==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAR-11 3RD5 . COMPND 2 MOLECULE: MYPAA.01249.C; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM PARATUBERCULOSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 0 0.0 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 . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 0 0 1 0 1 1 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A T 0 0 142 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.0 2.0 55.9 21.1 2 3 A G - 0 0 27 1,-0.1 2,-0.1 236,-0.0 236,-0.1 -0.147 360.0 -91.7 -65.5 159.6 4.8 57.5 19.0 3 4 A W + 0 0 32 234,-0.4 234,-0.4 3,-0.0 2,-0.3 -0.446 49.3 175.8 -67.5 141.0 7.4 60.0 20.3 4 5 A T > - 0 0 46 -2,-0.1 3,-2.6 -3,-0.1 4,-0.1 -0.873 49.9 -90.1-137.3 172.8 6.4 63.6 19.9 5 6 A A G > S+ 0 0 16 1,-0.3 3,-1.9 -2,-0.3 -2,-0.0 0.774 118.9 74.0 -58.8 -19.8 8.0 67.0 20.9 6 7 A A G 3 S+ 0 0 79 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.743 92.8 56.7 -60.0 -21.4 6.0 66.7 24.2 7 8 A D G < S+ 0 0 89 -3,-2.6 -1,-0.3 2,-0.0 -2,-0.2 0.346 77.5 131.5 -94.5 4.1 8.6 64.0 25.1 8 9 A L < - 0 0 4 -3,-1.9 3,-0.1 -4,-0.1 207,-0.1 -0.332 52.9-131.8 -60.3 136.6 11.7 66.3 24.6 9 10 A P - 0 0 55 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.282 40.0 -72.2 -75.5 172.1 14.2 66.2 27.5 10 11 A S - 0 0 73 1,-0.1 27,-0.2 27,-0.1 26,-0.1 -0.377 35.0-172.5 -64.2 140.4 15.6 69.4 29.1 11 12 A F > + 0 0 2 25,-3.1 3,-2.3 22,-0.2 28,-0.3 0.053 29.2 156.3-114.5 22.0 18.1 71.4 27.1 12 13 A A T 3 S+ 0 0 54 24,-0.5 26,-0.2 1,-0.3 25,-0.1 -0.213 71.1 4.5 -53.7 130.2 18.9 73.7 30.0 13 14 A Q T 3 S+ 0 0 179 24,-0.9 2,-0.4 1,-0.2 -1,-0.3 0.559 103.8 121.5 74.1 6.8 22.3 75.3 29.6 14 15 A R < - 0 0 69 -3,-2.3 25,-2.9 23,-0.3 2,-0.5 -0.849 54.5-140.9-105.9 144.2 22.8 73.8 26.2 15 16 A T E -a 39 0A 32 -2,-0.4 70,-2.4 23,-0.2 71,-1.9 -0.882 15.6-171.9-108.7 130.0 23.5 75.8 23.0 16 17 A V E -ab 40 86A 0 23,-2.5 25,-2.7 -2,-0.5 2,-0.5 -0.983 9.9-156.0-123.9 121.5 22.0 74.7 19.7 17 18 A V E -ab 41 87A 0 69,-2.6 71,-3.0 -2,-0.5 2,-0.4 -0.877 16.2-175.1 -93.9 130.0 22.9 76.3 16.3 18 19 A I E -ab 42 88A 0 23,-2.8 25,-2.6 -2,-0.5 2,-0.3 -0.988 17.6-144.5-128.9 121.5 20.1 76.0 13.7 19 20 A T E -a 43 0A 0 69,-2.4 2,-0.3 -2,-0.4 71,-0.3 -0.644 29.2-166.4 -80.5 139.7 20.4 77.1 10.1 20 21 A G - 0 0 11 23,-2.5 25,-0.4 -2,-0.3 71,-0.1 -0.921 40.0-161.4-133.8 159.6 17.1 78.4 8.8 21 22 A A - 0 0 51 -2,-0.3 3,-0.1 23,-0.1 23,-0.1 0.048 62.5-102.9-117.2 21.1 15.3 79.4 5.7 22 23 A N S S+ 0 0 40 1,-0.3 2,-0.3 2,-0.0 -2,-0.0 0.868 85.0 126.4 53.4 42.9 12.7 81.5 7.6 23 24 A S S > S- 0 0 73 1,-0.0 4,-2.1 183,-0.0 -1,-0.3 -0.751 76.4 -96.8-123.9 172.4 10.3 78.7 7.2 24 25 A G H > S+ 0 0 29 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.821 112.7 58.9 -60.9 -43.6 8.1 76.7 9.4 25 26 A L H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.941 