==== 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 3RXC . 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) . 9270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 71 31.8 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 . 4 1.8 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 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 . 4 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 0.000 360.0 360.0 360.0 124.8 -8.0 -8.6 14.6 2 20 A V B +A 171 0A 10 169,-2.9 169,-2.0 1,-0.2 123,-0.1 -0.887 360.0 6.0-102.3 132.4 -10.3 -9.3 17.6 3 21 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.744 102.7 121.1 72.8 25.5 -11.9 -6.4 19.4 4 22 A G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.037 56.8-111.1-100.1-158.2 -10.7 -3.8 16.9 5 23 A Y E -B 137 0B 96 132,-2.6 132,-3.2 -3,-0.1 2,-0.5 -0.938 34.0 -90.1-137.2 159.4 -12.4 -1.3 14.7 6 24 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.609 36.6-151.5 -69.2 118.4 -12.9 -0.8 10.9 7 25 A a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.901 35.1-113.2 -58.9 -45.1 -9.8 1.3 9.9 8 26 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.049 47.5 -56.2 106.9 140.8 -11.5 3.1 7.0 9 27 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.260 118.0 -12.3 -58.8 124.7 -10.5 2.6 3.4 10 28 A N T 3 S+ 0 0 25 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.668 91.5 126.6 60.9 24.7 -6.8 3.3 2.7 11 29 A T S < S+ 0 0 85 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.518 75.2 49.7 -84.4 -9.3 -6.2 5.0 6.1 12 30 A V S > S+ 0 0 7 -4,-0.3 3,-1.8 87,-0.1 -1,-0.2 -0.725 74.1 174.3-124.5 75.9 -3.3 2.5 6.6 13 31 A P T 3 S+ 0 0 31 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.586 72.2 56.3 -72.4 -11.9 -1.5 3.1 3.3 14 32 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.502 82.2 108.4 -89.6 -10.7 1.6 0.9 4.1 15 33 A Q E < -J 28 0C 5 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.564 50.2-173.8 -72.1 125.8 -0.6 -2.2 4.8 16 34 A V E -J 27 0C 1 11,-2.4 11,-1.1 -2,-0.4 2,-0.5 -0.842 20.1-139.0-116.1 156.6 -0.4 -4.8 2.1 17 35 A S E -JK 26 49C 0 32,-2.4 32,-2.8 -2,-0.3 2,-0.5 -0.974 14.6-144.3-109.4 129.0 -2.2 -8.1 1.5 18 36 A L E -JK 25 48C 0 7,-3.0 6,-2.3 -2,-0.5 7,-0.9 -0.839 23.9-167.9 -91.7 127.1 -0.1 -11.1 0.3 19 37 A N E +JK 23 47C 21 28,-2.9 28,-2.7 -2,-0.5 4,-0.2 -0.966 31.5 167.3-127.2 128.7 -2.2 -13.1 -2.1 20 38 A S S S- 0 0 30 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.338 98.2 -46.4-126.6 49.5 -1.6 -16.6 -3.6 21 39 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.192 140.9 28.0 99.2 -11.1 -5.1 -17.0 -5.0 22 40 A Y S S- 0 0 131 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.940 102.1 -80.9-168.1 157.3 -6.4 -15.7 -1.7 23 41 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.569 51.0 157.4 -67.1 130.5 -5.2 -13.4 1.2 24 42 A F E + 0 0 34 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.479 58.7 6.2-131.1 -11.4 -2.9 -15.4 3.5 25 43 A b E -J 18 0C 6 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.4 -0.979 61.6-120.7-166.2 156.1 -0.8 -12.8 5.3 26 44 A G E +J 17 0C 0 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.422 28.4 178.5 -90.2 174.2 -0.2 -9.1 5.8 27 45 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.1 2,-0.4 -0.952 24.1-119.1-163.4 172.4 2.9 -7.1 5.1 28 46 A S E -JL 15 36C 0 8,-2.6 8,-2.8 -2,-0.3 2,-0.5 -0.992 19.0-132.5-126.4 129.4 4.3 -3.5 5.3 29 47 A L E + L 0 35C 1 -15,-2.5 74,-2.5 -2,-0.4 6,-0.2 -0.686 27.9 171.9 -77.5 123.2 5.5 -1.5 2.3 30 48 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.575 66.8 -6.3-113.3 -16.8 8.9 0.1 3.3 31 49 A N E > S- L 0 34C 51 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.942 89.3 -78.8-157.5-176.8 9.8 1.5 -0.1 32 50 A S T 3 S+ 0 0 44 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.725 