Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2bhy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 GLU 275.A OE1 no hydrogen 2.610 N/A THR 4.A OG1 GLU 275.A OE2 no hydrogen 3.514 N/A GLN 5.A N GLU 275.A OE2 no hydrogen 3.007 N/A HIS 6.A N THR 4.A OG1 no hydrogen 3.005 N/A HIS 6.A NE2 THR 239.A OG1 no hydrogen 2.917 N/A ARG 9.A N.A ASP 7.A OD1 no hydrogen 2.914 N/A ARG 9.A N.B ASP 7.A OD1 no hydrogen 2.945 N/A THR 10.A N ASP 7.A O no hydrogen 3.015 N/A THR 10.A OG1 ASP 7.A O no hydrogen 3.327 N/A ARG 11.A N PRO 8.A O no hydrogen 3.289 N/A GLY 13.A N ARG 26.A O no hydrogen 2.884 N/A THR 15.A N ARG 24.A O no hydrogen 2.946 N/A LEU 17.A N GLY 22.A O no hydrogen 2.794 N/A ALA 21.A N PRO 18.A O no hydrogen 3.249 N/A THR 23.A N LEU 57.A O no hydrogen 2.884 N/A THR 23.A OG1 VAL 59.A O no hydrogen 2.730 N/A ARG 24.A N THR 15.A O no hydrogen 2.922 N/A ARG 24.A NE GLU 56.A OE2 no hydrogen 2.940 N/A ARG 24.A NH2 GLU 56.A OE2 no hydrogen 2.932 N/A PHE 25.A N LEU 55.A O no hydrogen 2.826 N/A ARG 26.A N GLY 13.A O no hydrogen 2.828 N/A ARG 26.A NE THR 10.A O no hydrogen 3.029 N/A ARG 26.A NH1 GLU 54.A OE2 no hydrogen 2.841 N/A LEU 27.A N TYR 53.A O no hydrogen 3.041 N/A THR 29.A N GLY 51.A O no hydrogen 2.844 N/A THR 29.A OG1 TYR 212.A O no hydrogen 2.691 N/A SER 30.A N TYR 212.A O no hydrogen 3.031 N/A THR 31.A N THR 29.A OG1 no hydrogen 3.372 N/A ALA 32.A N THR 29.A OG1 no hydrogen 3.125 N/A ARG 33.A N ASP 70.A OD1 no hydrogen 2.728 N/A THR 34.A N ASP 70.A OD1 no hydrogen 3.028 N/A ALA 36.A N VAL 68.A O no hydrogen 3.019 N/A VAL 37.A N HIS 44.A O no hydrogen 2.865 N/A ARG 38.A N LEU 66.A O no hydrogen 2.893 N/A ARG 38.A NH2 GLU 89.A OE2 no hydrogen 2.905 N/A VAL 39.A N THR 42.A O no hydrogen 2.825 N/A ASN 40.A N ARG 64.A O no hydrogen 2.781 N/A THR 42.A N VAL 39.A O no hydrogen 2.999 N/A HIS 44.A N VAL 37.A O no hydrogen 2.798 N/A THR 46.A N GLU 54.A O no hydrogen 2.846 N/A LEU 48.A N ILE 52.A O no hydrogen 2.857 N/A ILE 52.A N GLY 49.A O no hydrogen 3.211 N/A TYR 53.A N LEU 27.A O no hydrogen 2.927 N/A GLU 54.A N THR 46.A O no hydrogen 2.954 N/A LEU 55.A N PHE 25.A O no hydrogen 2.940 N/A LEU 57.A N THR 23.A O no hydrogen 3.049 N/A GLY 62.A N VAL 92.A O no hydrogen 2.915 N/A ALA 63.A N GLY 60.A O no hydrogen 3.051 N/A ARG 64.A N ASN 40.A OD1 no hydrogen 2.998 N/A ARG 64.A NE ALA 90.A O no hydrogen 3.345 N/A ARG 64.A NH2 ASP 84.A OD2 no hydrogen 2.884 N/A ARG 64.A NH2 GLU 89.A O no hydrogen 3.022 N/A TYR 65.A N ALA 90.A O no hydrogen 2.947 N/A TYR 65.A OH ASP 76.A OD2 no hydrogen 2.628 N/A LEU 66.A N ARG 38.A O no hydrogen 3.127 N/A PHE 67.A N THR 74.A O no hydrogen 3.022 N/A VAL 68.A N ALA 36.A O no hydrogen 2.766 N/A LEU 69.A N VAL 72.A O no hydrogen 3.007 N/A ASP 70.A N THR 34.A O no hydrogen 2.926 N/A VAL 72.A N LEU 69.A O no hydrogen 2.898 N/A THR 74.A N PHE 67.A O no hydrogen 2.745 N/A THR 74.A OG1 VAL 72.A O no hydrogen 2.867 N/A TYR 78.A N ASP 76.A OD1 no hydrogen 2.909 N/A TYR 78.A OH TYR 216.A OH no hydrogen 2.710 N/A ALA 79.A N ASP 76.A O no hydrogen 2.907 N/A ARG 80.A NH1 TYR 78.A O no hydrogen 2.821 N/A GLY 85.A N LEU 82.A O no hydrogen 3.018 N/A HIS 87.A ND1 TYR 208.A OH no hydrogen 2.529 N/A HIS 87.A NE2 SER 205.A OG no hydrogen 3.006 N/A GLY 88.A N GLY 85.A O no hydrogen 3.184 N/A ALA 90.A N TYR 65.A O no hydrogen 2.808 N/A GLU 91.A N PHE 81.A O no hydrogen 2.945 N/A VAL 92.A N ALA 63.A O no hydrogen 2.914 N/A GLY 96.A N ASP 94.A OD1 no hydrogen 2.925 N/A THR 97.A OG1.A ASP 94.A O no hydrogen 3.419 N/A TRP 100.A N PHE 98.A O no hydrogen 3.253 N/A THR 101.A N ASP 184.A OD1 no hydrogen 2.766 N/A THR 101.A OG1 ASP 184.A OD1 no hydrogen 3.328 N/A THR 101.A OG1 ASP 184.A OD2 no hydrogen 2.629 N/A TRP 105.A N ASP 102.A O no hydrogen 3.078 N/A TRP 105.A NE1 ASP 251.A OD1 no hydrogen 2.798 N/A