Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 45.A OD1 no hydrogen 3.046 N/A SER 3.A N PHE 44.A O no hydrogen 2.895 N/A SER 3.A OG VAL 42.A O no hydrogen 2.601 N/A SER 3.A OG PHE 44.A O no hydrogen 3.238 N/A THR 5.A N TYR 262.A O no hydrogen 2.924 N/A TRP 6.A NE1 THR 43.A OG1 no hydrogen 2.857 N/A THR 7.A N CYS 260.A O no hydrogen 2.941 N/A THR 7.A OG1 ASN 259.A O no hydrogen 2.528 N/A ALA 9.A N THR 7.A OG1 no hydrogen 3.256 N/A THR 12.A OG1 SER 255.A OG no hydrogen 2.716 N/A VAL 27.A N HIS 24.A O no hydrogen 3.230 N/A TYR 28.A N PHE 135.A O no hydrogen 3.039 N/A ALA 29.A N SER 19.A O no hydrogen 2.795 N/A THR 30.A N GLU 133.A O no hydrogen 2.923 N/A THR 30.A OG1 LYS 131.A O no hydrogen 2.852 N/A THR 30.A OG1 GLU 133.A O no hydrogen 3.422 N/A SER 32.A N GLU 17.A OE1 no hydrogen 2.992 N/A SER 32.A OG GLU 17.A OE2 no hydrogen 2.754 N/A ARG 33.A N THR 31.A OG1 no hydrogen 3.117 N/A SER 34.A N THR 31.A O no hydrogen 3.189 N/A SER 34.A OG THR 31.A O no hydrogen 3.164 N/A ALA 35.A N SER 32.A O no hydrogen 3.037 N/A GLN 39.A N ALA 35.A O no hydrogen 2.912 N/A LYS 40.A N SER 36.A O no hydrogen 3.094 N/A LYS 41.A N LEU 37.A O no hydrogen 3.349 N/A VAL 42.A N ARG 38.A O no hydrogen 2.954 N/A THR 43.A OG1 GLN 39.A O no hydrogen 2.529 N/A PHE 44.A N SER 3.A OG no hydrogen 2.923 N/A ARG 46.A N SER 1.A O no hydrogen 3.181 N/A ARG 46.A NE SER 1.A O no hydrogen 2.885 N/A ARG 46.A NH1 SER 212.A O no hydrogen 2.925 N/A ARG 46.A NH1 VAL 214.A O no hydrogen 2.871 N/A ARG 46.A NH1 ARG 264.A O no hydrogen 3.485 N/A ARG 46.A NH2 SER 1.A OG no hydrogen 3.028 N/A ARG 46.A NH2 ARG 264.A O no hydrogen 2.783 N/A GLN 48.A NE2 ASP 218.A OD1 no hydrogen 2.852 N/A GLN 48.A NE2 TYR 332.A O no hydrogen 2.754 N/A VAL 49.A N ARG 331.A O no hydrogen 3.002 N/A TYR 54.A N ASP 51.A OD1 no hydrogen 3.134 N/A ARG 55.A N ASP 51.A O no hydrogen 3.275 N/A ARG 55.A NH2 ASP 52.A OD1 no hydrogen 2.831 N/A ASP 56.A N ASP 52.A O no hydrogen 2.850 N/A VAL 57.A N HIS 53.A O no hydrogen 3.067 N/A LEU 58.A N TYR 54.A O no hydrogen 3.020 N/A LYS 59.A N ARG 55.A O no hydrogen 3.103 N/A GLU 60.A N ASP 56.A O no hydrogen 3.043 N/A MET 61.A N VAL 57.A O no hydrogen 2.846 N/A LYS 62.A N LEU 58.A O no hydrogen 2.831 N/A ALA 63.A N LYS 59.A O no hydrogen 2.915 N/A LYS 64.A N GLU 60.A O no hydrogen 3.364 N/A ALA 65.A N MET 61.A O no hydrogen 2.967 N/A SER 66.A N LYS 62.A O no hydrogen 2.947 N/A SER 66.A OG ALA 63.A O no hydrogen 2.651 N/A THR 67.A N LYS 64.A O no hydrogen 3.155 N/A THR 67.A OG1 LYS 64.A O no hydrogen 2.663 N/A VAL 68.A N ALA 65.A O no hydrogen 2.977 N/A ALA 70.A N ASP 230.A O no hydrogen 2.950 N/A LYS 71.A N ASP 163.A OD2 no hydrogen 2.871 N/A LYS 71.A NZ LYS 69.A O no hydrogen 2.733 N/A LEU 73.A N MET 159.A O no hydrogen 2.970 N/A SER 74.A N GLU 77.A OE1 no hydrogen 2.897 N/A SER 74.A OG GLU 77.A OE1 no hydrogen 3.275 N/A GLU 77.A N SER 74.A OG no hydrogen 2.997 N/A ALA 78.A N SER 74.A O no hydrogen 2.970 N/A CYS 79.A N ILE 75.A O no hydrogen 2.816 N/A CYS 79.A SG ILE 75.A O no hydrogen 3.246 N/A LYS 80.A N GLU 76.A O no hydrogen 2.999 N/A LEU 81.A N GLU 77.A O no hydrogen 3.223 N/A LEU 81.A N ALA 78.A O no hydrogen 3.299 N/A THR 82.A N CYS 79.A O no hydrogen 2.979 N/A THR 82.A OG1 ALA 78.A O no hydrogen 3.358 N/A THR 82.A OG1 CYS 79.A O no hydrogen 3.109 