Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f9d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 2.A NE1 GLY 6.A O no hydrogen 2.890 N/A GLY 6.A N PRO 3.A O no hydrogen 3.046 N/A PHE 7.A N ALA 236.A O no hydrogen 2.926 N/A VAL 8.A N ALA 65.A O no hydrogen 3.054 N/A ILE 10.A N VAL 67.A O no hydrogen 2.997 N/A SER 11.A N VAL 247.A O no hydrogen 2.823 N/A SER 11.A OG ASP 71.A OD2 no hydrogen 2.865 N/A TRP 12.A N THR 69.A O no hydrogen 2.851 N/A TRP 12.A NE1 GLN 34.A OE1 no hydrogen 2.798 N/A ASN 14.A N MET 24.A O no hydrogen 2.906 N/A ASN 14.A ND2 GLU 16.A OE2 no hydrogen 2.597 N/A ASN 14.A ND2 SER 25.A OG no hydrogen 3.364 N/A VAL 15.A N SER 76.A OG no hydrogen 3.108 N/A GLU 16.A N VAL 26.A O no hydrogen 2.942 N/A PHE 23.A N ASP 20.A O no hydrogen 3.358 N/A SER 25.A N ASN 251.A OD1 no hydrogen 3.008 N/A VAL 26.A N ASN 14.A O no hydrogen 3.145 N/A THR 28.A N GLU 16.A O no hydrogen 2.906 N/A THR 28.A OG1 ASP 17.A OD1 no hydrogen 2.756 N/A LEU 31.A N ARG 27.A O no hydrogen 2.858 N/A ARG 32.A N THR 28.A O no hydrogen 2.856 N/A GLU 33.A N SER 29.A O no hydrogen 2.875 N/A GLN 34.A N ALA 30.A O no hydrogen 2.721 N/A PHE 35.A N LEU 31.A O no hydrogen 2.829 N/A ALA 36.A N ARG 32.A O no hydrogen 2.861 N/A TRP 37.A N GLU 33.A O no hydrogen 2.729 N/A LEU 38.A N GLN 34.A O no hydrogen 2.811 N/A ARG 39.A N PHE 35.A O no hydrogen 2.878 N/A GLU 40.A N ALA 36.A O no hydrogen 2.874 N/A ASN 41.A N TRP 37.A O no hydrogen 3.062 N/A ASN 41.A N LEU 38.A O no hydrogen 3.337 N/A ASN 41.A ND2 TRP 37.A O no hydrogen 2.883 N/A GLY 42.A N ARG 39.A O no hydrogen 3.166 N/A TYR 43.A N LEU 38.A O no hydrogen 2.944 N/A GLN 44.A N LYS 64.A O no hydrogen 2.915 N/A VAL 46.A N VAL 66.A O no hydrogen 2.794 N/A SER 47.A N GLN 50.A OE1 no hydrogen 2.928 N/A GLN 50.A N SER 47.A OG no hydrogen 3.105 N/A ILE 51.A N SER 47.A O no hydrogen 3.040 N/A ARG 52.A N ILE 48.A O no hydrogen 2.876 N/A ARG 52.A NE ASP 226.A OD2 no hydrogen 2.912 N/A ARG 52.A NH1 ASP 226.A OD1 no hydrogen 3.032 N/A GLU 53.A N ALA 49.A O no hydrogen 2.934 N/A ALA 54.A N GLN 50.A O no hydrogen 2.971 N/A HIS 55.A N ILE 51.A O no hydrogen 2.897 N/A HIS 55.A ND1 ALA 238.A O no hydrogen 2.581 N/A ARG 56.A N ARG 52.A O no hydrogen 2.950 N/A GLY 57.A N ALA 54.A O no hydrogen 3.096 N/A GLY 58.A N GLU 53.A O no hydrogen 2.866 N/A LEU 61.A N ASN 5.A OD1 no hydrogen 2.782 N/A LYS 64.A NZ ASN 41.A O no hydrogen 2.797 N/A ALA 65.A N PRO 62.A O no hydrogen 3.219 N/A VAL 66.A N GLN 44.A O no hydrogen 2.875 N/A VAL 67.A N VAL 8.A O no hydrogen 2.917 N/A THR 69.A N ILE 10.A O no hydrogen 2.928 N/A THR 69.A OG1 ILE 10.A O no hydrogen 2.584 N/A PHE 70.A N VAL 93.A O no hydrogen 2.801 N/A ASP 71.A N TRP 12.A O no hydrogen 2.965 N/A ASP 72.A N ALA 95.A O no hydrogen 2.763 N/A TYR 74.A OH ASP 72.A OD2 no hydrogen 2.679 N/A GLN 75.A N TYR 120.A O no hydrogen 2.844 N/A GLN 75.A NE2 GLU 119.A O no hydrogen 2.558 N/A SER 76.A OG ASN 14.A OD1 no hydrogen 2.520 N/A PHE 77.A N TYR 74.A O no hydrogen 3.152 N/A TYR 78.A OH GLU 129.A OE1 no hydrogen 3.247 N/A TYR 78.A OH GLU 129.A OE2 no hydrogen 2.433 N/A THR 79.A N GLN 75.A O no hydrogen 2.962 N/A THR 79.A OG1 GLN 75.A O no hydrogen 3.395 N/A ARG 80.A N SER 76.A O no hydrogen 2.875 N/A ARG 80.A NE VAL 15.A O no hydrogen 2.704 N/A ARG 80.A NH1 ASP 17.A OD2 no hydrogen 3.062 N/A ARG 80.A NH2 VAL 15.A O no hydrogen 3.180 N/A VAL 81.A N SER 76.A O no hydrogen 3.211 N/A PHE 82.A N PHE 77.A O no hydrogen 2.719 N/A LEU 85.A N VAL 81.A O no hydrogen 2.947 N/A GLN 86.A N PHE 82.A O no hydrogen 2.943 N/A ALA 87.A N PRO 83.A O no hydrogen 2.999 N/A PHE 88.A