Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k1y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ASN 244.A O no hydrogen 3.554 N/A ILE 4.A N LYS 246.A O no hydrogen 2.757 N/A ASN 5.A N LYS 207.A O no hydrogen 3.179 N/A ASN 5.A ND2 PRO 205.A O no hydrogen 2.961 N/A ASN 5.A ND2 LYS 207.A O no hydrogen 2.873 N/A PHE 6.A N ASN 248.A O no hydrogen 2.720 N/A ILE 7.A N ALA 209.A O no hydrogen 3.024 N/A GLY 9.A N PHE 211.A O no hydrogen 2.770 N/A ILE 10.A N ASN 47.A O no hydrogen 2.913 N/A HIS 11.A N ASP 213.A O no hydrogen 2.840 N/A ASN 12.A N HIS 49.A O no hydrogen 2.768 N/A HIS 13.A N GLU 216.A OE2 no hydrogen 2.947 N/A HIS 13.A NE2 ASP 354.A OD2 no hydrogen 2.765 N/A GLN 14.A NE2 TYR 31.A OH no hydrogen 2.988 N/A ASN 18.A N PRO 15.A O no hydrogen 3.090 N/A ASN 18.A ND2 GLN 14.A OE1 no hydrogen 2.696 N/A VAL 22.A N PHE 19.A O no hydrogen 3.012 N/A GLU 24.A N GLY 20.A O no hydrogen 3.111 N/A GLU 25.A N TRP 21.A O no hydrogen 2.702 N/A ALA 26.A N VAL 22.A O no hydrogen 2.974 N/A TYR 27.A N PHE 23.A O no hydrogen 2.956 N/A ASN 28.A N GLU 24.A O no hydrogen 2.969 N/A ASN 28.A ND2 GLU 24.A O no hydrogen 3.155 N/A ARG 29.A N GLU 25.A O no hydrogen 2.680 N/A SER 30.A N ALA 26.A O no hydrogen 2.926 N/A SER 30.A OG GLY 215.A O no hydrogen 2.775 N/A SER 30.A OG PHE 218.A O no hydrogen 3.396 N/A TYR 31.A N ALA 26.A O no hydrogen 3.063 N/A TYR 31.A OH GLU 216.A OE2 no hydrogen 2.703 N/A ARG 32.A N TYR 27.A O no hydrogen 2.839 N/A ARG 32.A NH1 ASN 28.A OD1 no hydrogen 2.520 N/A ARG 32.A NH2 ASN 28.A OD1 no hydrogen 3.187 N/A PHE 34.A N SER 30.A O no hydrogen 3.012 N/A GLU 36.A N ARG 32.A O no hydrogen 3.004 N/A ILE 37.A N PRO 33.A O no hydrogen 3.078 N/A LEU 38.A N PHE 34.A O no hydrogen 3.031 N/A GLU 39.A N MET 35.A O no hydrogen 2.878 N/A GLU 40.A N ILE 37.A O no hydrogen 3.019 N/A PHE 41.A N LEU 38.A O no hydrogen 3.016 N/A MET 44.A N PHE 41.A O no hydrogen 2.810 N/A LYS 45.A NZ LEU 249.A O no hydrogen 3.455 N/A LYS 45.A NZ GLU 254.A OE2 no hydrogen 2.765 N/A VAL 46.A N GLN 77.A O no hydrogen 2.813 N/A ASN 47.A N PHE 8.A O no hydrogen 2.778 N/A ASN 47.A ND2 PHE 8.A O no hydrogen 2.942 N/A VAL 48.A N GLU 79.A O no hydrogen 2.933 N/A HIS 49.A N ILE 10.A O no hydrogen 3.030 N/A HIS 49.A ND1 VAL 81.A O no hydrogen 3.178 N/A HIS 49.A NE2 GLU 87.A OE1 no hydrogen 2.778 N/A SER 51.A N ASN 12.A O no hydrogen 3.083 N/A GLY 52.A N PHE 85.A O no hydrogen 2.754 N/A LEU 55.A N SER 51.A O no hydrogen 3.139 N/A GLU 56.A N GLY 52.A O no hydrogen 2.968 N/A TRP 57.A N PRO 53.A O no hydrogen 2.785 N/A ILE 58.A N LEU 54.A O no hydrogen 2.925 N/A GLU 59.A N LEU 55.A O no hydrogen 3.020 N/A GLU 60.A N GLU 56.A O no hydrogen 3.298 N/A ASN 61.A N TRP 57.A O no hydrogen 2.937 N/A ASN 61.A ND2 TRP 57.A O no hydrogen 2.732 N/A LYS 62.A N ILE 58.A O no hydrogen 2.624 N/A LYS 62.A NZ GLU 24.A OE1 no hydrogen 2.501 N/A TYR 65.A N LYS 62.A O no hydrogen 2.896 N/A TYR 65.A OH TYR 31.A O no hydrogen 2.862 N/A LEU 66.A N PRO 63.A O no hydrogen 2.941 N/A LEU 68.A N ASP 64.A O no hydrogen 3.150 N/A LEU 69.A N TYR 65.A O no hydrogen 3.030 N/A ARG 70.A N LEU 66.A O no hydrogen 2.943 N/A ARG 70.A NE LYS 111.A O no hydrogen 3.370 N/A SER 71.A N ASP 67.A O no hydrogen 3.110 N/A LEU 72.A N LEU 68.A O no hydrogen 2.988 N/A ILE 73.A N LEU 69.A O no hydrogen 2.915 N/A LYS 74.A N ARG 70.A O no hydrogen 2.914 N/A ARG 75.A N SER 71.A O no hydrogen 2.849 N/A GLY 76.A N ILE 73.A O no hydrogen 3.209 N/A GLN 77.A N LEU 72.A O no hydrogen 2.858 N/A GLN 77.A NE2 LEU 38.A O no hydrogen 2.953 N/A GLN 77.A NE2 MET 44.A O no hydrogen 3.308 N/A GLU 79.A N VAL 46.A O no hydrogen 3.024 N/A VAL 81.A N VAL 48.A O no hydrogen 2.736 N/A VAL 82.A N GLY 