ASP 112.A N LYS 109.A O no hydrogen 2.946 N/A CYS 113.A N LEU 110.A O no hydrogen 2.940 N/A CYS 113.A SG LYS 109.A O no hydrogen 3.503 N/A VAL 114.A N THR 145.A OG1 no hydrogen 2.855 N/A PHE 115.A N PRO 415.A O no hydrogen 2.942 N/A TYR 116.A N ALA 146.A O no hydrogen 2.833 N/A TYR 116.A OH GLU 422.A OE1 no hydrogen 3.268 N/A TYR 116.A OH GLU 422.A OE2 no hydrogen 2.680 N/A GLU 117.A N LEU 417.A O no hydrogen 2.807 N/A VAL 118.A N.A GLN 148.A O no hydrogen 2.848 N/A VAL 118.A N.B GLN 148.A O no hydrogen 2.875 N/A HIS 119.A N GLN 419.A OE1 no hydrogen 2.938 N/A HIS 119.A ND1 THR 122.A OG1 no hydrogen 2.916 N/A HIS 119.A NE2 GLY 159.A O no hydrogen 2.756 N/A THR 122.A N HIS 119.A ND1 no hydrogen 3.165 N/A THR 122.A N HIS 119.A O no hydrogen 3.180 N/A THR 122.A OG1 HIS 119.A ND1 no hydrogen 2.916 N/A THR 122.A OG1 HIS 119.A O no hydrogen 3.492 N/A PHE 123.A N HIS 119.A O no hydrogen 2.947 N/A GLU 126.A N GLU 126.A OE1 no hydrogen 2.839 N/A GLY 127.A N THR 124.A OG1 no hydrogen 2.957 N/A TYR 129.A N TYR 174.A O no hydrogen 2.965 N/A ARG 130.A NE ASP 179.A OD1 no hydrogen 2.787 N/A ARG 130.A NH2 ASP 179.A OD1 no hydrogen 3.104 N/A ALA 131.A N THR 128.A OG1 no hydrogen 3.210 N/A ALA 132.A N THR 128.A O no hydrogen 3.021 N/A ALA 133.A N TYR 129.A O no hydrogen 2.848 N/A GLU 134.A N ALA 131.A O no hydrogen 3.198 N/A LYS 135.A N ALA 132.A O no hydrogen 2.946 N/A LEU 136.A N ALA 133.A O no hydrogen 3.135 N/A TYR 138.A OH GLU 422.A OE2 no hydrogen 2.615 N/A LEU 139.A N LYS 135.A O no hydrogen 3.100 N/A LYS 140.A N LEU 136.A O no hydrogen 2.900 N/A LYS 140.A NZ LEU 189.A O no hydrogen 2.712 N/A GLU 141.A N PRO 137.A O no hydrogen 2.974 N/A LEU 142.A N TYR 138.A O no hydrogen 2.834 N/A GLY 143.A N LEU 139.A O no hydrogen 3.192 N/A THR 145.A N VAL 114.A O no hydrogen 3.032 N/A THR 145.A OG1 ASP 112.A O no hydrogen 2.809 N/A ALA 146.A N VAL 114.A O no hydrogen 3.091 N/A ILE 147.A N.A GLY 192.A O no hydrogen 2.864 N/A ILE 147.A N.B GLY 192.A O no hydrogen 2.868 N/A ILE 147.A N.C GLY 192.A O no hydrogen 2.844 N/A GLN 148.A N TYR 116.A O no hydrogen 2.792 N/A GLN 148.A NE2 VAL 149.A O no hydrogen 3.461 N/A VAL 149.A N PHE 194.A O no hydrogen 2.851 N/A ALA 153.A N ALA 169.A O no hydrogen 2.813 N/A GLY 156.A N ASP 155.A OD1 no hydrogen 3.075 N/A GLN 157.A N ASP 434.A OD2 no hydrogen 2.777 N/A ARG 158.A NH2 GLN 457.A O no hydrogen 2.956 N/A TRP 160.A NE1 GLN 430.A O no hydrogen 2.994 N/A TYR 162.A OH ASP 196.A OD2 no hydrogen 2.562 N/A GLY 164.A N GLY 161.A O no hydrogen 3.132 N/A ALA 165.A N ALA 153.A O no hydrogen 2.799 N/A ALA 166.A N ALA 153.A O no hydrogen 3.258 N/A PHE 167.A N TYR 237.A OH no hydrogen 3.291 N/A TYR 168.A OH TYR 237.A O no hydrogen 2.546 N/A ALA 169.A N ALA 166.A O no hydrogen 3.247 N/A TYR 171.A N LEU 151.A O no hydrogen 2.766 N/A TYR 171.A OH GLY 156.A O no hydrogen 2.675 N/A TYR 174.A N TYR 171.A O no hydrogen 3.076 N/A GLY 175.A N ALA 172.A O no hydrogen 2.952 N/A ARG 176.A N ASP 179.A OD2 no hydrogen 2.863 N/A ARG 176.A NE GLU 178.A OE1.A no hydrogen 2.861 N/A ARG 176.A NH1 GLU 91.A OE1 no hydrogen 2.971 N/A ARG 176.A NH2 GLU 91.A OE2 no hydrogen 2.854 N/A GLU 178.A N.A GLU 178.A OE2.A no hydrogen 2.987 N/A ASP 179.A N ARG 176.A O no hydrogen 2.915 N/A LEU 180.A N ARG 176.A O no hydrogen 3.286 N/A LEU 182.A N ASP 179.A O no hydrogen 3.111 N/A VAL 183.A N LEU 180.A O no hydrogen 3.065 N/A ALA 185.A N ALA 181.A O no hydrogen 2.937 N/A ALA 186.A N LEU 182.A O no hydrogen 2.994 N/A HIS 187.A N VAL 183.A O no hydrogen 2.959 N/A HIS 187.A ND1 ASP 102.A OD2 no hydrogen 2.740 N/A HIS 187.A NE2 ASP 251.A OD2 no hydrogen 2.711 N/A ARG 188.A N.A ASP 184.A O no hydrogen 2.956 N/A ARG 188.A N.B ASP 184.A O no hydrogen 2.967 N/A ARG 188.A NH1.A THR 101.A OG1 no hydrogen 3.233 N/A LEU 189.A N ALA 185.A O no