N ILE 84.A O no hydrogen 2.936 N/A GLN 89.A N GLN 86.A O no hydrogen 3.285 N/A GLN 89.A NE2 GLN 86.A O no hydrogen 2.663 N/A TRP 90.A N LEU 85.A O no hydrogen 2.934 N/A ALA 92.A N LEU 135.A O no hydrogen 3.266 N/A VAL 93.A N LEU 68.A O no hydrogen 2.859 N/A TRP 94.A N GLU 137.A O no hydrogen 2.904 N/A ALA 95.A N PHE 70.A O no hydrogen 2.889 N/A GLY 98.A N THR 142.A O no hydrogen 2.972 N/A SER 99.A N TRP 143.A O no hydrogen 2.769 N/A SER 99.A OG TRP 143.A O no hydrogen 2.961 N/A TRP 100.A N VAL 97.A O no hydrogen 3.233 N/A VAL 101.A N VAL 97.A O no hydrogen 3.231 N/A ASP 102.A N GLY 98.A O no hydrogen 2.882 N/A THR 103.A N TRP 100.A O no hydrogen 3.261 N/A THR 103.A OG1 SER 99.A O no hydrogen 2.916 N/A THR 103.A OG1 TRP 100.A O no hydrogen 2.926 N/A LYS 107.A N PRO 104.A O no hydrogen 3.234 N/A GLN 108.A NE2 ASP 117.A OD1 no hydrogen 2.882 N/A VAL 109.A N VAL 116.A O no hydrogen 2.868 N/A PHE 111.A N VAL 109.A O no hydrogen 3.016 N/A PHE 111.A N GLU 114.A O no hydrogen 2.956 N/A GLU 114.A N PHE 111.A O no hydrogen 3.117 N/A VAL 116.A N VAL 109.A O no hydrogen 3.078 N/A ARG 118.A NE THR 103.A O no hydrogen 2.793 N/A ARG 118.A NE PRO 104.A O no hydrogen 3.250 N/A ARG 118.A NH1 ARG 118.A O no hydrogen 3.087 N/A ARG 118.A NH1 PHE 121.A O no hydrogen 2.957 N/A ARG 118.A NH1 ALA 122.A O no hydrogen 3.162 N/A ARG 118.A NH2 THR 103.A O no hydrogen 2.879 N/A ARG 118.A NH2 ALA 122.A O no hydrogen 3.111 N/A TYR 120.A N ASP 117.A O no hydrogen 3.155 N/A PHE 121.A N ARG 118.A O no hydrogen 2.961 N/A ALA 122.A N GLY 73.A O no hydrogen 2.964 N/A THR 123.A N GLN 126.A OE1 no hydrogen 2.928 N/A THR 123.A OG1 GLN 125.A OE1 no hydrogen 3.307 N/A TRP 124.A NE1 ASP 102.A OD1 no hydrogen 2.642 N/A GLN 126.A N THR 123.A OG1 no hydrogen 3.173 N/A GLN 126.A NE2 GLN 75.A OE1 no hydrogen 2.873 N/A VAL 127.A N THR 123.A O no hydrogen 2.985 N/A ARG 128.A N TRP 124.A O no hydrogen 2.846 N/A ARG 128.A NH2 LYS 197.A O no hydrogen 2.693 N/A GLU 129.A N GLN 125.A O no hydrogen 3.136 N/A VAL 130.A N GLN 126.A O no hydrogen 3.068 N/A ALA 131.A N VAL 127.A O no hydrogen 2.813 N/A ARG 132.A N ARG 128.A O no hydrogen 2.860 N/A SER 133.A N GLU 129.A O no hydrogen 3.300 N/A SER 133.A N VAL 130.A O no hydrogen 3.233 N/A SER 133.A OG VAL 130.A O no hydrogen 2.823 N/A ARG 134.A N ALA 131.A O no hydrogen 3.180 N/A LEU 135.A N SER 133.A OG no hydrogen 3.220 N/A GLU 137.A N ALA 92.A O no hydrogen 2.899 N/A ALA 139.A N TRP 94.A O no hydrogen 2.862 N/A SER 140.A N VAL 204.A O no hydrogen 2.898 N/A HIS 141.A N PRO 96.A O no hydrogen 3.115 N/A HIS 141.A ND1 VAL 206.A O no hydrogen 2.601 N/A THR 142.A N SER 140.A OG no hydrogen 2.957 N/A THR 142.A OG1 HIS 141.A O no hydrogen 2.629 N/A TRP 143.A N ASP 186.A OD1 no hydrogen 2.912 N/A ASN 144.A N ASP 186.A OD2 no hydrogen 2.839 N/A SER 145.A N THR 142.A OG1 no hydrogen 3.000 N/A SER 145.A OG ASP 186.A OD2 no hydrogen 2.844 N/A HIS 146.A ND1 HIS 146.A O no hydrogen 2.652 N/A ILE 149.A N LEU 158.A O no hydrogen 2.794 N/A GLN 150.A NE2 ASN 152.A O no hydrogen 2.981 N/A ALA 151.A N SER 156.A O no hydrogen 2.895 N/A ASN 152.A ND2 SER 156.A OG no hydrogen 2.959 N/A ASN 152.A ND2 SER 340.A OG no hydrogen 3.038 N/A ALA 153.A N ASP 337.A OD2 no hydrogen 3.332 N/A THR 154.A N ASN 152.A OD1 no hydrogen 3.239 N/A THR 154.A OG1 ASN 152.A OD1 no hydrogen 3.245 N/A GLY 155.A N ASN 152.A O no hydrogen 3.294 N/A SER 156.A N ASN 152.A OD1 no hydrogen 2.973 N/A LEU 158.A N ILE 149.A O no hydrogen 2.918 N/A VAL 160.A N TYR 147.A O no hydrogen 2.946 N/A TYR 161.A OH ILE 183.A O no hydrogen 2.857 N/A VAL 162.A N PRO 159.A O no