Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3t0u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 11.A N HIS 8.A O no hydrogen 2.965 N/A SER 14.A N GLU 17.A OE1 no hydrogen 3.012 N/A SER 14.A OG GLU 17.A OE1 no hydrogen 3.541 N/A GLU 17.A N SER 14.A OG no hydrogen 2.971 N/A ILE 18.A N SER 14.A O no hydrogen 2.937 N/A LYS 19.A N THR 15.A O no hydrogen 2.951 N/A LYS 19.A NZ ASP 340.A OD1 no hydrogen 2.699 N/A ALA 20.A N ALA 16.A O no hydrogen 2.929 N/A ALA 21.A N GLU 17.A O no hydrogen 2.883 N/A THR 22.A N ILE 18.A O no hydrogen 2.950 N/A THR 22.A OG1 ILE 18.A O no hydrogen 3.510 N/A THR 22.A OG1 LYS 19.A O no hydrogen 3.318 N/A THR 22.A OG1 GLY 339.A O no hydrogen 2.617 N/A ASN 23.A N LYS 19.A O no hydrogen 2.841 N/A THR 24.A N ALA 20.A O no hydrogen 3.070 N/A THR 24.A OG1 ALA 20.A O no hydrogen 2.810 N/A VAL 25.A N ALA 21.A O no hydrogen 2.970 N/A LYS 26.A N THR 22.A O no hydrogen 2.928 N/A LYS 26.A NZ ALA 338.A O no hydrogen 2.807 N/A SER 27.A N ASN 23.A O no hydrogen 3.017 N/A SER 27.A OG ASN 23.A O no hydrogen 3.300 N/A TYR 28.A N THR 24.A O no hydrogen 2.929 N/A PHE 29.A N VAL 25.A O no hydrogen 2.925 N/A LYS 32.A N PHE 29.A O no hydrogen 3.028 N/A SER 35.A N LEU 69.A O no hydrogen 2.893 N/A PHE 36.A N ARG 337.A O no hydrogen 2.875 N/A ASN 37.A N VAL 67.A O no hydrogen 2.739 N/A ASN 37.A ND2 ILE 100.A O no hydrogen 2.788 N/A THR 38.A N VAL 67.A O no hydrogen 3.230 N/A THR 38.A OG1 ASN 37.A OD1 no hydrogen 2.702 N/A THR 40.A N TYR 65.A O no hydrogen 2.905 N/A ARG 42.A N LEU 63.A O no hydrogen 2.978 N/A ARG 46.A N ASP 562.A OD1 no hydrogen 2.968 N/A ARG 46.A NE ASP 450.A OD1 no hydrogen 3.114 N/A ARG 46.A NE ASP 450.A OD2 no hydrogen 3.005 N/A ARG 46.A NH2 ASP 450.A OD1 no hydrogen 2.981 N/A TYR 49.A N ALA 45.A O no hydrogen 2.962 N/A TYR 49.A OH HIS 8.A NE2 no hydrogen 3.145 N/A TYR 49.A OH ASP 265.A OD2 no hydrogen 2.586 N/A ILE 50.A N ARG 46.A O no hydrogen 2.996 N/A GLN 51.A N LYS 47.A O no hydrogen 2.956 N/A TRP 52.A N ALA 48.A O no hydrogen 3.005 N/A LYS 53.A N TYR 49.A O no hydrogen 2.854 N/A LYS 53.A NZ ASP 265.A OD1 no hydrogen 3.203 N/A LYS 53.A NZ ASP 265.A OD2 no hydrogen 2.902 N/A GLU 54.A N ILE 50.A O no hydrogen 2.860 N/A GLN 55.A N GLN 51.A O no hydrogen 2.841 N/A GLY 57.A N GLN 51.A O no hydrogen 2.934 N/A ARG 62.A NE GLU 17.A OE2 no hydrogen 2.771 N/A ARG 62.A NH1 ASP 11.A O no hydrogen 2.857 N/A ARG 62.A NH2 ASP 11.A O no hydrogen 2.899 N/A ARG 62.A NH2 PRO 12.A O no hydrogen 3.193 N/A ARG 62.A NH2 GLU 17.A OE1 no hydrogen 2.829 N/A ARG 62.A NH2 GLU 17.A OE2 no hydrogen 3.556 N/A ALA 64.A N VAL 81.A O no hydrogen 2.931 N/A TYR 65.A N THR 40.A O no hydrogen 2.815 N/A TYR 65.A OH GLU 78.A OE1 no hydrogen 2.670 N/A TYR 66.A N GLY 79.A O no hydrogen 2.973 N/A TYR 66.A OH THR 91.A OG1 no hydrogen 3.423 N/A VAL 67.A N THR 38.A O no hydrogen 2.920 N/A ILE 68.A N LYS 77.A O no hydrogen 2.832 N/A LEU 69.A N SER 35.A O no hydrogen 2.914 N/A ALA 71.A N LYS 33.A O no hydrogen 3.032 N/A LYS 73.A N GLU 70.A O no hydrogen 2.952 N/A VAL 76.A N LEU 94.A O no hydrogen 2.975 N/A LYS 77.A N ILE 68.A O no hydrogen 2.984 N/A LYS 77.A NZ GLU 70.A OE1 no hydrogen 2.490 N/A GLU 78.A N ARG 92.A O no hydrogen 2.865 N/A GLY 79.A N TYR 66.A O no hydrogen 3.024 N/A LEU 80.A N GLU 90.A O no hydrogen 2.948 N/A VAL 81.A N ALA 64.A O no hydrogen 2.811 N/A ASP 82.A N SER 87.A O no hydrogen 2.806 N/A LEU 83.A N ARG 62.A O no hydrogen 3.059 N/A SER 85.A N ASP 82.A OD2 no hydrogen 2.986 N/A SER 85.A OG ASP 82.A OD2 no hydrogen 2.696 N/A SER 85.A OG SER 87.A OG.A no hydrogen 2.600 N/A SER 85.A OG SER 87.A OG.B no hydrogen 3.175 N/A LEU 86.A N LEU 83.A O no hydrogen 3.275 N/A SER 87.A N ASP 82.A O no hydrogen 3.202 N/A SER 87.A