Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kii_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N SER 2.A OG no hydrogen 2.985 N/A ARG 5.A N SER 2.A O no hydrogen 3.099 N/A ARG 5.A NH1 SER 2.A O no hydrogen 3.085 N/A SER 8.A N GLU 11.A OE1 no hydrogen 3.001 N/A GLU 11.A N SER 8.A OG no hydrogen 3.123 N/A ILE 12.A N SER 8.A O no hydrogen 3.273 N/A SER 13.A N ALA 9.A O no hydrogen 2.996 N/A SER 13.A OG ALA 9.A O no hydrogen 3.404 N/A GLU 14.A N GLY 10.A O no hydrogen 2.950 N/A VAL 15.A N GLU 11.A O no hydrogen 3.038 N/A GLN 16.A N ILE 12.A O no hydrogen 2.992 N/A GLN 16.A NE2 PHE 322.A O no hydrogen 2.865 N/A GLN 16.A NE2 ASN 324.A OD1 no hydrogen 3.088 N/A GLY 17.A N SER 13.A O no hydrogen 2.951 N/A ILE 18.A N GLU 14.A O no hydrogen 2.774 N/A LEU 19.A N VAL 15.A O no hydrogen 2.827 N/A ARG 20.A N GLY 17.A O no hydrogen 3.182 N/A THR 21.A N GLY 17.A O no hydrogen 2.779 N/A THR 21.A OG1 GLY 17.A O no hydrogen 3.044 N/A ALA 22.A N ILE 18.A O no hydrogen 2.827 N/A GLY 23.A N ARG 20.A O no hydrogen 2.994 N/A LEU 24.A N LEU 19.A O no hydrogen 2.883 N/A ARG 30.A N HIS 55.A O no hydrogen 3.106 N/A ILE 31.A N ALA 321.A O no hydrogen 2.718 N/A ALA 32.A N PHE 53.A O no hydrogen 2.877 N/A TYR 33.A OH ASP 240.A OD1 no hydrogen 2.627 N/A GLY 35.A N ARG 51.A O no hydrogen 3.060 N/A LEU 37.A N ARG 49.A O no hydrogen 2.776 N/A ARG 41.A NE ASP 570.A OD2 no hydrogen 2.838 N/A ARG 41.A NH1 ASP 429.A OD2 no hydrogen 3.492 N/A ARG 41.A NH2 ASP 429.A OD2 no hydrogen 2.785 N/A ARG 41.A NH2 ASP 570.A OD1 no hydrogen 3.162 N/A ARG 41.A NH2 ASP 570.A OD2 no hydrogen 3.094 N/A ARG 48.A N THR 70.A OG1 no hydrogen 2.827 N/A ARG 48.A NE GLU 11.A OE2 no hydrogen 2.700 N/A ARG 48.A NH1 PRO 3.A O no hydrogen 3.041 N/A ARG 48.A NH1 ARG 5.A O no hydrogen 3.001 N/A ARG 48.A NH2 ARG 5.A O no hydrogen 3.182 N/A ARG 48.A NH2 GLU 11.A OE1 no hydrogen 2.948 N/A ARG 48.A NH2 GLU 11.A OE2 no hydrogen 3.248 N/A ARG 49.A NE ASP 47.A OD2 no hydrogen 3.074 N/A ARG 49.A NH2 ASP 47.A OD2 no hydrogen 3.529 N/A PHE 50.A N VAL 67.A O no hydrogen 2.832 N/A ARG 51.A N GLY 35.A O no hydrogen 2.807 N/A ARG 51.A NE GLU 64.A OE2 no hydrogen 3.137 N/A ARG 51.A NH1 ASP 545.A OD1 no hydrogen 3.562 N/A ARG 51.A NH2 GLU 64.A OE2 no hydrogen 3.113 N/A ARG 51.A NH2 ASP 545.A OD2 no hydrogen 2.903 N/A VAL 52.A N VAL 65.A O no hydrogen 2.810 N/A PHE 53.A N TYR 33.A O no hydrogen 2.884 N/A ILE 54.A N GLN 63.A O no hydrogen 2.831 N/A HIS 55.A N ARG 30.A O no hydrogen 2.721 N/A VAL 57.A N GLU 28.A O no hydrogen 2.621 N/A GLY 59.A N ASP 56.A O no hydrogen 2.969 N/A GLN 63.A N ILE 54.A O no hydrogen 2.969 N/A GLU 64.A N VAL 78.A O no hydrogen 2.899 N/A VAL 65.A N VAL 52.A O no hydrogen 2.911 N/A THR 66.A N SER 76.A O no hydrogen 2.930 N/A VAL 67.A N PHE 50.A O no hydrogen 2.834 N/A SER 68.A N THR 73.A O no hydrogen 2.743 N/A SER 68.A OG ASP 47.A OD1 no hydrogen 2.819 N/A VAL 69.A N ARG 48.A O no hydrogen 2.822 N/A ASN 71.A N SER 68.A OG no hydrogen 3.328 N/A THR 73.A N SER 68.A O no hydrogen 3.039 N/A ILE 75.A N THR 66.A O no hydrogen 2.853 N/A SER 76.A N THR 66.A O no hydrogen 3.217 N/A VAL 78.A N GLU 64.A O no hydrogen 2.972 N/A LEU 80.A N PRO 62.A O no hydrogen 2.722 N/A THR 82.A OG1 GLU 87.A OE1 no hydrogen 3.449 N/A THR 82.A OG1 GLU 87.A OE2 no hydrogen 2.735 N/A THR 82.A OG1 GLY 139.A O no hydrogen 