Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gqy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 GLN 3.A OE1 no hydrogen 2.980 N/A GLN 3.A N PRO 25.A O no hydrogen 2.784 N/A GLN 4.A N SER 24.A OG no hydrogen 2.921 N/A GLN 4.A NE2 ASP 21.A O no hydrogen 2.856 N/A LEU 5.A N THR 2.A O no hydrogen 3.054 N/A ALA 8.A N GLN 4.A O no hydrogen 2.837 N/A MET 9.A N HIS 6.A O no hydrogen 3.248 N/A ALA 10.A N ALA 7.A O no hydrogen 3.238 N/A GLU 15.A N THR 12.A OG1 no hydrogen 2.979 N/A HIS 16.A N THR 12.A O no hydrogen 2.897 N/A HIS 16.A ND1 ALA 7.A O no hydrogen 2.816 N/A HIS 16.A NE2 ALA 371.A O no hydrogen 2.759 N/A MET 17.A N PHE 13.A O no hydrogen 2.849 N/A CYS 18.A N LEU 14.A O no hydrogen 2.981 N/A CYS 18.A SG LEU 14.A O no hydrogen 3.383 N/A ARG 19.A N GLU 15.A O no hydrogen 3.054 N/A ARG 19.A N HIS 16.A O no hydrogen 3.198 N/A ARG 19.A NH2 HIS 6.A O no hydrogen 2.999 N/A LEU 20.A N MET 17.A O no hydrogen 3.119 N/A ASP 21.A N GLN 4.A OE1 no hydrogen 2.852 N/A ASP 23.A N ASP 21.A OD2 no hydrogen 2.833 N/A SER 24.A N ASP 21.A O no hydrogen 2.912 N/A THR 28.A OG1 GLY 484.A O no hydrogen 3.475 N/A ARG 30.A NE HIS 362.A ND1 no hydrogen 3.014 N/A ARG 30.A NH1 THR 32.A O no hydrogen 2.750 N/A ARG 30.A NH1 ASN 57.A OD1 no hydrogen 2.796 N/A ARG 30.A NH2 GLY 55.A O no hydrogen 2.941 N/A ARG 30.A NH2 HIS 362.A ND1 no hydrogen 3.531 N/A ASN 31.A N GLU 369.A OE2 no hydrogen 2.797 N/A ASN 31.A ND2 ARG 430.A O no hydrogen 3.509 N/A THR 32.A N GLU 369.A OE1 no hydrogen 2.700 N/A THR 32.A OG1 GLU 369.A OE1 no hydrogen 2.743 N/A GLY 33.A N ASP 340.A O no hydrogen 3.039 N/A ILE 34.A N ASN 57.A OD1 no hydrogen 2.967 N/A ILE 35.A N ILE 342.A O no hydrogen 2.920 N/A CYS 36.A N VAL 58.A O no hydrogen 2.789 N/A THR 37.A N LEU 344.A O no hydrogen 2.993 N/A THR 37.A OG1 LEU 344.A O no hydrogen 2.764 N/A ILE 38.A N ARG 60.A O no hydrogen 2.937 N/A GLY 39.A N SER 42.A OG no hydrogen 3.201 N/A ALA 41.A N ALA 349.A O no hydrogen 2.921 N/A SER 42.A N GLY 39.A O no hydrogen 2.908 N/A SER 42.A OG GLY 39.A O no hydrogen 3.520 N/A SER 42.A OG THR 348.A O no hydrogen 2.620 N/A ARG 43.A NE THR 74.A OG1 no hydrogen 2.796 N/A ARG 43.A NH2 TYR 70.A O no hydrogen 2.770 N/A ARG 43.A NH2 GLU 73.A OE1 no hydrogen 3.552 N/A SER 44.A OG THR 47.A OG1 no hydrogen 2.987 N/A THR 47.A N SER 44.A OG no hydrogen 3.008 N/A THR 47.A OG1 SER 44.A OG no hydrogen 2.987 N/A LEU 48.A N SER 44.A O no hydrogen 2.911 N/A LYS 49.A N VAL 45.A O no hydrogen 3.006 N/A MET 51.A N THR 47.A O no hydrogen 2.840 N/A ILE 52.A N LEU 48.A O no hydrogen 2.961 N/A LYS 53.A N LYS 49.A O no hydrogen 3.073 N/A LYS 53.A NZ GLU 50.A OE1 no hydrogen 3.259 N/A LYS 53.A NZ GLU 50.A OE2 no hydrogen 2.675 N/A SER 54.A N GLU 50.A O no hydrogen 2.793 N/A SER 54.A OG GLU 50.A O no hydrogen 2.999 N/A GLY 55.A N MET 51.A O no hydrogen 2.994 N/A GLY 55.A N ILE 52.A O no hydrogen 