hydrogen 3.246 N/A LEU 189.A N ALA 186.A O no hydrogen 3.065 N/A GLY 190.A N HIS 187.A O no hydrogen 2.917 N/A LEU 191.A N ALA 186.A O no hydrogen 2.903 N/A GLY 192.A N THR 145.A O no hydrogen 2.950 N/A VAL 193.A N ASP 251.A OD2 no hydrogen 2.874 N/A PHE 194.A N ILE 147.A O.A no hydrogen 2.810 N/A PHE 194.A N ILE 147.A O.B no hydrogen 2.796 N/A PHE 194.A N ILE 147.A O.C no hydrogen 2.732 N/A LEU 195.A N GLY 252.A O no hydrogen 3.038 N/A ASP 196.A N VAL 149.A O no hydrogen 2.923 N/A VAL 197.A N ARG 254.A O no hydrogen 2.968 N/A TYR 199.A OH ASN 241.A OD1 no hydrogen 2.730 N/A ASN 200.A ND2 ASP 256.A O no hydrogen 2.839 N/A ASN 200.A ND2 ASP 256.A OD2 no hydrogen 3.186 N/A GLY 203.A N GLY 164.A O no hydrogen 2.884 N/A SER 205.A OG ASP 155.A OD2 no hydrogen 2.957 N/A TYR 208.A OH HIS 87.A ND1 no hydrogen 2.529 N/A LEU 209.A N ASN 207.A OD1 no hydrogen 3.178 N/A SER 211.A N TYR 208.A O no hydrogen 2.928 N/A TYR 212.A N LEU 209.A O no hydrogen 2.995 N/A TYR 212.A OH THR 74.A O no hydrogen 3.372 N/A TYR 212.A OH PRO 75.A O no hydrogen 2.796 N/A ALA 213.A N LEU 209.A O no hydrogen 3.025 N/A TYR 216.A N ALA 213.A O no hydrogen 3.199 N/A TYR 216.A OH TYR 78.A OH no hydrogen 2.710 N/A PHE 217.A N PRO 214.A O no hydrogen 3.062 N/A THR 218.A N GLY 227.A O.A no hydrogen 2.853 N/A THR 218.A N GLY 227.A O.B no hydrogen 2.921 N/A ARG 220.A N.A THR 218.A OG1 no hydrogen 3.054 N/A ARG 220.A N.B THR 218.A OG1 no hydrogen 3.059 N/A SER 222.A OG.B PHE 221.A O.B no hydrogen 2.775 N/A SER 222.A OG.B GLY 226.A O.A no hydrogen 3.460 N/A SER 223.A N.A GLY 226.A O.A no hydrogen 2.750 N/A SER 223.A N.C GLY 226.A O.A no hydrogen 2.755 N/A SER 223.A OG.A GLY 226.A O.A no hydrogen 3.242 N/A SER 223.A OG.C ASN 200.A O no hydrogen 3.180 N/A TRP 225.A N.A SER 223.A OG.A no hydrogen 2.980 N/A GLY 226.A N.A SER 223.A OG.A no hydrogen 2.743 N/A GLY 227.A N.A THR 218.A O no hydrogen 3.052 N/A ASP 229.A N TYR 216.A O no hydrogen 2.983 N/A TYR 230.A OH TYR 199.A O no hydrogen 2.667 N/A ALA 231.A N ASP 229.A OD1 no hydrogen 2.942 N/A GLU 232.A N ASP 229.A O no hydrogen 2.998 N/A HIS 234.A N GLU 232.A OE2 no hydrogen 2.966 N/A ARG 235.A NE GLU 271.A OE1 no hydrogen 2.908 N/A ARG 235.A NH1 TYR 230.A O no hydrogen 2.845 N/A ARG 235.A NH1 ASP 262.A OD2 no hydrogen 2.814 N/A ARG 235.A NH2 THR 266.A O no hydrogen 2.880 N/A ARG 235.A NH2 GLU 271.A OE1 no hydrogen 2.804 N/A ARG 236.A N PRO 233.A O no hydrogen 2.916 N/A ARG 236.A NH1 GLN 5.A OE1 no hydrogen 2.926 N/A TYR 237.A N HIS 234.A O no hydrogen 2.995 N/A TYR 237.A OH PRO 77.A O no hydrogen 2.771 N/A THR 239.A N ARG 235.A O no hydrogen 2.938 N/A THR 239.A OG1 HIS 6.A NE2 no hydrogen 2.917 N/A THR 239.A OG1 ARG 235.A O no hydrogen 3.429 N/A GLY 240.A N ARG 236.A O no hydrogen 2.820 N/A ASN 241.A N TYR 237.A O no hydrogen 3.218 N/A ASN 241.A ND2 PHE 167.A O no hydrogen 2.825 N/A ALA 242.A N VAL 238.A O no hydrogen 2.972 N/A ARG 243.A N THR 239.A O no hydrogen 3.101 N/A ARG 243.A NH1 GLU 275.A O no hydrogen 2.861 N/A ARG 243.A NH1 GLU 278.A OE1 no hydrogen 2.802 N/A ARG 243.A NH2 GLU 278.A OE1 no hydrogen 3.296 N/A TRP 244.A NE1 ASN 241.A OD1 no hydrogen 3.016 N/A LEU 245.A N ALA 242.A O no hydrogen 3.211 N/A ARG 246.A N ARG 243.A O no hydrogen 2.820 N/A ARG 246.A NE ASP 247.A OD1 no hydrogen 2.890 N/A ARG 246.A NH2 ASP 247.A OD2 no hydrogen 2.838 N/A HIS 249.A ND1 ASP 102.A OD2 no hydrogen 2.900 N/A PHE 250.A N TRP 244.A O no hydrogen 3.216 N/A ASP 251.A N VAL 193.A O no hydrogen 2.812 N/A LEU 253.A N LEU 284.A O no hydrogen 3.003 N/A ARG 254.A N LEU 195.A O no hydrogen 2.856 N/A ARG 254.A NH1 ASP 196.A OD1 no hydrogen 2.870 N/A ARG 254.A NH1 ASP 256.A OD1 no hydrogen 3.037 N/A LEU 255.A N LEU 286.A O.A no hydrogen 2.792 N/A LEU 255.A N LEU 286.A O.B no hydrogen 2.724 N/A ASP 256.A N VAL 197.A O