Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i3l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NE LEU 26.A O no hydrogen 2.962 N/A ARG 4.A NH1 HIS 1.A O no hydrogen 3.138 N/A ARG 4.A NH1 THR 3.A O no hydrogen 2.821 N/A SER 5.A N HIS 28.A ND1 no hydrogen 3.027 N/A SER 5.A OG THR 325.A OG1 no hydrogen 2.688 N/A LYS 6.A N ASP 157.A OD2 no hydrogen 2.812 N/A LYS 6.A NZ ASP 29.A OD2 no hydrogen 3.189 N/A VAL 7.A N ASP 29.A O no hydrogen 2.873 N/A ALA 8.A N PHE 158.A O no hydrogen 3.049 N/A ILE 9.A N THR 31.A O no hydrogen 2.810 N/A ILE 10.A N ILE 160.A O no hydrogen 2.896 N/A GLY 11.A N TYR 33.A O no hydrogen 2.763 N/A GLY 12.A N GLU 34.A OE1 no hydrogen 2.775 N/A SER 17.A N GLY 13.A O no hydrogen 2.958 N/A SER 17.A OG GLY 12.A O no hydrogen 3.560 N/A VAL 18.A N PRO 14.A O no hydrogen 3.019 N/A ALA 19.A N ALA 15.A O no hydrogen 2.939 N/A GLY 20.A N GLY 16.A O no hydrogen 2.933 N/A LEU 21.A N SER 17.A O no hydrogen 2.882 N/A THR 22.A N VAL 18.A O no hydrogen 2.968 N/A THR 22.A OG1 VAL 18.A O no hydrogen 2.834 N/A LEU 23.A N ALA 19.A O no hydrogen 2.896 N/A HIS 24.A N GLY 20.A O no hydrogen 2.858 N/A LYS 25.A N LEU 21.A O no hydrogen 3.116 N/A LEU 26.A N THR 22.A O no hydrogen 2.974 N/A GLY 27.A N HIS 24.A O no hydrogen 2.792 N/A HIS 28.A N LEU 23.A O no hydrogen 2.891 N/A HIS 28.A NE2 ASP 322.A OD1 no hydrogen 2.599 N/A ASP 29.A N SER 5.A O no hydrogen 2.979 N/A THR 31.A N VAL 7.A O no hydrogen 3.016 N/A ILE 32.A N THR 123.A O no hydrogen 2.864 N/A TYR 33.A N ILE 9.A O no hydrogen 2.931 N/A GLU 34.A N HIS 125.A O no hydrogen 2.949 N/A SER 36.A N GLU 34.A OE2 no hydrogen 2.904 N/A PHE 38.A N GLU 126.A OE1 no hydrogen 2.772 N/A ARG 40.A NH1 ASP 110.A OD2 no hydrogen 2.881 N/A ARG 40.A NH2 ARG 40.A O no hydrogen 2.975 N/A ARG 40.A NH2 ASP 110.A OD2 no hydrogen 3.093 N/A TYR 41.A OH TYR 190.A OH no hydrogen 2.622 N/A SER 46.A OG THR 205.A OG1 no hydrogen 2.858 N/A LEU 47.A N VAL 102.A O no hydrogen 3.073 N/A GLY 50.A N GLY 548.A O no hydrogen 2.684 N/A THR 51.A N LEU 48.A O no hydrogen 3.083 N/A MET 52.A N LEU 48.A O no hydrogen 3.366 N/A SER 53.A N PRO 49.A O no hydrogen 2.945 N/A SER 53.A OG TRP 96.A O no hydrogen 2.957 N/A ILE 54.A N GLY 50.A O no hydrogen 3.323 N/A LEU 55.A N THR 51.A O no hydrogen 2.968 N/A ASN 56.A N MET 52.A O no hydrogen 2.830 N/A ARG 57.A N SER 53.A O no hydrogen 3.062 N/A ARG 57.A NE SER 53.A OG no hydrogen 3.259 N/A ARG 57.A NH1 SER 53.A OG no hydrogen 3.057 N/A ARG 57.A NH2 PRO 457.A O no hydrogen 2.833 N/A LEU 58.A N ILE 54.A O no hydrogen 3.045 N/A LEU 58.A N LEU 55.A O no hydrogen 3.276 N/A GLY 59.A N ASN 56.A O no hydrogen 2.888 N/A LEU 60.A N LEU 55.A O no hydrogen 2.994 N/A GLN 61.A NE2 GLN 61.A O no hydrogen 3.354 N/A GLN 61.A NE2 ASP 65.A OD1 no hydrogen 3.095 N/A LYS 63.A NZ LEU 112.A O no hydrogen 3.481 N/A ILE 64.A N LEU 60.A O no hydrogen 2.889 N/A ASP 65.A N GLN 61.A O no hydrogen 2.868 N/A ALA 66.A N GLU 62.A O no hydrogen 2.990 N/A GLN 67.A N ILE 64.A O no hydrogen 2.859 N/A ASN 68.A N ASP 65.A O no hydrogen 3.248 N/A LYS 72.A N ALA 101.A O no hydrogen 2.780 N/A LYS 72.A NZ SER 46.A OG no hydrogen 2.798 N/A SER 74.A OG THR 204.A