Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 ASP 338.A OD1 no hydrogen 2.702 N/A GLY 4.A N THR 337.A O no hydrogen 3.025 N/A ILE 5.A N THR 337.A OG1 no hydrogen 2.912 N/A PHE 6.A N TYR 334.A OH no hydrogen 3.087 N/A SER 7.A N GLY 4.A O no hydrogen 3.076 N/A TYR 8.A OH SER 233.A O no hydrogen 3.334 N/A TYR 8.A OH LYS 249.A O no hydrogen 2.622 N/A LEU 11.A N TYR 8.A O no hydrogen 3.068 N/A ALA 15.A N ASP 12.A OD1 no hydrogen 2.848 N/A SER 16.A N ASP 12.A O no hydrogen 3.081 N/A SER 16.A OG ASP 12.A O no hydrogen 3.388 N/A SER 16.A OG GLU 13.A O no hydrogen 3.092 N/A LYS 17.A N GLU 13.A O no hydrogen 3.073 N/A LYS 17.A NZ LEU 329.A O no hydrogen 3.272 N/A ALA 18.A N ASN 14.A O no hydrogen 3.088 N/A LEU 19.A N ALA 15.A O no hydrogen 2.934 N/A PHE 20.A N SER 16.A O no hydrogen 2.941 N/A SER 21.A N LYS 17.A O no hydrogen 3.033 N/A ASP 22.A N ALA 18.A O no hydrogen 3.110 N/A ALA 23.A N LEU 19.A O no hydrogen 2.887 N/A LEU 24.A N PHE 20.A O no hydrogen 2.944 N/A ALA 25.A N SER 21.A O no hydrogen 3.079 N/A ILE 26.A N ASP 22.A O no hydrogen 3.043 N/A SER 27.A N ALA 23.A O no hydrogen 2.854 N/A THR 28.A N LEU 24.A O no hydrogen 2.978 N/A THR 28.A OG1 LEU 24.A O no hydrogen 2.802 N/A TYR 29.A N ALA 25.A O no hydrogen 3.019 N/A ALA 30.A N ILE 26.A O no hydrogen 3.310 N/A TYR 31.A N THR 28.A O no hydrogen 3.098 N/A TYR 31.A OH HIS 208.A O no hydrogen 3.321 N/A HIS 32.A N TYR 29.A O no hydrogen 2.863 N/A HIS 32.A NE2 GLU 124.A OE2 no hydrogen 2.804 N/A ASN 33.A ND2 SER 78.A O no hydrogen 2.989 N/A ILE 34.A N TYR 31.A O no hydrogen 3.054 N/A ASN 36.A N ASN 33.A O no hydrogen 3.090 N/A GLY 37.A N GLN 66.A O no hydrogen 2.991 N/A ASP 39.A N ASP 35.A O no hydrogen 2.918 N/A GLU 40.A N ASN 36.A O no hydrogen 3.124 N/A GLY 41.A N GLY 37.A O no hydrogen 2.880 N/A TYR 42.A N PHE 38.A O no hydrogen 2.749 N/A TYR 42.A OH ASN 347.A O no hydrogen 2.612 N/A HIS 43.A N ASP 39.A O no hydrogen 3.155 N/A HIS 43.A ND1 ASP 39.A O no hydrogen 2.843 N/A GLN 44.A N GLU 40.A O no hydrogen 2.949 N/A THR 45.A N GLY 41.A O no hydrogen 2.814 N/A THR 45.A OG1 GLY 41.A O no hydrogen 3.015 N/A THR 45.A OG1 THR 54.A OG1 no hydrogen 2.794 N/A GLY 46.A N TYR 42.A O no hydrogen 2.881 N/A LEU 51.A N GLY 48.A O no hydrogen 2.987 N/A THR 54.A N GLY 50.A O no hydrogen 3.097 N/A THR 54.A OG1 GLY 41.A O no hydrogen 3.311 N/A THR 54.A OG1 THR 45.A OG1 no hydrogen 2.794 N/A THR 54.A OG1 GLY 46.A O no hydrogen 2.636 N/A THR 54.A OG1 GLY 50.A O no hydrogen 3.455 N/A LEU 55.A N LEU 51.A O no hydrogen 2.912 N/A ILE 56.A N PRO 52.A O no hydrogen 3.173 N/A THR 57.A N LEU 53.A O no hydrogen 3.062 N/A THR 57.A OG1 LEU 53.A O no hydrogen 3.196 N/A ALA 58.A N THR 54.A O no hydrogen 2.921 N/A LEU 59.A N LEU 55.A O no hydrogen 3.188 N/A LEU 59.A N ILE 56.A O no hydrogen 3.092 N/A ILE 60.A N ILE 56.A O no hydrogen 3.018 N/A GLY 61.A N THR 57.A O no hydrogen 2.818 N/A SER 62.A N SER 65.A O no hydrogen 2.888 N/A SER 62.A OG GLU 40.A OE1 no hydrogen 2.522 N/A SER 62.A OG GLU 40.A OE2 no hydrogen 3.286 N/A GLN 64.A N SER 62.A OG no hydrogen 2.914 N/A SER 65.A OG GLU 40.A OE1 no hydrogen 2.499 N/A GLN 66.A N ASN 36.A OD1 no hydrogen 2.920 N/A GLY 68.A N ALA 58.A O no hydrogen 2.954 N/A LEU 69.A N LEU 59.A O no hydrogen 3.036 N/A ASN 75.A N LEU 72.A O no hydrogen 3.088 N/A ASN 75.A ND2 ILE 60.A O no hydrogen 3.097 N/A ASN 75.A ND2 SER 62.A O no hydrogen 2.887 N/A SER 78.A N GLN 66.A OE1 no hydrogen 3.211 N/A SER 78.A OG GLN 66.A OE1 no hydrogen 2.756 N/A GLN 80.A N ASP 77.A OD1 no hydrogen 3.081 N/A GLN 80.A NE2 GLU 84.A OE2 no hydrogen 2.732 N/A ALA 81.A N ASP 77.A O no hydrogen 3.341 N/A ALA 82.A N SER 78.A O no hydrogen 2.988 