111.8 40.5 -56.5 -51.8 10.3 73.7 9.9 26 27 A G H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.879 113.4 54.7 -62.6 -42.7 13.2 75.7 11.3 27 28 A A H X S+ 0 0 38 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.912 110.5 44.4 -62.0 -45.1 11.0 77.9 13.4 28 29 A V H X S+ 0 0 10 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.899 111.1 54.0 -67.1 -39.2 9.2 75.0 15.1 29 30 A T H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.953 114.0 42.3 -60.2 -46.7 12.5 73.2 15.7 30 31 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.918 112.8 53.8 -61.5 -47.1 13.9 76.4 17.4 31 32 A R H X S+ 0 0 98 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.899 110.5 45.2 -56.7 -48.4 10.7 77.0 19.3 32 33 A E H X S+ 0 0 24 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.901 114.1 47.6 -70.8 -39.2 10.5 73.6 20.9 33 34 A L H ><>S+ 0 0 0 -4,-1.9 5,-2.3 -5,-0.3 3,-0.6 0.924 112.2 49.8 -66.7 -40.2 14.2 73.5 21.9 34 35 A A H ><5S+ 0 0 3 -4,-2.7 3,-1.8 1,-0.2 26,-0.3 0.882 104.8 58.2 -63.3 -38.3 14.0 77.0 23.4 35 36 A R H 3<5S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.779 104.9 53.1 -60.4 -26.9 10.8 75.9 25.4 36 37 A R T <<5S- 0 0 88 -4,-0.9 -25,-3.1 -3,-0.6 -24,-0.5 0.221 131.3 -92.9 -95.1 13.9 13.0 73.2 26.9 37 38 A G T < 5S+ 0 0 34 -3,-1.8 -24,-0.9 1,-0.3 -23,-0.3 0.464 73.7 148.6 95.0 5.1 15.7 75.7 28.0 38 39 A A < - 0 0 0 -5,-2.3 2,-0.8 -26,-0.2 22,-0.8 -0.387 50.2-129.4 -70.3 147.7 18.1 75.7 25.1 39 40 A T E -ac 15 60A 42 -25,-2.9 -23,-2.5 -28,-0.3 2,-0.4 -0.881 37.2-162.0 -88.3 107.9 20.1 78.7 24.1 40 41 A V E -ac 16 61A 0 20,-2.9 22,-3.0 -2,-0.8 2,-0.6 -0.814 16.9-163.9-101.9 130.5 19.2 78.7 20.3 41 42 A I E -ac 17 62A 7 -25,-2.7 -23,-2.8 -2,-0.4 2,-0.6 -0.971 10.4-160.3-110.7 107.3 21.2 80.6 17.7 42 43 A M E -ac 18 63A 15 20,-3.3 22,-2.7 -2,-0.6 2,-0.6 -0.842 3.9-159.0 -91.2 122.0 19.1 80.8 14.5 43 44 A A E +ac 19 64A 1 -25,-2.6 -23,-2.5 -2,-0.6 2,-0.3 -0.904 26.5 155.6-111.4 109.1 21.4 81.5 11.6 44 45 A V E - c 0 65A 0 20,-2.3 22,-2.0 -2,-0.6 3,-0.2 -0.914 50.3-129.8-138.9 156.9 19.5 83.1 8.6 45 46 A R S S+ 0 0 142 -25,-0.4 2,-1.0 -2,-0.3 -1,-0.1 0.911 103.7 49.9 -72.0 -46.3 19.9 85.2 5.5 46 47 A D > + 0 0 79 1,-0.2 4,-2.1 20,-0.1 -1,-0.2 -0.783 64.5 173.5-102.7 90.9 17.0 87.6 6.4 47 48 A T H > S+ 0 0 53 -2,-1.0 4,-2.8 2,-0.2 5,-0.2 0.767 74.0 61.5 -72.7 -25.5 17.6 88.7 9.9 48 49 A R H > S+ 0 0 74 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.956 110.5 40.5 -64.3 -49.0 14.8 91.2 10.0 49 50 A K H > S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.914 116.0 52.4 -63.6 -44.1 12.2 88.5 9.3 50 51 A G H X S+ 0 0 5 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.923 110.3 46.4 -58.2 -47.6 14.1 86.1 11.7 51 52 A E H X S+ 0 0 89 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.893 