N/A SER 86.A N PRO 83.A O no hydrogen 3.112 N/A SER 86.A OG ASP 545.A OD1 no hydrogen 2.492 N/A SER 86.A OG ASP 545.A OD2 no hydrogen 2.987 N/A SER 89.A N TYR 93.A O no hydrogen 2.791 N/A SER 89.A OG ASP 150.A OD1 no hydrogen 3.199 N/A SER 89.A OG ASP 150.A OD2 no hydrogen 2.549 N/A LYS 90.A N ASP 150.A OD1 no hydrogen 2.839 N/A PHE 91.A N SER 89.A OG no hydrogen 2.951 N/A GLY 94.A N ASP 97.A OD2 no hydrogen 2.833 N/A VAL 98.A N GLY 94.A O no hydrogen 3.085 N/A ARG 99.A N ALA 95.A O no hydrogen 2.909 N/A ARG 99.A NH1 LYS 80.A O no hydrogen 2.808 N/A ARG 99.A NH1 THR 82.A O no hydrogen 2.682 N/A ASN 100.A N LYS 96.A O no hydrogen 2.869 N/A LEU 101.A N VAL 98.A O no hydrogen 2.892 N/A SER 102.A N ASP 97.A O no hydrogen 2.828 N/A ARG 104.A NE PHE 91.A O no hydrogen 2.869 N/A ARG 104.A NH2 PHE 91.A O no hydrogen 3.026 N/A ALA 105.A N SER 102.A OG no hydrogen 3.129 N/A VAL 106.A N SER 102.A O no hydrogen 3.007 N/A ASN 107.A N SER 103.A O no hydrogen 2.872 N/A HIS 108.A N ARG 104.A O no hydrogen 3.033 N/A ILE 109.A N ALA 105.A O no hydrogen 2.781 N/A ARG 110.A N VAL 106.A O no hydrogen 2.799 N/A SER 111.A N ASN 107.A O no hydrogen 3.034 N/A SER 111.A OG HIS 108.A O no hydrogen 2.896 N/A VAL 112.A N HIS 108.A O no hydrogen 2.939 N/A TRP 113.A N ILE 109.A O no hydrogen 3.080 N/A TRP 113.A NE1 GLU 234.A OE1 no hydrogen 2.976 N/A GLU 114.A N ARG 110.A O no hydrogen 3.023 N/A ASP 115.A N SER 111.A O no hydrogen 3.017 N/A LEU 116.A N VAL 112.A O no hydrogen 3.025 N/A LEU 117.A N TRP 113.A O no hydrogen 3.311 N/A GLU 118.A N GLU 114.A O no hydrogen 2.895 N/A ASP 119.A N ASP 115.A O no hydrogen 2.846 N/A GLU 121.A N ASP 119.A OD1 no hydrogen 2.931 N/A THR 122.A N ASP 119.A OD1 no hydrogen 3.002 N/A THR 122.A OG1 ASP 119.A OD1 no hydrogen 3.156 N/A THR 122.A OG1 ASP 119.A OD2 no hydrogen 2.551 N/A ILE 124.A N ARG 245.A O no hydrogen 2.844 N/A THR 126.A N PRO 251.A O no hydrogen 3.298 N/A THR 126.A OG1 PRO 251.A O no hydrogen 2.718 N/A THR 127.A N PHE 148.A O no hydrogen 2.831 N/A ILE 128.A N THR 253.A O no hydrogen 3.079 N/A MET 129.A N ILE 146.A O no hydrogen 2.865 N/A LYS 131.A N ARG 144.A O no hydrogen 2.761 N/A SER 132.A OG THR 30.A O no hydrogen 3.365 N/A GLU 133.A N THR 30.A OG1 no hydrogen 3.000 N/A PHE 135.A N TYR 28.A O no hydrogen 2.916 N/A CYS 136.A SG MET 26.A O no hydrogen 3.902 N/A CYS 136.A SG VAL 137.A O no hydrogen 3.701 N/A VAL 137.A N MET 26.A O no hydrogen 2.810 N/A GLN 138.A N GLY 139.A O no hydrogen 3.515 N/A LYS 141.A N TYR 28.A OH no hydrogen 3.012 N/A ALA 143.A N SER 34.A OG no hydrogen 2.878 N/A ILE 146.A N MET 129.A O no hydrogen 2.770 N/A VAL 147.A N SER 268.A OG no hydrogen 3.006 N/A PHE 148.A N THR 127.A O no hydrogen 2.954 N/A GLY 152.A N ASP 150.A OD2 no hydrogen 3.208 N/A ARG 154.A N ASP 150.A O no hydrogen 3.050 N/A ARG 154.A NE ASP 545.A OD2 no hydrogen 2.943 N/A ARG 154.A NH1 PRO 149.A O no hydrogen 2.831 N/A ARG 154.A NH2 SER 86.A OG no hydrogen 2.852 N/A ARG 154.A NH2 ALA 87.A O no hydrogen 2.933 N/A VAL 155.A N LEU 151.A O no hydrogen 3.036 N/A CYS 156.A N GLY 152.A O no hydrogen 3.216 N/A CYS 156.A SG ILE 109.A O no hydrogen 3.515 N/A CYS 156.A SG GLY 152.A O no hydrogen 3.332 N/A GLU 157.A N VAL 153.A O no hydrogen 2.846 N/A LYS 158.A N ARG 154.A O no hydrogen 3.226 N/A LYS 158.A NZ ASP 545.A