OG1 no hydrogen 2.997 N/A ALA 75.A N PHE 88.A O no hydrogen 3.153 N/A THR 76.A N THR 205.A O no hydrogen 2.729 N/A THR 76.A OG1 THR 87.A OG1 no hydrogen 2.698 N/A THR 76.A OG1 THR 204.A OG1 no hydrogen 2.922 N/A PHE 77.A N TRP 86.A O no hydrogen 2.797 N/A LEU 78.A N SER 207.A O no hydrogen 2.769 N/A TRP 79.A NE1 PHE 356.A O no hydrogen 2.814 N/A GLY 80.A N THR 209.A OG1 no hydrogen 2.861 N/A GLN 81.A N THR 363.A OG1 no hydrogen 2.768 N/A GLN 81.A NE2 THR 209.A O no hydrogen 3.479 N/A GLN 81.A NE2 GLU 364.A OE2 no hydrogen 2.532 N/A GLN 83.A NE2 GLN 81.A O no hydrogen 3.248 N/A TRP 86.A N PHE 77.A O no hydrogen 3.088 N/A THR 87.A N GLY 403.A O no hydrogen 2.882 N/A THR 87.A OG1 THR 76.A OG1 no hydrogen 2.698 N/A THR 87.A OG1 HIS 405.A NE2 no hydrogen 2.789 N/A PHE 88.A N ALA 75.A O no hydrogen 2.749 N/A SER 89.A OG GLU 416.A OE1 no hydrogen 2.474 N/A PHE 90.A N PRO 73.A O no hydrogen 3.001 N/A ALA 91.A N SER 89.A OG no hydrogen 3.004 N/A VAL 97.A N ALA 94.A O no hydrogen 3.108 N/A HIS 100.A ND1 ASP 99.A OD1 no hydrogen 2.930 N/A ALA 101.A N LYS 72.A O no hydrogen 3.078 N/A GLN 103.A N VAL 70.A O no hydrogen 2.909 N/A GLN 103.A NE2 SER 46.A OG no hydrogen 2.904 N/A VAL 104.A N GLU 45.A O no hydrogen 2.901 N/A ARG 106.A NE ASP 110.A OD1 no hydrogen 2.671 N/A ARG 106.A NE ASP 110.A OD2 no hydrogen 3.331 N/A ARG 106.A NH1 GLY 44.A O no hydrogen 3.196 N/A ARG 106.A NH2 ASP 110.A OD1 no hydrogen 3.315 N/A ARG 106.A NH2 ASP 110.A OD2 no hydrogen 2.817 N/A GLU 108.A N LYS 105.A O no hydrogen 2.942 N/A PHE 109.A N LYS 105.A O no hydrogen 3.002 N/A ASP 110.A N ARG 106.A O no hydrogen 2.785 N/A LYS 111.A NZ ASP 115.A OD2 no hydrogen 3.210 N/A LEU 112.A N GLU 108.A O no hydrogen 3.034 N/A LEU 112.A N PHE 109.A O no hydrogen 3.227 N/A LEU 113.A N PHE 109.A O no hydrogen 3.308 N/A LEU 114.A N ASP 110.A O no hydrogen 3.172 N/A ASP 115.A N LYS 111.A O no hydrogen 3.018 N/A GLU 116.A N LEU 112.A O no hydrogen 2.949 N/A ALA 117.A N LEU 113.A O no hydrogen 2.985 N/A ARG 118.A N LEU 114.A O no hydrogen 3.040 N/A ARG 118.A NH2 GLU 126.A OE2 no hydrogen 3.035 N/A SER 119.A N ASP 115.A O no hydrogen 3.055 N/A SER 119.A OG ASP 115.A O no hydrogen 3.330 N/A ARG 120.A N ALA 117.A O no hydrogen 3.023 N/A ARG 120.A NE GLU 116.A OE2 no hydrogen 2.601 N/A ARG 120.A NH1 LEU 58.A O no hydrogen 2.944 N/A ARG 120.A NH2 LEU 58.A O no hydrogen 2.767 N/A ARG 120.A NH2 GLU 116.A OE2 no hydrogen 3.213 N/A GLY 121.A N ARG 118.A O no hydrogen 2.787 N/A ILE 122.A N ALA 117.A O no hydrogen 3.299 N/A THR 123.A N VAL 30.A O no hydrogen 3.371 N/A HIS 125.A N ILE 32.A O no hydrogen 2.838 N/A GLU 127.A N SER 36.A O no hydrogen 2.894 N/A THR 128.A N GLU 34.A O no hydrogen 2.903 N/A THR 128.A OG1 GLU 126.A O no hydrogen 2.879 N/A THR 131.A N THR 144.A O no hydrogen 2.655 N/A ASP 132.A N THR 144.A O no hydrogen 3.134 N/A ASP 134.A N VAL 142.A O no hydrogen 2.900 N/A SER 136.A N ASP 134.A OD1 no hydrogen 3.024 N/A SER 136.A OG ASP 134.A OD1 no hydrogen 2.711 N/A ASP 139.A N ASP 137.A OD1 no hydrogen 2.982 N/A ARG 140.A N ASP 137.A O no hydrogen 3.265 N/A ARG 140.A NE GLU 155.A OE2 no hydrogen 2.726 N/A ARG 140.A NH1 ASP 