no hydrogen 2.961 N/A ALA 257.A N GLU 288.A OE2 no hydrogen 2.951 N/A THR 258.A N GLU 288.A O no hydrogen 3.163 N/A THR 258.A OG1 GLU 288.A O no hydrogen 3.245 N/A THR 258.A OG1 ASP 289.A OD2 no hydrogen 2.659 N/A TYR 260.A N ALA 257.A O no hydrogen 2.985 N/A TYR 260.A OH HIS 290.A NE2 no hydrogen 2.793 N/A SER 264.A N ASP 262.A OD1 no hydrogen 3.026 N/A SER 264.A OG ASP 262.A OD1 no hydrogen 2.595 N/A ILE 268.A N ASP 262.A OD2 no hydrogen 2.808 N/A GLU 271.A N HIS 267.A O no hydrogen 3.003 N/A LEU 272.A N.A ILE 268.A O no hydrogen 2.810 N/A LEU 272.A N.B ILE 268.A O no hydrogen 2.801 N/A ALA 273.A N LEU 269.A O no hydrogen 3.129 N/A GLN 274.A N THR 270.A O no hydrogen 2.923 N/A GLU 275.A N GLU 271.A O no hydrogen 2.851 N/A ILE 276.A N.A LEU 272.A O.A no hydrogen 2.944 N/A ILE 276.A N.A LEU 272.A O.B no hydrogen 3.028 N/A ILE 276.A N.B LEU 272.A O.A no hydrogen 2.912 N/A ILE 276.A N.B LEU 272.A O.B no hydrogen 3.002 N/A HIS 277.A N.A ALA 273.A O no hydrogen 2.958 N/A HIS 277.A N.B ALA 273.A O no hydrogen 2.732 N/A GLU 278.A N GLN 274.A O no hydrogen 2.941 N/A LEU 279.A N ILE 276.A O.A no hydrogen 3.167 N/A LEU 279.A N ILE 276.A O.B no hydrogen 3.096 N/A GLY 280.A N HIS 277.A O.A no hydrogen 3.105 N/A GLY 280.A N HIS 277.A O.B no hydrogen 3.076 N/A THR 282.A OG1 HIS 106.A O no hydrogen 2.885 N/A LEU 284.A N ASP 251.A O no hydrogen 3.023 N/A LEU 285.A N.A ASP 303.A OD2 no hydrogen 2.859 N/A LEU 285.A N.B ASP 303.A OD2 no hydrogen 2.921 N/A LEU 286.A N.A LEU 253.A O no hydrogen 2.872 N/A LEU 286.A N.B LEU 253.A O no hydrogen 2.804 N/A ALA 287.A N GLY 304.A O no hydrogen 2.983 N/A GLU 288.A N LEU 255.A O no hydrogen 2.906 N/A HIS 290.A NE2 TYR 260.A OH no hydrogen 2.793 N/A ARG 291.A N ASP 289.A OD1 no hydrogen 2.983 N/A ARG 291.A NE ASP 289.A OD1 no hydrogen 3.125 N/A ARG 291.A NE ASP 289.A OD2 no hydrogen 3.320 N/A ARG 291.A NH2 ASP 289.A OD2 no hydrogen 2.858 N/A ASN 292.A ND2 ASP 309.A OD2 no hydrogen 3.033 N/A ASN 292.A ND2 TYR 346.A O no hydrogen 2.888 N/A LEU 296.A N LEU 293.A O no hydrogen 3.307 N/A VAL 297.A N PRO 294.A O no hydrogen 2.908 N/A THR 298.A N PRO 294.A O no hydrogen 3.082 N/A THR 298.A OG1 PRO 294.A O no hydrogen 3.366 N/A VAL 299.A N ASP 295.A O no hydrogen 2.821 N/A ASN 300.A N ASP 295.A O no hydrogen 2.936 N/A ASN 300.A ND2 THR 270.A OG1 no hydrogen 2.828 N/A LEU 302.A N LEU 296.A O no hydrogen 3.013 N/A ASP 303.A N LEU 285.A O.A no hydrogen 2.753 N/A ASP 303.A N LEU 285.A O.B no hydrogen 3.004 N/A ILE 305.A N ASN 371.A O no hydrogen 2.851 N/A TRP 306.A N ALA 287.A O no hydrogen 2.848 N/A THR 307.A N.A VAL 373.A O no hydrogen 3.129 N/A THR 307.A N.B VAL 373.A O no hydrogen 3.150 N/A THR 307.A OG1.A VAL 373.A O no hydrogen 3.403 N/A HIS 311.A ND1 HIS 312.A ND1.A no hydrogen 2.883 N/A HIS 311.A ND1 HIS 312.A ND1.B no hydrogen 2.956 N/A HIS 312.A N.A ASP 308.A O no hydrogen 2.886 N/A HIS 312.A N.B ASP 308.A O no hydrogen 2.878 N/A HIS 312.A ND1.A HIS 311.A ND1 no hydrogen 2.883 N/A HIS 312.A ND1.B HIS 311.A ND1 no hydrogen 2.956 N/A GLU 313.A N ASP 309.A O no hydrogen 2.903 N/A THR 314.A N PHE 310.A O no hydrogen 2.975 N/A THR 314.A OG1 PHE 310.A O no hydrogen 2.906 N/A ARG 315.A N HIS 311.A O no hydrogen 2.908 N/A ARG 315.A NH1 GLU 321.A OE2 no hydrogen 2.823 N/A ARG 315.A NH1 SER 394.A OG no hydrogen 3.008 N/A ARG 315.A NH2 SER 394.A OG no hydrogen 3.014 N/A VAL 316.A N HIS 312.A O.A no hydrogen 2.941 N/A VAL 316.A N HIS 312.A O.B no hydrogen 3.015 N/A THR 317.A N GLU 313.A O no hydrogen 3.030 N/A THR 317.A OG1 GLU 313.A O no hydrogen 2.692 N/A LEU 318.A N THR 314.A O no hydrogen 3.152 N/A THR 319.A N ARG 315.A O no hydrogen 2.866 N/A THR 319.A OG1 ARG 315.A O no hydrogen 3.127 N/A THR 319.A OG1 GLU 321.A OE2 no hydrogen 2.620 N/A GLY 320.A N VAL 316.A O no hydrogen 2.816 N/A GLU 