Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5icq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ILE 81.A O no hydrogen 3.269 N/A LEU 4.A N LEU 73.A O no hydrogen 2.950 N/A MET 6.A N PHE 71.A O no hydrogen 2.781 N/A HIS 7.A ND1 ALA 503.A O no hydrogen 3.170 N/A GLY 8.A N ARG 504.A O no hydrogen 3.020 N/A GLN 11.A N GLU 69.A OE1 no hydrogen 2.972 N/A LEU 12.A N TYR 74.A OH no hydrogen 2.915 N/A PHE 16.A N PRO 13.A O no hydrogen 3.028 N/A HIS 18.A ND1 ASP 17.A OD2 no hydrogen 2.719 N/A ALA 22.A N PHE 19.A O no hydrogen 2.971 N/A ALA 25.A N ASP 23.A OD1 no hydrogen 2.810 N/A ALA 26.A N ASP 23.A O no hydrogen 2.891 N/A LYS 28.A NZ TYR 221.A O no hydrogen 3.563 N/A LYS 28.A NZ ASN 222.A OD1 no hydrogen 2.574 N/A GLY 29.A N ASN 222.A O no hydrogen 2.931 N/A ARG 31.A NE GLU 225.A OE2 no hydrogen 2.867 N/A ARG 31.A NH2 GLU 225.A OE2 no hydrogen 2.491 N/A LEU 32.A N GLU 225.A O no hydrogen 2.882 N/A ARG 33.A N ASP 247.A OD2 no hydrogen 2.851 N/A ARG 33.A NE ASP 247.A OD1 no hydrogen 3.408 N/A ARG 33.A NE ASP 247.A OD2 no hydrogen 2.802 N/A ARG 33.A NH2 GLY 244.A O no hydrogen 2.821 N/A ARG 33.A NH2 ASP 247.A OD1 no hydrogen 2.929 N/A VAL 34.A N ASP 227.A O no hydrogen 2.868 N/A LEU 36.A N GLN 229.A O no hydrogen 2.862 N/A GLY 38.A N PHE 231.A O no hydrogen 2.858 N/A ASP 41.A N THR 49.A O no hydrogen 2.751 N/A SER 42.A N THR 49.A O no hydrogen 3.252 N/A LEU 43.A N THR 180.A O no hydrogen 2.760 N/A ASN 44.A N SER 42.A OG no hydrogen 3.160 N/A PHE 46.A N ASN 44.A OD1 no hydrogen 2.961 N/A ASN 47.A ND2 PHE 176.A O no hydrogen 2.896 N/A THR 49.A N ASP 41.A OD1 no hydrogen 2.710 N/A ALA 51.A N SER 42.A O no hydrogen 2.881 N/A GLN 52.A N TYR 230.A OH no hydrogen 2.925 N/A GLY 56.A N PHE 59.A O no hydrogen 2.816 N/A ASN 57.A ND2 GLY 53.A O no hydrogen 2.913 N/A ASN 57.A ND2 THR 560.A OG1 no hydrogen 2.963 N/A VAL 58.A N LEU 54.A O no hydrogen 2.881 N/A PHE 59.A N LEU 54.A O no hydrogen 3.035 N/A GLN 60.A NE2 TYR 209.A OH no hydrogen 2.785 N/A MET 63.A N ALA 161.A O no hydrogen 3.010 N/A ALA 64.A N TYR 74.A O no hydrogen 2.699 N/A ARG 65.A NH2 PRO 70.A O no hydrogen 2.760 N/A SER 66.A N THR 72.A O no hydrogen 3.078 N/A GLN 67.A N TYR 21.A OH no hydrogen 2.852 N/A ASP 68.A N SER 66.A OG no hydrogen 3.194 N/A GLU 69.A N SER 66.A O no hydrogen 3.477 N/A THR 72.A OG1 GLU 69.A OE1 no hydrogen 2.723 N/A LEU 73.A N LEU 4.A O no hydrogen 2.745 N/A TYR 74.A N ALA 64.A O no hydrogen 2.749 N/A TYR 74.A OH GLU 69.A OE2 no hydrogen 2.575 N/A LEU 76.A N LEU 62.A O no hydrogen 3.255 N/A LEU 76.A N ALA 78.A O no hydrogen 3.117 N/A ALA 78.A N LEU 62.A O no hydrogen 2.825 N/A GLN 79.A N HIS 93.A O no hydrogen 2.777 N/A SER 80.A N HIS 93.A O no hydrogen 3.485 N/A ILE 81.A N SER 1.A O no hydrogen 2.942 N/A ASP 82.A N THR 91.A O no hydrogen 2.802 N/A ARG 87.A N ASP 84.A O no hydrogen 2.996 N/A ARG 87.A NH1 MET 6.A O no hydrogen 3.039 N/A ARG 87.A NH1 ARG 154.A O no hydrogen 2.872 N/A ARG 87.A NH2 ALA 5.A O no hydrogen 2.847 N/A ARG 87.A NH2 MET 6.A O no hydrogen 3.382 N/A THR 88.A N ASP 84.A OD1 no hydrogen 3.002 N/A THR 88.A N ASP 84.A OD2 no hydrogen 3.352 N/A THR 88.A OG1 ASP 84.A OD2 no hydrogen 2.506 N/A ARG 89.A N ASP 84.A OD1 no hydrogen 3.358 N/A ARG 89.A NH1 THR 88.A O