137.A OD2 no hydrogen 2.707 N/A ARG 140.A NH2 GLU 155.A OE2 no hydrogen 3.362 N/A VAL 141.A N SER 156.A O no hydrogen 2.859 N/A VAL 142.A N ASP 134.A O no hydrogen 3.007 N/A LEU 143.A N VAL 154.A O no hydrogen 2.796 N/A THR 144.A N ASP 132.A O no hydrogen 2.734 N/A VAL 145.A N VAL 152.A O no hydrogen 2.723 N/A ARG 146.A N PRO 129.A O no hydrogen 3.091 N/A ARG 147.A N GLU 150.A O no hydrogen 2.872 N/A GLU 150.A N ARG 147.A O no hydrogen 3.222 N/A VAL 152.A N VAL 145.A O no hydrogen 2.640 N/A VAL 154.A N LEU 143.A O no hydrogen 2.897 N/A SER 156.A N VAL 141.A O no hydrogen 2.943 N/A SER 156.A OG PHE 158.A O no hydrogen 2.787 N/A ASP 157.A N LYS 6.A O no hydrogen 2.902 N/A PHE 158.A N LYS 6.A O no hydrogen 3.224 N/A VAL 159.A N ARG 288.A O no hydrogen 2.920 N/A ILE 160.A N ALA 8.A O no hydrogen 2.877 N/A ASP 161.A N PHE 290.A O no hydrogen 2.825 N/A ALA 162.A N ILE 10.A O no hydrogen 2.756 N/A GLY 163.A N ASP 161.A OD1 no hydrogen 2.728 N/A SER 165.A OG TYR 279.A OH no hydrogen 2.860 N/A GLY 167.A N GLY 164.A O no hydrogen 2.821 N/A ILE 169.A N ASP 161.A OD2 no hydrogen 2.947 N/A LYS 172.A N PRO 168.A O no hydrogen 2.843 N/A LYS 172.A NZ VAL 133.A O no hydrogen 3.084 N/A LEU 173.A N ILE 169.A O no hydrogen 2.866 N/A GLY 174.A N ARG 171.A O no hydrogen 3.020 N/A VAL 175.A N SER 170.A O no hydrogen 3.296 N/A ARG 176.A NH1 SER 165.A O no hydrogen 2.808 N/A ARG 176.A NH1 TYR 178.A OH no hydrogen 3.498 N/A ARG 176.A NH2 SER 165.A O no hydrogen 3.064 N/A GLN 177.A N ASP 280.A O no hydrogen 2.864 N/A ASP 179.A N SER 278.A O no hydrogen 2.917 N/A PHE 181.A N ASP 179.A OD2 no hydrogen 2.873 N/A TYR 182.A N ASP 179.A OD2 no hydrogen 2.725 N/A ARG 183.A N PHE 181.A O no hydrogen 3.014 N/A ARG 183.A NE ASP 179.A O no hydrogen 2.911 N/A ARG 183.A NH2 ASP 179.A O no hydrogen 3.364 N/A ASN 184.A ND2 ASP 300.A OD2 no hydrogen 2.765 N/A PHE 185.A N VAL 231.A O no hydrogen 2.889 N/A ALA 186.A N VAL 274.A O no hydrogen 2.821 N/A VAL 187.A N LEU 229.A O no hydrogen 3.074 N/A TRP 188.A N ARG 272.A O no hydrogen 3.091 N/A TRP 188.A NE1 TYR 41.A OH no hydrogen 2.753 N/A SER 189.A N VAL 227.A O no hydrogen 3.055 N/A SER 189.A OG GLN 267.A OE1 no hydrogen 3.300 N/A SER 189.A OG GLU 270.A O no hydrogen 2.937 N/A TYR 190.A OH TYR 41.A OH no hydrogen 2.622 N/A TYR 190.A OH GLU 45.A OE2 no hydrogen 2.507 N/A PHE 191.A N TYR 225.A O no hydrogen 3.014 N/A LYS 192.A N GLU 266.A O no hydrogen 2.836 N/A LEU 193.A N ASP 223.A O no hydrogen 2.783 N/A LYS 194.A NZ ASP 222.A OD2 no hydrogen 3.246 N/A PHE 197.A N ASP 195.A OD1 no hydrogen 2.833 N/A GLU 198.A N ASP 412.A OD2 no hydrogen 2.621 N/A GLY 199.A N ASP 412.A OD1 no hydrogen 2.781 N/A LYS 202.A N GLY 199.A O no hydrogen 3.211 N/A GLY 203.A N ASP 195.A OD2 no hydrogen 2.635 N/A THR 204.A N LEU 201.A O no hydrogen 3.060 N/A THR 204.A OG1 SER 74.A OG no hydrogen 2.997 N/A THR 204.A OG1 THR 76.A OG1 no hydrogen 2.922 N/A THR 205.A N SER 74.A O no hydrogen 3.453 N/A THR 205.A OG1 SER 46.A OG no hydrogen 2.858 N/A THR 205.A OG1 GLN 103.A OE1 no hydrogen 3.108 N/A TYR 206.A N MET 217.A O no hydrogen 3.091 N/A SER 207.A N THR 76.A O no hydrogen 2.952 N/A ILE 208.A N