OG.A SER 85.A OG no hydrogen 2.600 N/A SER 87.A OG.B SER 85.A O no hydrogen 2.763 N/A SER 87.A OG.B SER 85.A OG no hydrogen 3.175 N/A ILE 89.A N LEU 80.A O no hydrogen 2.831 N/A THR 91.A OG1 TYR 66.A OH no hydrogen 3.423 N/A ARG 92.A N GLU 78.A O no hydrogen 2.825 N/A ARG 92.A NE GLU 78.A OE2 no hydrogen 2.885 N/A ARG 92.A NH2 GLU 78.A OE2 no hydrogen 3.125 N/A LEU 94.A N VAL 76.A O no hydrogen 2.771 N/A GLN 98.A NE2 THR 151.A O no hydrogen 2.972 N/A LEU 101.A N GLU 307.A O no hydrogen 2.869 N/A THR 102.A N ASP 105.A OD1 no hydrogen 2.940 N/A ASP 105.A N THR 102.A OG1 no hydrogen 3.158 N/A LEU 106.A N THR 102.A O no hydrogen 3.030 N/A CYS 107.A N VAL 103.A O no hydrogen 2.769 N/A SER 108.A OG ASP 105.A O no hydrogen 2.820 N/A THR 109.A N LEU 106.A O no hydrogen 3.417 N/A THR 109.A OG1 LEU 106.A O no hydrogen 3.525 N/A THR 109.A OG1 GLN 156.A OE1 no hydrogen 2.726 N/A ILE 113.A N THR 109.A O no hydrogen 2.982 N/A ARG 114.A N GLU 110.A O no hydrogen 2.916 N/A ARG 114.A NE MET 133.A O no hydrogen 3.282 N/A ARG 114.A NE VAL 136.A O no hydrogen 2.765 N/A ARG 114.A NH2 VAL 136.A O no hydrogen 2.874 N/A ASN 115.A N GLU 111.A O no hydrogen 3.319 N/A ASN 115.A ND2 GLU 111.A O no hydrogen 2.747 N/A ASP 116.A N ILE 113.A O no hydrogen 3.276 N/A VAL 119.A N ASP 116.A OD2 no hydrogen 2.905 N/A ILE 120.A N ASP 116.A O no hydrogen 2.876 N/A GLU 121.A N PRO 117.A O no hydrogen 2.976 N/A GLN 122.A N ALA 118.A O no hydrogen 3.139 N/A CYS 123.A N VAL 119.A O no hydrogen 2.955 N/A CYS 123.A SG VAL 119.A O no hydrogen 3.495 N/A VAL 124.A N ILE 120.A O no hydrogen 2.995 N/A LEU 125.A N GLU 121.A O no hydrogen 2.974 N/A SER 126.A N GLN 122.A O no hydrogen 2.950 N/A SER 126.A OG GLN 122.A O no hydrogen 2.790 N/A GLY 127.A N VAL 124.A O no hydrogen 2.932 N/A ILE 128.A N CYS 123.A O no hydrogen 2.817 N/A GLU 132.A N PRO 129.A O no hydrogen 2.832 N/A LYS 135.A N GLU 132.A O no hydrogen 2.906 N/A LYS 135.A NZ GLU 132.A OE1.A no hydrogen 3.079 N/A VAL 136.A N MET 133.A O no hydrogen 3.027 N/A TYR 137.A N TYR 161.A O no hydrogen 2.828 N/A CYS 138.A N GLU 110.A OE2 no hydrogen 2.904 N/A ASP 139.A N LEU 159.A O no hydrogen 2.827 N/A TRP 141.A N GLN 157.A O no hydrogen 2.960 N/A THR 142.A N TYR 308.A OH no hydrogen 2.781 N/A THR 142.A OG1 GLU 307.A OE2 no hydrogen 3.012 N/A ILE 143.A N LEU 155.A O no hydrogen 3.472 N/A GLY 144.A N THR 142.A OG1 no hydrogen 2.946 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.766 N/A ARG 148.A N ASP 146.A OD1 no hydrogen 2.916 N/A ARG 148.A NE ASP 146.A OD1 no hydrogen 2.967 N/A ARG 148.A NE ASP 146.A OD2 no hydrogen 3.366 N/A ARG 148.A NH1 ASP 192.A OD1 no hydrogen 3.065 N/A ARG 148.A NH2 ASP 146.A OD2 no hydrogen 2.696 N/A ARG 148.A NH2 ASP 192.A OD1 no hydrogen 3.178 N/A ARG 148.A NH2 ASP 192.A OD2 no hydrogen 3.255 N/A TRP 149.A N ASP 146.A O no hydrogen 3.096 N/A GLY 150.A N ASP 146.A O no hydrogen 2.988 N/A THR 151.A OG1 THR 96.A O no hydrogen 3.043 N/A GLY 152.A N TRP 149.A O no hydrogen 2.978 N/A ARG 154.A NH1 ASP 105.A OD1 no hydrogen 3.348 N/A ARG 154.A NH1 ASP 105.A OD2 no hydrogen 3.553 N/A ARG 154.A NH1 GLU 184.A OE1 no hydrogen 2.880 N/A ARG 154.A NH2 PRO 99.A O no hydrogen 3.361 N/A ARG 154.A NH2 ASP 105.A OD1 no hydrogen 3.043 N/A LEU 155.A N GLN 574.A OE1 no hydrogen 3.001 N/A GLN 156.A N VAL 181.A O no hydrogen 2.843 N/A GLN 156.A NE2 ASP 105.A O no hydrogen 3.248 N/A GLN 156.A NE2 THR 183.A OG1 no hydrogen 3.084 N/A GLN 157.A N TRP 141.A O no hydrogen 2.938 N/A GLN 157.A NE2 THR 142.A O no hydrogen 2.882 N/A GLN 157.A NE2 ARG 299.A O no hydrogen 3.053 N/A ALA 158.A N PRO 179.A O no hydrogen 2.990 N/A LEU 159.A N ASP 139.A O no hydrogen 3.101 N/A TYR 161.A N TYR 137.A O no hydrogen 2.811 N/A TYR 