hydrogen 3.345 N/A ASN 163.A ND2 PRO 159.A O no hydrogen 3.013 N/A ARG 164.A NH2.B GLU 174.A O no hydrogen 2.834 N/A ALA 165.A N GLU 174.A OE1 no hydrogen 2.866 N/A TYR 166.A N GLN 150.A O no hydrogen 2.859 N/A PHE 167.A N ARG 172.A O no hydrogen 2.774 N/A HIS 170.A N PHE 167.A O no hydrogen 3.070 N/A ARG 172.A N PHE 167.A O no hydrogen 3.368 N/A ARG 172.A NH1 TYR 173.A O no hydrogen 2.972 N/A ARG 172.A NH1 GLU 178.A OE1 no hydrogen 2.884 N/A ARG 172.A NH1 GLU 178.A OE2 no hydrogen 3.533 N/A ARG 172.A NH2 GLU 178.A OE2 no hydrogen 2.744 N/A TYR 173.A OH ASP 337.A OD1 no hydrogen 3.271 N/A TYR 173.A OH ASP 337.A OD2 no hydrogen 2.437 N/A GLU 174.A N ALA 165.A O no hydrogen 2.816 N/A THR 175.A N GLU 178.A OE1 no hydrogen 2.832 N/A GLU 178.A N THR 175.A OG1 no hydrogen 3.048 N/A TYR 179.A N THR 175.A O no hydrogen 2.926 N/A TYR 179.A OH TYR 161.A O no hydrogen 2.757 N/A ARG 180.A N ALA 176.A O no hydrogen 3.015 N/A ARG 180.A NH1 GLU 218.A OE1 no hydrogen 2.919 N/A ARG 180.A NH1 GLU 219.A OE2 no hydrogen 2.854 N/A ARG 180.A NH2 GLU 218.A OE1 no hydrogen 3.216 N/A GLU 181.A N ALA 177.A O no hydrogen 3.108 N/A ARG 182.A N GLU 178.A O no hydrogen 2.915 N/A ARG 182.A NE GLU 174.A OE2 no hydrogen 2.809 N/A ARG 182.A NH1 VAL 160.A O no hydrogen 2.895 N/A ARG 182.A NH2 VAL 160.A O no hydrogen 3.360 N/A ARG 182.A NH2 ASN 163.A O no hydrogen 3.090 N/A ARG 182.A NH2 GLU 174.A OE1 no hydrogen 2.883 N/A ILE 183.A N TYR 179.A O no hydrogen 2.986 N/A ARG 184.A N ARG 180.A O no hydrogen 2.914 N/A ARG 184.A NE GLU 181.A OE1 no hydrogen 2.892 N/A ARG 184.A NH2 GLU 181.A OE1 no hydrogen 3.124 N/A ARG 184.A NH2 GLU 181.A OE2 no hydrogen 2.496 N/A LEU 185.A N GLU 181.A O no hydrogen 2.895 N/A ASP 186.A N ARG 182.A O no hydrogen 3.234 N/A ALA 187.A N ILE 183.A O no hydrogen 3.257 N/A VAL 188.A N ARG 184.A O no hydrogen 2.889 N/A LYS 189.A N LEU 185.A O no hydrogen 3.047 N/A MET 190.A N ASP 186.A O no hydrogen 3.053 N/A THR 191.A N ALA 187.A O no hydrogen 2.888 N/A THR 191.A OG1 ALA 187.A O no hydrogen 2.639 N/A THR 191.A OG1 TYR 225.A OH no hydrogen 2.784 N/A GLU 192.A N VAL 188.A O no hydrogen 2.915 N/A TYR 193.A N LYS 189.A O no hydrogen 2.963 N/A LEU 194.A N MET 190.A O no hydrogen 3.023 N/A ARG 195.A N THR 191.A O no hydrogen 3.091 N/A ARG 195.A NE ASN 201.A OD1 no hydrogen 2.996 N/A THR 196.A N GLU 192.A O no hydrogen 2.836 N/A THR 196.A OG1 GLU 192.A O no hydrogen 3.068 N/A THR 196.A OG1 GLU 192.A OE2 no hydrogen 3.307 N/A LYS 197.A N TYR 193.A O no hydrogen 2.662 N/A VAL 198.A N LEU 194.A O no hydrogen 3.182 N/A VAL 200.A N LEU 194.A O no hydrogen 3.288 N/A HIS 203.A ND1 GLY 224.A O no hydrogen 2.772 N/A PHE 205.A N MET 227.A O no hydrogen 2.869 N/A VAL 206.A N SER 140.A O no hydrogen 2.878 N/A TRP 207.A N PHE 229.A O no hydrogen 3.186 N/A GLY 210.A N TRP 207.A O no hydrogen 3.061 N/A GLU 211.A N PRO 208.A O no hydrogen 3.182 N/A ASN 213.A ND2 VAL 162.A O no hydrogen 3.273 N/A GLY 214.A N ILE 485.A O no hydrogen 2.736 N/A ILE 215.A N ILE 485.A O no hydrogen 3.403 N/A ALA 216.A N ASN 213.A OD1 no hydrogen 2.914 N/A ILE 217.A N ASN 213.A O no hydrogen 3.032 N/A GLU 218.A N GLY 214.A O no hydrogen 3.088 N/A GLU 219.A N ILE 215.A O no hydrogen 3.111 N/A LEU 220.A N ALA 216.A O no hydrogen 2.845 N/A LYS 221.A N ILE 217.A O no hydrogen 2.846 N/A LYS 221.A NZ ASP 242.A OD1 no hydrogen 3.297 N/A LYS 221.A NZ ASP 242.A OD2 no hydrogen 2.897 N/A LYS 222.A N GLU 218.A O no hydrogen 3.238 N/A LYS 222.A NZ GLU 219.A OE2 no hydrogen 2.659 N/A LEU 223.A N LEU 220.A O no hydrogen 2.980 N/A GLY 224.A N LYS 221.A O no hydrogen 3.058 N/A TYR 