VAL 215.A O no hydrogen 2.899 N/A THR 209.A N LEU 78.A O no hydrogen 3.087 N/A THR 209.A OG1 GLU 364.A OE2 no hydrogen 2.813 N/A PHE 210.A N GLY 213.A O no hydrogen 2.889 N/A GLY 213.A N PHE 210.A O no hydrogen 3.273 N/A TRP 214.A N VAL 230.A O no hydrogen 3.074 N/A TRP 214.A NE1 TYR 357.A OH no hydrogen 2.854 N/A VAL 215.A N ILE 208.A O no hydrogen 2.631 N/A TRP 216.A N GLY 228.A O no hydrogen 2.799 N/A TRP 216.A NE1 SER 226.A OG no hydrogen 2.818 N/A MET 217.A N TYR 206.A O no hydrogen 2.946 N/A ILE 218.A N SER 226.A O no hydrogen 2.793 N/A ILE 220.A N LEU 224.A O no hydrogen 2.889 N/A LYS 221.A N LEU 224.A O no hydrogen 3.304 N/A TYR 225.A N PHE 191.A O no hydrogen 3.021 N/A SER 226.A N ILE 218.A O no hydrogen 2.733 N/A SER 226.A OG GLU 45.A OE1 no hydrogen 2.797 N/A VAL 227.A N SER 189.A O no hydrogen 2.891 N/A GLY 228.A N TRP 216.A O no hydrogen 2.960 N/A LEU 229.A N VAL 187.A O no hydrogen 2.722 N/A VAL 230.A N TRP 214.A O no hydrogen 2.776 N/A VAL 231.A N PHE 185.A O no hydrogen 2.966 N/A ARG 233.A NH1 ASP 232.A OD2 no hydrogen 3.234 N/A ARG 233.A NH1 GLU 368.A OE1 no hydrogen 3.164 N/A SER 234.A N ASP 232.A OD2 no hydrogen 3.043 N/A SER 234.A OG ASP 232.A OD2 no hydrogen 2.977 N/A SER 234.A OG GLU 368.A OE2 no hydrogen 3.325 N/A LYS 235.A N ASP 232.A O no hydrogen 3.026 N/A LYS 235.A NZ ASP 212.A OD1 no hydrogen 3.500 N/A SER 236.A N ARG 233.A O no hydrogen 2.932 N/A SER 236.A OG ARG 233.A O no hydrogen 2.604 N/A VAL 239.A N LYS 235.A O no hydrogen 3.206 N/A ARG 240.A N SER 236.A O no hydrogen 2.877 N/A GLU 241.A N ALA 237.A O no hydrogen 2.849 N/A GLN 242.A N GLU 238.A O no hydrogen 2.646 N/A GLY 243.A N VAL 239.A O no hydrogen 2.865 N/A PHE 247.A N GLY 243.A O no hydrogen 3.069 N/A TYR 248.A N ALA 244.A O no hydrogen 2.817 N/A TYR 248.A OH VAL 227.A O no hydrogen 2.899 N/A SER 249.A N ASP 245.A O no hydrogen 3.236 N/A SER 249.A OG ASP 245.A O no hydrogen 3.254 N/A SER 250.A N ALA 246.A O no hydrogen 3.136 N/A SER 250.A OG ALA 246.A O no hydrogen 2.907 N/A THR 251.A N PHE 247.A O no hydrogen 3.004 N/A THR 251.A OG1 PHE 247.A O no hydrogen 2.622 N/A LEU 252.A N TYR 248.A O no hydrogen 2.837 N/A ALA 253.A N SER 249.A O no hydrogen 3.075 N/A LYS 254.A N THR 251.A O no hydrogen 2.825 N/A LYS 254.A NZ GLU 211.A OE1 no hydrogen 3.369 N/A CYS 255.A N LEU 252.A O no hydrogen 3.171 N/A MET 259.A N CYS 255.A O no hydrogen 2.981 N/A ASP 260.A N ALA 256.A O no hydrogen 2.669 N/A ILE 261.A N LYS 257.A O no hydrogen 3.001 N/A LEU 262.A N ALA 258.A O no hydrogen 2.941 N/A GLY 263.A N MET 259.A O no hydrogen 2.838 N/A VAL 268.A N TYR 190.A O no hydrogen 2.808 N/A GLU 270.A N ASP 269.A OD1 no hydrogen 2.722 N/A ARG 272.A N TRP 188.A O no hydrogen 2.990 N/A ARG 272.A NH1 ASP 269.A OD2 no hydrogen 2.917 N/A VAL 274.A N ALA 186.A O no hydrogen 2.930 N/A GLN 275.A NE2 SER 236.A OG no hydrogen 2.872 N/A ASP 276.A N ASN 184.A O no hydrogen 2.757 N/A TRP 277.A NE1 GLN 275.A OE1 no hydrogen 2.994 N/A SER 278.A N TYR 182.A O no hydrogen 3.004 N/A TYR 279.A N PHE 298.A O no hydrogen 3.451 N/A TYR 279.A OH SER 165.A OG no hydrogen 2.860 N/A TYR 279.A OH ASP 294.A O no hydrogen 2.716 N/A ASP 