118.A O no hydrogen 2.973 N/A PHE 85.A N GLN 101.A O no hydrogen 2.870 N/A TYR 86.A N GLN 101.A OE1 no hydrogen 3.068 N/A GLU 87.A N GLY 84.A O no hydrogen 2.727 N/A ALA 92.A N VAL 89.A O no hydrogen 2.858 N/A ILE 93.A N LEU 90.A O no hydrogen 3.365 N/A LYS 95.A NZ GLU 96.A OE2 no hydrogen 3.095 N/A GLU 96.A N GLU 96.A OE1 no hydrogen 2.745 N/A ARG 98.A N PRO 94.A O no hydrogen 3.049 N/A ARG 98.A N LYS 95.A O no hydrogen 3.251 N/A ARG 98.A NE LEU 90.A O no hydrogen 2.711 N/A ARG 98.A NE ILE 93.A O no hydrogen 3.030 N/A ARG 98.A NH1 SER 133.A OG no hydrogen 3.246 N/A ARG 98.A NH2 ILE 93.A O no hydrogen 3.330 N/A LEU 99.A N LYS 95.A O no hydrogen 3.393 N/A VAL 100.A N GLU 96.A O no hydrogen 3.520 N/A GLN 101.A N ASP 97.A O no hydrogen 2.979 N/A GLN 101.A NE2 LEU 348.A O no hydrogen 3.068 N/A GLN 101.A NE2 GLN 351.A OE1 no hydrogen 2.982 N/A ILE 102.A N ARG 98.A O no hydrogen 2.973 N/A GLU 103.A N LEU 99.A O no hydrogen 2.967 N/A MET 104.A N VAL 100.A O no hydrogen 2.975 N/A LYS 106.A N ILE 102.A O no hydrogen 2.851 N/A LYS 106.A NZ ALA 137.A O no hydrogen 2.836 N/A ASP 107.A N GLU 103.A O no hydrogen 2.880 N/A TYR 108.A N MET 104.A O no hydrogen 3.377 N/A ALA 109.A N LEU 105.A O no hydrogen 2.947 N/A ARG 110.A N LYS 106.A O no hydrogen 3.005 N/A ARG 110.A NH1 GLU 103.A OE2 no hydrogen 3.202 N/A LYS 111.A N ASP 107.A O no hydrogen 3.168 N/A LYS 111.A N TYR 108.A O no hydrogen 2.875 N/A LYS 111.A NZ ASP 107.A OD1 no hydrogen 2.805 N/A LEU 112.A N ALA 109.A O no hydrogen 2.889 N/A GLY 113.A N ARG 110.A O no hydrogen 3.120 N/A TYR 114.A N ALA 109.A O no hydrogen 3.158 N/A TYR 114.A OH SER 253.A OG no hydrogen 3.394 N/A VAL 119.A N TYR 141.A O no hydrogen 2.930 N/A TRP 120.A N VAL 82.A O no hydrogen 2.848 N/A THR 122.A OG1 GLU 87.A OE2 no hydrogen 2.571 N/A ARG 124.A N LEU 121.A O no hydrogen 2.591 N/A ARG 124.A NE ASP 145.A OD1 no hydrogen 3.292 N/A ARG 124.A NE ASP 145.A OD2 no hydrogen 2.687 N/A ARG 124.A NH2 ASP 145.A OD1 no hydrogen 2.881 N/A TRP 126.A N ALA 270.A O no hydrogen 3.115 N/A LEU 130.A N GLN 127.A O no hydrogen 3.026 N/A VAL 131.A N PRO 128.A O no hydrogen 3.155 N/A LEU 134.A N LEU 130.A O no hydrogen 2.830 N/A ARG 135.A N VAL 131.A O no hydrogen 2.994 N/A ARG 135.A NE VAL 171.A O no hydrogen 2.927 N/A ARG 135.A NH1 ARG 135.A O no hydrogen 3.527 N/A GLU 136.A N LYS 132.A O no hydrogen 2.903 N/A ALA 137.A N SER 133.A O no hydrogen 3.141 N/A ALA 137.A N LEU 134.A O no hydrogen 3.131 N/A GLY 138.A N ARG 135.A O no hydrogen 3.095 N/A ILE 139.A N LEU 134.A O no hydrogen 2.949 N/A GLU 140.A N LYS 117.A O no hydrogen 2.802 N/A TYR 141.A N LYS 117.A O no hydrogen 3.305 N/A TYR 141.A OH GLU 79.A OE2 no hydrogen 2.703 N/A VAL 142.A N THR 173.A O no hydrogen 2.997 N/A VAL 143.A N VAL 119.A O no hydrogen 2.854 N/A VAL 144.A N PHE 175.A O no hydrogen 2.871 N/A ASP 145.A N HIS 148.A ND1 no hydrogen 3.187 N/A ASP 146.A N ILE 177.A O no hydrogen 2.951 N/A TYR 147.A OH VAL 308.A O no hydrogen 2.906 N/A HIS 148.A N ASP 145.A O no hydrogen 3.131 N/A HIS 148.A NE2 ARG 124.A O no hydrogen 2.775 N/A MET 150.A N ASP 146.A O no hydrogen 2.957 N/A SER 151.A N TYR 147.A O no hydrogen 2.930 N/A SER 151.A OG TYR 147.A O no hydrogen 2.896 N/A ALA 152.A N PHE 149.A O no hydrogen 2.902 N/A GLY 153.A N PHE 149.A O no hydrogen 3.133 N/A GLY 153.A N MET 150.A O no hydrogen 3.126 N/A LEU 154.A N PHE 149.A O no hydrogen 3.215 N/A SER 155.A N GLU 158.A OE2 no hydrogen 3.000 N/A SER 155.A OG GLU 158.A OE2 no hydrogen 3.117 N/A LYS 156.A NZ ASP 146.A OD2 no hydrogen 3.408 N/A LYS 156.A NZ ASP 178.A OD1 no hydrogen 2.903 N/A GLU 158.A N SER 155.A O no hydrogen 2.945 N/A LEU 159.A N LYS 156.A O no hydrogen 3.007 N/A TYR 