3.435 N/A ALA 84.A N ASP 81.A O no hydrogen 2.878 N/A THR 85.A N ASP 81.A O no hydrogen 2.919 N/A THR 85.A OG1 ASP 81.A O no hydrogen 3.199 N/A GLY 86.A N THR 82.A O no hydrogen 2.842 N/A GLU 87.A N ASN 548.A O no hydrogen 2.862 N/A VAL 90.A N GLU 291.A O no hydrogen 2.779 N/A LEU 91.A N GLU 94.A OE1 no hydrogen 3.025 N/A GLU 94.A N LEU 91.A O no hydrogen 3.212 N/A PHE 95.A N GLU 92.A O no hydrogen 2.972 N/A VAL 97.A N GLU 94.A O no hydrogen 3.220 N/A GLN 100.A N GLU 96.A O no hydrogen 3.094 N/A LEU 101.A N VAL 97.A O no hydrogen 3.131 N/A LEU 102.A N VAL 98.A O no hydrogen 3.184 N/A ALA 103.A N GLU 99.A O no hydrogen 3.027 N/A THR 104.A N LEU 101.A O no hydrogen 3.266 N/A THR 104.A OG1 LEU 101.A O no hydrogen 3.317 N/A ASP 105.A N LEU 102.A O no hydrogen 3.030 N/A ARG 107.A NE ASP 105.A OD2 no hydrogen 3.245 N/A ARG 107.A NH2 ASP 105.A OD1 no hydrogen 2.850 N/A ARG 107.A NH2 VAL 176.A O no hydrogen 2.937 N/A TRP 108.A N ASP 105.A OD2 no hydrogen 3.094 N/A LEU 109.A N ASP 105.A O no hydrogen 2.853 N/A LYS 110.A N GLU 106.A O no hydrogen 2.912 N/A ALA 111.A N ARG 107.A O no hydrogen 3.120 N/A LEU 112.A N TRP 108.A O no hydrogen 2.973 N/A ALA 113.A N LEU 109.A O no hydrogen 2.890 N/A ALA 114.A N LYS 110.A O no hydrogen 3.032 N/A ARG 115.A N LEU 112.A O no hydrogen 3.164 N/A ARG 115.A NH1 ALA 111.A O no hydrogen 3.128 N/A ARG 115.A NH1 ASP 181.A OD1 no hydrogen 3.411 N/A ARG 115.A NH1 ASP 181.A OD2 no hydrogen 2.924 N/A ARG 115.A NH2 ASP 163.A O no hydrogen 3.398 N/A ARG 115.A NH2 ASP 181.A OD1 no hydrogen 2.821 N/A ASN 116.A N ALA 113.A O no hydrogen 2.948 N/A LEU 117.A N LEU 112.A O no hydrogen 2.902 N/A SER 120.A N ASP 118.A OD1 no hydrogen 3.162 N/A SER 120.A OG ASP 118.A OD1 no hydrogen 2.998 N/A SER 120.A OG ASP 118.A OD2 no hydrogen 3.135 N/A LYS 121.A N ASP 118.A O no hydrogen 2.821 N/A LYS 121.A NZ ASP 151.A O no hydrogen 3.299 N/A VAL 122.A N VAL 119.A O no hydrogen 3.249 N/A ARG 123.A N PHE 148.A O no hydrogen 2.775 N/A ARG 123.A NE GLU 99.A OE1 no hydrogen 3.036 N/A ARG 123.A NE GLU 99.A OE2 no hydrogen 3.000 N/A ARG 123.A NH1 GLN 150.A OE1 no hydrogen 3.031 N/A ARG 123.A NH2 GLU 99.A OE2 no hydrogen 2.949 N/A ARG 123.A NH2 SER 120.A O no hydrogen 2.842 N/A VAL 124.A N GLU 99.A OE1 no hydrogen 3.304 N/A ALA 125.A N LEU 146.A O no hydrogen 3.161 N/A LEU 127.A N ARG 144.A O no hydrogen 2.880 N/A SER 128.A OG ASN 285.A O no hydrogen 3.228 N/A SER 128.A OG GLU 291.A OE1 no hydrogen 2.703 N/A GLU 133.A N.A GLU 133.A OE1.A no hydrogen 3.078 N/A TYR 134.A OH TYR 168.A OH no hydrogen 2.547 N/A GLU 136.A N GLU 136.A OE2 no hydrogen 3.154 N/A GLU 137.A N TYR 134.A O no hydrogen 3.097 N/A ARG 138.A N ALA 135.A O no hydrogen 3.402 N/A ARG 140.A N GLU 137.A O no hydrogen 2.886 N/A ARG 141.A NE GLU 94.A OE2 no hydrogen 2.885 N/A ARG 141.A NH1 LEU 88.A O no hydrogen 2.815 N/A ARG 141.A NH2 PRO 89.A O no hydrogen 2.840 N/A ARG 141.A NH2 GLU 94.A OE1 no hydrogen 2.785 N/A ARG 141.A NH2 GLU 94.A OE2 no hydrogen 3.374 N/A ILE 142.A N GLN 549.A OE1 no hydrogen 2.941 N/A LEU 143.A N VAL 169.A O no hydrogen 2.989 N/A ARG 144.A N LEU 127.A O no hydrogen 2.796 N/A ARG 144.A NE ALA 129.A O no hydrogen 2.920 N/A ARG 144.A NH1 GLU 137.A OE2 no hydrogen 2.801 N/A ARG 144.A NH2 ALA 129.A O no hydrogen 2.856 N/A ARG 144.A NH2 GLU 137.A OE1 no hydrogen 2.966 