no hydrogen 3.001 N/A ARG 89.A NH1 ASP 147.A OD1 no hydrogen 2.461 N/A ARG 89.A NH1 THR 149.A OG1 no hydrogen 3.233 N/A VAL 90.A N TYR 146.A O no hydrogen 3.157 N/A THR 91.A N ASP 82.A O no hydrogen 2.859 N/A PHE 92.A N VAL 144.A O no hydrogen 2.826 N/A HIS 93.A N SER 80.A O no hydrogen 2.981 N/A LEU 94.A N HIS 142.A O no hydrogen 2.853 N/A ASP 95.A N ILE 77.A O no hydrogen 2.729 N/A ARG 97.A N ASP 95.A OD1 no hydrogen 2.895 N/A ARG 97.A NE ASP 95.A OD1 no hydrogen 2.910 N/A ARG 97.A NE ASP 95.A OD2 no hydrogen 3.094 N/A ARG 97.A NH2 ASP 95.A OD2 no hydrogen 2.694 N/A ALA 98.A N ASP 95.A O no hydrogen 3.000 N/A HIS 99.A ND1 PHE 100.A O no hydrogen 2.830 N/A PHE 100.A N LYS 104.A O no hydrogen 2.819 N/A SER 101.A N GLY 186.A O no hydrogen 2.916 N/A GLY 103.A N PHE 100.A O no hydrogen 2.852 N/A LYS 104.A N ASP 102.A OD1 no hydrogen 3.031 N/A ILE 106.A N ALA 98.A O no hydrogen 3.037 N/A THR 107.A N ASP 110.A OD2 no hydrogen 3.033 N/A ALA 108.A N PRO 141.A O no hydrogen 2.834 N/A ASP 110.A N THR 107.A O no hydrogen 2.906 N/A VAL 111.A N THR 107.A O no hydrogen 3.425 N/A LEU 112.A N ALA 108.A O no hydrogen 2.930 N/A PHE 113.A N GLU 109.A O no hydrogen 2.945 N/A SER 114.A N ASP 110.A O no hydrogen 2.943 N/A SER 114.A OG ASP 110.A O no hydrogen 2.855 N/A PHE 115.A N VAL 111.A O no hydrogen 2.873 N/A ASP 116.A N LEU 112.A O no hydrogen 2.918 N/A LEU 117.A N PHE 113.A O no hydrogen 2.975 N/A LEU 118.A N SER 114.A O no hydrogen 2.889 N/A LYS 119.A N PHE 115.A O no hydrogen 2.877 N/A ALA 120.A N ASP 116.A O no hydrogen 3.206 N/A LYS 121.A N LEU 117.A O no hydrogen 2.788 N/A GLY 122.A N LEU 118.A O no hydrogen 2.779 N/A ARG 123.A N GLN 126.A OE1 no hydrogen 3.005 N/A GLN 126.A NE2 TYR 130.A OH no hydrogen 3.008 N/A ARG 127.A N ARG 123.A O no hydrogen 2.820 N/A ARG 127.A NE GLY 122.A O no hydrogen 2.774 N/A ARG 127.A NH2 GLY 122.A O no hydrogen 3.411 N/A ILE 128.A N PRO 124.A O no hydrogen 3.116 N/A ALA 129.A N GLN 125.A O no hydrogen 2.874 N/A TYR 130.A N GLN 126.A O no hydrogen 2.908 N/A GLY 131.A N ARG 127.A O no hydrogen 2.914 N/A LEU 132.A N ALA 129.A O no hydrogen 2.968 N/A VAL 133.A N TYR 130.A O no hydrogen 3.162 N/A LYS 134.A N ASP 147.A O no hydrogen 2.711 N/A LYS 134.A NZ THR 149.A O no hydrogen 3.150 N/A THR 137.A N ALA 145.A O no hydrogen 2.969 N/A HIS 142.A N ASP 140.A OD1 no hydrogen 2.863 N/A ARG 143.A N ASP 140.A O no hydrogen 3.128 N/A ARG 143.A NE HIS 93.A NE2 no hydrogen 2.860 N/A ARG 143.A NH1 ASP 140.A OD2 no hydrogen 3.353 N/A VAL 144.A N PHE 92.A O no hydrogen 2.994 N/A ALA 145.A N THR 137.A O no hydrogen 2.797 N/A TYR 146.A N VAL 90.A O no hydrogen 2.825 N/A ASP 147.A N SER 135.A O no hydrogen 2.799 N/A LEU 148.A N THR 88.A O no hydrogen 2.755 N/A THR 149.A N ASP 147.A OD1 no hydrogen 2.956 N/A THR 149.A OG1 ASP 147.A OD1 no hydrogen 2.763 N/A VAL 151.A N LEU 148.A O no hydrogen 3.351 N/A ARG 154.A NH1 PRO 85.A O no hydrogen 2.858 N/A ARG 154.A NH2 PRO 85.A O no hydrogen 3.404 N/A GLU 155.A N ASP 153.A OD1 no hydrogen 2.997 N/A LEU 156.A N ASP 153.A O no hydrogen 3.207 N/A LEU 158.A N GLU 155.A O no hydrogen 3.038 N/A ILE 159.A N GLU 155.A O no hydrogen 3.109 N/A LEU 160.A N LEU 156.A O no hydrogen 2.927 N/A ALA 161.A N PRO 157.A O no hydrogen 