diff --git a/data/1est.dssp b/data/1est.dssp new file mode 100644 index 0000000..7bd37c1 --- /dev/null +++ b/data/1est.dssp @@ -0,0 +1,268 @@ +==== Secondary Structure Definition by the program DSSP, CMBI version by M.L. Hekkelman/2010-10-21 ==== DATE=2012-03-20 . +REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . +HEADER HYDROLASE 17-MAY-76 1EST . +COMPND 2 MOLECULE: PORCINE PANCREATIC ELASTASE; . +SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . +AUTHOR L.SAWYER,D.M.SHOTTON,H.C.WATSON . + 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . + 10891.8 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . + 162 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . + 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . + 82 34.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . + 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . + 6 2.5 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 . + 26 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . + 30 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . + 10 4.2 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 1 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 RESIDUES PER ALPHA HELIX . + 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 0 PARALLEL BRIDGES PER LADDER . + 6 2 2 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . + 0 0 0 0 0 1 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 16 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 108.5 -11.1 33.8 35.9 + 2 17 A V B 3 +A 182 0A 7 180,-2.5 180,-1.9 1,-0.2 134,-0.1 -0.776 360.0 8.1 -84.5 125.5 -14.7 34.4 34.8 + 3 18 A G T 3 S+ 0 0 43 132,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.798 100.7 136.9 80.5 24.5 -16.0 37.9 35.4 + 4 19 A G < - 0 0 25 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.371 45.8-132.5-100.0 170.1 -12.7 39.3 36.5 + 5 20 A T E -B 147 0B 84 142,-2.6 142,-2.6 -2,-0.1 2,-0.1 -0.899 35.7 -86.0-114.8 165.7 -10.6 42.4 35.9 + 6 21 A E E -B 146 0B 116 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.432 44.9-137.8 -79.6 125.3 -6.9 42.9 35.0 + 7 22 A A - 0 0 5 138,-2.6 2,-0.4 -2,-0.1 -1,-0.1 -0.325 18.7-104.2 -76.0 161.6 -4.6 43.0 38.0 + 8 23 A Q >> - 0 0 133 -2,-0.1 3,-1.8 1,-0.1 4,-0.7 -0.782 31.7-116.3 -93.7 129.2 -1.7 45.3 38.6 + 9 24 A R T 34 S+ 0 0 109 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.849 114.3 36.3 -25.9 -47.2 1.8 43.9 38.0 + 10 25 A N T 34 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 99,-0.0 0.291 95.3 90.4 -95.2 -8.1 2.8 44.3 41.6 + 11 26 A S T <4 S+ 0 0 37 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.961 98.4 20.4 -54.7 -58.2 -0.5 43.5 43.2 + 12 27 A W >< + 0 0 25 -4,-0.7 3,-1.5 -3,-0.2 -1,-0.2 -0.621 69.2 166.5-120.7 81.0 -0.2 39.7 43.6 + 13 28 A P T 3 + 0 0 33 0, 0.0 97,-2.2 0, 0.0 45,-0.2 0.352 68.6 62.2 -95.3 15.7 3.5 38.8 43.6 + 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.3 97,-0.1 2,-0.3 0.326 76.6 113.3-108.5 -13.4 3.3 35.3 44.9 + 15 30 A Q E < -I 33 0C 7 -3,-1.5 43,-0.5 18,-0.2 44,-0.4 -0.580 48.5-171.3 -63.8 119.9 1.2 34.1 42.0 + 16 31 A I E -IJ 32 57C 0 16,-1.8 16,-0.9 -2,-0.3 2,-0.6 -0.912 22.1-128.7-115.2 158.2 3.1 31.7 39.7 + 17 32 A S E -IJ 31 56C 0 39,-2.0 39,-1.6 -2,-0.3 2,-0.7 -0.944 15.4-154.0-107.5 111.1 2.4 30.1 36.3 + 18 33 A L E -IJ 30 55C 0 12,-3.3 11,-2.8 -2,-0.6 12,-1.8 -0.891 24.0-178.6 -87.1 102.6 2.7 26.3 36.2 + 19 34 A Q E -IJ 28 54C 9 35,-2.7 35,-2.4 -2,-0.7 2,-0.3 -0.916 17.2-152.0-107.9 142.4 3.6 25.5 32.6 + 20 35 A Y E -IJ 27 53C 71 7,-2.4 7,-2.9 -2,-0.4 2,-1.0 -0.873 31.0-106.6-113.2 142.2 4.2 22.1 30.9 + 21 36 A R E -I 26 0C 135 31,-1.9 2,-1.3 -2,-0.3 31,-0.3 -0.731 31.4-167.7 -73.6 92.0 6.5 21.6 27.9 + 22 36AA S E > -I 25 0C 61 3,-1.9 3,-1.8 -2,-1.0 2,-0.8 -0.855 54.9 -82.7 -81.6 69.3 4.0 21.1 25.1 + 23 36BA G T 3 S+ 0 0 62 -2,-1.3 -1,-0.0 1,-0.3 -2,-0.0 -0.301 119.0 14.6 77.3 -82.9 6.5 19.8 22.6 + 24 36CA S T 3 S+ 0 0 125 -2,-0.8 -1,-0.3 -3,-0.1 2,-0.2 0.665 132.2 17.5 -91.7 -40.1 8.1 22.9 21.1 + 25 37 A S E < S-I 22 0C 71 -3,-1.8 -3,-1.9 -5,-0.1 2,-0.4 -0.696 82.8 -90.0-126.0-175.0 7.0 25.4 23.6 + 26 38 A W E -I 21 0C 62 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.868 32.7-158.1-108.7 135.8 5.6 25.9 27.1 + 27 39 A A E -I 20 0C 27 -7,-2.9 -7,-2.4 -2,-0.4 2,-0.1 -0.981 20.2-119.7-120.1 134.7 1.9 25.9 28.0 + 28 40 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.359 40.9 157.2 -70.1 115.2 0.1 27.3 31.0 + 29 41 A T E - 0 0C 43 -11,-2.8 2,-0.3 1,-0.4 159,-0.3 0.628 58.1 -2.9-106.4 -36.8 -1.8 24.6 32.8 + 30 42 A a E -I 18 0C 5 -12,-1.8 -12,-3.3 157,-0.1 -1,-0.4 -0.967 58.7-112.8-148.2 173.7 -2.2 25.9 36.4 + 31 43 A G E +I 17 0C 1 157,-2.2 12,-0.4 -2,-0.3 2,-0.3 -0.344 32.4 176.1 -99.5-179.3 -1.6 28.6 39.0 + 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-1.8 10,-0.1 2,-0.4 -0.974 26.9-114.8-175.2 173.1 0.5 28.4 42.2 + 33 45 A T E -IK 15 41C 0 8,-2.4 8,-3.1 -2,-0.3 2,-0.5 -0.984 19.4-137.8-134.2 111.0 1.9 30.1 45.2 + 34 46 A L E + K 0 40C 1 -20,-2.3 78,-2.4 -2,-0.4 6,-0.2 -0.643 32.3 164.7 -63.9 105.3 5.5 30.8 45.9 + 35 47 A I E + 0 0C 2 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.535 67.1 17.3 -97.6 -30.9 5.9 30.0 49.6 + 36 48 A R E > S- K 0 39C 96 3,-2.0 3,-1.0 74,-0.1 -1,-0.4 -0.928 88.1-102.9-129.9 166.3 9.7 29.7 49.8 + 37 49 A Q T 3 S+ 0 0 89 -2,-0.3 66,-2.6 1,-0.3 64,-0.1 0.812 128.2 23.2 -64.0 -14.6 12.4 31.0 47.3 + 38 50 A N T 3 S+ 0 0 36 64,-0.2 61,-2.8 62,-0.1 2,-0.4 0.168 113.8 82.0-131.0 -1.6 12.6 27.4 46.2 + 39 51 A W E < -KL 36 98C 4 -3,-1.0 -4,-2.4 59,-0.2 -3,-2.0 -0.991 52.1-170.3-117.0 136.2 9.2 26.0 47.3 + 40 52 A V E -KL 34 97C 0 57,-1.8 57,-2.8 -2,-0.4 2,-0.6 -0.937 12.2-148.4-126.4 128.5 5.9 26.3 45.4 + 41 53 A M E +KL 33 96C 0 -8,-3.1 -8,-2.4 -2,-0.4 55,-0.2 -0.928 35.5 144.7-100.3 111.3 2.4 25.4 46.7 + 42 54 A T E - L 0 95C 0 53,-2.8 53,-2.6 -2,-0.6 2,-0.4 -0.619 51.2 -75.2-130.3-177.2 -0.1 24.1 44.0 + 43 55 A A - 0 0 0 -12,-0.4 4,-0.5 51,-0.3 3,-0.4 -0.802 28.0-137.3 -89.2 133.1 -2.9 21.6 43.5 + 44 56 A A S > S+ 0 0 0 -2,-0.4 3,-1.4 1,-0.2 -1,-0.1 0.858 102.7 68.7 -56.6 -24.6 -2.1 17.9 43.2 + 45 57 A H G > S+ 0 0 77 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.870 95.0 56.2 -69.4 -23.5 -4.6 17.7 40.4 + 46 58 A a G 3 S+ 0 0 14 -3,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.659 107.8 45.1 -77.9 -35.1 -2.3 19.8 38.3 + 47 59 A V G < S+ 0 0 18 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 -0.036 78.8 108.1-104.1 23.0 0.7 17.5 38.6 + 48 60 A D < + 0 0 48 -3,-1.2 2,-0.3 2,-0.1 -1,-0.1 0.870 68.2 65.3 -60.8 -49.5 -1.2 14.2 38.0 + 49 61 A R S S- 0 0 200 -4,-0.2 2,-2.1 -3,-0.2 0, 0.0 -0.675 93.3-116.2 -88.3 123.5 0.3 13.6 34.5 + 50 62 A E + 0 0 197 -2,-0.3 2,-0.1 2,-0.0 -1,-0.1 -0.540 62.6 141.6 -59.5 79.9 4.0 13.0 34.2 + 51 63 A L - 0 0 77 -2,-2.1 2,-0.6 -29,-0.0 -29,-0.1 -0.323 60.5 -94.9-111.8 172.9 4.9 16.1 32.2 + 52 64 A T - 0 0 89 -31,-0.3 -31,-1.9 -2,-0.1 2,-0.3 -0.952 48.2-161.6 -97.4 107.4 7.9 18.5 32.3 + 53 65 A F E -J 20 0C 13 -2,-0.6 21,-1.2 -33,-0.2 2,-0.3 -0.791 16.0-176.9 -96.7 141.4 7.0 21.4 34.5 + 54 65AA R E -JM 19 73C 54 -35,-2.4 -35,-2.7 -2,-0.3 2,-0.4 -0.942 16.8-142.2-131.1 142.9 8.4 24.9 34.8 + 55 66 A V E -JM 18 72C 0 17,-3.1 17,-2.5 -2,-0.3 2,-0.5 -0.929 10.4-160.0-106.3 123.6 7.4 27.7 37.2 + 56 67 A V E -JM 17 71C 0 -39,-1.6 -39,-2.0 -2,-0.4 3,-0.4 -0.992 7.1-169.9-110.0 109.2 7.4 31.3 36.1 + 57 68 A V E +JM 16 70C 3 13,-2.1 13,-1.8 -2,-0.5 52,-0.1 -0.712 69.7 32.4 -93.7 144.0 7.5 33.9 38.8 + 58 69 A G S S+ 0 0 5 -43,-0.5 10,-0.3 50,-0.5 2,-0.3 0.859 83.5 155.8 85.5 19.4 6.9 37.6 37.9 + 59 70 A E + 0 0 16 -44,-0.4 -1,-0.2 -3,-0.4 3,-0.1 -0.691 16.8 149.1 -76.5 149.4 4.5 36.8 35.1 + 60 71 A H S S+ 0 0 11 1,-0.3 85,-1.2 -2,-0.3 2,-0.6 0.363 73.8 32.7-139.1 -53.2 1.8 39.2 33.9 + 61 72 A N B > -O 144 0D 13 3,-0.4 3,-1.1 83,-0.2 -1,-0.3 -0.928 64.4-161.0-118.8 99.2 1.3 38.6 30.2 + 62 73 A L T 3 S+ 0 0 33 81,-2.3 -1,-0.2 -2,-0.6 82,-0.1 0.935 93.9 41.7 -39.8 -44.0 1.8 34.9 29.3 + 63 74 A N T 3 S+ 0 0 124 80,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.296 112.7 61.8 -93.8 3.1 2.2 35.7 25.7 + 64 75 A Q S < S- 0 0 104 -3,-1.1 2,-0.5 79,-0.2 -3,-0.4 -0.988 85.7-108.4-142.6 133.9 4.4 38.8 26.1 + 65 76 A N - 0 0 121 -2,-0.4 -3,-0.1 1,-0.2 -2,-0.1 -0.602 29.9-179.8 -59.3 105.7 7.8 39.7 27.7 + 66 77 A N - 0 0 17 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.393 36.5-131.3 -83.3 -13.3 7.0 41.6 30.8 + 67 78 A G S S+ 0 0 59 1,-0.1 -8,-0.1 0, 0.0 -2,-0.1 0.444 93.9 79.7 76.7 -1.9 10.7 41.9 31.6 + 68 79 A T + 0 0 29 -10,-0.3 -1,-0.1 40,-0.0 40,-0.1 0.274 64.1 122.5-116.0 4.0 10.1 40.7 35.1 + 69 80 A E - 0 0 26 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.315 40.5-164.6 -79.5 141.0 9.9 37.0 34.5 + 70 81 A Q E -M 57 0C 49 -13,-1.8 -13,-2.1 2,-0.1 2,-0.6 -0.953 9.8-154.8-121.2 119.7 12.0 34.3 36.2 + 71 82 A Y E +M 56 0C 122 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.869 21.8 167.5-100.7 111.3 11.9 30.8 34.6 + 72 83 A V E -M 55 0C 16 -17,-2.5 -17,-3.1 -2,-0.6 2,-0.1 -0.975 26.9-129.4-129.4 140.2 12.7 27.9 36.9 + 73 84 A G E -M 54 0C 33 -2,-0.3 27,-2.6 -19,-0.2 2,-0.6 -0.430 23.2-115.3 -83.5 158.2 12.4 24.1 36.6 + 74 85 A V E +N 99 0C 30 -21,-1.2 25,-0.3 25,-0.3 -21,-0.2 -0.937 29.4 176.8 -97.2 110.4 10.8 21.8 39.1 + 75 86 A Q E + 0 0C 114 23,-2.3 2,-0.4 -2,-0.6 24,-0.2 0.792 68.1 24.6 -84.6 -23.2 13.2 19.3 40.6 + 76 87 A K E -N 98 0C 89 22,-2.1 22,-2.0 2,-0.0 2,-0.5 -0.995 58.5-159.7-154.3 127.3 10.8 17.6 43.0 + 77 88 A I E -N 97 0C 71 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.986 7.1-173.8-113.1 114.4 7.1 17.0 43.3 + 78 89 A V E -N 96 0C 27 18,-3.0 18,-2.6 -2,-0.5 2,-0.3 -0.948 6.6-172.4-110.9 97.6 5.5 16.1 46.6 + 79 90 A V E -N 95 0C 63 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.692 40.7 -92.6 -90.1 133.3 1.8 15.2 46.3 + 80 91 A H > - 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0 0B 4 15,-2.6 2,-0.3 1,-0.3 16,-0.2 0.758 47.0 -19.2 -98.6 -70.9 -9.5 22.9 43.3 + 208 215 A F E - H 0 222B 29 14,-1.3 14,-2.3 -120,-0.1 -1,-0.3 -0.881 38.8-159.4-145.4 164.5 -12.7 22.5 41.3 + 209 216 A V - 0 0 25 -2,-0.3 5,-0.1 12,-0.2 12,-0.1 -0.821 49.1 -63.4-126.1-179.6 -15.8 24.0 39.7 + 210 217 A S B > -R 213 0G 12 3,-0.6 3,-1.4 9,-0.4 9,-0.0 -0.396 33.0-134.7 -75.9 130.8 -19.2 22.6 38.6 + 211 217AA R T 3 S+ 0 0 246 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.797 108.0 65.4 -48.8 -26.8 -19.1 20.2 35.6 + 212 218 A L T 3 S- 0 0 146 1,-0.3 2,-0.2 2,-0.1 -1,-0.2 0.674 124.8 -69.1 -72.1 -15.8 -22.0 22.3 34.4 + 213 219 A G B < -R 210 0G 8 -3,-1.4 -3,-0.6 1,-0.1 -1,-0.3 -0.773 46.2 -82.4 144.1 176.4 -19.6 25.2 34.0 + 214 220 A d S S+ 0 0 1 -2,-0.2 2,-1.2 1,-0.2 -4,-0.3 0.957 111.3 44.5 -80.2 -56.5 -17.5 27.7 35.8 + 215 221 A N S S+ 0 0 49 -36,-0.1 2,-0.5 -33,-0.1 -1,-0.2 -0.763 75.1 154.9 -98.9 76.4 -19.8 30.5 36.8 + 216 221AA V B > -S 219 0H 36 -2,-1.2 3,-2.1 3,-0.5 -37,-0.5 -0.979 48.8-112.0-111.6 119.4 -22.8 28.7 38.1 + 217 222 A T T 3 S+ 0 0 79 -2,-0.5 -39,-0.2 1,-0.3 -40,-0.1 -0.458 104.7 7.8 -48.4 117.0 -25.2 30.3 40.6 + 218 223 A R T 3 S+ 0 0 119 -41,-2.5 -1,-0.3 -2,-0.1 -40,-0.1 0.709 106.5 99.9 76.5 12.5 -24.9 28.4 43.9 + 219 224 A K B < -S 216 0H 45 -3,-2.1 -3,-0.5 -5,-0.1 -9,-0.4 -0.544 60.6-171.7-118.3 72.8 -22.0 26.5 42.7 + 220 225 A P - 0 0 1 0, 0.0 -44,-0.2 0, 0.0 2,-0.1 -0.013 34.3 -89.4 -69.8 151.9 -19.0 28.4 44.2 + 221 226 A T E -F 175 0B 1 -46,-2.1 -46,-1.6 -12,-0.1 2,-0.5 -0.510 43.7-137.5 -62.5 121.8 -15.4 27.8 43.4 + 222 227 A V E -FH 174 208B 0 -14,-2.3 -15,-2.6 -48,-0.2 -14,-1.3 -0.917 22.2-171.1 -94.7 120.3 -14.0 25.2 45.8 + 223 228 A F E -FH 173 206B 0 -50,-2.8 -50,-2.1 -2,-0.5 2,-0.5 -0.858 30.1-109.9-106.1 153.7 -10.6 25.8 47.3 + 224 229 A T E -FH 172 205B 4 -19,-2.4 2,-1.4 -2,-0.3 -19,-0.7 -0.768 38.7-121.6 -87.1 108.9 -8.3 23.6 49.4 + 225 230 A R E > - H 0 204B 30 -54,-1.9 3,-2.5 -2,-0.5 4,-0.3 -0.641 24.6-164.7 -59.4 86.1 -8.3 25.1 52.9 + 226 231 A V G > S+ 0 0 0 -23,-1.4 3,-2.3 -2,-1.4 4,-0.4 0.815 82.1 67.9 -40.7 -32.9 -4.5 25.8 53.3 + 227 232 A S G 3 S+ 0 0 3 -24,-0.4 -109,-2.7 1,-0.3 -1,-0.3 0.594 94.1 58.1 -71.9 -13.5 -5.0 26.2 57.1 + 228 233 A A G < S+ 0 0 44 -3,-2.5 -1,-0.3 -111,-0.2 -2,-0.2 0.511 109.8 42.4 -85.2 -21.4 -5.8 22.5 57.4 + 229 234 A Y S <> S+ 0 0 14 -3,-2.3 4,-2.8 -4,-0.3 -2,-0.2 0.266 75.4 110.8-108.8 -2.3 -2.5 21.4 55.9 + 230 235 A I H > S+ 0 0 21 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.920 80.8 52.1 -41.8 -42.0 -0.1 23.9 57.6 + 231 236 A S H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 111.8 44.9 -62.3 -45.3 1.4 21.0 59.6 + 232 237 A W H > S+ 0 0 37 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.942 109.5 55.7 -67.9 -40.1 2.0 18.9 56.5 + 233 238 A I H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.883 111.3 44.7 -64.3 -33.7 3.5 21.8 54.6 + 234 239 A N H X S+ 0 0 71 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.920 111.2 52.1 -78.7 -38.2 6.0 22.4 57.3 + 235 240 A N H X S+ 0 0 102 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.897 111.5 47.2 -66.5 -37.2 6.9 18.8 57.7 + 236 241 A V H >< S+ 0 0 14 -4,-2.8 3,-0.5 2,-0.2 -2,-0.2 0.938 112.9 47.3 -72.7 -39.7 7.6 18.3 54.0 + 237 242 A I H >< S+ 0 0 22 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.873 113.6 48.4 -75.6 -24.9 9.7 21.5 53.7 + 238 243 A A H 3< S+ 0 0 82 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.780 109.6 50.3 -89.9 -22.3 11.7 20.6 56.7 + 239 244 A S T << 0 0 87 -4,-2.0 -1,-0.3 -3,-0.5 -2,-0.2 0.044 360.0 360.0 -95.3 3.2 12.4 17.0 55.7 + 240 245 A N < 0 0 89 -3,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 -0.112 360.0 360.0-125.9 360.0 13.5 18.4 52.3 diff --git a/data/1est.pdb b/data/1est.pdb new file mode 100644 index 0000000..6e14433 --- /dev/null +++ b/data/1est.pdb @@ -0,0 +1,2414 @@ +HEADER HYDROLASE 17-MAY-76 1EST +TITLE THE ATOMIC STRUCTURE OF CRYSTALLINE PORCINE PANCREATIC ELASTASE AT 2.5 +TITLE 2 ANGSTROMS RESOLUTION. COMPARISONS WITH THE STRUCTURE OF ALPHA- +TITLE 3 CHYMOTRYPSIN +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: PORCINE PANCREATIC ELASTASE; +COMPND 3 CHAIN: A; +COMPND 4 EC: 3.4.21.36; +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; +SOURCE 3 ORGANISM_COMMON: PIG; +SOURCE 4 ORGANISM_TAXID: 9823 +KEYWDS HYDROLASE (SERINE PROTEINASE), HYDROLASE +EXPDTA X-RAY DIFFRACTION +AUTHOR L.SAWYER,D.M.SHOTTON,H.C.WATSON +REVDAT 13 24-AUG-11 1EST 1 HEADER HET HETATM HETNAM +REVDAT 13 2 1 LINK REMARK VERSN +REVDAT 12 24-FEB-09 1EST 1 VERSN +REVDAT 11 01-APR-03 1EST 1 JRNL +REVDAT 10 16-OCT-87 1EST 1 SOURCE JRNL +REVDAT 9 30-SEP-83 1EST 1 REVDAT +REVDAT 8 15-JAN-82 1EST 1 REMARK +REVDAT 7 20-APR-81 1EST 1 HELIX +REVDAT 6 31-DEC-80 1EST 1 REMARK +REVDAT 5 25-MAY-78 1EST 1 JRNL +REVDAT 4 01-NOV-77 1EST 1 COMPND SOURCE AUTHOR REMARK +REVDAT 4 2 1 FORMUL SSBOND +REVDAT 3 13-JUN-77 1EST 1 HET +REVDAT 2 03-JAN-77 1EST 2 CONECT +REVDAT 1 27-MAY-76 1EST 0 +JRNL AUTH L.SAWYER,D.M.SHOTTON,J.W.CAMPBELL,P.L.WENDELL,H.MUIRHEAD, +JRNL AUTH 2 H.C.WATSON,R.DIAMOND,R.C.LADNER +JRNL TITL THE ATOMIC STRUCTURE OF CRYSTALLINE PORCINE PANCREATIC +JRNL TITL 2 ELASTASE AT 2.5 A RESOLUTION: COMPARISONS WITH THE STRUCTURE +JRNL TITL 3 OF ALPHA-CHYMOTRYPSIN. +JRNL REF J.MOL.BIOL. V. 118 137 1978 +JRNL REFN ISSN 0022-2836 +JRNL PMID 628010 +JRNL DOI 10.1016/0022-2836(78)90412-6 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH L.SAWYER,D.M.SHOTTON,H.C.WATSON +REMARK 1 TITL ATOMIC COORDINATES FOR TOSYL-ELASTASE +REMARK 1 REF BIOCHEM.BIOPHYS.RES.COMMUN. V. 53 944 1973 +REMARK 1 REFN ISSN 0006-291X +REMARK 1 REFERENCE 2 +REMARK 1 AUTH D.M.SHOTTON,B.S.HARTLEY +REMARK 1 TITL AMINO-ACID SEQUENCE OF PORCINE PANCREATIC ELASTASE AND ITS +REMARK 1 TITL 2 HOMOLOGIES WITH OTHER SERINE PROTEINASES +REMARK 1 REF NATURE V. 225 802 1970 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 REFERENCE 3 +REMARK 1 AUTH H.C.WATSON,D.M.SHOTTON,J.M.COX,H.MUIRHEAD +REMARK 1 TITL THREE-DIMENSIONAL FOURIER SYNTHESIS OF TOSYL-ELASTASE AT 3.5 +REMARK 1 TITL 2 ANGSTROMS RESOLUTION +REMARK 1 REF NATURE V. 225 806 1970 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 REFERENCE 4 +REMARK 1 AUTH D.M.SHOTTON,H.C.WATSON +REMARK 1 TITL THREE DIMENSIONAL STRUCTURE OF TOSYL-ELASTASE +REMARK 1 REF NATURE V. 225 811 1970 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 REFERENCE 5 +REMARK 1 EDIT R.J.FELDMANN +REMARK 1 REF ATLAS OF MACROMOLECULAR 233 1976 +REMARK 1 REF 2 STRUCTURE ON MICROFICHE +REMARK 1 PUBL TRACOR JITCO,INC.,ROCKVILLE,MD. +REMARK 1 REFN +REMARK 1 REFERENCE 6 +REMARK 1 EDIT M.O.DAYHOFF +REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 96 1976 +REMARK 1 REF 2 AND STRUCTURE,SUPPLEMENT 2 +REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD. +REMARK 1 REFN ISSN 0-912466-05-7 +REMARK 2 +REMARK 2 RESOLUTION. 