N/A GLY 145.A N ALA 167.A O no hydrogen 2.728 N/A PHE 148.A N ARG 123.A O no hydrogen 2.909 N/A VAL 149.A N HIS 160.A O no hydrogen 2.954 N/A GLN 150.A N LYS 121.A O no hydrogen 2.785 N/A GLN 150.A NE2 ASP 155.A O no hydrogen 3.155 N/A ASP 151.A N ASP 155.A OD2 no hydrogen 2.913 N/A ASP 155.A N PHE 152.A O no hydrogen 2.913 N/A SER 156.A N ASN 193.A OD1 no hydrogen 2.756 N/A ALA 159.A N SER 156.A O no hydrogen 3.211 N/A HIS 160.A N ALA 157.A O no hydrogen 2.855 N/A HIS 160.A ND1 PRO 188.A O no hydrogen 2.713 N/A VAL 162.A N ALA 147.A O no hydrogen 2.909 N/A GLY 164.A N ASP 163.A OD1 no hydrogen 2.745 N/A VAL 166.A N ILE 180.A O no hydrogen 3.010 N/A ALA 167.A N GLY 145.A O no hydrogen 3.121 N/A TYR 168.A N ARG 178.A O no hydrogen 2.918 N/A TYR 168.A OH TYR 134.A OH no hydrogen 2.547 N/A VAL 169.A N LEU 143.A O no hydrogen 2.894 N/A ASP 170.A N GLU 175.A O no hydrogen 2.841 N/A VAL 171.A N ARG 141.A O no hydrogen 3.176 N/A VAL 172.A N ASP 170.A OD1 no hydrogen 2.970 N/A SER 173.A N ASP 170.A OD1 no hydrogen 3.093 N/A GLU 175.A N ASP 170.A O no hydrogen 3.205 N/A THR 177.A N TYR 168.A O no hydrogen 2.968 N/A THR 177.A OG1 TYR 168.A O no hydrogen 3.238 N/A ARG 178.A N TYR 168.A O no hydrogen 3.433 N/A ARG 178.A NH2 GLU 136.A OE1 no hydrogen 2.764 N/A ILE 180.A N VAL 166.A O no hydrogen 2.815 N/A THR 182.A N GLY 164.A O no hydrogen 2.863 N/A THR 182.A OG1 GLY 164.A O no hydrogen 3.346 N/A GLY 183.A N ASP 181.A OD1 no hydrogen 3.257 N/A HIS 191.A NE2 GLU 198.A OE2 no hydrogen 2.913 N/A ASN 193.A N HIS 191.A ND1 no hydrogen 3.074 N/A ASN 193.A ND2 ASP 155.A OD1 no hydrogen 2.835 N/A ASP 196.A N ASN 193.A O no hydrogen 2.997 N/A GLU 198.A N ASP 196.A OD1 no hydrogen 2.992 N/A LEU 199.A N ASP 196.A O no hydrogen 2.796 N/A THR 200.A N ASP 196.A O no hydrogen 2.942 N/A THR 200.A OG1 GLY 201.A O no hydrogen 2.741 N/A GLY 201.A N PRO 197.A O no hydrogen 2.771 N/A GLN 214.A NE2 GLU 336.A OE2 no hydrogen 2.959 N/A GLY 217.A N GLN 214.A O no hydrogen 2.956 N/A SER 219.A N GLU 336.A OE2 no hydrogen 2.893 N/A SER 219.A OG GLU 336.A OE1 no hydrogen 3.318 N/A SER 219.A OG GLU 336.A OE2 no hydrogen 2.516 N/A THR 221.A N GLU 229.A O no hydrogen 3.062 N/A THR 223.A N HIS 227.A O no hydrogen 2.968 N/A ASN 226.A ND2 PHE 4.A O no hydrogen 2.878 N/A ASN 226.A ND2 VAL 237.A O no hydrogen 2.907 N/A HIS 227.A N THR 223.A O no hydrogen 2.883 N/A HIS 227.A ND1 ASP 236.A OD1 no hydrogen 2.648 N/A HIS 227.A NE2 GLU 229.A OE1 no hydrogen 2.703 N/A ILE 228.A N LEU 235.A O no hydrogen 2.945 N/A GLU 229.A N THR 221.A O no hydrogen 3.160 N/A TRP 230.A N TRP 233.A O no hydrogen 2.940 N/A TRP 230.A NE1 GLU 336.A OE1 no hydrogen 2.812 N/A LYS 232.A NZ ASP 613.A OD2 no hydrogen 2.667 N/A TRP 233.A N TRP 230.A O no hydrogen 2.739 N/A TRP 233.A NE1 TYR 380.A O no hydrogen 2.908 N/A SER 234.A N ALA 251.A O no hydrogen 2.943 N/A LEU 235.A N ILE 228.A O no hydrogen 3.082 N/A ASP 236.A N HIS 248.A O no hydrogen 2.712 N/A VAL 237.A N ASN 226.A O no hydrogen 2.850 N/A GLY 238.A N VAL 246.A O no hydrogen 2.745 N/A ASP 240.A N GLY 244.A O no hydrogen 2.937 N/A ARG 242.A N ASP 240.A OD2 no hydrogen 2.855 N/A ARG 242.A NH1 ASP 545.A O no hydrogen 2.742 N/A ARG 242.A NH2 GLY 544.A O no hydrogen 2.870 N/A GLU 243.A N ASP 240.A OD2 no hydrogen 3.107 N/A GLY 244.A N ASP 240.A O no hydrogen 2.699 N/A