106.0 58.5 -66.3 -39.2 14.1 88.6 14.6 52 53 A A H < S+ 0 0 65 -4,-2.1 4,-0.2 -5,-0.2 -1,-0.2 0.884 115.4 37.7 -59.5 -34.3 10.4 89.5 14.2 53 54 A A H >< S+ 0 0 47 -4,-1.5 3,-1.2 -3,-0.2 4,-0.2 0.924 116.3 50.4 -79.3 -44.6 9.6 85.8 14.7 54 55 A A H >< S+ 0 0 6 -4,-3.0 3,-1.7 1,-0.2 7,-0.3 0.815 96.3 68.6 -66.1 -32.9 12.2 85.0 17.4 55 56 A R T 3< S+ 0 0 183 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.687 103.3 44.8 -67.4 -18.1 11.4 87.9 19.7 56 57 A T T < S+ 0 0 109 -3,-1.2 2,-0.4 -4,-0.2 -1,-0.3 0.334 89.0 107.6-103.3 4.6 8.0 86.4 20.6 57 58 A M S < S- 0 0 38 -3,-1.7 4,-0.3 -4,-0.2 2,-0.0 -0.691 75.9-115.7 -81.9 131.1 9.2 82.8 21.1 58 59 A A S S+ 0 0 74 -2,-0.4 2,-0.1 2,-0.1 -2,-0.1 -0.354 83.7 17.7 -58.8 144.7 9.3 81.6 24.7 59 60 A G S S- 0 0 54 -24,-0.1 2,-0.7 1,-0.1 -24,-0.1 -0.457 113.9 -37.5 82.7-163.5 12.9 80.9 25.9 60 61 A Q E +c 39 0A 126 -22,-0.8 -20,-2.9 -26,-0.3 2,-0.5 -0.844 58.5 159.2-109.8 95.2 16.1 82.1 24.2 61 62 A V E -c 40 0A 20 -2,-0.7 2,-0.3 -7,-0.3 -20,-0.2 -0.954 17.9-170.6-116.5 108.6 16.2 82.3 20.4 62 63 A E E -c 41 0A 89 -22,-3.0 -20,-3.3 -2,-0.5 2,-0.5 -0.781 12.4-141.6 -94.2 141.5 18.9 84.6 19.1 63 64 A V E +c 42 0A 22 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.914 23.1 172.8-107.9 130.2 19.1 85.6 15.4 64 65 A R E -c 43 0A 66 -22,-2.7 -20,-2.3 -2,-0.5 2,-0.3 -0.949 35.8 -99.9-130.3 155.3 22.4 86.0 13.6 65 66 A E E +c 44 0A 120 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.563 45.0 159.0 -80.1 131.4 23.2 86.5 9.9 66 67 A L - 0 0 4 -22,-2.0 2,-0.6 -2,-0.3 -46,-0.1 -0.912 21.0-168.5-149.4 126.5 24.3 83.6 7.7 67 68 A D > - 0 0 22 -2,-0.3 3,-1.8 3,-0.3 7,-0.4 -0.916 3.8-168.0-113.6 100.3 24.1 83.4 3.9 68 69 A L T 3 S+ 0 0 16 -2,-0.6 -1,-0.1 1,-0.3 51,-0.1 0.648 86.0 65.1 -61.5 -15.7 24.8 79.7 3.0 69 70 A Q T 3 S+ 0 0 39 1,-0.1 33,-1.6 46,-0.1 34,-0.5 0.171 98.5 59.0 -88.9 15.1 25.2 80.9 -0.6 70 71 A D X> - 0 0 30 -3,-1.8 4,-2.0 32,-0.1 3,-0.8 -0.869 66.6-160.4-147.0 102.1 28.3 82.9 0.3 71 72 A L H 3> S+ 0 0 20 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.806 93.5 59.9 -58.4 -28.3 31.2 81.0 1.8 72 73 A S H 3> S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 106.5 47.4 -65.7 -34.7 32.7 84.3 3.2 73 74 A S H <> S+ 0 0 4 -3,-0.8 4,-2.6 -6,-0.3 5,-0.2 0.890 108.5 54.3 -69.5 -42.1 29.5 84.7 5.1 74 75 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 -7,-0.4 -2,-0.2 0.922 110.9 47.4 -53.2 -48.0 29.6 81.1 6.4 75 76 A R H X S+ 0 0 101 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.910 111.4 48.7 -63.0 -45.1 33.2 81.8 7.7 76 77 A R H X S+ 0 0 146 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.922 113.7 47.8 -63.1 -43.0 32.2 85.1 9.4 77 78 A F H >< S+ 0 0 11 -4,-2.6 3,-0.8 1,-0.2 4,-0.4 0.953 112.5 48.2 -63.5 -49.1 29.2 83.4 11.1 78 79 A A H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.887 