2.50 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : NULL +REMARK 3 AUTHORS : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : NULL +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING SET) : NULL +REMARK 3 FREE R VALUE : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1822 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 11 +REMARK 3 SOLVENT ATOMS : 25 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : NULL +REMARK 3 BOND ANGLES (DEGREES) : NULL +REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL +REMARK 3 IMPROPER ANGLES (DEGREES) : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: +REMARK 3 COORDINATES FOR THE 27 WATER MOLECULES AND 1 SULPHATE ION +REMARK 3 WERE TAKEN FROM THE ARTICLE CITED AS REFERENCE 1. +REMARK 4 +REMARK 4 1EST COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : NULL +REMARK 200 RADIATION SOURCE : NULL +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : NULL +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : NULL +REMARK 200 DETECTOR MANUFACTURER : NULL +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL +REMARK 200 RESOLUTION RANGE HIGH (A) : NULL +REMARK 200 RESOLUTION RANGE LOW (A) : NULL +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : NULL +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 43.42 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.17 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 25.75000 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 37.75000 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 37.75000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.75000 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 OG SER A 195 S TSU A 247 1.45 +REMARK 500 O GLN A 75 O HOH A 272 1.92 +REMARK 500 OD1 ASN A 77 O HOH A 272 2.07 +REMARK 500 O ASN A 72 O HOH A 272 2.10 +REMARK 500 O HOH A 266 O HOH A 267 2.18 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION +REMARK 500 TRP A 27 NE1 TRP A 27 CE2 -0.096 +REMARK 500 TRP A 38 NE1 TRP A 38 CE2 -0.096 +REMARK 500 TRP A 51 NE1 TRP A 51 CE2 -0.096 +REMARK 500 TRP A 94 NE1 TRP A 94 CE2 -0.096 +REMARK 500 TRP A 141 NE1 TRP A 141 CE2 -0.095 +REMARK 500 TRP A 172 NE1 TRP A 172 CE2 -0.097 +REMARK 500 TRP A 237 NE1 TRP A 237 CE2 -0.096 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ARG A 24 -47.16 -25.92 +REMARK 500 GLU A 62 79.88 -59.54 +REMARK 500 HIS A 71 -53.19 -139.06 +REMARK 500 ASN A 76 105.70 -59.25 +REMARK 500 PRO A 92 -18.69 -43.13 +REMARK 500 THR A 96 -39.57 -36.52 +REMARK 500 TYR A 101 24.49 48.03 +REMARK 500 ASN A 115 -159.95 -139.22 +REMARK 500 ASN A 133 8.79 85.71 +REMARK 500 ASP A 164 171.31 -58.49 +REMARK 500 TYR A 171 -112.76 -109.43 +REMARK 500 GLN A 192 107.73 -42.07 +REMARK 500 SER A 195 139.16 -38.08 +REMARK 500 THR A 213 107.51 -38.46 +REMARK 500 SER A 214 -70.91 -98.61 +REMARK 500 LYS A 224 72.81 -118.26 +REMARK 500 ARG A 230 86.08 -59.39 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS +REMARK 500 +REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH +REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED +REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND +REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. +REMARK 500 MODEL OMEGA +REMARK 500 GLY A 197 PRO A 198 -147.45 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL +REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE +REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN +REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS +REMARK 500 AN RMSD GREATER THAN THIS VALUE +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 TYR A 35 0.12 SIDE CHAIN +REMARK 500 ASN A 77 0.08 SIDE CHAIN +REMARK 500 TYR A 82 0.07 SIDE CHAIN +REMARK 500 TYR A 93 0.12 SIDE CHAIN +REMARK 500 ASN A 115 0.07 SIDE CHAIN +REMARK 500 TYR A 117 0.07 SIDE CHAIN +REMARK 500 TYR A 171 0.07 SIDE CHAIN +REMARK 500 ASN A 245 0.08 SIDE CHAIN +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY +REMARK 500 +REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY +REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER +REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 500 I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI ANGLE +REMARK 500 GLU A 21 11.54 +REMARK 500 GLN A 23 14.85 +REMARK 500 LEU A 33 12.94 +REMARK 500 ARG A 36 12.22 +REMARK 500 SER A 36A 12.84 +REMARK 500 HIS A 40 11.42 +REMARK 500 CYS A 42 -11.23 +REMARK 500 LEU A 46 10.16 +REMARK 500 GLN A 49 -10.69 +REMARK 500 THR A 54 10.93 +REMARK 500 HIS A 57 -14.21 +REMARK 500 ARG A 61 12.34 +REMARK 500 THR A 64 10.42 +REMARK 500 ARG A 65A 10.76 +REMARK 500 VAL A 66 12.74 +REMARK 500 VAL A 68 10.15 +REMARK 500 GLY A 69 11.41 +REMARK 500 ASN A 72 12.10 +REMARK 500 GLU A 80 11.93 +REMARK 500 VAL A 90 12.92 +REMARK 500 HIS A 91 10.46 +REMARK 500 TRP A 94 15.11 +REMARK 500 ASN A 95 12.12 +REMARK 500 VAL A 99 -12.42 +REMARK 500 ALA A 99A -10.44 +REMARK 500 GLY A 100 -10.13 +REMARK 500 ILE A 103 11.90 +REMARK 500 ARG A 107 13.15 +REMARK 500 THR A 113 10.88 +REMARK 500 LEU A 114 12.06 +REMARK 500 SER A 116 -10.09 +REMARK 500 VAL A 118 11.28 +REMARK 500 GLY A 121 11.63 +REMARK 500 VAL A 122 11.85 +REMARK 500 ARG A 125 12.80 +REMARK 500 ALA A 126 11.24 +REMARK 500 ASN A 132 12.19 +REMARK 500 ILE A 138 13.39 +REMARK 500 TRP A 141 -10.08 +REMARK 500 THR A 147 11.77 +REMARK 500 ALA A 152 12.17 +REMARK 500 LEU A 155 13.06 +REMARK 500 TYR A 159 12.42 +REMARK 500 VAL A 163 10.50 +REMARK 500 ASP A 164 -11.62 +REMARK 500 TYR A 165 -13.20 +REMARK 500 ALA A 166 -15.64 +REMARK 500 ILE A 167 -11.58 +REMARK 500 CYS A 168 -11.77 +REMARK 500 SER A 170 11.55 +REMARK 500 +REMARK 500 THIS ENTRY HAS 78 MAIN CHAIN PLANARITY DEVIATIONS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 610 +REMARK 610 MISSING HETEROATOM +REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 610 I=INSERTION CODE): +REMARK 610 M RES C SSEQI +REMARK 610 SO4 A 246 +REMARK 610 TSU A 247 +REMARK 700 +REMARK 700 SHEET +REMARK 700 THE TWO SEVEN STRANDED SHEETS IN THIS STRUCTURE ARE REALLY +REMARK 700 SIX STRANDED BETA BARRELS - THIS IS DENOTED BY THE FIRST +REMARK 700 STRAND RECURRING AS THE LAST STRAND. +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: CAT +REMARK 800 EVIDENCE_CODE: UNKNOWN +REMARK 800 SITE_DESCRIPTION: NULL +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 246 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TOS A 247 +DBREF 1EST A 16 245 UNP P00772 ELA1_PIG 27 266 +SEQADV 1EST ASN A 77 UNP P00772 ASP 92 CONFLICT +SEQRES 1 A 240 VAL VAL GLY GLY THR GLU ALA GLN ARG ASN SER TRP PRO +SEQRES 2 A 240 SER GLN ILE SER LEU GLN TYR ARG SER GLY SER SER TRP +SEQRES 3 A 240 ALA HIS THR CYS GLY GLY THR LEU ILE ARG GLN ASN TRP +SEQRES 4 A 240 VAL MET THR ALA ALA HIS CYS VAL ASP ARG GLU LEU THR +SEQRES 5 A 240 PHE ARG VAL VAL VAL GLY GLU HIS ASN LEU ASN GLN ASN +SEQRES 6 A 240 ASN GLY THR GLU GLN TYR VAL GLY VAL GLN LYS ILE VAL +SEQRES 7 A 240 VAL HIS PRO TYR TRP ASN THR ASP ASP VAL ALA ALA GLY +SEQRES 8 A 240 TYR ASP ILE ALA LEU LEU ARG LEU ALA GLN SER VAL THR +SEQRES 9 A 240 LEU ASN SER TYR VAL GLN LEU GLY VAL LEU PRO ARG ALA +SEQRES 10 A 240 GLY THR ILE LEU ALA ASN ASN SER PRO CYS TYR ILE THR +SEQRES 11 A 240 GLY TRP GLY LEU THR ARG THR ASN GLY GLN LEU ALA GLN +SEQRES 12 A 240 THR LEU GLN GLN ALA TYR LEU PRO THR VAL ASP TYR ALA +SEQRES 13 A 240 ILE CYS SER SER SER SER TYR TRP GLY SER THR VAL LYS +SEQRES 14 A 240 ASN SER MET VAL CYS ALA GLY GLY ASP GLY VAL ARG SER +SEQRES 15 A 240 GLY CYS GLN GLY ASP SER GLY GLY PRO LEU HIS CYS LEU +SEQRES 16 A 240 VAL ASN GLY GLN TYR ALA VAL HIS GLY VAL THR SER PHE +SEQRES 17 A 240 VAL SER ARG LEU GLY CYS ASN VAL THR ARG LYS PRO THR +SEQRES 18 A 240 VAL PHE THR ARG VAL SER ALA TYR ILE SER TRP ILE ASN +SEQRES 19 A 240 ASN VAL ILE ALA SER ASN +HET SO4 A 246 1 +HET TSU A 247 10 +HETNAM SO4 SULFATE ION +HETNAM TSU PARA-TOLUENE SULFONATE +FORMUL 2 SO4 O4 S 2- +FORMUL 3 TSU C7 H8 O3 S +FORMUL 4 HOH *25(H2 O) +HELIX 1 HA ASP A 164 SER A 170 1 7 +HELIX 2 HB TYR A 234 ASN A 245 1HELICAL TAIL AT CARBOXY END 12 +SHEET 1 A 7 SER A 29 SER A 36A 0 +SHEET 2 A 7 SER A 37 ILE A 47 -1 +SHEET 3 A 7 ASN A 50 ALA A 56 -1 +SHEET 4 A 7 ASP A 102 GLN A 110 -1 +SHEET 5 A 7 GLU A 80 HIS A 91 -1 +SHEET 6 A 7 PHE A 65 GLY A 69 -1 +SHEET 7 A 7 SER A 29 SER A 36A-1 +SHEET 1 B 7 ASN A 133 THR A 144 0 +SHEET 2 B 7 GLY A 149 VAL A 163 -1 +SHEET 3 B 7 SER A 179 VAL A 188 -1 +SHEET 4 B 7 ASN A 221 VAL A 231 -1 +SHEET 5 B 7 HIS A 210 VAL A 216 -1 +SHEET 6 B 7 SER A 195 CYS A 201 -1 +SHEET 7 B 7 ASN A 133 THR A 144 -1 +SHEET 1 C 3 GLY A 149 ALA A 152 0 +SHEET 2 C 3 TRP A 141 LEU A 143 -1 +SHEET 3 C 3 GLN A 192 ASP A 194 -1 +SSBOND 1 CYS A 42 CYS A 58 1555 1555 2.03 +SSBOND 2 CYS A 136 CYS A 201 1555 1555 2.04 +SSBOND 3 CYS A 168 CYS A 182 1555 1555 2.03 +SSBOND 4 CYS A 191 CYS A 220 1555 1555 2.03 +SITE 1 CAT 3 HIS A 57 ASP A 102 SER A 195 +SITE 1 AC1 1 ARG A 230 +SITE 1 AC2 5 CYS A 191 GLN A 192 GLY A 193 SER A 195 +SITE 2 AC2 5 SER A 214 +CRYST1 51.500 58.000 75.500 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.019417 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.017241 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.013245 0.00000 +ATOM 1 N VAL A 16 -10.259 32.951 35.052 1.00 0.00 N +ATOM 2 CA VAL A 16 -11.137 33.755 35.924 1.00 0.00 C +ATOM 3 C VAL A 16 -12.287 34.427 35.174 1.00 0.00 C +ATOM 4 O VAL A 16 -12.049 35.172 34.215 1.00 0.00 O +ATOM 5 CB VAL A 16 -10.330 34.815 36.679 1.00 0.00 C +ATOM 6 CG1 VAL A 16 -11.217 35.815 37.418 1.00 0.00 C +ATOM 7 CG2 VAL A 16 -9.287 34.204 37.610 1.00 0.00 C +ATOM 8 N VAL A 17 -13.481 33.908 35.414 1.00 0.00 N +ATOM 9 CA VAL A 17 -14.699 34.440 34.794 1.00 0.00 C +ATOM 10 C VAL A 17 -15.260 35.626 35.578 1.00 0.00 C +ATOM 11 O VAL A 17 -15.222 35.610 36.815 1.00 0.00 O +ATOM 12 CB VAL A 17 -15.762 33.344 34.723 1.00 0.00 C +ATOM 13 CG1 VAL A 17 -17.005 33.814 33.973 1.00 0.00 C +ATOM 14 CG2 VAL A 17 -15.212 32.055 34.119 1.00 0.00 C +ATOM 15 N GLY A 18 -15.443 36.724 34.861 1.00 0.00 N +ATOM 16 CA GLY A 18 -16.037 37.948 35.413 1.00 0.00 C +ATOM 17 C GLY A 18 -15.026 38.773 36.201 1.00 0.00 C +ATOM 18 O GLY A 18 -15.376 39.402 37.208 1.00 0.00 O +ATOM 19 N GLY A 19 -13.769 38.571 35.852 1.00 0.00 N +ATOM 20 CA GLY A 19 -12.655 39.253 36.520 1.00 0.00 C +ATOM 21 C GLY A 19 -12.114 40.455 35.749 1.00 0.00 C +ATOM 22 O GLY A 19 -12.694 40.856 34.732 1.00 0.00 O +ATOM 23 N THR A 20 -11.258 41.186 36.443 1.00 0.00 N +ATOM 24 CA THR A 20 -10.574 42.377 35.920 1.00 0.00 C +ATOM 25 C THR A 20 -9.071 42.141 35.834 1.00 0.00 C +ATOM 26 O THR A 20 -8.543 41.280 36.544 1.00 0.00 O +ATOM 27 CB THR A 20 -10.786 43.548 36.874 1.00 0.00 C +ATOM 28 OG1 THR A 20 -10.138 43.250 38.107 1.00 0.00 O +ATOM 29 CG2 THR A 20 -12.263 43.850 37.119 1.00 0.00 C +ATOM 30 N GLU A 21 -8.392 43.011 35.118 1.00 0.00 N +ATOM 31 CA GLU A 21 -6.935 42.915 35.001 1.00 0.00 C +ATOM 32 C GLU A 21 -6.232 43.483 36.230 1.00 0.00 C +ATOM 33 O GLU A 21 -6.739 44.437 36.834 1.00 0.00 O +ATOM 34 CB GLU A 21 -6.452 43.624 33.735 1.00 0.00 C +ATOM 35 CG GLU A 21 -4.946 43.473 33.523 1.00 0.00 C +ATOM 36 CD GLU A 21 -4.544 44.110 32.197 1.00 0.00 C +ATOM 37 OE1 GLU A 21 -3.364 44.438 32.021 1.00 0.00 O +ATOM 38 OE2 GLU A 21 -5.359 44.116 31.265 1.00 0.00 O +ATOM 39 N ALA A 22 -5.390 42.636 36.799 1.00 0.00 N +ATOM 40 CA ALA A 22 -4.582 42.981 37.976 1.00 0.00 C +ATOM 41 C ALA A 22 -3.391 43.878 37.645 1.00 0.00 C +ATOM 42 O ALA A 22 -3.167 44.215 36.476 1.00 0.00 O +ATOM 43 CB ALA A 22 -4.068 41.701 38.631 1.00 0.00 C +ATOM 44 N GLN A 23 -2.879 44.510 38.687 1.00 0.00 N +ATOM 45 CA GLN A 23 -1.679 45.347 38.576 1.00 0.00 C +ATOM 46 C GLN A 23 -0.441 44.522 38.914 1.00 0.00 C +ATOM 47 O GLN A 23 -0.596 43.516 39.619 1.00 0.00 O +ATOM 48 CB GLN A 23 -1.783 46.525 39.539 1.00 0.00 C +ATOM 49 CG GLN A 23 -3.090 47.296 39.372 1.00 0.00 C +ATOM 50 CD GLN A 23 -3.235 48.278 40.530 1.00 0.00 C +ATOM 51 OE1 GLN A 23 -2.506 48.158 41.523 1.00 0.00 O +ATOM 52 NE2 GLN A 23 -4.377 48.949 40.540 1.00 0.00 N +ATOM 53 N ARG A 24 0.505 44.620 37.993 1.00 0.00 N +ATOM 54 CA ARG A 24 1.801 43.917 38.007 1.00 0.00 C +ATOM 55 C ARG A 24 2.325 43.520 39.384 1.00 0.00 C +ATOM 56 O ARG A 24 2.640 42.348 39.625 1.00 0.00 O +ATOM 57 CB ARG A 24 2.871 44.754 37.315 1.00 0.00 C +ATOM 58 CG ARG A 24 2.542 45.005 35.849 1.00 0.00 C +ATOM 59 CD ARG A 24 3.725 45.613 35.101 1.00 0.00 C +ATOM 60 NE ARG A 24 3.387 45.759 33.679 1.00 0.00 N +ATOM 61 CZ ARG A 24 3.728 44.873 32.754 1.00 0.00 C +ATOM 62 NH1 ARG A 24 3.381 45.074 31.493 1.00 0.00 N +ATOM 63 NH2 ARG A 24 4.480 43.829 33.071 1.00 0.00 N +ATOM 64 N ASN A 25 2.272 44.472 40.288 1.00 0.00 N +ATOM 65 CA ASN A 25 2.844 44.312 41.628 1.00 0.00 C +ATOM 66 C ASN A 25 1.838 43.861 42.681 1.00 0.00 C +ATOM 67 O ASN A 25 2.178 43.817 43.870 1.00 0.00 O +ATOM 68 CB ASN A 25 3.524 45.606 42.077 1.00 0.00 C +ATOM 69 CG ASN A 25 2.528 46.763 42.179 1.00 0.00 C +ATOM 70 OD1 ASN A 25 1.429 46.720 41.609 1.00 0.00 O +ATOM 71 ND2 ASN A 25 3.067 47.887 42.623 1.00 0.00 N +ATOM 72 N SER A 26 0.582 43.847 42.266 1.00 0.00 N +ATOM 73 CA SER A 26 -0.518 43.480 43.173 1.00 0.00 C +ATOM 74 C SER A 26 -0.368 42.129 43.863 1.00 0.00 C +ATOM 75 O SER A 26 -0.370 42.071 45.099 1.00 0.00 O +ATOM 76 CB SER A 26 -1.882 43.549 42.494 1.00 0.00 C +ATOM 77 OG SER A 26 -2.162 44.895 42.138 1.00 0.00 O +ATOM 78 N TRP A 27 -0.248 41.075 43.071 1.00 0.00 N +ATOM 79 CA TRP A 27 -0.233 39.708 43.628 1.00 0.00 C +ATOM 80 C TRP A 27 1.037 38.911 43.317 1.00 0.00 C +ATOM 81 O TRP A 27 0.990 37.980 42.504 1.00 0.00 O +ATOM 82 CB TRP A 27 -1.440 38.922 43.101 1.00 0.00 C +ATOM 83 CG TRP A 27 -2.766 39.699 43.206 1.00 0.00 C +ATOM 84 CD1 TRP A 27 -3.503 40.259 42.222 1.00 0.00 C +ATOM 85 CD2 TRP A 27 -3.466 39.982 44.381 1.00 0.00 C +ATOM 86 NE1 TRP A 27 -4.637 40.852 42.742 1.00 0.00 N +ATOM 87 CE2 TRP A 27 -4.636 40.690 44.007 1.00 0.00 C +ATOM 88 CE3 TRP A 27 -3.197 39.675 45.706 1.00 0.00 C +ATOM 89 CZ2 TRP A 27 -5.610 41.078 44.912 1.00 0.00 C +ATOM 90 CZ3 TRP A 27 -4.164 40.093 46.631 1.00 0.00 C +ATOM 91 CH2 TRP A 27 -5.333 40.764 46.248 1.00 0.00 C +ATOM 92 N PRO A 28 2.105 39.137 44.072 1.00 0.00 N +ATOM 93 CA PRO A 28 3.462 38.827 43.585 1.00 0.00 C +ATOM 94 C PRO A 28 3.951 37.452 44.037 1.00 0.00 C +ATOM 95 O PRO A 28 5.091 37.072 43.744 1.00 0.00 O +ATOM 96 CB PRO A 28 4.352 39.918 44.167 1.00 0.00 C +ATOM 97 CG PRO A 28 3.678 40.282 45.474 1.00 0.00 C +ATOM 98 CD PRO A 28 2.191 40.100 45.194 1.00 0.00 C +ATOM 99 N SER A 29 3.007 36.647 44.490 1.00 0.00 N +ATOM 100 CA SER A 29 3.290 35.270 44.914 1.00 0.00 C +ATOM 101 C SER A 29 2.720 34.280 43.905 1.00 0.00 C +ATOM 102 O SER A 29 2.803 33.062 44.106 1.00 0.00 O +ATOM 103 CB SER A 29 2.677 35.000 46.283 1.00 0.00 C +ATOM 104 OG SER A 29 1.261 35.078 46.174 1.00 0.00 O +ATOM 105 N GLN A 30 1.878 34.847 43.056 1.00 0.00 N +ATOM 106 CA GLN A 30 1.218 34.136 41.952 1.00 0.00 C +ATOM 107 C GLN A 30 2.220 33.621 40.921 1.00 0.00 C +ATOM 108 O GLN A 30 3.148 34.352 40.554 1.00 0.00 O +ATOM 109 CB GLN A 30 0.244 35.098 41.267 1.00 0.00 C +ATOM 110 CG GLN A 30 -0.429 34.532 40.014 1.00 0.00 C +ATOM 111 CD GLN A 30 -1.427 33.438 40.381 1.00 0.00 C +ATOM 112 OE1 GLN A 30 -2.577 33.754 40.712 1.00 0.00 O +ATOM 113 NE2 GLN A 30 -1.104 32.238 39.921 1.00 0.00 N +ATOM 114 N ILE A 31 2.221 32.305 40.748 1.00 0.00 N +ATOM 115 CA ILE A 31 3.075 31.681 39.725 1.00 0.00 C +ATOM 116 C ILE A 31 2.292 30.995 38.608 1.00 0.00 C +ATOM 117 O ILE A 31 1.109 30.671 38.776 1.00 0.00 O +ATOM 118 CB ILE A 31 4.122 30.740 40.341 1.00 0.00 C +ATOM 119 CG1 ILE A 31 3.571 29.438 40.928 1.00 0.00 C +ATOM 120 CG2 ILE A 31 4.985 31.461 41.370 1.00 0.00 C +ATOM 121 CD1 ILE A 31 3.559 28.258 39.953 1.00 0.00 C +ATOM 122 N SER A 32 2.969 30.831 37.482 1.00 0.00 N +ATOM 123 CA SER A 32 2.433 30.097 36.330 1.00 0.00 C +ATOM 124 C SER A 32 3.102 28.739 36.138 1.00 0.00 C +ATOM 125 O SER A 32 4.335 28.663 36.069 1.00 0.00 O +ATOM 126 CB SER A 32 2.597 30.905 35.049 1.00 0.00 C +ATOM 127 OG SER A 32 2.185 30.090 33.955 1.00 0.00 O +ATOM 128 N LEU A 33 2.315 27.710 36.387 1.00 0.00 N +ATOM 129 CA LEU A 33 2.749 26.318 36.213 1.00 0.00 C +ATOM 130 C LEU A 33 2.512 25.861 34.778 1.00 0.00 C +ATOM 131 O LEU A 33 1.385 25.991 34.280 1.00 0.00 O +ATOM 132 CB LEU A 33 1.993 25.403 37.177 1.00 0.00 C +ATOM 133 CG LEU A 33 2.471 23.953 37.115 1.00 0.00 C +ATOM 134 