Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qgk_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1 ASP 18.A OD1 no hydrogen 2.908 N/A ARG 5.A NH1 ASP 18.A OD2 no hydrogen 2.863 N/A ARG 5.A NH2 ASP 18.A OD1 no hydrogen 2.802 N/A TYR 8.A N LYS 4.A O no hydrogen 2.937 N/A TYR 8.A OH GLU 41.A OE2 no hydrogen 2.893 N/A VAL 9.A N ARG 5.A O no hydrogen 3.080 N/A ASN 10.A N GLN 6.A O no hydrogen 2.955 N/A THR 11.A N GLU 7.A O no hydrogen 3.062 N/A THR 11.A OG1 GLU 7.A O no hydrogen 2.868 N/A TYR 12.A N TYR 8.A O no hydrogen 2.793 N/A GLY 13.A N VAL 9.A O no hydrogen 2.802 N/A THR 15.A N ASP 18.A OD2 no hydrogen 2.741 N/A THR 15.A OG1 ASP 34.A OD2 no hydrogen 2.727 N/A THR 15.A OG1 TYR 38.A OH no hydrogen 2.597 N/A THR 16.A N THR 15.A OG1 no hydrogen 2.753 N/A GLY 17.A N VAL 31.A O no hydrogen 2.934 N/A ASP 18.A N THR 15.A O no hydrogen 3.090 N/A LYS 19.A NZ GLU 30.A OE1 no hydrogen 3.062 N/A LYS 19.A NZ ASP 390.A O no hydrogen 3.285 N/A VAL 20.A N ALA 29.A O no hydrogen 2.722 N/A ARG 21.A NE THR 25.A O no hydrogen 2.986 N/A ARG 21.A NH2 ASP 26.A OD1 no hydrogen 3.552 N/A LEU 22.A N LEU 27.A O no hydrogen 2.975 N/A GLY 23.A N PRO 433.A O no hydrogen 2.883 N/A THR 25.A N LEU 22.A O no hydrogen 3.120 N/A THR 25.A OG1 LEU 22.A O no hydrogen 2.596 N/A ASP 26.A N ASP 375.A OD1 no hydrogen 2.857 N/A LEU 27.A N THR 25.A OG1 no hydrogen 3.172 N/A TRP 28.A N ASP 392.A OD2 no hydrogen 3.051 N/A ALA 29.A N VAL 20.A O no hydrogen 2.848 N/A GLU 30.A N ASN 393.A OD1 no hydrogen 2.772 N/A VAL 31.A N ASP 18.A O no hydrogen 2.930 N/A GLU 32.A N ILE 80.A O no hydrogen 2.773 N/A TYR 35.A N LYS 82.A O no hydrogen 2.934 N/A THR 36.A N ASP 34.A OD1 no hydrogen 3.184 N/A THR 36.A OG1 VAL 37.A O no hydrogen 3.539 N/A TYR 38.A OH THR 15.A OG1 no hydrogen 2.597 N/A GLY 39.A N GLU 41.A OE1 no hydrogen 2.920 N/A GLY 39.A N GLU 41.A OE2 no hydrogen 3.341 N/A GLU 40.A N VAL 37.A O no hydrogen 2.911 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.981 N/A LYS 43.A N THR 49.A OG1 no hydrogen 3.140 N/A LYS 43.A NZ THR 11.A O no hydrogen 2.957 N/A LYS 43.A NZ GLU 123.A OE2 no hydrogen 2.888 N/A LYS 48.A N GLY 45.A O no hydrogen 3.136 N/A LYS 48.A NZ PHE 44.A O no hydrogen 3.565 N/A THR 49.A N LYS 43.A O no hydrogen 2.894 N/A THR 49.A OG1 GLU 41.A O no hydrogen 3.353 N/A ILE 50.A N LYS 43.A O no hydrogen 3.236 N/A ARG 51.A N THR 49.A O no hydrogen 2.804 N/A ARG 51.A NE LYS 48.A O no hydrogen 2.942 N/A MET 54.A N ARG 51.A O no hydrogen 2.819 N/A GLY 55.A N THR 49.A O no hydrogen 2.892 N/A GLN 56.A N ARG 51.A O no hydrogen 3.259 N/A SER 57.A N VAL 113.A O no hydrogen 2.799 N/A SER 57.A OG SER 59.A O no hydrogen 3.267 N/A SER 57.A OG ASN 100.A OD1 no hydrogen 2.980 N/A SER 57.A OG ASP 102.A OD2 no hydrogen 3.378 N/A ASN 58.A ND2 GLU 52.A OE2 no hydrogen 3.464 N/A SER 59.A N SER 57.A OG no hydrogen 3.096 N/A SER 59.A OG ASP 102.A OD2 no hydrogen 2.790 N/A ASN 63.A N ASP 61.A OD2 no hydrogen 3.089 N/A THR 64.A N ASP 61.A O no hydrogen 3.284 N/A THR 64.A OG1 ASP 61.A O no hydrogen 2.908 N/A LEU 65.A N VAL 112.A O no hydrogen 2.910 N/A ASP 66.A N ILE 87.A O no hydrogen 2.768 N/A LEU 67.A N ILE 87.A O no hydrogen 3.140 N/A VAL 68.A N GLU 118.A O no hydrogen 2.922 N/A ILE 69.A N ILE 85.A O no hydrogen 2.780 N/A THR 70.A N LEU 120.A O no hydrogen 3.035 N/A THR 70.A OG1 LEU 120.A O no hydrogen 3.442 N/A THR 70.A OG1 GLU 123.A OE1 no hydrogen 2.855 N/A ASN 71.A N ASP 84.A OD1 no hydrogen 2.877 N/A ASN 71.A ND2 LEU 42.A O no hydrogen 3.000 N/A ASN 71.A ND2 GLU 123.A OE1 no hydrogen 2.895 N/A ALA 72.A N ALA 83.A O no