163.A N VAL 174.A O no hydrogen 2.899 N/A TYR 163.A OH GLU 158.A O no hydrogen 2.370 N/A TYR 164.A N GLY 263.A O no hydrogen 2.805 N/A THR 165.A N ILE 172.A O no hydrogen 3.090 N/A THR 165.A OG1 VAL 265.A O no hydrogen 2.778 N/A ASP 167.A N GLU 170.A O no hydrogen 2.925 N/A GLY 169.A N GLU 166.A OE1 no hydrogen 3.345 N/A GLU 170.A N ASP 167.A O no hydrogen 2.827 N/A ILE 172.A N THR 165.A O no hydrogen 3.098 N/A THR 173.A N GLU 140.A O no hydrogen 3.216 N/A VAL 174.A N TYR 163.A O no hydrogen 2.595 N/A PHE 175.A N VAL 142.A O no hydrogen 3.183 N/A ILE 177.A N VAL 144.A O no hydrogen 2.708 N/A ASP 178.A N VAL 210.A O no hydrogen 2.906 N/A GLU 179.A N ASP 146.A OD2 no hydrogen 2.789 N/A LYS 180.A N ASP 178.A OD1 no hydrogen 2.947 N/A ARG 182.A N ASP 178.A O no hydrogen 3.391 N/A ARG 182.A NH1 GLU 274.A OE1 no hydrogen 3.559 N/A ARG 182.A NH1 GLU 274.A OE2 no hydrogen 2.703 N/A ARG 182.A NH2 GLU 274.A OE1 no hydrogen 2.900 N/A ARG 182.A NH2 GLU 274.A OE2 no hydrogen 3.404 N/A TYR 183.A N LYS 180.A O no hydrogen 2.955 N/A TYR 183.A OH GLU 274.A OE2 no hydrogen 2.919 N/A LEU 184.A N LYS 180.A O no hydrogen 2.896 N/A ILE 185.A N LEU 181.A O no hydrogen 2.893 N/A ARG 188.A N LEU 184.A O no hydrogen 2.965 N/A LYS 191.A NZ GLU 195.A OE2 no hydrogen 2.692 N/A LYS 192.A N PRO 189.A O no hydrogen 2.891 N/A THR 193.A N VAL 190.A O no hydrogen 2.990 N/A ILE 194.A N VAL 190.A O no hydrogen 3.139 N/A GLU 195.A N LYS 191.A O no hydrogen 2.818 N/A TYR 196.A N LYS 192.A O no hydrogen 3.325 N/A TYR 196.A OH ASP 178.A OD2 no hydrogen 2.532 N/A LEU 197.A N THR 193.A O no hydrogen 2.974 N/A GLU 198.A N ILE 194.A O no hydrogen 2.890 N/A SER 199.A N GLU 195.A O no hydrogen 3.121 N/A SER 199.A OG GLU 195.A O no hydrogen 3.567 N/A SER 199.A OG TYR 196.A O no hydrogen 2.631 N/A LEU 200.A N LEU 197.A O no hydrogen 2.905 N/A THR 201.A N GLU 198.A O no hydrogen 3.373 N/A THR 201.A OG1 GLU 198.A O no hydrogen 2.962 N/A ASP 204.A N SER 202.A OG no hydrogen 3.053 N/A SER 206.A N ASP 204.A OD1 no hydrogen 3.134 N/A SER 206.A OG ASP 204.A OD1 no hydrogen 2.771 N/A SER 206.A OG ASP 204.A OD2 no hydrogen 3.520 N/A LYS 207.A N ASP 204.A O no hydrogen 3.010 N/A LYS 207.A NZ LEU 200.A O no hydrogen 2.641 N/A VAL 208.A N PHE 160.A O no hydrogen 2.752 N/A ALA 209.A N ASN 5.A O no hydrogen 2.970 N/A PHE 211.A N ILE 7.A O no hydrogen 2.808 N/A HIS 212.A ND1 TYR 252.A OH no hydrogen 2.880 N/A HIS 212.A NE2 ILE 10.A O no hydrogen 2.955 N/A ASP 213.A N GLY 9.A O no hydrogen 3.292 N/A ASP 214.A N ASP 213.A OD1 no hydrogen 2.722 N/A GLY 215.A N HIS 11.A O no hydrogen 2.801 N/A LYS 217.A N ASP 214.A O no hydrogen 3.129 N/A LYS 217.A NZ ARG 182.A O no hydrogen 2.607 N/A LYS 217.A NZ ILE 185.A O no hydrogen 2.963 N/A LYS 217.A NZ ASP 213.A OD2 no hydrogen 2.596 N/A PHE 218.A N GLY 215.A O no hydrogen 2.806 N/A GLY 219.A N THR 224.A OG1 no hydrogen 2.788 N/A VAL 220.A N GLU 216.A O no hydrogen 2.866 N/A TRP 221.A N GLU 216.A O no hydrogen 3.061 N/A THR 224.A N TRP 221.A O no hydrogen 2.892 N/A THR 224.A OG1 TRP 221.A O no hydrogen 2.685 N/A TRP 227.A N GLY 223.A O no hydrogen 3.292 N/A TRP 227.A NE1 PRO 186.A O no hydrogen 2.715 N/A VAL 228.A N THR 224.A O no hydrogen 2.796 N/A TYR 229.A N TYR 225.A O no hydrogen 2.915 N/A TYR 229.A OH PHE 218.A O no hydrogen 2.744 N/A GLU 230.A N TYR 225.A O no hydrogen 3.179 N/A LYS 231.A N GLU 226.A O no hydrogen 2.699 N/A LYS 231.A NZ GLU 226.A OE2 no hydrogen 2.995 N/A GLY 232.A N TYR 229.A O no hydrogen 2.878 N/A TRP 233.A NE1 ARG 188.A O no hydrogen 2.814 N/A LEU 234.A N VAL 228.A O no hydrogen 3.260 N/A ARG 235.A NH1 GLU 40.A OE2 no hydrogen 2.585 N/A GLU 236.A N GLY 232.A O no hydrogen 3.078 N/A PHE 