==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-MAY-11 3RXP . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.YAMANE,M.YAO,Y.ZHOU,I.TANAKA . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 58.7 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 . 67 30.0 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 . 12 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 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 . 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 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 . 2 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 19 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.5 -8.0 -8.5 14.6 2 20 A V B +A 171 0A 10 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.872 360.0 5.3-100.3 131.2 -10.3 -9.3 17.5 3 21 A G S S+ 0 0 47 121,-0.6 -1,-0.2 -2,-0.4 169,-0.1 0.733 102.3 122.0 72.3 24.4 -12.0 -6.4 19.4 4 22 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.022 56.9-109.7 -96.8-158.2 -10.7 -3.8 16.9 5 23 A Y E -B 137 0B 97 132,-2.6 132,-3.0 -3,-0.1 2,-0.4 -0.944 34.3 -91.0-136.9 157.1 -12.4 -1.2 14.7 6 24 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.581 36.8-150.6 -67.6 119.2 -12.9 -0.7 10.9 7 25 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.908 34.8-113.4 -59.5 -44.1 -9.8 1.3 9.9 8 26 A G > - 0 0 25 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.049 47.7 -56.4 105.8 140.5 -11.5 3.1 7.0 9 27 A A T 3 S- 0 0 54 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.259 118.0 -12.3 -58.0 123.6 -10.5 2.7 3.3 10 28 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.674 91.7 127.1 61.4 24.1 -6.8 3.3 2.6 11 29 A T S < S+ 0 0 84 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.534 74.4 50.0 -83.3 -10.4 -6.2 4.9 6.1 12 30 A V S > S+ 0 0 7 -4,-0.3 3,-1.8 87,-0.1 -1,-0.2 -0.739 74.2 175.6-123.8 77.6 -3.3 2.5 6.6 13 31 A P T 3 S+ 0 0 31 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.607 72.5 56.0 -72.8 -11.9 -1.5 3.1 3.3 14 32 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.518 82.0 108.3 -90.0 -10.2 1.6 0.9 4.1 15 33 A Q E < -J 28 0C 5 -3,-1.8 37,-0.4 13,-0.2 36,-0.4 -0.560 49.3-175.6 -72.9 125.7 -0.6 -2.2 4.8 16 34 A V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.4 2,-0.5 -0.840 20.6-138.8-116.8 158.4 -0.4 -4.8 2.1 17 35 A S E -JK 26 49C 1 32,-2.3 32,-2.7 -2,-0.3 2,-0.5 -0.977 14.5-143.5-111.3 128.8 -2.2 -8.1 1.5 18 36 A L E -JK 25 48C 0 7,-3.0 6,-2.4 -2,-0.5 7,-1.0 -0.848 24.1-167.6 -91.5 127.2 -0.1 -11.1 0.3 19 37 A N E +JK 23 47C 21 28,-2.9 28,-2.6 -2,-0.5 4,-0.2 -0.964 31.0 167.0-126.6 129.2 -2.2 -13.1 -2.1 20 38 A S S S- 0 0 31 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.314 97.8 -45.3-127.1 47.4 -1.6 -16.6 -3.6 21 39 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.181 140.8 26.3 103.1 -11.0 -5.1 -17.1 -5.0 22 40 A Y S S- 0 0 129 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.936 102.7 -79.7-171.1 154.2 -6.4 -15.7 -1.7 23 41 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.546 51.5 158.5 -63.9 130.5 -5.2 -13.4 1.1 24 42 A F E + 0 0 33 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.491 58.2 5.3-129.7 -12.5 -2.9 -15.4 3.4 25 43 A b E -J 18 0C 6 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.985 61.2-120.0-164.2 159.0 -0.8 -12.8 5.2 26 44 A G E +J 17 0C 0 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.427 28.6 177.6 -92.2 177.4 -0.2 -9.1 5.8 27 45 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.955 24.5-118.3-168.4 171.3 2.9 -7.1 5.1 28 46 A S E -JL 15 36C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.993 19.0-132.7-128.5 128.4 4.3 -3.5 5.3 29 47 A L E + L 0 35C 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.675 27.4 172.4 -77.6 121.8 5.5 -1.5 2.4 30 48 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.567 67.0 -8.4-111.9 -16.3 8.9 0.0 3.3 31 49 A N