==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-FEB-06 2FX4 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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+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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 2 2 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 16 A I 0 0 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 131.3 53.0 -3.7 25.2 2 17 A V B +A 171 0A 11 169,-2.7 169,-1.9 1,-0.2 123,-0.1 -0.888 360.0 11.9-108.7 138.6 53.0 -7.3 24.2 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.669 102.5 122.2 69.4 21.4 55.1 -8.4 21.1 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.211 54.7-120.6-101.3-169.2 56.9 -5.0 21.0 5 20 A Y E -B 137 0B 93 132,-2.4 132,-2.9 -3,-0.1 2,-0.5 -0.849 34.8 -86.0-130.6 167.2 60.5 -3.8 21.1 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.615 35.5-150.0 -75.0 121.4 62.7 -1.6 23.3 7 22 A a - 0 0 19 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.895 35.4-114.5 -60.2 -43.7 62.2 1.9 22.0 8 23 A G > - 0 0 27 127,-0.5 3,-1.6 -3,-0.1 4,-0.3 0.039 47.7 -58.0 113.1 139.7 65.7 3.2 23.0 9 24 A A T 3 S- 0 0 56 1,-0.2 44,-0.1 2,-0.1 43,-0.0 -0.240 117.2 -8.6 -56.8 132.3 66.1 5.9 25.6 10 25 A N T 3 S+ 0 0 39 42,-0.3 -1,-0.2 2,-0.1 43,-0.1 0.631 90.5 123.8 55.1 27.6 64.4 9.2 24.8 11 26 A T S < S+ 0 0 82 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.568 76.4 49.4 -87.4 -6.9 63.3 8.3 21.3 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.6 87,-0.1 -1,-0.3 -0.715 73.5 173.5-127.4 75.0 59.6 9.0 22.2 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.597 71.2 56.1 -68.8 -12.8 60.2 12.4 23.8 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.2 0.493 80.6 110.0 -96.9 -5.4 56.4 13.2 24.3 15 30 A Q E < -J 28 0C 7 -3,-1.6 36,-0.4 13,-0.2 37,-0.4 -0.488 47.0-174.4 -72.1 136.0 55.7 10.0 26.4 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.2 2,-0.4 -0.902 19.3-139.1-129.3 160.1 55.0 10.6 30.0 17 32 A S E -JK 26 49C 0 32,-2.0 32,-2.8 -2,-0.3 2,-0.6 -0.965 14.6-142.4-116.4 134.1 54.4 8.2 33.0 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.4 -2,-0.4 7,-1.0 -0.891 28.1-168.0-101.0 125.8 51.6 9.2 35.5 19 34 A N E +JK 23 47C 17 28,-2.8 28,-2.2 -2,-0.6 4,-0.2 -0.966 34.6 167.5-124.8 135.2 52.9 8.2 38.9 20 37 A S S S- 0 0 36 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.368 96.8 -48.8-132.8 45.3 51.2 7.9 42.4 21 38 A G S S+ 0 0 72 1,-0.2 2,-0.3 26,-0.1 -2,-0.1 0.439 139.8 32.4 98.9 -0.4 54.1 6.0 44.1 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.917 102.0 -84.7-172.6 162.5 54.2 3.6 41.1 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.703 50.0 159.5 -80.8 126.6 53.5 3.9 37.3 24 41 A F E + 0 0 30 -6,-2.4 2,-0.3 -2,-0.4 151,-0.2 0.598 59.6 2.1-124.3 -18.9 49.8 3.5 36.7 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.976 61.1-125.9-161.5 163.3 