3.001 N/A ILE 162.A N LEU 158.A O no hydrogen 3.167 N/A ILE 162.A N ILE 159.A O no hydrogen 3.324 N/A MET 163.A N LEU 160.A O no hydrogen 3.323 N/A VAL 165.A N GLN 60.A O no hydrogen 2.783 N/A LEU 166.A N SER 114.A OG no hydrogen 2.779 N/A LYS 168.A N ASP 110.A OD1 no hydrogen 2.912 N/A LYS 168.A NZ GLU 109.A OE2 no hydrogen 3.201 N/A HIS 169.A NE2 ASP 102.A OD2 no hydrogen 2.675 N/A ALA 170.A N PRO 167.A O no hydrogen 2.996 N/A GLU 174.A N ASP 172.A OD1 no hydrogen 2.994 N/A ARG 175.A N ASP 172.A O no hydrogen 3.172 N/A ARG 175.A NE ASP 178.A OD2 no hydrogen 3.294 N/A ARG 175.A NH2 ASP 178.A OD2 no hydrogen 3.484 N/A PHE 176.A N VAL 173.A O no hydrogen 3.209 N/A ASP 178.A N ARG 175.A O no hydrogen 2.920 N/A THR 180.A N SER 42.A OG no hydrogen 3.363 N/A LYS 183.A NZ ALA 193.A O no hydrogen 3.127 N/A SER 187.A N VAL 58.A O no hydrogen 3.032 N/A SER 187.A OG GLN 60.A OE1 no hydrogen 2.658 N/A GLY 188.A N VAL 58.A O no hydrogen 2.913 N/A TYR 190.A N ASN 57.A O no hydrogen 2.976 N/A TYR 190.A OH PHE 223.A O no hydrogen 2.709 N/A VAL 191.A N LYS 204.A O no hydrogen 2.878 N/A ALA 193.A N LEU 202.A O no hydrogen 2.827 N/A ASP 194.A N LEU 202.A O no hydrogen 3.331 N/A GLN 196.A N ARG 200.A O no hydrogen 2.953 N/A GLN 196.A NE2 ASP 194.A OD2 no hydrogen 2.779 N/A ALA 199.A N GLN 196.A O no hydrogen 2.815 N/A ARG 200.A N GLN 196.A O no hydrogen 3.012 N/A ARG 200.A NE ASP 227.A OD1 no hydrogen 2.885 N/A ARG 200.A NH1 ASP 194.A OD2 no hydrogen 2.839 N/A ARG 200.A NH2 ASP 227.A OD1 no hydrogen 3.467 N/A ARG 200.A NH2 ASP 227.A OD2 no hydrogen 3.511 N/A LEU 201.A N LEU 228.A O no hydrogen 2.860 N/A LEU 202.A N ASP 194.A O no hydrogen 2.866 N/A LEU 203.A N ILE 226.A O no hydrogen 2.796 N/A LYS 204.A N VAL 191.A O no hydrogen 2.962 N/A ARG 205.A N ASP 224.A O no hydrogen 2.848 N/A ARG 205.A NE ASP 224.A OD1 no hydrogen 3.130 N/A ARG 205.A NH1 TYR 221.A O no hydrogen 2.967 N/A ARG 205.A NH2 TYR 221.A O no hydrogen 3.240 N/A ARG 205.A NH2 ASP 224.A OD1 no hydrogen 3.200 N/A ASP 206.A N PRO 189.A O no hydrogen 2.843 N/A ASN 208.A N ASP 206.A OD1 no hydrogen 2.919 N/A TYR 209.A N ASP 206.A O no hydrogen 3.120 N/A TYR 209.A OH GLN 217.A OE1 no hydrogen 2.516 N/A TRP 210.A NE1 GLN 60.A OE1 no hydrogen 2.891 N/A ILE 214.A N GLY 211.A O no hydrogen 3.014 N/A SER 216.A OG PRO 75.A O no hydrogen 2.918 N/A GLN 217.A N ILE 214.A O no hydrogen 2.873 N/A GLN 217.A NE2 SER 216.A O no hydrogen 3.159 N/A ARG 218.A N PRO 215.A O no hydrogen 3.324 N/A ARG 218.A NE ASP 213.A O no hydrogen 3.010 N/A ARG 218.A NE ASP 213.A OD1 no hydrogen 3.012 N/A ARG 218.A NH1 ASP 17.A O no hydrogen 2.892 N/A ARG 218.A NH2 ASP 213.A O no hydrogen 3.001 N/A ARG 218.A NH2 ASP 213.A OD2 no hydrogen 3.521 N/A PHE 220.A N GLN 217.A O no hydrogen 3.191 N/A TYR 221.A N GLU 562.A O no hydrogen 2.926 N/A ASN 222.A ND2 GLY 219.A O no hydrogen 3.061 N/A ASN 222.A ND2 TRP 564.A O no hydrogen 2.849 N/A ASP 224.A N GLY 30.A O no hydrogen 2.818 N/A GLU 225.A N GLY 30.A O no hydrogen 3.124 N/A ILE 226.A N LEU 203.A O no hydrogen 2.899 N/A ASP 227.A N LEU 32.A O no hydrogen 2.825 N/A LEU 228.A N LEU 201.A O no hydrogen 2.799 N/A GLN 229.A N VAL 34.A O no hydrogen 2.803 N/A GLN 229.A NE2 ASP 227.A OD2 no hydrogen 3.145 