N/A GLN 83.A N GLU 79.A O no hydrogen 3.059 N/A GLU 84.A N GLN 80.A O no hydrogen 2.942 N/A ALA 85.A N ALA 81.A O no hydrogen 3.079 N/A VAL 86.A N ALA 82.A O no hydrogen 3.193 N/A ASN 87.A N GLN 83.A O no hydrogen 2.914 N/A ASN 87.A ND2 TRP 91.A O no hydrogen 2.722 N/A ASN 88.A N GLU 84.A O no hydrogen 2.806 N/A ALA 89.A N ALA 85.A O no hydrogen 3.122 N/A GLY 90.A N ASN 87.A O no hydrogen 2.940 N/A TRP 91.A N VAL 86.A O no hydrogen 3.090 N/A TRP 91.A NE1 ASP 22.A OD1 no hydrogen 3.050 N/A SER 92.A N GLY 127.A O no hydrogen 3.084 N/A ILE 94.A N VAL 125.A O no hydrogen 2.870 N/A SER 95.A N GLN 98.A OE1 no hydrogen 3.157 N/A SER 95.A OG GLN 98.A OE1 no hydrogen 3.568 N/A GLN 98.A N SER 95.A OG no hydrogen 3.176 N/A LEU 99.A N SER 95.A O no hydrogen 3.177 N/A GLY 100.A N THR 97.A O no hydrogen 3.166 N/A TYR 101.A N ALA 96.A O no hydrogen 2.886 N/A TYR 101.A OH GLU 114.A OE2 no hydrogen 2.890 N/A ASP 106.A N THR 110.A O no hydrogen 3.067 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 2.963 N/A ARG 108.A NH1 GLU 150.A OE1 no hydrogen 3.170 N/A ARG 108.A NH2 GLU 150.A OE2 no hydrogen 3.196 N/A GLY 109.A N ASP 106.A O no hydrogen 2.887 N/A THR 110.A N ASP 106.A OD1 no hydrogen 3.063 N/A THR 110.A OG1 GLU 124.A OE2 no hydrogen 2.700 N/A TYR 111.A N ALA 123.A O no hydrogen 2.884 N/A TYR 111.A OH ILE 94.A O no hydrogen 2.781 N/A TYR 112.A N LYS 104.A O no hydrogen 3.088 N/A TYR 112.A OH ASP 106.A OD2 no hydrogen 2.635 N/A GLY 113.A N ALA 121.A O no hydrogen 3.042 N/A GLU 114.A N ALA 181.A O no hydrogen 2.812 N/A THR 115.A OG1 LYS 180.A O no hydrogen 2.714 N/A TYR 118.A N THR 115.A O no hydrogen 2.773 N/A THR 120.A OG1 ASP 155.A O no hydrogen 3.465 N/A THR 120.A OG1 ASP 159.A OD1 no hydrogen 2.880 N/A ALA 121.A N TYR 118.A O no hydrogen 3.116 N/A GLN 122.A NE2 ASP 155.A OD1 no hydrogen 2.882 N/A ALA 123.A N TYR 111.A O no hydrogen 2.948 N/A GLU 124.A N SER 141.A O no hydrogen 2.829 N/A LEU 126.A N GLY 139.A O no hydrogen 2.810 N/A GLY 127.A N SER 92.A O no hydrogen 2.871 N/A LYS 128.A N ALA 137.A O no hydrogen 2.949 N/A LYS 128.A NZ ASP 22.A OD1 no hydrogen 3.002 N/A LYS 128.A NZ ALA 89.A O no hydrogen 3.541 N/A ASP 130.A N ASN 134.A O no hydrogen 2.882 N/A GLU 132.A N ASP 130.A OD1 no hydrogen 2.778 N/A GLY 133.A N ASP 130.A O no hydrogen 2.990 N/A ASN 134.A N ASP 130.A OD1 no hydrogen 2.834 N/A ASN 134.A ND2 ASP 130.A OD2 no hydrogen 3.178 N/A THR 136.A N LYS 128.A O no hydrogen 2.828 N/A ILE 138.A N ASP 202.A O no hydrogen 3.080 N/A GLY 139.A N LEU 126.A O no hydrogen 2.786 N/A ILE 140.A N VAL 204.A O no hydrogen 2.881 N/A SER 141.A N GLU 124.A O no hydrogen 2.950 N/A SER 141.A OG ILE 26.A O no hydrogen 2.758 N/A PHE 142.A N SER 206.A O no hydrogen 2.975 N/A ARG 143.A N GLN 122.A O no hydrogen 2.938 N/A ARG 143.A NE SER 146.A OG no hydrogen 3.060 N/A ARG 143.A NH2 SER 146.A OG no hydrogen 2.846 N/A THR 145.A OG1 ASP 163.A OD2 no hydrogen 2.679 N/A SER 146.A N ASP 159.A OD2 no hydrogen 2.724 N/A SER 146.A OG THR 145.A O no hydrogen 2.743 N/A ARG 149.A NE GLY 67.A O no hydrogen 2.847 N/A ARG 149.A NH1 HIS 32.A O no hydrogen 3.208 N/A ARG 149.A NH1 GLU 79.A OE2 no hydrogen 3.125 N/A ARG 149.A NH2 ASN 33.A O no hydrogen 2.842 N/A ARG 149.A NH2 GLN 66.A O no hydrogen 3.190 N/A ARG 149.A NH2 GLY 67.A O no hydrogen 3.130 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.747 N/A SER 151.A N PRO 148.A O no hydrogen 3.023 N/A LEU 152.A N ARG 149.A O no hydrogen 3.432 N/A ASP 155.A N SER 151.A O no hydrogen 2.984 N/A THR 156.A N LEU 152.A O no hydrogen 2.956 N/A THR 156.A OG1 LEU 152.A O no hydrogen 2.673 N/A ILE 157.A N ILE 153.A O no hydrogen 3.056 N/A GLY 158.A N GLY 