Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8vkn_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N LEU 1.A O no hydrogen 3.108 N/A ALA 6.A N THR 2.A O no hydrogen 2.901 N/A LYS 7.A N GLU 3.A O no hydrogen 2.894 N/A THR 8.A N GLU 4.A O no hydrogen 2.986 N/A THR 8.A OG1 GLU 4.A O no hydrogen 3.296 N/A THR 8.A OG1 ASN 5.A O no hydrogen 2.843 N/A PHE 9.A N ASN 5.A O no hydrogen 2.878 N/A LEU 10.A N ALA 6.A O no hydrogen 2.898 N/A ASN 11.A N LYS 7.A O no hydrogen 2.971 N/A ASN 12.A N THR 8.A O no hydrogen 2.913 N/A PHE 13.A N PHE 9.A O no hydrogen 2.882 N/A PHE 13.A N LEU 10.A O no hydrogen 3.208 N/A ASN 14.A N LEU 10.A O no hydrogen 2.933 N/A ALA 17.A N PHE 13.A O no hydrogen 2.865 N/A GLU 18.A N ASN 14.A O no hydrogen 2.921 N/A LEU 20.A N GLU 16.A O no hydrogen 3.067 N/A SER 21.A N ALA 17.A O no hydrogen 2.788 N/A TYR 22.A N GLU 18.A O no hydrogen 2.899 N/A TYR 22.A OH ASP 336.A OD2 no hydrogen 3.002 N/A GLN 23.A N ASP 19.A O no hydrogen 2.976 N/A SER 24.A N LEU 20.A O no hydrogen 2.929 N/A SER 25.A N SER 21.A O no hydrogen 2.891 N/A SER 25.A OG SER 21.A O no hydrogen 2.695 N/A LEU 26.A N TYR 22.A O no hydrogen 2.871 N/A ALA 27.A N GLN 23.A O no hydrogen 2.963 N/A SER 28.A N SER 24.A O no hydrogen 2.923 N/A SER 28.A OG SER 24.A O no hydrogen 3.096 N/A TRP 29.A N SER 25.A O no hydrogen 2.870 N/A ASN 30.A N LEU 26.A O no hydrogen 2.902 N/A TYR 31.A N ALA 27.A O no hydrogen 2.944 N/A ASN 32.A N SER 28.A O no hydrogen 2.900 N/A ASN 32.A ND2 SER 28.A O no hydrogen 2.420 N/A THR 33.A N TRP 29.A O no hydrogen 3.054 N/A THR 33.A OG1 TRP 29.A O no hydrogen 2.776 N/A ASN 34.A N TYR 31.A O no hydrogen 3.382 N/A ILE 35.A N LYS 322.A O no hydrogen 2.865 N/A GLU 37.A N GLU 37.A OE1 no hydrogen 2.852 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.803 N/A ASN 39.A ND2 ASN 30.A O no hydrogen 2.769 N/A GLN 41.A N GLU 37.A O no hydrogen 2.942 N/A GLN 41.A NE2 GLU 38.A O no hydrogen 3.486 N/A LYS 42.A N GLU 38.A O no hydrogen 2.945 N/A MET 43.A N ASN 39.A O no hydrogen 2.938 N/A SER 44.A N ALA 40.A O no hydrogen 2.901 N/A SER 44.A OG GLN 41.A O no hydrogen 2.510 N/A GLU 45.A N GLN 41.A O no hydrogen 2.944 N/A ALA 46.A N LYS 42.A O no hydrogen 2.985 N/A ALA 47.A N MET 43.A O no hydrogen 2.926 N/A ALA 48.A N SER 44.A O no hydrogen 2.872 N/A LYS 49.A N GLU 45.A O no hydrogen 2.924 N/A TRP 50.A