237.A N TRP 233.A O no hydrogen 2.796 N/A PHE 238.A N LEU 234.A O no hydrogen 2.869 N/A ASP 239.A N ARG 235.A O no hydrogen 3.175 N/A ALA 240.A N GLU 236.A O no hydrogen 3.049 N/A ILE 241.A N PHE 237.A O no hydrogen 2.727 N/A THR 242.A N PHE 238.A O no hydrogen 3.214 N/A THR 242.A OG1 PHE 238.A O no hydrogen 2.644 N/A THR 242.A OG1 ASP 239.A O no hydrogen 3.178 N/A SER 243.A N ALA 240.A O no hydrogen 3.179 N/A SER 243.A OG ASP 239.A O no hydrogen 2.582 N/A ASN 244.A ND2 GLU 198.A OE1 no hydrogen 2.860 N/A LYS 246.A N ASN 244.A OD1 no hydrogen 3.035 N/A LYS 246.A NZ GLU 198.A O no hydrogen 3.489 N/A LYS 246.A NZ THR 201.A OG1 no hydrogen 3.428 N/A ILE 247.A N ASN 244.A O no hydrogen 3.402 N/A ASN 248.A N ILE 4.A O no hydrogen 2.745 N/A MET 250.A N PHE 6.A O no hydrogen 3.080 N/A THR 251.A OG1 GLU 79.A OE1 no hydrogen 3.400 N/A TYR 252.A N ASN 47.A OD1 no hydrogen 2.954 N/A TYR 252.A OH HIS 212.A ND1 no hydrogen 2.880 N/A SER 253.A N GLU 79.A OE1 no hydrogen 2.810 N/A SER 253.A OG GLU 79.A OE1 no hydrogen 3.095 N/A SER 253.A OG GLU 79.A OE2 no hydrogen 2.587 N/A SER 253.A OG TYR 114.A OH no hydrogen 3.394 N/A GLU 254.A N THR 251.A OG1 no hydrogen 3.339 N/A TYR 255.A N THR 251.A O no hydrogen 3.072 N/A TYR 255.A OH SER 206.A O no hydrogen 2.387 N/A LEU 256.A N TYR 252.A O no hydrogen 3.089 N/A SER 257.A N SER 253.A O no hydrogen 3.050 N/A SER 257.A N GLU 254.A O no hydrogen 3.192 N/A SER 257.A OG GLU 254.A O no hydrogen 2.720 N/A LYS 258.A N TYR 255.A O no hydrogen 3.002 N/A LYS 258.A NZ GLU 254.A OE1 no hydrogen 3.319 N/A PHE 259.A N TYR 255.A O no hydrogen 2.691 N/A ARG 262.A N PRO 162.A O no hydrogen 2.997 N/A VAL 265.A N TYR 164.A O no hydrogen 3.121 N/A TYR 266.A OH GLU 166.A OE2 no hydrogen 2.659 N/A SER 271.A OG GLU 123.A O no hydrogen 2.673 N/A TYR 272.A OH GLU 123.A OE1 no hydrogen 2.700 N/A GLU 274.A N GLU 274.A OE1 no hydrogen 2.663 N/A MET 275.A N TYR 272.A O no hydrogen 3.024 N/A SER 276.A N PHE 273.A O no hydrogen 2.769 N/A SER 276.A OG PHE 273.A O no hydrogen 3.339 N/A GLU 277.A N GLU 274.A O no hydrogen 3.189 N/A SER 279.A N MET 275.A O no hydrogen 3.191 N/A SER 279.A OG MET 275.A O no hydrogen 2.996 N/A LEU 280.A N GLU 277.A O no hydrogen 3.350 N/A ALA 285.A N PRO 281.A O no hydrogen 2.787 N/A LYS 286.A N ALA 282.A O no hydrogen 3.059 N/A LEU 287.A N LYS 283.A O no hydrogen 3.271 N/A PHE 288.A N GLN 284.A O no hydrogen 2.807 N/A VAL 289.A N ALA 285.A O no hydrogen 3.010 N/A GLU 290.A N LYS 286.A O no hydrogen 3.010 N/A PHE 291.A N LEU 287.A O no hydrogen 2.896 N/A VAL 292.A N PHE 288.A O no hydrogen 2.919 N/A GLU 293.A N VAL 289.A O no hydrogen 2.879 N/A GLN 294.A N GLU 290.A O no hydrogen 2.910 N/A LEU 295.A N PHE 291.A O no hydrogen 3.045 N/A LEU 295.A N VAL 292.A O no hydrogen 3.090 N/A LYS 296.A N VAL 292.A O no hydrogen 3.070 N/A GLU 297.A N GLU 293.A O no hydrogen 2.772 N/A GLU 298.A N LEU 295.A O no hydrogen 3.271 N/A GLY 299.A N LYS 296.A O no hydrogen 3.247 N/A LYS 300.A N LEU 295.A O no hydrogen 3.034 N/A ARG 305.A N PHE 301.A O no hydrogen 2.749 N/A PHE 307.A N TYR 304.A O no hydrogen 2.967 N/A VAL 308.A N ARG 305.A O no hydrogen 3.093 N/A ARG 309.A NH1 VAL 306.A O no hydrogen 3.089 N/A ARG 309.A NH1 VAL 308.A O no hydrogen 2.629 N/A ARG 309.A NH2 VAL 306.A O no hydrogen 2.982 N/A GLY 311.A N SER 276.A O no hydrogen 2.904 N/A LYS 314.A NZ ALA 91.A O no hydrogen 3.037 N/A LYS 314.A NZ GLN 127.A OE1 no hydrogen 3.283 N/A ASN 315.A N ILE 312.A O no hydrogen 3.057 N/A PHE 316.A N TRP 313.A O no hydrogen 2.891 N/A PHE 317.A N LYS 314.A O no hydrogen 3.071 N/A PHE 318.A N ASN 315.A O no hydrogen 3.167 N/A LYS 319.A N ASN 315.A O no hydrogen 2.992 N/A LYS 319.A NZ TRP 