154.A O no hydrogen 3.368 N/A ASP 159.A N ASP 155.A O no hydrogen 3.097 N/A VAL 160.A N THR 156.A O no hydrogen 2.812 N/A ILE 161.A N ILE 157.A O no hydrogen 3.062 N/A ASN 162.A N GLY 158.A O no hydrogen 3.155 N/A ASN 162.A ND2 GLY 117.A O no hydrogen 2.916 N/A ASN 162.A ND2 TYR 173.A OH no hydrogen 2.821 N/A ASP 163.A N ASP 159.A O no hydrogen 2.887 N/A LEU 164.A N VAL 160.A O no hydrogen 2.875 N/A LEU 165.A N ILE 161.A O no hydrogen 3.023 N/A ALA 166.A N ASN 162.A O no hydrogen 3.075 N/A GLY 167.A N ASP 163.A O no hydrogen 3.345 N/A PHE 168.A N LEU 164.A O no hydrogen 2.805 N/A GLY 169.A N LEU 165.A O no hydrogen 2.708 N/A TYR 173.A N PRO 170.A O no hydrogen 3.272 N/A GLY 176.A N GLY 172.A O no hydrogen 2.976 N/A GLY 176.A N TYR 173.A O no hydrogen 2.992 N/A TYR 177.A N ALA 174.A O no hydrogen 3.191 N/A THR 178.A N SER 217.A OG no hydrogen 3.085 N/A THR 178.A OG1 ALA 214.A O no hydrogen 2.739 N/A THR 178.A OG1 SER 217.A OG no hydrogen 3.395 N/A LYS 180.A N GLY 176.A O no hydrogen 3.027 N/A ALA 181.A N TYR 177.A O no hydrogen 2.865 N/A PHE 182.A N THR 178.A O no hydrogen 2.823 N/A GLY 183.A N LEU 179.A O no hydrogen 2.995 N/A ASN 184.A N GLU 114.A OE1 no hydrogen 3.000 N/A LEU 185.A N GLU 114.A OE2 no hydrogen 2.884 N/A LEU 186.A N PHE 182.A O no hydrogen 2.932 N/A GLY 187.A N GLY 183.A O no hydrogen 3.326 N/A ASP 188.A N ASN 184.A O no hydrogen 3.132 N/A VAL 189.A N LEU 185.A O no hydrogen 2.922 N/A ALA 190.A N LEU 186.A O no hydrogen 3.125 N/A LYS 191.A N GLY 187.A O no hydrogen 3.197 N/A PHE 192.A N ASP 188.A O no hydrogen 2.945 N/A ALA 193.A N VAL 189.A O no hydrogen 2.753 N/A GLN 194.A N ALA 190.A O no hydrogen 2.937 N/A ALA 195.A N LYS 191.A O no hydrogen 2.932 N/A HIS 196.A N PHE 192.A O no hydrogen 3.267 N/A HIS 196.A N ALA 193.A O no hydrogen 3.089 N/A HIS 196.A ND1 PHE 192.A O no hydrogen 3.059 N/A GLY 197.A N GLN 194.A O no hydrogen 3.001 N/A LEU 198.A N ALA 193.A O no hydrogen 2.993 N/A SER 199.A N ASP 202.A OD2 no hydrogen 3.015 N/A ASP 202.A N SER 199.A O no hydrogen 2.873 N/A VAL 203.A N GLY 200.A O no hydrogen 3.113 N/A VAL 204.A N ILE 138.A O no hydrogen 2.959 N/A VAL 205.A N ASN 234.A O no hydrogen 2.843 N/A SER 206.A N ILE 140.A O no hydrogen 2.887 N/A SER 206.A OG ALA 23.A O no hydrogen 3.271 N/A SER 206.A OG VAL 236.A O no hydrogen 2.758 N/A SER 209.A N PHE 238.A O no hydrogen 2.912 N/A SER 209.A OG HIS 316.A NE2 no hydrogen 2.728 N/A GLY 211.A N HIS 208.A O no hydrogen 2.932 N/A LEU 213.A N SER 209.A O no hydrogen 2.930 N/A ALA 214.A N LEU 210.A O no hydrogen 3.004 N/A VAL 215.A N GLY 211.A O no hydrogen 3.065 N/A ASN 216.A N GLY 212.A O no hydrogen 3.107 N/A ASN 216.A ND2 GLY 212.A O no hydrogen 2.978 N/A ASN 216.A ND2 ASN 252.A OD1 no hydrogen 2.970 N/A SER 217.A N LEU 213.A O no hydrogen 2.798 N/A SER 217.A OG ALA 174.A O no hydrogen 3.309 N/A SER 217.A OG ASP 175.A O no hydrogen 2.850 N/A MET 218.A N ALA 214.A O no hydrogen 2.933 N/A ALA 219.A N VAL 215.A O no hydrogen 3.088 N/A ALA 220.A N ASN 216.A O no hydrogen 2.894 N/A GLN 221.A N SER 217.A O no hydrogen 3.098 N/A GLN 221.A N MET 218.A O no hydrogen 3.064 N/A GLN 221.A NE2 ASP 175.A O no hydrogen 2.861 N/A SER 222.A N ALA 219.A O no hydrogen 3.146 N/A SER 222.A OG ALA 219.A O no hydrogen 2.780 N/A ASN 225.A N GLN 221.A O no hydrogen 2.973 N/A ASN 225.A ND2 GLN 221.A O no hydrogen 3.145 N/A TRP 226.A NE1 GLY 183.A O no hydrogen 3.028 N/A GLY 228.A N ASN 225.A O no hydrogen 2.953 N/A PHE 229.A N TRP 226.A O no hydrogen 3.045 N/A TYR 230.A OH LEU 186.A O no hydrogen 2.645 N/A ALA 231.A N GLY 228.A O no hydrogen 3.090 N/A SER 233.A N TYR 230.A O no hydrogen 3.053 N/A SER 233.A OG GLY 