161.A OH THR 416.A O no hydrogen 2.807 N/A TYR 162.A N HIS 173.A O no hydrogen 2.945 N/A ARG 163.A N LYS 135.A O no hydrogen 2.897 N/A ARG 163.A NE GLN 170.A OE1 no hydrogen 2.974 N/A ARG 163.A NH1 GLU 166.A O no hydrogen 3.035 N/A ARG 163.A NH2 GLN 170.A OE1 no hydrogen 2.953 N/A ASP 165.A N ASP 168.A OD2 no hydrogen 2.943 N/A ASP 167.A N ASP 165.A OD2 no hydrogen 2.969 N/A ASP 168.A N ASP 165.A O no hydrogen 2.958 N/A SER 169.A N ASN 207.A OD1 no hydrogen 2.855 N/A TYR 171.A OH ASP 139.A OD1 no hydrogen 3.186 N/A TYR 171.A OH ASP 139.A OD2 no hydrogen 2.552 N/A SER 172.A OG HIS 173.A ND1 no hydrogen 2.815 N/A HIS 173.A N GLN 170.A O no hydrogen 2.913 N/A HIS 173.A ND1 SER 172.A OG no hydrogen 2.815 N/A HIS 173.A NE2 HIS 203.A O no hydrogen 2.769 N/A LEU 175.A N VAL 160.A O no hydrogen 2.919 N/A CYS 178.A N ASP 192.A O no hydrogen 2.886 N/A CYS 178.A SG GLN 157.A OE1 no hydrogen 4.013 N/A CYS 178.A SG ALA 158.A O no hydrogen 3.751 N/A ILE 180.A N PHE 190.A O no hydrogen 2.761 N/A VAL 181.A N GLN 156.A O no hydrogen 2.855 N/A ASP 182.A N LYS 187.A O no hydrogen 2.793 N/A THR 183.A N ARG 154.A O no hydrogen 2.852 N/A THR 183.A OG1 ARG 154.A O no hydrogen 3.370 N/A GLU 184.A N ASP 182.A OD1 no hydrogen 3.003 N/A GLU 185.A N ASP 182.A OD1 no hydrogen 2.946 N/A LYS 186.A N ASP 182.A O no hydrogen 2.727 N/A ILE 189.A N ILE 180.A O no hydrogen 2.873 N/A ASP 192.A N CYS 178.A O no hydrogen 2.904 N/A ARG 197.A NE ASP 176.A OD1 no hydrogen 3.433 N/A ARG 197.A NE ASP 176.A OD2 no hydrogen 2.747 N/A ARG 197.A NH1 GLN 122.A OE1 no hydrogen 2.772 N/A ARG 197.A NH1 ASP 176.A OD1 no hydrogen 2.900 N/A ARG 197.A NH2 GLN 122.A OE1 no hydrogen 2.840 N/A ARG 198.A N ASP 176.A OD2 no hydrogen 2.796 N/A ARG 198.A NE.A GLU 423.A OE1 no hydrogen 3.092 N/A ARG 198.A NH1.A ARG 196.A O no hydrogen 3.282 N/A ARG 198.A NH2.A GLU 423.A OE1 no hydrogen 3.139 N/A ARG 198.A NH2.A GLU 423.A OE2 no hydrogen 2.906 N/A VAL 200.A N SER 126.A O no hydrogen 2.928 N/A SER 201.A OG HIS 203.A ND1 no hydrogen 3.242 N/A HIS 203.A N SER 201.A OG no hydrogen 3.061 N/A HIS 203.A ND1 SER 201.A OG no hydrogen 3.242 N/A LYS 204.A NZ GLU 215.A OE2 no hydrogen 3.529 N/A HIS 205.A NE2 TYR 162.A O no hydrogen 2.761 N/A ALA 206.A N SER 172.A OG no hydrogen 3.177 N/A ASN 207.A ND2 ASP 168.A OD1 no hydrogen 3.051 N/A TYR 209.A N HIS 212.A ND1 no hydrogen 3.252 N/A LYS 211.A NZ ASP 167.A OD2 no hydrogen 2.721 N/A MET 213.A N TYR 209.A O no hydrogen 2.950 N/A ILE 214.A N PRO 210.A O no hydrogen 2.913 N/A GLU 215.A N LYS 211.A O no hydrogen 3.384 N/A LYS 216.A N HIS 212.A O no hydrogen 2.939 N/A LYS 216.A NZ ASN 207.A O no hydrogen 2.880 N/A VAL 217.A N MET 213.A O no hydrogen 2.829 N/A GLY 218.A N ILE 214.A O no hydrogen 2.848 N/A GLY 234.A N GLN 231.A O no hydrogen 2.959 N/A SER 236.A N GLU 352.A OE2 no hydrogen 2.842 N/A SER 236.A OG GLU 352.A OE1 no hydrogen 2.864 N/A LYS 238.A N GLU 245.A O no hydrogen 2.928 N/A THR 240.A N VAL 243.A O no hydrogen 2.837 N/A ASN 242.A ND2 ASP 11.A OD1 no hydrogen 2.812 N/A VAL 243.A N THR 240.A O no hydrogen 3.017 N/A MET 244.A N PHE 251.A O no hydrogen 2.801 N/A GLU 245.A N LYS 238.A O no hydrogen 2.816 N/A TRP 246.A N PHE 249.A O no hydrogen 2.968 N/A TRP 246.A NE1 GLU 352.A OE1 no hydrogen 3.089 N/A ASN 248.A ND2 TYR 268.A OH no hydrogen 3.154 N/A PHE 249.A N TRP 246.A O no hydrogen 2.840 N/A LYS 250.A N SER 267.A O no hydrogen 3.001 N/A PHE 251.A N MET 244.A O no hydrogen 3.087 N/A HIS 252.A N SER 264.A O no hydrogen 2.822 N/A HIS 252.A NE2 ASP 11.A OD1 no hydrogen 2.875 N/A ILE 253.A N ASN 242.A O no hydrogen 2.822 N/A GLY 254.A N VAL 262.A O no hydrogen 2.736 N/A ASN 256.A N GLY 260.A O no hydrogen 2.920 N/A ASN 256.A ND2 GLU 259.A OE2 