CD1 LEU A 33 3.951 23.827 37.474 1.00 0.00 C +ATOM 135 CD2 LEU A 33 1.605 23.034 37.974 1.00 0.00 C +ATOM 136 N GLN A 34 3.622 25.845 34.056 1.00 0.00 N +ATOM 137 CA GLN A 34 3.644 25.487 32.634 1.00 0.00 C +ATOM 138 C GLN A 34 4.269 24.125 32.346 1.00 0.00 C +ATOM 139 O GLN A 34 5.120 23.668 33.115 1.00 0.00 O +ATOM 140 CB GLN A 34 4.409 26.561 31.866 1.00 0.00 C +ATOM 141 CG GLN A 34 3.772 27.932 32.068 1.00 0.00 C +ATOM 142 CD GLN A 34 4.553 28.999 31.308 1.00 0.00 C +ATOM 143 OE1 GLN A 34 5.676 28.747 30.855 1.00 0.00 O +ATOM 144 NE2 GLN A 34 4.030 30.214 31.373 1.00 0.00 N +ATOM 145 N TYR A 35 3.686 23.426 31.378 1.00 0.00 N +ATOM 146 CA TYR A 35 4.229 22.144 30.897 1.00 0.00 C +ATOM 147 C TYR A 35 4.737 22.223 29.458 1.00 0.00 C +ATOM 148 O TYR A 35 4.328 23.120 28.709 1.00 0.00 O +ATOM 149 CB TYR A 35 3.283 20.951 31.104 1.00 0.00 C +ATOM 150 CG TYR A 35 2.055 20.947 30.176 1.00 0.00 C +ATOM 151 CD1 TYR A 35 0.923 21.666 30.518 1.00 0.00 C +ATOM 152 CD2 TYR A 35 2.058 20.178 29.022 1.00 0.00 C +ATOM 153 CE1 TYR A 35 -0.198 21.663 29.679 1.00 0.00 C +ATOM 154 CE2 TYR A 35 0.942 20.168 28.177 1.00 0.00 C +ATOM 155 CZ TYR A 35 -0.187 20.917 28.503 1.00 0.00 C +ATOM 156 OH TYR A 35 -1.064 21.265 27.496 1.00 0.00 O +ATOM 157 N ARG A 36 5.835 21.527 29.216 1.00 0.00 N +ATOM 158 CA ARG A 36 6.459 21.579 27.889 1.00 0.00 C +ATOM 159 C ARG A 36 5.694 20.809 26.819 1.00 0.00 C +ATOM 160 O ARG A 36 5.580 19.580 26.904 1.00 0.00 O +ATOM 161 CB ARG A 36 7.934 21.187 27.899 1.00 0.00 C +ATOM 162 CG ARG A 36 8.508 21.235 26.483 1.00 0.00 C +ATOM 163 CD ARG A 36 10.011 20.975 26.431 1.00 0.00 C +ATOM 164 NE ARG A 36 10.720 22.210 26.064 1.00 0.00 N +ATOM 165 CZ ARG A 36 11.865 22.583 26.617 1.00 0.00 C +ATOM 166 NH1 ARG A 36 12.449 23.705 26.225 1.00 0.00 N +ATOM 167 NH2 ARG A 36 12.546 21.719 27.355 1.00 0.00 N +ATOM 168 N SER A 36A 4.832 21.573 26.178 1.00 0.00 N +ATOM 169 CA SER A 36A 4.005 21.065 25.083 1.00 0.00 C +ATOM 170 C SER A 36A 4.752 21.029 23.753 1.00 0.00 C +ATOM 171 O SER A 36A 4.766 22.045 23.043 1.00 0.00 O +ATOM 172 CB SER A 36A 2.740 21.901 24.940 1.00 0.00 C +ATOM 173 OG SER A 36A 1.970 21.372 23.866 1.00 0.00 O +ATOM 174 N GLY A 36B 5.703 20.110 23.741 1.00 0.00 N +ATOM 175 CA GLY A 36B 6.506 19.772 22.558 1.00 0.00 C +ATOM 176 C GLY A 36B 7.607 20.781 22.246 1.00 0.00 C +ATOM 177 O GLY A 36B 8.660 20.765 22.895 1.00 0.00 O +ATOM 178 N SER A 36C 7.186 21.827 21.563 1.00 0.00 N +ATOM 179 CA SER A 36C 8.085 22.881 21.083 1.00 0.00 C +ATOM 180 C SER A 36C 8.212 24.020 22.084 1.00 0.00 C +ATOM 181 O SER A 36C 9.202 24.761 22.064 1.00 0.00 O +ATOM 182 CB SER A 36C 7.527 23.454 19.785 1.00 0.00 C +ATOM 183 OG SER A 36C 7.338 22.397 18.852 1.00 0.00 O +ATOM 184 N SER A 37 7.072 24.332 22.661 1.00 0.00 N +ATOM 185 CA SER A 37 6.960 25.450 23.600 1.00 0.00 C +ATOM 186 C SER A 37 6.357 25.036 24.935 1.00 0.00 C +ATOM 187 O SER A 37 6.181 23.842 25.200 1.00 0.00 O +ATOM 188 CB SER A 37 6.098 26.544 22.983 1.00 0.00 C +ATOM 189 OG SER A 37 4.817 25.996 22.698 1.00 0.00 O +ATOM 190 N TRP A 38 6.144 26.035 25.768 1.00 0.00 N +ATOM 191 CA TRP A 38 5.584 25.859 27.110 1.00 0.00 C +ATOM 192 C TRP A 38 4.155 26.389 27.202 1.00 0.00 C +ATOM 193 O TRP A 38 3.827 27.413 26.590 1.00 0.00 O +ATOM 194 CB TRP A 38 6.456 26.570 28.143 1.00 0.00 C +ATOM 195 CG TRP A 38 7.869 25.968 28.240 1.00 0.00 C +ATOM 196 CD1 TRP A 38 8.980 26.241 27.521 1.00 0.00 C +ATOM 197 CD2 TRP A 38 8.267 24.995 29.156 1.00 0.00 C +ATOM 198 NE1 TRP A 38 10.041 25.479 27.966 1.00 0.00 N +ATOM 199 CE2 TRP A 38 9.643 24.750 28.933 1.00 0.00 C +ATOM 200 CE3 TRP A 38 7.565 24.341 30.153 1.00 0.00 C +ATOM 201 CZ2 TRP A 38 10.389 23.870 29.699 1.00 0.00 C +ATOM 202 CZ3 TRP A 38 8.310 23.433 30.917 1.00 0.00 C +ATOM 203 CH2 TRP A 38 9.675 23.206 30.701 1.00 0.00 C +ATOM 204 N ALA A 39 3.310 25.601 27.842 1.00 0.00 N +ATOM 205 CA ALA A 39 1.883 25.915 27.986 1.00 0.00 C +ATOM 206 C ALA A 39 1.431 26.037 29.439 1.00 0.00 C +ATOM 207 O ALA A 39 1.617 25.101 30.225 1.00 0.00 O +ATOM 208 CB ALA A 39 1.052 24.836 27.296 1.00 0.00 C +ATOM 209 N HIS A 40 0.663 27.083 29.695 1.00 0.00 N +ATOM 210 CA HIS A 40 0.070 27.343 31.014 1.00 0.00 C +ATOM 211 C HIS A 40 -1.026 26.338 31.351 1.00 0.00 C +ATOM 212 O HIS A 40 -1.852 26.031 30.481 1.00 0.00 O +ATOM 213 CB HIS A 40 -0.523 28.753 31.040 1.00 0.00 C +ATOM 214 CG HIS A 40 -1.312 29.021 32.333 1.00 0.00 C +ATOM 215 ND1 HIS A 40 -0.690 29.269 33.523 1.00 0.00 N +ATOM 216 CD2 HIS A 40 -2.644 29.042 32.541 1.00 0.00 C +ATOM 217 CE1 HIS A 40 -1.659 29.468 34.465 1.00 0.00 C +ATOM 218 NE2 HIS A 40 -2.872 29.316 33.860 1.00 0.00 N +ATOM 219 N THR A 41 -0.765 25.554 32.380 1.00 0.00 N +ATOM 220 CA THR A 41 -1.780 24.597 32.828 1.00 0.00 C +ATOM 221 C THR A 41 -2.477 24.979 34.129 1.00 0.00 C +ATOM 222 O THR A 41 -3.704 24.861 34.230 1.00 0.00 O +ATOM 223 CB THR A 41 -1.264 23.160 32.891 1.00 0.00 C +ATOM 224 OG1 THR A 41 -2.327 22.319 33.323 1.00 0.00 O +ATOM 225 CG2 THR A 41 -0.062 22.970 33.817 1.00 0.00 C +ATOM 226 N CYS A 42 -1.714 25.560 35.036 1.00 0.00 N +ATOM 227 CA CYS A 42 -2.213 25.905 36.371 1.00 0.00 C +ATOM 228 C CYS A 42 -1.579 27.147 36.984 1.00 0.00 C +ATOM 229 O CYS A 42 -0.434 27.481 36.666 1.00 0.00 O +ATOM 230 CB CYS A 42 -1.992 24.744 37.338 1.00 0.00 C +ATOM 231 SG CYS A 42 -3.165 23.375 37.244 1.00 0.00 S +ATOM 232 N GLY A 43 -2.148 27.496 38.122 1.00 0.00 N +ATOM 233 CA GLY A 43 -1.626 28.552 38.990 1.00 0.00 C +ATOM 234 C GLY A 43 -0.828 27.945 40.142 1.00 0.00 C +ATOM 235 O GLY A 43 -0.874 26.725 40.347 1.00 0.00 O +ATOM 236 N GLY A 44 -0.319 28.809 41.000 1.00 0.00 N +ATOM 237 CA GLY A 44 0.466 28.381 42.164 1.00 0.00 C +ATOM 238 C GLY A 44 0.856 29.536 43.082 1.00 0.00 C +ATOM 239 O GLY A 44 0.663 30.708 42.735 1.00 0.00 O +ATOM 240 N THR A 45 1.441 29.175 44.216 1.00 0.00 N +ATOM 241 CA THR A 45 1.868 30.147 45.230 1.00 0.00 C +ATOM 242 C THR A 45 3.272 29.901 45.778 1.00 0.00 C +ATOM 243 O THR A 45 3.557 28.820 46.307 1.00 0.00 O +ATOM 244 CB THR A 45 0.863 30.184 46.377 1.00 0.00 C +ATOM 245 OG1 THR A 45 -0.439 30.392 45.844 1.00 0.00 O +ATOM 246 CG2 THR A 45 1.179 31.282 47.391 1.00 0.00 C +ATOM 247 N LEU A 46 4.162 30.811 45.422 1.00 0.00 N +ATOM 248 CA LEU A 46 5.549 30.797 45.901 1.00 0.00 C +ATOM 249 C LEU A 46 5.588 30.998 47.415 1.00 0.00 C +ATOM 250 O LEU A 46 5.048 32.000 47.896 1.00 0.00 O +ATOM 251 CB LEU A 46 6.294 31.962 45.255 1.00 0.00 C +ATOM 252 CG LEU A 46 7.803 31.876 45.465 1.00 0.00 C +ATOM 253 CD1 LEU A 46 8.410 30.747 44.634 1.00 0.00 C +ATOM 254 CD2 LEU A 46 8.481 33.208 45.159 1.00 0.00 C +ATOM 255 N ILE A 47 5.853 29.918 48.132 1.00 0.00 N +ATOM 256 CA ILE A 47 5.884 29.980 49.604 1.00 0.00 C +ATOM 257 C ILE A 47 7.278 30.130 50.213 1.00 0.00 C +ATOM 258 O ILE A 47 7.395 30.437 51.406 1.00 0.00 O +ATOM 259 CB ILE A 47 5.086 28.843 50.239 1.00 0.00 C +ATOM 260 CG1 ILE A 47 5.522 27.463 49.749 1.00 0.00 C +ATOM 261 CG2 ILE A 47 3.581 29.055 50.086 1.00 0.00 C +ATOM 262 CD1 ILE A 47 4.715 26.345 50.402 1.00 0.00 C +ATOM 263 N ARG A 48 8.245 29.565 49.504 1.00 0.00 N +ATOM 264 CA ARG A 48 9.684 29.729 49.772 1.00 0.00 C +ATOM 265 C ARG A 48 10.369 30.114 48.466 1.00 0.00 C +ATOM 266 O ARG A 48 9.801 29.836 47.404 1.00 0.00 O +ATOM 267 CB ARG A 48 10.321 28.428 50.263 1.00 0.00 C +ATOM 268 CG ARG A 48 9.802 27.922 51.607 1.00 0.00 C +ATOM 269 CD ARG A 48 10.103 28.882 52.757 1.00 0.00 C +ATOM 270 NE ARG A 48 9.819 28.218 54.037 1.00 0.00 N +ATOM 271 CZ ARG A 48 8.760 28.468 54.792 1.00 0.00 C +ATOM 272 NH1 ARG A 48 8.605 27.809 55.931 1.00 0.00 N +ATOM 273 NH2 ARG A 48 7.772 29.218 54.322 1.00 0.00 N +ATOM 274 N GLN A 49 11.611 30.578 48.547 1.00 0.00 N +ATOM 275 CA GLN A 49 12.365 30.987 47.350 1.00 0.00 C +ATOM 276 C GLN A 49 12.631 29.823 46.398 1.00 0.00 C +ATOM 277 O GLN A 49 12.638 30.013 45.176 1.00 0.00 O +ATOM 278 CB GLN A 49 13.691 31.647 47.726 1.00 0.00 C +ATOM 279 CG GLN A 49 13.499 32.938 48.520 1.00 0.00 C +ATOM 280 CD GLN A 49 14.855 33.611 48.721 1.00 0.00 C +ATOM 281 OE1 GLN A 49 15.312 33.778 49.860 1.00 0.00 O +ATOM 282 NE2 GLN A 49 15.418 34.079 47.616 1.00 0.00 N +ATOM 283 N ASN A 50 12.420 28.640 46.944 1.00 0.00 N +ATOM 284 CA ASN A 50 12.629 27.375 46.232 1.00 0.00 C +ATOM 285 C ASN A 50 11.456 26.402 46.344 1.00 0.00 C +ATOM 286 O ASN A 50 11.592 25.237 45.953 1.00 0.00 O +ATOM 287 CB ASN A 50 13.905 26.695 46.721 1.00 0.00 C +ATOM 288 CG ASN A 50 13.769 26.312 48.193 1.00 0.00 C +ATOM 289 OD1 ASN A 50 13.465 27.170 49.034 1.00 0.00 O +ATOM 290 ND2 ASN A 50 14.375 25.177 48.498 1.00 0.00 N +ATOM 291 N TRP A 51 10.436 26.813 47.088 1.00 0.00 N +ATOM 292 CA TRP A 51 9.199 26.016 47.253 1.00 0.00 C +ATOM 293 C TRP A 51 7.936 26.686 46.709 1.00 0.00 C +ATOM 294 O TRP A 51 7.648 27.844 47.040 1.00 0.00 O +ATOM 295 CB TRP A 51 8.960 25.583 48.703 1.00 0.00 C +ATOM 296 CG TRP A 51 9.879 24.433 49.149 1.00 0.00 C +ATOM 297 CD1 TRP A 51 11.074 24.475 49.772 1.00 0.00 C +ATOM 298 CD2 TRP A 51 9.594 23.074 49.014 1.00 0.00 C +ATOM 299 NE1 TRP A 51 11.557 23.200 49.979 1.00 0.00 N +ATOM 300 CE2 TRP A 51 10.701 22.365 49.538 1.00 0.00 C +ATOM 301 CE3 TRP A 51 8.498 22.417 48.476 1.00 0.00 C +ATOM 302 CZ2 TRP A 51 10.781 20.983 49.541 1.00 0.00 C +ATOM 303 CZ3 TRP A 51 8.571 21.016 48.483 1.00 0.00 C +ATOM 304 CH2 TRP A 51 9.674 20.322 48.995 1.00 0.00 C +ATOM 305 N VAL A 52 7.137 25.876 46.015 1.00 0.00 N +ATOM 306 CA VAL A 52 5.857 26.278 45.395 1.00 0.00 C +ATOM 307 C VAL A 52 4.675 25.395 45.803 1.00 0.00 C +ATOM 308 O VAL A 52 4.812 24.170 45.878 1.00 0.00 O +ATOM 309 CB VAL A 52 6.000 26.298 43.868 1.00 0.00 C +ATOM 310 CG1 VAL A 52 4.667 26.308 43.120 1.00 0.00 C +ATOM 311 CG2 VAL A 52 6.930 27.406 43.381 1.00 0.00 C +ATOM 312 N MET A 53 3.606 26.038 46.253 1.00 0.00 N +ATOM 313 CA MET A 53 2.364 25.360 46.656 1.00 0.00 C +ATOM 314 C MET A 53 1.282 25.419 45.580 1.00 0.00 C +ATOM 315 O MET A 53 0.953 26.510 45.099 1.00 0.00 O +ATOM 316 CB MET A 53 1.824 25.993 47.937 1.00 0.00 C +ATOM 317 CG MET A 53 0.512 25.356 48.394 1.00 0.00 C +ATOM 318 SD MET A 53 -0.233 26.098 49.862 1.00 0.00 S +ATOM 319 CE MET A 53 -0.384 27.799 49.273 1.00 0.00 C +ATOM 320 N THR A 54 0.999 24.256 45.011 1.00 0.00 N +ATOM 321 CA THR A 54 -0.053 24.100 43.993 1.00 0.00 C +ATOM 322 C THR A 54 -0.996 22.939 44.316 1.00 0.00 C +ATOM 323 O THR A 54 -1.095 22.558 45.488 1.00 0.00 O +ATOM 324 CB THR A 54 0.591 23.923 42.616 1.00 0.00 C +ATOM 325 OG1 THR A 54 -0.379 24.040 41.576 1.00 0.00 O +ATOM 326 CG2 THR A 54 1.383 22.621 42.484 1.00 0.00 C +ATOM 327 N ALA A 55 -1.932 22.704 43.411 1.00 0.00 N +ATOM 328 CA ALA A 55 -2.895 21.605 43.523 1.00 0.00 C +ATOM 329 C ALA A 55 -2.368 20.325 42.885 1.00 0.00 C +ATOM 330 O ALA A 55 -1.592 20.383 41.923 1.00 0.00 O +ATOM 331 CB ALA A 55 -4.220 21.982 42.866 1.00 0.00 C +ATOM 332 N ALA A 56 -2.527 19.258 43.644 1.00 0.00 N +ATOM 333 CA ALA A 56 -2.079 17.918 43.248 1.00 0.00 C +ATOM 334 C ALA A 56 -2.672 17.458 41.918 1.00 0.00 C +ATOM 335 O ALA A 56 -1.958 16.873 41.092 1.00 0.00 O +ATOM 336 CB ALA A 56 -2.464 16.931 44.341 1.00 0.00 C +ATOM 337 N HIS A 57 -3.817 18.052 41.621 1.00 0.00 N +ATOM 338 CA HIS A 57 -4.612 17.733 40.431 1.00 0.00 C +ATOM 339 C HIS A 57 -3.922 18.195 39.152 1.00 0.00 C +ATOM 340 O HIS A 57 -3.791 17.397 38.213 1.00 0.00 O +ATOM 341 CB HIS A 57 -5.980 18.402 40.537 1.00 0.00 C +ATOM 342 CG HIS A 57 -6.992 17.713 39.612 1.00 0.00 C +ATOM 343 ND1 HIS A 57 -6.617 16.713 38.757 1.00 0.00 N +ATOM 344 CD2 HIS A 57 -8.316 17.907 39.490 1.00 0.00 C +ATOM 345 CE1 HIS A 57 -7.736 16.298 38.086 1.00 0.00 C +ATOM 346 NE2 HIS A 57 -8.788 17.043 38.541 1.00 0.00 N +ATOM 347 N CYS A 58 -3.067 19.174 39.379 1.00 0.00 N +ATOM 348 CA CYS A 58 -2.285 19.808 38.311 1.00 0.00 C +ATOM 349 C CYS A 58 -1.098 18.962 37.877 1.00 0.00 C +ATOM 350 O CYS A 58 -0.610 19.104 36.750 1.00 0.00 O +ATOM 351 CB CYS A 58 -1.757 21.151 38.800 1.00 0.00 C +ATOM 352 SG CYS A 58 -3.009 22.423 39.034 1.00 0.00 S +ATOM 353 N VAL A 59 -0.529 18.285 38.852 1.00 0.00 N +ATOM 354 CA VAL A 59 0.687 17.507 38.607 1.00 0.00 C +ATOM 355 C VAL A 59 0.453 16.002 38.518 1.00 0.00 C +ATOM 356 O VAL A 59 1.346 15.214 38.854 1.00 0.00 O +ATOM 357 CB VAL A 59 1.770 17.856 39.629 1.00 0.00 C +ATOM 358 CG1 VAL A 59 2.402 19.220 39.356 1.00 0.00 C +ATOM 359 CG2 VAL A 59 1.278 17.736 41.070 1.00 0.00 C +ATOM 360 N ASP A 60 -0.785 15.642 38.195 1.00 0.00 N +ATOM 361 CA ASP A 60 -1.157 14.230 37.993 1.00 0.00 C +ATOM 362 C ASP A 60 -0.395 13.541 36.865 1.00 0.00 C +ATOM 363 O ASP A 60 0.024 12.386 37.007 1.00 0.00 O +ATOM 364 CB ASP A 60 -2.654 14.071 37.740 1.00 0.00 C +ATOM 365 CG ASP A 60 -3.407 14.112 39.066 1.00 0.00 C +ATOM 366 OD1 ASP A 60 -3.012 13.403 39.998 1.00 0.00 O +ATOM 367 OD2 ASP A 60 -4.480 14.720 39.127 1.00 0.00 O +ATOM 368 N ARG A 61 -0.371 14.199 35.722 1.00 0.00 N +ATOM 369 CA ARG A 61 0.274 13.646 34.524 1.00 0.00 C +ATOM 370 C ARG A 61 1.756 13.994 34.437 1.00 0.00 C +ATOM 371 O ARG A 61 2.142 15.082 34.879 1.00 0.00 O +ATOM 372 CB ARG A 61 -0.435 14.125 33.259 1.00 0.00 C +ATOM 373 CG ARG A 61 -1.871 13.613 33.161 1.00 0.00 C +ATOM 374 CD ARG A 61 -2.563 14.129 31.900 1.00 0.00 C +ATOM 375 NE ARG A 61 -3.930 13.597 31.802 1.00 0.00 N +ATOM 376 CZ ARG A 61 -4.511 13.306 30.647 1.00 0.00 C +ATOM 377 NH1 ARG A 61 -5.745 12.826 30.641 1.00 0.00 N +ATOM 378 NH2 ARG A 61 -4.000 13.787 29.524 1.00 0.00 N +ATOM 379 N GLU A 62 2.537 12.933 34.342 1.00 0.00 N +ATOM 380 CA GLU A 62 3.997 13.023 34.225 1.00 0.00 C +ATOM 381 C GLU A 62 4.484 13.799 33.006 1.00 0.00 C +ATOM 382 O GLU A 62 5.042 13.225 32.062 1.00 0.00 O +ATOM 383 CB GLU A 62 4.615 11.634 34.291 1.00 0.00 C +ATOM 384 CG GLU A 62 4.495 11.079 35.707 1.00 0.00 C +ATOM 385 CD GLU A 62 4.347 9.564 35.648 1.00 0.00 C +ATOM 386 OE1 GLU A 62 5.060 8.860 36.373 1.00 0.00 O +ATOM 387 OE2 GLU A 62 3.366 9.093 35.060 1.00 0.00 O +ATOM 388 N LEU A 63 4.435 15.107 33.175 1.00 0.00 N +ATOM 389 CA LEU A 63 4.907 16.096 32.199 1.00 0.00 C +ATOM 390 C LEU A 63 6.142 16.819 32.732 1.00 0.00 C +ATOM 391 O LEU A 63 6.662 16.445 33.791 1.00 0.00 O +ATOM 392 CB LEU A 63 3.802 17.127 31.960 1.00 0.00 C +ATOM 393 CG LEU A 63 2.510 16.499 31.437 1.00 0.00 C +ATOM 394 CD1 LEU A 63 1.309 17.430 31.584 1.00 0.00 C +ATOM 395 CD2 LEU A 63 2.653 15.948 30.019 1.00 0.00 C +ATOM 396 N THR A 64 6.742 17.628 31.883 1.00 0.00 N +ATOM 397 CA THR A 64 7.889 18.451 32.285 1.00 0.00 C +ATOM 398 C THR A 64 7.439 19.864 32.636 1.00 0.00 C +ATOM 399 O THR A 64 6.766 20.496 31.815 1.00 0.00 O +ATOM 400 CB THR A 64 8.919 18.502 31.160 1.00 0.00 C +ATOM 401 OG1 THR A 64 9.400 17.184 30.922 1.00 0.00 O +ATOM 402 CG2 THR A 64 10.101 19.409 31.497 1.00 0.00 C +ATOM 403 N PHE A 65 7.464 20.146 33.931 1.00 0.00 N +ATOM 404 CA PHE A 65 6.975 21.424 34.470 1.00 0.00 C +ATOM 405 C PHE A 65 8.050 22.479 34.716 1.00 0.00 C +ATOM 406 O PHE A 65 9.213 22.148 34.981 1.00 0.00 O +ATOM 407 CB PHE A 65 6.248 21.214 35.800 1.00 0.00 C +ATOM 408 CG PHE A 65 5.030 20.288 35.680 1.00 0.00 C +ATOM 409 CD1 PHE A 65 3.859 20.747 35.099 1.00 0.00 C +ATOM 410 CD2 PHE A 65 5.094 19.000 36.187 1.00 0.00 C +ATOM 411 CE1 PHE A 65 2.749 19.904 34.995 1.00 0.00 C +ATOM 412 CE2 PHE A 65 3.989 18.150 36.087 1.00 0.00 C +ATOM 413 CZ PHE A 65 2.815 18.601 35.487 1.00 0.00 C +ATOM 414 N ARG A 65A 7.668 23.712 34.409 1.00 0.00 N +ATOM 415 CA ARG A 65A 8.426 24.902 34.812 1.00 0.00 C +ATOM 416 C ARG A 65A 7.516 25.948 35.451 1.00 0.00 C +ATOM 417 O ARG A 65A 6.290 25.876 35.292 1.00 0.00 O +ATOM 418 CB ARG A 65A 9.227 25.545 33.677 1.00 0.00 C +ATOM 419 CG ARG A 65A 8.406 26.509 32.821 1.00 0.00 C +ATOM 420 CD ARG A 65A 9.294 27.317 31.875 1.00 0.00 C +ATOM 421 NE ARG A 65A 8.485 28.283 31.122 1.00 0.00 N +ATOM 422 CZ ARG A 65A 8.900 28.891 30.020 1.00 0.00 C +ATOM 423 NH1 ARG A 65A 8.086 29.745 29.415 1.00 0.00 N +ATOM 424 NH2 ARG A 65A 10.185 28.875 29.701 1.00 0.00 N +ATOM 425 N VAL A 66 8.078 26.593 36.454 1.00 0.00 N +ATOM 426 CA VAL A 66 7.408 27.653 37.212 1.00 0.00 C +ATOM 427 C VAL A 66 7.955 29.034 36.865 1.00 0.00 C +ATOM 428 O VAL A 66 9.149 29.150 36.559 1.00 0.00 O +ATOM 429 CB VAL A 66 7.556 27.377 38.708 1.00 0.00 C +ATOM 430 CG1 VAL A 66 7.203 28.575 39.587 1.00 0.00 C +ATOM 431 CG2 VAL A 66 6.814 26.111 39.132 1.00 0.00 C +ATOM 432 N VAL A 67 7.031 29.885 36.446 1.00 0.00 N +ATOM 433 CA VAL A 67 7.388 31.258 36.085 1.00 0.00 C +ATOM 434 C VAL A 67 6.862 32.291 37.077 1.00 0.00 C +ATOM 435 O VAL A 67 5.655 32.327 37.350 1.00 0.00 O +ATOM 436 CB VAL A 67 6.887 31.602 34.687 1.00 0.00 C +ATOM 