hydrogen 2.927 N/A LEU 73.A N MET 125.A O no hydrogen 3.150 N/A ILE 74.A N TYR 81.A O no hydrogen 2.861 N/A ILE 75.A N ILE 127.A O no hydrogen 3.121 N/A ASP 76.A N GLY 79.A O no hydrogen 3.202 N/A TYR 77.A OH GLU 421.A OE2 no hydrogen 2.708 N/A THR 78.A N ASP 76.A OD2 no hydrogen 3.498 N/A THR 78.A OG1 ASP 76.A OD2 no hydrogen 2.702 N/A GLY 79.A N ASP 76.A O no hydrogen 2.930 N/A ILE 80.A N GLU 32.A OE1 no hydrogen 2.890 N/A TYR 81.A N ILE 74.A O no hydrogen 3.206 N/A LYS 82.A N HIS 33.A O no hydrogen 2.873 N/A LYS 82.A NZ TYR 12.A O no hydrogen 2.855 N/A LYS 82.A NZ PRO 14.A O no hydrogen 2.832 N/A ALA 83.A N ALA 72.A O no hydrogen 3.006 N/A ASP 84.A N GLY 96.A O no hydrogen 2.816 N/A ILE 85.A N ILE 69.A O no hydrogen 2.907 N/A GLY 86.A N GLY 94.A O no hydrogen 2.838 N/A ILE 87.A N LEU 67.A O no hydrogen 2.864 N/A LYS 88.A N LYS 91.A O no hydrogen 3.053 N/A LYS 88.A NZ THR 64.A O no hydrogen 2.871 N/A ASN 89.A N ASP 66.A OD2 no hydrogen 2.853 N/A LYS 91.A N LYS 88.A O no hydrogen 3.161 N/A ILE 92.A N LYS 424.A O no hydrogen 2.811 N/A HIS 93.A N GLY 86.A O no hydrogen 2.735 N/A HIS 93.A NE2 ASN 63.A OD1 no hydrogen 3.177 N/A GLY 94.A N GLY 86.A O no hydrogen 3.202 N/A ILE 95.A N GLU 422.A OE2 no hydrogen 3.116 N/A GLY 96.A N ASP 84.A O no hydrogen 3.022 N/A LYS 97.A N THR 108.A OG1 no hydrogen 2.971 N/A LYS 97.A NZ GLU 40.A O no hydrogen 2.753 N/A LYS 97.A NZ ALA 98.A O no hydrogen 2.803 N/A ALA 98.A N ASP 84.A OD2 no hydrogen 3.008 N/A GLY 99.A N MET 111.A O no hydrogen 3.138 N/A ASN 100.A N GLN 104.A OE1 no hydrogen 2.927 N/A ASN 100.A ND2 MET 54.A O no hydrogen 2.852 N/A ASP 102.A N ASN 100.A OD1 no hydrogen 3.334 N/A MET 103.A N ASN 100.A O no hydrogen 3.000 N/A GLN 104.A N ASN 100.A O no hydrogen 2.765 N/A GLN 104.A NE2 GLU 40.A OE1 no hydrogen 3.427 N/A ASP 105.A N GLU 40.A OE2 no hydrogen 3.357 N/A THR 108.A N LYS 97.A O no hydrogen 2.815 N/A THR 108.A OG1 LYS 97.A O no hydrogen 3.458 N/A HIS 110.A NE2 GLU 422.A OE2 no hydrogen 3.361 N/A MET 111.A N THR 108.A O no hydrogen 2.973 N/A VAL 113.A N GLY 99.A O no hydrogen 3.190 N/A GLY 114.A N THR 117.A OG1 no hydrogen 2.862 N/A THR 117.A N GLY 114.A O no hydrogen 2.958 N/A THR 117.A OG1 LEU 65.A O no hydrogen 2.656 N/A THR 117.A OG1 GLY 114.A O no hydrogen 3.259 N/A GLU 118.A N ASP 66.A O no hydrogen 2.886 N/A ALA 119.A N GLU 118.A OE2 no hydrogen 3.235 N/A LEU 120.A N VAL 68.A O no hydrogen 2.939 N/A GLY 122.A N THR 70.A O no hydrogen 2.785 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.990 N/A MET 125.A N GLY 122.A O no hydrogen 2.897 N/A ILE 126.A N TRP 431.A O no hydrogen 2.788 N/A ILE 127.A N LEU 73.A O no hydrogen 2.911 N/A THR 128.A N VAL 429.A O no hydrogen 3.061 N/A THR 128.A OG1 ALA 129.A O no hydrogen 3.219 N/A GLY 130.A N ASP 427.A O no hydrogen 3.003 N/A GLY 131.A N GLY 151.A O no hydrogen 2.864 N/A ILE 132.A N TYR 403.A O no hydrogen 2.753 N/A ASP 133.A N THR 154.A O no hydrogen 2.869 N/A THR 136.A N PHE 156.A O no hydrogen 2.896 N/A THR 136.A OG1 ASP 133.A O no hydrogen 3.445 N/A THR 136.A OG1 ASP 133.A OD2 no hydrogen 3.269 N/A HIS 137.A N SER 357.A OG no hydrogen 3.345 N/A HIS 137.A ND1 THR 166.A O no hydrogen 2.904 N/A HIS 137.A NE2 ASP 356.A OD1 no hydrogen 2.720 N/A PHE 138.A N GLY 158.A O no hydrogen 2.653 N/A LEU 139.A N HIS 137.A O no hydrogen 2.802 N/A SER 140.A OG GLN 142.A OE1 no hydrogen 2.645 N/A GLN 142.A N SER 140.A OG no hydrogen 3.358 N/A GLN 143.A N SER 140.A O no hydrogen 3.200 N/A GLN 143.A NE2 HIS 137.A O no hydrogen 3.020 N/A GLN 143.A NE2 SER 140.A O no hydrogen 3.151 N/A THR 146.A