3.184 N/A MET 56.A N MET 51.A O no hydrogen 2.881 N/A ASN 57.A N ILE 34.A O no hydrogen 2.949 N/A VAL 58.A N ILE 34.A O no hydrogen 3.265 N/A ALA 59.A N ALA 96.A O no hydrogen 2.870 N/A ARG 60.A N CYS 36.A O no hydrogen 2.772 N/A ARG 60.A NE ASP 100.A OD2 no hydrogen 2.804 N/A ARG 60.A NH1 THR 37.A OG1 no hydrogen 2.789 N/A ARG 60.A NH2 ASP 100.A OD2 no hydrogen 2.934 N/A LEU 61.A N ALA 98.A O no hydrogen 2.841 N/A PHE 63.A N ASP 100.A O no hydrogen 2.849 N/A SER 64.A N ASN 62.A OD1 no hydrogen 2.961 N/A SER 64.A OG ASN 62.A OD1 no hydrogen 3.186 N/A SER 64.A OG GLU 105.A OE1 no hydrogen 2.724 N/A SER 64.A OG GLU 105.A OE2 no hydrogen 3.550 N/A HIS 65.A N ASN 62.A O no hydrogen 3.391 N/A HIS 68.A NE2 ASP 211.A OD1 no hydrogen 2.749 N/A TYR 70.A N THR 67.A OG1 no hydrogen 3.224 N/A HIS 71.A N THR 67.A O no hydrogen 3.057 N/A HIS 71.A NE2 HIS 65.A O no hydrogen 2.722 N/A ALA 72.A N HIS 68.A O no hydrogen 2.760 N/A GLU 73.A N GLU 69.A O no hydrogen 3.092 N/A THR 74.A N TYR 70.A O no hydrogen 2.969 N/A THR 74.A OG1 TYR 70.A O no hydrogen 3.215 N/A ILE 75.A N HIS 71.A O no hydrogen 2.851 N/A LYS 76.A N ALA 72.A O no hydrogen 2.910 N/A ASN 77.A N GLU 73.A O no hydrogen 2.881 N/A ASN 77.A ND2 ARG 43.A O no hydrogen 3.076 N/A VAL 78.A N THR 74.A O no hydrogen 2.898 N/A ARG 79.A N ILE 75.A O no hydrogen 3.058 N/A ARG 79.A NH1 GLN 218.A O no hydrogen 2.889 N/A ARG 79.A NH2 GLN 218.A O no hydrogen 2.735 N/A THR 80.A N LYS 76.A O no hydrogen 2.925 N/A THR 80.A OG1 LYS 76.A O no hydrogen 3.016 N/A ALA 81.A N ASN 77.A O no hydrogen 2.904 N/A THR 82.A N VAL 78.A O no hydrogen 2.806 N/A THR 82.A OG1 VAL 78.A O no hydrogen 2.730 N/A GLU 83.A N ARG 79.A O no hydrogen 2.861 N/A SER 84.A N THR 80.A O no hydrogen 3.058 N/A SER 84.A N ALA 81.A O no hydrogen 3.307 N/A SER 84.A OG ALA 81.A O no hydrogen 2.704 N/A PHE 85.A N THR 82.A O no hydrogen 3.291 N/A ALA 86.A N GLU 83.A O no hydrogen 3.093 N/A ILE 90.A N ASP 88.A OD1 no hydrogen 3.126 N/A LEU 91.A N ASP 88.A O no hydrogen 3.034 N/A TYR 92.A N ASP 88.A O no hydrogen 3.017 N/A TYR 92.A OH GLU 83.A OE2 no hydrogen 2.591 N/A ALA 96.A N ASN 57.A O no hydrogen 2.975 N/A VAL 97.A N ASP 221.A OD2 no hydrogen 2.842 N/A ALA 98.A N ALA 59.A O no hydrogen 2.850 N/A LEU 99.A N MET 222.A O no hydrogen 2.994 N/A ASP 100.A N LEU 61.A O no hydrogen 2.863 N/A THR 101.A N PHE 224.A O no hydrogen 3.055 N/A LYS 102.A NZ GLU 105.A OE2 no hydrogen 2.849 N/A GLY 103.A N ASP 208.A OD1 no hydrogen 2.992 N/A GLU 105.A N GLY 103.A O no hydrogen 2.832 N/A ARG 107.A N ASP 147.A OD1 no hydrogen 2.939 N/A ARG 107.A NE LYS 189.A O no hydrogen 3.110 N/A ARG 107.A NH1 GLU 105.A OE1 no hydrogen 3.269 N/A ARG 107.A NH1 GLU 105.A OE2 no hydrogen 3.030 N/A ARG 107.A NH2 LYS 189.A O no hydrogen 2.659 N/A THR 108.A N LYS 190.A O no hydrogen 2.954 N/A GLY 109.A N TRP 145.A O no hydrogen 2.943 N/A LEU 110.A