O no hydrogen 2.918 N/A LYS 158.A NZ ASP 545.A OD2 no hydrogen 3.453 N/A MET 159.A N VAL 155.A O no hydrogen 3.225 N/A ALA 160.A N CYS 156.A O no hydrogen 3.150 N/A LEU 161.A N GLU 157.A O no hydrogen 2.735 N/A TYR 162.A N LYS 158.A O no hydrogen 2.832 N/A VAL 165.A N LEU 161.A O no hydrogen 2.881 N/A SER 166.A N TYR 162.A O no hydrogen 3.058 N/A SER 166.A OG TYR 162.A O no hydrogen 2.516 N/A SER 166.A OG TYR 541.A OH no hydrogen 2.790 N/A THR 167.A N VAL 164.A O no hydrogen 3.198 N/A THR 167.A OG1 ASP 163.A O no hydrogen 2.974 N/A THR 167.A OG1 ASP 163.A OD1 no hydrogen 3.140 N/A LEU 168.A N VAL 164.A O no hydrogen 2.777 N/A ALA 171.A N THR 167.A O no hydrogen 3.329 N/A VAL 172.A N LEU 168.A O no hydrogen 2.889 N/A MET 173.A N PRO 169.A O no hydrogen 2.755 N/A GLY 174.A N GLN 170.A O no hydrogen 2.908 N/A SER 176.A N MET 173.A O no hydrogen 3.158 N/A SER 176.A OG MET 299.A O no hydrogen 2.750 N/A TYR 177.A N GLY 174.A O no hydrogen 2.989 N/A GLY 178.A N VAL 301.A O no hydrogen 2.782 N/A TYR 181.A N GLY 178.A O no hydrogen 3.292 N/A TYR 181.A OH SER 175.A O no hydrogen 2.491 N/A SER 182.A N GLN 185.A OE1 no hydrogen 2.866 N/A GLN 185.A N SER 182.A OG no hydrogen 3.327 N/A ARG 186.A N SER 182.A O no hydrogen 2.726 N/A ARG 186.A NH2 SER 351.A OG no hydrogen 3.249 N/A VAL 187.A N PRO 183.A O no hydrogen 2.856 N/A GLU 188.A N LYS 184.A O no hydrogen 2.863 N/A PHE 189.A N GLN 185.A O no hydrogen 2.985 N/A LEU 190.A N ARG 186.A O no hydrogen 2.941 N/A VAL 191.A N VAL 187.A O no hydrogen 2.920 N/A ASN 192.A N GLU 188.A O no hydrogen 2.814 N/A THR 193.A N PHE 189.A O no hydrogen 2.942 N/A THR 193.A OG1 PHE 189.A O no hydrogen 2.751 N/A TRP 194.A N LEU 190.A O no hydrogen 3.019 N/A LYS 195.A N VAL 191.A O no hydrogen 2.825 N/A SER 196.A N ASN 192.A O no hydrogen 2.890 N/A SER 196.A OG ASN 192.A O no hydrogen 3.386 N/A SER 196.A OG THR 193.A O no hydrogen 2.765 N/A LYS 197.A N TRP 194.A O no hydrogen 3.307 N/A LYS 197.A NZ ASP 296.A O no hydrogen 2.597 N/A LYS 197.A NZ THR 298.A OG1 no hydrogen 2.824 N/A LYS 198.A N GLU 311.A OE2 no hydrogen 2.693 N/A CYS 199.A N GLU 311.A OE1 no hydrogen 3.083 N/A MET 201.A N CYS 310.A O no hydrogen 2.859 N/A GLY 202.A N GLU 343.A O no hydrogen 2.966 N/A PHE 203.A N VAL 308.A O no hydrogen 2.963 N/A TYR 205.A N LEU 306.A O no hydrogen 3.050 N/A TYR 205.A OH ALA 334.A O no hydrogen 2.563 N/A ARG 208.A N PRO 335.A O no hydrogen 2.996 N/A CYS 209.A SG LYS 41.A O no hydrogen 3.923 N/A SER 212.A OG VAL 42.A O no hydrogen 2.789 N/A THR 213.A N CYS 209.A O no hydrogen 3.257 N/A THR 213.A N PHE 210.A O no hydrogen 2.801 N/A THR 213.A OG1 PHE 210.A O no hydrogen 2.647 N/A THR 213.A OG1 SER 333.A O no hydrogen 3.292 N/A VAL 214.A N PHE 210.A O no hydrogen 3.177 N/A VAL 214.A N ASP 211.A O no hydrogen 3.305 N/A THR 215.A N ASP 218.A OD2 no hydrogen 2.948 N/A THR 215.A OG1 GLN 48.A OE1 no hydrogen 2.754 N/A ASP 218.A N THR 215.A OG1 no hydrogen 2.899 N/A ILE 219.A N THR 215.A O no hydrogen 3.056 N/A ARG 220.A N GLU 216.A O no hydrogen 3.023 N/A ARG 220.A NE GLU 244.A OE2 no hydrogen 3.121 N/A ARG 220.A NH2 GLU 244.A OE1 no hydrogen 3.070 N/A ARG 220.A NH2 GLU 244.A OE2 no hydrogen 3.205 N/A VAL 221.A N SER 217.A O no hydrogen 2.808 N/A GLU 222.A N.A ASP 218.A O no hydrogen 2.884 N/A GLU 222.A N.B ASP 