321.A N THR 319.A OG1 no hydrogen 3.097 N/A TYR 325.A OH GLN 381.A OE1 no hydrogen 2.566 N/A TYR 326.A N GLU 323.A O no hydrogen 3.095 N/A ALA 327.A N GLY 324.A O no hydrogen 3.201 N/A GLY 328.A N TYR 325.A O no hydrogen 2.911 N/A TYR 329.A N TYR 326.A O no hydrogen 3.153 N/A TYR 329.A OH ASP 309.A OD1 no hydrogen 2.634 N/A GLY 331.A N GLU 313.A OE2 no hydrogen 2.974 N/A GLY 332.A N THR 317.A OG1 no hydrogen 2.829 N/A LEU 336.A N.A GLY 332.A O no hydrogen 2.831 N/A LEU 336.A N.B GLY 332.A O no hydrogen 2.838 N/A ALA 337.A N ALA 333.A O no hydrogen 2.921 N/A TYR 338.A N GLU 334.A O.A no hydrogen 3.075 N/A TYR 338.A N GLU 334.A O.B no hydrogen 3.131 N/A TYR 338.A N GLU 334.A O.C no hydrogen 3.213 N/A THR 339.A N ALA 335.A O no hydrogen 3.021 N/A THR 339.A OG1 GLU 313.A OE1 no hydrogen 2.658 N/A THR 339.A OG1 ALA 335.A O no hydrogen 3.261 N/A ILE 340.A N LEU 336.A O.A no hydrogen 3.026 N/A ILE 340.A N LEU 336.A O.B no hydrogen 2.967 N/A ARG 341.A N.A ALA 337.A O no hydrogen 3.011 N/A ARG 341.A N.B ALA 337.A O no hydrogen 3.040 N/A ARG 341.A NH2.A THR 507.A O no hydrogen 2.888 N/A ARG 341.A NH2.B THR 507.A O no hydrogen 3.145 N/A ARG 342.A N TYR 338.A O no hydrogen 2.957 N/A ARG 342.A NE GLU 347.A OE1 no hydrogen 2.887 N/A ARG 342.A NH2 GLU 347.A OE2 no hydrogen 2.948 N/A ARG 342.A NH2 ASP 365.A OD1 no hydrogen 3.139 N/A GLY 343.A N ILE 340.A O no hydrogen 3.132 N/A TRP 344.A NE1 HIS 362.A O no hydrogen 3.011 N/A ARG 345.A N ASP 309.A OD2 no hydrogen 2.856 N/A ARG 345.A NE GLU 313.A OE1 no hydrogen 2.753 N/A ARG 345.A NH2 GLU 313.A OE1 no hydrogen 3.285 N/A ARG 345.A NH2 ALA 335.A O no hydrogen 3.045 N/A TYR 346.A N ASP 309.A OD2 no hydrogen 3.178 N/A TYR 346.A OH GLY 328.A O no hydrogen 2.619 N/A GLU 347.A N GLN 349.A OE1.A no hydrogen 2.740 N/A GLU 347.A N GLN 349.A OE1.B no hydrogen 2.872 N/A GLY 348.A N ARG 360.A O no hydrogen 2.759 N/A GLN 349.A N.A GLN 349.A OE1.A no hydrogen 2.895 N/A GLN 349.A N.B GLN 349.A OE1.B no hydrogen 2.756 N/A GLN 349.A NE2.B ARG 345.A O no hydrogen 3.034 N/A TRP 351.A N HIS 358.A O no hydrogen 2.812 N/A TRP 351.A NE1 GLU 356.A OE1 no hydrogen 2.842 N/A GLY 355.A N GLU 357.A OE1 no hydrogen 3.063 N/A GLU 356.A N VAL 353.A O no hydrogen 2.953 N/A GLU 357.A N GLU 357.A OE1 no hydrogen 2.807 N/A HIS 358.A N TRP 351.A O no hydrogen 3.361 N/A HIS 358.A ND1 GLU 356.A O no hydrogen 2.775 N/A ARG 360.A N GLN 349.A O.A no hydrogen 2.937 N/A ARG 360.A N GLN 349.A O.B no hydrogen 2.988 N/A ARG 360.A NE HIS 290.A O no hydrogen 3.294 N/A ARG 360.A NH1 ASP 309.A OD1 no hydrogen 2.903 N/A ARG 360.A NH2 HIS 290.A O no hydrogen 2.782 N/A ARG 360.A NH2 ASP 309.A OD1 no hydrogen 3.500 N/A SER 364.A N GLU 347.A OE2 no hydrogen 2.859 N/A SER 364.A OG ARG 342.A O no hydrogen 2.556 N/A SER 364.A OG GLU 347.A OE2 no hydrogen 3.177 N/A LEU 367.A N SER 364.A O no hydrogen 2.982 N/A ALA 369.A N GLU 368.A OE1 no hydrogen 2.831 N/A ASN 371.A N GLU 368.A O no hydrogen 2.908 N/A ASN 371.A ND2 GLU 368.A O no hydrogen 3.480 N/A PHE 372.A N ALA 369.A O no hydrogen 3.165 N/A VAL 373.A N ILE 305.A O no hydrogen 2.888 N/A TYR 374.A N THR 414.A O no hydrogen 2.894 N/A TYR 374.A OH GLY 343.A O no hydrogen 2.658 N/A CYS 375.A SG GLN 377.A O no hydrogen 3.552 N/A HIS 379.A N GLU 117.A OE1 no hydrogen 2.899 N/A HIS 379.A ND1 GLU 117.A OE2 no hydrogen 2.541 N/A GLN 381.A N ASN 378.A OD1 no hydrogen 2.904 N/A ILE 382.A N ASN 378.A O no hydrogen 3.111 N/A GLY 383.A N HIS 379.A O no hydrogen 2.772 N/A ASN 384.A N.A ASP 380.A O no hydrogen 2.897 N/A ASN 384.A N.B ASP 380.A O no hydrogen 2.878 N/A ASN 384.A ND2.A ASP 380.A OD1 no hydrogen 2.941 N/A ASN 384.A ND2.B TYR 325.A OH no hydrogen 2.617 N/A ARG 385.A N ILE 382.A O no hydrogen 3.310 N/A ARG 385.A NE GLU 389.A OE1 no hydrogen 3.457 N/A ARG 385.A NE GLU 389.A OE2 