278.A O no hydrogen 2.974 N/A LYS 319.A NZ LEU 280.A O no hydrogen 3.027 N/A TYR 320.A N PHE 316.A O no hydrogen 2.708 N/A TYR 320.A OH GLU 441.A OE1 no hydrogen 3.125 N/A TYR 320.A OH GLU 441.A OE2 no hydrogen 2.975 N/A SER 323.A N TYR 320.A O no hydrogen 2.984 N/A SER 323.A OG TYR 356.A O no hydrogen 2.725 N/A ASN 324.A N TYR 320.A O no hydrogen 3.116 N/A ASN 324.A ND2 ASP 394.A O no hydrogen 2.969 N/A PHE 325.A N PRO 321.A O no hydrogen 2.921 N/A MET 326.A N GLU 322.A O no hydrogen 3.183 N/A HIS 327.A N SER 323.A O no hydrogen 2.750 N/A HIS 327.A NE2 ALA 92.A O no hydrogen 2.672 N/A LYS 328.A N ASN 324.A O no hydrogen 2.841 N/A LYS 328.A NZ ASN 324.A OD1 no hydrogen 2.592 N/A LYS 328.A NZ HIS 327.A ND1 no hydrogen 3.122 N/A ARG 329.A N PHE 325.A O no hydrogen 3.008 N/A ARG 329.A NE GLU 422.A OE2 no hydrogen 2.849 N/A ARG 329.A NH1 GLN 381.A OE1 no hydrogen 2.868 N/A ARG 329.A NH2 GLN 381.A OE1 no hydrogen 2.902 N/A ARG 329.A NH2 GLU 422.A OE1 no hydrogen 2.861 N/A ARG 329.A NH2 GLU 422.A OE2 no hydrogen 3.550 N/A MET 330.A N MET 326.A O no hydrogen 3.117 N/A LEU 331.A N HIS 327.A O no hydrogen 2.976 N/A MET 332.A N LYS 328.A O no hydrogen 2.898 N/A VAL 333.A N ARG 329.A O no hydrogen 2.985 N/A SER 334.A N MET 330.A O no hydrogen 2.767 N/A SER 334.A OG ASP 97.A OD1 no hydrogen 3.565 N/A SER 334.A OG ASP 97.A OD2 no hydrogen 2.619 N/A LYS 335.A N LEU 331.A O no hydrogen 3.236 N/A ALA 336.A N MET 332.A O no hydrogen 3.439 N/A VAL 337.A N VAL 333.A O no hydrogen 3.008 N/A ARG 338.A N LYS 335.A O no hydrogen 3.442 N/A ARG 338.A NH2 SER 334.A OG no hydrogen 2.951 N/A ASN 340.A N VAL 337.A O no hydrogen 3.008 N/A ALA 343.A N ASN 340.A OD1 no hydrogen 3.046 N/A ARG 344.A N ASN 340.A O no hydrogen 2.665 N/A ARG 344.A NE ASP 97.A OD1 no hydrogen 3.314 N/A ARG 344.A NH2 ASP 97.A OD1 no hydrogen 2.930 N/A LYS 345.A N PRO 341.A O no hydrogen 2.980 N/A TYR 346.A N ALA 343.A O no hydrogen 3.021 N/A LEU 348.A N ARG 344.A O no hydrogen 2.995 N/A LYS 349.A N LYS 345.A O no hydrogen 3.153 N/A ALA 350.A N TYR 346.A O no hydrogen 3.151 N/A GLN 351.A N LEU 348.A O no hydrogen 3.231 N/A GLN 351.A NE2 ASP 97.A OD2 no hydrogen 2.763 N/A CYS 352.A N LYS 349.A O no hydrogen 3.353 N/A CYS 352.A SG ASP 354.A OD2 no hydrogen 3.612 N/A ASN 353.A N GLU 87.A O no hydrogen 3.096 N/A ASN 353.A ND2 GLU 87.A O no hydrogen 2.803 N/A TYR 356.A N ASN 353.A O no hydrogen 2.915 N/A TYR 356.A OH ALA 350.A O no hydrogen 2.579 N/A TRP 357.A N ASP 354.A O no hydrogen 3.437 N/A TRP 357.A NE1 ASN 353.A OD1 no hydrogen 2.956 N/A HIS 358.A ND1 GLY 362.A O no hydrogen 2.930 N/A HIS 358.A NE2 TYR 443.A OH no hydrogen 2.652 N/A ILE 364.A N TRP 357.A O no hydrogen 2.892 N/A TYR 365.A N GLY 362.A O no hydrogen 3.260 N/A TYR 365.A OH GLU 441.A OE2 no hydrogen 2.710 N/A LEU 366.A N GLY 363.A O no hydrogen 2.953 N/A LEU 369.A N LEU 366.A O no hydrogen 3.076 N/A ARG 370.A N LEU 366.A O no hydrogen 3.173 N/A ARG 370.A NE ILE 364.A O no hydrogen 2.799 N/A ARG 370.A NH1 ASP 434.A O no hydrogen 3.101 N/A ARG 370.A NH2 ILE 364.A O no hydrogen 2.959 N/A ARG 370.A NH2 GLN 613.A OE1 no hydrogen 2.381 N/A ARG 371.A N PRO 367.A O no hydrogen 2.786 N/A ARG 371.A NH2 GLY 579.A O no hydrogen 2.805 N/A THR 372.A OG1 HIS 368.A O no hydrogen 2.737 N/A VAL 373.A N LEU 369.A O no hydrogen 3.393 N/A TRP 374.A N ARG 370.A O no hydrogen 3.073 N/A GLU 375.A N ARG 371.A O no hydrogen 2.657 N/A ASN 376.A N THR 372.A O no hydrogen 3.187 N/A ILE 377.A N VAL 373.A O no hydrogen 2.937 N/A ILE 378.A N TRP 374.A O no hydrogen 2.952 N/A LYS 379.A N GLU 375.A O no hydrogen 3.112 N/A ALA 380.A N ASN 376.A O no hydrogen 3.177 N/A GLN 381.A N ILE 377.A O no hydrogen 3.051 N/A ARG 