218.A O no hydrogen 2.896 N/A GLU 223.A N ILE 219.A O no hydrogen 3.071 N/A SER 224.A N ARG 220.A O no hydrogen 2.844 N/A SER 224.A OG VAL 221.A O no hydrogen 2.580 N/A ILE 225.A N VAL 221.A O no hydrogen 3.170 N/A ILE 225.A N GLU 222.A O.A no hydrogen 3.129 N/A ILE 225.A N GLU 222.A O.B no hydrogen 3.078 N/A TYR 226.A N GLU 222.A O.A no hydrogen 3.093 N/A TYR 226.A N GLU 222.A O.B no hydrogen 3.060 N/A TYR 226.A OH GLU 222.A OE1.A no hydrogen 2.154 N/A GLN 227.A N GLU 223.A O no hydrogen 2.853 N/A GLN 227.A NE2 GLU 223.A OE2 no hydrogen 2.821 N/A GLN 227.A NE2 ARG 236.A O no hydrogen 3.652 N/A CYS 228.A N ILE 225.A O no hydrogen 3.098 N/A CYS 228.A SG LYS 62.A O no hydrogen 3.853 N/A CYS 228.A SG SER 224.A O no hydrogen 3.447 N/A CYS 229.A N TYR 226.A O no hydrogen 3.060 N/A CYS 229.A SG TYR 226.A O no hydrogen 3.372 N/A ASP 230.A N VAL 68.A O no hydrogen 2.841 N/A ARG 236.A N ALA 232.A O no hydrogen 2.855 N/A ARG 236.A NH1 GLN 227.A O no hydrogen 2.928 N/A ARG 236.A NH1 GLN 227.A OE1 no hydrogen 2.758 N/A ARG 236.A NH2 CYS 229.A O no hydrogen 3.156 N/A GLN 237.A N PRO 233.A O no hydrogen 2.986 N/A GLN 237.A NE2 GLN 237.A O no hydrogen 3.178 N/A GLN 237.A NE2 SER 241.A OG no hydrogen 3.071 N/A ALA 238.A N GLU 234.A O no hydrogen 2.860 N/A ILE 239.A N ALA 235.A O no hydrogen 2.861 N/A ARG 240.A N ARG 236.A O no hydrogen 3.042 N/A ARG 240.A NE GLU 223.A OE1 no hydrogen 3.324 N/A ARG 240.A NE GLU 223.A OE2 no hydrogen 2.949 N/A ARG 240.A NH1 GLU 223.A OE1 no hydrogen 2.761 N/A ARG 240.A NH1 GLU 244.A OE2 no hydrogen 2.924 N/A SER 241.A N GLN 237.A O no hydrogen 2.780 N/A SER 241.A OG LEU 116.A O no hydrogen 2.589 N/A SER 241.A OG ASP 119.A O no hydrogen 3.438 N/A SER 241.A OG GLN 237.A O no hydrogen 3.297 N/A LEU 242.A N ALA 238.A O no hydrogen 2.740 N/A THR 243.A N ILE 239.A O no hydrogen 2.876 N/A THR 243.A OG1 ILE 239.A O no hydrogen 2.786 N/A GLU 244.A N ARG 240.A O no hydrogen 3.124 N/A ARG 245.A N SER 241.A O no hydrogen 2.805 N/A ARG 245.A NE THR 122.A O no hydrogen 2.646 N/A ARG 245.A NH1 ASP 115.A O no hydrogen 3.075 N/A ARG 245.A NH1 ASP 115.A OD2 no hydrogen 2.966 N/A ARG 245.A NH1 ASP 119.A O no hydrogen 2.905 N/A ARG 245.A NH2 ASP 115.A OD2 no hydrogen 2.820 N/A ARG 245.A NH2 THR 122.A O no hydrogen 3.517 N/A LEU 246.A N LEU 242.A O no hydrogen 2.836 N/A TYR 247.A N LEU 242.A O no hydrogen 2.924 N/A TYR 247.A OH GLU 157.A OE2 no hydrogen 2.555 N/A ILE 248.A N THR 243.A O no hydrogen 3.087 N/A GLY 249.A N LEU 246.A O no hydrogen 3.227 N/A GLY 250.A N ARG 263.A O no hydrogen 2.990 N/A LEU 252.A N GLY 261.A O no hydrogen 2.887 N/A THR 253.A N THR 126.A O no hydrogen 2.824 N/A THR 253.A OG1 ASP 125.A OD1 no hydrogen 2.537 N/A THR 253.A OG1 ASP 125.A OD2 no hydrogen 3.564 N/A ASN 254.A N GLN 258.A O no hydrogen 2.859 N/A ASN 254.A ND2 LEU 10.A O no hydrogen 2.799 N/A ASN 254.A ND2 GLN 258.A OE1 no hydrogen 2.802 N/A SER 255.A OG THR 12.A OG1 no hydrogen 2.716 N/A SER 255.A OG PRO 13.A O no hydrogen 2.573 N/A GLY 257.A N ASN 254.A O no hydrogen 2.971 N/A GLN 258.A N ASN 254.A OD1 no hydrogen 2.867 N/A CYS 260.A N LEU 252.A O no hydrogen 2.676 N/A CYS 260.A SG ALA 9.A O no hydrogen 3.660 N/A CYS 260.A SG LEU 10.A O no hydrogen 3.407 N/A GLY 261.A N ASN 259.A OD1 no hydrogen 3.213 N/A TYR 262.A N THR 5.A O no hydrogen 