N/A TYR 230.A N ALA 199.A O no hydrogen 2.939 N/A PHE 231.A N LEU 36.A O no hydrogen 2.851 N/A SER 236.A OG ASP 233.A O no hydrogen 3.157 N/A SER 236.A OG ASP 233.A OD2 no hydrogen 3.416 N/A LEU 237.A N ASP 233.A O no hydrogen 3.199 N/A PHE 238.A N GLY 234.A O no hydrogen 2.812 N/A GLU 239.A N ASN 235.A O no hydrogen 2.839 N/A ALA 240.A N SER 236.A O no hydrogen 3.038 N/A PHE 241.A N LEU 237.A O no hydrogen 3.219 N/A LYS 242.A N PHE 238.A O no hydrogen 2.968 N/A LYS 242.A NZ GLU 239.A OE2 no hydrogen 3.076 N/A ALA 243.A N GLU 239.A O no hydrogen 2.929 N/A GLY 244.A N PHE 241.A O no hydrogen 2.953 N/A LEU 245.A N ALA 240.A O no hydrogen 2.979 N/A ASP 247.A N ARG 33.A O no hydrogen 2.872 N/A TYR 248.A OH ASP 250.A OD1 no hydrogen 2.671 N/A ARG 249.A N ALA 538.A O no hydrogen 2.895 N/A ARG 249.A NE GLU 251.A OE2 no hydrogen 3.418 N/A ARG 249.A NE TYR 261.A OH no hydrogen 3.004 N/A ARG 249.A NH2 GLU 251.A OE1 no hydrogen 3.569 N/A ARG 249.A NH2 GLU 251.A OE2 no hydrogen 2.841 N/A GLU 251.A N TRP 536.A O no hydrogen 2.801 N/A SER 253.A N GLU 251.A OE1 no hydrogen 3.003 N/A ARG 256.A N SER 253.A OG no hydrogen 2.985 N/A ARG 256.A NE GLU 251.A OE1 no hydrogen 3.138 N/A ARG 256.A NE GLU 251.A OE2 no hydrogen 3.358 N/A ARG 256.A NH2 GLU 251.A OE1 no hydrogen 3.120 N/A TRP 257.A N SER 253.A O no hydrogen 2.946 N/A SER 258.A N THR 254.A O no hydrogen 2.856 N/A THR 259.A N THR 255.A O no hydrogen 2.963 N/A THR 259.A OG1 THR 255.A O no hydrogen 3.043 N/A GLY 260.A N ARG 256.A O no hydrogen 2.635 N/A TYR 261.A OH GLU 251.A OE2 no hydrogen 2.511 N/A LEU 266.A N PHE 263.A O no hydrogen 3.067 N/A ARG 267.A N PRO 264.A O no hydrogen 2.739 N/A ARG 267.A NE ASP 262.A OD1 no hydrogen 2.731 N/A ARG 267.A NH2 ASP 262.A OD1 no hydrogen 2.822 N/A ASP 268.A N PRO 264.A O no hydrogen 2.910 N/A ARG 270.A N ASP 268.A OD1 no hydrogen 3.302 N/A ARG 270.A NE ASP 268.A OD1 no hydrogen 2.998 N/A ARG 270.A NE ASP 268.A OD2 no hydrogen 3.056 N/A ARG 270.A NH2 ASP 268.A OD2 no hydrogen 2.809 N/A MET 271.A N ALA 265.A O no hydrogen 3.022 N/A ALA 272.A N HIS 539.A O no hydrogen 2.885 N/A ARG 273.A NH1 TRP 257.A O no hydrogen 2.855 N/A GLU 274.A N ILE 537.A O no hydrogen 2.908 N/A LEU 276.A N GLN 535.A O no hydrogen 2.872 N/A LYS 277.A NZ GLU 332.A OE2 no hydrogen 3.045 N/A LYS 277.A NZ SER 533.A O no hydrogen 3.062 N/A ASN 278.A ND2 PRO 550.A O no hydrogen 3.177 N/A ASN 278.A ND2 GLY 553.A O no hydrogen 3.168 N/A GLU 279.A N ARG 551.A O no hydrogen 2.765 N/A ASN 280.A N ASN 278.A OD1 no hydrogen 3.036 N/A ASN 280.A ND2 PRO 281.A O no hydrogen 3.484 N/A LYS 282.A N ASP 331.A O no hydrogen 2.804 N/A LYS 282.A NZ ASN 280.A O no hydrogen 2.765 N/A LEU 284.A N TYR 458.A O no hydrogen 2.904 N/A GLY 286.A N GLY 456.A O no hydrogen 3.020 N/A PHE 287.A N VAL 527.A O no hydrogen 2.964 N/A VAL 288.A N MET 454.A O no hydrogen 2.655 N/A PHE 289.A N TYR 525.A O no hydrogen 3.067 N/A ASN 290.A N ASP 452.A O no hydrogen 2.953 N/A ASN 290.A ND2 PHE 451.A O no hydrogen 2.873 N/A THR 291.A N ALA 486.A O no hydrogen 2.976 N/A THR 291.A OG1 ALA 486.A O no hydrogen 2.739 N/A ARG 292.A N ASN 290.A OD1 no hydrogen 3.024 N/A ARG 292.A NE ALA 477.A O no hydrogen 2.891 N/A ARG 292.A NH1 ASN 290.A OD1 no hydrogen 2.895 