no hydrogen 2.997 N/A ARG 258.A N ASN 256.A OD1 no hydrogen 2.878 N/A ARG 258.A NH1 ASP 570.A O no hydrogen 2.746 N/A ARG 258.A NH2 GLY 569.A O no hydrogen 2.984 N/A ARG 258.A NH2 ASP 570.A O no hydrogen 3.360 N/A GLU 259.A N ASN 256.A OD1 no hydrogen 2.800 N/A GLY 260.A N ASN 256.A O no hydrogen 2.998 N/A ILE 261.A N GLN 383.A OE1 no hydrogen 3.047 N/A VAL 262.A N GLY 254.A O no hydrogen 2.966 N/A LEU 263.A N ILE 281.A O no hydrogen 2.947 N/A SER 264.A N HIS 252.A O no hydrogen 2.942 N/A ASP 265.A N HIS 279.A O no hydrogen 2.874 N/A VAL 266.A N PHE 278.A O no hydrogen 2.739 N/A SER 267.A N LYS 250.A O no hydrogen 2.882 N/A TYR 268.A N ARG 275.A O no hydrogen 2.835 N/A ASN 269.A N ASN 248.A O no hydrogen 2.833 N/A ASP 270.A N ASN 273.A O no hydrogen 2.858 N/A HIS 271.A NE2 ASP 641.A OD2 no hydrogen 3.226 N/A GLY 272.A N ASN 269.A OD1 no hydrogen 2.734 N/A ASN 273.A N ASP 270.A O no hydrogen 3.046 N/A ARG 275.A N TYR 268.A O no hydrogen 2.846 N/A ARG 275.A NE ASP 454.A OD1 no hydrogen 2.911 N/A ARG 275.A NH1 ASP 270.A OD2 no hydrogen 2.861 N/A ARG 275.A NH1 PHE 633.A O no hydrogen 2.962 N/A ARG 275.A NH2 ASP 454.A OD2 no hydrogen 2.905 N/A ARG 275.A NH2 PHE 633.A O no hydrogen 2.866 N/A ILE 277.A N VAL 266.A O no hydrogen 2.854 N/A PHE 278.A N VAL 266.A O no hydrogen 3.230 N/A HIS 279.A N ASP 450.A O no hydrogen 2.712 N/A ARG 280.A N ASP 450.A O no hydrogen 3.233 N/A ARG 280.A NE GLU 43.A OE1 no hydrogen 2.791 N/A ARG 280.A NH1 GLU 259.A OE1 no hydrogen 2.822 N/A ARG 280.A NH2 GLU 43.A OE1 no hydrogen 3.558 N/A ARG 280.A NH2 GLU 43.A OE2 no hydrogen 2.945 N/A ARG 280.A NH2 GLU 259.A OE1 no hydrogen 3.436 N/A ARG 280.A NH2 GLU 259.A OE2 no hydrogen 2.948 N/A ILE 281.A N LEU 263.A O no hydrogen 2.815 N/A SER 282.A N ARG 448.A O no hydrogen 3.251 N/A SER 282.A OG GLU 259.A OE1 no hydrogen 2.533 N/A SER 284.A N SER 446.A O no hydrogen 2.861 N/A SER 284.A OG SER 446.A O no hydrogen 3.005 N/A MET 286.A N GLU 285.A OE1 no hydrogen 2.973 N/A ILE 287.A N LEU 444.A O no hydrogen 2.932 N/A VAL 288.A N ALA 302.A O no hydrogen 2.833 N/A TYR 290.A N LYS 300.A O no hydrogen 3.004 N/A GLY 291.A N ASN 440.A O no hydrogen 2.838 N/A GLU 294.A N SER 292.A OG no hydrogen 3.318 N/A HIS 297.A N GLU 294.A O no hydrogen 2.796 N/A GLN 298.A N GLN 298.A OE1 no hydrogen 2.893 N/A ARG 299.A N PRO 296.A O no hydrogen 2.988 N/A ARG 299.A NE GLN 157.A OE1 no hydrogen 2.886 N/A ARG 299.A NH1 ASP 192.A OD2 no hydrogen 2.866 N/A ARG 299.A NH2 GLN 157.A OE1 no hydrogen 3.136 N/A ARG 299.A NH2 ASP 192.A OD2 no hydrogen 2.965 N/A LYS 300.A N HIS 297.A O no hydrogen 3.071 N/A LYS 300.A NZ ASN 415.A OD1 no hydrogen 2.731 N/A LYS 300.A NZ HIS 439.A ND1 no hydrogen 2.910 N/A HIS 301.A ND1 GLN 298.A O no hydrogen 2.836 N/A LEU 303.A N GLU 307.A OE1 no hydrogen 2.908 N/A GLY 306.A N GLU 285.A OE1 no hydrogen 2.872 N/A GLU 307.A N LEU 303.A O no hydrogen 2.797 N/A TYR 308.A N ASP 304.A O no hydrogen 2.944 N/A GLY 309.A N ASP 304.A O no hydrogen 2.887 N/A ALA 310.A N ARG 258.A O no hydrogen 2.786 N/A TYR 312.A N TYR 257.A O no hydrogen 2.997 N/A TYR 312.A OH ASN 37.A O no hydrogen 2.762 N/A MET 313.A N GLY 309.A O no hydrogen 2.866 N/A THR 314.A N GLY 311.A O no hydrogen 3.013 N/A THR 314.A OG1 ILE 384.A O no hydrogen 3.305 N/A ASN 315.A N ILE 384.A O no hydrogen 2.711 N/A LEU 317.A N ASN 346.A O no hydrogen 2.817 N/A GLY 320.A N LEU 317.A O no hydrogen 3.017 N/A CYS 321.A SG LEU 319.A O no hydrogen 3.807 N/A VAL 326.A N GLN 231.A OE1 no hydrogen 3.248 N/A HIS 328.A N ILE 350.A O no hydrogen 2.838 N/A LEU 330.A N VAL 348.A O no hydrogen 2.968 N/A ALA 332.A N VAL 344.A O no hydrogen 2.922 N/A HIS 333.A ND1 THR 343.A OG1 no hydrogen 3.156 N/A PHE 334.A N ILE 342.A O