437 CG1 VAL A 67 7.546 32.884 34.185 1.00 0.00 C +ATOM 438 CG2 VAL A 67 7.124 30.456 33.710 1.00 0.00 C +ATOM 439 N VAL A 68 7.802 32.858 37.818 1.00 0.00 N +ATOM 440 CA VAL A 68 7.496 33.944 38.756 1.00 0.00 C +ATOM 441 C VAL A 68 7.707 35.306 38.098 1.00 0.00 C +ATOM 442 O VAL A 68 8.378 35.380 37.061 1.00 0.00 O +ATOM 443 CB VAL A 68 8.355 33.838 40.020 1.00 0.00 C +ATOM 444 CG1 VAL A 68 8.085 32.564 40.812 1.00 0.00 C +ATOM 445 CG2 VAL A 68 9.844 33.991 39.738 1.00 0.00 C +ATOM 446 N GLY A 69 6.846 36.239 38.463 1.00 0.00 N +ATOM 447 CA GLY A 69 6.922 37.611 37.947 1.00 0.00 C +ATOM 448 C GLY A 69 6.201 37.772 36.613 1.00 0.00 C +ATOM 449 O GLY A 69 6.712 38.465 35.724 1.00 0.00 O +ATOM 450 N GLU A 70 5.323 36.822 36.357 1.00 0.00 N +ATOM 451 CA GLU A 70 4.494 36.849 35.145 1.00 0.00 C +ATOM 452 C GLU A 70 3.336 37.838 35.209 1.00 0.00 C +ATOM 453 O GLU A 70 2.782 38.099 36.285 1.00 0.00 O +ATOM 454 CB GLU A 70 3.932 35.463 34.837 1.00 0.00 C +ATOM 455 CG GLU A 70 4.755 34.691 33.810 1.00 0.00 C +ATOM 456 CD GLU A 70 4.406 35.118 32.383 1.00 0.00 C +ATOM 457 OE1 GLU A 70 4.182 36.308 32.122 1.00 0.00 O +ATOM 458 OE2 GLU A 70 4.380 34.255 31.497 1.00 0.00 O +ATOM 459 N HIS A 71 2.993 38.350 34.040 1.00 0.00 N +ATOM 460 CA HIS A 71 1.818 39.214 33.890 1.00 0.00 C +ATOM 461 C HIS A 71 1.047 38.895 32.613 1.00 0.00 C +ATOM 462 O HIS A 71 -0.077 38.383 32.675 1.00 0.00 O +ATOM 463 CB HIS A 71 2.211 40.688 33.914 1.00 0.00 C +ATOM 464 CG HIS A 71 0.955 41.564 34.026 1.00 0.00 C +ATOM 465 ND1 HIS A 71 0.084 41.420 35.065 1.00 0.00 N +ATOM 466 CD2 HIS A 71 0.493 42.532 33.214 1.00 0.00 C +ATOM 467 CE1 HIS A 71 -0.926 42.321 34.894 1.00 0.00 C +ATOM 468 NE2 HIS A 71 -0.675 43.013 33.743 1.00 0.00 N +ATOM 469 N ASN A 72 1.791 38.908 31.516 1.00 0.00 N +ATOM 470 CA ASN A 72 1.267 38.558 30.189 1.00 0.00 C +ATOM 471 C ASN A 72 2.005 37.349 29.627 1.00 0.00 C +ATOM 472 O ASN A 72 3.234 37.409 29.489 1.00 0.00 O +ATOM 473 CB ASN A 72 1.394 39.736 29.221 1.00 0.00 C +ATOM 474 CG ASN A 72 0.559 39.520 27.955 1.00 0.00 C +ATOM 475 OD1 ASN A 72 0.561 38.435 27.356 1.00 0.00 O +ATOM 476 ND2 ASN A 72 0.195 40.654 27.374 1.00 0.00 N +ATOM 477 N LEU A 73 1.331 36.224 29.791 1.00 0.00 N +ATOM 478 CA LEU A 73 1.793 34.907 29.321 1.00 0.00 C +ATOM 479 C LEU A 73 2.461 34.949 27.951 1.00 0.00 C +ATOM 480 O LEU A 73 3.630 34.566 27.819 1.00 0.00 O +ATOM 481 CB LEU A 73 0.630 33.921 29.232 1.00 0.00 C +ATOM 482 CG LEU A 73 0.010 33.567 30.581 1.00 0.00 C +ATOM 483 CD1 LEU A 73 -1.197 32.648 30.399 1.00 0.00 C +ATOM 484 CD2 LEU A 73 1.029 32.965 31.548 1.00 0.00 C +ATOM 485 N ASN A 74 1.826 35.689 27.061 1.00 0.00 N +ATOM 486 CA ASN A 74 2.246 35.726 25.655 1.00 0.00 C +ATOM 487 C ASN A 74 3.200 36.870 25.339 1.00 0.00 C +ATOM 488 O ASN A 74 3.529 37.094 24.168 1.00 0.00 O +ATOM 489 CB ASN A 74 1.027 35.858 24.744 1.00 0.00 C +ATOM 490 CG ASN A 74 0.131 34.632 24.892 1.00 0.00 C +ATOM 491 OD1 ASN A 74 -1.050 34.768 25.237 1.00 0.00 O +ATOM 492 ND2 ASN A 74 0.781 33.479 24.908 1.00 0.00 N +ATOM 493 N GLN A 75 3.560 37.616 26.369 1.00 0.00 N +ATOM 494 CA GLN A 75 4.381 38.816 26.146 1.00 0.00 C +ATOM 495 C GLN A 75 5.426 39.059 27.234 1.00 0.00 C +ATOM 496 O GLN A 75 5.204 38.678 28.391 1.00 0.00 O +ATOM 497 CB GLN A 75 3.422 39.999 26.042 1.00 0.00 C +ATOM 498 CG GLN A 75 4.055 41.328 25.650 1.00 0.00 C +ATOM 499 CD GLN A 75 2.940 42.369 25.596 1.00 0.00 C +ATOM 500 OE1 GLN A 75 1.797 42.020 25.269 1.00 0.00 O +ATOM 501 NE2 GLN A 75 3.199 43.479 26.266 1.00 0.00 N +ATOM 502 N ASN A 76 6.635 39.357 26.778 1.00 0.00 N +ATOM 503 CA ASN A 76 7.767 39.666 27.659 1.00 0.00 C +ATOM 504 C ASN A 76 7.517 40.864 28.567 1.00 0.00 C +ATOM 505 O ASN A 76 7.250 41.972 28.083 1.00 0.00 O +ATOM 506 CB ASN A 76 9.045 39.902 26.863 1.00 0.00 C +ATOM 507 CG ASN A 76 10.128 40.351 27.839 1.00 0.00 C +ATOM 508 OD1 ASN A 76 10.501 39.584 28.737 1.00 0.00 O +ATOM 509 ND2 ASN A 76 10.295 41.663 27.884 1.00 0.00 N +ATOM 510 N ASN A 77 7.289 40.535 29.825 1.00 0.00 N +ATOM 511 CA ASN A 77 7.003 41.553 30.845 1.00 0.00 C +ATOM 512 C ASN A 77 8.269 42.182 31.412 1.00 0.00 C +ATOM 513 O ASN A 77 8.192 43.078 32.262 1.00 0.00 O +ATOM 514 CB ASN A 77 6.183 40.955 31.985 1.00 0.00 C +ATOM 515 CG ASN A 77 4.822 40.537 31.443 1.00 0.00 C +ATOM 516 OD1 ASN A 77 4.568 39.330 31.346 1.00 0.00 O +ATOM 517 ND2 ASN A 77 4.283 41.450 30.651 1.00 0.00 N +ATOM 518 N GLY A 78 9.376 41.523 31.104 1.00 0.00 N +ATOM 519 CA GLY A 78 10.712 41.940 31.557 1.00 0.00 C +ATOM 520 C GLY A 78 10.986 41.598 33.019 1.00 0.00 C +ATOM 521 O GLY A 78 12.048 41.939 33.555 1.00 0.00 O +ATOM 522 N THR A 79 9.988 41.024 33.665 1.00 0.00 N +ATOM 523 CA THR A 79 10.070 40.721 35.101 1.00 0.00 C +ATOM 524 C THR A 79 10.018 39.232 35.426 1.00 0.00 C +ATOM 525 O THR A 79 9.941 38.853 36.601 1.00 0.00 O +ATOM 526 CB THR A 79 8.919 41.419 35.814 1.00 0.00 C +ATOM 527 OG1 THR A 79 7.712 41.020 35.180 1.00 0.00 O +ATOM 528 CG2 THR A 79 9.035 42.938 35.723 1.00 0.00 C +ATOM 529 N GLU A 80 9.991 38.418 34.385 1.00 0.00 N +ATOM 530 CA GLU A 80 9.866 36.963 34.547 1.00 0.00 C +ATOM 531 C GLU A 80 11.162 36.244 34.921 1.00 0.00 C +ATOM 532 O GLU A 80 12.247 36.818 34.767 1.00 0.00 O +ATOM 533 CB GLU A 80 9.300 36.315 33.283 1.00 0.00 C +ATOM 534 CG GLU A 80 7.969 36.913 32.826 1.00 0.00 C +ATOM 535 CD GLU A 80 8.200 37.919 31.699 1.00 0.00 C +ATOM 536 OE1 GLU A 80 8.938 38.893 31.883 1.00 0.00 O +ATOM 537 OE2 GLU A 80 7.616 37.755 30.621 1.00 0.00 O +ATOM 538 N GLN A 81 10.972 35.270 35.801 1.00 0.00 N +ATOM 539 CA GLN A 81 11.982 34.266 36.177 1.00 0.00 C +ATOM 540 C GLN A 81 11.495 32.847 35.895 1.00 0.00 C +ATOM 541 O GLN A 81 10.441 32.432 36.393 1.00 0.00 O +ATOM 542 CB GLN A 81 12.413 34.364 37.641 1.00 0.00 C +ATOM 543 CG GLN A 81 13.423 35.475 37.918 1.00 0.00 C +ATOM 544 CD GLN A 81 13.762 35.494 39.408 1.00 0.00 C +ATOM 545 OE1 GLN A 81 14.423 34.579 39.920 1.00 0.00 O +ATOM 546 NE2 GLN A 81 13.193 36.470 40.095 1.00 0.00 N +ATOM 547 N TYR A 82 12.243 32.172 35.042 1.00 0.00 N +ATOM 548 CA TYR A 82 11.929 30.816 34.578 1.00 0.00 C +ATOM 549 C TYR A 82 12.757 29.763 35.313 1.00 0.00 C +ATOM 550 O TYR A 82 13.991 29.858 35.330 1.00 0.00 O +ATOM 551 CB TYR A 82 12.231 30.718 33.081 1.00 0.00 C +ATOM 552 CG TYR A 82 11.497 31.791 32.258 1.00 0.00 C +ATOM 553 CD1 TYR A 82 12.178 32.912 31.806 1.00 0.00 C +ATOM 554 CD2 TYR A 82 10.159 31.624 31.942 1.00 0.00 C +ATOM 555 CE1 TYR A 82 11.514 33.883 31.046 1.00 0.00 C +ATOM 556 CE2 TYR A 82 9.487 32.588 31.179 1.00 0.00 C +ATOM 557 CZ TYR A 82 10.166 33.718 30.731 1.00 0.00 C +ATOM 558 OH TYR A 82 9.447 34.789 30.238 1.00 0.00 O +ATOM 559 N VAL A 83 12.079 28.976 36.134 1.00 0.00 N +ATOM 560 CA VAL A 83 12.748 27.925 36.920 1.00 0.00 C +ATOM 561 C VAL A 83 12.071 26.560 36.784 1.00 0.00 C +ATOM 562 O VAL A 83 10.872 26.498 36.492 1.00 0.00 O +ATOM 563 CB VAL A 83 12.813 28.354 38.391 1.00 0.00 C +ATOM 564 CG1 VAL A 83 11.432 28.490 39.028 1.00 0.00 C +ATOM 565 CG2 VAL A 83 13.743 27.485 39.235 1.00 0.00 C +ATOM 566 N GLY A 84 12.888 25.518 36.700 1.00 0.00 N +ATOM 567 CA GLY A 84 12.400 24.135 36.598 1.00 0.00 C +ATOM 568 C GLY A 84 12.061 23.521 37.956 1.00 0.00 C +ATOM 569 O GLY A 84 12.323 24.130 39.000 1.00 0.00 O +ATOM 570 N VAL A 85 11.223 22.501 37.895 1.00 0.00 N +ATOM 571 CA VAL A 85 10.757 21.769 39.082 1.00 0.00 C +ATOM 572 C VAL A 85 11.572 20.497 39.308 1.00 0.00 C +ATOM 573 O VAL A 85 11.672 19.674 38.390 1.00 0.00 O +ATOM 574 CB VAL A 85 9.284 21.404 38.881 1.00 0.00 C +ATOM 575 CG1 VAL A 85 8.728 20.541 40.012 1.00 0.00 C +ATOM 576 CG2 VAL A 85 8.416 22.637 38.633 1.00 0.00 C +ATOM 577 N GLN A 86 12.376 20.491 40.366 1.00 0.00 N +ATOM 578 CA GLN A 86 13.222 19.315 40.622 1.00 0.00 C +ATOM 579 C GLN A 86 12.514 18.201 41.389 1.00 0.00 C +ATOM 580 O GLN A 86 12.809 17.021 41.158 1.00 0.00 O +ATOM 581 CB GLN A 86 14.547 19.650 41.319 1.00 0.00 C +ATOM 582 CG GLN A 86 14.425 19.837 42.834 1.00 0.00 C +ATOM 583 CD GLN A 86 15.814 19.868 43.468 1.00 0.00 C +ATOM 584 OE1 GLN A 86 16.668 20.651 43.033 1.00 0.00 O +ATOM 585 NE2 GLN A 86 16.105 18.809 44.211 1.00 0.00 N +ATOM 586 N LYS A 87 11.472 18.563 42.123 1.00 0.00 N +ATOM 587 CA LYS A 87 10.825 17.590 43.015 1.00 0.00 C +ATOM 588 C LYS A 87 9.357 17.894 43.308 1.00 0.00 C +ATOM 589 O LYS A 87 8.987 19.066 43.440 1.00 0.00 O +ATOM 590 CB LYS A 87 11.631 17.506 44.312 1.00 0.00 C +ATOM 591 CG LYS A 87 11.153 16.386 45.231 1.00 0.00 C +ATOM 592 CD LYS A 87 12.082 16.180 46.422 1.00 0.00 C +ATOM 593 CE LYS A 87 11.592 15.045 47.317 1.00 0.00 C +ATOM 594 NZ LYS A 87 11.477 13.803 46.542 1.00 0.00 N +ATOM 595 N ILE A 88 8.523 16.888 43.078 1.00 0.00 N +ATOM 596 CA ILE A 88 7.067 16.985 43.256 1.00 0.00 C +ATOM 597 C ILE A 88 6.543 16.115 44.399 1.00 0.00 C +ATOM 598 O ILE A 88 6.863 14.922 44.463 1.00 0.00 O +ATOM 599 CB ILE A 88 6.377 16.581 41.952 1.00 0.00 C +ATOM 600 CG1 ILE A 88 6.830 17.443 40.775 1.00 0.00 C +ATOM 601 CG2 ILE A 88 4.855 16.545 42.077 1.00 0.00 C +ATOM 602 CD1 ILE A 88 6.153 17.035 39.469 1.00 0.00 C +ATOM 603 N VAL A 89 6.030 16.788 45.419 1.00 0.00 N +ATOM 604 CA VAL A 89 5.454 16.124 46.596 1.00 0.00 C +ATOM 605 C VAL A 89 3.939 16.294 46.684 1.00 0.00 C +ATOM 606 O VAL A 89 3.453 17.394 46.971 1.00 0.00 O +ATOM 607 CB VAL A 89 6.080 16.671 47.879 1.00 0.00 C +ATOM 608 CG1 VAL A 89 5.583 15.917 49.112 1.00 0.00 C +ATOM 609 CG2 VAL A 89 7.606 16.680 47.814 1.00 0.00 C +ATOM 610 N VAL A 90 3.233 15.282 46.218 1.00 0.00 N +ATOM 611 CA VAL A 90 1.768 15.244 46.294 1.00 0.00 C +ATOM 612 C VAL A 90 1.308 14.585 47.594 1.00 0.00 C +ATOM 613 O VAL A 90 2.090 13.818 48.170 1.00 0.00 O +ATOM 614 CB VAL A 90 1.232 14.478 45.083 1.00 0.00 C +ATOM 615 CG1 VAL A 90 1.958 13.154 44.858 1.00 0.00 C +ATOM 616 CG2 VAL A 90 -0.284 14.309 45.089 1.00 0.00 C +ATOM 617 N HIS A 91 0.351 15.248 48.238 1.00 0.00 N +ATOM 618 CA HIS A 91 -0.248 14.762 49.493 1.00 0.00 C +ATOM 619 C HIS A 91 -0.636 13.285 49.407 1.00 0.00 C +ATOM 620 O HIS A 91 -1.205 12.869 48.390 1.00 0.00 O +ATOM 621 CB HIS A 91 -1.476 15.599 49.852 1.00 0.00 C +ATOM 622 CG HIS A 91 -1.871 15.369 51.319 1.00 0.00 C +ATOM 623 ND1 HIS A 91 -2.390 14.187 51.755 1.00 0.00 N +ATOM 624 CD2 HIS A 91 -1.773 16.198 52.369 1.00 0.00 C +ATOM 625 CE1 HIS A 91 -2.615 14.294 53.100 1.00 0.00 C +ATOM 626 NE2 HIS A 91 -2.232 15.547 53.480 1.00 0.00 N +ATOM 627 N PRO A 92 0.019 12.491 50.246 1.00 0.00 N +ATOM 628 CA PRO A 92 -0.108 11.019 50.318 1.00 0.00 C +ATOM 629 C PRO A 92 -1.524 10.449 50.234 1.00 0.00 C +ATOM 630 O PRO A 92 -1.698 9.328 49.741 1.00 0.00 O +ATOM 631 CB PRO A 92 0.585 10.591 51.611 1.00 0.00 C +ATOM 632 CG PRO A 92 0.850 11.883 52.368 1.00 0.00 C +ATOM 633 CD PRO A 92 0.973 12.940 51.278 1.00 0.00 C +ATOM 634 N TYR A 93 -2.514 11.288 50.487 1.00 0.00 N +ATOM 635 CA TYR A 93 -3.923 10.872 50.423 1.00 0.00 C +ATOM 636 C TYR A 93 -4.625 11.286 49.131 1.00 0.00 C +ATOM 637 O TYR A 93 -5.791 10.925 48.922 1.00 0.00 O +ATOM 638 CB TYR A 93 -4.729 11.373 51.623 1.00 0.00 C +ATOM 639 CG TYR A 93 -4.456 10.605 52.928 1.00 0.00 C +ATOM 640 CD1 TYR A 93 -3.910 9.331 52.899 1.00 0.00 C +ATOM 641 CD2 TYR A 93 -4.802 11.178 54.141 1.00 0.00 C +ATOM 642 CE1 TYR A 93 -3.681 8.635 54.093 1.00 0.00 C +ATOM 643 CE2 TYR A 93 -4.579 10.490 55.339 1.00 0.00 C +ATOM 644 CZ TYR A 93 -4.013 9.216 55.317 1.00 0.00 C +ATOM 645 OH TYR A 93 -4.212 8.391 56.404 1.00 0.00 O +ATOM 646 N TRP A 94 -3.904 11.996 48.269 1.00 0.00 N +ATOM 647 CA TRP A 94 -4.473 12.415 46.974 1.00 0.00 C +ATOM 648 C TRP A 94 -4.760 11.249 46.031 1.00 0.00 C +ATOM 649 O TRP A 94 -3.999 10.273 46.026 1.00 0.00 O +ATOM 650 CB TRP A 94 -3.651 13.509 46.281 1.00 0.00 C +ATOM 651 CG TRP A 94 -4.100 13.773 44.830 1.00 0.00 C +ATOM 652 CD1 TRP A 94 -3.470 13.459 43.676 1.00 0.00 C +ATOM 653 CD2 TRP A 94 -5.267 14.428 44.428 1.00 0.00 C +ATOM 654 NE1 TRP A 94 -4.208 13.875 42.587 1.00 0.00 N +ATOM 655 CE2 TRP A 94 -5.268 14.443 43.011 1.00 0.00 C +ATOM 656 CE3 TRP A 94 -6.306 14.982 45.158 1.00 0.00 C +ATOM 657 CZ2 TRP A 94 -6.296 14.987 42.260 1.00 0.00 C +ATOM 658 CZ3 TRP A 94 -7.347 15.540 44.402 1.00 0.00 C +ATOM 659 CH2 TRP A 94 -7.342 15.542 43.002 1.00 0.00 C +ATOM 660 N ASN A 95 -6.055 11.147 45.794 1.00 0.00 N +ATOM 661 CA ASN A 95 -6.680 10.169 44.898 1.00 0.00 C +ATOM 662 C ASN A 95 -7.447 10.837 43.759 1.00 0.00 C +ATOM 663 O ASN A 95 -8.402 11.574 44.033 1.00 0.00 O +ATOM 664 CB ASN A 95 -7.625 9.296 45.718 1.00 0.00 C +ATOM 665 CG ASN A 95 -8.506 8.455 44.798 1.00 0.00 C +ATOM 666 OD1 ASN A 95 -9.603 8.059 45.210 1.00 0.00 O +ATOM 667 ND2 ASN A 95 -7.907 7.967 43.724 1.00 0.00 N +ATOM 668 N THR A 96 -6.731 10.937 42.648 1.00 0.00 N +ATOM 669 CA THR A 96 -7.162 11.569 41.388 1.00 0.00 C +ATOM 670 C THR A 96 -8.637 11.360 41.051 1.00 0.00 C +ATOM 671 O THR A 96 -9.314 12.280 40.575 1.00 0.00 O +ATOM 672 CB THR A 96 -6.301 11.051 40.235 1.00 0.00 C +ATOM 673 OG1 THR A 96 -4.929 11.087 40.610 1.00 0.00 O +ATOM 674 CG2 THR A 96 -6.499 11.846 38.945 1.00 0.00 C +ATOM 675 N ASP A 97 -9.113 10.157 41.319 1.00 0.00 N +ATOM 676 CA ASP A 97 -10.493 9.794 40.982 1.00 0.00 C +ATOM 677 C ASP A 97 -11.503 10.329 41.989 1.00 0.00 C +ATOM 678 O ASP A 97 -12.715 10.155 41.813 1.00 0.00 O +ATOM 679 CB ASP A 97 -10.628 8.278 40.875 1.00 0.00 C +ATOM 680 CG ASP A 97 -9.646 7.775 39.822 1.00 0.00 C +ATOM 681 OD1 ASP A 97 -9.415 8.490 38.840 1.00 0.00 O +ATOM 682 OD2 ASP A 97 -8.926 6.807 40.093 1.00 0.00 O +ATOM 683 N ASP A 98 -10.982 10.840 43.089 1.00 0.00 N +ATOM 684 CA ASP A 98 -11.858 11.371 44.140 1.00 0.00 C +ATOM 685 C ASP A 98 -11.425 12.754 44.619 1.00 0.00 C +ATOM 686 O ASP A 98 -10.800 12.879 45.679 1.00 0.00 O +ATOM 687 CB ASP A 98 -11.891 10.399 45.316 1.00 0.00 C +ATOM 688 CG ASP A 98 -13.180 10.571 46.117 1.00 0.00 C +ATOM 689 OD1 ASP A 98 -13.910 11.547 45.901 1.00 0.00 O +ATOM 690 OD2 ASP A 98 -13.551 9.641 46.844 1.00 0.00 O +ATOM 691 N VAL A 99 -11.543 13.717 43.722 1.00 0.00 N +ATOM 692 CA VAL A 99 -11.178 15.101 44.049 1.00 0.00 C +ATOM 693 C VAL A 99 -12.121 15.687 45.098 1.00 0.00 C +ATOM 694 O VAL A 99 -11.664 16.435 45.973 1.00 0.00 O +ATOM 695 CB VAL A 99 -11.153 15.984 42.797 1.00 0.00 C +ATOM 696 CG1 VAL A 99 -10.570 15.230 41.604 1.00 0.00 C +ATOM 697 CG2 VAL A 99 -12.515 16.579 42.443 1.00 0.00 C +ATOM 698 N ALA A 99A -13.223 14.968 45.263 1.00 0.00 N +ATOM 699 CA ALA A 99A -14.281 15.336 46.205 1.00 0.00 C +ATOM 700 C ALA A 99A -13.908 14.916 47.620 1.00 0.00 C +ATOM 701 O ALA A 99A -14.311 15.580 48.582 1.00 0.00 O +ATOM 702 CB ALA A 99A -15.598 14.678 45.801 1.00 0.00 C +ATOM 703 N ALA A 99B -12.853 14.116 47.664 1.00 0.00 N +ATOM 704 CA ALA A 99B -12.305 13.657 48.946 1.00 0.00 C +ATOM 705 C ALA A 99B -11.352 14.682 49.551 1.00 0.00 C +ATOM 706 O ALA A 99B -11.244 14.781 50.780 1.00 0.00 O +ATOM 707 CB ALA A 99B -11.585 12.322 48.788 1.00 0.00 C +ATOM 708 N GLY A 100 -10.876 15.568 48.690 1.00 0.00 N +ATOM 709 CA GLY A 100 -9.966 16.648 49.106 1.00 0.00 C +ATOM 710 C GLY A 100 -8.503 16.360 48.781 1.00 0.00 C +ATOM 711 O GLY A 100 -8.241 15.534 47.898 1.00 0.00 O +ATOM 712 N TYR A 101 -7.656 16.730 49.740 1.00 0.00 N +ATOM 713 CA TYR A 101 -6.188 16.562 49.721 1.00 0.00 C +ATOM 714 C TYR A 101 -5.529 17.024 48.421 1.00 0.00 C +ATOM 715 O TYR A 101 -4.418 16.586 48.094 1.00 0.00 O +ATOM 716 CB TYR A 101 -5.807 15.103 49.995 1.00 0.00 C +ATOM 717 CG TYR A 101 -6.493 14.555 51.258 1.00 0.00 C +ATOM 718 CD1 TYR A 101 -6.084 14.975 52.513 1.00 0.00 C +ATOM 719 CD2 TYR A 101 -7.521 13.631 51.139 1.00 0.00 C +ATOM 720 CE1 TYR A 101 -6.710 14.479 53.662 1.00 0.00 C +ATOM 721 CE2 TYR A 101 -8.153 13.129 52.281 1.00 0.00 C +ATOM 722 CZ TYR A 101 -7.747 13.556 53.542 1.00 0.00 C +ATOM 723 OH TYR A 101 -8.429 13.135 54.664 1.00 0.00 O +ATOM 724 N ASP A 102 -6.208 17.933 47.734 1.00 0.00 N +ATOM 725 CA ASP A 102 -5.750 18.476 46.446 1.00 0.00 C +ATOM 726 C ASP A 102 -4.710 19.581 46.620 1.00 0.00 C +ATOM 727 O ASP A 102 -5.042 20.772 46.557 1.00 0.00 O +ATOM 728 CB ASP A 102 -6.944 18.992 45.641 1.00 0.00 C +ATOM 729 CG ASP A 102 -6.519 19.337 44.213 1.00 0.00 C +ATOM 730 OD1 ASP A 102 -5.434 18.928 43.785 1.00 0.00 O +ATOM 731 OD2 ASP A 102 -7.325 19.910 43.470 1.00 0.00 O +ATOM 732 N ILE A 103 -3.586 19.163 47.171 1.00 0.00 N +ATOM 733 CA ILE A 103 -2.436 20.043 47.406 1.00 0.00 C +ATOM 734 C ILE A 103 -1.097 19.347 47.153 1.00 0.00 C +ATOM 735 O ILE A 103 -1.015 18.120 47.300 1.00 0.00 O +ATOM 736 CB ILE A 103 -2.502 20.612 48.828 1.00 0.00 C +ATOM 737 CG1 ILE A 103 -1.398 21.626 49.128 1.00 0.00 C +ATOM 738 CG2 ILE A 103 -2.603 19.525 49.898 1.00 0.00 C +ATOM 739 CD1 ILE A 103 -1.498 22.182 50.546 1.00 0.00 C +ATOM 740 N ALA A 104 -0.272 20.027 46.367 1.00 0.00 N +ATOM 741 CA ALA A 104 1.094 19.575 46.070 1.00 0.00 C +ATOM 742 C ALA A 104 2.149 20.658 46.285 1.00 0.00 C +ATOM 743 O ALA A 104 1.815 21.848 46.343 1.00 0.00 O +ATOM 744 CB ALA A 104 1.189 19.053 44.639 1.00 0.00 C +ATOM 745 N LEU A 105 3.321 20.199 46.694 1.00 0.00 N +ATOM 746 CA LEU A 105 4.499 21.053 46.901 1.00 0.00 C +ATOM 747 C LEU A 105 5.615 20.743 45.906 1.00 0.00 C +ATOM 748 O LEU A 105 5.833 19.573 45.570 1.00 0.00 O +ATOM 749 CB LEU A 105 5.030 20.928 48.329 1.00 0.00 C +ATOM 750 CG LEU A 105 4.076 21.488 49.385 1.00 0.00 C +ATOM 751 CD1 LEU A 105 4.611 21.270 50.800 1.00 0.00 C +ATOM 752 CD2 LEU A 105 3.747 22.959 49.141 1.00 0.00 C +ATOM 753 N LEU A 106 6.080 21.791 45.245 1.00 0.00 N +ATOM 754 CA LEU A 106 7.111 21.676 44.203 1.00 0.00 C +ATOM 755 C LEU A 106 8.433 22.326 44.601 1.00 0.00 C +ATOM 756 O LEU A 106 8.523 23.559 44.675 1.00 0.00 O +ATOM 757 CB LEU A 106 6.652 22.352 42.910 1.00 0.00 C +ATOM 758 CG LEU A 106 5.274 21.910 42.418 1.00 0.00 C +ATOM 759 CD1 LEU A 106 4.835 22.734 41.209 1.00 0.00 C +ATOM 760 CD2 LEU A 106 5.190 20.410 42.137 1.00 0.00 C +ATOM 761 N ARG A 107 9.442 21.495 44.803 1.00 0.00 N +ATOM 762 CA ARG A 107 10.789 22.012 45.062 1.00 0.00 C +ATOM 763 C ARG A 107 11.502 22.390 43.770 1.00 0.00 C +ATOM 764 O ARG A 107 11.527 21.579 42.835 1.00 0.00 O +ATOM 765 CB ARG A 107 11.656 21.040 45.859 1.00 0.00 C +ATOM 766 CG ARG A 107 13.064 21.610 46.026 1.00 0.00 C +ATOM 767 CD ARG A 107 14.001 20.717 46.835 1.00 0.00 C +ATOM 768 NE ARG A 107 15.364 21.267 46.755 1.00 0.00 N +ATOM 769 CZ ARG A 107 16.016 21.793 47.784 1.00 0.00 C +ATOM 770 NH1 ARG A 107 17.235 22.271 47.590 1.00 0.00 N +ATOM 771 NH2 ARG A 107 15.639 21.492 49.017 1.00 0.00 N +ATOM 772 N LEU A 108 11.567 23.699 43.593 1.00 0.00 N +ATOM 773 CA LEU A 108 12.231 24.326 42.445 1.00 0.00 C +ATOM 774 C LEU A 108 13.718 23.989 42.371 1.00 0.00 C +ATOM 775 O LEU A 108 14.383 23.862 43.409 1.00 0.00 O +ATOM 776 CB LEU A 108 12.080 25.843 42.513 1.00 0.00 C +ATOM 777 CG LEU A 108 10.621 26.291 42.545 1.00 0.00 C +ATOM 778 CD1 LEU A 108 10.505 27.800 42.755 1.00 0.00 C +ATOM 779 CD2 LEU A 108 9.850 25.825 41.312 1.00 0.00 C +ATOM 780 N ALA A 109 14.175 23.779 41.146 1.00 0.00 N +ATOM 781 CA ALA A 109 15.575 23.468 40.822 1.00 0.00 C +ATOM 782 C ALA A 109 16.564 24.491 41.377 1.00 0.00 C +ATOM 783 O ALA A 109 17.678 24.128 41.776 1.00 0.00 O +ATOM 784 CB ALA A 109 15.748 23.373 39.309 1.00 0.00 C +ATOM 785 N GLN A 110 16.058 25.695 41.585 1.00 0.00 N +ATOM 786 CA GLN A 110 16.841 26.811 42.129 1.00 0.00 C +ATOM 787 C GLN A 110 15.949 27.859 42.793 1.00 0.00 C +ATOM 788 O GLN A 110 14.750 27.934 42.501 1.00 0.00 O +ATOM 789 CB GLN A 110 17.653 27.458 41.007 1.00 0.00 C +ATOM 790 CG GLN A 110 19.104 27.713 41.416 1.00 0.00 C +ATOM 791 CD GLN A 110 19.855 28.366 40.259 1.00 0.00 C +ATOM 792 OE1 GLN A 110 19.239 29.050 39.431 1.00 0.00 O +ATOM 793 NE2 GLN A 110 21.173 28.372 40.386 1.00 0.00 N +ATOM 794 N SER A 111 16.558 28.698 43.614 1.00 0.00 N +ATOM 795 CA SER A 111 15.828 29.759 44.312 1.00 0.00 C +ATOM 796 C SER A 111 15.646 31.016 43.470 1.00 0.00 C +ATOM 797 O SER A 111 16.603 31.514 42.865 1.00 0.00 O +ATOM 798 CB SER A 111 16.505 30.113 45.632 1.00 0.00 C +ATOM 799 OG SER A 111 16.425 28.995 46.508 1.00 0.00 O +ATOM 800 N VAL A 112 14.461 31.586 43.599 1.00 0.00 N +ATOM 801 CA VAL A 112 14.094 32.803 42.868 1.00 0.00 C +ATOM 802 C VAL A 112 14.485 34.070 43.623 1.00 0.00 C +ATOM 803 O VAL A 112 14.851 34.005 44.803 1.00 0.00 O +ATOM 804 CB VAL A 112 12.593 32.823 42.585 1.00 0.00 C +ATOM 805 CG1 VAL A 112 12.160 31.634 41.729 1.00 0.00 C +ATOM 806 CG2 VAL A 112 11.767 32.929 43.864 1.00 0.00 C +ATOM 807 N THR A 113 14.714 35.112 42.847 1.00 0.00 N +ATOM 808 CA THR A 113 15.102 36.407 43.410 1.00 0.00 C +ATOM 809 C THR A 113 13.903 37.309 43.685 1.00 0.00 C +ATOM 810 O THR A 113 13.053 37.498 42.805 1.00 0.00 O +ATOM 811 CB THR A 113 16.102 37.104 42.492 1.00 0.00 C +ATOM 812 OG1 THR A 113 17.233 36.257 42.330 1.00 0.00 O +ATOM 813 CG2 THR A 113 16.556 38.453 43.047 1.00 0.00 C +ATOM 814 N LEU A 114 13.666 37.461 44.976 1.00 0.00 N +ATOM 815 CA LEU A 114 12.553 38.264 45.487 1.00 0.00 C +ATOM 816 C LEU A 114 12.718 39.759 45.234 1.00 0.00 C +ATOM 817 O LEU A 114 13.848 40.265 45.255 1.00 0.00 O +ATOM 818 CB LEU A 114 12.353 38.051 46.987 1.00 0.00 C +ATOM 819 CG LEU A 114 12.070 36.599 47.369 1.00 0.00 C +ATOM 820 CD1 LEU A 114 11.945 36.442 48.883 1.00 0.00 C +ATOM 821 CD2 LEU A 114 10.848 36.031 46.651 1.00 0.00 C +ATOM 822 N ASN A 115 11.706 40.270 44.558 1.00 0.00 N +ATOM 823 CA ASN A 115 11.518 41.702 44.303 1.00 0.00 C +ATOM 824 C ASN A 115 10.060 42.121 44.449 1.00 0.00 C +ATOM 825 O ASN A 115 9.225 41.293 44.833 1.00 0.00 O +ATOM 826 CB ASN A 115 12.087 42.135 42.952 1.00 0.00 C +ATOM 827 CG ASN A 115 11.675 41.145 41.868 1.00 0.00 C +ATOM 828 OD1 ASN A 115 10.478 40.886 41.697 1.00 0.00 O +ATOM 829 ND2 ASN A 115 12.643 40.295 41.553 1.00 0.00 N +ATOM 830 N SER A 116 9.743 43.250 43.853 1.00 0.00 N +ATOM 831 CA SER A 116 8.390 43.812 43.946 1.00 0.00 C +ATOM 832 C SER A 116 7.390 43.094 43.047 1.00 0.00 C +ATOM 833 O SER A 116 6.187 43.093 43.339 1.00 0.00 O +ATOM 834 CB SER A 116 8.414 45.304 43.635 1.00 0.00 C +ATOM 835 OG SER A 116 9.055 45.504 42.384 1.00 0.00 O +ATOM 836 N TYR A 117 7.946 42.207 42.245 1.00 0.00 N +ATOM 837 CA TYR A 117 7.151 41.380 41.329 1.00 0.00 C +ATOM 838 C TYR A 117 7.112 39.930 41.802 1.00 0.00 C +ATOM 839 O TYR A 117 6.288 39.135 41.332 1.00 0.00 O +ATOM 840 CB TYR A 117 7.712 41.444 39.905 1.00 0.00 C +ATOM 841 CG TYR A 117 7.807 42.891 39.392 1.00 0.00 C +ATOM 842 CD1 TYR A 117 6.663 43.569 38.999 1.00 0.00 C +ATOM 843 CD2 TYR A 117 9.042 43.516 39.315 1.00 0.00 C +ATOM 844 CE1 TYR A 117 6.749 44.890 38.540 1.00 0.00 C +ATOM 845 CE2 TYR A 117 9.139 44.835 38.858 1.00 0.00 C +ATOM 846 CZ TYR A 117 7.990 45.524 38.474 1.00 0.00 C +ATOM 847 OH TYR A 117 8.114 46.695 37.757 1.00 0.00 O +ATOM 848 N VAL A 118 8.081 39.591 42.646 1.00 0.00 N +ATOM 849 CA VAL A 118 8.214 38.230 43.197 1.00 0.00 C +ATOM 850 C VAL A 118 8.385 38.211 44.715 1.00 0.00 C +ATOM 851 O VAL A 118 9.339 38.817 45.216 1.00 0.00 O +ATOM 852 CB VAL A 118 9.410 37.510 42.567 1.00 0.00 C +ATOM 853 CG1 VAL A 118 9.607 36.110 43.145 1.00 0.00 C +ATOM 854 CG2 VAL A 118 9.351 37.473 41.042 1.00 0.00 C +ATOM 855 N GLN A 119 7.294 37.921 45.408 1.00 0.00 N +ATOM 856 CA GLN A 119 7.316 37.768 46.872 1.00 0.00 C +ATOM 857 C GLN A 119 6.828 36.409 47.366 1.00 0.00 C +ATOM 858 O GLN A 119 6.264 35.626 46.593 1.00 0.00 O +ATOM 859 CB GLN A 119 6.526 38.873 47.574 1.00 0.00 C +ATOM 860 CG GLN A 119 7.281 40.200 47.645 1.00 0.00 C +ATOM 861 CD GLN A 119 8.523 40.042 48.522 1.00 0.00 C +ATOM 862 OE1 GLN A 119 9.560 40.656 48.235 1.00 0.00 O +ATOM 863 NE2 GLN A 119 8.310 39.473 49.700 1.00 0.00 N +ATOM 864 N LEU A 120 6.942 36.218 48.671 1.00 0.00 N +ATOM 865 CA LEU A 120 6.454 34.990 49.308 1.00 0.00 C +ATOM 866 C LEU A 120 5.009 35.133 49.774 1.00 0.00 C +ATOM 867 O LEU A 120 4.549 36.247 50.055 1.00 0.00 O +ATOM 868 CB LEU A 120 7.313 34.562 50.499 1.00 0.00 C +ATOM 869 CG LEU A 120 8.756 34.231 50.124 1.00 0.00 C +ATOM 870 CD1 LEU A 120 9.511 33.648 51.317 1.00 0.00 C +ATOM 871 CD2 LEU A 120 8.830 33.295 48.921 1.00 0.00 C +ATOM 872 N GLY A 121 4.282 34.049 49.595 1.00 0.00 N +ATOM 873 CA GLY A 121 2.866 33.964 49.959 1.00 0.00 C +ATOM 874 C GLY A 121 2.672 33.706 51.449 1.00 0.00 C +ATOM 875 O GLY A 121 3.413 32.905 52.033 1.00 0.00 O +ATOM 876 N VAL A 122 2.037 34.683 52.066 1.00 0.00 N +ATOM 877 CA VAL A 122 1.718 34.624 53.494 1.00 0.00 C +ATOM 878 C VAL A 122 0.660 33.568 53.803 1.00 0.00 C +ATOM 879 O VAL A 122 -0.374 33.522 53.124 1.00 0.00 O +ATOM 880 CB VAL A 122 1.247 35.991 53.984 1.00 0.00 C +ATOM 881 CG1 VAL A 122 0.814 35.957 55.448 1.00 0.00 C +ATOM 882 CG2 VAL A 122 2.296 37.072 53.733 1.00 0.00 C +ATOM 883 N LEU A 123 1.135 32.522 54.454 1.00 0.00 N +ATOM 884 CA LEU A 123 0.274 31.416 54.894 1.00 0.00 C +ATOM 885 C LEU A 123 -0.440 31.729 56.206 1.00 0.00 C +ATOM 886 O LEU A 123 0.065 32.512 57.020 1.00 0.00 O +ATOM 887 CB LEU A 123 1.097 30.141 55.066 1.00 0.00 C +ATOM 888 CG LEU A 123 1.693 29.648 53.749 1.00 0.00 C +ATOM 889 CD1 LEU A 123 2.615 28.449 53.961 1.00 0.00 C +ATOM 890 CD2 LEU A 123 0.613 29.354 52.708 1.00 0.00 C +ATOM 891 N PRO A 124 -1.666 31.243 56.311 1.00 0.00 N +ATOM 892 CA PRO A 124 -2.523 31.393 57.504 1.00 0.00 C +ATOM 893 C PRO A 124 -2.102 30.505 58.672 1.00 0.00 C +ATOM 894 O PRO A 124 -1.225 29.643 58.535 1.00 0.00 O +ATOM 895 CB PRO A 124 -3.903 30.944 57.041 1.00 0.00 C +ATOM 896 CG PRO A 124 -3.616 29.921 55.957 1.00 0.00 C +ATOM 897 CD PRO A 124 -2.369 30.464 55.270 1.00 0.00 C +ATOM 898 N ARG A 125 -2.599 30.882 59.836 1.00 0.00 N +ATOM 899 CA ARG A 125 -2.427 30.102 61.064 1.00 0.00 C +ATOM 900 C ARG A 125 -3.237 28.809 60.991 1.00 0.00 C +ATOM 901 O ARG A 125 -4.232 28.763 60.256 1.00 0.00 O +ATOM 902 CB ARG A 125 -2.903 30.929 62.260 1.00 0.00 C +ATOM 903 CG ARG A 125 -2.818 30.164 63.580 1.00 0.00 C +ATOM 904 CD ARG A 125 -3.424 30.942 64.745 1.00 0.00 C +ATOM 905 NE ARG A 125 -3.354 30.140 65.975 1.00 0.00 N +ATOM 906 CZ ARG A 125 -4.346 30.053 66.850 1.00 0.00 C +ATOM 907 NH1 ARG A 125 -4.194 29.303 67.931 1.00 0.00 N +ATOM 908 NH2 ARG A 125 -5.330 30.938 66.810 1.00 0.00 N +ATOM 909 N ALA A 126 -2.551 27.731 61.316 1.00 0.00 N +ATOM 910 CA ALA A 126 -3.148 26.394 61.359 1.00 0.00 C +ATOM 911 C ALA A 126 -4.500 26.340 62.072 1.00 0.00 C +ATOM 912 O ALA A 126 -4.675 26.988 63.112 1.00 0.00 O +ATOM 913 CB ALA A 126 -2.184 25.410 62.018 1.00 0.00 C +ATOM 914 N GLY A 127 -5.489 25.958 61.283 1.00 0.00 N +ATOM 915 CA GLY A 127 -6.853 25.707 61.771 1.00 0.00 C +ATOM 916 C GLY A 127 -7.791 26.901 61.627 1.00 0.00 C +ATOM 917 O GLY A 127 -8.984 26.790 61.938 1.00 0.00 O +ATOM 918 N THR A 128 -7.289 27.928 60.966 1.00 0.00 N +ATOM 919 CA THR A 128 -8.044 29.176 60.774 1.00 0.00 C +ATOM 920 C THR A 128 -9.202 29.076 59.782 1.00 0.00 C +ATOM 921 O THR A 128 -9.034 28.533 58.683 1.00 0.00 O +ATOM 922 CB THR A 128 -7.101 30.305 60.369 1.00 0.00 C +ATOM 923 OG1 THR A 128 -6.140 30.483 61.401 1.00 0.00 O +ATOM 924 CG2 THR A 128 -7.833 31.626 60.141 1.00 0.00 C +ATOM 925 N ILE A 129 -10.392 29.240 60.340 1.00 0.00 N +ATOM 926 CA ILE A 129 -11.645 29.262 59.570 1.00 0.00 C +ATOM 927 C ILE A 129 -12.176 30.688 59.451 1.00 0.00 C +ATOM 928 O ILE A 129 -12.210 31.415 60.452 1.00 0.00 O +ATOM 929 CB ILE A 129 -12.715 28.439 60.291 1.00 0.00 C +ATOM 930 CG1 ILE A 129 -12.210 27.072 60.739 1.00 0.00 C +ATOM 931 CG2 ILE A 129 -13.982 28.297 59.447 1.00 0.00 C +ATOM 932 CD1 ILE A 129 -11.926 26.156 59.554 1.00 0.00 C +ATOM 933 N LEU A 130 -12.387 31.131 58.224 1.00 0.00 N +ATOM 934 CA LEU A 130 -12.978 32.453 57.984 1.00 0.00 C +ATOM 935 C LEU A 130 -14.487 32.453 58.199 1.00 0.00 C +ATOM 936 O LEU A 130 -15.159 31.474 57.852 1.00 0.00 O +ATOM 937 CB LEU A 130 -12.703 32.919 56.558 1.00 0.00 C +ATOM 938 CG LEU A 130 -11.227 33.205 56.310 1.00 0.00 C +ATOM 939 CD1 LEU A 130 -10.955 33.468 54.832 1.00 0.00 C +ATOM 940 CD2 LEU A 130 -10.709 34.337 57.195 1.00 0.00 C +ATOM 941 N ALA A 131 -14.997 33.650 58.419 1.00 0.00 N +ATOM 942 CA ALA A 131 -16.437 33.863 58.570 1.00 0.00 C +ATOM 943 C ALA A 131 -17.100 34.009 57.206 1.00 0.00 C +ATOM 944 O ALA A 131 -16.400 34.079 56.189 1.00 0.00 O +ATOM 945 CB ALA A 131 -16.696 35.123 59.392 1.00 0.00 C +ATOM 946 N ASN A 132 -18.383 33.712 57.173 1.00 0.00 N +ATOM 947 CA ASN A 132 -19.145 33.828 55.929 1.00 0.00 C +ATOM 948 C ASN A 132 -19.131 35.256 55.392 1.00 0.00 C +ATOM 949 O ASN A 132 -19.009 36.191 56.195 1.00 0.00 O +ATOM 950 CB ASN A 132 -20.586 33.382 56.140 1.00 0.00 C +ATOM 951 CG ASN A 132 -21.288 33.366 54.787 1.00 0.00 C +ATOM 952 OD1 ASN A 132 -21.134 32.403 54.024 1.00 0.00 O +ATOM 953 ND2 ASN A 132 -21.919 34.485 54.465 1.00 0.00 N +ATOM 954 N ASN A 133 -18.778 35.329 54.116 1.00 0.00 N +ATOM 955 CA ASN A 133 -18.675 36.583 53.344 1.00 0.00 C +ATOM 956 C ASN A 133 -17.342 37.314 53.455 1.00 0.00 C +ATOM 957 O ASN A 133 -17.308 38.535 53.257 1.00 0.00 O +ATOM 958 CB ASN A 133 -19.832 37.549 53.595 1.00 0.00 C +ATOM 959 CG ASN A 133 -20.834 37.450 52.452 1.00 0.00 C +ATOM 960 OD1 ASN A 133 -21.906 36.849 52.606 1.00 0.00 O +ATOM 961 ND2 ASN A 133 -20.538 38.208 51.410 1.00 0.00 N +ATOM 962 N SER A 134 -16.384 36.645 54.080 1.00 0.00 N +ATOM 963 CA SER A 134 -15.014 37.180 54.182 1.00 0.00 C +ATOM 964 C SER A 134 -14.407 37.551 52.829 1.00 0.00 C +ATOM 965 O SER A 134 -14.514 36.787 51.861 1.00 0.00 O +ATOM 966 CB SER A 134 -14.087 36.214 54.917 1.00 0.00 C +ATOM 967 OG SER A 134 -14.505 36.101 56.273 1.00 0.00 O +ATOM 968 N PRO A 135 -13.912 38.781 52.776 1.00 0.00 N +ATOM 969 CA PRO A 135 -13.318 39.420 51.581 1.00 0.00 C +ATOM 970 C PRO A 135 -12.079 38.717 51.032 1.00 0.00 C +ATOM 971 O PRO A 135 -11.043 38.656 51.707 1.00 0.00 O +ATOM 972 CB PRO A 135 -12.959 40.840 52.012 1.00 0.00 C +ATOM 973 CG PRO A 135 -12.845 40.765 53.525 1.00 0.00 C +ATOM 974 CD PRO A 135 -13.882 39.721 53.915 1.00 0.00 C +ATOM 975 N CYS A 136 -12.313 37.952 49.976 1.00 0.00 N +ATOM 976 CA CYS A 136 -11.242 37.235 49.268 1.00 0.00 C +ATOM 977 C CYS A 136 -11.223 37.526 47.767 1.00 0.00 C +ATOM 978 O CYS A 136 -12.279 37.742 47.162 1.00 0.00 O +ATOM 979 CB CYS A 136 -11.396 35.730 49.465 1.00 0.00 C +ATOM 980 SG CYS A 136 -11.495 35.133 51.168 1.00 0.00 S +ATOM 981 N TYR A 137 -10.052 37.347 47.175 1.00 0.00 N +ATOM 982 CA TYR A 137 -9.815 37.512 45.730 1.00 0.00 C +ATOM 983 C TYR A 137 -9.212 36.265 45.089 1.00 0.00 C +ATOM 984 O TYR A 137 -8.407 35.571 45.721 1.00 0.00 O +ATOM 985 CB TYR A 137 -8.865 38.683 45.459 1.00 0.00 C +ATOM 986 CG TYR A 137 -9.557 40.056 45.510 1.00 0.00 C +ATOM 987 CD1 TYR A 137 -10.074 40.605 44.347 1.00 0.00 C +ATOM 988 CD2 TYR A 137 -9.622 40.766 46.698 1.00 0.00 C +ATOM 989 CE1 TYR A 137 -10.696 41.858 44.373 1.00 0.00 C +ATOM 990 CE2 TYR A 137 -10.242 42.021 46.735 1.00 0.00 C +ATOM 991 CZ TYR A 137 -10.780 42.563 45.571 1.00 0.00 C +ATOM 992 OH TYR A 137 -11.430 43.779 45.611 1.00 0.00 O +ATOM 993 N ILE A 138 -9.700 35.923 43.908 1.00 0.00 N +ATOM 994 CA ILE A 138 -9.100 34.822 43.144 1.00 0.00 C +ATOM 995 C ILE A 138 -8.389 35.341 41.899 1.00 0.00 C +ATOM 996 O ILE A 138 -8.832 36.343 41.327 1.00 0.00 O +ATOM 997 CB ILE A 138 -10.123 33.753 42.750 1.00 0.00 C +ATOM 998 CG1 ILE A 138 -9.445 32.544 42.102 1.00 0.00 C +ATOM 999 CG2 ILE A 138 -11.238 34.310 41.867 1.00 0.00 C +ATOM 1000 CD1 ILE A 138 -10.443 31.494 41.622 1.00 0.00 C +ATOM 1001 N THR A 139 -7.114 35.011 41.842 1.00 0.00 N +ATOM 1002 CA THR A 139 -6.277 35.404 40.710 1.00 0.00 C +ATOM 1003 C THR A 139 -5.812 34.211 39.884 1.00 0.00 C +ATOM 1004 O THR A 139 -5.716 33.093 40.404 1.00 0.00 O +ATOM 1005 CB THR A 139 -5.072 36.182 41.218 1.00 0.00 C +ATOM 1006 OG1 THR A 139 -4.374 35.362 42.147 1.00 0.00 O +ATOM 1007 CG2 THR A 139 -5.511 37.461 41.920 1.00 0.00 C +ATOM 1008 N GLY A 140 -5.615 34.462 38.601 1.00 0.00 N +ATOM 1009 CA GLY A 140 -5.155 33.431 37.662 1.00 0.00 C +ATOM 1010 C GLY A 140 -5.379 33.778 36.191 1.00 0.00 C +ATOM 1011 O GLY A 140 -5.990 34.803 35.863 1.00 0.00 O +ATOM 1012 N TRP A 141 -4.773 32.956 35.350 1.00 0.00 N +ATOM 1013 CA TRP A 141 -4.811 33.096 33.889 1.00 0.00 C +ATOM 1014 C TRP A 141 -5.777 32.114 33.240 1.00 0.00 C +ATOM 1015 O TRP A 141 -5.793 32.013 32.007 1.00 0.00 O +ATOM 1016 CB TRP A 141 -3.429 32.838 33.294 1.00 0.00 C +ATOM 1017 CG TRP A 141 -2.430 33.971 33.570 1.00 0.00 C +ATOM 1018 CD1 TRP A 141 -2.278 35.138 32.920 1.00 0.00 C +ATOM 1019 CD2 TRP A 141 -1.455 33.983 34.566 1.00 0.00 C +ATOM 1020 NE1 TRP A 141 -1.248 35.869 33.466 1.00 0.00 N +ATOM 1021 CE2 TRP A 141 -0.750 35.204 34.435 1.00 0.00 C +ATOM 1022 CE3 TRP A 141 -1.126 33.052 35.538 1.00 0.00 C +ATOM 1023 CZ2 TRP A 141 0.293 35.567 35.270 1.00 0.00 C +ATOM 1024 CZ3 TRP A 141 -0.064 33.409 36.380 1.00 0.00 C +ATOM 1025 CH2 TRP A 141 0.621 34.625 36.252 1.00 0.00 C +ATOM 1026 N GLY A 142 -6.779 31.735 34.017 1.00 0.00 N +ATOM 1027 CA GLY A 142 -7.784 30.763 33.568 1.00 0.00 C +ATOM 1028 C GLY A 142 -8.843 31.355 32.643 1.00 0.00 C +ATOM 1029 O GLY A 142 -8.700 32.498 32.188 1.00 0.00 O +ATOM 1030 N LEU A 143 -9.637 30.436 32.109 1.00 0.00 N +ATOM 1031 CA LEU A 143 -10.697 30.753 31.141 1.00 0.00 C +ATOM 1032 C LEU A 143 -11.613 