382.A N ILE 378.A O no hydrogen 2.849 N/A TYR 383.A N ALA 380.A O no hydrogen 3.299 N/A TYR 383.A OH GLU 342.A OE1 no hydrogen 2.688 N/A LEU 384.A N GLN 381.A O no hydrogen 2.692 N/A GLU 387.A N GLU 404.A OE1 no hydrogen 3.314 N/A LYS 389.A N MET 402.A O no hydrogen 3.064 N/A LYS 389.A NZ GLU 387.A O no hydrogen 3.062 N/A LEU 391.A N GLU 400.A O no hydrogen 3.098 N/A VAL 393.A N GLU 400.A OE1 no hydrogen 2.758 N/A ASP 396.A N ASP 392.A OD1 no hydrogen 3.181 N/A GLY 397.A N ASP 392.A OD2 no hydrogen 2.651 N/A ARG 398.A N ASP 396.A OD2 no hydrogen 2.882 N/A GLU 400.A N LEU 391.A O no hydrogen 2.546 N/A ILE 401.A N ILE 412.A O no hydrogen 2.863 N/A MET 402.A N LYS 389.A O no hydrogen 2.936 N/A VAL 403.A N ALA 410.A O no hydrogen 2.893 N/A GLU 404.A N ASN 388.A OD1 no hydrogen 2.788 N/A ASN 405.A N PHE 408.A O no hydrogen 3.128 N/A ASN 405.A ND2 THR 529.A O no hydrogen 3.004 N/A GLY 407.A N ASN 405.A OD1 no hydrogen 2.950 N/A PHE 408.A N ASN 405.A OD1 no hydrogen 2.854 N/A ILE 409.A N SER 424.A O no hydrogen 3.037 N/A ALA 410.A N VAL 403.A O no hydrogen 2.809 N/A THR 411.A N GLU 422.A O no hydrogen 2.751 N/A THR 411.A OG1 GLU 422.A OE2 no hydrogen 2.789 N/A ILE 412.A N ILE 401.A O no hydrogen 2.778 N/A LYS 413.A N SER 419.A O no hydrogen 2.946 N/A LYS 413.A NZ ASP 394.A OD1 no hydrogen 3.281 N/A TYR 416.A N LYS 413.A O no hydrogen 3.098 N/A GLY 417.A N GLN 493.A O no hydrogen 2.891 N/A GLY 418.A N PRO 414.A O no hydrogen 3.188 N/A SER 419.A N TYR 416.A O no hydrogen 3.279 N/A SER 419.A OG GLY 417.A O no hydrogen 3.283 N/A SER 419.A OG LEU 465.A O no hydrogen 2.762 N/A ILE 420.A N ILE 464.A O no hydrogen 2.823 N/A PHE 421.A N THR 411.A O no hydrogen 2.713 N/A GLU 422.A N THR 411.A O no hydrogen 3.202 N/A SER 424.A N ILE 409.A O no hydrogen 2.848 N/A SER 424.A OG GLU 422.A OE1 no hydrogen 2.781 N/A SER 425.A N VAL 430.A O no hydrogen 2.784 N/A SER 425.A OG GLU 635.A OE2 no hydrogen 2.568 N/A LYS 426.A N GLY 407.A O no hydrogen 2.961 N/A LYS 426.A NZ ASN 405.A O no hydrogen 2.661 N/A ARG 427.A NH1 LEU 636.A O no hydrogen 3.100 N/A LYS 428.A N SER 425.A OG no hydrogen 2.854 N/A LYS 428.A NZ TYR 432.A OH no hydrogen 3.066 N/A LYS 428.A NZ ILE 580.A O no hydrogen 2.870 N/A LYS 428.A NZ LYS 582.A O no hydrogen 2.869 N/A LYS 428.A NZ LEU 636.A O no hydrogen 3.298 N/A ASN 431.A ND2 LEU 423.A O no hydrogen 3.516 N/A TYR 432.A N LEU 423.A O no hydrogen 2.674 N/A TYR 432.A OH GLU 635.A OE2 no hydrogen 2.523 N/A ASN 433.A ND2 PHE 421.A O no hydrogen 2.775 N/A ASN 433.A ND2 ARG 462.A O no hydrogen 3.143 N/A ASP 434.A N ASN 431.A O no hydrogen 3.025 N/A VAL 435.A N ASN 433.A O no hydrogen 2.537 N/A ARG 438.A N ASP 458.A OD2 no hydrogen 2.811 N/A ARG 438.A NE ASP 458.A OD2 no hydrogen 2.931 N/A ARG 438.A NH1 ARG 480.A O no hydrogen 3.000 N/A ARG 438.A NH2 ASP 458.A OD1 no hydrogen 2.636 N/A ARG 438.A NH2 ARG 480.A O no hydrogen 3.343 N/A ARG 439.A NH1 GLU 322.A OE1 no hydrogen 3.057 N/A ARG 439.A NH2 GLU 322.A OE1 no hydrogen 3.096 N/A ARG 439.A NH2 GLU 322.A OE2 no hydrogen 3.105 N/A GLU 441.A N HIS 444.A ND1 no hydrogen 3.259 N/A HIS 442.A NE2 GLU 277.A OE2 no hydrogen 2.695 N/A TYR 443.A OH HIS 358.A NE2 no hydrogen 2.652 N/A HIS 444.A N GLU 441.A O no hydrogen 2.907 N/A HIS 444.A ND1 TYR 457.A OH no hydrogen 2.845 N/A ARG 452.A N PRO 448.A O no hydrogen 3.215 N/A ARG 453.A N GLU 449.A O no hydrogen 3.361 N/A GLU 454.A N ILE 451.A O no hydrogen 2.855 N/A LEU 455.A N ARG 452.A O no hydrogen 3.125 N/A TYR 457.A OH HIS 444.A ND1 no hydrogen 2.845 N/A ASP 458.A N ARG 438.A O no hydrogen 2.731 N/A GLN 460.A NE2 LEU 461.A O no hydrogen 3.221 N/A GLN 460.A NE2 GLU 552.A OE1 no hydrogen 2.870 N/A LEU 461.A N TYR 