no hydrogen 2.906 N/A SER 335.A OG ASP 336.A O no hydrogen 2.776 N/A ASP 336.A N ASP 340.A O no hydrogen 2.804 N/A ARG 337.A N GLU 104.A OE1 no hydrogen 2.808 N/A ARG 337.A NH1.A GLU 184.A OE2 no hydrogen 3.029 N/A ARG 337.A NH2.A ASP 105.A OD2 no hydrogen 2.556 N/A ARG 337.A NH2.A GLU 184.A OE1 no hydrogen 3.020 N/A ARG 337.A NH2.A GLU 184.A OE2 no hydrogen 3.487 N/A GLY 339.A N ASP 336.A O no hydrogen 2.932 N/A ASP 340.A N ASP 336.A OD1 no hydrogen 2.904 N/A ILE 342.A N PHE 334.A O no hydrogen 2.797 N/A THR 343.A OG1 HIS 333.A ND1 no hydrogen 3.156 N/A VAL 344.A N ALA 332.A O no hydrogen 2.840 N/A LYS 345.A NZ ASP 331.A OD1 no hydrogen 3.380 N/A LYS 345.A NZ ASP 331.A OD2 no hydrogen 2.767 N/A ASN 346.A N ASP 331.A OD1 no hydrogen 2.838 N/A VAL 348.A N LEU 330.A O no hydrogen 3.111 N/A CYS 349.A N SER 382.A O no hydrogen 2.922 N/A CYS 349.A SG HIS 351.A ND1 no hydrogen 3.526 N/A ILE 350.A N HIS 328.A O no hydrogen 2.774 N/A HIS 351.A N VAL 380.A O no hydrogen 3.034 N/A HIS 351.A NE2 GLU 353.A OE2 no hydrogen 2.776 N/A GLU 353.A N LYS 378.A O no hydrogen 2.875 N/A ASP 355.A N ALA 376.A O no hydrogen 2.894 N/A GLY 356.A N ASP 354.A OD1 no hydrogen 2.952 N/A LEU 358.A N THR 374.A O no hydrogen 2.810 N/A PHE 359.A N THR 374.A O no hydrogen 3.294 N/A HIS 361.A N LEU 372.A O no hydrogen 2.986 N/A SER 362.A OG SER 371.A OG no hydrogen 2.794 N/A ASP 363.A N THR 370.A O no hydrogen 2.955 N/A ARG 365.A N ASP 363.A OD1 no hydrogen 2.920 N/A ARG 365.A NH1 ASP 363.A OD1 no hydrogen 2.887 N/A ASN 367.A N PHE 364.A O no hydrogen 2.973 N/A PHE 368.A N ASP 363.A O no hydrogen 2.932 N/A ALA 369.A N ASP 366.A O no hydrogen 3.081 N/A THR 370.A N ASP 366.A OD1 no hydrogen 2.968 N/A THR 370.A OG1 ASP 366.A OD2 no hydrogen 2.591 N/A THR 370.A OG1 THR 650.A OG1 no hydrogen 2.715 N/A SER 371.A N MET 648.A O no hydrogen 2.983 N/A SER 371.A OG SER 362.A OG no hydrogen 2.794 N/A LEU 372.A N HIS 361.A O no hydrogen 3.003 N/A VAL 373.A N TYR 646.A O no hydrogen 2.866 N/A THR 374.A N PHE 359.A O no hydrogen 3.045 N/A ARG 375.A N SER 645.A OG.B no hydrogen 3.292 N/A ARG 375.A NE ASP 354.A OD2 no hydrogen 3.257 N/A ARG 375.A NH2 ASP 354.A OD1 no hydrogen 2.670 N/A ARG 375.A NH2 ASP 354.A OD2 no hydrogen 3.288 N/A ALA 376.A N GLY 356.A O no hydrogen 2.759 N/A THR 377.A N GLN 400.A OE1 no hydrogen 3.083 N/A LYS 378.A N GLU 353.A O no hydrogen 2.855 N/A LEU 379.A N PHE 398.A O no hydrogen 3.032 N/A VAL 380.A N HIS 351.A O no hydrogen 2.801 N/A VAL 381.A N TRP 396.A O no hydrogen 2.797 N/A SER 382.A N CYS 349.A O no hydrogen 2.837 N/A SER 382.A OG CYS 349.A O no hydrogen 3.551 N/A GLN 383.A N LEU 394.A O no hydrogen 3.103 N/A GLN 383.A NE2 ALA 310.A O no hydrogen 3.150 N/A GLN 383.A NE2 THR 314.A OG1 no hydrogen 2.876 N/A PHE 385.A N TYR 392.A O no hydrogen 2.992 N/A THR 386.A N MET 313.A O no hydrogen 3.099 N/A THR 386.A OG1 ASN 315.A OD1 no hydrogen 2.910 N/A THR 386.A OG1 GLU 391.A OE1 no hydrogen 2.805 N/A ALA 387.A N TYR 390.A O no hydrogen 2.800 N/A ASN 389.A ND2 ILE 413.A O no hydrogen 2.809 N/A TYR 390.A N ALA 387.A O no hydrogen 3.082 N/A TYR 390.A OH HIS 441.A NE2 no hydrogen 2.935 N/A GLU 391.A N THR 411.A O no hydrogen 2.921 N/A TYR 392.A N PHE 385.A O no hydrogen 2.868 N/A TYR 392.A OH HIS 443.A ND1 no hydrogen 2.859 N/A CYS 393.A N ARG 409.A O no hydrogen 2.851 N/A CYS 393.A SG ARG 409.A O no hydrogen 3.540 N/A LEU 394.A N GLN 383.A O no hydrogen 2.858 N/A TYR 395.A N ASP 407.A O no hydrogen 2.847 N/A TYR 395.A OH ASP 322.A OD1 no hydrogen 2.651 N/A TRP 396.A N VAL 381.A O no hydrogen 2.795 N/A VAL 397.A N ARG 405.A O no hydrogen 2.798 N/A PHE 398.A N LEU 379.A O no hydrogen 2.842 N/A MET 399.A N ALA 403.A O no hydrogen 2.942 N/A GLY 402.A N