VAL 246.A N GLY 238.A O no hydrogen 3.011 N/A LEU 247.A N ALA 265.A O no hydrogen 2.998 N/A HIS 248.A N ASP 236.A O no hydrogen 2.825 N/A ASN 249.A N ASN 263.A O no hydrogen 2.913 N/A ASN 249.A ND2 ASP 236.A OD2 no hydrogen 2.669 N/A ILE 250.A N ILE 262.A O no hydrogen 2.811 N/A ALA 251.A N SER 234.A O no hydrogen 2.919 N/A PHE 252.A N ARG 259.A O no hydrogen 2.936 N/A ARG 253.A N LYS 232.A O no hydrogen 2.744 N/A ASP 254.A N ARG 257.A O no hydrogen 2.934 N/A ARG 257.A N ASP 254.A O no hydrogen 3.265 N/A ARG 259.A N PHE 252.A O no hydrogen 2.905 N/A ARG 259.A NE ASP 433.A OD1 no hydrogen 2.930 N/A ARG 259.A NH1 ASP 254.A OD2 no hydrogen 2.808 N/A ARG 259.A NH1 PHE 605.A O no hydrogen 2.873 N/A ARG 259.A NH2 ASP 433.A OD1 no hydrogen 3.542 N/A ARG 259.A NH2 ASP 433.A OD2 no hydrogen 2.911 N/A ARG 259.A NH2 PHE 605.A O no hydrogen 2.918 N/A ILE 261.A N ILE 250.A O no hydrogen 2.925 N/A ILE 262.A N ILE 250.A O no hydrogen 3.220 N/A ASN 263.A N ASP 429.A O no hydrogen 2.756 N/A ASN 263.A ND2 ASP 429.A OD2 no hydrogen 2.708 N/A ARG 264.A N ASP 429.A O no hydrogen 3.232 N/A ARG 264.A NE ASP 38.A OD2 no hydrogen 2.719 N/A ARG 264.A NH1 GLU 243.A OE1 no hydrogen 3.411 N/A ARG 264.A NH1 GLU 243.A OE2 no hydrogen 3.182 N/A ARG 264.A NH2 GLU 243.A OE1 no hydrogen 2.970 N/A ALA 265.A N LEU 247.A O no hydrogen 2.835 N/A SER 266.A N ARG 427.A O no hydrogen 3.008 N/A SER 266.A OG GLU 243.A OE2 no hydrogen 2.495 N/A ALA 268.A N SER 425.A O no hydrogen 2.842 N/A MET 270.A N GLU 269.A OE1 no hydrogen 2.838 N/A VAL 271.A N ILE 423.A O no hydrogen 2.831 N/A VAL 272.A N TYR 286.A O no hydrogen 2.761 N/A TYR 274.A N GLN 284.A O no hydrogen 3.123 N/A GLY 275.A N PHE 419.A O no hydrogen 2.752 N/A SER 278.A N ASP 276.A OD1 no hydrogen 2.964 N/A ILE 280.A N SER 278.A OG no hydrogen 3.185 N/A ARG 281.A N SER 278.A O no hydrogen 2.940 N/A ARG 281.A NE ASP 276.A OD2 no hydrogen 3.036 N/A ARG 281.A NH1 ASP 163.A OD1 no hydrogen 2.983 N/A ARG 281.A NH1 ASP 163.A OD2 no hydrogen 3.381 N/A ARG 281.A NH2 ASP 163.A OD1 no hydrogen 3.433 N/A ARG 281.A NH2 ASP 163.A OD2 no hydrogen 3.223 N/A ARG 281.A NH2 ASP 276.A OD2 no hydrogen 2.865 N/A SER 282.A N SER 278.A O no hydrogen 2.727 N/A TRP 283.A NE1 ILE 280.A O no hydrogen 2.888 N/A GLN 284.A N ARG 281.A O no hydrogen 2.898 N/A ASN 285.A ND2 TRP 283.A O no hydrogen 3.354 N/A TYR 286.A N VAL 272.A O no hydrogen 2.968 N/A PHE 287.A N GLU 291.A OE1 no hydrogen 2.887 N/A GLY 290.A N GLU 269.A OE1 no hydrogen 2.965 N/A GLU 291.A N PHE 287.A O no hydrogen 2.774 N/A TYR 292.A N PHE 287.A O no hydrogen 3.328 N/A TYR 292.A OH PRO 126.A O no hydrogen 3.024 N/A LEU 293.A N THR 289.A O no hydrogen 3.081 N/A GLN 296.A N VAL 241.A O no hydrogen 3.173 N/A GLN 296.A N LEU 293.A O no hydrogen 3.274 N/A GLN 296.A NE2 TYR 292.A O no hydrogen 2.837 N/A TYR 297.A N VAL 294.A O no hydrogen 3.331 N/A ALA 298.A N GLY 295.A O no hydrogen 3.264 N/A ASN 299.A N PHE 366.A O no hydrogen 2.685 N/A ASN 299.A ND2 TYR 297.A O no hydrogen 3.476 N/A ASN 299.A ND2 THR 368.A OG1 no hydrogen 2.994 N/A SER 300.A OG ARG 329.A O no hydrogen 3.057 N/A LEU 301.A N ASN 330.A O no hydrogen 3.114 N/A GLU 302.A N ASP 306.A OD2 no hydrogen 2.991 N/A GLY 304.A N CYS 307.A O no hydrogen 3.366 N/A ASP 306.A N GLU 302.A O no hydrogen 3.229 N/A THR 312.A N MET 334.A O no hydrogen 