==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUN-10 3NEA . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR R.LAM,T.E.MCGRATH,V.ROMANOV,S.A.GOTHE,S.R.PEDDI,E.RAZUMOVA, . 187 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 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 . 12 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.7 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 2 0 0 0 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 130 0, 0.0 2,-0.3 0, 0.0 87,-0.0 0.000 360.0 360.0 360.0 129.2 23.8 -1.4 -24.7 2 3 A K - 0 0 70 175,-0.1 2,-0.3 176,-0.0 175,-0.2 -0.953 360.0 -97.6-130.5 157.6 25.0 -2.9 -21.4 3 4 A I + 0 0 0 173,-2.2 86,-0.2 -2,-0.3 55,-0.1 -0.520 40.2 162.4 -77.8 129.5 23.4 -4.9 -18.6 4 5 A K + 0 0 78 84,-2.9 56,-2.1 -2,-0.3 2,-0.4 0.519 64.9 42.6-116.6 -17.1 22.3 -2.9 -15.6 5 6 A M E -ab 60 89A 0 83,-1.7 85,-2.9 54,-0.2 2,-0.5 -0.999 58.8-162.2-140.6 132.7 20.0 -5.3 -13.9 6 7 A I E -ab 61 90A 0 54,-3.0 56,-2.8 -2,-0.4 2,-0.5 -0.967 9.7-160.3-119.4 116.1 20.1 -9.1 -13.3 7 8 A I E -ab 62 91A 0 83,-3.2 85,-2.9 -2,-0.5 2,-0.6 -0.800 1.5-160.2 -92.5 129.6 16.9 -11.0 -12.5 8 9 A G E - b 0 92A 0 54,-3.0 17,-0.2 -2,-0.5 85,-0.1 -0.915 18.4-142.5-113.0 106.6 17.2 -14.3 -10.8 9 10 A L + 0 0 0 83,-2.1 16,-1.7 -2,-0.6 15,-0.6 -0.331 42.2 107.4 -76.1 145.9 13.9 -16.3 -11.3 10 11 A G - 0 0 0 14,-0.2 2,-0.5 54,-0.1 57,-0.3 -0.959 62.4 -83.0 171.1 173.1 12.4 -18.5 -8.6 11 12 A N - 0 0 17 -2,-0.3 8,-0.1 5,-0.2 5,-0.1 -0.913 41.4-124.5-101.2 133.6 9.7 -19.1 -6.0 12 13 A I + 0 0 57 -2,-0.5 56,-0.1 52,-0.1 3,-0.1 -0.382 67.5 71.5 -67.1 150.5 10.1 -17.5 -2.6 13 14 A G S >> S- 0 0 30 1,-0.1 3,-1.6 2,-0.1 4,-1.5 0.033 84.4 -98.0 111.5 143.0 9.9 -19.9 0.5 14 15 A K T 34 S+ 0 0 69 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.824 119.2 61.0 -59.8 -35.3 12.1 -22.6 2.0 15 16 A E T 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.626 114.0 35.1 -67.9 -13.6 10.2 -25.4 0.3 16 17 A Y T X4 S+ 0 0 80 -3,-1.6 3,-2.0 -5,-0.1 6,-0.2 0.651 91.6 88.4-111.2 -19.3 11.2 -24.0 -3.1 17 18 A Q T 3< S+ 0 0 102 -4,-1.5 -2,-0.1 1,-0.3 -3,-0.1 0.736 93.5 43.7 -59.5 -27.2 14.7 -22.6 -2.6 18 19 A D T 3 S+ 0 0 82 -4,-0.5 -1,-0.3 134,-0.0 -2,-0.1 0.458 92.8 110.3 -94.0 -4.4 16.4 -26.0 -3.4 19 20 A T S X S- 0 0 3 -3,-2.0 3,-1.3 133,-0.2 133,-0.3 -0.228 78.1-116.3 -75.6 160.6 14.2 -26.7 -6.5 20 21 A R G > S+ 0 0 20 131,-2.3 3,-1.4 128,-0.4 130,-0.2 0.797 112.5 65.4 -63.4 -31.6 15.3 -26.7 -10.2 21 22 A H G 3 S+ 0 0 26 128,-2.3 73,-0.3 1,-0.2 3,-0.3 0.620 98.2 57.9 -66.5 -14.0 12.9 -23.8 -11.0 22 23 A N G X> + 0 0 2 -3,-1.3 4,-1.9 127,-0.2 3,-0.7 0.319 66.0 108.7-101.1 6.1 15.0 -21.6 -8.7 23 24 A V H <> S+ 0 0 0 -3,-1.4 4,-1.9 1,-0.3 -1,-0.2 0.749 76.5 58.9 -59.0 -27.1 18.5 -21.9 -10.3 24 25 A G H 3> S+ 0 0 0 -15,-0.6 4,-1.8 -3,-0.3 -1,-0.3 