128.1 27.5 -58.7 -20.9 8.5 1.5 -3.7 33 51 A Q T 3 S+ 0 0 59 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.439 110.3 69.8-120.8 -0.8 10.0 -2.0 -4.3 34 52 A W E < -LM 31 89C 6 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.3 -0.965 47.3-170.5-135.0 139.4 10.1 -3.8 -1.0 35 53 A V E -LM 29 88C 0 53,-2.6 53,-2.8 -2,-0.4 2,-0.4 -0.964 13.6-147.2-122.3 138.6 7.7 -5.3 1.6 36 54 A V E +LM 28 87C 0 -8,-2.8 -8,-2.6 -2,-0.4 2,-0.2 -0.912 32.7 148.5-103.2 135.7 8.5 -6.6 5.1 37 55 A S E - M 0 86C 0 49,-2.7 49,-2.1 -2,-0.4 2,-0.3 -0.734 49.8 -67.2-143.7-169.0 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 -0.701 33.0-132.5 -89.7 142.7 6.8 -12.5 8.7 39 57 A A G > S+ 0 0 2 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.844 108.1 64.4 -59.0 -34.4 9.2 -15.4 7.7 40 58 A H G 3 S+ 0 0 60 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.630 92.9 64.4 -68.7 -9.9 6.4 -17.9 8.6 41 59 A b G < S+ 0 0 4 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.445 77.1 130.7 -83.3 -2.9 4.4 -16.2 5.7 42 60 A Y < + 0 0 136 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.258 21.6 130.0 -58.6 134.1 7.0 -17.5 3.2 43 61 A K - 0 0 54 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.926 53.0-101.1-164.9 167.6 5.7 -19.3 0.2 44 62 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.475 94.4 43.7 -86.7 165.8 6.2 -19.2 -3.6 45 63 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.860 73.7 169.9 71.3 39.6 3.7 -17.5 -6.0 46 64 A I - 0 0 9 -3,-0.3 21,-2.6 21,-0.1 2,-0.5 -0.707 19.8-167.5 -87.6 128.1 3.1 -14.4 -4.0 47 65 A Q E -KN 19 66C 50 -28,-2.7 -28,-2.9 -2,-0.4 2,-0.5 -0.975 17.7-140.3-106.4 128.5 1.2 -11.4 -5.4 48 66 A V E -KN 18 65C 0 17,-2.9 17,-2.6 -2,-0.5 2,-0.6 -0.776 13.5-159.7 -88.6 127.5 1.5 -8.2 -3.4 49 67 A R E -KN 17 64C 49 -32,-2.8 -32,-2.4 -2,-0.5 3,-0.3 -0.936 12.8-179.3-114.6 112.6 -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 -0.667 60.4 34.0-105.1 161.2 -1.4 -2.6 -2.2 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.702 84.1 155.4 69.7 21.4 -4.1 0.0 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.569 22.3 148.7 -84.3 139.9 -6.6 -2.5 -0.4 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.317 81.8 30.7-116.3 -82.6 -9.5 -2.0 1.8 54 72 A N S > S- 0 0 31 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.651 72.7-161.7 -73.9 112.5 -12.1 -4.7 0.8 55 73 A I T 3 S+ 0 0 29 78,-2.5 -1,-0.2 -2,-0.7 79,-0.1 0.591 86.6 53.9 -76.3 -7.2 -9.9 -7.6 -0.3 56 74 A N T 3 S+ 0 0 118 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.463 105.9 56.5-101.1 -2.7 -12.8 -9.2 -2.2 57 75 A V S < S- 0 0 77 -3,-1.1 2,-0.8 76,-0.1 -4,-0.3 -0.993 77.7-128.8-134.1 133.3 -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 -0.746 33.2 173.2 -79.5 109.6 -11.8 -4.1 -6.7 59 77 A E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.527 50.7 -99.1-103.2 -10.9 -12.5 -0.6 -5.3 60 78 A G S S+ 0 0 61 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.352 104.7 74.9 117.2 -4.1 -10.2 1.5 -7.5 61 79 A N + 0 0 69 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.340 68.1 118.7-115.2 5.5 -7.0 2.3 -5.5 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.3 -0.330 42.4-165.3 -74.1 150.7 -5.4 -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 -0.985 7.4-160.9-129.2 125.0 -2.0 -2.0 -7.2 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.944 18.5 168.5-107.4 117.4 -1.4 -5.7 -7.8 65 83 A I E -N 48 0C 12 -17,-2.6 -17,-2.9 -2,-0.6 2,-0.1 -0.994 29.1-129.4-136.3 124.9 2.4 -6.5 -8.3 66 84 A S E -N 47 0C 52 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.396 28.7-110.2 -71.2 147.4 4.0 -10.0 -8.3 67 85 A A E -O 90 0C 19 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.605 22.7-167.5 -75.4 136.5 6.9 -10.7 -6.1 68 86 A S E S- 0 0 55 