2.959 N/A LEU 314.A N ILE 332.A O no hydrogen 2.979 N/A ILE 318.A N ARG 326.A O.A no hydrogen 2.756 N/A ILE 318.A N ARG 326.A O.B no hydrogen 2.785 N/A SER 319.A OG ASP 320.A O no hydrogen 2.972 N/A ASP 320.A N ASN 324.A O no hydrogen 2.881 N/A PHE 322.A N ASP 320.A OD1 no hydrogen 2.910 N/A GLY 323.A N ASP 320.A O no hydrogen 3.217 N/A ASN 324.A N ASP 320.A OD1 no hydrogen 2.811 N/A ASN 324.A ND2 ASP 320.A OD2 no hydrogen 3.020 N/A ARG 326.A N.A ILE 318.A O no hydrogen 2.754 N/A ARG 326.A N.B ILE 318.A O no hydrogen 2.775 N/A ILE 328.A N PRO 316.A O no hydrogen 2.697 N/A ASN 330.A N SER 315.A OG no hydrogen 2.945 N/A GLY 331.A N ILE 328.A O no hydrogen 3.219 N/A ILE 332.A N LEU 314.A O no hydrogen 3.133 N/A CYS 333.A N SER 364.A O no hydrogen 2.884 N/A MET 334.A N THR 312.A O no hydrogen 2.896 N/A HIS 335.A N VAL 362.A O no hydrogen 2.955 N/A HIS 335.A NE2 GLU 337.A OE1 no hydrogen 3.144 N/A GLU 337.A N ARG 360.A O no hydrogen 2.902 N/A TRP 339.A N ASN 358.A O no hydrogen 2.924 N/A GLY 340.A N ASP 338.A OD2 no hydrogen 3.005 N/A LEU 342.A N ARG 356.A O no hydrogen 2.763 N/A ALA 343.A N ARG 356.A O no hydrogen 3.479 N/A HIS 345.A N TYR 354.A O no hydrogen 2.915 N/A HIS 345.A NE2 ASP 347.A OD1 no hydrogen 2.750 N/A ASP 347.A N ILE 352.A O no hydrogen 2.997 N/A SER 350.A N ASP 347.A OD2 no hydrogen 2.939 N/A SER 350.A OG ASP 347.A OD2 no hydrogen 3.472 N/A GLY 351.A N ASP 347.A O no hydrogen 3.059 N/A ILE 352.A N SER 350.A OG no hydrogen 2.957 N/A TYR 354.A N HIS 345.A O no hydrogen 2.919 N/A ARG 356.A N ALA 343.A O no hydrogen 2.951 N/A ARG 356.A NE VAL 614.A O no hydrogen 3.032 N/A ARG 356.A NH1 THR 355.A O no hydrogen 2.886 N/A ARG 357.A NE ASP 338.A OD1 no hydrogen 3.084 N/A ARG 357.A NH2 ASP 338.A OD1 no hydrogen 3.236 N/A ARG 357.A NH2 ASP 338.A OD2 no hydrogen 2.722 N/A ASN 358.A N GLY 340.A O no hydrogen 2.725 N/A ARG 359.A NH1 GLU 336.A OE1 no hydrogen 2.991 N/A ARG 360.A N GLU 337.A O no hydrogen 2.959 N/A ARG 360.A NE GLU 337.A OE2 no hydrogen 2.657 N/A ARG 360.A NH1 TYR 380.A OH no hydrogen 3.006 N/A ARG 360.A NH2 GLU 337.A OE2 no hydrogen 2.733 N/A MET 361.A N LEU 379.A O no hydrogen 2.816 N/A VAL 362.A N HIS 335.A O no hydrogen 2.664 N/A ILE 363.A N TRP 377.A O no hydrogen 3.078 N/A SER 364.A N CYS 333.A O no hydrogen 2.842 N/A PHE 365.A N PHE 375.A O no hydrogen 3.153 N/A THR 367.A N TYR 373.A O no hydrogen 2.821 N/A THR 367.A OG1 VAL 294.A O no hydrogen 2.786 N/A THR 368.A N TYR 297.A O no hydrogen 3.339 N/A THR 368.A OG1 ASP 372.A OD2 no hydrogen 2.692 N/A ASN 371.A ND2 VAL 394.A O no hydrogen 2.844 N/A TYR 373.A N THR 367.A O no hydrogen 2.887 N/A TYR 373.A OH ASP 288.A OD1 no hydrogen 3.113 N/A TYR 373.A OH HIS 422.A ND1 no hydrogen 2.825 N/A GLY 374.A N LYS 390.A O no hydrogen 2.821 N/A PHE 375.A N PHE 365.A O no hydrogen 2.899 N/A TYR 376.A N GLU 388.A O no hydrogen 2.884 N/A TRP 377.A N ILE 363.A O no hydrogen 2.987 N/A TYR 378.A N GLU 386.A O no hydrogen 2.707 N/A TYR 378.A OH GLU 388.A OE1 no hydrogen 2.553 N/A LEU 379.A N MET 361.A O no hydrogen 3.011 N/A TYR 380.A N THR 384.A O no hydrogen 2.918 N/A TYR 380.A OH GLU 386.A OE1 no hydrogen 2.541 N/A LEU 381.A N ARG 359.A O no hydrogen 3.425 N/A GLY 383.A N TYR 380.A O no hydrogen 3.004 N/A THR 384.A N ASP 382.A OD1 no hydrogen 2.975 N/A THR 384.A OG1 ASP 382.A OD1 no