49.1 5.1 33.2 26 43 A G E +J 17 0C 2 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.410 25.7 177.7-104.1-178.6 50.9 6.8 30.3 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.953 24.3-114.3-171.1 175.0 50.1 10.1 28.7 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.3 -2,-0.3 2,-0.5 -0.992 19.0-131.1-130.1 134.2 51.4 12.5 26.0 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.3 -2,-0.4 6,-0.2 -0.723 27.5 172.4 -82.9 123.9 52.8 16.0 26.3 30 47 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.517 68.4 -5.7-111.4 -8.8 51.1 18.4 23.9 31 48 A N E > S- L 0 34C 48 3,-1.1 3,-0.8 70,-0.1 -1,-0.3 -0.931 90.9 -80.2-166.8 172.6 52.6 21.7 25.1 32 49 A S T 3 S+ 0 0 48 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.677 126.8 29.3 -62.4 -16.5 54.9 22.7 28.0 33 50 A Q T 3 S+ 0 0 61 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.379 111.1 69.1-123.0 4.9 52.1 22.8 30.6 34 51 A W E < -LM 31 89C 10 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.1 -0.980 47.1-174.6-134.9 142.7 49.6 20.2 29.4 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.6 -2,-0.4 2,-0.4 -0.929 15.4-145.2-124.7 148.1 49.3 16.4 29.0 36 53 A V E +LM 28 87C 1 -8,-2.3 -8,-2.2 -2,-0.3 2,-0.2 -0.940 32.8 147.6-115.8 136.8 46.5 14.3 27.4 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.3 -2,-0.4 2,-0.4 -0.733 50.3 -67.3-146.7-165.9 45.7 10.9 28.9 38 55 A A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.3 -0.761 32.1-132.2 -97.6 140.2 42.6 8.7 29.3 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.830 105.9 64.6 -60.5 -31.2 39.7 9.7 31.6 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.541 92.3 64.2 -72.8 -0.5 39.7 6.3 33.1 41 58 A b G < S+ 0 0 6 -3,-2.0 -1,-0.3 -15,-0.0 -2,-0.2 0.388 77.3 130.6 -96.3 -2.2 43.2 7.0 34.5 42 59 A Y < + 0 0 128 -3,-1.8 2,-0.3 -4,-0.2 -3,-0.0 -0.256 18.0 131.3 -59.4 140.1 41.9 9.7 36.7 43 60 A K - 0 0 59 0, 0.0 3,-0.2 0, 0.0 2,-0.2 -0.918 53.4-101.8-171.8 165.2 42.9 9.9 40.4 44 61 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.584 94.7 48.5 -97.9 166.9 44.2 12.6 42.7 45 62 A G S S+ 0 0 69 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.939 72.3 167.9 74.5 47.7 47.8 12.9 43.7 46 63 A I - 0 0 10 -3,-0.2 21,-2.0 21,-0.1 2,-0.5 -0.803 21.0-167.3 -99.1 135.6 49.3 12.5 40.2 47 64 A Q E -KN 19 66C 54 -28,-2.2 -28,-2.8 -2,-0.4 2,-0.5 -0.983 17.0-142.4-117.1 129.1 53.0 13.3 39.6 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.7 -2,-0.5 2,-0.6 -0.820 11.3-157.3 -95.2 129.6 53.8 13.5 35.9 49 65AA R E -KN 17 64C 50 -32,-2.8 -32,-2.0 -2,-0.5 3,-0.3 -0.947 12.8-175.6-115.1 114.1 57.2 12.1 35.0 50 66 A L E + N 0 63C 2 13,-2.8 13,-1.7 -2,-0.6 -34,-0.1 -0.622 60.3 29.8-103.2 161.8 58.8 13.3 31.7 51 69 A G S S+ 0 0 8 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.706 84.2 152.5 59.8 28.9 62.1 12.3 30.