 0 0 52 16,-0.3 16,-2.9 122,-0.1 2,-0.1 -0.914 2.5-155.7-126.4 99.8 -20.7 8.8 5.6 54 1056 A S E -E 68 0B 1 -2,-0.5 121,-0.4 122,-0.3 14,-0.3 -0.429 10.2-174.6 -77.3 147.5 -17.8 6.7 4.3 55 1057 A L E - 0 0 88 12,-3.8 118,-2.3 1,-0.5 2,-0.3 0.773 56.1 -27.2 -96.0 -52.8 -15.4 8.1 1.8 56 1058 A R E -EF 67 172B 83 11,-0.6 11,-3.0 116,-0.3 -1,-0.5 -0.952 46.4-120.2-165.5 153.0 -13.1 5.4 0.7 57 1059 A I E -EF 66 171B 0 114,-2.2 114,-2.2 -2,-0.3 2,-0.3 -0.992 33.7-169.9-118.1 137.1 -11.4 2.1 1.6 58 1060 A L E -EF 65 170B 33 7,-1.5 7,-2.5 -2,-0.4 2,-0.8 -0.982 25.1-143.4-129.8 128.3 -7.4 2.0 1.6 59 1061 A N E +E 64 0B 0 110,-2.6 109,-4.0 -2,-0.3 110,-0.3 -0.874 21.9 179.6 -91.4 109.8 -4.7 -0.7 1.8 60 1062 A N - 0 0 41 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.283 53.1-101.0 -96.1 8.5 -2.1 1.0 3.9 61 1063 A G S S+ 0 0 14 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.417 117.0 52.6 87.9 -5.1 0.3 -1.9 3.9 62 1064 A H S S- 0 0 43 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.591 125.0 -26.1-127.9 -29.0 -0.6 -3.2 7.4 63 1065 A A S S- 0 0 3 -5,-0.1 -3,-1.9 165,-0.1 -1,-0.6 -0.842 71.7 -91.2-157.3-170.6 -4.4 -3.4 7.2 64 1066 A F E -E 59 0B 0 29,-0.3 29,-0.5 -2,-0.2 2,-0.5 -0.985 32.5-148.0-116.5 140.5 -7.2 -1.8 5.2 65 1067 A N E -E 58 0B 25 -7,-2.5 -7,-1.5 -2,-0.4 2,-0.7 -0.870 5.1-153.0-103.6 124.8 -9.0 1.3 6.5 66 1068 A V E -EG 57 91B 0 25,-3.4 25,-1.8 -2,-0.5 2,-0.3 -0.882 34.0-151.0 -93.1 111.6 -12.9 2.2 5.8 67 1069 A E E -EG 56 90B 39 -11,-3.0 -12,-3.8 -2,-0.7 -11,-0.6 -0.633 13.4-155.3 -97.5 149.1 -12.8 6.0 6.0 68 1070 A F E -E 54 0B 8 21,-2.6 2,-0.9 -14,-0.3 -14,-0.2 -0.888 25.4-117.8-123.1 151.7 -15.2 8.4 6.9 69 1071 A D + 0 0 55 -16,-2.9 -16,-0.3 -2,-0.4 3,-0.3 -0.734 35.4 175.8 -75.7 110.5 -16.0 12.0 6.3 70 1072 A D + 0 0 41 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.035 46.0 106.7-107.5 26.7 -15.7 13.3 9.8 71 1073 A S S S+ 0 0 78 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.598 78.1 45.5 -81.8 -12.6 -16.2 17.0 9.0 72 1074 A Q S S- 0 0 110 -3,-0.3 2,-1.5 2,-0.1 0, 0.0 -0.840 102.2 -87.5-127.5 162.8 -19.7 17.2 10.4 73 1075 A D S S+ 0 0 124 -2,-0.3 2,-0.3 14,-0.0 3,-0.1 -0.570 81.1 122.4 -74.0 89.0 -21.4 16.0 13.6 74 1076 A K + 0 0 53 -2,-1.5 14,-0.3 1,-0.2 -25,-0.1 -0.962 53.4 24.1-150.0 147.7 -22.2 12.5 12.4 75 1077 A A S S+ 0 0 5 -27,-0.3 13,-2.8 -2,-0.3 2,-0.4 0.984 77.5 175.2 56.7 78.2 -21.4 8.9 13.6 76 1078 A V E -DH 48 87B 16 -28,-1.6 -28,-2.8 11,-0.2 2,-0.4 -0.840 29.9-153.4-126.3 150.5 -20.7 9.4 17.2 77 1079 A L E +DH 47 86B 0 9,-2.8 9,-2.6 -2,-0.4 2,-0.3 -0.968 31.6 147.1-112.2 132.2 -19.9 7.4 20.2 78 1080 A K E +D 46 0B 94 -32,-2.2 -32,-3.0 -2,-0.4 