225.A N LEU 220.A O no hydrogen 3.137 N/A TYR 225.A OH THR 191.A OG1 no hydrogen 2.784 N/A ASP 226.A N HIS 203.A O no hydrogen 2.859 N/A MET 227.A N HIS 203.A O no hydrogen 3.390 N/A PHE 228.A N LEU 241.A O no hydrogen 3.009 N/A PHE 229.A N PHE 205.A O no hydrogen 2.934 N/A THR 230.A N ILE 244.A O no hydrogen 2.770 N/A THR 230.A OG1 GLU 232.A OE1 no hydrogen 2.886 N/A THR 230.A OG1 ILE 244.A O no hydrogen 3.075 N/A GLU 232.A N THR 230.A OG1 no hydrogen 3.020 N/A ALA 236.A N PHE 7.A O no hydrogen 2.883 N/A ASN 237.A ND2 HIS 4.A O no hydrogen 2.929 N/A ALA 238.A N ASN 5.A O no hydrogen 2.877 N/A SER 239.A N ASN 237.A OD1 no hydrogen 3.071 N/A SER 239.A OG ASN 237.A OD1 no hydrogen 3.094 N/A GLN 240.A N ASN 237.A O no hydrogen 3.008 N/A GLN 240.A NE2 SER 243.A O no hydrogen 2.884 N/A ASP 242.A N GLN 240.A OE1 no hydrogen 3.096 N/A SER 243.A N GLN 240.A OE1 no hydrogen 2.917 N/A SER 243.A OG GLU 232.A OE1 no hydrogen 2.541 N/A ILE 244.A N PHE 228.A O no hydrogen 2.842 N/A ARG 246.A NE THR 230.A O no hydrogen 2.906 N/A ARG 246.A NH1 THR 69.A OG1 no hydrogen 2.904 N/A ARG 246.A NH1 ASP 71.A OD1 no hydrogen 2.747 N/A ARG 246.A NH1 ASP 71.A OD2 no hydrogen 3.086 N/A ARG 246.A NH2 ASP 71.A OD2 no hydrogen 2.948 N/A VAL 247.A N ALA 9.A O no hydrogen 2.834 N/A ILE 249.A N SER 11.A O no hydrogen 3.059 N/A ASN 252.A N SER 25.A O no hydrogen 2.745 N/A SER 254.A N GLU 257.A OE1 no hydrogen 2.860 N/A GLU 257.A N SER 254.A OG no hydrogen 2.810 N/A PHE 258.A N SER 254.A O no hydrogen 2.863 N/A ALA 259.A N LEU 255.A O no hydrogen 2.834 N/A GLN 260.A N LYS 256.A O no hydrogen 2.991 N/A GLN 261.A N GLU 257.A O no hydrogen 3.273 N/A GLN 261.A NE2 LEU 248.A O no hydrogen 2.902 N/A ILE 262.A N PHE 258.A O no hydrogen 3.166 N/A ILE 263.A N ALA 259.A O no hydrogen 2.781 N/A THR 264.A N GLN 260.A O no hydrogen 2.890 N/A THR 264.A OG1 GLN 260.A O no hydrogen 2.640 N/A VAL 265.A N ILE 262.A O no hydrogen 3.362 N/A GLU 267.A N THR 264.A O no hydrogen 3.069 N/A GLN 271.A N ASN 587.A OD1 no hydrogen 2.807 N/A GLN 271.A NE2 SER 269.A O no hydrogen 2.988 N/A ARG 272.A N SER 306.A OG no hydrogen 3.013 N/A ARG 272.A NE MET 303.A O no hydrogen 2.874 N/A ARG 272.A NH2 MET 303.A O no hydrogen 3.129 N/A ILE 273.A N TYR 588.A O no hydrogen 2.783 N/A MET 274.A N THR 307.A O no hydrogen 2.962 N/A HIS 275.A N TYR 590.A O no hydrogen 2.926 N/A HIS 275.A ND1 TYR 590.A O no hydrogen 3.075 N/A ILE 276.A N TYR 309.A O no hydrogen 2.940 N/A ASP 279.A N ASP 277.A OD1 no hydrogen 2.884 N/A TYR 280.A N ASP 277.A O no hydrogen 3.127 N/A VAL 281.A N LEU 278.A O no hydrogen 3.152 N/A TYR 282.A N LEU 278.A O no hydrogen 2.913 N/A ASN 285.A N ASP 283.A OD1 no hydrogen 2.717 N/A GLN 288.A N ASN 285.A OD1 no hydrogen 2.872 N/A GLN 288.A NE2 ASN 292.A OD1 no hydrogen 2.999 N/A MET 289.A N ASN 285.A O no hydrogen 2.944 N/A ASP 290.A N LEU 286.A O no hydrogen 2.873 N/A ARG 291.A N GLN 287.A O no hydrogen 2.984 N/A ARG 291.A NE GLN 288.A OE1 no hydrogen 3.093 N/A ARG 291.A NH2 GLN 288.A OE1 no hydrogen 2.931 N/A ASN 292.A N GLN 288.A O no hydrogen 2.919 N/A ASN 292.A ND2 VAL 281.A O no hydrogen 3.019 N/A ILE 293.A N MET 289.A O no hydrogen 2.893 N/A ASP 294.A N ASP 290.A O no hydrogen 2.966 N/A VAL 295.A N ARG 291.A O no hydrogen 3.137 N/A LEU 296.A N ASN 292.A O no hydrogen 2.987 N/A ILE 297.A N ILE 293.A O no hydrogen 2.877 N/A GLN 298.A N ASP 294.A O no hydrogen 3.094 N/A GLN 298.A NE2 ASP 302.A OD1 no hydrogen 2.954 N/A ARG 299.A N VAL 295.A O no hydrogen 2.916 N/A VAL 300.A N LEU 296.A O no hydrogen 2.905 N/A LYS 301.A N ILE 297.A O no hydrogen 2.975 N/A ASP 