280.A N GLN 177.A O no hydrogen 3.082 N/A THR 281.A OG1 ALA 296.A O no hydrogen 2.683 N/A GLU 282.A N VAL 175.A O no hydrogen 2.860 N/A PHE 284.A N ASN 339.A OD1 no hydrogen 2.848 N/A SER 285.A OG HIS 335.A ND1 no hydrogen 2.755 N/A ALA 286.A N PHE 289.A O no hydrogen 3.200 N/A ARG 288.A NE PRO 138.A O no hydrogen 2.907 N/A ARG 288.A NH1 ASP 157.A O no hydrogen 3.081 N/A PHE 289.A N ALA 286.A O no hydrogen 2.995 N/A PHE 290.A N VAL 159.A O no hydrogen 3.126 N/A LEU 291.A N PHE 284.A O no hydrogen 2.936 N/A CYS 292.A N ASP 161.A O no hydrogen 2.974 N/A CYS 292.A SG SER 313.A O no hydrogen 3.790 N/A CYS 292.A SG TYR 338.A OH no hydrogen 3.504 N/A GLY 293.A N SER 313.A OG no hydrogen 3.032 N/A ALA 296.A N GLY 293.A O no hydrogen 2.789 N/A CYS 297.A N GLY 293.A O no hydrogen 3.206 N/A PHE 298.A N TYR 279.A O no hydrogen 2.989 N/A LEU 302.A N ASP 300.A OD1 no hydrogen 2.967 N/A PHE 303.A N TYR 349.A OH no hydrogen 3.086 N/A SER 304.A N PRO 301.A O no hydrogen 2.944 N/A GLN 305.A NE2 PHE 546.A O no hydrogen 2.908 N/A LEU 309.A N GLN 305.A O no hydrogen 2.846 N/A ALA 310.A N GLY 306.A O no hydrogen 2.967 N/A SER 311.A N VAL 307.A O no hydrogen 2.926 N/A SER 311.A OG VAL 307.A O no hydrogen 2.960 N/A GLN 312.A N HIS 308.A O no hydrogen 2.852 N/A SER 313.A N LEU 309.A O no hydrogen 2.999 N/A SER 313.A OG LEU 309.A O no hydrogen 2.966 N/A SER 313.A OG ALA 310.A O no hydrogen 3.396 N/A SER 313.A OG TYR 342.A OH no hydrogen 3.276 N/A ALA 314.A N ALA 310.A O no hydrogen 3.045 N/A VAL 315.A N SER 311.A O no hydrogen 2.974 N/A SER 316.A N GLN 312.A O no hydrogen 2.971 N/A SER 316.A OG GLN 312.A O no hydrogen 3.041 N/A ALA 317.A N SER 313.A O no hydrogen 2.749 N/A ALA 318.A N ALA 314.A O no hydrogen 3.009 N/A ALA 319.A N VAL 315.A O no hydrogen 3.056 N/A ALA 320.A N SER 316.A O no hydrogen 2.855 N/A ILE 321.A N ALA 317.A O no hydrogen 2.889 N/A ASP 322.A N ALA 318.A O no hydrogen 2.976 N/A ARG 323.A N ALA 319.A O no hydrogen 2.943 N/A ARG 323.A NE GLU 330.A OE1 no hydrogen 2.782 N/A ARG 323.A NH1 LEU 462.A O no hydrogen 3.327 N/A ARG 323.A NH2 GLU 330.A OE1 no hydrogen 3.245 N/A ARG 323.A NH2 GLU 330.A OE2 no hydrogen 2.879 N/A ILE 324.A N ALA 320.A O no hydrogen 3.026 N/A THR 325.A N ILE 321.A O no hydrogen 2.967 N/A THR 325.A OG1 SER 5.A OG no hydrogen 2.688 N/A THR 325.A OG1 ILE 321.A O no hydrogen 2.716 N/A ARG 326.A N ASP 322.A O no hydrogen 3.203 N/A ARG 326.A NE ASP 322.A OD1 no hydrogen 3.273 N/A ARG 326.A NE ASP 322.A OD2 no hydrogen 3.025 N/A ARG 326.A NH2 ASP 322.A OD2 no hydrogen 2.929 N/A HIS 327.A N ARG 323.A O no hydrogen 2.895 N/A GLU 330.A N HIS 327.A O no hydrogen 3.039 N/A LYS 331.A N GLY 328.A O no hydrogen 3.456 N/A LYS 331.A NZ ASP 287.A OD1 no hydrogen 3.041 N/A VAL 334.A N GLU 330.A O no hydrogen 2.882 N/A HIS 335.A N LYS 331.A O no hydrogen 3.098 N/A HIS 335.A ND1 SER 285.A OG no hydrogen 2.755 N/A HIS 335.A NE2 ASP 287.A O no hydrogen 2.918 N/A ALA 336.A N ASP 332.A O no hydrogen 2.881 N/A TRP 337.A N ALA 333.A O no hydrogen 2.925 N/A TYR 338.A N VAL 334.A O no hydrogen 2.963 N/A TYR 338.A OH LEU 291.A O no hydrogen 2.541 N/A ASN 339.A N HIS 335.A O no hydrogen 2.891 