no hydrogen 2.921 N/A ARG 385.A NH1 GLU 321.A OE1 no hydrogen 2.929 N/A ARG 385.A NH2 GLU 321.A OE1 no hydrogen 3.004 N/A ARG 385.A NH2 GLU 321.A OE2 no hydrogen 3.567 N/A ARG 385.A NH2 GLU 389.A OE2 no hydrogen 3.542 N/A GLY 388.A N ARG 385.A O no hydrogen 2.967 N/A GLU 389.A N GLU 389.A OE1 no hydrogen 2.891 N/A ARG 390.A N GLN 393.A OE1.A no hydrogen 2.968 N/A ARG 390.A N GLN 393.A OE1.B no hydrogen 2.873 N/A ARG 390.A NE THR 427.A O no hydrogen 2.748 N/A ARG 390.A NH1 GLN 419.A O no hydrogen 2.970 N/A ARG 390.A NH2 GLN 419.A O no hydrogen 2.877 N/A GLN 393.A N.A ARG 390.A O no hydrogen 2.885 N/A GLN 393.A N.B ARG 390.A O no hydrogen 2.884 N/A GLN 393.A NE2.A SER 426.A O no hydrogen 2.961 N/A GLN 393.A NE2.B ALA 425.A O no hydrogen 2.960 N/A GLN 393.A NE2.B THR 427.A O no hydrogen 3.638 N/A SER 394.A N LEU 391.A O no hydrogen 3.278 N/A SER 394.A OG GLU 389.A OE2 no hydrogen 2.701 N/A VAL 397.A N SER 394.A O no hydrogen 3.261 N/A THR 398.A N GLU 401.A OE1 no hydrogen 2.967 N/A GLU 401.A N THR 398.A OG1 no hydrogen 2.971 N/A TYR 402.A N THR 398.A O no hydrogen 2.999 N/A TYR 402.A OH GLN 421.A O.A no hydrogen 2.687 N/A TYR 402.A OH GLN 421.A O.B no hydrogen 2.691 N/A ARG 403.A N LEU 399.A O no hydrogen 2.934 N/A ARG 403.A NE GLU 556.A OE2 no hydrogen 2.920 N/A ARG 403.A NH1 GLU 476.A OE1 no hydrogen 2.912 N/A ARG 403.A NH1 THR 480.A OG1 no hydrogen 3.027 N/A ARG 403.A NH2 GLU 476.A OE1 no hydrogen 2.982 N/A ARG 403.A NH2 GLU 556.A OE1 no hydrogen 3.092 N/A ARG 403.A NH2 GLU 556.A OE2 no hydrogen 3.485 N/A GLY 404.A N HIS 400.A O no hydrogen 2.890 N/A ALA 405.A N GLU 401.A O no hydrogen 2.929 N/A ALA 406.A N TYR 402.A O no hydrogen 3.205 N/A ALA 407.A N ARG 403.A O no hydrogen 3.190 N/A LEU 408.A N GLY 404.A O no hydrogen 3.042 N/A LEU 409.A N ALA 405.A O no hydrogen 2.943 N/A LEU 410.A N ALA 406.A O no hydrogen 2.896 N/A THR 411.A N ALA 407.A O no hydrogen 3.192 N/A THR 411.A N LEU 408.A O no hydrogen 3.382 N/A THR 411.A OG1 ALA 407.A O no hydrogen 2.825 N/A THR 411.A OG1 LEU 408.A O no hydrogen 3.546 N/A THR 414.A N PHE 372.A O no hydrogen 2.941 N/A THR 414.A OG1 PRO 370.A O no hydrogen 2.810 N/A LEU 416.A N TYR 374.A O no hydrogen 2.915 N/A LEU 417.A N PHE 115.A O no hydrogen 2.809 N/A PHE 418.A N GLN 421.A OE1.A no hydrogen 2.969 N/A PHE 418.A N GLN 421.A OE1.B no hydrogen 2.889 N/A GLN 419.A N GLU 117.A O no hydrogen 2.916 N/A GLN 419.A NE2 THR 122.A OG1 no hydrogen 3.097 N/A GLY 420.A N TYR 116.A OH no hydrogen 3.217 N/A GLN 421.A N.A PHE 418.A O no hydrogen 2.876 N/A GLN 421.A N.B PHE 418.A O no hydrogen 2.909 N/A GLN 421.A NE2.A TYR 484.A OH no hydrogen 2.903 N/A GLN 421.A NE2.B TYR 484.A OH no hydrogen 2.689 N/A GLU 422.A N GLU 422.A OE1 no hydrogen 2.703 N/A TRP 423.A N GLY 420.A O no hydrogen 3.135 N/A TRP 423.A NE1 GLU 471.A OE2 no hydrogen 2.909 N/A ALA 424.A N GLN 421.A O.A no hydrogen 3.000 N/A ALA 424.A N GLN 421.A O.B no hydrogen 3.165 N/A ALA 425.A N GLY 420.A O no hydrogen 3.129 N/A SER 426.A N GLU 471.A OE2 no hydrogen 2.913 N/A SER 426.A OG GLU 471.A OE1 no hydrogen 2.554 N/A SER 426.A OG GLU 471.A OE2 no hydrogen 3.421 N/A PHE 429.A N GLY 388.A O no hydrogen 2.884 N/A GLN 430.A N SER 465.A OG no hydrogen 3.012 N/A GLN 430.A NE2 LEU 387.A O no hydrogen 2.990 N/A SER 433.A N PRO 456.A O no hydrogen 2.869 N/A HIS 435.A NE2 ASP 163.A OD2 no hydrogen 2.855 N/A GLY 440.A N ALA 436.A O no hydrogen 3.106 N/A GLN 441.A N GLY 437.A O no hydrogen 3.150 N/A ALA 442.A N GLU 438.A O no hydrogen 2.888 N/A VAL 443.A N LEU 439.A O no hydrogen 2.945 N/A SER 444.A N GLY 440.A O no hydrogen 3.178 N/A SER 444.A OG GLY 440.A O no hydrogen 3.473 N/A SER 444.A OG ASP 455.A OD1 no hydrogen 2.707 N/A GLU 445.A N GLN 441.A O no hydrogen 2.981 N/A GLY 446.A N ALA 442.A O no hydrogen 2.764 N/A ARG 447.A N VAL 