302.A N GLN 298.A O no hydrogen 2.770 N/A MET 303.A N ARG 299.A O no hydrogen 2.813 N/A GLN 304.A N LYS 301.A O no hydrogen 3.151 N/A ILE 305.A N VAL 300.A O no hydrogen 3.058 N/A SER 306.A N ARG 272.A O no hydrogen 2.820 N/A SER 306.A OG GLN 271.A OE1 no hydrogen 3.076 N/A SER 306.A OG ARG 272.A O no hydrogen 3.299 N/A THR 307.A N ARG 272.A O no hydrogen 3.302 N/A THR 307.A OG1 GLN 271.A OE1 no hydrogen 3.436 N/A VAL 308.A N ASN 353.A O no hydrogen 2.871 N/A TYR 309.A N MET 274.A O no hydrogen 2.888 N/A LEU 310.A N TYR 355.A O no hydrogen 2.817 N/A GLN 311.A N ILE 276.A O no hydrogen 2.894 N/A ALA 312.A N TRP 357.A O no hydrogen 3.019 N/A ALA 314.A N GLU 324.A O no hydrogen 2.953 N/A ASP 315.A N ASP 279.A OD2 no hydrogen 3.013 N/A GLY 318.A N ASP 315.A O no hydrogen 3.072 N/A ASP 319.A N ASP 317.A OD2 no hydrogen 3.386 N/A GLY 320.A N ASP 315.A OD2 no hydrogen 3.067 N/A LEU 321.A N ASP 319.A OD1 no hydrogen 2.732 N/A VAL 322.A N SER 362.A O no hydrogen 2.876 N/A VAL 325.A N PRO 333.A O no hydrogen 3.025 N/A TRP 326.A N ALA 312.A O no hydrogen 2.997 N/A ASN 329.A ND2 PHE 327.A O no hydrogen 3.196 N/A ASN 329.A ND2 LEU 332.A O no hydrogen 2.912 N/A ARG 330.A N ASP 409.A OD2 no hydrogen 2.815 N/A ARG 330.A NE ASP 409.A OD1 no hydrogen 3.076 N/A ARG 330.A NE ASP 409.A OD2 no hydrogen 2.948 N/A ARG 330.A NH2 MET 405.A O no hydrogen 3.498 N/A ARG 330.A NH2 ASP 409.A OD1 no hydrogen 3.179 N/A LEU 331.A N ASN 329.A OD1 no hydrogen 2.903 N/A LEU 332.A N ASN 329.A OD1 no hydrogen 2.730 N/A LYS 335.A N VAL 325.A O no hydrogen 2.890 N/A ILE 338.A N TRP 326.A O no hydrogen 3.216 N/A PHE 339.A N TRP 326.A O no hydrogen 2.998 N/A ARG 341.A NE ASP 290.A OD1 no hydrogen 2.928 N/A ARG 341.A NH1 THR 154.A OG1 no hydrogen 2.981 N/A ARG 341.A NH2 ASP 290.A OD1 no hydrogen 3.538 N/A ARG 341.A NH2 ASP 290.A OD2 no hydrogen 2.748 N/A VAL 342.A N ILE 338.A O no hydrogen 3.021 N/A ALA 343.A N PHE 339.A O no hydrogen 2.877 N/A TRP 344.A N SER 340.A O no hydrogen 2.994 N/A GLN 345.A N ARG 341.A O no hydrogen 3.002 N/A GLN 345.A NE2 ASP 290.A OD1 no hydrogen 3.205 N/A LEU 346.A N VAL 342.A O no hydrogen 3.058 N/A ARG 347.A N ALA 343.A O no hydrogen 2.931 N/A THR 348.A N TRP 344.A O no hydrogen 2.952 N/A THR 348.A OG1 TRP 344.A O no hydrogen 2.853 N/A ARG 349.A N GLN 345.A O no hydrogen 2.887 N/A ARG 349.A NH1 ASP 294.A OD1 no hydrogen 3.142 N/A ARG 349.A NH1 GLN 345.A OE1 no hydrogen 3.525 N/A ARG 349.A NH2 ASP 294.A OD1 no hydrogen 2.834 N/A SER 350.A N LEU 346.A O no hydrogen 2.924 N/A SER 350.A OG LEU 346.A O no hydrogen 2.649 N/A ASN 353.A N SER 306.A O no hydrogen 3.214 N/A ILE 354.A N ASP 417.A OD2 no hydrogen 2.852 N/A TYR 355.A N VAL 308.A O no hydrogen 2.884 N/A ALA 356.A N GLY 418.A O no hydrogen 2.823 N/A TRP 357.A N LEU 310.A O no hydrogen 2.904 N/A TRP 357.A NE1 HIS 422.A ND1 no hydrogen 2.954 N/A MET 358.A N LEU 420.A O no hydrogen 2.925 N/A VAL 360.A N ASP 424.A OD1 no hydrogen 2.900 N/A LEU 361.A N ASP 424.A OD2 no hydrogen 2.884 N/A SER 362.A N ASP 424.A OD2 no hydrogen 2.774 N/A SER 362.A OG ASP 424.A OD2 no hydrogen 2.839 N/A TRP 363.A N LEU 361.A O no hydrogen 2.819 N/A ASP 364.A N VAL 322.A O no hydrogen 2.830 N/A LEU 365.A N TRP 363.A O no hydrogen 2.851 N/A THR 368.A N ASP 366.A OD1 no hydrogen 2.866 N/A THR 368.A OG1 ASP 366.A OD1 no hydrogen 2.857 N/A THR 368.A OG1 ASP 366.A OD2 no hydrogen 3.228 N/A LEU 369.A N ASP 366.A O no hydrogen 2.979 N/A THR 370.A N ASP 396.A OD2 no hydrogen 3.008 N/A THR 370.A OG1 ASP 396.A OD2 no hydrogen 2.675 N/A ARG 371.A NH1 ASP 366.A O no hydrogen 2.828 N/A ARG 371.A NH1 LEU 