0.921 105.6 49.0 -64.3 -45.9 18.2 -18.3 -11.5 25 26 A E H <> S+ 0 0 41 -16,-1.7 4,-2.3 -3,-0.7 -2,-0.2 0.914 108.3 54.4 -56.7 -46.6 17.9 -17.2 -7.9 26 27 A W H X S+ 0 0 26 -4,-1.9 4,-2.3 -17,-0.2 -1,-0.2 0.881 103.8 56.2 -55.7 -42.0 20.9 -19.3 -7.0 27 28 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.953 112.5 39.4 -55.8 -53.7 23.0 -17.5 -9.7 28 29 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.822 112.4 58.1 -67.5 -29.8 22.3 -14.0 -8.2 29 30 A A H X S+ 0 0 31 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.882 106.2 49.4 -65.7 -39.1 22.7 -15.4 -4.7 30 31 A K H X S+ 0 0 66 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.893 110.2 50.0 -68.2 -40.6 26.2 -16.6 -5.6 31 32 A I H X S+ 0 0 3 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.936 113.0 46.8 -59.5 -49.9 27.1 -13.1 -7.0 32 33 A A H ><>S+ 0 0 3 -4,-2.4 5,-2.5 2,-0.2 3,-0.8 0.944 114.7 46.7 -54.6 -52.4 25.8 -11.4 -3.9 33 34 A Q H ><5S+ 0 0 132 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.909 107.6 55.4 -61.4 -44.6 27.7 -13.9 -1.6 34 35 A D H 3<5S+ 0 0 74 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.748 113.6 44.5 -54.4 -25.9 31.0 -13.6 -3.6 35 36 A N T <<5S- 0 0 58 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.253 111.6-117.5-105.2 7.4 30.8 -9.8 -3.0 36 37 A N T < 5 + 0 0 152 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.849 69.3 140.9 53.3 39.6 29.8 -9.9 0.7 37 38 A Q < - 0 0 95 -5,-2.5 2,-0.2 -6,-0.1 -1,-0.2 -0.928 40.3-149.3-116.3 136.5 26.5 -8.2 -0.2 38 39 A S - 0 0 104 -2,-0.4 13,-0.3 -3,-0.1 2,-0.2 -0.627 17.2-118.2 -96.9 157.4 23.1 -8.9 1.3 39 40 A F - 0 0 58 -2,-0.2 2,-0.4 11,-0.1 11,-0.2 -0.650 23.3-144.8 -86.4 151.9 19.6 -8.6 -0.3 40 41 A S E -C 49 0A 75 9,-2.8 9,-2.5 -2,-0.2 2,-0.4 -0.957 19.8-114.0-115.3 142.8 17.0 -6.1 1.0 41 42 A S E +C 48 0A 88 -2,-0.4 7,-0.2 7,-0.2 5,-0.0 -0.596 32.3 178.6 -74.0 125.4 13.3 -6.8 1.1 42 43 A N E > > +C 47 0A 50 5,-3.0 3,-1.9 -2,-0.4 5,-1.6 -0.610 7.5 169.3-126.4 72.1 11.5 -4.3 -1.2 43 44 A P G > 5S+ 0 0 90 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.786 77.1 60.4 -58.6 -30.3 7.7 -5.3 -1.0 44 45 A K G 3 5S+ 0 0 185 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.724 112.4 39.4 -69.2 -20.9 6.7 -2.1 -2.9 45 46 A L G < 5S- 0 0 21 -3,-1.9 33,-0.3 2,-0.2 -1,-0.3 0.265 113.9-121.9-105.7 4.3 8.8 -3.3 -5.8 46 47 A N T < 5S+ 0 0 36 -3,-1.0 19,-2.1 -4,-0.3 20,-0.4 0.829 78.0 68.7 60.3 38.3 7.6 -7.0 -5.3 47 48 A C E - D 0 57A 21 3,-3.3 3,-1.7 -2,-0.5 2,-0.4 -0.782 63.4 -73.3-120.6 83.2 31.3 -6.5 -11.1 55 56 A D T 3 S- 0 0 120 -2,-0.5 -1,-0.1 1,-0.3 118,-0.0 -0.519 116.8 -8.6 62.0-116.0 34.8 -5.2 -11.7 56 57 A Y T 3 S+ 0 0 208 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.339 128.8 71.8 -95.6 9.5 34.2 -1.8 -13.4 57 58 A N E < - D 0 54A 20 -3,-1.7 -3,-3.3 2,-0.0 2,-0.3 -0.826 65.8-148.9-114.7 158.0 30.5 -2.2 -13.8 58 59 A N E - D 0 53A 105 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.949 14.7-175.8-120.1 149.4 27.6 -2.2 -11.3 59 60 A V E - D 0 52A 3 -7,-2.1 -7,-2.4 -2,-0.3 2,-0.5 -0.971 26.2-126.2-137.7 157.3 24.3 -4.1 -11.4 60 61 A V E -aD 5 51A 16 -56,-2.1 -54,-3.0 -2,-0.3 2,-0.4 -0.909 25.8-148.0 -95.7 124.7 21.1 -4.4 -9.5 61 62 A L E -aD 6 50A 0 -11,-4.2 -11,-1.9 -2,-0.5 2,-0.4 -0.844 17.0-165.5 -94.7 132.9 20.3 -8.0 -8.5 62 63 A V E -aD 7 49A 0 -56,-2.8 -54,-3.0 -2,-0.4 -13,-0.2 -0.976 19.6-178.1-128.8 120.4 16.6 -8.8 -8.4 63 64 A F E - D 0 48A 13 -15,-2.6 -15,-2.3 -2,-0.4 -54,-0.1 -0.934 27.6-138.7-111.9 107.3 14.7 -11.7 -6.8 64 65 A P E - D 0 47A 0 0, 0.0 3,-0.3 0, 0.0 -17,-0.3 -0.406 9.6-161.5 -62.2 134.3 11.0 -11.4 -7.5 65 66 A T S S+ 0 0 42 -19,-2.1 -18,-0.2 1,-0.2 -19,-0.1 0.096 71.1 92.6-100.9 21.5 8.9 -12.4 -4.4 66 67 A T S S- 0 0 21 -20,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.551 97.6-104.5 -87.7 -12.3 5.8 -12.8 -6.5 67 68 A Y > - 0 0 122 -3,-0.3 3,-1.8 -57,-0.3 -1,-0.2 0.046 47.0 -74.6 77.9 152.5 6.1 -16.5 -7.3 68 69 A M G > S+ 0 0 7 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.853 125.7 57.5 -49.8 -52.1 7.2 -17.5 -10.8 69 70 A N G 3 S+ 0 0 103 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.527 112.5 40.0 -67.0 -8.7 4.1 -16.8 -12.8 70 71 A N G X> S+ 0 0 57 -3,-1.8 3,-1.6 1,-0.1 4,-0.7 0.133 73.8 121.9-123.4 19.5 4.0 -13.1 -11.8 71 72 A S H <> + 0 0 0 -3,-2.0 4,-2.2 1,-0.3 3,-0.2 0.765 66.3 67.8 -46.5 -36.7 7.7 -12.3 -12.0 72 73 A G H 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.812 89.4 63.2 -58.8 -33.9 7.0 -9.6 -14.6 73 74 A L H <> S+ 0 0 50 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.951 110.2 39.6 -54.8 -50.0 5.2 -7.4 -12.0 74 75 A A H X S+ 0 0 0 -4,-0.7 4,-2.7 -3,-0.2 5,-0.2 0.940 116.4 48.5 -63.3 -53.7 8.5 -7.2 -10.0 75 76 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.883 114.0 48.3 -55.5 -43.3 10.8 -6.8 -13.1 76 77 A S H X S+ 0 0 21 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.942 112.8 46.1 -64.5 -50.7 8.5 -4.0 -14.5 77 78 A K H X S+ 0 0 76 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.920 115.4 47.0 -57.7 -46.5 8.3 -2.1 -11.2 78 79 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 -33,-0.3 5,-0.2 0.908 111.8 49.7 -62.5 -47.6 12.1 -2.3 -10.7 79 80 A A H X>S+ 0 0 6 -4,-2.4 5,-2.5 -5,-0.2 4,-0.7 0.869 113.3 47.7 -58.4 -42.0 12.9 -1.3 -14.3 80 81 A N H <5S+ 0 0 119 -4,-2.3 3,-0.2 3,-0.2 -2,-0.2 0.917 113.1 48.1 -63.1 -46.9 10.6 1.7 -13.9 81 82 A F H <5S+ 0 0 134 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.916 120.5 35.1 -61.5 -48.9 12.0 2.7 -10.6 82 83 A Y H <5S- 0 0 64 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.454 109.0-121.0 -86.6 -2.5 15.7 2.5 -11.7 83 84 A K T <5 + 0 0 184 -4,-0.7 