N/A ARG 292.A NH1 LEU 485.A O no hydrogen 2.919 N/A ARG 292.A NH2 ALA 477.A O no hydrogen 2.839 N/A ARG 292.A NH2 ASN 484.A O no hydrogen 2.686 N/A ARG 292.A NH2 LEU 485.A O no hydrogen 3.491 N/A ARG 293.A N ASN 290.A O no hydrogen 3.157 N/A ARG 293.A NH1 ASP 452.A OD1 no hydrogen 2.909 N/A ARG 293.A NH2 ASP 450.A OD1 no hydrogen 2.900 N/A PHE 296.A N ARG 293.A O no hydrogen 2.934 N/A LYS 297.A N ALA 294.A O no hydrogen 3.300 N/A ARG 300.A N ASP 298.A OD1 no hydrogen 2.851 N/A ARG 300.A NE ASP 298.A OD1 no hydrogen 3.095 N/A ARG 300.A NE ASP 298.A OD2 no hydrogen 3.356 N/A ARG 300.A NH2 ASP 298.A OD2 no hydrogen 2.840 N/A ARG 302.A N ASP 298.A O no hydrogen 3.102 N/A ARG 302.A NE GLY 523.A O no hydrogen 3.192 N/A ARG 302.A NE PHE 524.A O no hydrogen 3.123 N/A ARG 302.A NH1 PHE 296.A O no hydrogen 2.725 N/A ARG 302.A NH2 GLY 523.A O no hydrogen 2.827 N/A GLU 303.A N ALA 299.A O no hydrogen 2.896 N/A ALA 304.A N ARG 300.A O no hydrogen 2.982 N/A PHE 305.A N LEU 301.A O no hydrogen 2.896 N/A GLY 306.A N ARG 302.A O no hydrogen 3.009 N/A MET 307.A N GLU 303.A O no hydrogen 3.182 N/A MET 307.A N ALA 304.A O no hydrogen 3.120 N/A MET 308.A N PHE 305.A O no hydrogen 3.068 N/A PHE 309.A N GLY 306.A O no hydrogen 3.343 N/A TRP 313.A N ASP 310.A OD1 no hydrogen 3.092 N/A VAL 314.A N ASP 310.A O no hydrogen 3.482 N/A ASN 315.A N PHE 311.A O no hydrogen 2.827 N/A ASN 315.A ND2 TYR 323.A O no hydrogen 3.065 N/A ALA 316.A N GLU 312.A O no hydrogen 3.074 N/A ASN 317.A N TRP 313.A O no hydrogen 2.955 N/A ASN 317.A ND2 TRP 313.A O no hydrogen 2.888 N/A TYR 318.A N VAL 314.A O no hydrogen 2.812 N/A TYR 319.A N ASN 315.A O no hydrogen 3.207 N/A TYR 319.A OH ASP 413.A OD1 no hydrogen 2.874 N/A GLY 321.A N ASN 315.A O no hydrogen 2.862 N/A LEU 322.A N TYR 319.A O no hydrogen 2.990 N/A TYR 323.A N ASN 315.A OD1 no hydrogen 3.095 N/A THR 324.A N HIS 531.A O no hydrogen 2.820 N/A ARG 325.A NE PRO 528.A O no hydrogen 2.942 N/A ARG 325.A NE LEU 529.A O no hydrogen 3.301 N/A ARG 325.A NH1 PRO 369.A O no hydrogen 3.467 N/A ARG 325.A NH2 PRO 528.A O no hydrogen 2.758 N/A THR 326.A N LEU 529.A O no hydrogen 2.919 N/A THR 326.A OG1 HIS 531.A ND1 no hydrogen 2.787 N/A LYS 327.A N ASP 331.A OD2 no hydrogen 2.896 N/A SER 328.A OG SER 336.A OG no hydrogen 3.140 N/A SER 328.A OG ASP 517.A OD1 no hydrogen 3.297 N/A SER 328.A OG ASP 517.A OD2 no hydrogen 2.629 N/A PHE 329.A N ASP 517.A OD1 no hydrogen 2.962 N/A PHE 330.A N SER 328.A OG no hydrogen 2.910 N/A ASP 331.A N LYS 282.A O no hydrogen 2.942 N/A GLU 332.A N ASP 331.A OD1 no hydrogen 2.937 N/A SER 333.A OG PHE 330.A O no hydrogen 3.158 N/A LEU 335.A N SER 333.A OG no hydrogen 3.057 N/A SER 336.A N SER 333.A O no hydrogen 3.190 N/A SER 336.A OG SER 328.A OG no hydrogen 3.140 N/A SER 337.A N ASP 517.A OD2 no hydrogen 2.938 N/A SER 337.A OG ASP 517.A OD2 no hydrogen 2.738 N/A SER 338.A N SER 336.A OG no hydrogen 3.047 N/A ARG 340.A N SER 337.A O no hydrogen 3.236 N/A ARG 340.A NH1 SER 333.A O no hydrogen 2.973 N/A ARG 340.A NH1 SER 336.A O no hydrogen 2.811 N/A ALA 342.A N LEU 362.A O no hydrogen 2.954 N/A SER 343.A N GLU 346.A OE2 no hydrogen 3.345 N/A GLU 346.A N SER 343.A OG no hydrogen 3.018 N/A ARG 347.A N SER 343.A O no hydrogen 