N MET 136.A O no hydrogen 3.037 N/A ILE 111.A N SER 188.A OG no hydrogen 2.649 N/A LYS 112.A N CYS 139.A O no hydrogen 2.827 N/A SER 114.A N ILE 111.A O no hydrogen 2.899 N/A VAL 119.A N LEU 186.A O no hydrogen 3.037 N/A LEU 121.A N GLY 184.A O no hydrogen 2.906 N/A GLY 124.A N VAL 180.A O no hydrogen 3.129 N/A ALA 125.A N LYS 122.A O no hydrogen 3.196 N/A THR 126.A OG1 THR 178.A O no hydrogen 3.189 N/A LEU 127.A N THR 178.A O no hydrogen 2.717 N/A LYS 128.A N ASN 142.A O no hydrogen 3.010 N/A ILE 129.A N LEU 176.A O no hydrogen 2.666 N/A THR 130.A N LEU 144.A O no hydrogen 2.924 N/A LEU 131.A N ASP 174.A O no hydrogen 3.013 N/A ASP 132.A N THR 130.A OG1 no hydrogen 2.899 N/A ALA 134.A N ASP 132.A OD1 no hydrogen 3.025 N/A TYR 135.A N ASP 132.A O no hydrogen 2.948 N/A MET 136.A N ASN 133.A O no hydrogen 3.035 N/A LYS 138.A N TYR 135.A O no hydrogen 3.045 N/A CYS 139.A N LEU 110.A O no hydrogen 2.943 N/A CYS 139.A SG TYR 135.A O no hydrogen 3.741 N/A CYS 139.A SG TRP 145.A O no hydrogen 4.023 N/A ASP 140.A N ILE 143.A O no hydrogen 2.938 N/A ASN 142.A N ASP 140.A OD1 no hydrogen 2.757 N/A ILE 143.A N ASP 140.A OD1 no hydrogen 3.022 N/A LEU 144.A N LYS 128.A O no hydrogen 2.757 N/A TRP 145.A NE1 ASN 133.A OD1 no hydrogen 2.857 N/A LEU 146.A N THR 130.A O no hydrogen 3.197 N/A ASP 147.A N ARG 107.A O no hydrogen 3.082 N/A TYR 148.A OH ASP 200.A OD1 no hydrogen 2.798 N/A ILE 151.A N TYR 148.A O no hydrogen 3.096 N/A CYS 152.A SG ALA 173.A O no hydrogen 3.973 N/A CYS 152.A SG PHE 175.A O no hydrogen 3.969 N/A VAL 154.A N ILE 151.A O no hydrogen 3.407 N/A GLU 156.A N SER 159.A OG no hydrogen 3.271 N/A GLY 158.A N VAL 172.A O no hydrogen 2.984 N/A SER 159.A N GLU 156.A O no hydrogen 3.269 N/A SER 159.A OG GLU 156.A O no hydrogen 2.880 N/A ILE 161.A N LEU 170.A O no hydrogen 2.739 N/A TYR 162.A N ASN 193.A O no hydrogen 3.134 N/A VAL 163.A N ILE 168.A O no hydrogen 2.895 N/A ASP 164.A N GLY 191.A O no hydrogen 2.797 N/A LEU 167.A N ASP 164.A O no hydrogen 3.155 N/A ILE 168.A N VAL 163.A O no hydrogen 3.057 N/A SER 169.A N ASN 182.A O no hydrogen 3.153 N/A LEU 170.A N ILE 161.A O no hydrogen 2.713 N/A GLN 171.A N GLU 179.A O no hydrogen 3.379 N/A GLN 171.A NE2 GLY 158.A O no hydrogen 3.489 N/A VAL 172.A N SER 159.A O no hydrogen 3.064 N/A LEU 176.A N ILE 129.A O no hydrogen 2.693 N/A THR 178.A N LEU 127.A O no hydrogen 2.814 N/A THR 178.A OG1 LEU 127.A O no hydrogen 2.799 N/A GLU 179.A N GLN 171.A O no hydrogen 3.366 N/A VAL 180.A N ALA 125.A O no hydrogen 2.849 N/A GLU 181.A N SER 169.A O no hydrogen 2.868 N/A ASN 182.A N SER 169.A O no hydrogen 3.219 N/A GLY 184.A N LEU 121.A O no hydrogen 3.206 N/A SER 185.A OG GLU 118.A OE1 no hydrogen 3.474 N/A LEU 186.A N VAL 119.A O no hydrogen 2.867 N/A SER 188.A OG SER 114.A O no hydrogen 2.635 N/A LYS 189.A N GLY 109.A O no hydrogen 2.874 N/A LYS 190.A N THR 108.A