OG1 GLN 142.A O no hydrogen 3.496 N/A ALA 147.A N GLN 143.A O no hydrogen 2.828 N/A LEU 148.A N PHE 144.A O no hydrogen 2.937 N/A ALA 149.A N PRO 145.A O no hydrogen 2.912 N/A ASN 150.A N ALA 147.A O no hydrogen 2.892 N/A ASN 150.A ND2 THR 146.A O no hydrogen 2.835 N/A GLY 151.A N LEU 148.A O no hydrogen 3.045 N/A VAL 152.A N ALA 147.A O no hydrogen 3.181 N/A THR 153.A N GLY 131.A O no hydrogen 2.921 N/A THR 154.A N GLY 131.A O no hydrogen 3.235 N/A MET 155.A N ASN 191.A O no hydrogen 2.808 N/A PHE 156.A N ASP 133.A O no hydrogen 2.836 N/A GLY 157.A N GLY 193.A O no hydrogen 3.305 N/A GLY 158.A N THR 136.A O no hydrogen 3.049 N/A GLY 159.A N THR 172.A OG1 no hydrogen 2.915 N/A THR 160.A N THR 166.A OG1 no hydrogen 2.969 N/A VAL 163.A N GLY 161.A O no hydrogen 2.777 N/A ASN 167.A N VAL 163.A O no hydrogen 2.799 N/A ALA 168.A N ASP 164.A O no hydrogen 3.121 N/A ALA 168.A N GLY 165.A O no hydrogen 3.300 N/A THR 169.A N GLY 165.A O no hydrogen 2.749 N/A THR 169.A OG1 GLY 165.A O no hydrogen 2.662 N/A THR 172.A N LEU 195.A O no hydrogen 2.936 N/A THR 172.A OG1 GLY 159.A O no hydrogen 2.877 N/A GLY 174.A N GLN 209.A OE1 no hydrogen 3.126 N/A ASN 177.A ND2 PRO 173.A O no hydrogen 2.632 N/A LEU 178.A N GLY 174.A O no hydrogen 3.088 N/A HIS 179.A N VAL 175.A O no hydrogen 2.948 N/A ARG 180.A N TRP 176.A O no hydrogen 3.051 N/A ARG 180.A NH2 TRP 176.A O no hydrogen 3.545 N/A MET 181.A N ASN 177.A O no hydrogen 3.064 N/A LEU 182.A N LEU 178.A O no hydrogen 2.955 N/A ARG 183.A N HIS 179.A O no hydrogen 3.124 N/A ARG 183.A NE LEU 501.A O no hydrogen 2.945 N/A ALA 184.A N ARG 180.A O no hydrogen 2.902 N/A ALA 185.A N MET 181.A O no hydrogen 2.880 N/A GLU 187.A N ALA 184.A O no hydrogen 3.234 N/A TYR 188.A N ALA 185.A O no hydrogen 3.149 N/A ASN 191.A N THR 153.A O no hydrogen 2.972 N/A ASN 191.A ND2 THR 154.A OG1 no hydrogen 3.184 N/A VAL 192.A N ILE 485.A O no hydrogen 3.023 N/A LEU 195.A N GLY 157.A O no hydrogen 2.880 N/A GLY 196.A N GLY 216.A O no hydrogen 3.150 N/A LYS 197.A N GLN 209.A OE1 no hydrogen 2.848 N/A ASN 199.A ND2 GLY 223.A O no hydrogen 2.716 N/A ASN 199.A ND2 THR 224.A OG1 no hydrogen 3.330 N/A SER 200.A N GLY 198.A O no hydrogen 2.857 N/A SER 200.A OG SER 202.A O no hydrogen 2.800 N/A SER 201.A OG SER 227.A OG no hydrogen 2.823 N/A SER 202.A N SER 200.A OG no hydrogen 3.079 N/A SER 202.A OG GLN 205.A OE1 no hydrogen 2.599 N/A ARG 203.A NE GLU 238.A OE2 no hydrogen 2.959 N/A ARG 203.A NH2 GLU 238.A OE1 no hydrogen 2.693 N/A GLN 205.A N GLN 205.A OE1 no hydrogen 2.877 N/A LEU 206.A N ARG 203.A O no hydrogen 2.895 N/A VAL 207.A N ARG 203.A O no hydrogen 3.024 N/A GLU 208.A N ALA 204.A O no hydrogen 3.018 N/A GLN 209.A N LEU 206.A O no hydrogen 3.122 N/A GLN 209.A NE2 LYS 197.A O no hydrogen 2.940 N/A GLN 209.A NE2 GLN 205.A O no hydrogen 3.034 N/A VAL 210.A N LEU 206.A O no hydrogen 3.399 N/A LYS 211.A N VAL 207.A O no hydrogen 3.034 N/A ALA 212.A N GLN 209.A O no hydrogen 3.152 N/A GLY 213.A N VAL 210.A O no hydrogen 3.082 N/A ALA 214.A N GLN 209.A O no hydrogen 3.226 N/A ILE 215.A N LEU 194.A O no hydrogen 2.749 N/A PHE 217.A N GLN 242.A O no hydrogen 2.916 N/A HIS 219.A N ASN 199.A OD1 no hydrogen 2.727 N/A ASP 221.A N HIS 219.A ND1 no hydrogen 3.016 N/A TRP 222.A N HIS 219.A O no hydrogen 3.017 N/A GLY 223.A N GLU 220.A O no hydrogen 2.895 N/A THR 224.A OG1 HIS 246.A O no hydrogen 3.240 N/A SER 227.A OG SER 201.A OG no hydrogen 2.823 N/A ALA 228.A N THR 225.A OG1 no hydrogen 3.279 N/A ILE 229.A N THR 225.A O no hydrogen 2.976 N/A ASP 230.A N PRO 226.A O no hydrogen 3.049 N/A