2.906 N/A ARG 347.A NE ALA 342.A O no hydrogen 2.981 N/A ARG 347.A NH1 GLU 363.A OE2 no hydrogen 3.145 N/A ARG 347.A NH2 ALA 342.A O no hydrogen 3.083 N/A ARG 347.A NH2 GLU 363.A OE1 no hydrogen 3.035 N/A ARG 347.A NH2 GLU 363.A OE2 no hydrogen 3.516 N/A ALA 348.A N GLU 344.A O no hydrogen 2.997 N/A LEU 349.A N LYS 345.A O no hydrogen 3.092 N/A LEU 350.A N GLU 346.A O no hydrogen 2.996 N/A ALA 351.A N ALA 348.A O no hydrogen 3.270 N/A TRP 353.A N LEU 350.A O no hydrogen 2.918 N/A ALA 356.A N TRP 353.A O no hydrogen 3.093 N/A ARG 358.A N SER 522.A OG no hydrogen 3.007 N/A ARG 358.A NH1 GLU 303.A OE1 no hydrogen 2.837 N/A ILE 361.A N ARG 358.A O no hydrogen 2.908 N/A LEU 362.A N ARG 358.A O no hydrogen 2.800 N/A GLU 363.A N ALA 359.A O no hydrogen 3.048 N/A GLY 364.A N ILE 361.A O no hydrogen 3.164 N/A GLU 365.A N GLU 360.A O no hydrogen 3.077 N/A SER 371.A N GLU 312.A OE2 no hydrogen 3.064 N/A SER 371.A OG ASP 310.A OD1 no hydrogen 2.478 N/A SER 371.A OG GLU 312.A OE2 no hydrogen 2.938 N/A ALA 377.A N ASP 373.A O no hydrogen 3.044 N/A ARG 378.A N ARG 374.A O no hydrogen 2.680 N/A ARG 379.A N ASP 375.A O no hydrogen 2.844 N/A ALA 380.A N MET 376.A O no hydrogen 3.000 N/A LEU 381.A N ALA 377.A O no hydrogen 2.895 N/A ASP 382.A N ARG 378.A O no hydrogen 2.977 N/A LEU 383.A N ARG 379.A O no hydrogen 3.152 N/A LEU 384.A N ALA 380.A O no hydrogen 2.872 N/A ALA 385.A N LEU 381.A O no hydrogen 2.823 N/A ALA 386.A N ASP 382.A O no hydrogen 3.184 N/A ALA 387.A N LEU 383.A O no hydrogen 3.041 N/A GLY 388.A N ALA 385.A O no hydrogen 2.946 N/A CYS 389.A N LEU 384.A O no hydrogen 2.866 N/A CYS 389.A SG ALA 387.A O no hydrogen 4.003 N/A ASP 392.A N ARG 395.A O no hydrogen 2.898 N/A LEU 396.A N GLY 429.A O no hydrogen 2.865 N/A MET 397.A N ARG 390.A O no hydrogen 2.833 N/A LYS 398.A N GLU 401.A O no hydrogen 2.880 N/A LYS 398.A NZ ALA 294.A O no hydrogen 3.494 N/A LYS 398.A NZ ASP 399.A OD2 no hydrogen 3.001 N/A GLU 401.A N LYS 398.A O no hydrogen 3.103 N/A PHE 403.A N LEU 396.A O no hydrogen 2.734 N/A PHE 405.A N GLU 431.A O no hydrogen 2.990 N/A GLU 406.A N ASP 452.A OD2 no hydrogen 2.938 N/A ILE 407.A N ARG 433.A O no hydrogen 2.793 N/A MET 408.A N MET 453.A O no hydrogen 2.927 N/A VAL 409.A N ARG 435.A O no hydrogen 2.993 N/A LYS 410.A N GLN 414.A OE1 no hydrogen 3.098 N/A GLN 414.A N ASP 411.A OD1 no hydrogen 2.854 N/A GLU 415.A N ASP 411.A O no hydrogen 2.925 N/A ARG 416.A N ARG 412.A O no hydrogen 2.949 N/A LEU 417.A N ASP 413.A O no hydrogen 3.166 N/A ALA 418.A N GLN 414.A O no hydrogen 2.880 N/A LEU 419.A N GLU 415.A O no hydrogen 2.827 N/A ALA 420.A N ARG 416.A O no hydrogen 3.045 N/A TYR 421.A N LEU 417.A O no hydrogen 3.107 N/A TYR 421.A OH PHE 305.A O no hydrogen 2.751 N/A ALA 422.A N ALA 418.A O no hydrogen 2.767 N/A SER 423.A N LEU 419.A O no hydrogen 3.032 N/A SER 424.A N ALA 420.A O no hydrogen 3.115 N/A SER 424.A OG ALA 420.A O no hydrogen 3.523 N/A LEU 425.A N TYR 421.A O no hydrogen 2.916 N/A ALA 426.A N ALA 422.A O no hydrogen 2.966 N/A ARG 427.A N SER 424.A O no hydrogen 3.066 N/A ILE 428.A N LEU 425.A O no hydrogen 2.987 N/A GLY 429.A N ALA 426.A O no hydrogen 3.018 N/A VAL 430.A N LEU 425.A O no hydrogen 3.225 N/A GLU 431.A N PHE 403.A O no hydrogen 