2.890 N/A ARG 263.A N GLY 250.A O no hydrogen 2.917 N/A ARG 263.A NH1 LEU 246.A O no hydrogen 2.800 N/A ARG 263.A NH2 LEU 246.A O no hydrogen 3.219 N/A ARG 263.A NH2 TYR 247.A O no hydrogen 3.244 N/A ARG 263.A NH2 CYS 265.A O no hydrogen 2.862 N/A ARG 264.A N SER 3.A O no hydrogen 2.937 N/A ARG 264.A NH1 MET 2.A O no hydrogen 3.057 N/A CYS 265.A SG SER 3.A O no hydrogen 3.601 N/A CYS 265.A SG ARG 266.A O no hydrogen 3.979 N/A ARG 266.A N ASP 211.A O no hydrogen 3.164 N/A ARG 266.A NE ASN 277.A OD1 no hydrogen 2.822 N/A ARG 266.A NH1 GLU 222.A OE1.B no hydrogen 3.365 N/A ARG 266.A NH1 GLU 222.A OE2.A no hydrogen 3.290 N/A ARG 266.A NH1 GLU 222.A OE2.B no hydrogen 2.496 N/A ARG 266.A NH1 ASN 277.A OD1 no hydrogen 3.173 N/A ARG 266.A NH2 GLU 222.A OE1.B no hydrogen 2.858 N/A ARG 266.A NH2 GLU 222.A OE2.A no hydrogen 2.953 N/A SER 268.A OG LEU 145.A O no hydrogen 3.392 N/A GLY 269.A N VAL 147.A O no hydrogen 2.745 N/A VAL 270.A N THR 273.A OG1 no hydrogen 3.317 N/A LEU 271.A N GLU 157.A OE2 no hydrogen 2.941 N/A THR 273.A N VAL 270.A O no hydrogen 3.215 N/A THR 273.A OG1 ALA 267.A O no hydrogen 2.598 N/A THR 273.A OG1 VAL 270.A O no hydrogen 3.065 N/A CYS 275.A SG TYR 226.A OH no hydrogen 3.776 N/A GLY 276.A N THR 272.A O no hydrogen 2.723 N/A ASN 277.A N THR 273.A O no hydrogen 2.904 N/A ASN 277.A ND2 ASP 211.A OD1 no hydrogen 3.017 N/A THR 278.A N SER 274.A O no hydrogen 2.824 N/A THR 278.A OG1 SER 274.A O no hydrogen 2.749 N/A LEU 279.A N CYS 275.A O no hydrogen 2.940 N/A THR 280.A N GLY 276.A O no hydrogen 2.969 N/A THR 280.A OG1 GLU 222.A OE2.B no hydrogen 2.512 N/A THR 280.A OG1 GLY 276.A O no hydrogen 2.845 N/A CYS 281.A N ASN 277.A O no hydrogen 2.836 N/A TYR 282.A N THR 278.A O no hydrogen 2.920 N/A LEU 283.A N LEU 279.A O no hydrogen 2.837 N/A LYS 284.A N THR 280.A O no hydrogen 3.019 N/A LYS 284.A NZ ASP 218.A OD2 no hydrogen 2.752 N/A LYS 284.A NZ TYR 332.A O no hydrogen 2.922 N/A LYS 284.A NZ SER 333.A O no hydrogen 3.209 N/A ALA 285.A N CYS 281.A O no hydrogen 2.917 N/A THR 286.A N TYR 282.A O no hydrogen 3.059 N/A THR 286.A OG1 TYR 282.A O no hydrogen 2.573 N/A ALA 287.A N LEU 283.A O no hydrogen 3.114 N/A ALA 288.A N LYS 284.A O no hydrogen 2.901 N/A CYS 289.A N ALA 285.A O no hydrogen 2.747 N/A CYS 289.A SG ALA 285.A O no hydrogen 3.184 N/A ARG 290.A N THR 286.A O no hydrogen 3.284 N/A ARG 290.A NH1 GLU 60.A OE2 no hydrogen 3.192 N/A ARG 290.A NH2 GLU 60.A OE1 no hydrogen 2.819 N/A ARG 290.A NH2 GLU 60.A OE2 no hydrogen 3.525 N/A ALA 291.A N ALA 287.A O no hydrogen 2.998 N/A ALA 292.A N ALA 288.A O no hydrogen 2.913 N/A LYS 293.A N ARG 290.A O no hydrogen 3.012 N/A LEU 294.A N CYS 289.A O no hydrogen 3.041 N/A THR 298.A N ILE 309.A O no hydrogen 2.829 N/A LEU 300.A N VAL 307.A O no hydrogen 2.855 N/A VAL 301.A N SER 176.A O no hydrogen 3.042 N/A ASN 302.A N ASP 305.A O no hydrogen 2.874 N/A GLY 303.A N THR 278.A OG1 no hydrogen 2.861 N/A ASP 305.A N ASN 302.A O no hydrogen 2.857 N/A VAL 307.A N LEU 300.A O no hydrogen 3.090 N/A VAL 308.A N PHE 203.A O no hydrogen 2.968 N/A ILE 309.A N THR 298.A O no hydrogen 2.818 N/A CYS 310.A N MET 201.A O no hydrogen 2.706 N/A CYS 310.A SG MET 201.A O no hydrogen 3.542 N/A CYS 310.A SG GLU 311.A O no hydrogen 4.022 N/A GLU 311.A N GLN 295.A O no hydrogen 2.921 N/A SER 