HIS 231.A N SER 227.A O no hydrogen 3.039 N/A HIS 231.A ND1 SER 227.A O no hydrogen 2.935 N/A CYS 232.A N ALA 228.A O no hydrogen 2.931 N/A LEU 233.A N ILE 229.A O no hydrogen 3.135 N/A SER 234.A N ASP 230.A O no hydrogen 2.983 N/A SER 234.A OG ASP 230.A O no hydrogen 2.812 N/A VAL 235.A N HIS 231.A O no hydrogen 3.305 N/A ALA 236.A N CYS 232.A O no hydrogen 3.021 N/A ASP 237.A N LEU 233.A O no hydrogen 2.870 N/A GLU 238.A N SER 234.A O no hydrogen 3.204 N/A TYR 239.A N VAL 235.A O no hydrogen 2.923 N/A VAL 241.A N ALA 236.A O no hydrogen 3.188 N/A GLN 242.A N ILE 215.A O no hydrogen 3.374 N/A GLN 242.A NE2 THR 410.A O no hydrogen 2.876 N/A GLN 242.A NE2 CYS 513.A O no hydrogen 2.932 N/A VAL 243.A N GLN 242.A OE1 no hydrogen 2.877 N/A CYS 244.A N PHE 217.A O no hydrogen 2.884 N/A CYS 244.A SG HIS 269.A ND1 no hydrogen 3.959 N/A CYS 244.A SG TYR 271.A OH no hydrogen 3.456 N/A ILE 245.A N HIS 269.A O no hydrogen 2.843 N/A HIS 246.A N LEU 218.A O no hydrogen 2.935 N/A HIS 246.A NE2 GLU 220.A OE2 no hydrogen 2.711 N/A THR 249.A N GLU 220.A OE1 no hydrogen 3.163 N/A THR 249.A OG1 GLU 220.A OE1 no hydrogen 3.441 N/A THR 249.A OG1 GLU 220.A OE2 no hydrogen 2.671 N/A ASN 251.A N ASP 248.A O no hydrogen 3.034 N/A ASN 251.A ND2 SER 281.A O no hydrogen 3.067 N/A GLU 252.A N ASP 248.A OD1 no hydrogen 3.471 N/A ALA 253.A N ASP 248.A OD2 no hydrogen 3.016 N/A TYR 255.A N ASP 258.A OD2 no hydrogen 2.806 N/A ASP 258.A N TYR 255.A O no hydrogen 3.006 N/A THR 259.A N TYR 255.A O no hydrogen 3.350 N/A THR 259.A OG1 HIS 280.A NE2 no hydrogen 2.680 N/A LEU 260.A N VAL 256.A O no hydrogen 2.923 N/A ARG 261.A N ASP 257.A O no hydrogen 2.949 N/A ARG 261.A NH1 ASP 257.A OD2 no hydrogen 3.493 N/A ARG 261.A NH2 ASP 257.A OD2 no hydrogen 3.112 N/A ALA 262.A N ASP 258.A O no hydrogen 3.137 N/A MET 263.A N THR 259.A O no hydrogen 3.066 N/A ASN 264.A N LEU 260.A O no hydrogen 3.337 N/A ARG 266.A N MET 263.A O no hydrogen 3.307 N/A ARG 266.A NE MET 263.A O no hydrogen 2.744 N/A ARG 266.A NH1 ASP 230.A O no hydrogen 3.563 N/A ARG 266.A NH1 ASP 230.A OD1 no hydrogen 3.484 N/A ARG 266.A NH1 SER 234.A OG no hydrogen 3.265 N/A ARG 266.A NH2 ASP 230.A OD1 no hydrogen 2.869 N/A ARG 266.A NH2 ALA 262.A O no hydrogen 3.003 N/A ARG 266.A NH2 MET 263.A O no hydrogen 3.510 N/A HIS 269.A N VAL 243.A O no hydrogen 2.704 N/A HIS 269.A ND1 HIS 411.A NE2 no hydrogen 3.055 N/A HIS 269.A NE2 SER 296.A OG no hydrogen 2.815 N/A ALA 270.A N LEU 294.A O no hydrogen 2.941 N/A TYR 271.A N ILE 245.A O no hydrogen 3.298 N/A TYR 271.A OH SER 134.A O no hydrogen 2.608 N/A HIS 272.A ND1 HIS 272.A O no hydrogen 3.114 N/A ILE 273.A N SER 296.A O no hydrogen 3.191 N/A GLY 275.A N HIS 272.A O no hydrogen 2.978 N/A ALA 276.A N GLU 274.A OE1 no hydrogen 2.895 N/A GLY 278.A N GLY 275.A O no hydrogen 3.206 N/A GLY 279.A N THR 249.A OG1 no hydrogen 2.783 N/A HIS 280.A N THR 247.A OG1 no hydrogen 3.326 N/A HIS 280.A ND1 ASN 251.A OD1 no hydrogen 2.761 N/A HIS 280.A NE2 THR 259.A OG1 no hydrogen 2.680 N/A SER 281.A N THR 249.A O no hydrogen 3.129 N/A VAL 284.A N HIS 280.A O no hydrogen 3.052 N/A THR 286.A N ASP 283.A O no hydrogen 3.139 N/A THR 286.A OG1 ASP 283.A O no hydrogen 2.638 N/A MET 287.A N VAL 284.A O no hydrogen 3.017 N/A ALA 288.A N ILE 285.A O no hydrogen 3.077 N/A GLU 290.A N MET 287.A O no hydrogen 3.087 N/A ASN 292.A ND2 ARG 266.A O no hydrogen 2.889 N/A LEU 294.A N ILE 268.A O no hydrogen 2.989 N/A SER 296.A N ALA 270.A O no hydrogen 3.052 N/A SER 296.A OG HIS 269.A NE2 no hydrogen 2.815 N/A SER 296.A OG ALA 270.A O no hydrogen 3.449 