200.A O no hydrogen 2.760 N/A SER 233.A OG TYR 230.A O no hydrogen 3.425 N/A ASN 234.A N VAL 203.A O no hydrogen 3.005 N/A ASN 234.A ND2 GLU 201.A O no hydrogen 2.988 N/A ASN 234.A ND2 VAL 203.A O no hydrogen 3.032 N/A TYR 235.A N TYR 8.A OH no hydrogen 3.088 N/A TYR 235.A OH TYR 230.A O no hydrogen 2.806 N/A VAL 236.A N VAL 205.A O no hydrogen 2.965 N/A ALA 237.A N ILE 251.A O no hydrogen 2.950 N/A PHE 238.A N GLY 207.A O no hydrogen 2.935 N/A ALA 239.A N ILE 253.A O no hydrogen 2.926 N/A SER 240.A OG THR 242.A O no hydrogen 2.844 N/A THR 242.A N SER 240.A OG no hydrogen 3.097 N/A THR 242.A OG1 SER 240.A OG no hydrogen 3.178 N/A GLN 243.A N GLY 266.A O no hydrogen 2.996 N/A GLN 243.A NE2 LEU 264.A O no hydrogen 2.997 N/A TYR 244.A N ASN 216.A OD1 no hydrogen 2.946 N/A GLY 248.A N GLU 245.A O no hydrogen 3.176 N/A LYS 249.A NZ ASP 223.A OD1 no hydrogen 2.874 N/A LYS 249.A NZ ALA 231.A O no hydrogen 3.003 N/A ILE 251.A N TYR 235.A O no hydrogen 3.079 N/A ASN 252.A N SER 283.A O no hydrogen 2.815 N/A ASN 252.A ND2 ASN 216.A OD1 no hydrogen 3.228 N/A ASN 252.A ND2 SER 283.A OG no hydrogen 2.944 N/A ILE 253.A N ALA 237.A O no hydrogen 2.815 N/A GLY 254.A N THR 285.A OG1 no hydrogen 3.304 N/A TYR 255.A N TYR 321.A OH no hydrogen 3.314 N/A TYR 255.A OH PHE 320.A O no hydrogen 2.821 N/A GLU 256.A N ILE 288.A O no hydrogen 2.748 N/A ASN 257.A ND2 ASN 290.A O no hydrogen 2.994 N/A ASP 258.A N TYR 255.A O no hydrogen 2.988 N/A VAL 260.A N ASP 258.A OD1 no hydrogen 2.986 N/A PHE 261.A N ASP 258.A O no hydrogen 3.119 N/A ARG 262.A N SER 240.A O no hydrogen 2.909 N/A ARG 262.A NH1 ASP 278.A OD1 no hydrogen 3.031 N/A ARG 262.A NH1 ASN 286.A OD1 no hydrogen 3.064 N/A ARG 262.A NH2 ASP 278.A OD1 no hydrogen 2.862 N/A ALA 263.A N VAL 260.A O no hydrogen 3.088 N/A LEU 264.A N PRO 241.A O no hydrogen 2.840 N/A ASP 265.A N SER 268.A O no hydrogen 2.904 N/A GLY 266.A N GLN 243.A OE1 no hydrogen 2.792 N/A SER 268.A N ASP 265.A O no hydrogen 3.024 N/A THR 270.A N SER 273.A OG no hydrogen 2.991 N/A SER 273.A N THR 270.A O no hydrogen 2.906 N/A SER 273.A OG ALA 263.A O no hydrogen 2.685 N/A SER 273.A OG THR 270.A O no hydrogen 3.050 N/A LEU 274.A N LEU 271.A O no hydrogen 3.226 N/A GLY 275.A N PRO 272.A O no hydrogen 2.929 N/A HIS 277.A ND1 PRO 272.A O no hydrogen 3.097 N/A HIS 281.A N ASN 286.A OD1 no hydrogen 2.965 N/A THR 282.A OG1 GLU 245.A OE1 no hydrogen 3.345 N/A SER 283.A N GLU 245.A OE2 no hydrogen 3.097 N/A SER 283.A OG GLU 245.A OE2 no hydrogen 2.809 N/A ALA 284.A N HIS 281.A O no hydrogen 3.179 N/A THR 285.A N ASN 252.A O no hydrogen 3.056 N/A THR 285.A OG1 GLY 254.A O no hydrogen 3.522 N/A ASN 286.A N ASP 340.A OD1 no hydrogen 3.109 N/A ASN 286.A ND2 HIS 281.A O no hydrogen 2.995 N/A ASN 286.A ND2 ASP 340.A OD1 no hydrogen 2.891 N/A ASN 287.A ND2 ASP 340.A O no hydrogen 2.903 N/A VAL 289.A N ILE 343.A O no hydrogen 2.714 N/A ASN 290.A N ASN 257.A OD1 no hydrogen 2.901 N/A ASN 290.A ND2 SER 315.A O no hydrogen 3.144 N/A PHE 291.A N VAL 345.A O no hydrogen 2.890 N/A ASN 292.A ND2 SER 315.A OG no hydrogen 2.882 N/A ASP 293.A N TYR 42.A OH no hydrogen 3.008 N/A TYR 295.A N ASN 292.A OD1 no hydrogen 2.984 N/A ALA 296.A N ASN 292.A O no hydrogen 2.983 N/A SER 297.A N HIS 294.A O no hydrogen 3.173 N/A TRP 300.A N SER 297.A OG no hydrogen 2.946 N/A TRP 300.A NE1 PHE 47.A O no hydrogen 2.913 N/A ASN 301.A N SER 297.A O no hydrogen 3.274 N/A ASN 301.A ND2 HIS 294.A O no hydrogen 2.875 N/A ASN 301.A ND2 SER 297.A O no hydrogen 2.878 N/A LEU 302.A N ALA 299.A O no hydrogen 3.234 N/A LEU 303.A N TRP 300.A O no hydrogen 3.412 N/A SER 306.A OG LEU 274.A O no hydrogen 2.749 N/A LEU 308.A N SER 