2,-0.4 -5,-0.2 -3,-0.2 0.943 54.6 160.4 63.7 52.0 14.9 3.8 -15.2 84 85 A I < - 0 0 24 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.908 33.7-134.7-111.4 130.7 16.3 0.7 -16.9 85 86 A A > - 0 0 47 -2,-0.4 3,-1.6 1,-0.1 -81,-0.2 -0.413 27.1-109.8 -77.7 155.4 15.4 -0.3 -20.5 86 87 A P G > S+ 0 0 40 0, 0.0 3,-1.5 0, 0.0 44,-0.4 0.852 118.2 59.1 -52.7 -35.5 14.5 -3.9 -21.5 87 88 A A G 3 S+ 0 0 33 1,-0.3 43,-0.1 42,-0.2 42,-0.1 0.691 100.4 57.9 -66.5 -20.0 17.8 -4.3 -23.4 88 89 A E G < S+ 0 0 35 -3,-1.6 -84,-2.9 -85,-0.1 -83,-1.7 0.233 90.4 95.2 -94.9 11.4 19.7 -3.6 -20.2 89 90 A I E < -b 5 0A 0 -3,-1.5 41,-2.4 -86,-0.2 2,-0.5 -0.908 55.2-162.6-109.7 129.3 18.1 -6.5 -18.3 90 91 A L E -be 6 130A 0 -85,-2.9 -83,-3.2 -2,-0.5 2,-0.5 -0.960 8.0-161.1-103.5 126.9 19.5 -10.0 -17.9 91 92 A V E -be 7 131A 0 39,-3.1 41,-2.5 -2,-0.5 2,-0.5 -0.947 2.7-160.4-111.1 119.3 17.1 -12.7 -16.9 92 93 A V E +be 8 132A 0 -85,-2.9 -83,-2.1 -2,-0.5 2,-0.3 -0.867 25.1 154.9-104.1 128.4 18.6 -15.9 -15.5 93 94 A H E - e 0 133A 2 39,-2.1 41,-2.9 -2,-0.5 2,-0.2 -0.974 46.4 -85.9-151.0 158.1 16.4 -19.0 -15.5 94 95 A D E - e 0 134A 5 -73,-0.3 2,-0.5 -2,-0.3 41,-0.2 -0.464 39.3-156.3 -62.6 140.2 16.2 -22.8 -15.5 95 96 A E E > - e 0 135A 23 39,-2.5 41,-2.2 -2,-0.2 42,-0.9 -0.973 16.5-171.8-128.7 114.9 16.4 -24.3 -19.0 96 97 A L T 3 S+ 0 0 39 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.771 81.2 69.5 -68.5 -29.8 15.0 -27.8 -19.8 97 98 A D T 3 S+ 0 0 125 40,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.594 100.7 46.9 -74.4 -14.8 16.5 -27.9 -23.3 98 99 A I S < S- 0 0 12 -3,-0.6 39,-2.5 39,-0.1 38,-0.9 -0.908 89.1-105.9-124.7 160.0 20.1 -28.2 -22.0 99 100 A D > - 0 0 102 -2,-0.3 3,-2.2 36,-0.2 36,-0.3 -0.310 42.3 -82.1 -84.1 160.7 21.6 -30.5 -19.3 100 101 A S T 3 S+ 0 0 17 1,-0.3 36,-0.2 36,-0.2 -1,-0.2 -0.396 120.8 37.3 -55.6 134.6 22.8 -29.7 -15.8 101 102 A G T 3 S+ 0 0 24 34,-0.5 2,-0.3 1,-0.4 -1,-0.3 0.046 99.1 103.3 102.4 -23.5 26.3 -28.3 -16.1 102 103 A E < - 0 0 73 -3,-2.2 33,-2.4 65,-0.0 -1,-0.4 -0.679 45.4-179.0 -96.7 150.9 25.4 -26.5 -19.3 103 104 A I E -F 134 0A 7 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.974 3.1-176.9-150.2 124.9 24.8 -22.7 -19.6 104 105 A R E -F 133 0A 67 29,-2.5 29,-3.0 -2,-0.3 2,-0.4 -0.892 18.8-135.3-124.0 159.6 23.8 -20.7 -22.7 105 106 A L E +F 132 0A 34 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.895 24.8 174.2-111.8 138.9 23.2 -17.1 -23.6 106 107 A K E -F 131 0A 92 25,-2.3 25,-2.2 -2,-0.4 2,-0.5 -0.905 22.9-147.0-148.4 123.5 20.2 -15.9 -25.7 107 108 A K E -F 130 0A 91 -2,-0.3 23,-0.2 23,-0.2 21,-0.1 -0.770 67.1 -34.9 -83.3 122.5 18.9 -12.4 -26.7 108 109 A G S S+ 0 0 3 21,-2.5 20,-0.1 -2,-0.5 23,-0.1 -0.076 71.8 134.1 68.1-160.5 15.1 -12.3 -27.0 109 110 A G - 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