N/A ASN 339.A ND2 SER 285.A O no hydrogen 2.997 N/A ASN 339.A ND2 HIS 335.A O no hydrogen 2.682 N/A ARG 340.A N ALA 336.A O no hydrogen 3.031 N/A ARG 340.A NH2 ASP 475.A OD2 no hydrogen 2.710 N/A THR 341.A N TRP 337.A O no hydrogen 3.031 N/A THR 341.A OG1 TRP 337.A O no hydrogen 3.187 N/A TYR 342.A N TYR 338.A O no hydrogen 3.142 N/A TYR 342.A OH SER 313.A OG no hydrogen 3.276 N/A ARG 343.A N ASN 339.A O no hydrogen 2.958 N/A ARG 343.A NH2 GLU 282.A O no hydrogen 3.562 N/A GLU 344.A N ARG 340.A O no hydrogen 2.921 N/A ALA 345.A N THR 341.A O no hydrogen 3.190 N/A TYR 346.A N TYR 342.A O no hydrogen 3.041 N/A GLU 347.A N ARG 343.A O no hydrogen 2.876 N/A GLN 348.A N GLU 344.A O no hydrogen 3.183 N/A TYR 349.A N ALA 345.A O no hydrogen 3.096 N/A TYR 349.A OH ASP 300.A O no hydrogen 2.550 N/A HIS 350.A N TYR 346.A O no hydrogen 3.059 N/A HIS 350.A NE2 ASP 179.A OD1 no hydrogen 2.873 N/A GLN 351.A N GLU 347.A O no hydrogen 3.014 N/A PHE 352.A N GLN 348.A O no hydrogen 3.198 N/A LEU 353.A N TYR 349.A O no hydrogen 2.881 N/A ALA 354.A N HIS 350.A O no hydrogen 3.067 N/A SER 355.A N GLN 351.A O no hydrogen 3.439 N/A PHE 356.A N PHE 352.A O no hydrogen 3.189 N/A TYR 357.A N LEU 353.A O no hydrogen 2.917 N/A TYR 357.A OH ASP 300.A OD1 no hydrogen 3.397 N/A TYR 357.A OH ASP 300.A OD2 no hydrogen 2.403 N/A THR 358.A N ALA 354.A O no hydrogen 2.976 N/A THR 358.A OG1 ALA 354.A O no hydrogen 2.737 N/A PHE 359.A N SER 355.A O no hydrogen 3.031 N/A ALA 360.A N PHE 356.A O no hydrogen 3.222 N/A SER 361.A N TYR 357.A O no hydrogen 3.009 N/A SER 361.A N THR 358.A O no hydrogen 3.163 N/A SER 361.A OG THR 358.A O no hydrogen 2.557 N/A THR 363.A N ALA 360.A O no hydrogen 3.138 N/A GLU 364.A N ALA 360.A O no hydrogen 2.935 N/A SER 367.A OG GLU 211.A O no hydrogen 2.788 N/A TRP 370.A NE1 PHE 210.A O no hydrogen 3.101 N/A ARG 371.A N SER 367.A O no hydrogen 3.018 N/A ARG 371.A NH2 ASP 366.A O no hydrogen 2.842 N/A ARG 371.A NH2 ASP 366.A OD1 no hydrogen 2.936 N/A LYS 372.A N GLU 368.A O no hydrogen 2.951 N/A ARG 373.A N TRP 370.A O no hydrogen 3.196 N/A ARG 373.A NE ASN 184.A OD1 no hydrogen 2.992 N/A ARG 373.A NH1 ASP 232.A OD1 no hydrogen 2.976 N/A ARG 373.A NH1 PHE 369.A O no hydrogen 2.891 N/A ARG 373.A NH2 ASN 184.A OD1 no hydrogen 2.828 N/A ARG 373.A NH2 ASP 232.A OD1 no hydrogen 3.006 N/A ARG 374.A N TRP 370.A O no hydrogen 2.885 N/A ARG 374.A NH1 ASP 366.A OD1 no hydrogen 2.854 N/A ARG 374.A NH2 ASP 366.A OD1 no hydrogen 2.935 N/A ILE 375.A N THR 358.A OG1 no hydrogen 2.839 N/A ASP 381.A N SER 378.A OG no hydrogen 2.954 N/A ARG 382.A N SER 378.A O no hydrogen 3.083 N/A ARG 382.A NH1 SER 361.A OG no hydrogen 3.215 N/A ARG 382.A NH2 SER 361.A OG no hydrogen 3.216 N/A LEU 383.A N ASP 379.A O no hydrogen 3.014 N/A THR 384.A N ASP 380.A O no hydrogen 2.997 N/A THR 384.A OG1 ASP 380.A O no hydrogen 2.848 N/A ARG 385.A N ASP 381.A O no hydrogen 2.832 N/A ARG 385.A NE GLU 377.A OE1 no hydrogen 2.857 N/A ARG 385.A NH2 GLU 377.A OE1 no hydrogen 3.439 N/A ARG 385.A NH2 GLU 377.A OE2 no hydrogen 2.747 N/A LYS 386.A N ARG 382.A O no hydrogen 3.254 N/A TRP 388.A N ARG 385.A O no hydrogen 2.774 N/A SER 