N ALA 46.A O no hydrogen 2.992 N/A SER 51.A N ALA 47.A O no hydrogen 2.873 N/A SER 51.A OG ALA 47.A O no hydrogen 2.839 N/A SER 51.A OG ALA 48.A O no hydrogen 2.864 N/A ALA 52.A N ALA 48.A O no hydrogen 2.903 N/A PHE 53.A N LYS 49.A O no hydrogen 2.949 N/A TYR 54.A N TRP 50.A O no hydrogen 2.906 N/A GLU 55.A N SER 51.A O no hydrogen 2.927 N/A GLU 56.A N ALA 52.A O no hydrogen 2.951 N/A GLN 57.A N PHE 53.A O no hydrogen 2.922 N/A SER 58.A N TYR 54.A O no hydrogen 2.864 N/A SER 58.A OG LEU 81.A O no hydrogen 3.189 N/A LYS 59.A N GLU 55.A O no hydrogen 2.989 N/A THR 60.A OG1 GLN 57.A O no hydrogen 2.802 N/A ALA 61.A N GLN 57.A O no hydrogen 2.881 N/A GLN 62.A N SER 58.A O no hydrogen 2.956 N/A GLN 62.A NE2 GLN 82.A O no hydrogen 3.319 N/A SER 63.A N THR 60.A O no hydrogen 3.255 N/A SER 63.A OG THR 60.A O no hydrogen 2.808 N/A PHE 64.A N ALA 61.A O no hydrogen 3.391 N/A ILE 69.A N LEU 66.A O no hydrogen 3.518 N/A GLN 70.A N GLU 3.A OE1 no hydrogen 3.326 N/A GLN 70.A NE2 GLU 68.A O no hydrogen 3.540 N/A THR 71.A OG1 GLU 3.A OE2 no hydrogen 2.499 N/A LYS 75.A N THR 71.A O no hydrogen 3.175 N/A ARG 76.A N PRO 72.A O no hydrogen 2.904 N/A ARG 76.A NH1 GLU 191.A O no hydrogen 2.827 N/A GLN 77.A N ILE 73.A O no hydrogen 2.958 N/A LEU 78.A N ILE 74.A O no hydrogen 2.906 N/A GLN 79.A N LYS 75.A O no hydrogen 2.881 N/A ALA 80.A N ARG 76.A O no hydrogen 2.969 N/A LEU 81.A N GLN 77.A O no hydrogen 2.956 N/A GLN 82.A N LEU 78.A O no hydrogen 2.983 N/A GLN 82.A NE2 ALA 61.A O no hydrogen 2.585 N/A GLN 82.A NE2 PHE 64.A O no hydrogen 3.218 N/A SER 87.A OG GLU 55.A OE1 no hydrogen 3.335 N/A SER 87.A OG SER 84.A O no hydrogen 3.441 N/A ASN 94.A N SER 90.A O no hydrogen 2.941 N/A LYS 95.A N ALA 91.A O no hydrogen 2.916 N/A GLN 96.A N ASP 92.A O no hydrogen 2.919 N/A LEU 97.A N LYS 93.A O no hydrogen 2.890 N/A ASN 98.A N ASN 94.A O no hydrogen 2.900 N/A ASN 98.A ND2 ASN 94.A OD1 no hydrogen 3.509 N/A THR 99.A N LYS 95.A O no hydrogen 2.893 N/A THR 99.A OG1 LYS 95.A O no hydrogen 2.541 N/A ILE 100.A N GLN 96.A O no hydrogen 2.941 N/A LEU 101.A N LEU 97.A O no hydrogen 2.906 N/A ASN 102.A N ASN 98.A O no hydrogen 2.876 N/A THR 103.A N THR 99.A O no hydrogen 2.910 N/A MET 104.A N ILE 100.A O no hydrogen 2.938 N/A SER 105.A N LEU 101.A O no hydrogen 2.936 N/A SER 105.A OG LEU 101.A O no hydrogen 2.773 N/A SER 