416.A OH no hydrogen 2.784 N/A ARG 462.A NE ASP 458.A OD2 no hydrogen 3.023 N/A ARG 462.A NH1 GLU 552.A OE2 no hydrogen 2.918 N/A ARG 462.A NH1 ASN 554.A OD1 no hydrogen 2.928 N/A ARG 462.A NH2 ASP 458.A OD1 no hydrogen 2.769 N/A ALA 463.A N GLN 466.A OE1 no hydrogen 2.931 N/A ILE 464.A N ILE 420.A O no hydrogen 2.793 N/A LEU 465.A N GLU 552.A O no hydrogen 2.787 N/A GLN 466.A N GLU 552.A O no hydrogen 2.885 N/A GLN 466.A NE2 LEU 461.A O no hydrogen 2.961 N/A HIS 468.A N GLY 550.A O no hydrogen 2.791 N/A HIS 468.A ND1 GLU 486.A OE1 no hydrogen 2.793 N/A HIS 468.A NE2 GLU 552.A OE1 no hydrogen 2.838 N/A PHE 469.A N GLU 486.A OE2 no hydrogen 2.797 N/A ILE 470.A N LEU 548.A O no hydrogen 2.899 N/A GLU 474.A N LYS 471.A O no hydrogen 2.676 N/A THR 475.A N GLU 474.A OE2 no hydrogen 3.260 N/A ASN 478.A N THR 475.A OG1 no hydrogen 3.279 N/A ASN 478.A ND2 GLU 474.A OE2 no hydrogen 2.993 N/A TYR 479.A N THR 475.A O no hydrogen 3.097 N/A TYR 479.A OH THR 618.A OG1 no hydrogen 3.021 N/A ARG 480.A N LEU 476.A O no hydrogen 2.603 N/A LEU 481.A N ASP 477.A O no hydrogen 3.115 N/A LYS 483.A N ASN 478.A O no hydrogen 2.942 N/A TYR 484.A N ASN 478.A O no hydrogen 2.965 N/A HIS 485.A N GLU 474.A OE1 no hydrogen 2.974 N/A LEU 487.A N PHE 469.A O no hydrogen 2.689 N/A GLY 488.A N GLU 486.A OE2 no hydrogen 3.145 N/A TYR 495.A N PRO 414.A O no hydrogen 2.931 N/A TYR 495.A OH ASP 467.A OD2 no hydrogen 2.612 N/A GLU 496.A N TRP 507.A O no hydrogen 2.748 N/A GLU 498.A N LYS 505.A O no hydrogen 2.656 N/A ILE 500.A N GLY 503.A O no hydrogen 3.003 N/A VAL 504.A N ILE 526.A O no hydrogen 2.808 N/A LYS 505.A N GLU 498.A O no hydrogen 2.671 N/A LEU 506.A N LYS 524.A O no hydrogen 2.888 N/A TRP 507.A N GLU 496.A O no hydrogen 2.979 N/A ARG 508.A N VAL 522.A O no hydrogen 2.854 N/A ARG 508.A NE ASP 489.A O no hydrogen 3.080 N/A ARG 508.A NH1 PRO 494.A O no hydrogen 2.870 N/A ARG 508.A NH2 ASP 489.A OD2 no hydrogen 2.691 N/A GLY 510.A N ALA 520.A O no hydrogen 2.799 N/A GLY 511.A N ASP 489.A OD1 no hydrogen 2.894 N/A VAL 512.A N ILE 518.A O no hydrogen 2.924 N/A ALA 520.A N GLY 510.A O no hydrogen 3.150 N/A ARG 521.A N LEU 540.A O no hydrogen 2.927 N/A VAL 522.A N ARG 508.A O no hydrogen 3.076 N/A GLU 523.A N ARG 538.A O no hydrogen 3.317 N/A LYS 524.A N LEU 506.A O no hydrogen 2.764 N/A LYS 524.A NZ GLY 417.A O no hydrogen 3.049 N/A LYS 524.A NZ GLY 418.A O no hydrogen 3.399 N/A LYS 524.A NZ LEU 465.A O no hydrogen 3.018 N/A LYS 524.A NZ ASP 467.A OD1 no hydrogen 3.550 N/A LYS 524.A NZ ASP 467.A OD2 no hydrogen 2.739 N/A LYS 525.A N LYS 536.A O no hydrogen 2.964 N/A ILE 526.A N VAL 504.A O no hydrogen 2.962 N/A GLU 527.A N ILE 534.A O no hydrogen 2.940 N/A LEU 528.A N ASN 502.A O no hydrogen 2.795 N/A THR 529.A N GLY 532.A O no hydrogen 2.848 N/A THR 529.A OG1 ASP 531.A OD1 no hydrogen 3.179 N/A GLY 532.A N THR 529.A O no hydrogen 3.385 N/A PHE 533.A N PHE 633.A O no hydrogen 3.290 N/A ILE 534.A N GLU 527.A O no hydrogen 2.899 N/A ALA 535.A N VAL 631.A O no hydrogen 2.768 N/A LYS 536.A N LYS 525.A O no hydrogen 3.044 N/A TYR 537.A N PHE 629.A O no hydrogen 2.775 N/A TYR 537.A OH ASP 467.A OD1 no hydrogen 2.361 N/A ARG 538.A N GLU 523.A O no hydrogen 3.019 N/A VAL 539.A N LEU 627.A O no hydrogen 2.844 N/A LEU 540.A N ARG 521.A O no hydrogen 3.011 N/A LEU 541.A N LYS 625.A O no hydrogen 3.056 N/A GLU 542.A N PRO 519.A O no hydrogen 3.159 N/A LYS 543.A NZ GLU 516.A OE1 no hydrogen 3.261 N/A TYR 545.A N GLU 624.A O no hydrogen 2.993 N/A TYR 545.A OH GLU 515.A OE1 no hydrogen 3.394 N/A ALA 547.A N ILE 623.A O no hydrogen 2.822 N/A LEU 548.A N ILE 470.A O no hydrogen 2.841 N/A PHE 549.A N PHE 621.A O no hydrogen 2.878 N/A GLY 