N/A SER 297.A N MET 352.A O no hydrogen 3.027 N/A SER 297.A OG GLU 341.A OE2 no hydrogen 3.149 N/A SER 297.A OG HIS 345.A NE2 no hydrogen 2.825 N/A THR 299.A N SER 354.A O no hydrogen 3.083 N/A THR 299.A OG1 SER 355.A O no hydrogen 3.258 N/A THR 301.A OG1 THR 298.A O no hydrogen 3.493 N/A THR 301.A OG1 GLU 341.A OE1 no hydrogen 3.530 N/A THR 301.A OG1 GLU 341.A OE2 no hydrogen 2.906 N/A ILE 302.A N THR 299.A O no hydrogen 3.290 N/A TYR 304.A N ASP 342.A OD2 no hydrogen 2.730 N/A THR 305.A N THR 308.A OG1 no hydrogen 2.983 N/A THR 305.A OG1 THR 308.A OG1 no hydrogen 3.199 N/A ILE 306.A N ALA 551.A O no hydrogen 3.020 N/A ASN 307.A N THR 305.A OG1 no hydrogen 3.331 N/A THR 308.A N THR 305.A O no hydrogen 3.087 N/A THR 308.A OG1 THR 305.A O no hydrogen 3.466 N/A THR 308.A OG1 THR 305.A OG1 no hydrogen 3.199 N/A GLU 311.A N ASN 307.A O no hydrogen 3.067 N/A HIS 312.A N THR 308.A O no hydrogen 3.311 N/A LEU 313.A N VAL 309.A O no hydrogen 3.179 N/A MET 315.A N GLU 311.A O no hydrogen 3.023 N/A LEU 316.A N HIS 312.A O no hydrogen 3.084 N/A MET 317.A N ASP 314.A O no hydrogen 2.990 N/A THR 318.A N ASP 314.A O no hydrogen 3.276 N/A THR 318.A OG1 ASP 314.A O no hydrogen 3.439 N/A CYS 319.A N MET 315.A O no hydrogen 3.381 N/A HIS 320.A N LEU 316.A O no hydrogen 3.151 N/A LEU 322.A N MET 317.A O no hydrogen 3.126 N/A ILE 326.A N ASP 323.A O no hydrogen 3.316 N/A ARG 332.A N SER 329.A O no hydrogen 3.187 N/A ILE 333.A N SER 329.A O no hydrogen 3.077 N/A ARG 334.A N GLN 330.A O no hydrogen 3.003 N/A ARG 334.A NE GLN 330.A OE1 no hydrogen 2.726 N/A SER 337.A OG GLU 274.A OE2 no hydrogen 2.832 N/A SER 337.A OG ILE 333.A O no hydrogen 3.487 N/A SER 337.A OG ARG 334.A O no hydrogen 3.362 N/A ILE 338.A N ARG 334.A O no hydrogen 2.977 N/A ALA 339.A N PRO 335.A O no hydrogen 3.078 N/A ALA 340.A N GLY 336.A O no hydrogen 3.311 N/A GLU 341.A N SER 337.A O no hydrogen 3.041 N/A ASP 342.A N ALA 339.A O no hydrogen 3.309 N/A THR 343.A OG1 THR 547.A O no hydrogen 2.432 N/A LEU 344.A N ALA 340.A O no hydrogen 2.858 N/A HIS 345.A N GLU 341.A O no hydrogen 3.122 N/A HIS 345.A NE2 SER 297.A OG no hydrogen 2.825 N/A ASP 346.A N ASP 342.A O no hydrogen 3.278 N/A MET 347.A N THR 343.A O no hydrogen 2.886 N/A GLY 348.A N HIS 345.A O no hydrogen 3.119 N/A VAL 349.A N LEU 344.A O no hydrogen 2.793 N/A ILE 350.A N LEU 344.A O no hydrogen 3.345 N/A ALA 351.A N PRO 295.A O no hydrogen 3.143 N/A MET 352.A N PRO 295.A O no hydrogen 3.220 N/A THR 353.A N LYS 402.A O no hydrogen 3.042 N/A THR 353.A OG1 THR 370.A OG1 no hydrogen 2.795 N/A SER 354.A N SER 297.A O no hydrogen 2.679 N/A SER 354.A OG SER 297.A O no hydrogen 2.987 N/A SER 355.A N ASP 133.A OD1 no hydrogen 3.014 N/A SER 355.A OG ASP 133.A OD1 no hydrogen 2.971 N/A SER 355.A OG ASP 133.A OD2 no hydrogen 2.535 N/A SER 355.A OG HIS 135.A O no hydrogen 3.238 N/A ASP 356.A N HIS 135.A O no hydrogen 3.041 N/A SER 357.A N SER 355.A OG no hydrogen 3.400 N/A SER 357.A OG GLN 143.A OE1 no hydrogen 3.378 N/A GLN 358.A N GLY 361.A O no hydrogen 2.873 N/A ALA 359.A N ASP 356.A O no hydrogen 2.878 N/A ARG 362.A N THR 299.A OG1 no hydrogen 3.105 N/A ARG 369.A N GLU 365.A O no hydrogen 3.014 N/A ARG 369.A NE GLU 365.A OE1 no hydrogen 2.806 N/A ARG 369.A NH2 ILE 302.A O no hydrogen 3.032 N/A THR 370.A N VAL 366.A O no hydrogen 3.147 N/A THR 370.A N ILE 367.A O no hydrogen 3.186 N/A THR 370.A OG1 THR 353.A OG1 no hydrogen 2.795 N/A THR 370.A OG1 VAL 366.A O no hydrogen 2.640 N/A TRP 371.A N ILE 367.A O no hydrogen 3.293 N/A TRP 371.A NE1 TYR 403.A OH no hydrogen 2.878 N/A GLN 372.A