31.878 31.621 1.00 0.00 C +ATOM 1033 O LEU A 143 -11.967 31.935 32.805 1.00 0.00 O +ATOM 1034 CB LEU A 143 -11.571 29.541 30.814 1.00 0.00 C +ATOM 1035 CG LEU A 143 -10.835 28.270 30.389 1.00 0.00 C +ATOM 1036 CD1 LEU A 143 -11.830 27.172 30.022 1.00 0.00 C +ATOM 1037 CD2 LEU A 143 -9.834 28.487 29.260 1.00 0.00 C +ATOM 1038 N THR A 144 -11.706 32.897 30.794 1.00 0.00 N +ATOM 1039 CA THR A 144 -12.560 34.051 31.096 1.00 0.00 C +ATOM 1040 C THR A 144 -14.045 33.737 30.932 1.00 0.00 C +ATOM 1041 O THR A 144 -14.890 34.595 31.217 1.00 0.00 O +ATOM 1042 CB THR A 144 -12.174 35.219 30.201 1.00 0.00 C +ATOM 1043 OG1 THR A 144 -12.340 34.817 28.846 1.00 0.00 O +ATOM 1044 CG2 THR A 144 -10.724 35.641 30.430 1.00 0.00 C +ATOM 1045 N ARG A 145 -14.282 32.694 30.156 1.00 0.00 N +ATOM 1046 CA ARG A 145 -15.615 32.127 29.884 1.00 0.00 C +ATOM 1047 C ARG A 145 -15.609 30.604 29.986 1.00 0.00 C +ATOM 1048 O ARG A 145 -14.556 29.978 29.821 1.00 0.00 O +ATOM 1049 CB ARG A 145 -16.055 32.486 28.463 1.00 0.00 C +ATOM 1050 CG ARG A 145 -16.693 33.867 28.307 1.00 0.00 C +ATOM 1051 CD ARG A 145 -18.158 33.892 28.746 1.00 0.00 C +ATOM 1052 NE ARG A 145 -18.952 34.629 27.748 1.00 0.00 N +ATOM 1053 CZ ARG A 145 -20.077 34.170 27.212 1.00 0.00 C +ATOM 1054 NH1 ARG A 145 -20.677 34.891 26.277 1.00 0.00 N +ATOM 1055 NH2 ARG A 145 -20.809 33.310 27.904 1.00 0.00 N +ATOM 1056 N THR A 147 -16.759 30.046 30.324 1.00 0.00 N +ATOM 1057 CA THR A 147 -16.934 28.590 30.312 1.00 0.00 C +ATOM 1058 C THR A 147 -16.792 28.065 28.885 1.00 0.00 C +ATOM 1059 O THR A 147 -17.320 28.702 27.963 1.00 0.00 O +ATOM 1060 CB THR A 147 -18.303 28.216 30.881 1.00 0.00 C +ATOM 1061 OG1 THR A 147 -18.380 28.641 32.241 1.00 0.00 O +ATOM 1062 CG2 THR A 147 -18.568 26.714 30.814 1.00 0.00 C +ATOM 1063 N ASN A 148 -15.754 27.251 28.722 1.00 0.00 N +ATOM 1064 CA ASN A 148 -15.318 26.674 27.438 1.00 0.00 C +ATOM 1065 C ASN A 148 -14.670 27.716 26.533 1.00 0.00 C +ATOM 1066 O ASN A 148 -14.884 27.697 25.315 1.00 0.00 O +ATOM 1067 CB ASN A 148 -16.439 25.950 26.689 1.00 0.00 C +ATOM 1068 CG ASN A 148 -16.799 24.649 27.402 1.00 0.00 C +ATOM 1069 OD1 ASN A 148 -15.918 23.978 27.954 1.00 0.00 O +ATOM 1070 ND2 ASN A 148 -18.096 24.431 27.533 1.00 0.00 N +ATOM 1071 N GLY A 149 -14.229 28.776 27.191 1.00 0.00 N +ATOM 1072 CA GLY A 149 -13.536 29.894 26.535 1.00 0.00 C +ATOM 1073 C GLY A 149 -12.025 29.690 26.455 1.00 0.00 C +ATOM 1074 O GLY A 149 -11.562 28.600 26.093 1.00 0.00 O +ATOM 1075 N GLN A 150 -11.311 30.802 26.501 1.00 0.00 N +ATOM 1076 CA GLN A 150 -9.846 30.800 26.405 1.00 0.00 C +ATOM 1077 C GLN A 150 -9.141 31.495 27.567 1.00 0.00 C +ATOM 1078 O GLN A 150 -9.784 32.197 28.360 1.00 0.00 O +ATOM 1079 CB GLN A 150 -9.418 31.430 25.084 1.00 0.00 C +ATOM 1080 CG GLN A 150 -10.023 32.820 24.902 1.00 0.00 C +ATOM 1081 CD GLN A 150 -9.620 33.374 23.538 1.00 0.00 C +ATOM 1082 OE1 GLN A 150 -10.003 34.499 23.192 1.00 0.00 O +ATOM 1083 NE2 GLN A 150 -9.110 32.480 22.706 1.00 0.00 N +ATOM 1084 N LEU A 151 -7.905 31.056 27.775 1.00 0.00 N +ATOM 1085 CA LEU A 151 -7.020 31.577 28.822 1.00 0.00 C +ATOM 1086 C LEU A 151 -6.785 33.074 28.665 1.00 0.00 C +ATOM 1087 O LEU A 151 -6.637 33.576 27.543 1.00 0.00 O +ATOM 1088 CB LEU A 151 -5.657 30.882 28.780 1.00 0.00 C +ATOM 1089 CG LEU A 151 -5.713 29.382 29.066 1.00 0.00 C +ATOM 1090 CD1 LEU A 151 -4.358 28.717 28.826 1.00 0.00 C +ATOM 1091 CD2 LEU A 151 -6.248 29.071 30.463 1.00 0.00 C +ATOM 1092 N ALA A 152 -6.732 33.746 29.796 1.00 0.00 N +ATOM 1093 CA ALA A 152 -6.444 35.182 29.817 1.00 0.00 C +ATOM 1094 C ALA A 152 -4.960 35.453 29.586 1.00 0.00 C +ATOM 1095 O ALA A 152 -4.144 34.569 29.876 1.00 0.00 O +ATOM 1096 CB ALA A 152 -6.845 35.752 31.172 1.00 0.00 C +ATOM 1097 N GLN A 153 -4.692 36.389 28.692 1.00 0.00 N +ATOM 1098 CA GLN A 153 -3.301 36.782 28.434 1.00 0.00 C +ATOM 1099 C GLN A 153 -2.648 37.403 29.663 1.00 0.00 C +ATOM 1100 O GLN A 153 -1.545 37.004 30.056 1.00 0.00 O +ATOM 1101 CB GLN A 153 -3.185 37.753 27.262 1.00 0.00 C +ATOM 1102 CG GLN A 153 -3.540 37.110 25.925 1.00 0.00 C +ATOM 1103 CD GLN A 153 -3.117 38.060 24.809 1.00 0.00 C +ATOM 1104 OE1 GLN A 153 -3.626 37.955 23.685 1.00 0.00 O +ATOM 1105 NE2 GLN A 153 -1.959 38.666 25.037 1.00 0.00 N +ATOM 1106 N THR A 154 -3.396 38.293 30.291 1.00 0.00 N +ATOM 1107 CA THR A 154 -2.954 38.985 31.507 1.00 0.00 C +ATOM 1108 C THR A 154 -3.647 38.451 32.755 1.00 0.00 C +ATOM 1109 O THR A 154 -4.838 38.121 32.696 1.00 0.00 O +ATOM 1110 CB THR A 154 -3.182 40.491 31.405 1.00 0.00 C +ATOM 1111 OG1 THR A 154 -4.580 40.757 31.339 1.00 0.00 O +ATOM 1112 CG2 THR A 154 -2.472 41.108 30.202 1.00 0.00 C +ATOM 1113 N LEU A 155 -2.976 38.659 33.876 1.00 0.00 N +ATOM 1114 CA LEU A 155 -3.413 38.165 35.190 1.00 0.00 C +ATOM 1115 C LEU A 155 -4.712 38.812 35.665 1.00 0.00 C +ATOM 1116 O LEU A 155 -4.839 40.042 35.591 1.00 0.00 O +ATOM 1117 CB LEU A 155 -2.302 38.390 36.218 1.00 0.00 C +ATOM 1118 CG LEU A 155 -2.572 37.701 37.557 1.00 0.00 C +ATOM 1119 CD1 LEU A 155 -2.754 36.195 37.398 1.00 0.00 C +ATOM 1120 CD2 LEU A 155 -1.488 38.017 38.586 1.00 0.00 C +ATOM 1121 N GLN A 156 -5.747 37.984 35.630 1.00 0.00 N +ATOM 1122 CA GLN A 156 -7.092 38.375 36.069 1.00 0.00 C +ATOM 1123 C GLN A 156 -7.326 38.143 37.559 1.00 0.00 C +ATOM 1124 O GLN A 156 -6.653 37.300 38.164 1.00 0.00 O +ATOM 1125 CB GLN A 156 -8.144 37.583 35.294 1.00 0.00 C +ATOM 1126 CG GLN A 156 -8.018 37.749 33.782 1.00 0.00 C +ATOM 1127 CD GLN A 156 -8.231 39.209 33.392 1.00 0.00 C +ATOM 1128 OE1 GLN A 156 -9.322 39.757 33.601 1.00 0.00 O +ATOM 1129 NE2 GLN A 156 -7.186 39.804 32.830 1.00 0.00 N +ATOM 1130 N GLN A 157 -8.056 39.081 38.147 1.00 0.00 N +ATOM 1131 CA GLN A 157 -8.508 39.012 39.544 1.00 0.00 C +ATOM 1132 C GLN A 157 -10.013 39.234 39.700 1.00 0.00 C +ATOM 1133 O GLN A 157 -10.602 40.057 38.988 1.00 0.00 O +ATOM 1134 CB GLN A 157 -7.744 39.987 40.441 1.00 0.00 C +ATOM 1135 CG GLN A 157 -7.867 41.440 39.989 1.00 0.00 C +ATOM 1136 CD GLN A 157 -7.321 42.358 41.080 1.00 0.00 C +ATOM 1137 OE1 GLN A 157 -6.155 42.769 41.020 1.00 0.00 O +ATOM 1138 NE2 GLN A 157 -8.257 42.916 41.833 1.00 0.00 N +ATOM 1139 N ALA A 158 -10.601 38.511 40.645 1.00 0.00 N +ATOM 1140 CA ALA A 158 -12.043 38.602 40.929 1.00 0.00 C +ATOM 1141 C ALA A 158 -12.394 38.527 42.413 1.00 0.00 C +ATOM 1142 O ALA A 158 -12.019 37.559 43.088 1.00 0.00 O +ATOM 1143 CB ALA A 158 -12.803 37.511 40.180 1.00 0.00 C +ATOM 1144 N TYR A 159 -13.335 39.385 42.790 1.00 0.00 N +ATOM 1145 CA TYR A 159 -13.852 39.457 44.162 1.00 0.00 C +ATOM 1146 C TYR A 159 -14.794 38.293 44.451 1.00 0.00 C +ATOM 1147 O TYR A 159 -15.812 38.143 43.760 1.00 0.00 O +ATOM 1148 CB TYR A 159 -14.578 40.784 44.405 1.00 0.00 C +ATOM 1149 CG TYR A 159 -14.959 40.967 45.885 1.00 0.00 C +ATOM 1150 CD1 TYR A 159 -13.967 40.982 46.852 1.00 0.00 C +ATOM 1151 CD2 TYR A 159 -16.285 41.138 46.253 1.00 0.00 C +ATOM 1152 CE1 TYR A 159 -14.296 41.152 48.201 1.00 0.00 C +ATOM 1153 CE2 TYR A 159 -16.625 41.308 47.602 1.00 0.00 C +ATOM 1154 CZ TYR A 159 -15.627 41.314 48.576 1.00 0.00 C +ATOM 1155 OH TYR A 159 -15.967 41.288 49.913 1.00 0.00 O +ATOM 1156 N LEU A 160 -14.184 37.301 45.076 1.00 0.00 N +ATOM 1157 CA LEU A 160 -14.864 36.065 45.495 1.00 0.00 C +ATOM 1158 C LEU A 160 -14.951 35.929 47.015 1.00 0.00 C +ATOM 1159 O LEU A 160 -14.050 35.333 47.615 1.00 0.00 O +ATOM 1160 CB LEU A 160 -14.077 34.868 44.959 1.00 0.00 C +ATOM 1161 CG LEU A 160 -14.835 34.066 43.901 1.00 0.00 C +ATOM 1162 CD1 LEU A 160 -15.290 34.920 42.721 1.00 0.00 C +ATOM 1163 CD2 LEU A 160 -14.049 32.839 43.444 1.00 0.00 C +ATOM 1164 N PRO A 161 -15.930 36.581 47.638 1.00 0.00 N +ATOM 1165 CA PRO A 161 -16.243 36.390 49.070 1.00 0.00 C +ATOM 1166 C PRO A 161 -16.636 34.956 49.423 1.00 0.00 C +ATOM 1167 O PRO A 161 -17.361 34.303 48.662 1.00 0.00 O +ATOM 1168 CB PRO A 161 -17.384 37.353 49.373 1.00 0.00 C +ATOM 1169 CG PRO A 161 -18.091 37.519 48.041 1.00 0.00 C +ATOM 1170 CD PRO A 161 -16.976 37.415 47.006 1.00 0.00 C +ATOM 1171 N THR A 162 -16.419 34.627 50.685 1.00 0.00 N +ATOM 1172 CA THR A 162 -16.590 33.253 51.175 1.00 0.00 C +ATOM 1173 C THR A 162 -18.014 32.841 51.535 1.00 0.00 C +ATOM 1174 O THR A 162 -18.892 33.685 51.750 1.00 0.00 O +ATOM 1175 CB THR A 162 -15.736 33.019 52.412 1.00 0.00 C +ATOM 1176 OG1 THR A 162 -16.171 33.916 53.423 1.00 0.00 O +ATOM 1177 CG2 THR A 162 -14.247 33.211 52.145 1.00 0.00 C +ATOM 1178 N VAL A 163 -18.232 31.561 51.294 1.00 0.00 N +ATOM 1179 CA VAL A 163 -19.434 30.814 51.672 1.00 0.00 C +ATOM 1180 C VAL A 163 -19.033 29.702 52.637 1.00 0.00 C +ATOM 1181 O VAL A 163 -18.113 28.941 52.307 1.00 0.00 O +ATOM 1182 CB VAL A 163 -20.049 30.173 50.427 1.00 0.00 C +ATOM 1183 CG1 VAL A 163 -21.308 29.372 50.756 1.00 0.00 C +ATOM 1184 CG2 VAL A 163 -20.305 31.187 49.315 1.00 0.00 C +ATOM 1185 N ASP A 164 -19.413 29.866 53.903 1.00 0.00 N +ATOM 1186 CA ASP A 164 -19.037 28.871 54.920 1.00 0.00 C +ATOM 1187 C ASP A 164 -19.526 27.456 54.626 1.00 0.00 C +ATOM 1188 O ASP A 164 -20.580 27.310 53.993 1.00 0.00 O +ATOM 1189 CB ASP A 164 -19.372 29.291 56.355 1.00 0.00 C +ATOM 1190 CG ASP A 164 -20.873 29.484 56.574 1.00 0.00 C +ATOM 1191 OD1 ASP A 164 -21.690 28.767 55.985 1.00 0.00 O +ATOM 1192 OD2 ASP A 164 -21.241 30.296 57.431 1.00 0.00 O +ATOM 1193 N TYR A 165 -19.024 26.556 55.452 1.00 0.00 N +ATOM 1194 CA TYR A 165 -19.282 25.116 55.330 1.00 0.00 C +ATOM 1195 C TYR A 165 -20.763 24.779 55.446 1.00 0.00 C +ATOM 1196 O TYR A 165 -21.326 24.280 54.464 1.00 0.00 O +ATOM 1197 CB TYR A 165 -18.498 24.330 56.382 1.00 0.00 C +ATOM 1198 CG TYR A 165 -18.615 22.822 56.114 1.00 0.00 C +ATOM 1199 CD1 TYR A 165 -18.267 22.325 54.869 1.00 0.00 C +ATOM 1200 CD2 TYR A 165 -19.078 21.963 57.100 1.00 0.00 C +ATOM 1201 CE1 TYR A 165 -18.382 20.960 54.599 1.00 0.00 C +ATOM 1202 CE2 TYR A 165 -19.192 20.590 56.840 1.00 0.00 C +ATOM 1203 CZ TYR A 165 -18.844 20.094 55.584 1.00 0.00 C +ATOM 1204 OH TYR A 165 -18.966 18.748 55.306 1.00 0.00 O +ATOM 1205 N ALA A 166 -21.383 25.507 56.362 1.00 0.00 N +ATOM 1206 CA ALA A 166 -22.796 25.326 56.722 1.00 0.00 C +ATOM 1207 C ALA A 166 -23.723 25.504 55.526 1.00 0.00 C +ATOM 1208 O ALA A 166 -24.289 24.509 55.050 1.00 0.00 O +ATOM 1209 CB ALA A 166 -23.185 26.323 57.811 1.00 0.00 C +ATOM 1210 N ILE A 167 -23.349 26.521 54.779 1.00 0.00 N +ATOM 1211 CA ILE A 167 -24.113 26.903 53.593 1.00 0.00 C +ATOM 1212 C ILE A 167 -23.649 26.174 52.339 1.00 0.00 C +ATOM 1213 O ILE A 167 -24.479 25.552 51.670 1.00 0.00 O +ATOM 1214 CB ILE A 167 -24.045 28.413 53.374 1.00 0.00 C +ATOM 1215 CG1 ILE A 167 -24.602 29.188 54.565 1.00 0.00 C +ATOM 1216 CG2 ILE A 167 -24.725 28.836 52.075 1.00 0.00 C +ATOM 1217 CD1 ILE A 167 -24.519 30.697 54.347 1.00 0.00 C +ATOM 1218 N CYS A 168 -22.360 25.894 52.298 1.00 0.00 N +ATOM 1219 CA CYS A 168 -21.793 25.293 51.084 1.00 0.00 C +ATOM 1220 C CYS A 168 -22.082 23.799 50.989 1.00 0.00 C +ATOM 1221 O CYS A 168 -22.354 23.288 49.895 1.00 0.00 O +ATOM 1222 CB CYS A 168 -20.292 25.542 50.998 1.00 0.00 C +ATOM 1223 SG CYS A 168 -19.571 25.199 49.380 1.00 0.00 S +ATOM 1224 N SER A 169 -22.463 23.271 52.131 1.00 0.00 N +ATOM 1225 CA SER A 169 -22.803 21.852 52.207 1.00 0.00 C +ATOM 1226 C SER A 169 -24.308 21.642 52.122 1.00 0.00 C +ATOM 1227 O SER A 169 -24.802 20.530 52.340 1.00 0.00 O +ATOM 1228 CB SER A 169 -22.261 21.222 53.484 1.00 0.00 C +ATOM 1229 OG SER A 169 -22.870 21.865 54.595 1.00 0.00 O +ATOM 1230 N SER A 170 -24.996 22.713 51.761 1.00 0.00 N +ATOM 1231 CA SER A 170 -26.441 22.615 51.524 1.00 0.00 C +ATOM 1232 C SER A 170 -26.720 22.000 50.159 1.00 0.00 C +ATOM 1233 O SER A 170 -25.831 22.012 49.298 1.00 0.00 O +ATOM 1234 CB SER A 170 -27.125 23.978 51.596 1.00 0.00 C +ATOM 1235 OG SER A 170 -26.910 24.550 52.882 1.00 0.00 O +ATOM 1236 N SER A 171A -27.709 21.128 50.167 1.00 0.00 N +ATOM 1237 CA SER A 171A -28.184 20.450 48.955 1.00 0.00 C +ATOM 1238 C SER A 171A -28.496 21.434 47.830 1.00 0.00 C +ATOM 1239 O SER A 171A -28.281 21.121 46.652 1.00 0.00 O +ATOM 1240 CB SER A 171A -29.428 19.631 49.277 1.00 0.00 C +ATOM 1241 OG SER A 171A -30.432 20.507 49.774 1.00 0.00 O +ATOM 1242 N SER A 171B -28.775 22.662 48.232 1.00 0.00 N +ATOM 1243 CA SER A 171B -29.036 23.770 47.306 1.00 0.00 C +ATOM 1244 C SER A 171B -27.742 24.304 46.702 1.00 0.00 C +ATOM 1245 O SER A 171B -27.732 24.802 45.569 1.00 0.00 O +ATOM 1246 CB SER A 171B -29.747 24.903 48.039 1.00 0.00 C +ATOM 1247 OG SER A 171B -29.990 25.963 47.120 1.00 0.00 O +ATOM 1248 N TYR A 171 -26.658 23.946 47.373 1.00 0.00 N +ATOM 1249 CA TYR A 171 -25.294 24.307 46.957 1.00 0.00 C +ATOM 1250 C TYR A 171 -24.521 23.089 46.448 1.00 0.00 C +ATOM 1251 O TYR A 171 -25.109 22.291 45.708 1.00 0.00 O +ATOM 1252 CB TYR A 171 -24.523 25.022 48.073 1.00 0.00 C +ATOM 1253 CG TYR A 171 -24.910 26.504 48.243 1.00 0.00 C +ATOM 1254 CD1 TYR A 171 -26.158 26.860 48.734 1.00 0.00 C +ATOM 1255 CD2 TYR A 171 -23.984 27.491 47.938 1.00 0.00 C +ATOM 1256 CE1 TYR A 171 -26.499 28.208 48.892 1.00 0.00 C +ATOM 1257 CE2 TYR A 171 -24.315 28.843 48.095 1.00 0.00 C +ATOM 1258 CZ TYR A 171 -25.575 29.201 48.570 1.00 0.00 C +ATOM 1259 OH TYR A 171 -25.995 30.511 48.468 1.00 0.00 O +ATOM 1260 N TRP A 172 -23.501 22.709 47.203 1.00 0.00 N +ATOM 1261 CA TRP A 172 -22.639 21.578 46.808 1.00 0.00 C +ATOM 1262 C TRP A 172 -22.999 20.231 47.429 1.00 0.00 C +ATOM 1263 O TRP A 172 -22.483 19.192 46.994 1.00 0.00 O +ATOM 1264 CB TRP A 172 -21.160 21.869 47.058 1.00 0.00 C +ATOM 1265 CG TRP A 172 -20.529 22.687 45.922 1.00 0.00 C +ATOM 1266 CD1 TRP A 172 -20.212 23.996 45.869 1.00 0.00 C +ATOM 1267 CD2 TRP A 172 -20.134 22.170 44.689 1.00 0.00 C +ATOM 1268 NE1 TRP A 172 -19.646 24.304 44.647 1.00 0.00 N +ATOM 1269 CE2 TRP A 172 -19.592 23.243 43.944 1.00 0.00 C +ATOM 1270 CE3 TRP A 172 -20.199 20.884 44.174 1.00 0.00 C +ATOM 1271 CZ2 TRP A 172 -19.092 23.096 42.661 1.00 0.00 C +ATOM 1272 CZ3 TRP A 172 -19.700 20.728 42.875 1.00 0.00 C +ATOM 1273 CH2 TRP A 172 -19.164 21.797 42.144 1.00 0.00 C +ATOM 1274 N GLY A 173 -23.670 20.293 48.564 1.00 0.00 N +ATOM 1275 CA GLY A 173 -24.036 19.064 49.276 1.00 0.00 C +ATOM 1276 C GLY A 173 -22.850 18.467 50.029 1.00 0.00 C +ATOM 1277 O GLY A 173 -21.946 19.208 50.431 1.00 0.00 O +ATOM 1278 N SER A 174 -22.686 17.173 49.871 1.00 0.00 N +ATOM 1279 CA SER A 174 -21.626 16.457 50.588 1.00 0.00 C +ATOM 1280 C SER A 174 -20.326 16.376 49.797 1.00 0.00 C +ATOM 1281 O SER A 174 -19.444 15.587 50.154 1.00 0.00 O +ATOM 1282 CB SER A 174 -22.091 15.045 50.920 1.00 0.00 C +ATOM 1283 OG SER A 174 -22.331 14.354 49.700 1.00 0.00 O +ATOM 1284 N THR A 175 -20.362 16.958 48.611 1.00 0.00 N +ATOM 1285 CA THR A 175 -19.186 16.976 47.726 1.00 0.00 C +ATOM 1286 C THR A 175 -18.035 17.767 48.338 1.00 0.00 C +ATOM 1287 O THR A 175 -16.885 17.308 48.330 1.00 0.00 O +ATOM 1288 CB THR A 175 -19.561 17.575 46.372 1.00 0.00 C +ATOM 1289 OG1 THR A 175 -20.599 16.791 45.795 1.00 0.00 O +ATOM 1290 CG2 THR A 175 -18.377 17.634 45.407 1.00 0.00 C +ATOM 1291 N VAL A 176 -18.442 18.695 49.181 1.00 0.00 N +ATOM 1292 CA VAL A 176 -17.505 19.585 49.870 1.00 0.00 C +ATOM 1293 C VAL A 176 -17.271 19.175 51.321 1.00 0.00 C +ATOM 1294 O VAL A 176 -18.183 18.620 51.948 1.00 0.00 O +ATOM 1295 CB VAL A 176 -17.981 21.037 49.764 1.00 0.00 C +ATOM 1296 CG1 VAL A 176 -19.464 21.199 50.076 1.00 0.00 C +ATOM 1297 CG2 VAL A 176 -17.115 22.028 50.538 1.00 0.00 C +ATOM 1298 N LYS A 177 -15.993 18.978 51.596 1.00 0.00 N +ATOM 1299 CA LYS A 177 -15.473 18.607 52.917 1.00 0.00 C +ATOM 1300 C LYS A 177 -15.038 19.845 53.695 1.00 0.00 C +ATOM 1301 O LYS A 177 -14.907 20.922 53.102 1.00 0.00 O +ATOM 1302 CB LYS A 177 -14.252 17.709 52.735 1.00 0.00 C +ATOM 1303 CG LYS A 177 -14.542 16.524 51.818 1.00 0.00 C +ATOM 1304 CD LYS A 177 -15.591 15.578 52.396 1.00 0.00 C +ATOM 1305 CE LYS A 177 -16.040 14.546 51.366 1.00 0.00 C +ATOM 1306 NZ LYS A 177 -16.636 15.234 50.212 1.00 0.00 N +ATOM 1307 N ASN A 178 -15.072 19.729 55.015 1.00 0.00 N +ATOM 1308 CA ASN A 178 -14.702 20.817 55.937 1.00 0.00 C +ATOM 1309 C ASN A 178 -13.307 21.390 55.681 1.00 0.00 C +ATOM 1310 O ASN A 178 -13.135 22.616 55.701 1.00 0.00 O +ATOM 1311 CB ASN A 178 -14.808 20.338 57.383 1.00 0.00 C +ATOM 1312 CG ASN A 178 -14.492 21.508 58.309 1.00 0.00 C +ATOM 1313 OD1 ASN A 178 -13.609 21.401 59.170 1.00 0.00 O +ATOM 1314 ND2 ASN A 178 -14.977 22.666 57.893 1.00 0.00 N +ATOM 1315 N SER A 179 -12.540 20.574 54.978 1.00 0.00 N +ATOM 1316 CA SER A 179 -11.167 20.884 54.561 1.00 0.00 C +ATOM 1317 C SER A 179 -11.133 21.759 53.311 1.00 