OG1 no hydrogen 3.071 N/A VAL 192.A N ILE 106.A O no hydrogen 2.876 N/A ASN 193.A N TYR 162.A O no hydrogen 2.844 N/A ASN 193.A ND2 ASP 279.A OD1 no hydrogen 2.900 N/A ASN 193.A ND2 GLU 283.A OE2 no hydrogen 2.835 N/A ALA 197.A N LEU 194.A O no hydrogen 3.039 N/A ASP 200.A N TYR 148.A OH no hydrogen 3.210 N/A SER 205.A N ASP 208.A OD2 no hydrogen 3.120 N/A LYS 207.A NZ PHE 63.A O no hydrogen 3.134 N/A LYS 207.A NZ ASP 211.A OD1 no hydrogen 3.542 N/A LYS 207.A NZ ASP 211.A OD2 no hydrogen 2.829 N/A ASP 208.A N SER 205.A OG no hydrogen 3.126 N/A ILE 209.A N SER 205.A O no hydrogen 2.928 N/A GLN 210.A N GLU 206.A O no hydrogen 3.031 N/A ASP 211.A N LYS 207.A O no hydrogen 2.870 N/A LEU 212.A N ASP 208.A O no hydrogen 2.830 N/A LYS 213.A N ILE 209.A O no hydrogen 3.083 N/A PHE 214.A N GLN 210.A O no hydrogen 3.073 N/A GLY 215.A N ASP 211.A O no hydrogen 2.832 N/A VAL 216.A N LEU 212.A O no hydrogen 2.930 N/A GLU 217.A N LYS 213.A O no hydrogen 2.977 N/A GLN 218.A N PHE 214.A O no hydrogen 2.772 N/A ASP 219.A N VAL 216.A O no hydrogen 3.070 N/A VAL 220.A N GLY 215.A O no hydrogen 3.190 N/A ASP 221.A N VAL 97.A O no hydrogen 2.909 N/A VAL 223.A N LYS 249.A O no hydrogen 2.806 N/A PHE 224.A N LEU 99.A O no hydrogen 2.769 N/A ALA 225.A N ILE 251.A O no hydrogen 2.879 N/A SER 226.A N THR 101.A OG1 no hydrogen 2.959 N/A SER 226.A OG THR 101.A O no hydrogen 2.592 N/A PHE 227.A N GLU 255.A OE2 no hydrogen 2.761 N/A ILE 228.A N LYS 253.A O no hydrogen 3.247 N/A ARG 229.A N ASP 233.A OD2 no hydrogen 2.916 N/A ALA 231.A N GLU 265.A OE2 no hydrogen 2.765 N/A ASP 233.A N LYS 230.A O no hydrogen 3.090 N/A HIS 235.A N ALA 231.A O no hydrogen 2.980 N/A GLU 236.A N SER 232.A O no hydrogen 3.009 N/A VAL 237.A N ASP 233.A O no hydrogen 3.162 N/A ARG 238.A N VAL 234.A O no hydrogen 2.945 N/A ARG 238.A NH1 ASP 271.A OD2 no hydrogen 2.794 N/A ARG 238.A NH2 ALA 269.A O no hydrogen 3.037 N/A ARG 238.A NH2 ASP 271.A OD2 no hydrogen 3.316 N/A LYS 239.A N HIS 235.A O no hydrogen 2.832 N/A VAL 240.A N GLU 236.A O no hydrogen 2.878 N/A LEU 241.A N VAL 237.A O no hydrogen 2.934 N/A GLY 242.A N ARG 238.A O no hydrogen 2.889 N/A GLY 245.A N LEU 241.A O no hydrogen 3.083 N/A LYS 246.A N GLU 243.A O no hydrogen 3.278 N/A LYS 246.A NZ GLU 243.A OE1 no hydrogen 3.267 N/A ILE 248.A N GLY 245.A O no hydrogen 3.092 N/A LYS 249.A N ASP 221.A O no hydrogen 3.226 N/A ILE 250.A N ASP 271.A OD2 no hydrogen 2.676 N/A ILE 251.A N VAL 223.A O no hydrogen 2.795 N/A SER 252.A N GLY 272.A O no hydrogen 3.000 N/A SER 252.A OG SER 270.A OG no hydrogen 2.684 N/A LYS 253.A N ALA 225.A O no hydrogen 2.933 N/A LYS 253.A NZ ASP 100.A OD1 no hydrogen 2.715 N/A LYS 253.A NZ ASP 100.A OD2 no hydrogen 2.984 N/A LYS 253.A NZ SER 226.A OG no hydrogen 2.744 N/A ILE 254.A N MET 274.A O no hydrogen 2.960 N/A GLY 259.A N ASN 256.A OD1 no hydrogen 2.796 N/A VAL 260.A