312.A N CYS 199.A O no hydrogen 2.685 N/A SER 312.A OG ASP 318.A OD2 no hydrogen 2.630 N/A ALA 313.A N ASP 318.A OD1 no hydrogen 3.065 N/A GLY 314.A N SER 312.A OG no hydrogen 3.318 N/A GLU 317.A N GLU 317.A OE1 no hydrogen 2.622 N/A ASP 318.A N GLY 314.A O no hydrogen 2.933 N/A ALA 319.A N THR 315.A O no hydrogen 3.160 N/A ALA 320.A N GLN 316.A O no hydrogen 3.156 N/A ALA 321.A N GLU 317.A O no hydrogen 3.034 N/A LEU 322.A N ASP 318.A O no hydrogen 2.724 N/A ARG 323.A N ALA 319.A O no hydrogen 3.085 N/A ALA 324.A N ALA 320.A O no hydrogen 3.091 N/A PHE 325.A N ALA 321.A O no hydrogen 2.837 N/A THR 326.A N LEU 322.A O no hydrogen 2.839 N/A THR 326.A OG1 LEU 322.A O no hydrogen 2.927 N/A GLU 327.A N ARG 323.A O no hydrogen 2.923 N/A ALA 328.A N ALA 324.A O no hydrogen 3.011 N/A MET 329.A N PHE 325.A O no hydrogen 2.908 N/A THR 330.A N THR 326.A O no hydrogen 2.795 N/A THR 330.A OG1 THR 326.A O no hydrogen 2.662 N/A ARG 331.A N GLU 327.A O no hydrogen 2.880 N/A TYR 332.A N ALA 328.A O no hydrogen 2.913 N/A TYR 332.A OH ASP 51.A OD1 no hydrogen 2.624 N/A TYR 332.A OH ASP 51.A OD2 no hydrogen 3.072 N/A SER 333.A N THR 330.A O no hydrogen 2.868 N/A SER 333.A OG THR 213.A O no hydrogen 2.956 N/A GLY 337.A N ASP 206.A O no hydrogen 2.807 N/A ASP 338.A N ASP 206.A OD2 no hydrogen 3.395 N/A GLU 343.A N GLY 202.A O no hydrogen 2.785 N/A TYR 344.A OH ASP 318.A OD2 no hydrogen 2.752 N/A GLU 347.A N ASP 345.A OD1 no hydrogen 3.141 N/A LEU 348.A N ASP 345.A O no hydrogen 3.033 N/A ILE 349.A N LEU 346.A O no hydrogen 3.149 N/A SER 351.A N SER 354.A O no hydrogen 2.707 N/A CYS 352.A N ASP 305.A OD1 no hydrogen 3.269 N/A CYS 352.A N ASP 305.A OD2 no hydrogen 2.817 N/A SER 354.A N SER 351.A O no hydrogen 2.984 N/A SER 354.A OG CYS 352.A O no hydrogen 3.127 N/A ASN 355.A N THR 371.A O no hydrogen 3.076 N/A ASN 355.A ND2 GLU 347.A O no hydrogen 3.597 N/A ASN 355.A ND2 VAL 356.A O no hydrogen 2.823 N/A SER 357.A N TYR 369.A O no hydrogen 2.977 N/A ALA 359.A N VAL 367.A O no hydrogen 3.118 N/A HIS 360.A N HIS 461.A O no hydrogen 2.700 N/A ASP 361.A N LYS 365.A O no hydrogen 2.934 N/A GLY 364.A N ASP 361.A O no hydrogen 2.886 N/A LYS 365.A N ASP 361.A OD1 no hydrogen 2.918 N/A VAL 367.A N ALA 359.A O no hydrogen 2.938 N/A TYR 369.A N SER 357.A O no hydrogen 3.095 N/A THR 371.A N ASN 355.A O no hydrogen 2.982 N/A THR 371.A OG1 ARG 372.A O no hydrogen 3.484 N/A THR 371.A OG1 GLU 467.A OE2 no hydrogen 2.638 N/A ARG 372.A NE ASP 373.A O no hydrogen 2.921 N/A THR 375.A N ASP 373.A OD2 no hydrogen 2.946 N/A THR 375.A OG1 ASP 373.A OD2 no hydrogen 2.746 N/A LEU 378.A N PRO 374.A O no hydrogen 3.073 N/A ALA 379.A N THR 375.A O no hydrogen 2.904 N/A ARG 380.A N THR 376.A O no hydrogen 2.879 N/A ARG 380.A NE VAL 134.A O no hydrogen 2.694 N/A ARG 380.A NH2 VAL 134.A O no hydrogen 3.127 N/A ALA 381.A N PRO 377.A O no hydrogen 2.918 N/A ALA 382.A N LEU 378.A O no hydrogen 2.834 N/A TRP 383.A N ALA 379.A O no hydrogen 2.959 N/A GLU 384.A N ARG 380.A O no hydrogen 2.881 N/A THR 385.A N ALA 381.A O no hydrogen 3.041 N/A THR 385.A OG1 ALA 381.A O no hydrogen 2.914 N/A THR 385.A OG1 HIS 414.A NE2 no hydrogen 3.006 N/A ALA 386.A N ALA 382.A O no hydrogen 3.244 N/A ARG 387.A N TRP 383.A O no hydrogen 2.809 N/A ARG 387.A NH2 LYS 20.A O no hydrogen 3.266 N/A THR 