306.A OG no hydrogen 2.954 N/A ASN 309.A N SER 306.A O no hydrogen 2.973 N/A ASN 309.A ND2 PRO 304.A O no hydrogen 3.000 N/A THR 312.A N ASN 309.A O no hydrogen 2.977 N/A THR 312.A OG1 SER 306.A O no hydrogen 2.994 N/A THR 312.A OG1 ASN 309.A O no hydrogen 2.795 N/A TRP 313.A N ILE 310.A O no hydrogen 2.886 N/A TRP 313.A NE1 ILE 307.A O no hydrogen 2.819 N/A LEU 314.A N PRO 311.A O no hydrogen 3.217 N/A SER 315.A N THR 312.A O no hydrogen 3.451 N/A HIS 316.A N TRP 313.A O no hydrogen 2.922 N/A HIS 316.A ND1 ASP 258.A OD2 no hydrogen 2.760 N/A HIS 316.A NE2 SER 209.A OG no hydrogen 2.728 N/A LEU 317.A N LEU 314.A O no hydrogen 3.343 N/A PHE 319.A N ASP 35.A OD2 no hydrogen 2.909 N/A PHE 320.A N LEU 317.A O no hydrogen 3.080 N/A TYR 321.A OH ASP 258.A OD2 no hydrogen 2.507 N/A GLN 322.A N PRO 318.A O no hydrogen 2.952 N/A ASP 323.A N PHE 319.A O no hydrogen 3.020 N/A GLY 324.A N PHE 320.A O no hydrogen 3.026 N/A LEU 325.A N TYR 321.A O no hydrogen 3.075 N/A MET 326.A N GLN 322.A O no hydrogen 3.298 N/A ARG 327.A N ASP 323.A O no hydrogen 3.345 N/A ARG 327.A NE ASP 323.A OD2 no hydrogen 3.157 N/A ARG 327.A NH1 SER 346.A O no hydrogen 2.937 N/A ARG 327.A NH1 GLY 376.A O no hydrogen 2.855 N/A ARG 327.A NH2 ASP 323.A OD2 no hydrogen 2.849 N/A ARG 327.A NH2 SER 346.A O no hydrogen 3.012 N/A ARG 327.A NH2 ASN 347.A OD1 no hydrogen 2.804 N/A VAL 328.A N GLY 324.A O no hydrogen 3.174 N/A LEU 329.A N LEU 325.A O no hydrogen 2.958 N/A ASN 330.A N MET 326.A O no hydrogen 2.879 N/A SER 331.A N VAL 328.A O no hydrogen 3.103 N/A SER 331.A OG GLU 393.A OE1 no hydrogen 2.649 N/A GLU 332.A N GLU 393.A OE2 no hydrogen 2.876 N/A PHE 333.A N SER 331.A OG no hydrogen 2.986 N/A TYR 334.A N SER 331.A O no hydrogen 3.050 N/A LEU 336.A N PHE 333.A O no hydrogen 2.944 N/A THR 337.A N TYR 334.A O no hydrogen 2.962 N/A THR 337.A OG1 TYR 334.A O no hydrogen 2.712 N/A ASP 338.A N SER 341.A OG no hydrogen 2.771 N/A LYS 339.A NZ HIS 281.A O no hydrogen 3.303 N/A LYS 339.A NZ THR 282.A O no hydrogen 3.280 N/A LYS 339.A NZ ALA 284.A O no hydrogen 2.764 N/A LYS 339.A NZ ASP 340.A OD1 no hydrogen 3.248 N/A LYS 339.A NZ ASP 340.A OD2 no hydrogen 2.892 N/A SER 341.A N ASP 338.A O no hydrogen 2.996 N/A SER 341.A OG ASP 338.A O no hydrogen 3.165 N/A THR 342.A OG1 SER 369.A O no hydrogen 3.392 N/A ILE 343.A N ASN 287.A O no hydrogen 3.035 N/A ILE 344.A N PHE 373.A O no hydrogen 2.827 N/A VAL 345.A N VAL 289.A O no hydrogen 2.977 N/A SER 346.A N ILE 375.A O no hydrogen 2.932 N/A ASN 347.A N PHE 291.A O no hydrogen 2.799 N/A ASN 347.A ND2 ASN 290.A OD1 no hydrogen 2.902 N/A SER 349.A N ASP 293.A OD1 no hydrogen 3.025 N/A SER 349.A OG ASP 293.A OD1 no hydrogen 3.474 N/A SER 349.A OG ASP 293.A OD2 no hydrogen 2.577 N/A ASN 350.A N HIS 43.A O no hydrogen 2.892 N/A VAL 351.A N SER 349.A OG no hydrogen 3.235 N/A THR 352.A N SER 349.A O no hydrogen 3.321 N/A THR 352.A OG1 ASP 293.A OD1 no hydrogen 2.758 N/A THR 352.A OG1 SER 349.A O no hydrogen 3.470 N/A ARG 353.A N SER 349.A O no hydrogen 3.031 N/A ARG 353.A NH1 ASN 350.A OD1 no hydrogen 2.967 N/A ARG 353.A NH2 LEU 348.A O no hydrogen 3.082 N/A ARG 353.A NH2 ASN 350.A OD1 no hydrogen 3.054 N/A ASN 355.A N THR 352.A O no hydrogen 3.083 N/A ASN 355.A ND2 VAL 351.A O no hydrogen 3.231 N/A THR 356.A OG1 THR 352.A O no hydrogen 3.115 N/A THR 356.A OG1 ASN 355.A OD1 no hydrogen 3.037 N/A VAL 358.A N LEU 382.A O no hydrogen 2.847 N/A ASN 362.A ND2 ASN 362.A O no hydrogen 2.831 N/A ASN 362.A ND2 GLU 366.A O no hydrogen 2.948 N/A ARG 363.A N TYR 295.A OH no hydrogen 3.155 N/A ARG 363.A NE TYR 295.A O no hydrogen 2.861 N/A ARG 363.A NH1 ASP 298.A OD1 no hydrogen 3.298 