105.7 57.2 -60.0 -40.7 31.2 80.4 12.2 79 80 A D H 3< S+ 0 0 117 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.770 102.8 57.4 -64.4 -24.5 34.0 82.6 13.6 80 81 A G T << S+ 0 0 50 -4,-1.0 2,-0.8 -3,-0.8 -1,-0.3 0.494 85.6 89.3 -80.8 -7.7 31.4 84.3 15.8 81 82 A V < - 0 0 2 -3,-1.7 3,-0.1 -4,-0.4 -1,-0.0 -0.841 54.8-172.7 -93.8 109.5 30.3 81.0 17.5 82 83 A S - 0 0 114 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.782 66.8 -29.7 -73.1 -24.7 32.4 80.5 20.6 83 84 A G - 0 0 27 45,-0.0 2,-0.3 44,-0.0 -1,-0.3 -0.912 57.5-170.5 178.9 154.3 31.0 77.0 21.2 84 85 A A E - d 0 127A 3 42,-2.1 44,-1.6 -2,-0.3 45,-0.2 -0.984 21.0-148.3-152.2 158.2 27.9 74.9 20.8 85 86 A D E S+ 0 0 32 -70,-2.4 44,-1.9 1,-0.3 45,-1.6 0.857 86.6 22.1 -90.4 -43.7 26.5 71.6 21.8 86 87 A V E -bd 16 130A 0 -71,-1.9 -69,-2.6 43,-0.2 2,-0.5 -0.984 60.9-160.1-129.0 135.5 24.3 70.7 18.8 87 88 A L E -bd 17 131A 0 43,-2.3 45,-2.8 -2,-0.4 2,-0.6 -0.980 8.3-164.1-113.2 125.5 24.5 71.9 15.2 88 89 A I E -bd 18 132A 0 -71,-3.0 -69,-2.4 -2,-0.5 2,-1.4 -0.951 7.8-159.9-113.4 109.1 21.3 71.5 13.1 89 90 A N E + d 0 133A 1 43,-2.8 45,-2.5 -2,-0.6 -71,-0.1 -0.694 41.9 138.7 -88.1 81.2 21.9 71.8 9.4 90 91 A N + 0 0 13 -2,-1.4 -1,-0.2 -71,-0.3 -70,-0.1 0.729 25.3 105.2-100.6 -31.8 18.2 72.5 8.6 91 92 A A + 0 0 4 -3,-0.3 2,-0.3 -48,-0.1 -71,-0.1 -0.262 44.4 157.1 -60.4 141.8 18.1 75.3 6.0 92 93 A G - 0 0 29 2,-0.0 2,-0.3 21,-0.0 16,-0.1 -0.996 35.0-146.5-158.8 156.1 17.2 74.3 2.5 93 94 A I - 0 0 44 -2,-0.3 2,-0.4 15,-0.2 19,-0.1 -0.929 25.3-151.3-117.3 156.4 15.8 75.4 -0.8 94 95 A M - 0 0 62 -2,-0.3 65,-0.1 1,-0.1 105,-0.1 -0.954 54.8 -22.8-143.8 117.7 13.8 73.0 -3.0 95 96 A A S S+ 0 0 27 63,-0.5 64,-0.2 -2,-0.4 -1,-0.1 0.878 81.7 155.2 55.8 46.7 13.1 72.5 -6.7 96 97 A V - 0 0 42 62,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.472 48.0 -82.2 -93.2 164.1 14.0 76.1 -7.7 97 98 A P - 0 0 106 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.191 62.6 -74.3 -60.5 162.5 15.2 77.3 -11.2 98 99 A Y + 0 0 97 8,-0.1 2,-0.3 9,-0.1 8,-0.1 -0.434 69.6 148.1 -60.8 129.9 18.8 77.0 -12.2 99 100 A A - 0 0 45 -2,-0.2 8,-2.4 -3,-0.1 2,-0.4 -0.968 36.6-128.6-161.3 155.3 20.9 79.6 -10.5 100 101 A L B -H 106 0B 88 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.864 17.4-130.7-112.8 147.1 24.5 80.1 -9.2 101 102 A T > - 0 0 12 4,-2.4 3,-1.9 -2,-0.4 -31,-0.1 -0.284 41.2 -90.4 -79.4 175.6 25.7 81.2 -5.8 102 103 A V T 3 S+ 0 0 101 -33,-1.6 -32,-0.1 1,-0.3 -1,-0.1 0.826 131.1 49.9 -51.5 -38.5 28.4 83.8 -5.1 103 104 A D T 3 S- 0 0 64 -34,-0.5 -1,-0.3 2,-0.1 -33,-0.1 0.381 123.6-103.6 -88.5 3.6 30.9 81.0 -5.3 104 105 A G S < S+ 0 0 36 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.613 73.4 140.2 84.8 16.4 29.6 79.6 -8.6 105 106 A F - 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