105.A OG ASN 489.A OD1 no hydrogen 2.925 N/A THR 106.A N ASN 102.A O no hydrogen 2.916 N/A ILE 107.A N THR 103.A O no hydrogen 2.926 N/A TYR 108.A N MET 104.A O no hydrogen 2.922 N/A SER 109.A N SER 105.A O no hydrogen 2.987 N/A THR 110.A OG1 THR 106.A O no hydrogen 2.392 N/A GLY 111.A N TYR 108.A O no hydrogen 3.394 N/A VAL 113.A N LEU 123.A O no hydrogen 3.025 N/A CYS 114.A SG ASN 118.A O no hydrogen 4.040 N/A CYS 114.A SG PRO 119.A O no hydrogen 3.428 N/A ASN 115.A N GLU 121.A O no hydrogen 3.141 N/A ASN 118.A N ASN 115.A O no hydrogen 3.304 N/A GLN 120.A N GLN 120.A OE1 no hydrogen 2.867 N/A GLU 121.A N ASN 118.A O no hydrogen 3.189 N/A CYS 122.A SG PRO 119.A O no hydrogen 3.175 N/A LEU 123.A N VAL 113.A O no hydrogen 2.854 N/A LEU 129.A N LEU 124.A O no hydrogen 3.141 N/A ASP 130.A N LEU 125.A O no hydrogen 3.138 N/A ILE 132.A N GLY 128.A O no hydrogen 3.365 N/A MET 133.A N LEU 129.A O no hydrogen 2.990 N/A ALA 134.A N ASP 130.A O no hydrogen 2.849 N/A THR 135.A N GLU 131.A O no hydrogen 2.914 N/A THR 135.A OG1 GLU 131.A O no hydrogen 2.680 N/A THR 135.A OG1 GLU 131.A OE2 no hydrogen 2.818 N/A SER 136.A N ILE 132.A O no hydrogen 3.137 N/A SER 136.A OG ILE 132.A O no hydrogen 2.301 N/A SER 141.A N ASP 138.A OD2 no hydrogen 3.304 N/A SER 141.A OG ASP 138.A O no hydrogen 3.092 N/A ARG 142.A N ASP 138.A O no hydrogen 3.272 N/A ARG 142.A NE HIS 246.A O no hydrogen 2.391 N/A ARG 142.A NH1 MET 133.A O no hydrogen 2.553 N/A ARG 142.A NH1 SER 136.A O no hydrogen 3.134 N/A ARG 142.A NH2 MET 133.A O no hydrogen 2.935 N/A ARG 142.A NH2 HIS 246.A O no hydrogen 3.095 N/A LEU 143.A N TYR 139.A O no hydrogen 2.908 N/A TRP 144.A N ASN 140.A O no hydrogen 2.875 N/A ALA 145.A N SER 141.A O no hydrogen 2.951 N/A TRP 146.A N ARG 142.A O no hydrogen 2.945 N/A GLU 147.A N LEU 143.A O no hydrogen 2.956 N/A GLY 148.A N TRP 144.A O no hydrogen 2.833 N/A TRP 149.A N ALA 145.A O no hydrogen 3.003 N/A ARG 150.A N TRP 146.A O no hydrogen 2.951 N/A ARG 150.A NH1 MET 251.A O no hydrogen 3.091 N/A ALA 151.A N GLU 147.A O no hydrogen 2.855 N/A GLU 152.A N GLY 148.A O no hydrogen 2.945 N/A GLY 154.A N ARG 150.A O no hydrogen 2.806 N/A LYS 155.A N ALA 151.A O no hydrogen 2.988 N/A GLN 156.A N VAL 153.A O no hydrogen 3.263 N/A LEU 157.A N GLY 154.A O no hydrogen 3.303 N/A ARG 158.A NE GLU 162.A OE2 no hydrogen 3.272 N/A