hydrogen 2.920 N/A ILE 385.A N LEU 600.A O no hydrogen 2.937 N/A GLU 386.A N TYR 378.A O no hydrogen 2.973 N/A PHE 387.A N PHE 598.A O no hydrogen 3.087 N/A GLU 388.A N TYR 376.A O no hydrogen 2.921 N/A ALA 389.A N VAL 596.A O no hydrogen 2.876 N/A LYS 390.A N GLY 374.A O no hydrogen 2.871 N/A ALA 391.A N ASP 594.A O no hydrogen 2.832 N/A THR 392.A N ASP 372.A O no hydrogen 2.927 N/A THR 392.A OG1 MET 591.A O no hydrogen 2.622 N/A GLY 393.A N THR 392.A OG1 no hydrogen 2.721 N/A VAL 394.A N ASN 371.A O no hydrogen 2.815 N/A THR 397.A OG1 TRP 158.A O no hydrogen 2.574 N/A SER 398.A N GLY 416.A O no hydrogen 2.958 N/A SER 398.A OG ALA 399.A O no hydrogen 3.164 N/A ALA 399.A N ASP 163.A OD2 no hydrogen 2.937 N/A PHE 400.A N GLY 414.A O no hydrogen 2.838 N/A GLY 404.A N PRO 401.A O no hydrogen 3.092 N/A ASN 407.A N SER 405.A OG no hydrogen 2.963 N/A SER 409.A N ALA 417.A O no hydrogen 2.968 N/A SER 409.A OG PRO 583.A O no hydrogen 2.734 N/A LEU 411.A N LEU 415.A O no hydrogen 2.781 N/A LEU 415.A N ALA 412.A O no hydrogen 2.817 N/A GLY 416.A N SER 398.A O no hydrogen 2.818 N/A ALA 417.A N SER 409.A O no hydrogen 2.744 N/A PHE 419.A N ASN 407.A O no hydrogen 3.010 N/A HIS 420.A N HIS 581.A O no hydrogen 3.180 N/A HIS 420.A ND1 PRO 418.A O no hydrogen 2.897 N/A GLN 421.A N PRO 273.A O no hydrogen 3.110 N/A GLN 421.A NE2 THR 510.A O no hydrogen 3.087 N/A GLN 421.A NE2 THR 580.A OG1 no hydrogen 2.908 N/A HIS 422.A N LEU 579.A O no hydrogen 2.809 N/A HIS 422.A ND1 TYR 373.A OH no hydrogen 2.825 N/A ILE 423.A N VAL 271.A O no hydrogen 2.839 N/A PHE 424.A N PHE 577.A O no hydrogen 2.710 N/A SER 425.A N GLU 269.A O no hydrogen 2.908 N/A ALA 426.A N HIS 575.A O no hydrogen 2.896 N/A ARG 427.A N SER 266.A O no hydrogen 2.743 N/A LEU 428.A N VAL 573.A O no hydrogen 2.663 N/A ASP 429.A N ARG 264.A O no hydrogen 2.903 N/A MET 430.A N ILE 571.A O no hydrogen 3.287 N/A ALA 431.A N ILE 261.A O no hydrogen 2.945 N/A ILE 432.A N ASN 437.A OD1 no hydrogen 2.913 N/A ASP 433.A N PRO 260.A O no hydrogen 2.889 N/A GLY 434.A N ALA 431.A O no hydrogen 3.018 N/A ASN 437.A N GLN 569.A O no hydrogen 3.042 N/A ASN 437.A ND2 ILE 432.A O no hydrogen 3.079 N/A ASN 437.A ND2 GLY 434.A O no hydrogen 3.043 N/A ARG 438.A N SER 487.A O no hydrogen 2.841 N/A ARG 438.A NH1 ASP 567.A OD1 no hydrogen 2.930 N/A GLU 440.A N ILE 485.A O no hydrogen 2.831 N/A GLU 441.A N THR 464.A O no hydrogen 3.016 N/A GLU 442.A N THR 483.A O no hydrogen 2.836 N/A ASP 443.A N LYS 462.A O no hydrogen 3.088 N/A VAL 444.A N THR 480.A O no hydrogen 2.836 N/A VAL 445.A N SER 460.A O no hydrogen 2.820 N/A GLY 450.A N ASN 453.A O no hydrogen 3.103 N/A GLY 452.A N GLU 454.A OE2 no hydrogen 3.014 N/A ASN 453.A N GLY 450.A O no hydrogen 2.747 N/A ASN 453.A ND2 THR 448.A O no hydrogen 3.111 N/A GLU 454.A N GLU 454.A OE1 no hydrogen 2.772 N/A GLY 456.A N ASN 453.A O no hydrogen 3.002 N/A ASN 457.A N ASN 453.A OD1 no hydrogen 3.228 N/A ALA 458.A N ASN 453.A OD1 no hydrogen 3.011 N/A SER 460.A N VAL 445.A O no hydrogen 2.813 N/A SER 460.A OG ARG 461.A O.A no hydrogen 3.454 N/A SER 460.A OG ARG 461.A O.B no hydrogen 3.541 N/A ARG 461.A N.A SER 460.A OG no hydrogen 2.686 N/A ARG 461.A N.B SER 460.A OG no hydrogen 2.701 N/A ARG 461.A NH1.B GLU 442.A OE2 no hydrogen 3.360 N/A LYS 462.A N ASP 443.A O no hydrogen 2.854 N/A ARG 463.A