N ASN 256.A O no hydrogen 3.267 N/A ARG 261.A N HIS 257.A O no hydrogen 2.932 N/A ARG 262.A N GLU 258.A O no hydrogen 2.927 N/A ARG 262.A NH1 GLU 258.A OE2 no hydrogen 2.959 N/A PHE 263.A N VAL 260.A O no hydrogen 3.150 N/A ILE 266.A N ARG 262.A O no hydrogen 3.183 N/A LEU 267.A N PHE 263.A O no hydrogen 2.813 N/A GLU 268.A N ASP 264.A O no hydrogen 3.119 N/A ALA 269.A N GLU 265.A O no hydrogen 3.241 N/A SER 270.A N LEU 267.A O no hydrogen 3.139 N/A SER 270.A OG SER 252.A OG no hydrogen 2.684 N/A SER 270.A OG ILE 266.A O no hydrogen 2.688 N/A ASP 271.A N ILE 250.A O no hydrogen 2.807 N/A ILE 273.A N PRO 306.A O no hydrogen 2.948 N/A MET 274.A N SER 252.A O no hydrogen 2.897 N/A VAL 275.A N ILE 308.A O no hydrogen 2.812 N/A ALA 276.A N ILE 254.A O no hydrogen 3.244 N/A ARG 277.A NE ALA 310.A O no hydrogen 2.967 N/A ARG 277.A NH1 GLN 293.A OE1 no hydrogen 2.853 N/A ARG 277.A NH1 ASP 330.A OD1 no hydrogen 2.797 N/A ARG 277.A NH1 ASP 330.A OD2 no hydrogen 3.541 N/A ARG 277.A NH2 THR 311.A O no hydrogen 3.033 N/A ARG 277.A NH2 ASP 330.A OD1 no hydrogen 3.565 N/A ARG 277.A NH2 ASP 330.A OD2 no hydrogen 2.718 N/A LEU 280.A N ALA 276.A O no hydrogen 3.280 N/A GLY 281.A N ARG 277.A O no hydrogen 2.870 N/A ILE 282.A N ASP 279.A O no hydrogen 2.891 N/A GLU 283.A N ASP 279.A O no hydrogen 2.857 N/A ILE 284.A N LEU 280.A O no hydrogen 2.929 N/A GLU 287.A N GLU 287.A OE1 no hydrogen 2.804 N/A LYS 288.A N PRO 285.A O no hydrogen 2.935 N/A VAL 289.A N ALA 286.A O no hydrogen 3.286 N/A ALA 292.A N LYS 288.A O no hydrogen 3.247 N/A GLN 293.A N VAL 289.A O no hydrogen 2.766 N/A GLN 293.A NE2 ASP 337.A OD2 no hydrogen 3.044 N/A LYS 294.A N PHE 290.A O no hydrogen 2.886 N/A LYS 294.A NZ ASP 337.A OD1 no hydrogen 2.685 N/A MET 295.A N LEU 291.A O no hydrogen 2.922 N/A MET 296.A N ALA 292.A O no hydrogen 2.955 N/A ILE 297.A N GLN 293.A O no hydrogen 2.942 N/A GLY 298.A N LYS 294.A O no hydrogen 2.933 N/A ARG 299.A N MET 295.A O no hydrogen 2.906 N/A ARG 299.A NH1 ASP 264.A OD1 no hydrogen 3.110 N/A CYS 300.A N MET 296.A O no hydrogen 2.914 N/A CYS 300.A SG MET 296.A O no hydrogen 3.223 N/A ASN 301.A N ILE 297.A O no hydrogen 2.792 N/A ASN 301.A ND2 GLY 338.A O no hydrogen 3.033 N/A ARG 302.A N GLY 298.A O no hydrogen 2.875 N/A ALA 303.A N ARG 299.A O no hydrogen 2.958 N/A GLY 304.A N ASN 301.A O no hydrogen 3.254 N/A LYS 305.A N CYS 300.A O no hydrogen 3.047 N/A LYS 305.A NZ LEU 267.A O no hydrogen 2.663 N/A LYS 305.A NZ SER 270.A O no hydrogen 2.783 N/A VAL 307.A N ASP 340.A OD2 no hydrogen 2.782 N/A ILE 308.A N ILE 273.A O no hydrogen 2.866 N/A CYS 309.A N CYS 341.A O no hydrogen 3.029 N/A ALA 310.A N VAL 275.A O no hydrogen 3.175 N/A LEU 314.A N GLU 347.A OE1 no hydrogen 3.037 N/A SER 316.A N GLU 327.A OE2 no hydrogen 2.930 N/A SER 316.A OG GLU 327.A OE1 no hydrogen 2.535 N/A SER 316.A OG GLU 327.A OE2 no hydrogen 