369.A O no hydrogen 2.819 N/A ARG 371.A NH2 LEU 365.A O no hydrogen 2.866 N/A VAL 372.A N ARG 391.A O no hydrogen 2.868 N/A LYS 373.A N ASP 432.A OD1 no hydrogen 2.909 N/A TYR 374.A OH GLU 379.A OE2 no hydrogen 3.056 N/A LEU 375.A N TYR 430.A O no hydrogen 2.923 N/A GLY 378.A N LEU 375.A O no hydrogen 2.859 N/A GLU 379.A N PRO 376.A O no hydrogen 3.122 N/A LYS 381.A NZ ASP 429.A OD1 no hydrogen 2.520 N/A ALA 382.A N GLY 378.A O no hydrogen 3.085 N/A GLN 383.A N GLU 379.A O no hydrogen 2.895 N/A HIS 385.A N ALA 382.A O no hydrogen 3.139 N/A GLU 387.A N GLU 387.A OE1 no hydrogen 2.736 N/A GLN 388.A N HIS 385.A O no hydrogen 2.926 N/A TYR 389.A N PRO 386.A O no hydrogen 3.230 N/A ARG 391.A N GLN 388.A O no hydrogen 3.449 N/A ARG 391.A NE GLN 388.A O no hydrogen 2.685 N/A ARG 391.A NH1 LEU 426.A O no hydrogen 2.947 N/A ARG 391.A NH1 GLU 431.A OE1 no hydrogen 2.815 N/A ARG 391.A NH2 GLN 388.A O no hydrogen 3.142 N/A ARG 391.A NH2 GLU 431.A OE1 no hydrogen 3.388 N/A ARG 391.A NH2 GLU 431.A OE2 no hydrogen 2.732 N/A LEU 392.A N LEU 361.A O no hydrogen 2.973 N/A SER 393.A N THR 370.A O no hydrogen 2.827 N/A SER 393.A OG ASP 432.A OD2 no hydrogen 2.631 N/A PHE 395.A N SER 393.A OG no hydrogen 3.178 N/A ASP 396.A N SER 393.A O no hydrogen 3.244 N/A ARG 398.A N ASP 396.A OD1 no hydrogen 2.784 N/A ARG 398.A NH1 THR 368.A OG1 no hydrogen 2.859 N/A VAL 399.A N ASP 396.A OD1 no hydrogen 3.270 N/A ARG 400.A N ASP 396.A O no hydrogen 3.108 N/A ARG 400.A NE GLU 477.A OE1 no hydrogen 3.440 N/A ARG 400.A NE GLU 477.A OE2 no hydrogen 3.372 N/A ARG 400.A NH1 PRO 394.A O no hydrogen 2.840 N/A ARG 400.A NH2 GLU 477.A OE1 no hydrogen 2.937 N/A ALA 401.A N ASP 397.A O no hydrogen 3.007 N/A GLN 402.A N ARG 398.A O no hydrogen 2.867 N/A VAL 403.A N VAL 399.A O no hydrogen 2.889 N/A GLY 404.A N ARG 400.A O no hydrogen 2.927 N/A MET 405.A N ALA 401.A O no hydrogen 2.991 N/A LEU 406.A N GLN 402.A O no hydrogen 3.150 N/A TYR 407.A N VAL 403.A O no hydrogen 3.108 N/A TYR 407.A OH PRO 359.A O no hydrogen 2.708 N/A GLU 408.A N GLY 404.A O no hydrogen 2.847 N/A ASP 409.A N MET 405.A O no hydrogen 2.846 N/A LEU 410.A N LEU 406.A O no hydrogen 3.022 N/A ALA 411.A N TYR 407.A O no hydrogen 2.968 N/A GLY 412.A N GLU 408.A O no hydrogen 2.846 N/A HIS 413.A N LEU 410.A O no hydrogen 3.151 N/A HIS 413.A ND1 ASP 409.A O no hydrogen 2.751 N/A ASP 417.A N ILE 354.A O no hydrogen 2.728 N/A GLY 418.A N ILE 354.A O no hydrogen 3.155 N/A ILE 419.A N LYS 491.A O no hydrogen 2.855 N/A LEU 420.A N ALA 356.A O no hydrogen 2.809 N/A PHE 421.A N ALA 493.A O no hydrogen 2.859 N/A HIS 422.A N MET 358.A O no hydrogen 2.994 N/A LEU 427.A N PHE 510.A O no hydrogen 2.998 N/A SER 428.A N GLU 431.A OE1 no hydrogen 2.876 N/A TYR 430.A N SER 428.A OG no hydrogen 3.026 N/A GLU 431.A N SER 428.A O no hydrogen 3.081 N/A ALA 433.A N LYS 373.A O no hydrogen 2.778 N/A SER 434.A N ASP 432.A OD1 no hydrogen 2.936 N/A SER 434.A OG ASP 432.A OD1 no hydrogen 3.134 N/A SER 434.A OG ASP 432.A OD2 no hydrogen 3.102 N/A ILE 438.A N SER 434.A O no hydrogen 2.964 N/A THR 439.A N ALA 435.A O no hydrogen 3.050 N/A THR 439.A OG1 ALA 435.A O no hydrogen 3.094 N/A ALA 440.A N PRO 436.A O no hydrogen 3.107 N/A TYR 441.A N ALA 437.A O no hydrogen 2.859 N/A TYR 441.A OH ASP 432.A O no hydrogen 2.637 N/A GLN 442.A N ILE 438.A O no hydrogen 2.986 N/A GLN 443.A N THR 439.A O no hydrogen 2.921 N/A ALA 444.A N ALA 440.A O no hydrogen 3.074 N/A ALA 444.A N TYR 441.A O no hydrogen 3.046 N/A GLY 445.A N GLN 442.A O no hydrogen 3.037 N/A PHE 446.A N TYR 441.A O no hydrogen 2.945 N/A GLU 452.A N SER 