N/A ARG 363.A NH2 TYR 295.A O no hydrogen 3.089 N/A ARG 363.A NH2 ASP 298.A OD1 no hydrogen 3.017 N/A GLU 366.A N ASP 278.A OD2 no hydrogen 2.799 N/A HIS 368.A N ASN 362.A OD1 no hydrogen 2.858 N/A HIS 368.A ND1 ASP 360.A OD1 no hydrogen 2.925 N/A HIS 368.A ND1 ASP 360.A OD2 no hydrogen 2.777 N/A HIS 368.A NE2 GLU 256.A OE1 no hydrogen 3.302 N/A HIS 368.A NE2 GLU 256.A OE2 no hydrogen 2.727 N/A THR 372.A N ASN 389.A O no hydrogen 2.961 N/A PHE 373.A N THR 342.A O no hydrogen 2.956 N/A ILE 374.A N TYR 391.A O no hydrogen 2.882 N/A ILE 375.A N ILE 344.A O no hydrogen 2.873 N/A GLY 376.A N GLU 393.A O no hydrogen 2.708 N/A SER 377.A N ASP 381.A OD2 no hydrogen 2.877 N/A SER 377.A OG ASP 381.A OD1 no hydrogen 2.747 N/A SER 377.A OG ASP 381.A OD2 no hydrogen 3.532 N/A GLY 379.A N SER 377.A OG no hydrogen 2.937 N/A ASP 381.A N ASP 399.A OD1 no hydrogen 2.776 N/A ILE 383.A N ILE 400.A O no hydrogen 2.931 N/A LYS 384.A N VAL 358.A O no hydrogen 2.914 N/A LYS 384.A NZ GLY 385.A O no hydrogen 3.466 N/A GLY 385.A N ARG 402.A O no hydrogen 2.845 N/A GLY 386.A N ASP 390.A OD1 no hydrogen 3.427 N/A ASP 390.A N ASN 408.A OD1 no hydrogen 3.051 N/A TYR 391.A N THR 372.A O no hydrogen 2.778 N/A TYR 391.A OH ALA 615.A OXT no hydrogen 2.607 N/A LEU 392.A N LEU 409.A O no hydrogen 2.886 N/A GLU 393.A N ILE 374.A O no hydrogen 2.897 N/A GLY 394.A N ALA 411.A O no hydrogen 2.931 N/A ARG 395.A NE ASP 378.A OD1 no hydrogen 3.134 N/A ARG 395.A NH2 ASP 378.A OD1 no hydrogen 3.470 N/A ARG 395.A NH2 ASP 378.A OD2 no hydrogen 3.339 N/A ASP 396.A N ASP 378.A OD1 no hydrogen 3.310 N/A ASP 398.A N ASN 380.A OD1 no hydrogen 2.877 N/A ASP 399.A N ASN 417.A OD1 no hydrogen 3.222 N/A ILE 400.A N ASP 381.A O no hydrogen 2.936 N/A PHE 401.A N ILE 418.A O no hydrogen 2.864 N/A ARG 402.A N ILE 383.A O no hydrogen 2.832 N/A ARG 402.A NE ASP 420.A OD2 no hydrogen 2.994 N/A ARG 402.A NH2 ASP 420.A OD2 no hydrogen 3.212 N/A ALA 404.A N GLY 385.A O no hydrogen 3.050 N/A GLY 405.A N ASP 403.A OD2 no hydrogen 2.887 N/A TYR 407.A N ASN 389.A OD1 no hydrogen 2.981 N/A TYR 407.A OH GLY 444.A O no hydrogen 3.394 N/A ASN 408.A N ILE 446.A O no hydrogen 3.024 N/A ASN 408.A ND2 GLY 405.A O no hydrogen 3.181 N/A ASN 408.A ND2 THR 447.A OG1 no hydrogen 3.077 N/A LEU 409.A N ASP 390.A O no hydrogen 2.976 N/A ILE 410.A N LEU 448.A O no hydrogen 2.843 N/A ALA 411.A N LEU 392.A O no hydrogen 2.888 N/A GLY 412.A N ASP 450.A O no hydrogen 2.915 N/A HIS 416.A N ASP 398.A OD1 no hydrogen 2.815 N/A ASN 417.A ND2 GLY 413.A O no hydrogen 3.019 N/A ASN 417.A ND2 LYS 414.A O no hydrogen 3.484 N/A ASN 417.A ND2 ASP 451.A O no hydrogen 2.960 N/A ILE 418.A N ASP 399.A O no hydrogen 2.912 N/A PHE 419.A N THR 454.A O no hydrogen 3.047 N/A ASP 420.A N PHE 401.A O no hydrogen 2.844 N/A THR 421.A N ARG 456.A O no hydrogen 2.895 N/A THR 421.A OG1 GLN 423.A O no hydrogen 3.000 N/A THR 421.A OG1 ARG 456.A O no hydrogen 3.484 N/A GLN 422.A N ASP 420.A OD1 no hydrogen 3.049 N/A GLN 423.A N THR 421.A OG1 no hydrogen 3.310 N/A LEU 425.A N GLU 459.A OE2 no hydrogen 2.879 N/A LYS 426.A NZ ASN 427.A OD1 no hydrogen 2.825 N/A ASN 427.A N ALA 424.A O no hydrogen 3.063 N/A ASN 427.A ND2 GLN 423.A OE1 no hydrogen 3.033 N/A THR 428.A N LEU 425.A O no hydrogen 2.995 N/A GLU 429.A N ARG 440.A O no hydrogen 2.976 N/A ALA 431.A N TYR 438.A O no hydrogen 2.966 N/A ASP 433.A N THR 436.A O no hydrogen 3.071 N/A ASN 435.A N ASP 433.A OD1 no hydrogen 2.847 N/A THR 436.A N ASP 433.A OD1 no hydrogen 2.725 N/A THR 436.A OG1 ASP 450.A OD1 no hydrogen 2.537 N/A LEU 437.A N ALA 449.A O no hydrogen 2.836 N/A TYR 438.A N ALA 431.A O no hydrogen 2.820 N/A TYR 438.A OH ASP 