NE GLU 442.A OE1 no hydrogen 2.666 N/A ARG 463.A NH2 GLU 442.A OE1 no hydrogen 2.970 N/A ARG 463.A NH2 GLU 603.A OE2 no hydrogen 3.445 N/A THR 464.A N GLU 441.A O no hydrogen 3.011 N/A LEU 466.A N VAL 439.A O no hydrogen 2.924 N/A THR 467.A N GLU 471.A OE2 no hydrogen 3.168 N/A THR 467.A OG1 GLU 471.A OE1 no hydrogen 3.216 N/A THR 467.A OG1 GLU 471.A OE2 no hydrogen 2.894 N/A ARG 468.A NE ASP 563.A O no hydrogen 3.217 N/A ARG 468.A NH2 ASP 563.A O no hydrogen 3.196 N/A GLU 469.A N ARG 564.A O no hydrogen 3.009 N/A SER 470.A N ASP 563.A OD1 no hydrogen 3.118 N/A SER 470.A OG ASP 563.A OD1 no hydrogen 2.688 N/A GLU 471.A N ARG 468.A O no hydrogen 2.889 N/A ALA 472.A N GLU 469.A O no hydrogen 2.980 N/A ARG 474.A N LEU 530.A O no hydrogen 2.692 N/A ARG 474.A NE GLU 441.A OE1 no hydrogen 2.956 N/A ARG 474.A NH1 GLU 471.A O no hydrogen 2.857 N/A ARG 474.A NH2 GLU 441.A OE2 no hydrogen 2.804 N/A ALA 476.A N ASP 529.A OD1 no hydrogen 2.852 N/A THR 480.A N ASP 477.A O no hydrogen 3.123 N/A THR 480.A N ASP 477.A OD1 no hydrogen 3.414 N/A THR 480.A OG1 ASP 477.A O no hydrogen 3.319 N/A GLY 481.A N ALA 478.A O no hydrogen 3.030 N/A ARG 482.A N ASP 477.A O no hydrogen 3.117 N/A ARG 482.A NE ASP 443.A OD1 no hydrogen 2.755 N/A ARG 482.A NH1 GLU 475.A O no hydrogen 2.930 N/A ARG 482.A NH2 ASP 443.A OD2 no hydrogen 2.926 N/A THR 483.A N GLU 442.A O no hydrogen 2.980 N/A TRP 484.A N LEU 503.A O no hydrogen 3.518 N/A TRP 484.A NE1 GLU 441.A OE1 no hydrogen 2.935 N/A ILE 485.A N GLU 440.A O no hydrogen 2.794 N/A ILE 486.A N TYR 501.A O no hydrogen 2.844 N/A SER 487.A N ARG 438.A O no hydrogen 2.768 N/A ASN 488.A N VAL 499.A O no hydrogen 3.094 N/A ASN 488.A ND2 ILE 432.A O no hydrogen 2.898 N/A GLU 490.A N ASN 488.A OD1 no hydrogen 2.960 N/A SER 491.A N ASN 488.A O no hydrogen 3.069 N/A SER 491.A OG ASP 433.A OD2 no hydrogen 2.566 N/A ASN 493.A N GLU 497.A O no hydrogen 2.830 N/A ASN 493.A ND2 GLY 604.A O no hydrogen 2.753 N/A ARG 494.A N ASP 607.A OD1 no hydrogen 2.770 N/A ARG 494.A NE ASP 607.A O no hydrogen 3.315 N/A LEU 495.A N ASN 493.A OD1 no hydrogen 2.866 N/A ASN 496.A N ASN 493.A O no hydrogen 2.914 N/A GLU 497.A N ASN 493.A OD1 no hydrogen 3.233 N/A VAL 499.A N SER 491.A O no hydrogen 2.963 N/A TYR 501.A N ILE 486.A O no hydrogen 2.893 N/A TYR 501.A OH GLY 383.A O no hydrogen 2.755 N/A LYS 502.A N ARG 601.A O no hydrogen 2.764 N/A LYS 502.A NZ GLU 442.A OE2 no hydrogen 2.600 N/A LEU 503.A N TRP 484.A O no hydrogen 2.772 N/A HIS 504.A N LYS 599.A O no hydrogen 2.826 N/A LEU 511.A N ALA 526.A O no hydrogen 2.831 N/A LEU 512.A N GLN 421.A OE1 no hydrogen 3.065 N/A GLY 516.A N ASP 514.A OD1 no hydrogen 2.822 N/A SER 517.A N ASP 514.A O no hydrogen 2.948 N/A SER 517.A OG ASP 514.A O no hydrogen 2.788 N/A SER 518.A OG VAL 131.A O no hydrogen 3.012 N/A ALA 520.A N SER 517.A OG no hydrogen 2.947 N/A ARG 521.A N SER 517.A O no hydrogen 3.372 N/A ARG 521.A N SER 518.A O no hydrogen 3.126 N/A ARG 521.A NH1 GLY 516.A O no hydrogen 2.853 N/A ARG 522.A N SER 518.A O no hydrogen 2.905 N/A ARG 522.A NE HIS 550.A O no hydrogen 2.841 N/A ARG 522.A NH2 GLU 291.A OE2 no hydrogen 3.044 N/A ARG 522.A NH2 VAL 547.A O no hydrogen 2.989 N/A ALA 523.A N ILE 519.A O no hydrogen 2.774 N/A ALA 526.A N ALA 523.A O no hydrogen 2.909 N/A THR 527.A N ALA 524.A O no hydrogen 3.087 