MET 399.A O no hydrogen 3.004 N/A ALA 403.A N ASP 401.A OD1 no hydrogen 3.124 N/A ILE 404.A N LEU 628.A O no hydrogen 2.862 N/A ARG 405.A N VAL 397.A O no hydrogen 2.788 N/A ARG 405.A NE ASP 407.A OD1 no hydrogen 3.015 N/A ARG 405.A NE ASP 407.A OD2 no hydrogen 2.857 N/A ARG 405.A NH1 ASP 355.A OD2 no hydrogen 3.498 N/A ARG 405.A NH2 ASP 407.A OD2 no hydrogen 2.949 N/A LEU 406.A N LEU 626.A O no hydrogen 2.992 N/A ASP 407.A N TYR 395.A O no hydrogen 2.909 N/A ILE 408.A N ILE 624.A O no hydrogen 2.761 N/A ARG 409.A N CYS 393.A O no hydrogen 2.826 N/A LEU 410.A N GLU 622.A O no hydrogen 2.873 N/A THR 411.A N GLU 391.A O no hydrogen 2.977 N/A THR 411.A OG1 MET 619.A O no hydrogen 2.663 N/A GLY 412.A N THR 411.A OG1 no hydrogen 2.680 N/A ILE 413.A N ASN 389.A O no hydrogen 2.739 N/A THR 416.A OG1 TYR 171.A O no hydrogen 2.626 N/A TYR 417.A N ASN 437.A O no hydrogen 2.884 N/A TYR 417.A OH ASP 176.A O no hydrogen 2.643 N/A LEU 419.A N ASN 435.A O no hydrogen 2.918 N/A GLY 420.A N GLU 423.A OE1 no hydrogen 2.799 N/A GLU 423.A N GLY 420.A O no hydrogen 3.100 N/A GLY 426.A N GLU 424.A OE1.A no hydrogen 2.928 N/A THR 430.A N ALA 438.A O no hydrogen 2.925 N/A THR 430.A OG1 PRO 611.A O no hydrogen 2.597 N/A TYR 433.A OH LYS 204.A O no hydrogen 2.694 N/A ASN 435.A ND2 HIS 203.A ND1 no hydrogen 3.066 N/A VAL 436.A N TYR 433.A O no hydrogen 2.978 N/A ASN 437.A N TYR 417.A O no hydrogen 2.809 N/A ALA 438.A N THR 430.A O no hydrogen 2.920 N/A ASN 440.A N TRP 428.A O no hydrogen 2.799 N/A ASN 440.A ND2 PRO 427.A O no hydrogen 3.024 N/A HIS 441.A N HIS 609.A O no hydrogen 3.253 N/A HIS 441.A ND1 HIS 439.A O no hydrogen 2.943 N/A GLN 442.A N PRO 289.A O no hydrogen 2.994 N/A GLN 442.A NE2 PRO 535.A O no hydrogen 2.904 N/A GLN 442.A NE2 THR 608.A OG1 no hydrogen 3.026 N/A HIS 443.A N ILE 607.A O no hydrogen 2.931 N/A HIS 443.A ND1 TYR 392.A OH no hydrogen 2.859 N/A LEU 444.A N ILE 287.A O no hydrogen 2.881 N/A PHE 445.A N PHE 605.A O no hydrogen 2.834 N/A SER 446.A N GLU 285.A O no hydrogen 2.806 N/A LEU 447.A N HIS 603.A O no hydrogen 2.883 N/A ARG 448.A N SER 282.A O no hydrogen 2.856 N/A ARG 448.A NE ARG 564.A O no hydrogen 2.892 N/A ARG 448.A NH2 ARG 564.A O no hydrogen 3.110 N/A ILE 449.A N PHE 601.A O no hydrogen 2.866 N/A ASP 450.A N ARG 280.A O no hydrogen 2.802 N/A ARG 452.A N ILE 277.A O no hydrogen 2.887 N/A ARG 452.A NE ASP 456.A OD1 no hydrogen 2.659 N/A ARG 452.A NH1 GLU 54.A OE2 no hydrogen 2.752 N/A ARG 452.A NH2 GLU 54.A OE1 no hydrogen 2.710 N/A ARG 452.A NH2 GLU 54.A OE2 no hydrogen 3.258 N/A ASP 454.A N PRO 276.A O no hydrogen 2.835 N/A GLY 455.A N ARG 452.A O no hydrogen 3.079 N/A ASN 458.A N THR 597.A O no hydrogen 2.978 N/A SER 459.A N PHE 511.A O no hydrogen 2.899 N/A SER 459.A OG ASP 595.A OD1 no hydrogen 2.644 N/A ALA 461.A N ASP 509.A O no hydrogen 2.978 N/A ALA 462.A N THR 488.A O no hydrogen 3.029 N/A CYS 463.A N SER 507.A O no hydrogen 2.756 N/A ASP 464.A N GLU 486.A O no hydrogen 2.836 N/A ALA 465.A N THR 504.A O no hydrogen 2.891 N/A LYS 466.A N TYR 484.A O no hydrogen 2.914 N/A SER 468.A N ALA 482.A O no hydrogen 2.972 N/A TYR 470.A N SER 468.A OG no hydrogen 3.135 N/A GLY 473.A N ASN 477.A O no hydrogen 3.317 N/A GLY 473.A N MET 478.A O no hydrogen 2.981 N/A SER 474.A N PRO 471.A O no hydrogen 3.159 N/A SER 474.A OG PRO 471.A O no hydrogen 2.721 N/A GLU 476.A N GLU 476.A OE1 no hydrogen 2.740 N/A ASN 477.A N SER 474.A O no hydrogen 3.029 N/A ASN 477.A ND2 TYR 470.A O no hydrogen 2.953 N/A GLY 480.A N ASN 477.A O no hydrogen 2.991 N/A ALA 482.A N ASN 477.A OD1 no hydrogen 3.009 N/A TYR 484.A N LYS 466.A O no hydrogen 2.979 N/A GLU 486.A N ASP 464.A O no hydrogen 2.694 N/A THR 488.A N ALA 462.A O no hydrogen 