389.A OG1 ARG 387.A O no hydrogen 3.377 N/A ASN 392.A N ASP 430.A O no hydrogen 3.080 N/A ASN 392.A ND2 ASP 430.A O no hydrogen 3.149 N/A SER 393.A N GLU 384.A OE2 no hydrogen 2.895 N/A SER 393.A OG GLU 384.A OE1 no hydrogen 3.344 N/A SER 393.A OG GLU 384.A OE2 no hydrogen 2.582 N/A TRP 394.A N GLU 384.A OE1 no hydrogen 3.149 N/A TRP 394.A NE1 ASN 392.A OD1 no hydrogen 3.025 N/A LEU 395.A N ASN 392.A O no hydrogen 3.028 N/A GLY 396.A N ASN 392.A O no hydrogen 3.406 N/A ASN 397.A N SER 393.A O no hydrogen 2.862 N/A ILE 398.A N TRP 394.A O no hydrogen 3.070 N/A ILE 399.A N LEU 395.A O no hydrogen 3.100 N/A MET 400.A N GLY 396.A O no hydrogen 2.853 N/A TYR 401.A N ASN 397.A O no hydrogen 2.787 N/A TYR 401.A OH SER 354.A OG no hydrogen 2.614 N/A THR 404.A N TYR 401.A O no hydrogen 3.088 N/A THR 404.A OG1 TYR 401.A O no hydrogen 2.834 N/A TRP 406.A NE1 THR 371.A OG1 no hydrogen 3.158 N/A ALA 407.A N THR 404.A OG1 no hydrogen 3.107 N/A ARG 408.A N THR 404.A O no hydrogen 3.263 N/A ARG 408.A NH1 LEU 460.A O no hydrogen 3.043 N/A ARG 408.A NH1 TYR 463.A OH no hydrogen 2.986 N/A MET 409.A N LEU 405.A O no hydrogen 3.048 N/A ILE 410.A N TRP 406.A O no hydrogen 3.151 N/A LEU 411.A N TRP 406.A O no hydrogen 3.371 N/A MET 412.A N ALA 407.A O no hydrogen 2.975 N/A THR 413.A OG1 MET 409.A O no hydrogen 2.705 N/A HIS 414.A N ILE 410.A O no hydrogen 2.768 N/A HIS 414.A NE2 THR 385.A OG1 no hydrogen 3.006 N/A PHE 415.A N LEU 411.A O no hydrogen 3.077 N/A PHE 416.A N MET 412.A O no hydrogen 2.886 N/A SER 417.A N THR 413.A O no hydrogen 3.102 N/A ILE 418.A N HIS 414.A O no hydrogen 3.136 N/A LEU 419.A N PHE 415.A O no hydrogen 2.912 N/A LEU 420.A N PHE 416.A O no hydrogen 2.993 N/A ALA 421.A N SER 417.A O no hydrogen 3.033 N/A GLN 422.A N ILE 418.A O no hydrogen 2.930 N/A GLU 423.A N LEU 420.A O no hydrogen 3.444 N/A GLN 424.A N LEU 419.A O no hydrogen 3.100 N/A GLN 424.A NE2 GLN 422.A OE1 no hydrogen 3.387 N/A LYS 427.A NZ GLN 424.A OE1 no hydrogen 3.249 N/A LEU 429.A N ILE 440.A O no hydrogen 2.712 N/A CYS 431.A N TYR 438.A O no hydrogen 2.788 N/A ILE 433.A N ALA 436.A O no hydrogen 2.988 N/A TYR 434.A OH TYR 181.A O no hydrogen 3.402 N/A ALA 436.A N ILE 433.A O no hydrogen 3.244 N/A CYS 437.A N ILE 546.A O no hydrogen 2.896 N/A TYR 438.A N CYS 431.A O no hydrogen 2.762 N/A TYR 438.A OH GLY 535.A O no hydrogen 2.910 N/A SER 439.A OG ASP 430.A OD1 no hydrogen 3.407 N/A ILE 440.A N LEU 429.A O no hydrogen 2.749 N/A ASP 444.A N GLU 441.A O no hydrogen 2.806 N/A LEU 445.A N PRO 442.A O no hydrogen 3.106 N/A GLN 447.A NE2 ASP 444.A OD1 no hydrogen 3.354 N/A ILE 448.A N ASP 444.A O no hydrogen 3.336 N/A ILE 449.A N LEU 445.A O no hydrogen 2.792 N/A GLU 450.A N PRO 446.A O no hydrogen 3.300 N/A ARG 451.A N GLN 447.A O no hydrogen 3.082 N/A LEU 452.A N ILE 449.A O no hydrogen 3.148 N/A HIS 453.A N ILE 449.A O no hydrogen 2.837 N/A HIS 453.A NE2 ILE 399.A O no hydrogen 2.689 N/A GLY 454.A N GLU 450.A O no hydrogen 2.767 N/A ALA 457.A N GLY 454.A O no hydrogen 3.283 N/A PHE 458.A N LEU 455.A O no hydrogen 3.067 N/A THR 459.A N SER 456.A O no hydrogen 2.991 N/A THR 459.A OG1 SER 456.A O no hydrogen 3.565 N/A HIS 461.A N HIS 360.A O no hydrogen 2.894 N/A TYR 463.A OH PRO 403.A O no hydrogen 2.523 N/A GLY 466.A N SER 464.A OG no hydrogen 3.237 N/A