3.499 N/A MET 317.A N LEU 314.A O no hydrogen 2.919 N/A ILE 318.A N GLU 315.A O no hydrogen 3.050 N/A LYS 319.A N SER 316.A O no hydrogen 3.097 N/A LYS 320.A N SER 316.A O no hydrogen 2.948 N/A THR 324.A N GLU 327.A OE1 no hydrogen 2.953 N/A GLU 327.A N THR 324.A OG1 no hydrogen 3.160 N/A GLY 328.A N THR 324.A O no hydrogen 3.151 N/A SER 329.A N ARG 325.A O no hydrogen 3.049 N/A ASP 330.A N ALA 326.A O no hydrogen 2.845 N/A VAL 331.A N GLU 327.A O no hydrogen 3.098 N/A ALA 332.A N GLY 328.A O no hydrogen 3.201 N/A ASN 333.A N SER 329.A O no hydrogen 2.902 N/A ASN 333.A ND2 SER 329.A O no hydrogen 3.060 N/A ALA 334.A N ASP 330.A O no hydrogen 2.958 N/A VAL 335.A N VAL 331.A O no hydrogen 3.218 N/A LEU 336.A N ALA 332.A O no hydrogen 2.954 N/A ASP 337.A N ASN 333.A O no hydrogen 2.742 N/A GLY 338.A N VAL 335.A O no hydrogen 2.945 N/A ALA 339.A N ALA 334.A O no hydrogen 3.091 N/A ASP 340.A N VAL 307.A O no hydrogen 2.918 N/A CYS 341.A N VAL 307.A O no hydrogen 3.225 N/A CYS 341.A SG HIS 447.A O no hydrogen 3.433 N/A CYS 341.A SG LEU 448.A O no hydrogen 3.729 N/A ILE 342.A N GLY 33.A O no hydrogen 2.901 N/A LEU 344.A N ILE 35.A O no hydrogen 2.835 N/A SER 345.A N GLU 347.A OE2 no hydrogen 2.814 N/A GLU 347.A N GLU 347.A OE2 no hydrogen 2.807 N/A THR 348.A N SER 345.A O no hydrogen 3.175 N/A THR 348.A OG1 THR 37.A O no hydrogen 2.756 N/A THR 348.A OG1 SER 345.A O no hydrogen 3.356 N/A ALA 349.A N SER 345.A O no hydrogen 2.904 N/A LYS 350.A N GLY 346.A O no hydrogen 3.143 N/A GLY 351.A N GLY 346.A O no hydrogen 2.968 N/A ASP 352.A N ILE 318.A O no hydrogen 2.879 N/A GLU 356.A N GLU 356.A OE1 no hydrogen 2.758 N/A ALA 357.A N TYR 353.A O no hydrogen 3.048 N/A VAL 358.A N PRO 354.A O no hydrogen 3.144 N/A ARG 359.A N LEU 355.A O no hydrogen 2.946 N/A ARG 359.A NE SER 54.A OG no hydrogen 2.956 N/A MET 360.A N GLU 356.A O no hydrogen 2.950 N/A GLN 361.A N ALA 357.A O no hydrogen 3.071 N/A GLN 361.A NE2 MET 343.A O no hydrogen 3.330 N/A HIS 362.A N VAL 358.A O no hydrogen 3.018 N/A LEU 363.A N ARG 359.A O no hydrogen 2.983 N/A ILE 364.A N MET 360.A O no hydrogen 2.985 N/A ALA 365.A N GLN 361.A O no hydrogen 2.947 N/A ARG 366.A N HIS 362.A O no hydrogen 3.228 N/A ARG 366.A NH2 THR 28.A O no hydrogen 2.914 N/A GLU 367.A N LEU 363.A O no hydrogen 3.238 N/A ALA 368.A N ILE 364.A O no hydrogen 2.905 N/A GLU 369.A N ALA 365.A O no hydrogen 2.834 N/A ALA 370.A N ARG 366.A O no hydrogen 3.380 N/A ALA 371.A N ALA 368.A O no hydrogen 2.991 N/A TYR 373.A OH ALA 10.A O no hydrogen 2.545 N/A GLN 376.A NE2 GLU 380.A OE2 no hydrogen 2.754 N/A LEU 377.A N TYR 373.A O no hydrogen 3.066 N/A PHE 378.A N HIS 374.A O no hydrogen 2.652 N/A GLU 379.A N LEU 375.A O no hydrogen 3.258 N/A GLU 380.A N GLN 376.A O no hydrogen 2.900 N/A LEU 381.A N LEU 377.A O no hydrogen 2.971 N/A ARG 382.A N PHE 378.A O no hydrogen 2.984 N/A ARG 383.A