443.A O no hydrogen 3.044 N/A ARG 447.A NH2 GLY 383.A O no hydrogen 3.003 N/A LYS 448.A N SER 444.A O no hydrogen 3.238 N/A LYS 449.A N GLU 445.A O no hydrogen 3.055 N/A GLU 450.A N GLY 446.A O no hydrogen 3.057 N/A PHE 451.A N ARG 447.A O no hydrogen 3.439 N/A GLN 457.A N ASP 455.A OD1 no hydrogen 2.926 N/A GLN 457.A NE2 SER 433.A OG no hydrogen 2.705 N/A ALA 458.A N ASP 455.A O no hydrogen 3.043 N/A GLN 460.A NE2 GLN 460.A O no hydrogen 3.693 N/A GLN 460.A NE2 ASN 464.A OD1.A no hydrogen 2.452 N/A GLN 460.A NE2 ASN 464.A OD1.B no hydrogen 3.109 N/A THR 461.A N ALA 458.A O no hydrogen 3.071 N/A THR 461.A OG1 ASP 455.A O no hydrogen 2.718 N/A LEU 463.A N GLU 459.A O no hydrogen 2.918 N/A ASN 464.A N.A GLN 460.A O no hydrogen 2.745 N/A ASN 464.A N.B GLN 460.A O no hydrogen 2.699 N/A ASN 464.A ND2.B GLN 430.A OE1 no hydrogen 3.080 N/A SER 465.A N PHE 462.A O no hydrogen 2.994 N/A SER 465.A OG THR 461.A O no hydrogen 3.035 N/A LYS 466.A N LEU 463.A O no hydrogen 3.142 N/A LYS 466.A NZ GLY 121.A O no hydrogen 2.743 N/A LYS 466.A NZ THR 124.A O no hydrogen 3.093 N/A LYS 466.A NZ PRO 125.A O no hydrogen 2.720 N/A LEU 467.A N THR 122.A O no hydrogen 3.081 N/A TRP 469.A NE1.A PHE 123.A O no hydrogen 2.879 N/A TRP 469.A NE1.B PHE 123.A O no hydrogen 2.719 N/A GLU 471.A N ASN 468.A OD1 no hydrogen 3.234 N/A ARG 472.A N TRP 469.A O.A no hydrogen 3.216 N/A ARG 472.A NH1 TRP 469.A O.A no hydrogen 2.991 N/A ARG 472.A NH1 TRP 469.A O.B no hydrogen 2.739 N/A GLU 473.A N.A ALA 470.A O no hydrogen 3.159 N/A GLU 473.A N.B ALA 470.A O no hydrogen 3.209 N/A GLY 474.A N GLU 471.A O no hydrogen 3.261 N/A HIS 477.A ND1 TRP 423.A O no hydrogen 2.824 N/A ALA 478.A N GLY 474.A O no hydrogen 3.033 N/A ARG 479.A N.A GLY 475.A O no hydrogen 3.157 N/A ARG 479.A N.B GLY 475.A O no hydrogen 3.155 N/A ARG 479.A NE.A GLU 556.A OE1 no hydrogen 3.244 N/A ARG 479.A NH2.A GLU 556.A OE1 no hydrogen 3.103 N/A ARG 479.A NH2.B GLU 556.A O no hydrogen 3.501 N/A THR 480.A N GLU 476.A O no hydrogen 2.990 N/A THR 480.A OG1 GLU 476.A O no hydrogen 2.859 N/A LEU 481.A N HIS 477.A O no hydrogen 2.980 N/A ARG 482.A N.A ALA 478.A O no hydrogen 2.890 N/A ARG 482.A N.B ALA 478.A O no hydrogen 2.935 N/A LEU 483.A N ARG 479.A O.A no hydrogen 3.122 N/A LEU 483.A N ARG 479.A O.B no hydrogen 3.164 N/A TYR 484.A N THR 480.A O no hydrogen 2.924 N/A ARG 485.A N LEU 481.A O no hydrogen 2.928 N/A ASP 486.A N ARG 482.A O.A no hydrogen 3.010 N/A ASP 486.A N ARG 482.A O.B no hydrogen 2.952 N/A LEU 487.A N LEU 483.A O no hydrogen 2.855 N/A LEU 488.A N TYR 484.A O no hydrogen 2.871 N/A ARG 489.A N.A ARG 485.A O no hydrogen 2.942 N/A ARG 489.A N.B ARG 485.A O no hydrogen 2.966 N/A ARG 489.A NH1.A ASP 486.A OD1 no hydrogen 2.855 N/A ARG 489.A NH1.B ASP 486.A OD1 no hydrogen 3.188 N/A ARG 489.A NH2.A ASP 486.A OD1 no hydrogen 3.291 N/A ARG 489.A NH2.B ASP 486.A OD1 no hydrogen 3.124 N/A LEU 490.A N.A ASP 486.A O no hydrogen 3.086 N/A LEU 490.A N.B ASP 486.A O no hydrogen 2.865 N/A ARG 491.A N LEU 487.A O no hydrogen 2.935 N/A ARG 491.A NH1 LEU 410.A O no hydrogen 2.883 N/A ARG 491.A NH1 LEU 412.A O no hydrogen 2.775 N/A ARG 491.A NH2 LEU 412.A O no hydrogen 3.179 N/A ARG 492.A N LEU 488.A O no hydrogen 3.127 N/A GLU 493.A N ARG 489.A O.A no hydrogen 2.798 N/A GLU 493.A N ARG 489.A O.B no hydrogen 2.910 N/A ASP 494.A N LEU 490.A O.A no hydrogen 2.779 N/A ASP 494.A N LEU 490.A O.B no hydrogen 2.893 N/A VAL 496.A N ASP 494.A OD2 no hydrogen 2.943 N/A LEU 497.A N ASP 494.A OD2 no hydrogen 2.988 N/A HIS 498.A N ASP 494.A O no hydrogen 3.301 N/A HIS 498.A NE2 ARG 492.A O no hydrogen 2.792 N/A ASN 499.A N VAL 496.A O no hydrogen 2.947 N/A ASN 499.A ND2 GLN 501.A O no hydrogen 3.053 N/A ARG 500.A NE ALA 111.A O no hydrogen 2.864 N/A ARG 500.A NH1 LEU 497.A O no hydrogen 2.908 