ARG 158.A NH1 TYR 478.A O no hydrogen 3.298 N/A ARG 158.A NH2 GLU 162.A OE2 no hydrogen 3.233 N/A TYR 161.A N LEU 157.A O no hydrogen 2.980 N/A GLU 162.A N ARG 158.A O no hydrogen 2.943 N/A GLU 163.A N PRO 159.A O no hydrogen 3.053 N/A TYR 164.A N LEU 160.A O no hydrogen 2.899 N/A TYR 164.A OH ASP 490.A OD1 no hydrogen 2.363 N/A VAL 165.A N TYR 161.A O no hydrogen 2.934 N/A LEU 167.A N GLU 163.A O no hydrogen 2.974 N/A LYS 168.A N TYR 164.A O no hydrogen 2.949 N/A LYS 168.A NZ ASP 490.A OD2 no hydrogen 2.974 N/A ASN 169.A N VAL 165.A O no hydrogen 2.867 N/A ASN 169.A ND2 PHE 445.A O no hydrogen 3.200 N/A GLU 170.A N VAL 166.A O no hydrogen 2.926 N/A MET 171.A N LEU 167.A O no hydrogen 2.953 N/A ALA 172.A N LYS 168.A O no hydrogen 2.911 N/A ARG 173.A N ASN 169.A O no hydrogen 2.895 N/A ARG 173.A NH1 GLU 170.A OE2 no hydrogen 3.239 N/A ARG 173.A NH2 GLU 170.A OE2 no hydrogen 2.806 N/A ALA 174.A N GLU 170.A O no hydrogen 2.871 N/A ASN 175.A N ALA 172.A O no hydrogen 2.945 N/A ASN 175.A ND2 SER 84.A OG no hydrogen 2.832 N/A TYR 177.A N ALA 172.A O no hydrogen 2.900 N/A TYR 180.A OH ASP 490.A OD1 no hydrogen 2.656 N/A TYR 180.A OH ASP 490.A OD2 no hydrogen 2.931 N/A ASP 182.A N ASP 179.A OD1 no hydrogen 3.056 N/A TYR 183.A N ASP 179.A O no hydrogen 3.146 N/A TRP 184.A N TYR 180.A O no hydrogen 2.981 N/A ARG 185.A N GLY 181.A O no hydrogen 2.868 N/A GLY 186.A N TYR 183.A O no hydrogen 3.399 N/A ASP 187.A N TRP 184.A O no hydrogen 3.372 N/A TYR 188.A N ARG 185.A O no hydrogen 3.309 N/A TYR 188.A OH GLU 379.A OE2 no hydrogen 3.198 N/A TYR 188.A OH THR 498.A OG1 no hydrogen 2.619 N/A ALA 190.A N TYR 198.A O no hydrogen 3.129 N/A GLY 192.A N ASN 197.A OD1 no hydrogen 3.235 N/A TYR 196.A N ALA 193.A O no hydrogen 3.169 N/A TYR 196.A OH GLU 552.A OE1 no hydrogen 3.259 N/A TYR 198.A N ALA 190.A O no hydrogen 2.930 N/A TYR 198.A OH ASP 206.A OD2 no hydrogen 2.398 N/A GLN 202.A N ASN 199.A O no hydrogen 3.339 N/A LEU 203.A N ARG 200.A O no hydrogen 3.183 N/A ASP 206.A N GLN 202.A O no hydrogen 2.953 N/A VAL 207.A N LEU 203.A O no hydrogen 2.896 N/A GLU 208.A N ILE 204.A O no hydrogen 2.972 N/A ARG 209.A N GLU 205.A O no hydrogen 2.864 N/A ARG 209.A NE ASP 206.A OD1 no hydrogen 3.354 N/A ARG 209.A NH1 MET 560.A O no hydrogen 3.421 N/A ARG 209.A NH2 ASP 206.A OD1 no hydrogen 3.172 N/A ARG 209.A NH2 MET 