N/A THR 527.A OG1 ALA 524.A O no hydrogen 2.704 N/A LYS 528.A N PHE 525.A O no hydrogen 3.471 N/A LYS 528.A NZ THR 527.A O no hydrogen 3.521 N/A LEU 530.A N ARG 474.A O no hydrogen 3.003 N/A TRP 531.A N TRP 574.A O no hydrogen 2.949 N/A TRP 531.A NE1 PHE 525.A O no hydrogen 3.040 N/A VAL 532.A N ALA 472.A O no hydrogen 3.075 N/A THR 533.A N VAL 572.A O no hydrogen 2.999 N/A ARG 534.A N GLU 469.A OE2 no hydrogen 2.955 N/A ARG 534.A NH1 ASP 565.A O no hydrogen 2.997 N/A TYR 535.A N ASP 570.A O no hydrogen 2.804 N/A GLU 539.A N ALA 536.A O no hydrogen 3.238 N/A THR 543.A OG1 GLU 269.A OE2 no hydrogen 2.593 N/A GLY 544.A N TYR 541.A O no hydrogen 3.220 N/A ASN 548.A ND2 LEU 88.A O no hydrogen 3.097 N/A GLN 549.A NE2 ARG 140.A O no hydrogen 2.854 N/A HIS 550.A N VAL 547.A O no hydrogen 3.075 N/A GLY 552.A N HIS 550.A ND1 no hydrogen 3.354 N/A GLY 553.A N ARG 521.A O no hydrogen 3.131 N/A LEU 556.A N PRO 542.A O no hydrogen 2.940 N/A SER 558.A N GLY 555.A O no hydrogen 2.810 N/A SER 558.A OG GLY 555.A O no hydrogen 2.754 N/A TYR 559.A N GLY 555.A O no hydrogen 2.992 N/A TYR 559.A OH TYR 541.A O no hydrogen 3.228 N/A ILE 560.A N LEU 556.A O no hydrogen 2.855 N/A GLN 562.A N TYR 559.A O no hydrogen 3.033 N/A GLN 562.A NE2 GLU 539.A OE2 no hydrogen 2.792 N/A GLN 562.A NE2 TYR 559.A O no hydrogen 3.215 N/A ASP 563.A N ILE 560.A O no hydrogen 2.998 N/A ARG 564.A N GLU 469.A OE1 no hydrogen 2.803 N/A ARG 564.A NE GLU 469.A OE1 no hydrogen 2.844 N/A ARG 564.A NE GLU 469.A OE2 no hydrogen 3.299 N/A ARG 564.A NH1 GLU 539.A OE2 no hydrogen 3.317 N/A ARG 564.A NH2 GLU 469.A OE2 no hydrogen 2.852 N/A ARG 564.A NH2 GLU 539.A OE1 no hydrogen 2.874 N/A ARG 564.A NH2 GLU 539.A OE2 no hydrogen 3.287 N/A ILE 566.A N THR 467.A O no hydrogen 2.932 N/A ASP 567.A N ASP 565.A OD1 no hydrogen 2.903 N/A GLY 568.A N ASN 437.A O no hydrogen 3.011 N/A GLN 569.A N ASN 437.A O no hydrogen 2.973 N/A GLN 569.A NE2 ASP 565.A OD2 no hydrogen 3.334 N/A VAL 572.A N THR 533.A O no hydrogen 2.759 N/A VAL 573.A N LEU 428.A O no hydrogen 2.798 N/A TRP 574.A N TRP 531.A O no hydrogen 2.791 N/A TRP 574.A NE1 THR 533.A OG1 no hydrogen 2.803 N/A HIS 575.A N ALA 426.A O no hydrogen 2.986 N/A HIS 575.A ND1 ASP 529.A O no hydrogen 2.796 N/A THR 576.A N ASP 529.A O no hydrogen 2.941 N/A THR 576.A OG1 PHE 525.A O no hydrogen 2.772 N/A THR 576.A OG1 LYS 528.A O no hydrogen 3.056 N/A PHE 577.A N PHE 424.A O no hydrogen 2.975 N/A LEU 579.A N HIS 422.A O no hydrogen 2.827 N/A HIS 581.A N HIS 420.A O no hydrogen 2.737 N/A HIS 581.A NE2 ASP 587.A OD2 no hydrogen 2.713 N/A ARG 584.A N ASP 587.A OD2 no hydrogen 2.993 N/A ARG 584.A NE ASP 587.A OD1 no hydrogen 3.055 N/A GLU 586.A N GLU 586.A OE1 no hydrogen 2.924 N/A ASP 587.A N ARG 584.A O no hydrogen 2.824 N/A TRP 588.A N VAL 585.A O no hydrogen 3.061 N/A MET 591.A N GLY 393.A O no hydrogen 2.920 N/A ASP 594.A N ALA 391.A O no hydrogen 3.016 N/A THR 595.A N ASP 594.A OD1 no hydrogen 2.953 N/A VAL 596.A N ALA 389.A O no hydrogen 3.110 N/A PHE 598.A N PHE 387.A O no hydrogen 3.159 N/A LYS 599.A N HIS 504.A O no hydrogen 3.186 N/A LEU 600.A N ILE 385.A O no hydrogen 2.715 N/A ARG 601.A N LYS 502.A O no hydrogen 2.876 N/A GLU 603.A N GLY 500.A O no hydrogen 2.861 N/A VAL 611.A N SER 609.A OG no hydrogen 3.159 N/A VAL 614.A N VAL 611.A O no hydrogen 3.404 N/A