N GLU 379.A O no hydrogen 3.161 N/A LEU 384.A N GLU 380.A O no hydrogen 2.851 N/A THR 392.A N ASP 390.A OD1 no hydrogen 3.264 N/A THR 392.A OG1 ASP 390.A OD1 no hydrogen 2.672 N/A ALA 394.A N ASP 390.A O no hydrogen 3.328 N/A THR 395.A N PRO 391.A O no hydrogen 3.056 N/A THR 395.A OG1 PRO 391.A O no hydrogen 2.928 N/A ALA 396.A N THR 392.A O no hydrogen 2.998 N/A VAL 397.A N GLU 393.A O no hydrogen 3.011 N/A GLY 398.A N ALA 394.A O no hydrogen 3.004 N/A ALA 399.A N THR 395.A O no hydrogen 2.928 N/A VAL 400.A N ALA 396.A O no hydrogen 3.048 N/A GLU 401.A N VAL 397.A O no hydrogen 2.913 N/A ALA 402.A N GLY 398.A O no hydrogen 2.884 N/A SER 403.A N ALA 399.A O no hydrogen 2.879 N/A SER 403.A OG VAL 400.A O no hydrogen 2.601 N/A PHE 404.A N VAL 400.A O no hydrogen 3.151 N/A LYS 405.A N GLU 401.A O no hydrogen 3.133 N/A CYS 406.A N ALA 402.A O no hydrogen 3.182 N/A CYS 406.A SG ALA 402.A O no hydrogen 3.346 N/A CYS 407.A N PHE 404.A O no hydrogen 3.267 N/A SER 408.A N SER 403.A O no hydrogen 2.970 N/A SER 408.A OG ALA 410.A O no hydrogen 3.287 N/A GLY 409.A N VAL 491.A O no hydrogen 3.051 N/A ILE 411.A N PRO 432.A O no hydrogen 2.832 N/A ILE 412.A N ILE 493.A O no hydrogen 2.674 N/A VAL 413.A N ILE 434.A O no hydrogen 2.906 N/A LEU 414.A N LEU 495.A O no hydrogen 3.200 N/A THR 415.A N VAL 436.A O no hydrogen 3.054 N/A GLY 418.A N THR 415.A OG1 no hydrogen 2.758 N/A ARG 419.A N SER 417.A OG no hydrogen 3.216 N/A SER 420.A OG THR 505.A OG1 no hydrogen 2.573 N/A HIS 422.A N GLY 418.A O no hydrogen 2.975 N/A GLN 423.A N ARG 419.A O no hydrogen 2.857 N/A GLN 423.A NE2 THR 392.A OG1 no hydrogen 3.008 N/A VAL 424.A N SER 420.A O no hydrogen 3.320 N/A ALA 425.A N ALA 421.A O no hydrogen 2.936 N/A ARG 426.A N HIS 422.A O no hydrogen 3.009 N/A ARG 426.A NH2 ARG 302.A O no hydrogen 3.329 N/A TYR 427.A N VAL 424.A O no hydrogen 3.155 N/A ARG 428.A N ALA 425.A O no hydrogen 2.978 N/A ARG 428.A NH1 GLY 338.A O no hydrogen 3.101 N/A ARG 428.A NH1 ASP 340.A OD1 no hydrogen 2.934 N/A ARG 428.A NH2 ALA 425.A O no hydrogen 2.870 N/A ARG 430.A NH1 GLN 3.A O no hydrogen 2.639 N/A ARG 430.A NH2 ALA 370.A O no hydrogen 2.949 N/A ILE 433.A N GLY 451.A O no hydrogen 2.709 N/A ILE 434.A N ILE 411.A O no hydrogen 2.920 N/A ALA 435.A N PHE 453.A O no hydrogen 3.075 N/A VAL 436.A N VAL 413.A O no hydrogen 2.842 N/A THR 437.A N VAL 455.A O no hydrogen 3.188 N/A THR 437.A OG1 THR 415.A O no hydrogen 2.825 N/A THR 437.A OG1 LYS 416.A O no hydrogen 3.555 N/A ARG 438.A NE ASP 459.A O no hydrogen 3.024 N/A ARG 438.A NH1 ASP 459.A O no hydrogen 3.248 N/A ARG 438.A NH1 ASP 468.A OD1 no hydrogen 2.756 N/A ARG 438.A NH2 ASP 468.A OD1 no hydrogen 3.391 N/A ARG 438.A NH2 ASP 468.A OD2 no hydrogen 2.785 N/A ASN 439.A N THR 437.A OG1 no hydrogen 3.066 N/A THR 442.A N ASN 439.A OD1 no hydrogen 3.084 N/A THR 442.A OG1 LYS 416.A O no hydrogen 2.634 