391.A N TRP 388.A O no hydrogen 3.317 N/A SER 391.A OG TRP 388.A O no hydrogen 3.127 N/A SER 397.A N ARG 393.A O no hydrogen 3.253 N/A THR 398.A N ASP 394.A O no hydrogen 2.841 N/A THR 398.A OG1 ASP 394.A O no hydrogen 2.731 N/A MET 399.A N ARG 395.A O no hydrogen 3.368 N/A ILE 400.A N ALA 396.A O no hydrogen 3.095 N/A ALA 401.A N SER 397.A O no hydrogen 3.143 N/A ILE 402.A N THR 398.A O no hydrogen 2.957 N/A GLY 403.A N MET 399.A O no hydrogen 2.934 N/A ARG 404.A N ALA 401.A O no hydrogen 3.221 N/A HIS 405.A N PRO 85.A O no hydrogen 2.956 N/A HIS 405.A NE2 THR 87.A OG1 no hydrogen 2.789 N/A GLN 406.A N GLU 418.A OE1 no hydrogen 2.848 N/A ARG 407.A NH1 GLU 418.A OE1 no hydrogen 3.038 N/A ARG 407.A NH1 GLU 418.A OE2 no hydrogen 3.407 N/A ARG 407.A NH2 GLU 418.A OE2 no hydrogen 3.116 N/A ASP 413.A N SER 411.A OG no hydrogen 2.697 N/A PHE 414.A N SER 411.A O no hydrogen 3.074 N/A SER 415.A N GLU 418.A OE2 no hydrogen 3.093 N/A GLU 416.A N ASP 200.A OD2 no hydrogen 2.554 N/A GLU 418.A N SER 415.A O no hydrogen 3.055 N/A LEU 419.A N GLU 416.A O no hydrogen 3.020 N/A ASN 420.A N ALA 417.A O no hydrogen 2.968 N/A ARG 423.A N LEU 419.A O no hydrogen 3.155 N/A VAL 424.A N ASN 420.A O no hydrogen 2.974 N/A ARG 425.A N PRO 421.A O no hydrogen 2.816 N/A TRP 426.A N ALA 422.A O no hydrogen 2.989 N/A ILE 427.A N ARG 423.A O no hydrogen 3.024 N/A SER 428.A N VAL 424.A O no hydrogen 2.746 N/A SER 428.A OG VAL 424.A O no hydrogen 3.221 N/A ASP 429.A N ARG 425.A O no hydrogen 2.940 N/A LEU 430.A N TRP 426.A O no hydrogen 2.874 N/A THR 431.A N ILE 427.A O no hydrogen 2.764 N/A THR 431.A OG1 ILE 427.A O no hydrogen 3.124 N/A LYS 432.A N SER 428.A O no hydrogen 2.894 N/A ARG 433.A N ASP 429.A O no hydrogen 2.952 N/A ARG 433.A N LEU 430.A O no hydrogen 3.144 N/A ARG 433.A NE ASP 429.A OD1 no hydrogen 2.952 N/A LEU 434.A N LEU 430.A O no hydrogen 3.043 N/A ASN 435.A N THR 431.A O no hydrogen 3.128 N/A SER 436.A N LYS 432.A O no hydrogen 3.265 N/A SER 436.A N ARG 433.A O no hydrogen 3.050 N/A SER 436.A OG ARG 433.A O no hydrogen 2.680 N/A ILE 437.A N LEU 434.A O no hydrogen 3.097 N/A THR 438.A N TYR 531.A O no hydrogen 3.065 N/A ARG 439.A N TYR 531.A O no hydrogen 3.341 N/A ARG 439.A NE GLU 496.A OE1 no hydrogen 2.903 N/A ARG 439.A NH1 GLU 496.A OE1 no hydrogen 2.781 N/A PHE 440.A N PHE 497.A O no hydrogen 2.930 N/A LYS 441.A N THR 529.A O no hydrogen 2.968 N/A LYS 441.A NZ TYR 531.A OH no hydrogen 3.458 N/A TRP 442.A NE1 LYS 446.A O no hydrogen 2.725 N/A THR 443.A N LEU 527.A O no hydrogen 3.200 N/A THR 443.A OG1 GLY 526.A O no hydrogen 2.627 N/A THR 443.A OG1 LEU 527.A O no hydrogen 3.563 N/A ALA 447.A N GLN 490.A OE1 no hydrogen 2.971 N/A VAL 448.A N ALA 469.A O no hydrogen 2.788 N/A LYS 450.A N VAL 467.A O no hydrogen 2.853 N/A LYS 450.A NZ GLY 473.A O no hydrogen 2.899 N/A LYS 450.A NZ ASP 475.A OD1 no hydrogen 3.049 N/A HIS 452.A N ARG 465.A O no hydrogen 2.737 N/A TYR 453.A OH GLU 330.A OE1 no hydrogen 2.687 N/A ARG 454.A N GLU 463.A O no hydrogen 2.914 N/A GLU 456.A N ARG 461.A O no hydrogen 2.882 N/A ILE 458.A N GLU 456.A OE2 no hydrogen 2.927 N/A GLY 459.A N GLU 456.A OE1 no hydrogen 