N/A ARG 500.A NH1 ASN 499.A O no hydrogen 2.892 N/A ARG 500.A NH2 ALA 111.A O no hydrogen 3.281 N/A GLN 501.A N ASN 499.A OD1 no hydrogen 3.115 N/A ARG 502.A N GLU 368.A OE1 no hydrogen 2.748 N/A ARG 502.A NH1 SER 364.A O no hydrogen 3.190 N/A ARG 502.A NH1 LEU 367.A O no hydrogen 2.927 N/A ARG 502.A NH2 ARG 341.A O.A no hydrogen 2.960 N/A ARG 502.A NH2 ARG 341.A O.B no hydrogen 3.176 N/A ASN 504.A N GLN 501.A O no hydrogen 3.075 N/A ASN 504.A ND2 ASN 499.A OD1 no hydrogen 2.989 N/A LEU 505.A N ARG 502.A O no hydrogen 3.097 N/A THR 506.A N ARG 517.A O no hydrogen 2.897 N/A THR 507.A OG1 ALA 337.A O no hydrogen 2.693 N/A GLY 508.A N TRP 515.A O no hydrogen 3.020 N/A ASP 510.A N VAL 513.A O no hydrogen 2.884 N/A VAL 513.A N ASP 510.A O no hydrogen 2.964 N/A LEU 514.A N TRP 529.A O no hydrogen 2.943 N/A TRP 515.A N GLY 508.A O no hydrogen 2.952 N/A VAL 516.A N LEU 527.A O.A no hydrogen 2.894 N/A VAL 516.A N LEU 527.A O.B no hydrogen 2.842 N/A ARG 517.A N THR 506.A O no hydrogen 2.779 N/A ARG 517.A NE GLU 524.A OE2.A no hydrogen 2.757 N/A ARG 517.A NH2 GLU 524.A OE1.B no hydrogen 3.032 N/A ARG 517.A NH2 GLU 524.A OE2.A no hydrogen 2.930 N/A THR 518.A N ARG 525.A O no hydrogen 2.905 N/A VAL 519.A N ASN 504.A O no hydrogen 3.054 N/A THR 520.A N GLY 523.A O no hydrogen 2.944 N/A ALA 522.A N THR 520.A OG1 no hydrogen 3.043 N/A GLY 523.A N THR 520.A O no hydrogen 3.097 N/A ARG 525.A N THR 518.A O no hydrogen 2.934 N/A ARG 525.A NE ASP 494.A OD1 no hydrogen 2.797 N/A ARG 525.A NH1 GLU 524.A O.A no hydrogen 2.769 N/A ARG 525.A NH1 GLU 524.A O.B no hydrogen 3.096 N/A ARG 525.A NH2 ASP 494.A OD1 no hydrogen 3.173 N/A VAL 526.A N VAL 571.A O no hydrogen 2.953 N/A LEU 527.A N.A VAL 516.A O no hydrogen 2.845 N/A LEU 527.A N.B VAL 516.A O no hydrogen 2.801 N/A LEU 528.A N.A VAL 569.A O no hydrogen 2.930 N/A LEU 528.A N.B VAL 569.A O no hydrogen 2.939 N/A TRP 529.A N LEU 514.A O no hydrogen 2.876 N/A TRP 529.A NE1 GLY 566.A O no hydrogen 2.830 N/A ASN 530.A N GLU 567.A O no hydrogen 2.876 N/A ASN 530.A ND2 ASP 534.A O no hydrogen 2.853 N/A ASN 530.A ND2 LEU 563.A O no hydrogen 3.099 N/A ASN 530.A ND2 GLY 564.A O no hydrogen 3.382 N/A LEU 531.A N.A ASP 512.A O no hydrogen 2.821 N/A LEU 531.A N.B ASP 512.A O no hydrogen 2.848 N/A GLY 532.A N ASN 530.A OD1 no hydrogen 2.975 N/A ARG 536.A N LEU 563.A O no hydrogen 2.924 N/A ARG 536.A NH2 ASP 534.A OD2 no hydrogen 2.810 N/A VAL 538.A N LEU 561.A O no hydrogen 2.976 N/A GLU 540.A N ALA 537.A O no hydrogen 3.013 N/A VAL 541.A N VAL 538.A O no hydrogen 3.105 N/A LYS 542.A N ASP 510.A OD2 no hydrogen 2.809 N/A ARG 550.A N GLY 572.A O no hydrogen 3.019 N/A ARG 550.A NH1 GLY 572.A OXT no hydrogen 3.540 N/A LEU 552.A N LEU 570.A O no hydrogen 2.863 N/A LEU 553.A N.A LEU 570.A O no hydrogen 3.276 N/A LEU 553.A N.B LEU 570.A O no hydrogen 3.265 N/A HIS 554.A NE2 THR 562.A O.A no hydrogen 2.816 N/A HIS 554.A NE2 THR 562.A O.B no hydrogen 2.937 N/A THR 555.A N ALA 568.A O no hydrogen 2.919 N/A THR 555.A OG1 ALA 568.A O no hydrogen 3.252 N/A GLU 556.A N HIS 554.A ND1 no hydrogen 3.063 N/A GLY 557.A N HIS 554.A O no hydrogen 2.950 N/A ARG 558.A NE GLU 567.A OE1 no hydrogen 2.884 N/A ARG 558.A NH2 GLU 567.A OE2 no hydrogen 2.787 N/A THR 562.A N.B ASP 560.A O no hydrogen 2.889 N/A LEU 563.A N ARG 536.A O no hydrogen 2.801 N/A GLY 564.A N GLU 567.A OE1 no hydrogen 2.928 N/A GLY 566.A N ASN 530.A O no hydrogen 2.787 N/A GLU 567.A N GLY 564.A O no hydrogen 3.019 N/A ALA 568.A N THR 555.A OG1 no hydrogen 3.003 N/A VAL 569.A N LEU 528.A O.A no hydrogen 2.956 N/A VAL 569.A N LEU 528.A O.B no hydrogen 2.973 N/A LEU 570.A N LEU 553.A O.A no hydrogen 2.830 N/A LEU 570.A N LEU 553.A O.B no hydrogen 2.830 N/A VAL 571.A N VAL 526.A O no hydrogen 2.941 N/A GLY 572.A N ARG 550.A O no hydrogen 2.924 N/A