560.A O no hydrogen 2.874 N/A THR 210.A N ASP 206.A O no hydrogen 2.914 N/A THR 210.A OG1 ASP 206.A O no hydrogen 3.045 N/A THR 210.A OG1 VAL 207.A O no hydrogen 2.837 N/A THR 210.A OG1 TYR 497.A OH no hydrogen 2.953 N/A PHE 211.A N VAL 207.A O no hydrogen 2.895 N/A PHE 211.A N GLU 208.A O no hydrogen 3.161 N/A ALA 212.A N ARG 209.A O no hydrogen 3.154 N/A TYR 218.A N ILE 214.A O no hydrogen 2.904 N/A TYR 218.A OH VAL 466.A O no hydrogen 2.399 N/A GLU 219.A N LYS 215.A O no hydrogen 2.845 N/A HIS 220.A N PRO 216.A O no hydrogen 2.967 N/A LEU 221.A N LEU 217.A O no hydrogen 2.963 N/A HIS 222.A N TYR 218.A O no hydrogen 2.793 N/A HIS 222.A NE2 GLY 467.A O no hydrogen 2.985 N/A ALA 223.A N GLU 219.A O no hydrogen 2.910 N/A TYR 224.A N HIS 220.A O no hydrogen 2.993 N/A VAL 225.A N LEU 221.A O no hydrogen 2.890 N/A ARG 226.A N HIS 222.A O no hydrogen 2.855 N/A ARG 226.A NH1 PHE 584.A O no hydrogen 3.089 N/A ARG 227.A N ALA 223.A O no hydrogen 2.958 N/A ARG 227.A NH1 ASN 580.A OD1 no hydrogen 2.716 N/A ARG 227.A NH2 ASN 580.A OD1 no hydrogen 3.358 N/A LYS 228.A N TYR 224.A O no hydrogen 2.991 N/A LEU 229.A N VAL 225.A O no hydrogen 2.854 N/A MET 230.A N ARG 226.A O no hydrogen 2.869 N/A ASP 231.A N ARG 227.A O no hydrogen 2.958 N/A THR 232.A N LYS 228.A O no hydrogen 2.970 N/A THR 232.A OG1 LYS 228.A O no hydrogen 3.197 N/A TYR 233.A N LEU 229.A O no hydrogen 2.506 N/A CYS 242.A SG ARG 463.A O no hydrogen 3.725 N/A CYS 242.A SG ASN 588.A O no hydrogen 3.463 N/A LEU 243.A N GLY 467.A O no hydrogen 3.174 N/A TRP 252.A NE1 SER 483.A O no hydrogen 2.855 N/A PHE 255.A N ASP 250.A OD2 no hydrogen 3.126 N/A TRP 256.A N LEU 425.A O no hydrogen 3.214 N/A THR 257.A OG1 THR 426.A OG1 no hydrogen 3.390 N/A ASN 258.A ND2 GLY 249.A O no hydrogen 2.678 N/A LEU 259.A N TRP 256.A O no hydrogen 3.143 N/A THR 263.A N LEU 259.A O no hydrogen 2.881 N/A THR 263.A OG1 LEU 259.A O no hydrogen 2.612 N/A ILE 272.A N ASN 271.A OD1 no hydrogen 2.650 N/A THR 275.A OG1 ASP 273.A OD1 no hydrogen 2.729 N/A THR 275.A OG1 ASP 273.A OD2 no hydrogen 3.426 N/A MET 278.A N VAL 274.A O no hydrogen 3.251 N/A MET 279.A N THR 275.A O no hydrogen 2.973 N/A ASN 280.A N ASP 276.A O no hydrogen 2.886 N/A GLN 281.A N ALA 277.A O no hydrogen 3.156 N/A GLN 281.A NE2 GLY 403.A O no hydrogen 3.038 N/A TRP 283.A N MET 278.A O no hydrogen 3.034 N/A