2.523 N/A PHE 460.A N GLU 456.A O no hydrogen 2.854 N/A ARG 461.A NH1 LEU 26.A O no hydrogen 3.155 N/A ARG 461.A NH1 ASP 322.A OD2 no hydrogen 3.024 N/A GLU 463.A N ARG 454.A O no hydrogen 2.880 N/A ARG 465.A N HIS 452.A O no hydrogen 2.768 N/A VAL 467.A N LYS 450.A O no hydrogen 2.745 N/A ALA 469.A N VAL 448.A O no hydrogen 2.757 N/A ASN 470.A N LEU 474.A O no hydrogen 2.989 N/A GLY 473.A N ASN 470.A O no hydrogen 3.184 N/A LEU 474.A N GLU 472.A O no hydrogen 2.787 N/A MET 476.A N LEU 468.A O no hydrogen 3.104 N/A GLN 478.A N GLN 478.A OE1 no hydrogen 2.566 N/A MET 481.A N GLU 466.A O no hydrogen 2.931 N/A GLU 484.A N ASP 482.A OD1 no hydrogen 3.199 N/A ALA 485.A N ASP 482.A O no hydrogen 3.023 N/A ALA 485.A N ASP 482.A OD1 no hydrogen 3.134 N/A ARG 486.A N ASP 482.A O no hydrogen 2.946 N/A ARG 486.A NH2 ALA 447.A O no hydrogen 2.927 N/A GLN 487.A N ASP 483.A O no hydrogen 3.303 N/A PHE 489.A N ARG 486.A O no hydrogen 2.922 N/A GLN 490.A N ARG 486.A O no hydrogen 3.086 N/A GLN 490.A NE2 GLY 445.A O no hydrogen 3.217 N/A GLN 490.A NE2 GLU 494.A OE2 no hydrogen 3.078 N/A ASP 491.A N GLN 487.A O no hydrogen 2.977 N/A LEU 492.A N ILE 488.A O no hydrogen 2.946 N/A ALA 493.A N PHE 489.A O no hydrogen 2.884 N/A GLU 494.A N GLN 490.A O no hydrogen 3.134 N/A GLU 495.A N ASP 491.A O no hydrogen 2.817 N/A GLU 496.A N LEU 492.A O no hydrogen 2.749 N/A TYR 499.A N ILE 437.A O no hydrogen 2.973 N/A LEU 502.A N GLY 498.A O no hydrogen 3.109 N/A VAL 503.A N TYR 499.A O no hydrogen 2.889 N/A LYS 504.A N LYS 500.A O no hydrogen 3.205 N/A ARG 505.A N THR 501.A O no hydrogen 2.943 N/A ARG 505.A NH1 ASP 491.A OD2 no hydrogen 3.175 N/A ARG 505.A NH2 ASP 491.A OD2 no hydrogen 2.879 N/A LEU 506.A N LEU 502.A O no hydrogen 2.919 N/A GLY 507.A N VAL 503.A O no hydrogen 2.887 N/A ALA 508.A N LYS 504.A O no hydrogen 2.920 N/A VAL 509.A N LEU 506.A O no hydrogen 2.827 N/A GLY 510.A N GLY 507.A O no hydrogen 3.092 N/A ARG 511.A N LEU 506.A O no hydrogen 3.174 N/A ARG 511.A NH1 PRO 480.A O no hydrogen 2.747 N/A GLN 512.A NE2 GLU 513.A OE2 no hydrogen 3.418 N/A LEU 514.A N ARG 511.A O no hydrogen 3.258 N/A LEU 514.A N GLU 513.A OE1 no hydrogen 2.796 N/A SER 515.A N ARG 511.A O no hydrogen 2.989 N/A SER 515.A OG GLN 512.A O no hydrogen 3.077 N/A GLN 517.A N LEU 514.A O no hydrogen 2.568 N/A GLN 517.A N GLN 517.A OE1 no hydrogen 2.518 N/A ILE 518.A N LEU 514.A O no hydrogen 2.975 N/A VAL 519.A N SER 515.A O no hydrogen 3.029 N/A VAL 520.A N THR 516.A O no hydrogen 3.083 N/A ARG 521.A N GLN 517.A O no hydrogen 2.865 N/A LEU 522.A N ILE 518.A O no hydrogen 3.028 N/A MET 523.A N VAL 519.A O no hydrogen 2.936 N/A GLU 524.A N VAL 520.A O no hydrogen 2.892 N/A ALA 525.A N ARG 521.A O no hydrogen 2.809 N/A GLY 526.A N MET 523.A O no hydrogen 2.887 N/A LEU 528.A N LEU 522.A O no hydrogen 3.041 N/A THR 529.A N LYS 441.A O no hydrogen 3.079 N/A TYR 531.A N ARG 439.A O no hydrogen 2.905 N/A ASP 532.A N GLU 536.A O no hydrogen 2.799 N/A GLY 535.A N ASP 532.A O no hydrogen 2.860 N/A GLU 536.A N ASP 532.A OD1 no hydrogen 2.847 N/A VAL 538.A N GLY 530.A O no hydrogen 2.705 N/A GLY 542.A N GLU 524.A OE2 no hydrogen 2.710 N/A