7,-0.1 -0.897 32.1 47.0-153.4 178.9 -20.8 8.7 23.7 79 1081 A G E > S+D 45 0B 20 5,-0.5 3,-2.5 3,-0.4 -34,-0.3 -0.253 74.7 73.9 77.4-166.7 -21.9 7.4 27.1 80 1082 A G E 3 S-D 43 0B 10 -36,-0.8 -37,-1.0 -37,-0.8 -1,-0.2 -0.395 123.2 -18.8 60.8-135.1 -20.3 4.5 28.9 81 1083 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.516 114.7 107.4 -79.5 -4.2 -17.0 5.5 30.2 82 1084 A L < - 0 0 11 -3,-2.5 2,-0.5 -39,-0.1 -3,-0.4 -0.544 59.5-147.6 -88.1 141.6 -16.7 8.5 27.9 83 1085 A D S S- 0 0 141 -2,-0.3 2,-0.0 -5,-0.1 -1,-0.0 -0.892 71.5 -21.3 -99.2 125.2 -17.0 12.1 28.9 84 1086 A G S S- 0 0 51 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.307 102.8 -33.6 71.5-149.5 -18.6 14.1 25.9 85 1087 A T - 0 0 43 -7,-0.1 38,-2.7 -2,-0.0 2,-0.4 -0.869 40.3-163.2-121.8 141.1 -18.7 13.0 22.3 86 1088 A Y E -HI 77 122B 3 -9,-2.6 -9,-2.8 -2,-0.4 2,-0.4 -0.955 15.7-143.4-123.8 136.3 -16.3 11.0 20.0 87 1089 A R E -HI 76 121B 39 34,-2.8 34,-2.1 -2,-0.4 -11,-0.2 -0.832 18.5-116.5-108.0 134.3 -16.6 11.1 16.2 88 1090 A L E + I 0 120B 2 -13,-2.8 32,-0.3 -2,-0.4 -14,-0.1 -0.455 37.3 163.5 -67.0 131.8 -15.9 8.1 13.9 89 1091 A I E - 0 0 37 30,-2.8 -21,-2.6 1,-0.4 2,-0.3 0.676 61.2 -21.1-117.0 -36.0 -13.0 8.6 11.5 90 1092 A Q E -GI 67 119B 35 29,-1.3 29,-2.9 -23,-0.2 -1,-0.4 -0.985 47.5-146.3-164.4 159.3 -12.2 5.1 10.3 91 1093 A F E +GI 66 118B 0 -25,-1.8 -25,-3.4 -2,-0.3 2,-0.3 -0.971 21.7 162.5-128.9 161.1 -12.5 1.4 11.0 92 1094 A H E - I 0 117B 21 25,-1.8 25,-3.1 -2,-0.3 2,-0.3 -0.934 23.4-126.6-157.4 176.8 -10.1 -1.5 10.2 93 1095 A F E - I 0 116B 0 -29,-0.5 2,-0.3 -2,-0.3 -29,-0.3 -0.871 0.7-149.0-127.4 163.0 -9.5 -5.1 11.3 94 1096 A H E + I 0 115B 2 21,-2.0 21,-2.3 -2,-0.3 2,-0.3 -0.976 31.8 167.5-125.0 140.4 -6.8 -7.3 12.6 95 1097 A W E - I 0 114B 0 -2,-0.3 146,-1.2 19,-0.2 145,-0.9 -0.936 24.6-113.9-153.9 170.1 -6.9 -11.0 11.6 96 1098 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.449 23.1-121.9-103.0 175.1 -5.0 -14.2 11.5 97 1099 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.610 106.3 31.5 -81.9 -14.6 -3.5 -16.7 9.0 98 1100 A L S > S- 0 0 110 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.946 89.5-112.3-141.6 153.6 -5.8 -19.3 10.7 99 1101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.768 109.8 70.0 -62.6 -24.8 -9.2 -19.1 12.3 100 1102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.433 106.9 26.8 -75.2 0.5 -7.6 -19.9 15.7 101 1103 A Q < + 0 0 58 -3,-1.6 -5,-0.6 12,-0.1 -3,-0.3 -0.967 65.9 99.5-151.4 166.2 -5.8 -16.5 16.0 102 1104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.015 53.5 107.2 143.7 -29.8 -6.1 -13.0 14.8 103 1105 A S - 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