433.A OD2 no hydrogen 3.134 N/A LEU 439.A N THR 447.A O no hydrogen 2.911 N/A ARG 440.A N GLU 429.A O no hydrogen 2.996 N/A ARG 440.A NE GLU 429.A OE2 no hydrogen 2.864 N/A ARG 440.A NH1 THR 526.A OG1 no hydrogen 2.806 N/A ARG 440.A NH2 GLU 429.A OE1 no hydrogen 3.011 N/A ARG 440.A NH2 GLU 429.A OE2 no hydrogen 3.489 N/A ASP 441.A N GLY 445.A O no hydrogen 2.942 N/A LYS 443.A N ASP 441.A OD1 no hydrogen 2.861 N/A GLY 444.A N ASP 441.A O no hydrogen 3.029 N/A GLY 445.A N ASP 441.A OD1 no hydrogen 2.920 N/A THR 447.A N LEU 439.A O no hydrogen 2.816 N/A LEU 448.A N ASN 408.A O no hydrogen 2.994 N/A ALA 449.A N LEU 437.A O no hydrogen 2.884 N/A ASP 450.A N ILE 410.A O no hydrogen 2.839 N/A SER 453.A N ASN 417.A O no hydrogen 2.961 N/A THR 454.A N ASN 417.A O no hydrogen 3.425 N/A THR 454.A OG1 HIS 416.A NE2 no hydrogen 3.112 N/A LEU 455.A N HIS 471.A O no hydrogen 2.890 N/A ARG 456.A N PHE 419.A O no hydrogen 2.799 N/A ARG 456.A NE ASP 470.A OD1 no hydrogen 2.759 N/A ARG 456.A NH2 ASP 470.A OD2 no hydrogen 3.127 N/A SER 457.A N VAL 469.A O no hydrogen 2.939 N/A SER 457.A OG GLU 459.A OE2 no hydrogen 2.646 N/A SER 457.A OG HIS 471.A NE2 no hydrogen 2.955 N/A LYS 458.A N GLN 423.A O no hydrogen 3.063 N/A GLU 459.A N LYS 467.A O no hydrogen 2.887 N/A THR 460.A OG1 PHE 465.A O no hydrogen 3.051 N/A SER 461.A N ILE 464.A O no hydrogen 3.133 N/A LEU 463.A N SER 461.A OG no hydrogen 2.964 N/A ILE 464.A N SER 461.A OG no hydrogen 2.985 N/A LYS 467.A N GLU 459.A O no hydrogen 3.078 N/A VAL 469.A N SER 457.A O no hydrogen 2.954 N/A HIS 471.A N LEU 455.A O no hydrogen 2.831 N/A HIS 471.A NE2 SER 457.A OG no hydrogen 2.955 N/A GLN 472.A N LYS 479.A O no hydrogen 2.714 N/A VAL 473.A N SER 453.A O no hydrogen 2.933 N/A THR 474.A N GLY 477.A O no hydrogen 3.140 N/A THR 474.A OG1 GLY 477.A O no hydrogen 2.682 N/A ALA 476.A N THR 474.A OG1 no hydrogen 3.237 N/A GLY 477.A N THR 474.A O no hydrogen 3.210 N/A LEU 478.A N LYS 485.A O no hydrogen 2.977 N/A LYS 479.A N GLN 472.A O no hydrogen 2.899 N/A SER 480.A N GLY 483.A O no hydrogen 3.059 N/A SER 482.A N SER 480.A OG no hydrogen 3.337 N/A SER 482.A OG SER 480.A OG no hydrogen 3.083 N/A GLY 483.A N SER 480.A O no hydrogen 2.988 N/A LYS 485.A N LEU 478.A O no hydrogen 2.909 N/A TYR 487.A OH THR 474.A O no hydrogen 2.739 N/A ALA 490.A N TRP 507.A O no hydrogen 3.103 N/A GLY 492.A N PHE 509.A O no hydrogen 2.785 N/A GLY 493.A N ASP 497.A OD2 no hydrogen 2.791 N/A ASP 497.A N ASP 515.A OD1 no hydrogen 2.922 N/A LEU 499.A N THR 516.A O no hydrogen 2.822 N/A ALA 501.A N ILE 518.A O no hydrogen 3.068 N/A ARG 502.A N ASP 505.A OD2 no hydrogen 2.677 N/A ARG 502.A NE ASP 505.A OD2 no hydrogen 2.793 N/A ARG 502.A NH2 ASP 505.A OD1 no hydrogen 2.999 N/A ARG 502.A NH2 ASP 505.A OD2 no hydrogen 3.351 N/A ASP 505.A N ARG 502.A O no hydrogen 3.072 N/A ALA 506.A N ALA 488.A O no hydrogen 2.829 N/A TRP 507.A N ALA 488.A O no hydrogen 3.338 N/A LEU 508.A N THR 526.A O no hydrogen 2.981 N/A PHE 509.A N ALA 490.A O no hydrogen 2.888 N/A GLY 510.A N VAL 528.A O no hydrogen 2.956 N/A ASN 511.A ND2 ASP 433.A O no hydrogen 2.915 N/A ASN 511.A ND2 GLY 492.A O no hydrogen 3.006 N/A ASN 514.A N ASP 496.A OD1 no hydrogen 2.875 N/A ASP 515.A N ASP 534.A OD1 no hydrogen 2.888 N/A THR 516.A N ASP 497.A O no hydrogen 2.809 N/A LEU 517.A N ILE 535.A O no hydrogen 2.847 N/A ILE 518.A N LEU 499.A O no hydrogen 2.834 N/A GLY 519.A N LYS 537.A O no hydrogen 3.031 N/A GLY 523.A N HIS 520.A O no hydrogen 2.915 N/A ASN 524.A N ASN 541.A O no hydrogen 2.880 N/A LEU 525.A N ASN 543.A OD1 no hydrogen 3.039 N/A THR 526.A N ALA 506.A O no hydrogen 2.893 N/A PHE 527.A N THR 544.A O