TRP 283.A NE1 GLN 281.A OE1 no hydrogen 3.069 N/A ARG 287.A NH1 GLU 291.A OE2 no hydrogen 2.836 N/A ILE 288.A N ASP 284.A O no hydrogen 3.043 N/A PHE 289.A N ALA 285.A O no hydrogen 3.012 N/A GLN 290.A N GLU 286.A O no hydrogen 2.905 N/A GLU 291.A N ARG 287.A O no hydrogen 2.880 N/A ALA 292.A N ILE 288.A O no hydrogen 2.999 N/A GLU 293.A N PHE 289.A O no hydrogen 2.889 N/A LYS 294.A N GLN 290.A O no hydrogen 2.877 N/A LYS 294.A NZ GLU 291.A OE2 no hydrogen 3.278 N/A PHE 295.A N GLU 291.A O no hydrogen 2.965 N/A PHE 296.A N ALA 292.A O no hydrogen 2.998 N/A VAL 297.A N GLU 293.A O no hydrogen 2.925 N/A SER 298.A N LYS 294.A O no hydrogen 2.938 N/A SER 298.A OG PHE 295.A O no hydrogen 2.868 N/A VAL 299.A N PHE 295.A O no hydrogen 3.230 N/A MET 304.A N GLU 293.A OE2 no hydrogen 3.151 N/A PHE 308.A N THR 305.A O no hydrogen 3.264 N/A PHE 308.A N THR 305.A OG1 no hydrogen 2.888 N/A ALA 310.A N GLN 306.A O no hydrogen 2.968 N/A ASN 311.A N GLY 307.A O no hydrogen 2.882 N/A SER 312.A N PHE 308.A O no hydrogen 3.306 N/A SER 312.A OG PHE 308.A O no hydrogen 2.912 N/A VAL 324.A N ASN 32.A O no hydrogen 3.322 N/A THR 328.A N LYS 340.A O no hydrogen 2.888 N/A THR 328.A OG1 HIS 326.A O no hydrogen 3.508 N/A TRP 330.A N ARG 338.A O no hydrogen 2.832 N/A LEU 332.A N ASP 336.A O no hydrogen 2.945 N/A ASP 336.A N GLY 333.A O no hydrogen 3.112 N/A ARG 338.A N TRP 330.A O no hydrogen 2.919 N/A ARG 338.A NE ASP 336.A OD1 no hydrogen 3.353 N/A ARG 338.A NE ASP 336.A OD2 no hydrogen 3.049 N/A ARG 338.A NH2 ASP 336.A OD2 no hydrogen 2.786 N/A ILE 339.A N SER 312.A OG no hydrogen 2.926 N/A LYS 340.A N THR 328.A O no hydrogen 2.884 N/A LYS 340.A NZ VAL 324.A O no hydrogen 2.844 N/A LYS 340.A NZ HIS 326.A O no hydrogen 2.616 N/A MET 341.A N MET 313.A O no hydrogen 3.251 N/A CYS 342.A SG GLU 316.A OE2 no hydrogen 3.203 N/A CYS 342.A SG VAL 324.A O no hydrogen 3.981 N/A THR 343.A OG1 LEU 314.A O no hydrogen 3.449 N/A THR 343.A OG1 MET 341.A O no hydrogen 3.436 N/A THR 346.A N LYS 344.A O no hydrogen 2.950 N/A MET 347.A N THR 275.A OG1 no hydrogen 3.309 N/A ASN 349.A N THR 346.A OG1 no hydrogen 3.409 N/A ASN 349.A ND2 LYS 344.A O no hydrogen 3.177 N/A PHE 350.A N THR 346.A O no hydrogen 3.263 N/A LEU 351.A N MET 347.A O no hydrogen 3.009 N/A THR 352.A N ASP 348.A O no hydrogen 2.868 N/A THR 352.A OG1 ASP 348.A O no