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.511 23.8 151.7 -90.2 154.8 61.9 8.7 31.3 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.2 -1,-0.2 0.229 82.1 33.2-139.2 -80.4 63.2 5.5 29.9 54 72 A N S > S- 0 0 23 80,-0.2 3,-0.8 1,-0.1 -1,-0.4 -0.744 73.0-163.1 -82.1 115.2 63.9 3.2 33.0 55 73 A I T 3 S+ 0 0 28 78,-2.4 -1,-0.1 -2,-0.7 79,-0.1 0.535 84.6 54.2 -78.5 -4.7 61.1 4.2 35.4 56 74 A N T 3 S+ 0 0 118 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.438 106.1 54.2-105.2 -3.8 62.8 2.6 38.4 57 75 A V S < S- 0 0 74 -3,-0.8 2,-0.8 76,-0.2 -4,-0.2 -0.996 77.0-131.0-130.5 137.1 66.2 4.4 38.1 58 76 A V + 0 0 113 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.794 37.4 165.0 -86.0 115.4 66.9 8.2 37.9 59 77 A E - 0 0 106 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.501 54.6 -89.9-108.6 -12.3 69.3 8.2 34.7 60 78 A G S S+ 0 0 35 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.150 103.7 67.1 111.0 154.7 69.2 11.9 34.0 61 79 A N + 0 0 71 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.219 69.6 132.1 86.0 -8.4 66.7 13.9 31.8 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.439 36.1-171.5 -74.7 147.1 63.8 13.2 34.1 63 81 A Q E -N 50 0C 39 -13,-1.7 -13,-2.8 -2,-0.1 2,-0.6 -0.986 6.5-161.8-136.1 124.2 61.5 16.1 35.1 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.966 17.8 172.0-112.6 117.9 59.0 15.2 37.9 65 83 A I E -N 48 0C 20 -17,-2.7 -17,-3.2 -2,-0.6 2,-0.1 -0.987 28.7-125.4-130.7 137.4 56.1 17.8 38.0 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.9 -19,-0.2 2,-0.3 -0.479 28.7-112.5 -79.8 153.5 52.9 17.7 40.0 67 85 A A E -O 90 0C 23 -21,-2.0 23,-0.3 23,-0.2 -21,-0.1 -0.686 19.6-162.6 -83.0 137.7 49.6 18.0 38.2 68 86 A S E S- 0 0 80 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.864 74.5 -11.6 -88.2 -45.5 47.8 21.3 39.2 69 87 A K E -O 89 0C 85 20,-1.1 20,-2.7 2,-0.0 2,-0.4 -0.985 56.9-145.9-152.5 154.9 44.4 20.0 37.9 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.966 12.7-158.6-122.4 138.7 43.0 17.1 35.8 71 89 A I E -O 87 0C 32 16,-3.1 16,-2.1 -2,-0.4 2,-0.2 -0.923 4.3-161.8-124.4 102.4 40.0 17.7 33.5 72 90 A V E -O 86 0C 46 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.603 40.9 -92.3 -80.3 144.0 38.0 14.6 32.6 73 91 A H > - 0 0 23 12,-2.0 3,-1.9 10,-0.3 -1,-0.1 -0.370 34.3-128.1 -56.9 131.9 35.8 15.1 29.5 74 92 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.771 107.5 47.2 -55.4 -29.8 32.3 16.2 30.9 75 93 A S T 3 S+ 0 0 77 2,-0.1 2,-0.1 8,-0.1 -2,-0.1 0.152 77.9 138.1-100.7 18.9 30.6 13.4 28.9 76 94 A Y < - 0 0 57 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.452 39.1-157.5 -63.6 136.9 32.9 10.6 29.8 77 95 A N B >> -P 82 0D 63 5,-1.9 4,-2.6 -2,-0.1 5,-0.6 -0.963 8.3-159.4-119.5 111.2 30.9 7.4 30.5 78 96 A S T 45S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.642 89.6 54.2 -67.3 -12.1 32.7 4.9 32.7 79 97 A N T 45S+ 0 0 143 