E > S- L 0 34C 47 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.936 88.6 -78.5-158.6-175.8 9.8 1.5 -0.1 32 50 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.733 128.0 29.3 -59.8 -23.1 8.5 1.5 -3.7 33 51 A Q T 3 S+ 0 0 80 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.455 110.9 68.8-114.5 -5.4 10.1 -2.0 -4.3 34 52 A W E < -LM 31 89C 2 -3,-0.7 -4,-2.3 55,-0.2 -3,-1.3 -0.961 47.0-171.8-134.6 138.8 10.1 -3.8 -1.0 35 53 A V E -LM 29 88C 0 53,-2.7 53,-2.9 -2,-0.4 2,-0.4 -0.954 14.3-147.6-121.9 139.1 7.7 -5.3 1.6 36 54 A V E +LM 28 87C 1 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.915 32.0 148.7-105.1 135.8 8.5 -6.6 5.0 37 55 A S E - M 0 86C 0 49,-2.7 49,-2.3 -2,-0.4 2,-0.3 -0.749 49.4 -66.4-144.1-169.8 6.5 -9.5 6.4 38 56 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.685 33.2-131.8 -87.9 142.8 6.8 -12.5 8.7 39 57 A A G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.830 108.3 65.1 -58.4 -34.1 9.1 -15.4 7.8 40 58 A H G 3 S+ 0 0 62 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.598 92.7 64.4 -69.5 -7.3 6.3 -17.8 8.6 41 59 A b G < S+ 0 0 4 -3,-1.5 -1,-0.3 -15,-0.0 -2,-0.2 0.410 76.3 129.8 -87.2 -0.6 4.4 -16.2 5.7 42 60 A Y < + 0 0 141 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.308 22.6 130.0 -59.7 133.9 7.0 -17.5 3.2 43 61 A K - 0 0 55 -2,-0.0 3,-0.3 3,-0.0 2,-0.1 -0.925 53.6 -99.3-164.6 168.5 5.6 -19.4 0.2 44 62 A S S S+ 0 0 99 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.462 94.7 42.0 -85.7 165.0 6.1 -19.3 -3.6 45 63 A G S S+ 0 0 66 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.881 73.8 171.5 70.4 42.8 3.8 -17.5 -6.0 46 64 A I - 0 0 9 -3,-0.3 21,-2.5 21,-0.1 2,-0.5 -0.717 18.9-167.9 -90.5 129.6 3.2 -14.4 -4.0 47 65 A Q E -KN 19 66C 50 -28,-2.6 -28,-2.9 -2,-0.4 2,-0.5 -0.980 17.5-140.4-110.0 127.6 1.3 -11.4 -5.4 48 66 A V E -KN 18 65C 0 17,-2.9 17,-2.8 -2,-0.5 2,-0.6 -0.766 13.1-159.8 -88.3 128.0 1.5 -8.2 -3.4 49 67 A R E -KN 17 64C 50 -32,-2.7 -32,-2.3 -2,-0.5 3,-0.3 -0.942 12.9-178.8-114.9 111.0 -1.7 -6.3 -3.2 50 68 A L E + N 0 63C 2 13,-2.9 13,-1.9 -2,-0.6 -34,-0.1 -0.663 60.4 33.5-103.3 161.3 -1.3 -2.6 -2.2 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.721 84.2 156.3 68.7 23.5 -4.0 0.0 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.590 22.5 148.9 -86.2 139.5 -6.5 -2.5 -0.5 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 -2,-0.3 -1,-0.1 0.340 81.6 30.3-116.0 -82.9 -9.5 -2.0 1.7 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.655 72.6-161.9 -73.0 112.5 -12.1 -4.7 0.8 55 73 A I T 3 S+ 0 0 33 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.603 86.8 54.2 -75.5 -9.8 -9.9 -7.6 -0.4 56 74 A N T 3 S+ 0 0 125 77,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.470 106.0 56.7 -97.6 -4.2 -12.8 -9.2 -2.2 57 75 A V S < S- 0 0 75 -3,-1.1 2,-0.8 76,-0.1 -4,-0.3 -0.991 77.5-129.4-133.5 132.9 -13.8 -6.2 -4.3 58 76 A V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.747 33.4 172.8 -79.3 109.8 -11.8 -4.1 -6.8 59 77 A E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.547 50.5 -99.0-103.8 -12.4 -12.5 -0.6 -5.4 60 78 A G S S+ 0 0 61 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.283 104.3 74.8 120.7 -9.3 -10.1 1.5 -7.5 61 79 A N + 0 0 68 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.318 68.3 119.1-113.0 8.0 -7.0 2.3 -5.5 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.339 42.4-165.1 -75.5 151.6 -5.3 -1.2 -5.7 63 81 A Q E -N 50 0C 39 -13,-1.9 -13,-2.9 -2,-0.1 2,-0.6 -0.981 7.7-161.0-130.1 124.8 -2.0 -2.0 -7.2 64 82 A F E +N 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.944 18.4 169.3-107.2 117.6 -1.3 -5.8 -7.8 65 83 A I E -N 48 0C 13 -17,-2.8 -17,-2.9 -2,-0.6 2,-0.1 -0.989 28.6-129.6-137.0 123.6 2.4 -6.6 -8.3 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.9 -19,-0.3 2,-0.3 -0.374 28.4-111.4 -69.8 147.0 4.0 -10.0 -8.3 67 85 A