N PRO 368.A O no hydrogen 2.843 N/A GLN 372.A NE2 ALA 555.A O no hydrogen 3.205 N/A GLN 372.A NE2 LEU 556.A O no hydrogen 3.109 N/A THR 373.A N ARG 369.A O no hydrogen 3.115 N/A THR 373.A OG1 ARG 369.A O no hydrogen 2.794 N/A ALA 374.A N THR 370.A O no hydrogen 3.010 N/A ASP 375.A N TRP 371.A O no hydrogen 2.949 N/A LYS 376.A N GLN 372.A O no hydrogen 2.845 N/A LYS 376.A NZ GLU 380.A OE1 no hydrogen 3.191 N/A ASN 377.A N THR 373.A O no hydrogen 3.010 N/A ASN 377.A ND2 ASP 342.A O no hydrogen 3.134 N/A ASN 377.A ND2 TYR 399.A OH no hydrogen 2.868 N/A LYS 378.A N ALA 374.A O no hydrogen 3.047 N/A LYS 378.A NZ ASP 26.A O no hydrogen 2.686 N/A LYS 378.A NZ ASP 26.A OD2 no hydrogen 3.218 N/A LYS 378.A NZ ASP 392.A OD2 no hydrogen 3.097 N/A LYS 379.A N ASP 375.A O no hydrogen 2.884 N/A LYS 379.A NZ ASP 375.A OD1 no hydrogen 3.320 N/A LYS 379.A NZ ASP 375.A OD2 no hydrogen 2.841 N/A GLU 380.A N LYS 376.A O no hydrogen 2.943 N/A GLU 380.A N ASN 377.A O no hydrogen 3.003 N/A PHE 381.A N ASN 377.A O no hydrogen 2.670 N/A GLY 382.A N LYS 378.A O no hydrogen 2.804 N/A ARG 383.A NE ASP 392.A OD1 no hydrogen 2.969 N/A ARG 383.A NH1 ASP 390.A OD1 no hydrogen 2.891 N/A ARG 383.A NH2 ASP 392.A OD2 no hydrogen 3.009 N/A GLU 386.A N GLU 386.A OE1 no hydrogen 2.954 N/A GLU 387.A N LEU 384.A O no hydrogen 3.178 N/A ASN 391.A N GLY 389.A O no hydrogen 2.927 N/A ASN 391.A ND2 GLU 30.A OE1 no hydrogen 2.791 N/A ASN 391.A ND2 LYS 388.A O no hydrogen 3.321 N/A ASP 392.A N TRP 28.A O no hydrogen 2.854 N/A ASN 393.A N ASN 391.A OD1 no hydrogen 3.373 N/A ASN 393.A ND2 GLU 30.A O no hydrogen 2.867 N/A ASN 393.A ND2 GLU 32.A OE2 no hydrogen 3.084 N/A PHE 394.A N GLU 387.A OE1 no hydrogen 2.716 N/A ARG 395.A N GLU 387.A OE2 no hydrogen 2.703 N/A ARG 395.A NE ASP 346.A OD1 no hydrogen 2.883 N/A ARG 395.A NH1 GLY 382.A O no hydrogen 3.023 N/A ARG 395.A NH2 ASP 346.A OD1 no hydrogen 3.458 N/A ARG 395.A NH2 ASP 346.A OD2 no hydrogen 2.657 N/A ARG 395.A NH2 GLY 382.A O no hydrogen 3.056 N/A ILE 396.A N ASP 392.A O no hydrogen 2.867 N/A LYS 397.A N ASN 393.A O no hydrogen 2.945 N/A LYS 397.A NZ GLU 32.A OE1 no hydrogen 3.471 N/A LYS 397.A NZ GLU 32.A OE2 no hydrogen 2.776 N/A ARG 398.A N PHE 394.A O no hydrogen 2.879 N/A ARG 398.A NE PHE 523.A O no hydrogen 2.677 N/A ARG 398.A NH1 ASP 346.A O no hydrogen 2.885 N/A ARG 398.A NH2 PHE 523.A O no hydrogen 3.156 N/A TYR 399.A N ARG 395.A O no hydrogen 2.916 N/A TYR 399.A OH ASP 346.A OD1 no hydrogen 2.841 N/A ILE 400.A N ILE 396.A O no hydrogen 2.783 N/A SER 401.A N LYS 397.A O no hydrogen 3.295 N/A SER 401.A OG LYS 397.A O no hydrogen 2.698 N/A SER 401.A OG LYS 522.A O no hydrogen 3.445 N/A LYS 402.A N TYR 399.A O no hydrogen 3.078 N/A LYS 402.A NZ HIS 345.A ND1 no hydrogen 2.981 N/A LYS 402.A NZ HIS 345.A O no hydrogen 2.981 N/A LYS 402.A NZ ILE 350.A O no hydrogen 2.772 N/A LYS 402.A NZ ASN 524.A OD1 no hydrogen 2.828 N/A TYR 403.A N ILE 400.A O no hydrogen 3.316 N/A THR 404.A N ILE 400.A O no hydrogen 3.233 N/A THR 404.A OG1 ILE 400.A O no hydrogen 2.782 N/A ILE 405.A N THR 404.A OG1 no hydrogen 2.742 N/A ASN 406.A N SER 401.A O no hydrogen 2.971 N/A ASN 406.A ND2 ALA 351.A O no hydrogen 3.020 N/A ASN 406.A ND2 LYS 522.A O no hydrogen 3.301 N/A ILE 409.A N ILE 405.A O no hydrogen 2.920 N/A THR 410.A N ASN 406.A O no hydrogen 3.094 N/A THR 410.A OG1 ASN 406.A O no hydrogen 2.914 N/A HIS 411.A N PRO 407.A O no hydrogen 3.042 N/A HIS 411.A NE2 HIS 269.A ND1 no hydrogen 3.055 N/A GLY 412.A N ILE 409.A O no hydrogen 3.458 N/A VAL 413.A N ALA 408.A O no hydrogen 3.006 N/A