3.094 N/A ARG 433.A N PHE 405.A O no hydrogen 2.882 N/A ARG 435.A N ILE 407.A O no hydrogen 3.058 N/A ARG 435.A NH1 VAL 434.A O no hydrogen 3.026 N/A VAL 437.A N VAL 409.A O no hydrogen 3.034 N/A GLN 441.A N ASP 438.A OD1 no hydrogen 2.867 N/A TYR 442.A N ASP 438.A O no hydrogen 2.845 N/A GLN 443.A N GLU 439.A O no hydrogen 3.040 N/A ARG 444.A N VAL 440.A O no hydrogen 3.025 N/A ARG 445.A N GLN 441.A O no hydrogen 2.814 N/A ARG 445.A NE ASP 450.A O no hydrogen 2.880 N/A ARG 445.A NH2 GLU 406.A OE2 no hydrogen 2.715 N/A ARG 445.A NH2 ASP 450.A O no hydrogen 3.057 N/A ARG 446.A N TYR 442.A O no hydrogen 2.857 N/A GLN 447.A N GLN 443.A O no hydrogen 3.007 N/A LYS 448.A N ARG 444.A O no hydrogen 3.073 N/A PHE 449.A N ARG 446.A O no hydrogen 3.225 N/A ASP 450.A N ARG 445.A O no hydrogen 2.808 N/A MET 454.A N VAL 288.A O no hydrogen 3.289 N/A GLY 456.A N GLY 286.A O no hydrogen 2.903 N/A GLN 457.A NE2 ASN 285.A OD1 no hydrogen 3.047 N/A TYR 458.A N LEU 284.A O no hydrogen 2.695 N/A ALA 460.A N GLY 283.A O no hydrogen 2.812 N/A SER 463.A N SER 461.A OG no hydrogen 2.864 N/A GLY 465.A N GLU 467.A OE1 no hydrogen 3.186 N/A GLY 465.A N GLU 467.A OE2 no hydrogen 2.947 N/A ASN 466.A N GLU 155.A OE1 no hydrogen 3.207 N/A ASN 466.A ND2 ASP 153.A OD1 no hydrogen 3.473 N/A ASN 466.A ND2 ASP 153.A OD2 no hydrogen 3.192 N/A GLU 467.A N GLU 467.A OE1 no hydrogen 2.777 N/A GLN 468.A N GLY 465.A O no hydrogen 2.917 N/A GLN 468.A NE2 GLU 467.A OE2 no hydrogen 2.884 N/A ARG 469.A N ASN 466.A O no hydrogen 3.037 N/A ARG 469.A NH2 SER 498.A OG no hydrogen 3.329 N/A ARG 471.A N GLU 467.A O no hydrogen 3.327 N/A ARG 471.A NH1 VAL 459.A O no hydrogen 2.852 N/A ARG 471.A NH2 VAL 459.A O no hydrogen 2.997 N/A TRP 472.A N GLN 468.A O no hydrogen 2.986 N/A SER 473.A N ARG 469.A O no hydrogen 3.041 N/A SER 473.A OG ARG 469.A O no hydrogen 2.746 N/A SER 473.A OG THR 476.A OG1 no hydrogen 3.284 N/A SER 474.A N ASP 494.A OD1 no hydrogen 3.114 N/A SER 474.A OG ASP 494.A OD2 no hydrogen 2.932 N/A THR 476.A N SER 473.A O no hydrogen 3.131 N/A THR 476.A OG1 ARG 469.A O no hydrogen 3.209 N/A THR 476.A OG1 MET 470.A O no hydrogen 3.013 N/A THR 476.A OG1 SER 473.A O no hydrogen 3.166 N/A THR 476.A OG1 SER 473.A OG no hydrogen 3.284 N/A ALA 477.A N SER 474.A O no hydrogen 3.172 N/A GLN 479.A N THR 476.A O no hydrogen 3.383 N/A SER 481.A N GLN 447.A O no hydrogen 2.911 N/A SER 482.A N GLN 479.A O no hydrogen 3.089 N/A SER 482.A OG THR 476.A O no hydrogen 2.767 N/A SER 482.A OG GLN 479.A O no hydrogen 3.430 N/A ASN 484.A N SER 482.A OG no hydrogen 3.153 N/A ASN 484.A ND2 SER 473.A O no hydrogen 2.941 N/A ASN 484.A ND2 ALA 488.A O no hydrogen 3.063 N/A LEU 485.A N PHE 483.A O no hydrogen 2.905 N/A GLY 487.A N ASN 484.A O no hydrogen 3.203 N/A ALA 488.A N ASN 484.A OD1 no hydrogen 3.081 N/A ILE 493.A N SER 490.A OG no hydrogen 3.146 N/A ASP 494.A N SER 490.A O no hydrogen 3.063 N/A GLY 495.A N PRO 491.A O no hydrogen 2.815 N/A MET 496.A N ALA 492.A O no hydrogen 2.945 N/A ILE 497.A N ILE 493.A O no hydrogen 2.887 N/A SER 498.A N ASP 494.A O no hydrogen 2.997 N/A SER 498.A OG ASP 494.A O no hydrogen 3.076 N/A ALA 499.A N GLY 495.A O no hydrogen 2.972 N/A LEU 500.A N MET 496.A O no hydrogen 2.891 