0.00 C +ATOM 1318 O SER A 179 -10.144 21.731 52.567 1.00 0.00 O +ATOM 1319 CB SER A 179 -10.436 19.584 54.245 1.00 0.00 C +ATOM 1320 OG SER A 179 -11.085 18.961 53.141 1.00 0.00 O +ATOM 1321 N MET A 180 -12.318 22.207 52.929 1.00 0.00 N +ATOM 1322 CA MET A 180 -12.475 23.077 51.755 1.00 0.00 C +ATOM 1323 C MET A 180 -13.059 24.448 52.090 1.00 0.00 C +ATOM 1324 O MET A 180 -13.528 24.660 53.215 1.00 0.00 O +ATOM 1325 CB MET A 180 -13.366 22.412 50.707 1.00 0.00 C +ATOM 1326 CG MET A 180 -12.834 21.056 50.249 1.00 0.00 C +ATOM 1327 SD MET A 180 -13.867 20.201 49.039 1.00 0.00 S +ATOM 1328 CE MET A 180 -12.923 18.674 48.881 1.00 0.00 C +ATOM 1329 N VAL A 181 -12.736 25.405 51.232 1.00 0.00 N +ATOM 1330 CA VAL A 181 -13.268 26.775 51.309 1.00 0.00 C +ATOM 1331 C VAL A 181 -14.093 27.086 50.063 1.00 0.00 C +ATOM 1332 O VAL A 181 -13.805 26.522 49.001 1.00 0.00 O +ATOM 1333 CB VAL A 181 -12.119 27.786 51.384 1.00 0.00 C +ATOM 1334 CG1 VAL A 181 -12.614 29.218 51.584 1.00 0.00 C +ATOM 1335 CG2 VAL A 181 -11.093 27.421 52.450 1.00 0.00 C +ATOM 1336 N CYS A 182 -15.283 27.623 50.274 1.00 0.00 N +ATOM 1337 CA CYS A 182 -16.116 28.036 49.141 1.00 0.00 C +ATOM 1338 C CYS A 182 -16.202 29.554 49.027 1.00 0.00 C +ATOM 1339 O CYS A 182 -16.042 30.238 50.044 1.00 0.00 O +ATOM 1340 CB CYS A 182 -17.521 27.461 49.260 1.00 0.00 C +ATOM 1341 SG CYS A 182 -17.603 25.680 49.529 1.00 0.00 S +ATOM 1342 N ALA A 183 -15.972 30.009 47.807 1.00 0.00 N +ATOM 1343 CA ALA A 183 -16.038 31.438 47.483 1.00 0.00 C +ATOM 1344 C ALA A 183 -16.749 31.739 46.166 1.00 0.00 C +ATOM 1345 O ALA A 183 -16.548 31.036 45.167 1.00 0.00 O +ATOM 1346 CB ALA A 183 -14.641 32.053 47.472 1.00 0.00 C +ATOM 1347 N GLY A 184 -17.661 32.698 46.239 1.00 0.00 N +ATOM 1348 CA GLY A 184 -18.428 33.162 45.073 1.00 0.00 C +ATOM 1349 C GLY A 184 -19.789 32.482 44.942 1.00 0.00 C +ATOM 1350 O GLY A 184 -20.593 32.517 45.883 1.00 0.00 O +ATOM 1351 N GLY A 185 -20.115 32.128 43.711 1.00 0.00 N +ATOM 1352 CA GLY A 185 -21.363 31.420 43.398 1.00 0.00 C +ATOM 1353 C GLY A 185 -22.471 32.352 42.920 1.00 0.00 C +ATOM 1354 O GLY A 185 -23.654 31.995 43.007 1.00 0.00 O +ATOM 1355 N ASP A 186 -22.095 33.613 42.752 1.00 0.00 N +ATOM 1356 CA ASP A 186 -23.022 34.658 42.284 1.00 0.00 C +ATOM 1357 C ASP A 186 -23.513 34.430 40.856 1.00 0.00 C +ATOM 1358 O ASP A 186 -24.315 35.216 40.338 1.00 0.00 O +ATOM 1359 CB ASP A 186 -22.418 36.060 42.420 1.00 0.00 C +ATOM 1360 CG ASP A 186 -21.202 36.261 41.511 1.00 0.00 C +ATOM 1361 OD1 ASP A 186 -20.694 37.388 41.452 1.00 0.00 O +ATOM 1362 OD2 ASP A 186 -20.615 35.278 41.042 1.00 0.00 O +ATOM 1363 N GLY A 187 -22.781 33.573 40.173 1.00 0.00 N +ATOM 1364 CA GLY A 187 -23.098 33.207 38.788 1.00 0.00 C +ATOM 1365 C GLY A 187 -22.420 34.121 37.774 1.00 0.00 C +ATOM 1366 O GLY A 187 -22.666 33.997 36.567 1.00 0.00 O +ATOM 1367 N VAL A 188 -21.808 35.171 38.293 1.00 0.00 N +ATOM 1368 CA VAL A 188 -21.107 36.134 37.432 1.00 0.00 C +ATOM 1369 C VAL A 188 -19.592 35.969 37.487 1.00 0.00 C +ATOM 1370 O VAL A 188 -18.954 35.699 36.461 1.00 0.00 O +ATOM 1371 CB VAL A 188 -21.482 37.562 37.823 1.00 0.00 C +ATOM 1372 CG1 VAL A 188 -20.667 38.606 37.060 1.00 0.00 C +ATOM 1373 CG2 VAL A 188 -22.983 37.811 37.692 1.00 0.00 C +ATOM 1374 N ARG A 188A -19.127 35.782 38.709 1.00 0.00 N +ATOM 1375 CA ARG A 188A -17.697 35.653 39.001 1.00 0.00 C +ATOM 1376 C ARG A 188A -17.326 34.281 39.553 1.00 0.00 C +ATOM 1377 O ARG A 188A -17.993 33.786 40.471 1.00 0.00 O +ATOM 1378 CB ARG A 188A -17.294 36.715 40.018 1.00 0.00 C +ATOM 1379 CG ARG A 188A -17.497 38.129 39.484 1.00 0.00 C +ATOM 1380 CD ARG A 188A -17.141 39.183 40.528 1.00 0.00 C +ATOM 1381 NE ARG A 188A -18.101 39.137 41.639 1.00 0.00 N +ATOM 1382 CZ ARG A 188A -18.520 40.232 42.254 1.00 0.00 C +ATOM 1383 NH1 ARG A 188A -19.413 40.116 43.224 1.00 0.00 N +ATOM 1384 NH2 ARG A 188A -17.758 41.315 42.212 1.00 0.00 N +ATOM 1385 N SER A 189 -16.204 33.765 39.069 1.00 0.00 N +ATOM 1386 CA SER A 189 -15.667 32.479 39.535 1.00 0.00 C +ATOM 1387 C SER A 189 -14.255 32.200 39.034 1.00 0.00 C +ATOM 1388 O SER A 189 -13.799 32.852 38.087 1.00 0.00 O +ATOM 1389 CB SER A 189 -16.539 31.330 39.035 1.00 0.00 C +ATOM 1390 OG SER A 189 -16.363 31.196 37.628 1.00 0.00 O +ATOM 1391 N GLY A 190 -13.882 30.966 39.316 1.00 0.00 N +ATOM 1392 CA GLY A 190 -12.648 30.346 38.829 1.00 0.00 C +ATOM 1393 C GLY A 190 -12.992 29.379 37.702 1.00 0.00 C +ATOM 1394 O GLY A 190 -14.180 29.102 37.496 1.00 0.00 O +ATOM 1395 N CYS A 191 -12.034 29.175 36.816 1.00 0.00 N +ATOM 1396 CA CYS A 191 -12.243 28.329 35.635 1.00 0.00 C +ATOM 1397 C CYS A 191 -10.970 27.571 35.261 1.00 0.00 C +ATOM 1398 O CYS A 191 -10.039 27.548 36.078 1.00 0.00 O +ATOM 1399 CB CYS A 191 -12.684 29.247 34.494 1.00 0.00 C +ATOM 1400 SG CYS A 191 -13.863 28.568 33.306 1.00 0.00 S +ATOM 1401 N GLN A 192 -11.130 26.644 34.322 1.00 0.00 N +ATOM 1402 CA GLN A 192 -10.012 25.856 33.784 1.00 0.00 C +ATOM 1403 C GLN A 192 -8.750 26.675 33.523 1.00 0.00 C +ATOM 1404 O GLN A 192 -8.804 27.692 32.822 1.00 0.00 O +ATOM 1405 CB GLN A 192 -10.397 25.091 32.518 1.00 0.00 C +ATOM 1406 CG GLN A 192 -11.297 23.884 32.784 1.00 0.00 C +ATOM 1407 CD GLN A 192 -12.677 24.332 33.254 1.00 0.00 C +ATOM 1408 OE1 GLN A 192 -13.237 25.276 32.683 1.00 0.00 O +ATOM 1409 NE2 GLN A 192 -13.328 23.419 33.958 1.00 0.00 N +ATOM 1410 N GLY A 193 -7.783 26.436 34.385 1.00 0.00 N +ATOM 1411 CA GLY A 193 -6.474 27.089 34.302 1.00 0.00 C +ATOM 1412 C GLY A 193 -6.078 27.771 35.606 1.00 0.00 C +ATOM 1413 O GLY A 193 -4.928 28.208 35.746 1.00 0.00 O +ATOM 1414 N ASP A 194 -7.101 28.152 36.356 1.00 0.00 N +ATOM 1415 CA ASP A 194 -6.895 28.821 37.648 1.00 0.00 C +ATOM 1416 C ASP A 194 -6.380 27.891 38.741 1.00 0.00 C +ATOM 1417 O ASP A 194 -6.062 28.378 39.835 1.00 0.00 O +ATOM 1418 CB ASP A 194 -8.175 29.500 38.130 1.00 0.00 C +ATOM 1419 CG ASP A 194 -8.533 30.633 37.174 1.00 0.00 C +ATOM 1420 OD1 ASP A 194 -7.627 31.352 36.737 1.00 0.00 O +ATOM 1421 OD2 ASP A 194 -9.689 30.723 36.748 1.00 0.00 O +ATOM 1422 N SER A 195 -6.651 26.604 38.533 1.00 0.00 N +ATOM 1423 CA SER A 195 -6.289 25.523 39.474 1.00 0.00 C +ATOM 1424 C SER A 195 -4.940 25.680 40.163 1.00 0.00 C +ATOM 1425 O SER A 195 -3.922 25.926 39.513 1.00 0.00 O +ATOM 1426 CB SER A 195 -6.335 24.137 38.837 1.00 0.00 C +ATOM 1427 OG SER A 195 -7.669 23.561 38.722 1.00 0.00 O +ATOM 1428 N GLY A 196 -4.936 25.352 41.434 1.00 0.00 N +ATOM 1429 CA GLY A 196 -3.712 25.365 42.233 1.00 0.00 C +ATOM 1430 C GLY A 196 -3.349 26.759 42.719 1.00 0.00 C +ATOM 1431 O GLY A 196 -2.303 26.925 43.360 1.00 0.00 O +ATOM 1432 N GLY A 197 -3.951 27.719 42.040 1.00 0.00 N +ATOM 1433 CA GLY A 197 -3.742 29.138 42.337 1.00 0.00 C +ATOM 1434 C GLY A 197 -4.634 29.659 43.459 1.00 0.00 C +ATOM 1435 O GLY A 197 -5.291 28.872 44.152 1.00 0.00 O +ATOM 1436 N PRO A 198 -4.295 30.867 43.856 1.00 0.00 N +ATOM 1437 CA PRO A 198 -4.460 31.300 45.258 1.00 0.00 C +ATOM 1438 C PRO A 198 -5.687 32.177 45.497 1.00 0.00 C +ATOM 1439 O PRO A 198 -6.256 32.711 44.535 1.00 0.00 O +ATOM 1440 CB PRO A 198 -3.198 32.083 45.596 1.00 0.00 C +ATOM 1441 CG PRO A 198 -2.723 32.625 44.262 1.00 0.00 C +ATOM 1442 CD PRO A 198 -3.140 31.566 43.253 1.00 0.00 C +ATOM 1443 N LEU A 199 -6.299 31.894 46.637 1.00 0.00 N +ATOM 1444 CA LEU A 199 -7.437 32.667 47.151 1.00 0.00 C +ATOM 1445 C LEU A 199 -6.999 33.583 48.291 1.00 0.00 C +ATOM 1446 O LEU A 199 -6.600 33.090 49.356 1.00 0.00 O +ATOM 1447 CB LEU A 199 -8.544 31.744 47.654 1.00 0.00 C +ATOM 1448 CG LEU A 199 -9.767 32.520 48.143 1.00 0.00 C +ATOM 1449 CD1 LEU A 199 -10.504 33.210 46.996 1.00 0.00 C +ATOM 1450 CD2 LEU A 199 -10.709 31.642 48.961 1.00 0.00 C +ATOM 1451 N HIS A 200 -6.676 34.796 47.878 1.00 0.00 N +ATOM 1452 CA HIS A 200 -6.192 35.858 48.767 1.00 0.00 C +ATOM 1453 C HIS A 200 -7.309 36.438 49.625 1.00 0.00 C +ATOM 1454 O HIS A 200 -8.054 37.300 49.147 1.00 0.00 O +ATOM 1455 CB HIS A 200 -5.633 37.006 47.932 1.00 0.00 C +ATOM 1456 CG HIS A 200 -4.619 36.524 46.886 1.00 0.00 C +ATOM 1457 ND1 HIS A 200 -3.319 36.246 47.201 1.00 0.00 N +ATOM 1458 CD2 HIS A 200 -4.789 36.321 45.569 1.00 0.00 C +ATOM 1459 CE1 HIS A 200 -2.685 35.859 46.054 1.00 0.00 C +ATOM 1460 NE2 HIS A 200 -3.602 35.907 45.041 1.00 0.00 N +ATOM 1461 N CYS A 201 -7.188 36.237 50.922 1.00 0.00 N +ATOM 1462 CA CYS A 201 -8.180 36.763 51.868 1.00 0.00 C +ATOM 1463 C CYS A 201 -7.609 37.810 52.825 1.00 0.00 C +ATOM 1464 O CYS A 201 -6.513 37.639 53.376 1.00 0.00 O +ATOM 1465 CB CYS A 201 -8.815 35.618 52.645 1.00 0.00 C +ATOM 1466 SG CYS A 201 -9.670 34.369 51.655 1.00 0.00 S +ATOM 1467 N LEU A 202 -8.376 38.877 52.991 1.00 0.00 N +ATOM 1468 CA LEU A 202 -7.975 40.044 53.790 1.00 0.00 C +ATOM 1469 C LEU A 202 -8.280 39.863 55.276 1.00 0.00 C +ATOM 1470 O LEU A 202 -9.455 39.775 55.655 1.00 0.00 O +ATOM 1471 CB LEU A 202 -8.685 41.291 53.250 1.00 0.00 C +ATOM 1472 CG LEU A 202 -8.063 42.621 53.695 1.00 0.00 C +ATOM 1473 CD1 LEU A 202 -8.541 43.154 55.046 1.00 0.00 C +ATOM 1474 CD2 LEU A 202 -6.549 42.680 53.510 1.00 0.00 C +ATOM 1475 N VAL A 203 -7.249 39.438 55.988 1.00 0.00 N +ATOM 1476 CA VAL A 203 -7.295 39.281 57.449 1.00 0.00 C +ATOM 1477 C VAL A 203 -6.252 40.169 58.130 1.00 0.00 C +ATOM 1478 O VAL A 203 -5.056 40.021 57.848 1.00 0.00 O +ATOM 1479 CB VAL A 203 -7.062 37.812 57.817 1.00 0.00 C +ATOM 1480 CG1 VAL A 203 -7.144 37.554 59.322 1.00 0.00 C +ATOM 1481 CG2 VAL A 203 -8.004 36.880 57.058 1.00 0.00 C +ATOM 1482 N ASN A 204 -6.697 40.854 59.182 1.00 0.00 N +ATOM 1483 CA ASN A 204 -5.897 41.790 59.991 1.00 0.00 C +ATOM 1484 C ASN A 204 -5.081 42.774 59.159 1.00 0.00 C +ATOM 1485 O ASN A 204 -3.854 42.834 59.311 1.00 0.00 O +ATOM 1486 CB ASN A 204 -4.991 41.061 60.984 1.00 0.00 C +ATOM 1487 CG ASN A 204 -5.842 40.362 62.041 1.00 0.00 C +ATOM 1488 OD1 ASN A 204 -5.579 39.206 62.394 1.00 0.00 O +ATOM 1489 ND2 ASN A 204 -6.869 41.067 62.489 1.00 0.00 N +ATOM 1490 N GLY A 205 -5.709 43.174 58.067 1.00 0.00 N +ATOM 1491 CA GLY A 205 -5.157 44.163 57.133 1.00 0.00 C +ATOM 1492 C GLY A 205 -4.110 43.563 56.201 1.00 0.00 C +ATOM 1493 O GLY A 205 -3.296 44.295 55.624 1.00 0.00 O +ATOM 1494 N GLN A 206 -3.997 42.248 56.279 1.00 0.00 N +ATOM 1495 CA GLN A 206 -3.004 41.513 55.485 1.00 0.00 C +ATOM 1496 C GLN A 206 -3.621 40.412 54.623 1.00 0.00 C +ATOM 1497 O GLN A 206 -4.599 39.779 55.035 1.00 0.00 O +ATOM 1498 CB GLN A 206 -1.994 40.898 56.453 1.00 0.00 C +ATOM 1499 CG GLN A 206 -0.800 40.249 55.757 1.00 0.00 C +ATOM 1500 CD GLN A 206 0.038 39.528 56.807 1.00 0.00 C +ATOM 1501 OE1 GLN A 206 1.268 39.667 56.837 1.00 0.00 O +ATOM 1502 NE2 GLN A 206 -0.638 38.666 57.549 1.00 0.00 N +ATOM 1503 N TYR A 207 -3.199 40.371 53.368 1.00 0.00 N +ATOM 1504 CA TYR A 207 -3.616 39.319 52.431 1.00 0.00 C +ATOM 1505 C TYR A 207 -2.841 38.017 52.613 1.00 0.00 C +ATOM 1506 O TYR A 207 -1.609 38.042 52.734 1.00 0.00 O +ATOM 1507 CB TYR A 207 -3.484 39.776 50.979 1.00 0.00 C +ATOM 1508 CG TYR A 207 -4.634 40.703 50.560 1.00 0.00 C +ATOM 1509 CD1 TYR A 207 -5.899 40.174 50.359 1.00 0.00 C +ATOM 1510 CD2 TYR A 207 -4.407 42.055 50.358 1.00 0.00 C +ATOM 1511 CE1 TYR A 207 -6.956 41.001 49.967 1.00 0.00 C +ATOM 1512 CE2 TYR A 207 -5.459 42.892 49.965 1.00 0.00 C +ATOM 1513 CZ TYR A 207 -6.733 42.361 49.772 1.00 0.00 C +ATOM 1514 OH TYR A 207 -7.789 43.196 49.474 1.00 0.00 O +ATOM 1515 N ALA A 208 -3.591 36.997 52.992 1.00 0.00 N +ATOM 1516 CA ALA A 208 -3.049 35.640 53.147 1.00 0.00 C +ATOM 1517 C ALA A 208 -3.725 34.632 52.219 1.00 0.00 C +ATOM 1518 O ALA A 208 -4.833 34.884 51.731 1.00 0.00 O +ATOM 1519 CB ALA A 208 -3.162 35.177 54.597 1.00 0.00 C +ATOM 1520 N VAL A 209 -2.936 33.669 51.776 1.00 0.00 N +ATOM 1521 CA VAL A 209 -3.412 32.638 50.844 1.00 0.00 C +ATOM 1522 C VAL A 209 -4.153 31.509 51.555 1.00 0.00 C +ATOM 1523 O VAL A 209 -3.523 30.674 52.216 1.00 0.00 O +ATOM 1524 CB VAL A 209 -2.243 32.075 50.037 1.00 0.00 C +ATOM 1525 CG1 VAL A 209 -2.687 30.980 49.068 1.00 0.00 C +ATOM 1526 CG2 VAL A 209 -1.478 33.181 49.313 1.00 0.00 C +ATOM 1527 N HIS A 210 -5.445 31.735 51.715 1.00 0.00 N +ATOM 1528 CA HIS A 210 -6.330 30.784 52.405 1.00 0.00 C +ATOM 1529 C HIS A 210 -6.802 29.614 51.545 1.00 0.00 C +ATOM 1530 O HIS A 210 -7.131 28.547 52.081 1.00 0.00 O +ATOM 1531 CB HIS A 210 -7.547 31.499 52.989 1.00 0.00 C +ATOM 1532 CG HIS A 210 -7.220 32.216 54.308 1.00 0.00 C +ATOM 1533 ND1 HIS A 210 -7.571 31.687 55.519 1.00 0.00 N +ATOM 1534 CD2 HIS A 210 -6.607 33.392 54.525 1.00 0.00 C +ATOM 1535 CE1 HIS A 210 -7.157 32.552 56.493 1.00 0.00 C +ATOM 1536 NE2 HIS A 210 -6.555 33.610 55.872 1.00 0.00 N +ATOM 1537 N GLY A 211 -6.720 29.780 50.233 1.00 0.00 N +ATOM 1538 CA GLY A 211 -7.253 28.752 49.323 1.00 0.00 C +ATOM 1539 C GLY A 211 -6.386 28.407 48.113 1.00 0.00 C +ATOM 1540 O GLY A 211 -5.500 29.183 47.734 1.00 0.00 O +ATOM 1541 N VAL A 212 -6.486 27.134 47.739 1.00 0.00 N +ATOM 1542 CA VAL A 212 -5.841 26.535 46.557 1.00 0.00 C +ATOM 1543 C VAL A 212 -6.881 25.963 45.593 1.00 0.00 C +ATOM 1544 O VAL A 212 -7.574 25.007 45.964 1.00 0.00 O +ATOM 1545 CB VAL A 212 -4.893 25.413 46.990 1.00 0.00 C +ATOM 1546 CG1 VAL A 212 -4.279 24.675 45.803 1.00 0.00 C +ATOM 1547 CG2 VAL A 212 -3.818 25.895 47.960 1.00 0.00 C +ATOM 1548 N THR A 213 -7.177 26.756 44.561 1.00 0.00 N +ATOM 1549 CA THR A 213 -8.192 26.452 43.530 1.00 0.00 C +ATOM 1550 C THR A 213 -8.234 24.983 43.122 1.00 0.00 C +ATOM 1551 O THR A 213 -7.202 24.415 42.744 1.00 0.00 O +ATOM 1552 CB THR A 213 -7.993 27.295 42.273 1.00 0.00 C +ATOM 1553 OG1 THR A 213 -7.794 28.664 42.602 1.00 0.00 O +ATOM 1554 CG2 THR A 213 -9.155 27.154 41.291 1.00 0.00 C +ATOM 1555 N SER A 214 -9.288 24.330 43.566 1.00 0.00 N +ATOM 1556 CA SER A 214 -9.451 22.904 43.287 1.00 0.00 C +ATOM 1557 C SER A 214 -10.379 22.606 42.112 1.00 0.00 C +ATOM 1558 O SER A 214 -9.925 22.064 41.097 1.00 0.00 O +ATOM 1559 CB SER A 214 -9.926 22.170 44.535 1.00 0.00 C +ATOM 1560 OG SER A 214 -9.912 20.776 44.267 1.00 0.00 O +ATOM 1561 N PHE A 215 -11.672 22.837 42.314 1.00 0.00 N +ATOM 1562 CA PHE A 215 -12.677 22.533 41.278 1.00 0.00 C +ATOM 1563 C PHE A 215 -13.874 23.481 41.194 1.00 0.00 C +ATOM 1564 O PHE A 215 -13.972 24.445 41.966 1.00 0.00 O +ATOM 1565 CB PHE A 215 -13.158 21.077 41.361 1.00 0.00 C +ATOM 1566 CG PHE A 215 -13.870 20.728 42.682 1.00 0.00 C +ATOM 1567 CD1 PHE A 215 -13.140 20.258 43.761 1.00 0.00 C +ATOM 1568 CD2 PHE A 215 -15.250 20.818 42.775 1.00 0.00 C +ATOM 1569 CE1 PHE A 215 -13.781 19.931 44.961 1.00 0.00 C +ATOM 1570 CE2 PHE A 215 -15.900 20.493 43.971 1.00 0.00 C +ATOM 1571 CZ PHE A 215 -15.164 20.054 45.070 1.00 0.00 C +ATOM 1572 N VAL A 216 -14.553 23.353 40.059 1.00 0.00 N +ATOM 1573 CA VAL A 216 -15.833 24.009 39.746 1.00 0.00 C +ATOM 1574 C VAL A 216 -16.885 22.989 39.316 1.00 0.00 C +ATOM 1575 O VAL A 216 -16.586 21.792 39.217 1.00 0.00 O +ATOM 1576 CB VAL A 216 -15.668 25.055 38.642 1.00 0.00 C +ATOM 1577 CG1 VAL A 216 -14.934 26.305 39.121 1.00 0.00 C +ATOM 1578 CG2 VAL A 216 -15.067 24.480 37.361 1.00 0.00 C +ATOM 1579 N SER A 217 -18.072 23.482 39.004 1.00 0.00 N +ATOM 1580 CA SER A 217 -19.162 22.613 38.554 1.00 0.00 C +ATOM 1581 C SER A 217 -18.997 22.147 37.114 1.00 0.00 C +ATOM 1582 O SER A 217 -18.401 22.869 36.305 1.00 0.00 O +ATOM 1583 CB SER A 217 -20.510 23.311 38.680 1.00 0.00 C +ATOM 1584 OG SER A 217 -21.483 22.497 38.034 1.00 0.00 O +ATOM 1585 N ARG A 217A -19.150 20.847 36.961 1.00 0.00 N +ATOM 1586 CA ARG A 217A -19.144 20.189 35.649 1.00 0.00 C +ATOM 1587 C ARG A 217A -20.059 20.876 34.638 1.00 0.00 C +ATOM 1588 O ARG A 217A -19.718 20.954 33.452 1.00 0.00 O +ATOM 1589 CB ARG A 217A -19.561 18.731 35.799 1.00 0.00 C +ATOM 1590 CG ARG A 217A -18.456 17.855 36.384 1.00 0.00 C +ATOM 1591 CD ARG A 217A -18.974 16.461 36.734 1.00 0.00 C +ATOM 1592 NE ARG A 217A -19.810 15.942 35.642 1.00 0.00 N +ATOM 1593 CZ ARG A 217A -21.068 15.561 35.822 1.00 0.00 C +ATOM 1594 NH1 ARG A 217A -21.782 15.130 34.795 1.00 0.00 N +ATOM 1595 NH2 ARG A 217A -21.540 15.420 37.052 1.00 0.00 N +ATOM 1596 N LEU A 218 -21.080 21.536 35.166 1.00 0.00 N +ATOM 1597 CA LEU A 218 -22.049 22.288 34.356 1.00 0.00 C +ATOM 1598 C LEU A 218 -21.442 23.565 33.789 1.00 0.00 C +ATOM 1599 O LEU A 218 -21.952 24.124 32.810 1.00 0.00 O +ATOM 1600 CB LEU A 218 -23.260 22.697 35.191 1.00 0.00 C +ATOM 1601 CG LEU A 218 -24.101 21.514 35.656 1.00 0.00 C +ATOM 1602 CD1 LEU A 218 -25.254 21.979 36.543 1.00 0.00 C +ATOM 1603 CD2 LEU A 218 -24.602 20.679 34.479 1.00 0.00 C +ATOM 1604 N GLY A 219 -20.315 23.938 34.365 1.00 0.00 N +ATOM 