2.823 N/A PHE 490.A N ALA 460.A O no hydrogen 2.848 N/A LYS 491.A N ASP 495.A OD2 no hydrogen 3.166 N/A LYS 491.A NZ.B THR 489.A O no hydrogen 3.457 N/A THR 492.A N ASP 495.A OD2 no hydrogen 2.927 N/A THR 492.A OG1 ASP 495.A OD2 no hydrogen 3.410 N/A THR 492.A OG1 GLY 590.A O no hydrogen 3.306 N/A VAL 493.A N GLU 592.A O no hydrogen 3.051 N/A LYS 494.A N GLY 590.A O no hydrogen 2.899 N/A SER 496.A N VAL 493.A O no hydrogen 2.935 N/A SER 496.A OG VAL 493.A O no hydrogen 2.769 N/A SER 496.A OG VAL 557.A O no hydrogen 3.374 N/A LEU 497.A N LYS 494.A O no hydrogen 3.274 N/A THR 498.A N VAL 555.A O no hydrogen 3.284 N/A THR 498.A OG1 SER 496.A O no hydrogen 2.923 N/A TYR 500.A N SER 554.A OG no hydrogen 2.958 N/A THR 504.A N GLU 501.A O no hydrogen 3.434 N/A THR 504.A OG1 ASP 464.A OD1 no hydrogen 2.573 N/A GLY 505.A N SER 502.A O no hydrogen 3.198 N/A ARG 506.A N GLU 501.A O no hydrogen 3.204 N/A ARG 506.A NE ASP 464.A OD1 no hydrogen 2.822 N/A ARG 506.A NH1 ASN 499.A O no hydrogen 2.947 N/A ARG 506.A NH2 ASP 464.A OD1 no hydrogen 3.486 N/A ARG 506.A NH2 ASP 464.A OD2 no hydrogen 2.934 N/A SER 507.A N CYS 463.A O no hydrogen 3.010 N/A TRP 508.A N LEU 528.A O no hydrogen 3.243 N/A TRP 508.A NE1 THR 498.A OG1 no hydrogen 3.004 N/A ASP 509.A N ALA 461.A O no hydrogen 2.890 N/A ILE 510.A N TYR 526.A O no hydrogen 2.868 N/A PHE 511.A N SER 459.A O no hydrogen 2.903 N/A ASN 512.A N PRO 524.A O no hydrogen 3.159 N/A ASN 512.A ND2 ILE 453.A O no hydrogen 2.899 N/A ASN 514.A N ASN 512.A OD1 no hydrogen 2.855 N/A LYS 515.A N ASN 512.A O no hydrogen 3.282 N/A LYS 515.A NZ ASP 454.A O no hydrogen 2.794 N/A ASN 517.A N LYS 522.A O no hydrogen 2.784 N/A ASN 517.A ND2 HIS 632.A O no hydrogen 2.863 N/A ASN 517.A ND2 PHE 634.A O no hydrogen 2.883 N/A TYR 519.A N ASN 517.A OD1 no hydrogen 2.916 N/A SER 520.A N ASN 517.A OD1 no hydrogen 3.058 N/A SER 520.A OG HIS 632.A ND1 no hydrogen 2.807 N/A GLY 521.A N ASN 517.A O no hydrogen 2.879 N/A LYS 522.A N SER 520.A OG no hydrogen 3.363 N/A SER 525.A N ARG 631.A O no hydrogen 3.147 N/A SER 525.A OG ARG 631.A O no hydrogen 2.765 N/A TYR 526.A N ILE 510.A O no hydrogen 2.995 N/A TYR 526.A OH GLY 402.A O no hydrogen 2.786 N/A LYS 527.A N ARG 629.A O no hydrogen 2.767 N/A LYS 527.A NZ SER 507.A OG no hydrogen 2.950 N/A LYS 527.A NZ ASP 509.A OD1 no hydrogen 2.704 N/A LEU 528.A N TRP 508.A O no hydrogen 2.717 N/A VAL 529.A N MET 627.A O no hydrogen 2.906 N/A SER 530.A OG HIS 603.A NE2 no hydrogen 2.768 N/A GLN 532.A NE2 PRO 623.A O no hydrogen 3.095 N/A CYS 533.A N THR 531.A O no hydrogen 2.928 N/A CYS 533.A SG SER 530.A O no hydrogen 3.484 N/A CYS 533.A SG SER 530.A OG no hydrogen 3.477 N/A LEU 537.A N GLN 442.A OE1 no hydrogen 3.088 N/A SER 542.A N LYS 539.A O no hydrogen 2.874 N/A SER 542.A OG LYS 539.A O no hydrogen 2.620 N/A ALA 545.A N SER 542.A OG no hydrogen 3.071 N/A LYS 546.A N SER 542.A O no hydrogen 2.848 N/A LYS 546.A NZ ASP 578.A OD1 no hydrogen 2.808 N/A LYS 546.A NZ ASP 578.A OD2 no hydrogen 3.543 N/A ARG 547.A N LEU 543.A O no hydrogen 3.021 N/A ARG 547.A NE TRP 575.A O no hydrogen 2.780 N/A ARG 547.A NH1 HIS 301.A NE2 no hydrogen 2.871 N/A ARG 547.A NH2 GLU 307.A OE2 no hydrogen 2.799 N/A ARG 547.A NH2 VAL 572.A O no hydrogen 2.880 N/A ALA 548.A N VAL 544.A O no hydrogen 3.065 N/A TRP 550.A NE1 SER 568.A OG no hydrogen 2.901 N/A ALA 551.A N ALA 548.A O no hydrogen 2.924 N/A SER 554.A N ASN 499.A OD1 no hydrogen 3.113 N/A VAL 555.A N THR 498.A O no hydrogen 2.957 N/A ASN 556.A N PHE 602.A O no hydrogen 2.929 N/A ASN 556.A ND2 TRP 550.A O no hydrogen 3.184 N/A ASN 556.A ND2 PHE 602.A O no hydrogen 3.616 N/A VAL 557.A N SER 496.A OG no hydrogen 2.916 N/A VAL 558.A N LEU 600.A O no hydrogen 