TYR 416.A N VAL 413.A O no hydrogen 3.044 N/A TYR 416.A OH PRO 509.A O no hydrogen 3.039 N/A ILE 417.A N VAL 413.A O no hydrogen 3.030 N/A SER 419.A OG GLU 421.A OE2 no hydrogen 2.575 N/A VAL 420.A N ASP 76.A OD1 no hydrogen 3.220 N/A VAL 420.A N ASP 76.A OD2 no hydrogen 3.367 N/A GLU 421.A N SER 419.A O no hydrogen 3.143 N/A GLY 423.A N ILE 92.A O no hydrogen 2.814 N/A LYS 424.A N GLU 421.A O no hydrogen 3.195 N/A LYS 424.A NZ SER 414.A O no hydrogen 2.764 N/A LYS 424.A NZ ILE 417.A O no hydrogen 3.036 N/A LYS 424.A NZ SER 419.A OG no hydrogen 2.798 N/A ILE 425.A N TYR 416.A O no hydrogen 2.796 N/A ALA 426.A N GLY 90.A O no hydrogen 3.092 N/A ASP 427.A N ILE 425.A O no hydrogen 2.980 N/A LEU 428.A N ILE 444.A O no hydrogen 2.886 N/A VAL 429.A N THR 128.A O no hydrogen 2.813 N/A VAL 430.A N ILE 442.A O no hydrogen 2.874 N/A TRP 431.A N ILE 126.A O no hydrogen 2.747 N/A TRP 431.A NE1 THR 128.A OG1 no hydrogen 3.100 N/A ALA 434.A N ASN 432.A OD1 no hydrogen 3.245 N/A PHE 435.A N ASN 432.A O no hydrogen 2.733 N/A PHE 436.A N PRO 433.A O no hydrogen 3.262 N/A VAL 438.A N PHE 435.A O no hydrogen 3.076 N/A LYS 439.A N PHE 435.A O no hydrogen 2.987 N/A LYS 439.A NZ TYR 560.A O no hydrogen 2.827 N/A LYS 441.A N VAL 430.A O no hydrogen 2.848 N/A ILE 442.A N VAL 430.A O no hydrogen 3.438 N/A ILE 443.A N PHE 451.A O no hydrogen 2.821 N/A ILE 444.A N LEU 428.A O no hydrogen 2.848 N/A LYS 445.A N MET 448.A O no hydrogen 2.868 N/A LYS 445.A NZ GLY 189.A O no hydrogen 2.965 N/A LYS 445.A NZ ASN 191.A OD1 no hydrogen 2.814 N/A LYS 445.A NZ THR 483.A O no hydrogen 2.908 N/A GLY 446.A N ASP 427.A OD1 no hydrogen 3.150 N/A GLY 447.A N ALA 426.A O no hydrogen 3.178 N/A MET 448.A N LYS 445.A O no hydrogen 3.195 N/A VAL 450.A N ILE 443.A O no hydrogen 2.917 N/A PHE 451.A N ILE 443.A O no hydrogen 3.474 N/A SER 452.A N ARG 470.A O no hydrogen 3.169 N/A SER 452.A OG GLU 453.A O no hydrogen 3.215 N/A GLU 453.A N LYS 441.A O no hydrogen 3.065 N/A MET 454.A N TYR 468.A O no hydrogen 2.903 N/A GLY 455.A N PRO 462.A O no hydrogen 3.076 N/A ASP 456.A N PRO 464.A O no hydrogen 3.053 N/A VAL 467.A N GLN 465.A OE1 no hydrogen 3.047 N/A TYR 468.A N MET 454.A O no hydrogen 2.963 N/A TYR 469.A OH PRO 440.A O no hydrogen 2.630 N/A ARG 470.A N SER 452.A O no hydrogen 3.000 N/A ARG 470.A NE MET 454.A O no hydrogen 2.976 N/A ARG 470.A NH2 MET 454.A O no hydrogen 2.956 N/A MET 472.A N VAL 450.A O no hydrogen 2.749 N/A GLY 474.A N VAL 449.A O no hydrogen 3.115 N/A HIS 475.A N MET 472.A O no hydrogen 3.055 N/A HIS 476.A N PHE 473.A O no hydrogen 3.106 N/A HIS 476.A NE2 GLU 471.A OE1 no hydrogen 2.987 N/A LYS 480.A N HIS 476.A O no hydrogen 3.170 N/A LYS 480.A NZ GLU 187.A O no hydrogen 3.330 N/A PHE 481.A N LYS 478.A O no hydrogen 3.217 N/A ASP 482.A N ALA 479.A O no hydrogen 3.121 N/A THR 483.A N ALA 479.A O no hydrogen 3.057 N/A THR 483.A OG1 GLY 474.A O no hydrogen 2.775 N/A THR 483.A OG1 ALA 479.A O no hydrogen 3.477 N/A SER 484.A N LYS 480.A O no hydrogen 2.968 N/A SER 484.A OG GLY 189.A O no hydrogen 2.881 N/A SER 484.A OG LYS 480.A O no hydrogen 2.956 N/A ILE 485.A N ASN 191.A OD1 no hydrogen 2.770 N/A THR 486.A N LYS 506.A O no hydrogen 2.845 N/A PHE 487.A N VAL 192.A O no hydrogen 2.772 N/A VAL 488.A N LEU 508.A O no hydrogen 3.115 N/A SER 489.A OG VAL 210.A O no hydrogen 2.652 N/A LYS 490.A NZ ASP 240.A OD2 no hydrogen 2.752 N/A ALA 492.A N SER 489.A OG no hydrogen 3.263 N/A TYR 493.A N SER 489.A O no hydrogen 2.981 N/A GLU 494.A N LYS 490.A O no hydrogen 2.802 N/A ASN 495.A N VAL 491.A O no hydrogen 2.997 N/A