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.862 123.5 21.4 -91.1 -36.8 30.6 2.1 31.5 80 98 A T T 45S- 0 0 69 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.661 94.3-133.0-100.6 -19.8 31.1 2.4 27.8 81 99 A L T ><5 + 0 0 30 -4,-2.6 3,-0.8 1,-0.3 2,-0.2 0.672 48.4 159.2 71.8 26.4 34.4 4.3 28.0 82 100 A N B 3 < +P 77 0D 35 -5,-0.6 -5,-1.9 1,-0.3 -1,-0.3 -0.586 66.2 18.2 -76.5 143.1 33.0 6.7 25.4 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.894 79.5 174.5 61.5 46.1 34.9 10.1 25.5 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.511 33.5 114.0 -83.1 75.2 37.8 8.4 27.4 85 103 A I - 0 0 0 -2,-2.0 -12,-2.0 -47,-0.3 2,-0.3 -0.993 38.0-179.2-145.4 146.4 40.1 11.5 27.4 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.7 -2,-0.3 2,-0.4 -0.987 17.1-144.0-146.6 146.5 41.5 13.8 30.1 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-3.1 -2,-0.3 2,-0.4 -0.897 12.8-161.8-111.8 140.3 43.7 16.9 30.1 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.3 -2,-0.4 2,-0.4 -0.994 6.6-151.3-124.5 129.4 46.2 17.4 33.0 89 107 A K E -MO 34 69C 49 -20,-2.7 -21,-2.9 -2,-0.4 -20,-1.1 -0.831 18.9-130.8-100.3 139.5 47.7 20.8 33.6 90 108 A L E - O 0 67C 1 -57,-2.6 -23,-0.2 -2,-0.4 3,-0.1 -0.628 11.3-127.0 -90.2 148.2 51.2 20.8 35.2 91 109 A K S S+ 0 0 134 -25,-2.9 2,-0.3 -2,-0.2 -24,-0.1 0.879 97.1 11.3 -61.8 -40.2 52.1 23.0 38.2 92 110 A S S S- 0 0 70 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.929 95.6 -92.9-133.9 159.8 55.1 24.5 36.3 93 111 A A - 0 0 53 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.461 40.0-118.4 -75.5 146.6 56.0 24.3 32.6 94 112 A A - 0 0 8 -62,-2.9 2,-0.7 -2,-0.1 -1,-0.1 -0.409 24.7-112.6 -78.7 159.5 58.3 21.5 31.5 95 113 A S - 0 0 81 -2,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.883 38.3-154.0 -94.5 117.9 61.7 22.4 29.9 96 114 A L + 0 0 74 -2,-0.7 5,-0.2 3,-0.1 2,-0.2 -0.678 36.8 122.4 -96.9 152.1 61.4 21.2 26.3 97 115 A N S S- 0 0 66 3,-3.2 -1,-0.1 -2,-0.3 0, 0.0 -0.602 78.7 -51.1-168.9-131.8 64.4 20.2 24.1 98 116 A S S S+ 0 0 87 -2,-0.2 3,-0.2 1,-0.1 -2,-0.0 0.760 133.7 44.7 -99.2 -30.1 65.2 16.9 22.2 99 117 A R S S+ 0 0 98 1,-0.3 2,-0.4 -87,-0.1 -48,-0.2 0.696 123.3 36.2 -86.2 -22.3 64.7 14.4 25.0 100 118 A V S S+ 0 0 2 -50,-0.1 -3,-3.2 -49,-0.1 2,-0.3 -0.982 79.6 144.1-132.7 117.5 61.4 16.1 26.2 101 119 A A - 0 0 27 -88,-1.3 -72,-0.3 -2,-0.4 2,-0.1 -0.979 44.6-110.2-149.1 156.9 59.2 17.5 23.4 102 120 A S - 0 0 54 -2,-0.3 2,-0.3 -72,-0.1 -72,-0.3 -0.497 24.9-131.5 -89.2 161.5 55.5 17.9 22.7 103 121 A I - 0 0 15 -74,-2.3 2,-0.2 -89,-0.2 83,-0.1 -0.835 27.7-112.3-107.9 148.3 53.6 15.9 20.0 104 122 A S B -c 186 0B 66 81,-0.7 83,-2.8 -2,-0.3 -73,-0.1 -0.530 21.6-122.9 -83.9 150.2 51.2 17.8 17.6 105 123 A L - 0 0 33 81,-0.2 83,-0.1 -2,-0.2 -1,-0.1 -0.569 39.6-101.7 -83.9 150.4 47.4 17.4 17.6 106 124 A P - 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