449.A OG no hydrogen 2.924 N/A ILE 453.A N SER 449.A O no hydrogen 3.095 N/A ARG 454.A N LEU 450.A O no hydrogen 2.998 N/A ARG 454.A NH2 ASP 429.A O no hydrogen 3.030 N/A ARG 454.A NH2 ASP 429.A OD2 no hydrogen 3.066 N/A GLN 455.A N SER 451.A O no hydrogen 3.283 N/A GLN 455.A N GLU 452.A O no hydrogen 2.988 N/A ASN 456.A N ILE 453.A O no hydrogen 3.041 N/A GLN 459.A N ASN 456.A OD1 no hydrogen 3.030 N/A PHE 460.A N ASN 456.A O no hydrogen 2.702 N/A LYS 461.A N PRO 457.A O no hydrogen 2.975 N/A GLN 462.A N GLU 458.A O no hydrogen 3.079 N/A TRP 463.A N GLN 459.A O no hydrogen 2.879 N/A ALA 464.A N PHE 460.A O no hydrogen 2.920 N/A ARG 465.A N LYS 461.A O no hydrogen 3.076 N/A PHE 466.A N GLN 462.A O no hydrogen 2.908 N/A LYS 467.A N TRP 463.A O no hydrogen 2.971 N/A LYS 467.A NZ SER 428.A O no hydrogen 3.090 N/A LYS 467.A NZ GLU 431.A O no hydrogen 2.959 N/A SER 468.A N ALA 464.A O no hydrogen 3.028 N/A SER 468.A OG ALA 464.A O no hydrogen 3.268 N/A SER 468.A OG GLU 507.A OE2 no hydrogen 2.717 N/A ARG 469.A N ARG 465.A O no hydrogen 2.992 N/A ARG 469.A NH1 ASP 516.A OD1 no hydrogen 2.857 N/A ALA 470.A N PHE 466.A O no hydrogen 2.877 N/A LEU 471.A N LYS 467.A O no hydrogen 3.049 N/A THR 472.A N SER 468.A O no hydrogen 3.051 N/A THR 472.A OG1 SER 468.A O no hydrogen 3.231 N/A THR 472.A OG1 ASP 516.A OD2 no hydrogen 2.687 N/A ASP 473.A N ARG 469.A O no hydrogen 2.762 N/A PHE 474.A N ALA 470.A O no hydrogen 3.001 N/A THR 475.A N LEU 471.A O no hydrogen 3.052 N/A THR 475.A OG1 THR 472.A O no hydrogen 2.618 N/A THR 475.A OG1 TYR 521.A OH no hydrogen 2.543 N/A LEU 476.A N THR 472.A O no hydrogen 2.913 N/A GLU 477.A N ASP 473.A O no hydrogen 2.904 N/A LEU 478.A N PHE 474.A O no hydrogen 2.999 N/A SER 479.A N THR 475.A O no hydrogen 2.831 N/A ALA 480.A N LEU 476.A O no hydrogen 2.897 N/A ARG 481.A N GLU 477.A O no hydrogen 3.137 N/A ARG 481.A NH1 GLU 408.A OE2 no hydrogen 2.815 N/A VAL 482.A N LEU 478.A O no hydrogen 3.030 N/A LYS 483.A N SER 479.A O no hydrogen 2.844 N/A ALA 484.A N ALA 480.A O no hydrogen 2.956 N/A ILE 485.A N VAL 482.A O no hydrogen 3.130 N/A ARG 486.A N VAL 482.A O no hydrogen 2.728 N/A ARG 486.A NE ARG 486.A O no hydrogen 3.009 N/A ARG 486.A NH1 VAL 162.A O no hydrogen 2.580 N/A ARG 486.A NH1 ALA 212.A O no hydrogen 2.952 N/A ARG 486.A NH2 ASN 163.A OD1 no hydrogen 3.013 N/A ARG 486.A NH2 ALA 414.A O no hydrogen 2.851 N/A GLY 487.A N LYS 483.A O no hydrogen 2.867 N/A ILE 490.A N GLY 487.A O no hydrogen 3.440 N/A LYS 491.A N ASP 417.A O no hydrogen 2.989 N/A LYS 491.A NZ HIS 489.A O no hydrogen 3.142 N/A THR 492.A N ASP 522.A OD2 no hydrogen 2.811 N/A THR 492.A OG1 ASP 522.A OD2 no hydrogen 3.437 N/A ALA 493.A N ILE 419.A O no hydrogen 2.838 N/A ARG 494.A N TRP 523.A O no hydrogen 3.045 N/A ARG 494.A NH1 THR 472.A OG1 no hydrogen 3.175 N/A ARG 494.A NH1 TYR 521.A OH no hydrogen 2.864 N/A ARG 494.A NH2 ALA 425.A O no hydrogen 2.807 N/A ASN 495.A N PHE 421.A O no hydrogen 3.163 N/A ILE 496.A N ALA 525.A O no hydrogen 2.862 N/A PHE 497.A N GLN 512.A OE1 no hydrogen 2.983 N/A VAL 501.A N ALA 498.A O no hydrogen 2.943 N/A ILE 502.A N ALA 498.A O no hydrogen 3.001 N/A GLN 503.A N LEU 499.A O no hydrogen 2.724 N/A GLN 503.A NE2 GLU 505.A OE2 no hydrogen 2.795 N/A SER 506.A N GLN 503.A O no hydrogen 2.826 N/A SER 506.A OG GLN 503.A O no hydrogen 2.827 N/A GLU 507.A N PRO 504.A O no hydrogen 3.033 N/A ALA 508.A N GLU 505.A O no hydrogen 3.066 N/A TRP 509.A N SER 506.A O no hydrogen 2.947 N/A PHE 510.A N GLU 507.A O no hydrogen 3.243 N/A ALA 511.A N GLU 507.A O no hydrogen 2.867 N/A GLN 512.A NE2 ALA 425.A