ASN 495.A N ALA 492.A O no hydrogen 3.049 N/A GLY 496.A N TYR 493.A O no hydrogen 3.106 N/A ILE 497.A N ALA 492.A O no hydrogen 3.160 N/A LYS 498.A NZ LEU 503.A O no hydrogen 2.937 N/A LYS 498.A NZ ARG 505.A O no hydrogen 3.068 N/A LYS 500.A N GLY 496.A O no hydrogen 2.937 N/A LYS 500.A NZ ASN 495.A O no hydrogen 2.774 N/A LEU 501.A N ILE 497.A O no hydrogen 2.846 N/A GLY 502.A N GLU 499.A O no hydrogen 3.045 N/A LEU 503.A N LYS 498.A O no hydrogen 2.836 N/A GLU 504.A N GLU 186.A OE1 no hydrogen 2.614 N/A ARG 505.A N GLU 186.A OE1 no hydrogen 3.421 N/A ARG 505.A NH1 MET 190.A O no hydrogen 3.418 N/A ARG 505.A NH1 THR 486.A OG1 no hydrogen 2.883 N/A ARG 505.A NH2 TYR 188.A O no hydrogen 3.023 N/A ARG 505.A NH2 MET 190.A O no hydrogen 2.400 N/A LYS 506.A N SER 484.A O no hydrogen 3.097 N/A LYS 506.A NZ ASP 482.A O no hydrogen 3.266 N/A LEU 508.A N THR 486.A O no hydrogen 3.332 N/A VAL 510.A N VAL 488.A O no hydrogen 2.820 N/A LYS 511.A N GLY 412.A O no hydrogen 3.040 N/A LYS 511.A NZ TYR 416.A OH no hydrogen 3.175 N/A ASN 512.A N ASP 240.A OD2 no hydrogen 2.819 N/A CYS 513.A N ASP 240.A OD1 no hydrogen 2.880 N/A CYS 513.A SG ASP 240.A O no hydrogen 3.901 N/A ARG 514.A N ASP 240.A OD1 no hydrogen 3.461 N/A ARG 514.A NE ASP 237.A OD1 no hydrogen 2.799 N/A ARG 514.A NH1 VAL 241.A O no hydrogen 3.172 N/A ARG 514.A NH1 GLN 242.A OE1 no hydrogen 2.925 N/A ARG 514.A NH1 ALA 267.A O no hydrogen 3.118 N/A ARG 514.A NH2 ASP 237.A OD1 no hydrogen 3.328 N/A ARG 514.A NH2 ALA 267.A O no hydrogen 2.753 N/A THR 517.A N ASP 520.A OD2 no hydrogen 3.018 N/A THR 517.A OG1 ASP 520.A OD2 no hydrogen 3.336 N/A LYS 518.A N VAL 291.A O no hydrogen 2.865 N/A LYS 518.A NZ ALA 288.A O no hydrogen 2.587 N/A LYS 518.A NZ VAL 349.A O no hydrogen 2.634 N/A LYS 518.A NZ THR 526.A O no hydrogen 3.480 N/A LYS 519.A N THR 517.A OG1 no hydrogen 3.273 N/A ASP 520.A N THR 517.A O no hydrogen 3.158 N/A PHE 521.A N LYS 518.A O no hydrogen 3.194 N/A LYS 522.A N ASN 406.A OD1 no hydrogen 2.800 N/A ASN 524.A ND2 ARG 398.A O no hydrogen 2.963 N/A ASN 524.A ND2 LYS 522.A O no hydrogen 2.920 N/A ASN 525.A ND2 LYS 518.A O no hydrogen 2.788 N/A ASN 525.A ND2 PHE 521.A O no hydrogen 2.717 N/A THR 526.A N GLY 348.A O no hydrogen 3.210 N/A THR 526.A OG1 MET 347.A O no hydrogen 2.799 N/A THR 526.A OG1 GLY 348.A O no hydrogen 3.378 N/A ALA 528.A N GLY 289.A O no hydrogen 3.375 N/A LYS 529.A N ASN 542.A OD1 no hydrogen 2.810 N/A THR 531.A N PHE 540.A O no hydrogen 2.971 N/A ASN 533.A N GLU 538.A O no hydrogen 3.043 N/A GLU 535.A N ASN 533.A OD1 no hydrogen 3.000 N/A THR 536.A N ASN 533.A OD1 no hydrogen 3.382 N/A THR 536.A OG1 GLU 538.A OE1 no hydrogen 3.238 N/A PHE 537.A N ASN 533.A O no hydrogen 2.895 N/A PHE 540.A N THR 531.A O no hydrogen 2.775 N/A VAL 541.A N LYS 544.A O no hydrogen 2.825 N/A ASN 542.A N LYS 529.A O no hydrogen 2.861 N/A LYS 544.A N VAL 541.A O no hydrogen 3.121 N/A CYS 546.A N VAL 539.A O no hydrogen 2.691 N/A CYS 546.A SG ALA 340.A O no hydrogen 3.740 N/A SER 548.A N THR 547.A OG1 no hydrogen 2.860 N/A SER 548.A OG ALA 339.A O no hydrogen 2.771 N/A LYS 549.A N GLU 380.A OE1 no hydrogen 3.143 N/A LYS 549.A N GLU 380.A OE2 no hydrogen 3.130 N/A ALA 551.A N TYR 304.A O no hydrogen 2.778 N/A LEU 556.A N ASP 24.A OD1 no hydrogen 2.722 N/A ARG 559.A NE ASP 24.A OD2 no hydrogen 2.871 N/A ARG 559.A NH2 ASP 24.A OD2 no hydrogen 3.192 N/A TYR 560.A N ALA 557.A O no hydrogen 3.069 N/A TYR 560.A OH ALA 434.A O no hydrogen 2.660 N/A THR 561.A N ALA 557.A O no hydrogen 3.244 N/A THR 561.A OG1 PHE 563.A O no hydrogen 3.132 N/A