2.957 N/A TYR 560.A N ASP 598.A O no hydrogen 2.925 N/A TYR 560.A OH ASP 562.A OD1 no hydrogen 2.422 N/A ARG 564.A N LYS 561.A O no hydrogen 3.385 N/A ARG 564.A NH1 PRO 559.A O no hydrogen 2.861 N/A TYR 566.A OH GLU 259.A OE2 no hydrogen 2.749 N/A SER 568.A OG ARG 547.A O no hydrogen 2.650 N/A GLY 569.A N TYR 566.A O no hydrogen 2.930 N/A HIS 571.A NE2 GLU 78.A OE1 no hydrogen 2.873 N/A GLN 574.A N GLY 144.A O no hydrogen 2.863 N/A GLN 574.A NE2 GLY 150.A O no hydrogen 2.897 N/A GLN 574.A NE2 LYS 153.A O no hydrogen 2.691 N/A TRP 575.A N VAL 572.A O no hydrogen 3.174 N/A TRP 575.A NE1 ASP 578.A O no hydrogen 2.771 N/A SER 576.A OG ASP 578.A OD2 no hydrogen 2.597 N/A ASP 578.A N SER 576.A OG no hydrogen 3.045 N/A MET 583.A N PRO 567.A O no hydrogen 2.825 N/A ARG 584.A NH1 GLY 577.A O no hydrogen 2.807 N/A ARG 584.A NH1 GLY 579.A O no hydrogen 2.896 N/A ARG 584.A NH2 LYS 546.A O no hydrogen 2.852 N/A GLU 585.A N ARG 581.A O no hydrogen 3.287 N/A TRP 586.A N GLY 582.A O no hydrogen 3.018 N/A ILE 587.A N MET 583.A O no hydrogen 2.900 N/A GLY 588.A N ARG 584.A O no hydrogen 3.070 N/A GLY 590.A N ILE 587.A O no hydrogen 2.842 N/A SER 591.A N ASP 589.A OD1 no hydrogen 2.990 N/A SER 591.A OG ASP 589.A OD1 no hydrogen 2.663 N/A SER 591.A OG ASP 589.A OD2 no hydrogen 3.450 N/A ASN 593.A ND2 ASP 595.A O no hydrogen 3.000 N/A ILE 594.A N LYS 491.A O no hydrogen 3.033 N/A ASP 595.A N ASN 593.A OD1 no hydrogen 2.973 N/A ASN 596.A N SER 459.A OG no hydrogen 2.708 N/A THR 597.A N ASN 458.A O no hydrogen 3.011 N/A ASP 598.A N THR 597.A OG1 no hydrogen 2.913 N/A LEU 600.A N VAL 558.A O no hydrogen 2.788 N/A PHE 601.A N ILE 449.A O no hydrogen 2.906 N/A PHE 602.A N ASN 556.A O no hydrogen 2.821 N/A HIS 603.A N LEU 447.A O no hydrogen 2.797 N/A HIS 603.A ND1 SER 554.A O no hydrogen 2.831 N/A HIS 603.A NE2 SER 530.A OG no hydrogen 2.768 N/A THR 604.A N SER 554.A O no hydrogen 2.748 N/A THR 604.A OG1 TRP 550.A O no hydrogen 2.838 N/A THR 604.A OG1 HIS 553.A O no hydrogen 2.970 N/A PHE 605.A N PHE 445.A O no hydrogen 3.127 N/A GLY 606.A N GLN 532.A O no hydrogen 2.896 N/A ILE 607.A N HIS 443.A O no hydrogen 2.977 N/A HIS 609.A N HIS 441.A O no hydrogen 2.795 N/A HIS 609.A NE2 ASP 615.A OD2 no hydrogen 2.849 N/A ALA 612.A N ASP 615.A OD2 no hydrogen 3.109 N/A GLU 614.A N GLU 614.A OE1 no hydrogen 2.734 N/A ASP 615.A N ALA 612.A O no hydrogen 2.985 N/A PHE 616.A N PRO 613.A O no hydrogen 2.988 N/A MET 619.A N GLY 412.A O no hydrogen 2.894 N/A GLU 622.A N LEU 410.A O no hydrogen 2.865 N/A ILE 624.A N ILE 408.A O no hydrogen 2.960 N/A THR 625.A N GLN 532.A OE1 no hydrogen 2.937 N/A THR 625.A OG1 LEU 406.A O no hydrogen 3.335 N/A THR 625.A OG1 ASP 407.A OD1 no hydrogen 2.664 N/A LEU 626.A N LEU 406.A O no hydrogen 3.078 N/A MET 627.A N VAL 529.A O no hydrogen 3.004 N/A LEU 628.A N ILE 404.A O no hydrogen 2.656 N/A ARG 629.A N LYS 527.A O no hydrogen 2.942 N/A ARG 631.A N SER 525.A O no hydrogen 2.963 N/A HIS 632.A ND1 SER 520.A OG no hydrogen 2.807 N/A GLY 639.A N ASN 637.A OD1 no hydrogen 2.881 N/A ILE 642.A N GLY 639.A O no hydrogen 3.046 N/A SER 645.A N VAL 373.A O no hydrogen 2.791 N/A SER 645.A OG.A VAL 373.A O no hydrogen 2.910 N/A TYR 646.A N VAL 373.A O no hydrogen 3.168 N/A MET 648.A N SER 371.A O no hydrogen 2.798 N/A THR 649.A N GLU 652.A OE1 no hydrogen 2.880 N/A THR 649.A OG1 SER 651.A OG no hydrogen 3.245 N/A THR 650.A OG1 THR 370.A OG1 no hydrogen 2.715 N/A SER 651.A OG THR 649.A OG1 no hydrogen 3.245 N/A GLU 652.A N THR 649.A OG1 no hydrogen 3.218 N/A ALA 653.A N THR 649.A O no hydrogen 2.903 N/A LYS 654.A N THR 650.A O no hydrogen 3.025 N/A ARG 655.A N SER 651.A O no hydrogen 2.974 N/A ALA 656.A N GLU 652.A O no hydrogen 2.976 N/A