no hydrogen 2.814 N/A VAL 528.A N LEU 508.A O no hydrogen 2.902 N/A ASP 533.A N ASN 514.A OD1 no hydrogen 2.948 N/A ASP 534.A N ASP 554.A OD1 no hydrogen 3.096 N/A ILE 535.A N ASP 515.A O no hydrogen 2.817 N/A LEU 536.A N GLN 555.A O no hydrogen 2.868 N/A LYS 537.A N LEU 517.A O no hydrogen 2.830 N/A GLY 538.A N TYR 557.A O no hydrogen 2.793 N/A GLY 542.A N SER 562.A OG no hydrogen 2.867 N/A ASN 543.A N ASP 563.A OD1 no hydrogen 2.984 N/A ASN 543.A ND2 VAL 539.A O no hydrogen 2.811 N/A ASN 543.A ND2 ASP 563.A OD1 no hydrogen 3.555 N/A THR 544.A N LEU 525.A O no hydrogen 2.915 N/A PHE 545.A N LYS 564.A O no hydrogen 2.793 N/A LEU 546.A N PHE 527.A O no hydrogen 2.905 N/A PHE 547.A N VAL 566.A O no hydrogen 2.906 N/A SER 548.A OG ILE 568.A O no hydrogen 2.857 N/A GLY 549.A N ILE 568.A O no hydrogen 3.405 N/A GLY 549.A N GLY 569.A O no hydrogen 3.257 N/A PHE 551.A N SER 595.A OG no hydrogen 2.968 N/A GLY 552.A N SER 595.A OG no hydrogen 3.295 N/A ARG 553.A N ASP 533.A OD1 no hydrogen 2.796 N/A ASP 554.A N GLN 596.A O no hydrogen 2.896 N/A GLN 555.A N ASP 534.A O no hydrogen 2.961 N/A LEU 556.A N THR 598.A O no hydrogen 2.765 N/A TYR 557.A N LEU 536.A O no hydrogen 2.779 N/A TYR 557.A OH GLN 555.A OE1 no hydrogen 3.359 N/A ASN 560.A N ASP 563.A OD2 no hydrogen 3.093 N/A ASN 560.A ND2 GLY 540.A O no hydrogen 3.229 N/A ASN 560.A ND2 ASN 541.A OD1 no hydrogen 3.303 N/A SER 562.A N ASN 560.A OD1 no hydrogen 2.817 N/A SER 562.A OG ASN 560.A OD1 no hydrogen 2.773 N/A ASP 563.A N ASN 560.A O no hydrogen 3.017 N/A LYS 564.A N ASN 543.A O no hydrogen 2.896 N/A LYS 564.A NZ TYR 407.A OH no hydrogen 2.862 N/A LEU 565.A N GLN 611.A O no hydrogen 2.802 N/A VAL 566.A N PHE 545.A O no hydrogen 2.926 N/A PHE 567.A N VAL 613.A O no hydrogen 2.911 N/A ILE 568.A N PHE 547.A O no hydrogen 2.922 N/A GLY 569.A N ALA 615.A O no hydrogen 3.040 N/A SER 574.A OG ASN 576.A O no hydrogen 3.453 N/A SER 574.A OG ASP 579.A OD2 no hydrogen 2.632 N/A ASN 576.A N SER 574.A OG no hydrogen 3.066 N/A ARG 578.A N ASN 576.A OD1 no hydrogen 2.920 N/A ASP 579.A N ASN 576.A O no hydrogen 2.907 N/A TYR 580.A N ILE 577.A O no hydrogen 2.915 N/A TYR 580.A OH SER 574.A O no hydrogen 2.634 N/A ALA 581.A N ARG 578.A O no hydrogen 3.297 N/A THR 582.A N VAL 589.A O no hydrogen 2.956 N/A GLN 583.A NE2 ASN 585.A O no hydrogen 2.962 N/A GLN 583.A NE2 VAL 602.A O no hydrogen 3.027 N/A GLN 584.A N ASP 587.A O no hydrogen 2.741 N/A ASP 587.A N GLN 584.A O no hydrogen 3.083 N/A LEU 588.A N LEU 599.A O no hydrogen 2.979 N/A VAL 589.A N THR 582.A O no hydrogen 2.925 N/A LEU 590.A N VAL 597.A O no hydrogen 2.959 N/A ALA 591.A N TYR 580.A O no hydrogen 3.065 N/A PHE 592.A N SER 595.A O no hydrogen 2.777 N/A HIS 594.A N GLU 571.A OE2 no hydrogen 2.972 N/A SER 595.A N PHE 592.A O no hydrogen 3.102 N/A GLN 596.A N GLY 552.A O no hydrogen 2.898 N/A VAL 597.A N LEU 590.A O no hydrogen 3.001 N/A THR 598.A N ASP 554.A O no hydrogen 3.001 N/A LEU 599.A N LEU 588.A O no hydrogen 2.805 N/A ILE 600.A N LEU 556.A O no hydrogen 3.001 N/A GLY 601.A N ASP 587.A OD1 no hydrogen 3.195 N/A SER 603.A OG ASP 605.A OD2 no hydrogen 2.577 N/A SER 603.A OG HIS 606.A ND1 no hydrogen 2.818 N/A HIS 606.A N SER 603.A O no hydrogen 3.178 N/A ILE 607.A N LEU 604.A O no hydrogen 3.202 N/A SER 608.A N GLN 611.A OE1 no hydrogen 2.944 N/A SER 608.A OG ASP 610.A OD1 no hydrogen 2.526 N/A GLN 611.A N SER 608.A O no hydrogen 3.039 N/A GLN 611.A NE2 ASN 560.A O no hydrogen 3.053 N/A GLN 611.A NE2 ASP 563.A O no hydrogen 3.066 N/A VAL 612.A N THR 609.A O no hydrogen 3.201 N/A VAL 613.A N LEU 565.A O no hydrogen 2.933 N/A ALA 615.A N PHE 567.A O no hydrogen 2.815 N/A