550.A N HIS 468.A O no hydrogen 3.176 N/A VAL 551.A N MET 619.A O no hydrogen 3.094 N/A GLU 552.A N GLN 466.A O no hydrogen 2.827 N/A ILE 553.A N TYR 617.A O no hydrogen 2.670 N/A ASN 554.A N ALA 463.A O no hydrogen 3.250 N/A ASN 554.A ND2 ALA 463.A O no hydrogen 2.796 N/A LEU 555.A N VAL 615.A O no hydrogen 2.825 N/A ALA 556.A N TYR 432.A O no hydrogen 2.809 N/A VAL 557.A N LEU 555.A O no hydrogen 2.606 N/A HIS 558.A N ASP 576.A OD2 no hydrogen 2.866 N/A SER 559.A N ASP 576.A OD1 no hydrogen 2.706 N/A SER 559.A OG ASP 576.A OD1 no hydrogen 2.520 N/A GLU 562.A N GLN 612.A OE1 no hydrogen 3.170 N/A LYS 563.A N GLU 562.A OE2 no hydrogen 3.390 N/A LYS 563.A NZ GLU 562.A O no hydrogen 3.375 N/A GLU 565.A N LYS 595.A O no hydrogen 2.881 N/A PHE 567.A N VAL 593.A O no hydrogen 2.987 N/A ALA 569.A N ALA 591.A O no hydrogen 3.158 N/A PHE 572.A N ILE 585.A O no hydrogen 2.908 N/A VAL 574.A N VAL 583.A O no hydrogen 2.841 N/A ASP 576.A N GLY 581.A O no hydrogen 2.636 N/A TYR 578.A N SER 559.A OG no hydrogen 3.068 N/A GLY 579.A N ASP 576.A O no hydrogen 3.083 N/A ILE 580.A N ASP 576.A OD2 no hydrogen 2.967 N/A GLY 581.A N ASP 576.A O no hydrogen 2.694 N/A VAL 583.A N VAL 574.A O no hydrogen 2.962 N/A ARG 584.A N ARG 634.A O no hydrogen 2.764 N/A ARG 584.A NE GLU 573.A OE1 no hydrogen 3.079 N/A ARG 584.A NH1 GLU 586.A OE2 no hydrogen 3.272 N/A ARG 584.A NH2 GLU 573.A OE1 no hydrogen 3.161 N/A ILE 585.A N PHE 572.A O no hydrogen 2.863 N/A GLU 586.A N ARG 632.A O no hydrogen 2.849 N/A LEU 587.A N LYS 570.A O no hydrogen 2.656 N/A LYS 589.A NZ GLU 628.A O no hydrogen 2.929 N/A ALA 591.A N ALA 569.A O no hydrogen 2.902 N/A LYS 592.A N LEU 620.A O no hydrogen 2.923 N/A VAL 593.A N PHE 567.A O no hydrogen 2.798 N/A TRP 594.A N THR 618.A O no hydrogen 2.780 N/A LYS 595.A N GLU 565.A O no hydrogen 2.776 N/A LYS 595.A NZ GLU 562.A OE1 no hydrogen 2.937 N/A LYS 595.A NZ GLU 562.A OE2 no hydrogen 2.907 N/A LYS 595.A NZ GLU 565.A OE1 no hydrogen 3.032 N/A PHE 596.A N SER 616.A O no hydrogen 3.246 N/A ILE 598.A N GLY 614.A O no hydrogen 2.753 N/A THR 600.A N ILE 611.A O no hydrogen 2.976 N/A SER 602.A N ASP 609.A O no hydrogen 3.018 N/A SER 604.A N GLY 607.A O no hydrogen 3.120 N/A ALA 606.A N SER 604.A OG no hydrogen 3.375 N/A ASP 609.A N SER 602.A O no hydrogen 2.907 N/A ILE 611.A N THR 600.A O no hydrogen 2.954 N/A GLN 612.A NE2 VAL 557.A O no hydrogen 2.979 N/A GLN 612.A NE2 VAL 560.A O no hydrogen 2.735 N/A GLN 613.A N ILE 598.A O no hydrogen 2.782 N/A GLN 613.A NE2 TYR 365.A O no hydrogen 2.850 N/A VAL 615.A N LEU 555.A O no hydrogen 2.886 N/A SER 616.A N PHE 596.A O no hydrogen 2.972 N/A SER 616.A OG GLU 552.A OE2 no hydrogen 2.664 N/A TYR 617.A N ILE 553.A O no hydrogen 2.953 N/A THR 618.A N TRP 594.A O no hydrogen 2.798 N/A THR 618.A OG1 TYR 479.A OH no hydrogen 3.021 N/A MET 619.A N VAL 551.A O no hydrogen 2.918 N/A LEU 620.A N LYS 592.A O no hydrogen 2.682 N/A PHE 621.A N PHE 549.A O no hydrogen 2.813 N/A ILE 623.A N ALA 547.A O no hydrogen 2.868 N/A LYS 625.A NZ LEU 541.A O no hydrogen 2.918 N/A LEU 627.A N VAL 539.A O no hydrogen 3.100 N/A PHE 629.A N TYR 537.A O no hydrogen 3.280 N/A VAL 631.A N ALA 535.A O no hydrogen 2.844 N/A ARG 632.A N GLU 586.A O no hydrogen 2.784 N/A ARG 632.A NH2 ASP 531.A OD1 no hydrogen 3.299 N/A PHE 633.A N PHE 533.A O no hydrogen 2.984 N/A ARG 634.A N ARG 584.A O no hydrogen 2.770 N/A ARG 634.A NE ASP 531.A OD2 no hydrogen 2.848 N/A ARG 634.A NH1 GLU 586.A OE1 no hydrogen 3.229 N/A ARG 634.A NH1 GLU 586.A OE2 no hydrogen 3.221 N/A ARG 634.A NH2 ASP 531.A OD2 no hydrogen 3.435 N/A GLU 635.A N ASP 531.A O no hydrogen 2.626 N/A LEU 636.A N LYS 582.A O no hydrogen 2.903 N/A