N/A LEU 501.A N ILE 497.A O no hydrogen 2.914 N/A SER 502.A N SER 498.A O no hydrogen 3.061 N/A SER 502.A OG SER 498.A O no hydrogen 3.177 N/A SER 502.A OG ALA 499.A O no hydrogen 3.408 N/A ALA 503.A N ALA 499.A O no hydrogen 3.074 N/A ASP 508.A N SER 505.A OG no hydrogen 3.002 N/A PHE 509.A N SER 505.A O no hydrogen 2.914 N/A VAL 510.A N GLN 506.A O no hydrogen 2.947 N/A THR 511.A N GLU 507.A O no hydrogen 3.051 N/A THR 511.A OG1 GLU 507.A O no hydrogen 2.919 N/A ALA 512.A N ASP 508.A O no hydrogen 3.027 N/A VAL 513.A N PHE 509.A O no hydrogen 2.951 N/A ARG 514.A N VAL 510.A O no hydrogen 2.957 N/A ARG 514.A NE GLU 334.A O no hydrogen 2.903 N/A ARG 514.A NH2 GLU 334.A O no hydrogen 2.992 N/A ALA 515.A N THR 511.A O no hydrogen 3.045 N/A TYR 516.A N ALA 512.A O no hydrogen 2.815 N/A TYR 516.A OH GLN 468.A OE1 no hydrogen 2.692 N/A ASP 517.A N VAL 513.A O no hydrogen 2.763 N/A ARG 518.A N ARG 514.A O no hydrogen 3.055 N/A ARG 518.A NE GLU 346.A OE1 no hydrogen 2.712 N/A ARG 518.A NH1 ARG 340.A O no hydrogen 2.760 N/A ARG 518.A NH1 ILE 361.A O no hydrogen 3.007 N/A ARG 518.A NH2 ARG 340.A O no hydrogen 2.968 N/A ARG 518.A NH2 GLU 346.A OE1 no hydrogen 3.484 N/A ARG 518.A NH2 GLU 346.A OE2 no hydrogen 2.923 N/A VAL 519.A N ALA 515.A O no hydrogen 3.079 N/A LEU 520.A N TYR 516.A O no hydrogen 2.956 N/A LEU 521.A N ASP 517.A O no hydrogen 2.878 N/A SER 522.A N ARG 518.A O no hydrogen 2.947 N/A SER 522.A OG ARG 518.A O no hydrogen 2.829 N/A GLY 523.A N LEU 520.A O no hydrogen 3.198 N/A PHE 524.A N LEU 521.A O no hydrogen 3.107 N/A VAL 527.A N PHE 287.A O no hydrogen 2.691 N/A LEU 529.A N ASN 285.A O no hydrogen 2.830 N/A HIS 531.A N THR 324.A O no hydrogen 2.922 N/A HIS 531.A ND1 THR 326.A OG1 no hydrogen 2.787 N/A HIS 531.A NE2 GLU 332.A OE1 no hydrogen 2.535 N/A SER 533.A OG GLU 332.A OE1 no hydrogen 2.772 N/A GLN 535.A N LEU 276.A O no hydrogen 2.714 N/A GLN 535.A NE2 ASP 250.A OD1 no hydrogen 2.860 N/A ILE 537.A N GLU 274.A O no hydrogen 2.932 N/A ALA 538.A N ARG 249.A O no hydrogen 2.966 N/A HIS 539.A N ALA 272.A O no hydrogen 2.866 N/A HIS 539.A ND1 SER 540.A O no hydrogen 2.793 N/A HIS 539.A NE2 GLU 274.A OE2 no hydrogen 2.932 N/A SER 540.A N ASP 247.A O no hydrogen 2.893 N/A THR 541.A N ARG 270.A O no hydrogen 2.934 N/A THR 541.A OG1 GLY 269.A O no hydrogen 2.765 N/A THR 541.A OG1 ARG 270.A O no hydrogen 3.023 N/A ASP 542.A N SER 540.A OG no hydrogen 2.985 N/A ILE 543.A N SER 540.A O no hydrogen 3.498 N/A VAL 544.A N TRP 565.A O no hydrogen 2.855 N/A ARG 545.A NH1 GLU 274.A OE2 no hydrogen 2.459 N/A ARG 545.A NH2 GLU 274.A OE1 no hydrogen 2.871 N/A ARG 551.A N ASP 68.A OD1 no hydrogen 2.935 N/A ARG 551.A NE GLU 279.A OE2 no hydrogen 2.600 N/A ARG 551.A NH2 GLU 279.A OE1 no hydrogen 2.696 N/A ARG 551.A NH2 GLU 279.A OE2 no hydrogen 3.290 N/A TYR 552.A N GLN 67.A O no hydrogen 2.942 N/A GLY 553.A N ASN 280.A OD1 no hydrogen 2.932 N/A ILE 556.A N GLN 535.A OE1 no hydrogen 2.790 N/A LEU 561.A N GLY 558.A O no hydrogen 3.164 N/A GLU 562.A N GLU 562.A OE1 no hydrogen 2.844 N/A TRP 564.A N LEU 561.A O no hydrogen 2.944 N/A TRP 565.A N VAL 544.A O no hydrogen 2.877 N/A LYS 567.A N ASP 542.A O no hydrogen 2.843 N/A LYS 567.A NZ THR 541.A O no hydrogen 2.881 N/A