A E -O 90 0C 16 -21,-2.5 23,-0.3 23,-0.2 3,-0.1 -0.626 22.0-167.7 -76.8 135.5 7.0 -10.7 -6.1 68 86 A S E S- 0 0 62 21,-2.5 2,-0.3 1,-0.4 22,-0.2 0.704 73.1 -3.0 -91.8 -28.2 10.3 -11.2 -8.0 69 87 A K E -O 89 0C 83 20,-1.1 20,-2.8 2,-0.0 2,-0.4 -0.978 56.8-150.9-159.7 152.9 12.1 -12.6 -4.9 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.974 7.9-162.0-124.9 142.4 11.6 -13.3 -1.2 71 89 A I E -O 87 0C 35 16,-3.1 16,-2.6 -2,-0.4 2,-0.2 -0.912 5.3-160.8-129.0 102.1 14.4 -13.3 1.4 72 90 A V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.593 41.8 -90.2 -75.4 141.3 13.7 -15.1 4.7 73 91 A H > - 0 0 23 12,-2.2 3,-1.8 10,-0.3 -1,-0.1 -0.265 33.3-125.9 -54.6 136.9 16.0 -14.0 7.5 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.779 108.4 44.3 -57.4 -27.8 19.1 -16.3 7.6 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.222 78.8 138.1-104.4 12.1 18.5 -17.1 11.3 76 94 A Y < - 0 0 53 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.401 34.6-164.7 -60.7 127.4 14.8 -17.8 11.1 77 95 A N > - 0 0 68 5,-2.1 4,-1.9 -2,-0.1 5,-0.5 -0.976 7.3-161.4-114.6 114.8 13.8 -20.8 13.2 78 96 A S T 4 S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.661 87.3 55.8 -73.8 -16.3 10.3 -22.0 12.3 79 97 A N T 4 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.937 123.8 21.9 -76.6 -49.9 9.9 -24.0 15.6 80 98 A T T 4 S- 0 0 75 2,-0.1 -2,-0.2 76,-0.0 -1,-0.1 0.590 97.3-133.2 -90.3 -15.1 10.7 -21.2 18.0 81 99 A L >< + 0 0 33 -4,-1.9 3,-0.8 1,-0.2 2,-0.2 0.622 47.3 160.5 60.8 19.6 9.7 -18.4 15.5 82 100 A N T 3 + 0 0 38 -5,-0.5 -5,-2.1 1,-0.2 -1,-0.2 -0.505 67.0 16.9 -66.4 135.8 12.9 -16.6 16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.907 79.9 179.9 64.5 46.5 13.8 -14.0 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.505 35.6 114.3 -81.4 76.1 10.3 -14.2 12.2 85 103 A I + 0 0 0 -2,-2.0 -12,-2.2 -47,-0.3 2,-0.3 -0.997 36.3 176.8-148.9 143.2 11.0 -11.7 9.4 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.7 -2,-0.3 2,-0.4 -0.992 19.2-139.8-147.3 145.9 11.2 -11.8 5.6 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.1 -2,-0.3 2,-0.4 -0.886 13.4-163.8-106.5 141.2 11.7 -9.3 2.8 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.7 -2,-0.4 2,-0.4 -0.993 7.1-151.1-126.0 124.7 9.7 -9.4 -0.5 89 107 A K E -MO 34 69C 40 -20,-2.8 -21,-2.5 -2,-0.4 -20,-1.1 -0.817 15.8-130.6 -96.2 136.1 10.8 -7.6 -3.6 90 108 A L E - 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0 0 28 -88,-1.3 -72,-0.3 -2,-0.4 2,-0.1 -0.979 44.7-112.6-142.3 146.8 2.8 4.8 1.0 102 120 A S - 0 0 57 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.411 25.1-133.5 -76.0 154.8 5.9 3.4 2.7 103 121 A I - 0 0 13 -74,-2.4 83,-0.1 -89,-0.2 2,-0.1 -0.927 26.6-112.6-108.0 136.8 6.3 3.2 6.5 104 122 A S B -c 186 0B 64 81,-0.7 83,-2.6 -2,-0.4 -73,-0.1 -0.354 24.7-122.6 -67.3 143.0 9.6 4.4 8.1 105 123 A L - 0 0 27 81,-0.2 83,-0.1 -75,-0.2 2,-0.1 -0.518 37.7 -98.3 -77.0 153.4 11.9 1.9 9.8 106 124 A P - 0 0 4 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.415 21.6-162.6 -72.5 149.6 12.7 2.6 13.4 107 125 A T S S+ 0 0 134 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.579 83.8 17.6 -99.3 -21.0 15.9 4.4 14.4 108 126 A S S S- 0 0 81 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.972 91.9 -94.7-142.0 160.7 15.5 3.1 18.0 109 127 A c - 0 0 56 -2,-0.3 2,-0.3 -3,-0.1 79,-0.0 -0.386 40.8-117.2 -71.9 151.0 13.5 0.4 19.7 110 128 A A - 0 0 26 78,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.690 28.2-125.2 -93.4 146.3 10.2 1.3 21.2 111 129 A S > - 0 0 85 -2,-0.3 3,-2.0 1,-0.1 31,-0.3 -0.400 31.5 -83.8 -90.1 161.1 9.5 1.0 25.0 112 130 A A T 3 S+ 0 0 58 1,-0.2 31,-0.2 -2,-0.1 -1,-0.1 -0.374 118.8 34.0 -54.2 136.9 6.9 -0.8 27.0 113 131 A G T 3 S+ 0 0 52 29,-3.2 -1,-0.2 1,-0.4 2,-0.1 0.157 82.1 137.5 94.5 -18.4 3.9 1.5 27.2 114 132 A T < - 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