N/A ALA 443.A N ASN 439.A O no hydrogen 3.036 N/A ARG 444.A N PRO 440.A O no hydrogen 3.070 N/A ARG 444.A NE ASP 221.A OD1 no hydrogen 2.714 N/A ARG 444.A NE ASP 221.A OD2 no hydrogen 3.261 N/A ARG 444.A NH2 ASP 221.A OD1 no hydrogen 3.555 N/A GLN 445.A N GLN 441.A O no hydrogen 2.964 N/A GLN 445.A NE2 ASP 221.A O no hydrogen 2.985 N/A GLN 445.A NE2 ASN 247.A O no hydrogen 2.750 N/A ALA 446.A N THR 442.A O no hydrogen 2.947 N/A HIS 447.A N ARG 444.A O no hydrogen 3.345 N/A HIS 447.A NE2 PRO 94.A O no hydrogen 2.735 N/A LEU 448.A N GLN 445.A O no hydrogen 3.095 N/A TYR 449.A N ALA 446.A O no hydrogen 3.086 N/A ARG 450.A N ASP 340.A OD1 no hydrogen 3.016 N/A ARG 450.A NE ALA 339.A O no hydrogen 3.032 N/A ARG 450.A NH1 VAL 335.A O no hydrogen 2.749 N/A ARG 450.A NH1 ALA 339.A O no hydrogen 2.769 N/A GLY 451.A N ASN 31.A O no hydrogen 2.869 N/A ILE 452.A N TYR 449.A O no hydrogen 3.185 N/A PHE 453.A N ILE 433.A O no hydrogen 2.650 N/A VAL 455.A N ALA 435.A O no hydrogen 2.894 N/A CYS 457.A N THR 437.A O no hydrogen 2.877 N/A CYS 457.A SG ASP 459.A OD2 no hydrogen 3.689 N/A GLN 462.A N ASP 468.A OD1 no hydrogen 3.032 N/A GLN 462.A NE2 PRO 460.A O no hydrogen 3.061 N/A ASP 468.A N ALA 464.A O no hydrogen 2.981 N/A VAL 469.A N TRP 465.A O no hydrogen 2.830 N/A ASP 470.A N ALA 466.A O no hydrogen 3.005 N/A LEU 471.A N GLU 467.A O no hydrogen 2.928 N/A ARG 472.A N ASP 468.A O no hydrogen 3.270 N/A ARG 472.A NE ASP 468.A O no hydrogen 3.108 N/A VAL 473.A N VAL 469.A O no hydrogen 3.099 N/A ASN 474.A N ASP 470.A O no hydrogen 3.125 N/A PHE 475.A N LEU 471.A O no hydrogen 3.044 N/A ALA 476.A N ARG 472.A O no hydrogen 3.067 N/A MET 477.A N VAL 473.A O no hydrogen 3.044 N/A ASN 478.A N ASN 474.A O no hydrogen 2.950 N/A VAL 479.A N PHE 475.A O no hydrogen 2.887 N/A GLY 480.A N ALA 476.A O no hydrogen 2.915 N/A LYS 481.A N MET 477.A O no hydrogen 3.030 N/A LYS 481.A NZ PRO 514.A O no hydrogen 2.921 N/A ALA 482.A N ASN 478.A O no hydrogen 2.980 N/A ARG 483.A N VAL 479.A O no hydrogen 2.896 N/A GLY 484.A N LYS 481.A O no hydrogen 3.009 N/A PHE 485.A N GLY 480.A O no hydrogen 2.838 N/A LYS 487.A N ASP 490.A OD2 no hydrogen 2.910 N/A GLY 489.A N VAL 513.A O no hydrogen 3.014 N/A ASP 490.A N LYS 487.A O no hydrogen 3.051 N/A VAL 492.A N VAL 511.A O no hydrogen 2.803 N/A ILE 493.A N ALA 410.A O no hydrogen 3.020 N/A VAL 494.A N ARG 509.A O no hydrogen 2.731 N/A LEU 495.A N ILE 412.A O no hydrogen 2.664 N/A THR 496.A N THR 507.A O no hydrogen 2.974 N/A TRP 498.A N PHE 504.A O no hydrogen 3.314 N/A THR 505.A OG1 SER 420.A OG no hydrogen 2.573 N/A ASN 506.A N THR 496.A O no hydrogen 3.119 N/A THR 507.A N THR 496.A O no hydrogen 3.085 N/A THR 507.A OG1 ASN 506.A OD1 no hydrogen 2.942 N/A ARG 509.A N VAL 494.A O no hydrogen 2.807 N/A VAL 511.A N VAL 492.A O no hydrogen 2.856 N/A VAL 513.A N ASP 490.A O no hydrogen 2.649 N/A