ILE 468.A N SER 464.A O no hydrogen 2.822 N/A ASN 469.A N PRO 465.A O no hydrogen 2.931 N/A ARG 470.A N GLY 466.A O no hydrogen 3.001 N/A ARG 470.A NH1 ASN 355.A OD1 no hydrogen 3.385 N/A ARG 470.A NH2 ASN 355.A OD1 no hydrogen 3.049 N/A ARG 470.A NH2 GLU 467.A OE1 no hydrogen 2.825 N/A VAL 471.A N GLU 467.A O no hydrogen 3.100 N/A ALA 472.A N ILE 468.A O no hydrogen 3.037 N/A SER 473.A N ASN 469.A O no hydrogen 2.789 N/A CYS 474.A N ARG 470.A O no hydrogen 2.967 N/A CYS 474.A SG THR 375.A OG1 no hydrogen 3.174 N/A LEU 475.A N VAL 471.A O no hydrogen 3.058 N/A ARG 476.A N ALA 472.A O no hydrogen 3.158 N/A LYS 477.A N SER 473.A O no hydrogen 3.028 N/A LYS 477.A NZ THR 375.A OG1 no hydrogen 2.756 N/A LEU 478.A N CYS 474.A O no hydrogen 3.062 N/A GLY 479.A N ARG 476.A O no hydrogen 3.268 N/A VAL 480.A N LEU 475.A O no hydrogen 2.661 N/A THR 485.A N PRO 482.A O no hydrogen 2.718 N/A TRP 486.A N PRO 482.A O no hydrogen 3.406 N/A ARG 487.A N LEU 483.A O no hydrogen 2.972 N/A HIS 488.A N ARG 484.A O no hydrogen 3.311 N/A ARG 489.A N THR 485.A O no hydrogen 2.949 N/A ALA 490.A N TRP 486.A O no hydrogen 2.785 N/A ARG 491.A N ARG 487.A O no hydrogen 3.277 N/A ARG 491.A NH1 ALA 515.A O no hydrogen 2.957 N/A VAL 493.A N ARG 489.A O no hydrogen 3.098 N/A ARG 494.A N ALA 490.A O no hydrogen 2.852 N/A ARG 494.A NE PHE 512.A O no hydrogen 3.228 N/A ARG 494.A NH2 ARG 509.A O no hydrogen 3.154 N/A ALA 495.A N ARG 491.A O no hydrogen 3.194 N/A LYS 496.A N SER 492.A O no hydrogen 3.299 N/A LEU 497.A N VAL 493.A O no hydrogen 3.048 N/A LEU 498.A N ARG 494.A O no hydrogen 2.969 N/A SER 499.A N ALA 495.A O no hydrogen 3.183 N/A SER 499.A OG ALA 495.A O no hydrogen 3.419 N/A SER 499.A OG LYS 496.A O no hydrogen 2.602 N/A GLN 500.A N LYS 496.A O no hydrogen 3.122 N/A GLN 500.A N LEU 497.A O no hydrogen 3.129 N/A GLY 501.A N LEU 498.A O no hydrogen 2.999 N/A ARG 503.A NH1 GLU 441.A OE1 no hydrogen 3.307 N/A ARG 503.A NH1 ASP 444.A OD1 no hydrogen 2.827 N/A ARG 503.A NH2 GLU 441.A OE1 no hydrogen 3.514 N/A THR 506.A N GLY 502.A O no hydrogen 3.442 N/A THR 506.A OG1 GLY 502.A O no hydrogen 3.072 N/A CYS 507.A N ARG 503.A O no hydrogen 3.267 N/A CYS 507.A SG LEU 443.A O no hydrogen 3.661 N/A CYS 507.A SG ARG 503.A O no hydrogen 3.472 N/A GLY 508.A N ALA 504.A O no hydrogen 2.871 N/A ARG 509.A N ALA 505.A O no hydrogen 2.865 N/A ARG 509.A NH2 LYS 521.A O no hydrogen 3.326 N/A TYR 510.A N THR 506.A O no hydrogen 2.852 N/A TYR 510.A OH THR 523.A O no hydrogen 2.430 N/A LEU 511.A N CYS 507.A O no hydrogen 2.750 N/A ASN 513.A ND2 LEU 520.A O no hydrogen 3.144 N/A ALA 515.A N PHE 512.A O no hydrogen 3.093 N/A LEU 520.A N ASN 513.A OD1 no hydrogen 3.064 N/A ILE 525.A N GLU 450.A OE1 no hydrogen 3.093 N/A ALA 528.A N ILE 525.A O no hydrogen 3.248 N/A SER 529.A OG PRO 526.A O no hydrogen 3.326 N/A LEU 531.A N ALA 528.A O no hydrogen 3.212 N/A SER 534.A N ASP 532.A OD2 no hydrogen 3.361 N/A GLY 540.A N TYR 177.A OH no hydrogen 3.070 N/A TYR 541.A N TYR 434.A O no hydrogen 2.861 N/A TYR 541.A OH SER 166.A OG no hydrogen 2.790 N/A GLY 544.A N TYR 541.A O no hydrogen 2.719 N/A TYR 547.A N LEU 81.A O no hydrogen 2.818 N/A TYR 547.A OH SER 549.A OG no hydrogen 3.237 N/A HIS 548.A N CYS 437.A O no hydrogen 2.779 N/A SER 549.A OG TYR 547.A OH no hydrogen 3.237 N/A