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.709 72.9 -1.4 -92.0 -29.3 10.2 -11.2 -8.0 69 87 A K E -O 89 0C 75 20,-1.1 20,-2.8 2,-0.0 2,-0.4 -0.984 57.3-150.9-159.0 151.4 12.1 -12.6 -4.9 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.973 8.2-163.7-124.7 141.9 11.6 -13.4 -1.3 71 89 A I E -O 87 0C 38 16,-3.1 16,-2.7 -2,-0.4 2,-0.3 -0.915 4.9-160.8-130.0 104.0 14.3 -13.3 1.4 72 90 A V E -O 86 0C 47 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.601 41.2 -90.9 -78.2 141.4 13.7 -15.1 4.7 73 91 A H > - 0 0 23 12,-2.3 3,-1.9 -2,-0.3 -1,-0.1 -0.266 33.3-126.3 -54.0 136.9 16.0 -14.0 7.5 74 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.783 108.0 44.9 -58.5 -27.5 19.1 -16.2 7.6 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.215 78.9 138.4-103.2 11.8 18.5 -17.1 11.3 76 94 A Y < - 0 0 53 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.410 34.9-164.1 -61.0 126.5 14.8 -17.7 11.1 77 95 A N > - 0 0 68 5,-2.1 4,-1.9 -2,-0.2 5,-0.5 -0.972 7.4-162.1-112.9 114.6 13.8 -20.8 13.2 78 96 A S T 4 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.676 87.7 54.9 -72.2 -18.0 10.3 -22.0 12.3 79 97 A N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.926 124.0 22.5 -77.8 -48.0 10.0 -24.1 15.5 80 98 A T T 4 S- 0 0 76 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.571 97.0-132.7 -92.1 -13.2 10.7 -21.2 18.0 81 99 A L >< + 0 0 32 -4,-1.9 3,-0.8 1,-0.2 2,-0.2 0.640 47.9 160.3 59.2 21.4 9.7 -18.4 15.5 82 100 A N T 3 + 0 0 38 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.2 -0.522 66.8 16.2 -69.0 137.1 12.9 -16.6 16.5 83 101 A N T 3 S- 0 0 18 -7,-0.2 2,-2.1 -2,-0.2 -1,-0.3 0.908 79.5-179.7 62.5 47.0 13.8 -14.0 13.7 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.493 36.1 115.0 -80.2 75.2 10.3 -14.2 12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.997 35.6 175.0-147.8 143.8 11.0 -11.7 9.4 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.7 -2,-0.3 2,-0.4 -0.990 19.6-139.8-149.3 146.0 11.2 -11.8 5.6 87 105 A L E -MO 36 71C 0 -16,-2.7 -16,-3.1 -2,-0.3 2,-0.4 -0.902 13.0-164.2-108.8 140.8 11.6 -9.3 2.8 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.6 -2,-0.4 2,-0.4 -0.992 7.5-150.9-125.5 125.9 9.7 -9.5 -0.5 89 107 A K E -MO 34 69C 35 -20,-2.8 -21,-2.7 -2,-0.4 -20,-1.1 -0.826 15.8-130.5 -97.5 137.3 10.8 -7.5 -3.6 90 108 A L E - 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0 0 28 -88,-1.4 -72,-0.3 -2,-0.4 2,-0.1 -0.977 44.2-113.1-142.5 147.7 2.8 4.8 1.0 102 120 A S - 0 0 58 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.460 26.4-132.4 -78.5 154.1 5.9 3.4 2.6 103 121 A I - 0 0 13 -74,-2.5 83,-0.1 -89,-0.2 2,-0.1 -0.915 26.1-112.4-107.9 136.2 6.3 3.2 6.4 104 122 A S B -c 186 0B 65 81,-0.7 83,-2.6 -2,-0.4 -73,-0.1 -0.359 25.4-123.1 -67.6 141.7 9.5 4.4 8.0 105 123 A L - 0 0 28 81,-0.2 83,-0.1 -75,-0.2 2,-0.1 -0.494 37.7 -97.4 -75.8 153.3 11.9 1.9 9.7 106 124 A P - 0 0 4 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.431 21.8-162.5 -71.8 147.8 12.7 2.6 13.4 107 125 A T S S+ 0 0 136 1,-0.3 2,-0.3 -2,-0.1 -2,-0.0 0.557 84.0 15.6 -96.8 -19.2 15.9 4.4 14.3 108 126 A S S S- 0 0 80 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.983 91.9 -93.3-147.3 159.3 15.5 3.1 17.9 109 127 A c - 0 0 54 -2,-0.3 2,-0.2 -3,-0.1 79,-0.0 -0.391 41.2-119.0 -71.7 146.6 13.5 0.5 19.7 110 128 A A - 0 0 28 78,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.623 28.3-123.3 -88.3 148.5 10.1 1.5 21.2 111 129 A S > - 0 0 83 -2,-0.2 3,-2.1 1,-0.1 31,-0.3 -0.476 31.1 -85.0 -91.5 157.7 9.5 1.1 24.9 112 130 A A T 3 S+ 0 0 57 1,-0.2 31,-0.2 -2,-0.2 -1,-0.1 -0.326 117.8 35.3 -50.9 137.7 6.9 -0.8 26.9 113 131 A G T 3 S+ 0 0 46 29,-3.3 -1,-0.2 1,-0.4 2,-0.2 0.166 82.0 134.8 93.8 -17.2 3.8 1.5 27.2 114 132 A T < - 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