1605 CA GLY A 219 -19.635 25.181 33.986 1.00 0.00 C +ATOM 1606 C GLY A 219 -18.971 25.878 35.170 1.00 0.00 C +ATOM 1607 O GLY A 219 -19.245 25.538 36.328 1.00 0.00 O +ATOM 1608 N CYS A 220 -18.288 26.959 34.853 1.00 0.00 N +ATOM 1609 CA CYS A 220 -17.486 27.709 35.824 1.00 0.00 C +ATOM 1610 C CYS A 220 -18.290 28.653 36.709 1.00 0.00 C +ATOM 1611 O CYS A 220 -18.278 28.523 37.939 1.00 0.00 O +ATOM 1612 CB CYS A 220 -16.382 28.462 35.089 1.00 0.00 C +ATOM 1613 SG CYS A 220 -15.121 27.385 34.380 1.00 0.00 S +ATOM 1614 N ASN A 221 -19.015 29.545 36.070 1.00 0.00 N +ATOM 1615 CA ASN A 221 -19.808 30.538 36.799 1.00 0.00 C +ATOM 1616 C ASN A 221 -21.286 30.171 36.928 1.00 0.00 C +ATOM 1617 O ASN A 221 -22.086 30.385 36.009 1.00 0.00 O +ATOM 1618 CB ASN A 221 -19.582 31.952 36.260 1.00 0.00 C +ATOM 1619 CG ASN A 221 -19.951 32.039 34.781 1.00 0.00 C +ATOM 1620 OD1 ASN A 221 -19.361 31.340 33.945 1.00 0.00 O +ATOM 1621 ND2 ASN A 221 -21.118 32.622 34.567 1.00 0.00 N +ATOM 1622 N VAL A 221A -21.502 29.243 37.842 1.00 0.00 N +ATOM 1623 CA VAL A 221A -22.849 28.724 38.123 1.00 0.00 C +ATOM 1624 C VAL A 221A -23.379 29.122 39.500 1.00 0.00 C +ATOM 1625 O VAL A 221A -22.602 29.156 40.463 1.00 0.00 O +ATOM 1626 CB VAL A 221A -22.883 27.203 37.951 1.00 0.00 C +ATOM 1627 CG1 VAL A 221A -24.223 26.594 38.358 1.00 0.00 C +ATOM 1628 CG2 VAL A 221A -22.490 26.777 36.538 1.00 0.00 C +ATOM 1629 N THR A 222 -24.493 29.839 39.441 1.00 0.00 N +ATOM 1630 CA THR A 222 -25.244 30.295 40.617 1.00 0.00 C +ATOM 1631 C THR A 222 -25.478 29.162 41.616 1.00 0.00 C +ATOM 1632 O THR A 222 -25.818 28.047 41.201 1.00 0.00 O +ATOM 1633 CB THR A 222 -26.581 30.875 40.164 1.00 0.00 C +ATOM 1634 OG1 THR A 222 -26.372 31.717 39.035 1.00 0.00 O +ATOM 1635 CG2 THR A 222 -27.287 31.659 41.269 1.00 0.00 C +ATOM 1636 N ARG A 223 -24.897 29.369 42.790 1.00 0.00 N +ATOM 1637 CA ARG A 223 -24.900 28.425 43.924 1.00 0.00 C +ATOM 1638 C ARG A 223 -23.943 27.257 43.767 1.00 0.00 C +ATOM 1639 O ARG A 223 -24.206 26.168 44.292 1.00 0.00 O +ATOM 1640 CB ARG A 223 -26.277 27.936 44.356 1.00 0.00 C +ATOM 1641 CG ARG A 223 -27.021 29.022 45.114 1.00 0.00 C +ATOM 1642 CD ARG A 223 -28.455 28.621 45.429 1.00 0.00 C +ATOM 1643 NE ARG A 223 -29.259 29.844 45.414 1.00 0.00 N +ATOM 1644 CZ ARG A 223 -29.881 30.249 44.318 1.00 0.00 C +ATOM 1645 NH1 ARG A 223 -30.536 31.398 44.337 1.00 0.00 N +ATOM 1646 NH2 ARG A 223 -30.199 29.351 43.395 1.00 0.00 N +ATOM 1647 N LYS A 224 -23.084 27.404 42.781 1.00 0.00 N +ATOM 1648 CA LYS A 224 -21.953 26.478 42.658 1.00 0.00 C +ATOM 1649 C LYS A 224 -20.602 27.181 42.777 1.00 0.00 C +ATOM 1650 O LYS A 224 -19.892 27.288 41.770 1.00 0.00 O +ATOM 1651 CB LYS A 224 -22.026 25.701 41.345 1.00 0.00 C +ATOM 1652 CG LYS A 224 -23.179 24.701 41.346 1.00 0.00 C +ATOM 1653 CD LYS A 224 -22.955 23.584 42.364 1.00 0.00 C +ATOM 1654 CE LYS A 224 -24.202 22.728 42.561 1.00 0.00 C +ATOM 1655 NZ LYS A 224 -25.267 23.541 43.171 1.00 0.00 N +ATOM 1656 N PRO A 225 -20.231 27.608 43.989 1.00 0.00 N +ATOM 1657 CA PRO A 225 -19.018 28.417 44.223 1.00 0.00 C +ATOM 1658 C PRO A 225 -17.720 27.642 44.020 1.00 0.00 C +ATOM 1659 O PRO A 225 -17.738 26.411 43.896 1.00 0.00 O +ATOM 1660 CB PRO A 225 -19.108 28.887 45.672 1.00 0.00 C +ATOM 1661 CG PRO A 225 -19.983 27.855 46.353 1.00 0.00 C +ATOM 1662 CD PRO A 225 -20.969 27.453 45.266 1.00 0.00 C +ATOM 1663 N THR A 226 -16.703 28.396 43.647 1.00 0.00 N +ATOM 1664 CA THR A 226 -15.370 27.830 43.430 1.00 0.00 C +ATOM 1665 C THR A 226 -14.821 27.236 44.725 1.00 0.00 C +ATOM 1666 O THR A 226 -15.121 27.766 45.803 1.00 0.00 O +ATOM 1667 CB THR A 226 -14.427 28.905 42.890 1.00 0.00 C +ATOM 1668 OG1 THR A 226 -15.031 29.544 41.768 1.00 0.00 O +ATOM 1669 CG2 THR A 226 -13.070 28.336 42.476 1.00 0.00 C +ATOM 1670 N VAL A 227 -14.520 25.953 44.632 1.00 0.00 N +ATOM 1671 CA VAL A 227 -14.021 25.202 45.789 1.00 0.00 C +ATOM 1672 C VAL A 227 -12.497 25.130 45.854 1.00 0.00 C +ATOM 1673 O VAL A 227 -11.842 24.956 44.818 1.00 0.00 O +ATOM 1674 CB VAL A 227 -14.626 23.801 45.814 1.00 0.00 C +ATOM 1675 CG1 VAL A 227 -14.194 23.028 47.056 1.00 0.00 C +ATOM 1676 CG2 VAL A 227 -16.147 23.853 45.711 1.00 0.00 C +ATOM 1677 N PHE A 228 -12.006 25.663 46.966 1.00 0.00 N +ATOM 1678 CA PHE A 228 -10.579 25.770 47.296 1.00 0.00 C +ATOM 1679 C PHE A 228 -10.156 24.770 48.371 1.00 0.00 C +ATOM 1680 O PHE A 228 -10.978 24.345 49.191 1.00 0.00 O +ATOM 1681 CB PHE A 228 -10.284 27.176 47.827 1.00 0.00 C +ATOM 1682 CG PHE A 228 -10.702 28.289 46.851 1.00 0.00 C +ATOM 1683 CD1 PHE A 228 -9.832 28.710 45.861 1.00 0.00 C +ATOM 1684 CD2 PHE A 228 -11.937 28.902 46.987 1.00 0.00 C +ATOM 1685 CE1 PHE A 228 -10.211 29.724 44.973 1.00 0.00 C +ATOM 1686 CE2 PHE A 228 -12.323 29.913 46.102 1.00 0.00 C +ATOM 1687 CZ PHE A 228 -11.461 30.324 45.090 1.00 0.00 C +ATOM 1688 N THR A 229 -8.883 24.415 48.346 1.00 0.00 N +ATOM 1689 CA THR A 229 -8.266 23.551 49.361 1.00 0.00 C +ATOM 1690 C THR A 229 -7.776 24.401 50.531 1.00 0.00 C +ATOM 1691 O THR A 229 -7.123 25.423 50.281 1.00 0.00 O +ATOM 1692 CB THR A 229 -7.087 22.799 48.738 1.00 0.00 C +ATOM 1693 OG1 THR A 229 -7.532 22.064 47.601 1.00 0.00 O +ATOM 1694 CG2 THR A 229 -6.406 21.849 49.720 1.00 0.00 C +ATOM 1695 N ARG A 230 -8.495 24.254 51.641 1.00 0.00 N +ATOM 1696 CA ARG A 230 -8.268 25.051 52.862 1.00 0.00 C +ATOM 1697 C ARG A 230 -6.864 24.904 53.445 1.00 0.00 C +ATOM 1698 O ARG A 230 -6.626 23.985 54.237 1.00 0.00 O +ATOM 1699 CB ARG A 230 -9.276 24.678 53.945 1.00 0.00 C +ATOM 1700 CG ARG A 230 -9.415 25.786 54.986 1.00 0.00 C +ATOM 1701 CD ARG A 230 -10.323 25.399 56.149 1.00 0.00 C +ATOM 1702 NE ARG A 230 -9.541 24.737 57.201 1.00 0.00 N +ATOM 1703 CZ ARG A 230 -9.959 23.697 57.910 1.00 0.00 C +ATOM 1704 NH1 ARG A 230 -9.191 23.230 58.883 1.00 0.00 N +ATOM 1705 NH2 ARG A 230 -11.119 23.105 57.639 1.00 0.00 N +ATOM 1706 N VAL A 231 -5.956 25.721 52.925 1.00 0.00 N +ATOM 1707 CA VAL A 231 -4.528 25.771 53.300 1.00 0.00 C +ATOM 1708 C VAL A 231 -4.231 25.638 54.795 1.00 0.00 C +ATOM 1709 O VAL A 231 -3.372 24.831 55.177 1.00 0.00 O +ATOM 1710 CB VAL A 231 -3.899 27.059 52.764 1.00 0.00 C +ATOM 1711 CG1 VAL A 231 -2.443 27.230 53.196 1.00 0.00 C +ATOM 1712 CG2 VAL A 231 -4.043 27.170 51.250 1.00 0.00 C +ATOM 1713 N SER A 232 -5.151 26.158 55.596 1.00 0.00 N +ATOM 1714 CA SER A 232 -4.977 26.212 57.056 1.00 0.00 C +ATOM 1715 C SER A 232 -5.098 24.838 57.706 1.00 0.00 C +ATOM 1716 O SER A 232 -4.728 24.657 58.871 1.00 0.00 O +ATOM 1717 CB SER A 232 -6.019 27.128 57.684 1.00 0.00 C +ATOM 1718 OG SER A 232 -7.260 26.435 57.738 1.00 0.00 O +ATOM 1719 N ALA A 233 -5.603 23.899 56.930 1.00 0.00 N +ATOM 1720 CA ALA A 233 -5.769 22.521 57.405 1.00 0.00 C +ATOM 1721 C ALA A 233 -4.496 21.705 57.232 1.00 0.00 C +ATOM 1722 O ALA A 233 -4.422 20.562 57.702 1.00 0.00 O +ATOM 1723 CB ALA A 233 -6.883 21.827 56.624 1.00 0.00 C +ATOM 1724 N TYR A 234 -3.665 22.187 56.327 1.00 0.00 N +ATOM 1725 CA TYR A 234 -2.479 21.431 55.906 1.00 0.00 C +ATOM 1726 C TYR A 234 -1.153 22.007 56.394 1.00 0.00 C +ATOM 1727 O TYR A 234 -0.100 21.536 55.950 1.00 0.00 O +ATOM 1728 CB TYR A 234 -2.452 21.282 54.382 1.00 0.00 C +ATOM 1729 CG TYR A 234 -3.668 20.495 53.865 1.00 0.00 C +ATOM 1730 CD1 TYR A 234 -4.770 21.170 53.363 1.00 0.00 C +ATOM 1731 CD2 TYR A 234 -3.657 19.109 53.884 1.00 0.00 C +ATOM 1732 CE1 TYR A 234 -5.883 20.459 52.899 1.00 0.00 C +ATOM 1733 CE2 TYR A 234 -4.765 18.389 53.417 1.00 0.00 C +ATOM 1734 CZ TYR A 234 -5.879 19.069 52.927 1.00 0.00 C +ATOM 1735 OH TYR A 234 -7.012 18.375 52.554 1.00 0.00 O +ATOM 1736 N ILE A 235 -1.241 23.135 57.089 1.00 0.00 N +ATOM 1737 CA ILE A 235 -0.066 23.873 57.598 1.00 0.00 C +ATOM 1738 C ILE A 235 1.030 22.986 58.190 1.00 0.00 C +ATOM 1739 O ILE A 235 2.159 22.999 57.679 1.00 0.00 O +ATOM 1740 CB ILE A 235 -0.482 24.942 58.609 1.00 0.00 C +ATOM 1741 CG1 ILE A 235 -1.458 25.951 58.007 1.00 0.00 C +ATOM 1742 CG2 ILE A 235 0.723 25.642 59.238 1.00 0.00 C +ATOM 1743 CD1 ILE A 235 -0.849 26.726 56.840 1.00 0.00 C +ATOM 1744 N SER A 236 0.572 21.997 58.945 1.00 0.00 N +ATOM 1745 CA SER A 236 1.436 21.014 59.615 1.00 0.00 C +ATOM 1746 C SER A 236 2.245 20.183 58.630 1.00 0.00 C +ATOM 1747 O SER A 236 3.482 20.194 58.669 1.00 0.00 O +ATOM 1748 CB SER A 236 0.590 20.048 60.436 1.00 0.00 C +ATOM 1749 OG SER A 236 1.420 18.958 60.826 1.00 0.00 O +ATOM 1750 N TRP A 237 1.518 19.752 57.621 1.00 0.00 N +ATOM 1751 CA TRP A 237 2.047 18.909 56.548 1.00 0.00 C +ATOM 1752 C TRP A 237 3.046 19.672 55.686 1.00 0.00 C +ATOM 1753 O TRP A 237 4.218 19.274 55.637 1.00 0.00 O +ATOM 1754 CB TRP A 237 0.881 18.398 55.698 1.00 0.00 C +ATOM 1755 CG TRP A 237 1.351 17.542 54.512 1.00 0.00 C +ATOM 1756 CD1 TRP A 237 1.782 16.265 54.489 1.00 0.00 C +ATOM 1757 CD2 TRP A 237 1.391 17.963 53.182 1.00 0.00 C +ATOM 1758 NE1 TRP A 237 2.126 15.901 53.205 1.00 0.00 N +ATOM 1759 CE2 TRP A 237 1.919 16.889 52.426 1.00 0.00 C +ATOM 1760 CE3 TRP A 237 1.057 19.175 52.595 1.00 0.00 C +ATOM 1761 CZ2 TRP A 237 2.192 16.983 51.071 1.00 0.00 C +ATOM 1762 CZ3 TRP A 237 1.301 19.266 51.218 1.00 0.00 C +ATOM 1763 CH2 TRP A 237 1.855 18.209 50.482 1.00 0.00 C +ATOM 1764 N ILE A 238 2.679 20.924 55.449 1.00 0.00 N +ATOM 1765 CA ILE A 238 3.467 21.828 54.600 1.00 0.00 C +ATOM 1766 C ILE A 238 4.837 22.114 55.202 1.00 0.00 C +ATOM 1767 O ILE A 238 5.844 21.752 54.577 1.00 0.00 O +ATOM 1768 CB ILE A 238 2.710 23.133 54.343 1.00 0.00 C +ATOM 1769 CG1 ILE A 238 1.443 22.914 53.518 1.00 0.00 C +ATOM 1770 CG2 ILE A 238 3.599 24.216 53.736 1.00 0.00 C +ATOM 1771 CD1 ILE A 238 0.635 24.200 53.350 1.00 0.00 C +ATOM 1772 N ASN A 239 4.798 22.142 56.525 1.00 0.00 N +ATOM 1773 CA ASN A 239 6.009 22.405 57.310 1.00 0.00 C +ATOM 1774 C ASN A 239 6.911 21.184 57.429 1.00 0.00 C +ATOM 1775 O ASN A 239 8.066 21.255 56.990 1.00 0.00 O +ATOM 1776 CB ASN A 239 5.678 22.964 58.691 1.00 0.00 C +ATOM 1777 CG ASN A 239 5.203 24.405 58.540 1.00 0.00 C +ATOM 1778 OD1 ASN A 239 4.407 24.895 59.351 1.00 0.00 O +ATOM 1779 ND2 ASN A 239 5.795 25.081 57.567 1.00 0.00 N +ATOM 1780 N ASN A 240 6.242 20.049 57.573 1.00 0.00 N +ATOM 1781 CA ASN A 240 6.926 18.753 57.716 1.00 0.00 C +ATOM 1782 C ASN A 240 7.677 18.342 56.456 1.00 0.00 C +ATOM 1783 O ASN A 240 8.901 18.161 56.513 1.00 0.00 O +ATOM 1784 CB ASN A 240 5.955 17.640 58.112 1.00 0.00 C +ATOM 1785 CG ASN A 240 5.553 17.800 59.575 1.00 0.00 C +ATOM 1786 OD1 ASN A 240 4.428 17.455 59.961 1.00 0.00 O +ATOM 1787 ND2 ASN A 240 6.463 18.379 60.341 1.00 0.00 N +ATOM 1788 N VAL A 241 7.039 18.674 55.349 1.00 0.00 N +ATOM 1789 CA VAL A 241 7.567 18.341 54.021 1.00 0.00 C +ATOM 1790 C VAL A 241 8.770 19.194 53.641 1.00 0.00 C +ATOM 1791 O VAL A 241 9.872 18.642 53.502 1.00 0.00 O +ATOM 1792 CB VAL A 241 6.473 18.455 52.960 1.00 0.00 C +ATOM 1793 CG1 VAL A 241 7.025 18.479 51.535 1.00 0.00 C +ATOM 1794 CG2 VAL A 241 5.414 17.373 53.139 1.00 0.00 C +ATOM 1795 N ILE A 242 8.636 20.454 54.015 1.00 0.00 N +ATOM 1796 CA ILE A 242 9.659 21.451 53.691 1.00 0.00 C +ATOM 1797 C ILE A 242 10.902 21.329 54.565 1.00 0.00 C +ATOM 1798 O ILE A 242 12.007 21.246 54.013 1.00 0.00 O +ATOM 1799 CB ILE A 242 9.075 22.864 53.724 1.00 0.00 C +ATOM 1800 CG1 ILE A 242 8.142 23.125 52.543 1.00 0.00 C +ATOM 1801 CG2 ILE A 242 10.133 23.955 53.880 1.00 0.00 C +ATOM 1802 CD1 ILE A 242 7.641 24.568 52.510 1.00 0.00 C +ATOM 1803 N ALA A 243 10.660 20.758 55.732 1.00 0.00 N +ATOM 1804 CA ALA A 243 11.732 20.603 56.722 1.00 0.00 C +ATOM 1805 C ALA A 243 12.482 19.286 56.563 1.00 0.00 C +ATOM 1806 O ALA A 243 13.689 19.216 56.825 1.00 0.00 O +ATOM 1807 CB ALA A 243 11.179 20.711 58.139 1.00 0.00 C +ATOM 1808 N SER A 244 11.809 18.345 55.934 1.00 0.00 N +ATOM 1809 CA SER A 244 12.417 17.035 55.692 1.00 0.00 C +ATOM 1810 C SER A 244 13.036 16.986 54.303 1.00 0.00 C +ATOM 1811 O SER A 244 13.154 15.899 53.724 1.00 0.00 O +ATOM 1812 CB SER A 244 11.366 15.938 55.806 1.00 0.00 C +ATOM 1813 OG SER A 244 10.378 16.162 54.808 1.00 0.00 O +ATOM 1814 N ASN A 245 12.943 18.148 53.670 1.00 0.00 N +ATOM 1815 CA ASN A 245 13.496 18.377 52.324 1.00 0.00 C +ATOM 1816 C ASN A 245 14.439 19.571 52.232 1.00 0.00 C +ATOM 1817 O ASN A 245 14.421 20.270 51.213 1.00 0.00 O +ATOM 1818 CB ASN A 245 12.396 18.523 51.278 1.00 0.00 C +ATOM 1819 CG ASN A 245 11.999 17.148 50.753 1.00 0.00 C +ATOM 1820 OD1 ASN A 245 12.719 16.615 49.899 1.00 0.00 O +ATOM 1821 ND2 ASN A 245 11.248 16.460 51.601 1.00 0.00 N +ATOM 1822 OXT ASN A 245 15.222 19.801 53.161 1.00 0.00 O +TER 1823 ASN A 245 +HETATM 1824 S SO4 A 246 -8.300 21.800 60.900 1.00 0.00 S +HETATM 1825 S TSU A 247 -8.299 23.390 37.426 1.00 0.00 S +HETATM 1826 O2 TSU A 247 -9.721 23.151 37.607 1.00 0.00 O +HETATM 1827 O3 TSU A 247 -8.087 24.591 36.631 1.00 0.00 O +HETATM 1828 C1 TSU A 247 -7.585 22.020 36.603 1.00 0.00 C +HETATM 1829 C2 TSU A 247 -6.545 22.217 35.689 1.00 0.00 C +HETATM 1830 C3 TSU A 247 -5.969 21.121 35.034 1.00 0.00 C +HETATM 1831 C4 TSU A 247 -6.435 19.824 35.280 1.00 0.00 C +HETATM 1832 C5 TSU A 247 -7.498 19.635 36.172 1.00 0.00 C +HETATM 1833 C6 TSU A 247 -8.075 20.730 36.830 1.00 0.00 C +HETATM 1834 C7 TSU A 247 -5.482 18.657 35.033 1.00 0.00 C +HETATM 1835 O HOH A 248 -18.700 26.100 40.100 1.00 0.00 O +HETATM 1836 O HOH A 249 -19.400 30.200 40.400 1.00 0.00 O +HETATM 1837 O HOH A 250 -21.000 32.200 40.100 1.00 0.00 O +HETATM 1838 O HOH A 251 -17.800 31.500 42.000 1.00 0.00 O +HETATM 1839 O HOH A 252 -16.100 27.400 53.300 1.00 0.00 O +HETATM 1840 O HOH A 253 -16.500 24.800 53.400 1.00 0.00 O +HETATM 1841 O HOH A 254 -16.100 31.300 55.300 1.00 0.00 O +HETATM 1842 O HOH A 255 -13.900 29.100 55.600 1.00 0.00 O +HETATM 1843 O HOH A 256 0.900 40.600 37.500 1.00 0.00 O +HETATM 1844 O HOH A 257 4.400 40.700 37.300 1.00 0.00 O +HETATM 1845 O HOH A 258 5.700 42.300 35.700 1.00 0.00 O +HETATM 1846 O HOH A 259 3.800 39.600 39.900 1.00 0.00 O +HETATM 1847 O HOH A 260 -6.400 30.900 41.800 1.00 0.00 O +HETATM 1848 O HOH A 261 -4.400 30.900 39.600 1.00 0.00 O +HETATM 1849 O HOH A 262 -3.800 30.400 36.400 1.00 0.00 O +HETATM 1850 O HOH A 263 -1.900 28.200 45.600 1.00 0.00 O +HETATM 1851 O HOH A 264 -9.600 29.500 56.100 1.00 0.00 O +HETATM 1852 O HOH A 265 -7.100 28.500 54.700 1.00 0.00 O +HETATM 1853 O HOH A 266 -9.600 18.600 46.400 1.00 0.00 O +HETATM 1854 O HOH A 267 -9.200 19.600 48.300 1.00 0.00 O +HETATM 1855 O HOH A 268 -8.900 18.800 51.100 1.00 0.00 O +HETATM 1856 O HOH A 269 5.100 36.100 41.200 1.00 0.00 O +HETATM 1857 O HOH A 270 4.400 35.100 38.200 1.00 0.00 O +HETATM 1858 O HOH A 271 2.200 36.800 38.600 1.00 0.00 O +HETATM 1859 O HOH A 272 5.200 37.800 30.100 1.00 0.00 O +CONECT 231 352 +CONECT 352 231 +CONECT 980 1466 +CONECT 1223 1341 +CONECT 1341 1223 +CONECT 1400 1613 +CONECT 1466 980 +CONECT 1613 1400 +CONECT 1825 1826 1827 1828 +CONECT 1826 1825 +CONECT 1827 1825 +CONECT 1828 1825 1829 1833 +CONECT 1829 1828 1830 +CONECT 1830 1829 1831 +CONECT 1831 1830 1832 1834 +CONECT 1832 1831 1833 +CONECT 1833 1828 1832 +CONECT 1834 1831 +MASTER 433 1 2 2 17 0 4 6 1858 1 18 19 +END diff --git a/Notice.pdf b/doc/Notice.pdf similarity index 100% rename from Notice.pdf rename to doc/Notice.pdf diff --git a/Sujets_Projets_Courts_2019_2020.pdf b/doc/Sujets_Projets_Courts_2019_2020.pdf similarity index 100% rename from Sujets_Projets_Courts_2019_2020.pdf rename to doc/Sujets_Projets_Courts_2019_2020.pdf diff --git a/kabsch1983.pdf b/doc/kabsch1983.pdf similarity index 100% rename from kabsch1983.pdf rename to doc/kabsch1983.pdf diff --git a/doc/notes.org b/doc/notes.org new file mode 100644 index 0000000..97bcf87 --- /dev/null +++ b/doc/notes.org @@ -0,0 +1,33 @@ +Dépôt output DSSP: +http://ftp.cbi.pku.edu.cn/pub/database/DSSP/latest_release/ + + +structure basée sur liaisons H + +- n-turns : liaison H entre CO et NH du res i+n, ou n = [3,4,5] +- bridges : LH avec res non proches + +* hélices : 4-turns répétés +* brins beta : repetition bridges + +common imperfections : helical kinks + beta-bulges + +propriétés déduites geométriquement : bends, chirality, SS bonds, solvent exposure + + +Hbond(i,j) = [E<-0.5kcal/mole] + +electrostatic interaction energy between twho H-bonding groups by placing partial charges on the C,O(+q1,-q1) and N,H(-q2,+q2) atoms + +E = q1q2(1/r(ON) + 1/r(CH) - 1/r(OH) - 1/r(CN))*f +avec +q1 = 0.42e +q2 = 0.20e +e la charge élémentaire d'un electro (e = 1,602 176 634 ×10−19 C) +r en angström +f (facteur de dimmensionnalité) = 332 +E en kcal/mol + +Bonne LH si E <= -3 kcal/mol + +Cutoff choisi permet une distance N-O jusqu'à 2.2 Angström