O no hydrogen 3.093 N/A ASN 513.A ND2 GLU 507.A OE1 no hydrogen 2.766 N/A TYR 514.A OH SER 561.A OG no hydrogen 2.674 N/A ASP 516.A N ASN 513.A OD1 no hydrogen 2.778 N/A PHE 517.A N ASN 513.A O no hydrogen 2.941 N/A LEU 518.A N TYR 514.A O no hydrogen 3.003 N/A LYS 519.A N ALA 515.A O no hydrogen 3.206 N/A SER 520.A N ASP 516.A O no hydrogen 2.969 N/A SER 520.A N PHE 517.A O no hydrogen 3.170 N/A SER 520.A OG ASP 516.A O no hydrogen 2.917 N/A SER 520.A OG ASP 516.A OD1 no hydrogen 3.162 N/A TYR 521.A N PHE 517.A O no hydrogen 2.929 N/A TYR 521.A OH THR 475.A OG1 no hydrogen 2.543 N/A ASP 522.A N THR 492.A OG1 no hydrogen 3.224 N/A TRP 523.A N THR 492.A O no hydrogen 2.962 N/A THR 524.A N LYS 560.A O no hydrogen 2.840 N/A ALA 525.A N ARG 494.A O no hydrogen 3.016 N/A ILE 526.A N ILE 562.A O no hydrogen 2.746 N/A MET 527.A N ILE 496.A O no hydrogen 3.048 N/A ALA 528.A N ILE 526.A O no hydrogen 3.114 N/A ALA 528.A N GLU 564.A O no hydrogen 3.318 N/A TYR 531.A N ALA 528.A O no hydrogen 3.026 N/A LEU 532.A N MET 529.A O no hydrogen 3.005 N/A ALA 540.A N ALA 536.A O no hydrogen 3.448 N/A ASP 541.A N GLU 537.A O no hydrogen 2.942 N/A GLN 542.A N LYS 538.A O no hydrogen 3.387 N/A TRP 543.A N SER 539.A O no hydrogen 3.398 N/A LEU 544.A N ALA 540.A O no hydrogen 2.891 N/A ILE 545.A N ASP 541.A O no hydrogen 2.835 N/A GLN 546.A N GLN 542.A O no hydrogen 2.975 N/A GLN 546.A NE2 GLN 550.A OE1 no hydrogen 3.681 N/A LEU 547.A N TRP 543.A O no hydrogen 2.987 N/A THR 548.A N LEU 544.A O no hydrogen 2.836 N/A THR 548.A OG1 ILE 545.A O no hydrogen 2.822 N/A ASN 549.A N ILE 545.A O no hydrogen 2.844 N/A GLN 550.A N GLN 546.A O no hydrogen 3.215 N/A GLN 550.A NE2 VAL 501.A O no hydrogen 3.175 N/A ILE 551.A N LEU 547.A O no hydrogen 3.218 N/A LYS 552.A N THR 548.A O no hydrogen 2.906 N/A ASN 553.A N ASN 549.A O no hydrogen 3.008 N/A ILE 554.A N ILE 551.A O no hydrogen 3.317 N/A ALA 557.A N ILE 554.A O no hydrogen 2.811 N/A ASP 559.A N GLN 556.A O no hydrogen 3.184 N/A LYS 560.A N ALA 557.A O no hydrogen 3.217 N/A LYS 560.A NZ LEU 518.A O no hydrogen 2.754 N/A LYS 560.A NZ TYR 521.A O no hydrogen 3.063 N/A SER 561.A OG TYR 514.A OH no hydrogen 2.674 N/A SER 561.A OG ALA 557.A O no hydrogen 2.561 N/A ILE 562.A N THR 524.A O no hydrogen 2.780 N/A LEU 563.A N ASN 587.A O no hydrogen 2.907 N/A GLU 564.A N ILE 526.A O no hydrogen 2.941 N/A LEU 565.A N GLY 589.A O no hydrogen 3.076 N/A SER 570.A OG ALA 567.A O no hydrogen 2.717 N/A GLN 571.A N ALA 567.A O no hydrogen 3.050 N/A GLN 572.A N ILE 568.A O no hydrogen 2.941 N/A LEU 573.A N SER 569.A O no hydrogen 2.953 N/A ALA 574.A N SER 570.A O no hydrogen 3.050 N/A HIS 575.A N GLN 571.A O no hydrogen 3.044 N/A HIS 575.A NE2 ASP 541.A OD1 no hydrogen 2.825 N/A HIS 575.A NE2 ASP 541.A OD2 no hydrogen 2.635 N/A TRP 576.A N GLN 572.A O no hydrogen 2.834 N/A MET 577.A N LEU 573.A O no hydrogen 2.769 N/A SER 578.A N ALA 574.A O no hydrogen 3.187 N/A LEU 579.A N HIS 575.A O no hydrogen 3.051 N/A LEU 580.A N TRP 576.A O no hydrogen 2.813 N/A GLN 581.A N MET 577.A O no hydrogen 2.913 N/A LEU 582.A N SER 578.A O no hydrogen 3.000 N/A ASN 583.A N LEU 580.A O no hydrogen 3.027 N/A ASN 583.A ND2 LEU 579.A O no hydrogen 2.715 N/A VAL 585.A N LEU 580.A O no hydrogen 3.001 N/A LYS 586.A NZ LYS 268.A O no hydrogen 2.566 N/A ASN 587.A ND2 SER 561.A O no hydrogen 3.385 N/A TYR 588.A N GLN 271.A O no hydrogen 3.061 N/A TYR 588.A OH VAL 585.A O no hydrogen 2.724 N/A GLY 589.A N LEU 563.A O no hydrogen 2.933 N/A TYR 590.A N ILE 273.A O no hydrogen 2.809 N/A TYR 591.A OH GLU 564.A OE1 no hydrogen 2.769 N/A