hydrogen 2.473 N/A ALA 353.A N ASN 349.A O no hydrogen 2.845 N/A HIS 354.A N PHE 350.A O no hydrogen 3.074 N/A HIS 355.A N LEU 351.A O no hydrogen 2.946 N/A HIS 355.A NE2 GLU 383.A OE1 no hydrogen 3.075 N/A GLU 356.A N THR 352.A O no hydrogen 2.898 N/A MET 357.A N ALA 353.A O no hydrogen 2.914 N/A GLY 358.A N HIS 354.A O no hydrogen 2.918 N/A HIS 359.A N HIS 355.A O no hydrogen 3.025 N/A ILE 360.A N GLU 356.A O no hydrogen 2.970 N/A GLN 361.A N MET 357.A O no hydrogen 2.863 N/A GLN 361.A NE2 PRO 302.A O no hydrogen 2.740 N/A TYR 362.A N GLY 358.A O no hydrogen 2.987 N/A ASP 363.A N HIS 359.A O no hydrogen 2.941 N/A MET 364.A N ILE 360.A O no hydrogen 2.797 N/A ALA 365.A N GLN 361.A O no hydrogen 3.007 N/A TYR 366.A OH HIS 382.A NE2 no hydrogen 3.049 N/A ALA 367.A N MET 364.A O no hydrogen 3.434 N/A GLN 369.A N TYR 366.A O no hydrogen 3.264 N/A GLN 369.A NE2 SER 540.A O no hydrogen 2.896 N/A LEU 373.A N PRO 370.A O no hydrogen 3.066 N/A ARG 374.A N PHE 371.A O no hydrogen 3.446 N/A ARG 374.A NE GLN 369.A O no hydrogen 2.884 N/A ARG 374.A NH2 GLN 369.A O no hydrogen 3.168 N/A ASN 375.A N ASN 543.A OD1 no hydrogen 3.077 N/A ALA 377.A N TYR 362.A OH no hydrogen 3.137 N/A ASN 378.A ND2 TYR 502.A OH no hydrogen 3.393 N/A GLY 380.A N ASN 378.A OD1 no hydrogen 2.842 N/A PHE 381.A N ASN 378.A OD1 no hydrogen 3.212 N/A HIS 382.A NE2 ASP 363.A OD1 no hydrogen 2.847 N/A HIS 382.A NE2 TYR 366.A OH no hydrogen 3.049 N/A ALA 384.A N GLY 380.A O no hydrogen 3.172 N/A VAL 385.A N PHE 381.A O no hydrogen 3.021 N/A GLY 386.A N GLU 383.A O no hydrogen 3.295 N/A GLU 387.A N GLU 383.A O no hydrogen 2.971 N/A ILE 388.A N ALA 384.A O no hydrogen 3.001 N/A SER 390.A N GLY 386.A O no hydrogen 3.030 N/A LEU 391.A N GLU 387.A O no hydrogen 2.901 N/A SER 392.A N ILE 388.A O no hydrogen 2.971 N/A SER 392.A OG ILE 388.A O no hydrogen 3.246 N/A SER 392.A OG GLN 507.A OE1 no hydrogen 3.404 N/A ALA 393.A N MET 389.A O no hydrogen 2.943 N/A THR 395.A OG1 SER 392.A O no hydrogen 3.147 N/A HIS 398.A N THR 395.A OG1 no hydrogen 3.335 N/A HIS 398.A ND1 ALA 393.A O no hydrogen 3.147 N/A LEU 399.A N THR 395.A O no hydrogen 3.071 N/A LYS 400.A N PRO 396.A O no hydrogen 2.942 N/A LYS 400.A NZ GLU 411.A OE1 no hydrogen 3.561 N/A LYS 400.A NZ GLU 411.A OE2 no hydrogen 2.886 N/A SER 401.A N LYS 397.A O no hydrogen 2.934 N/A SER 401.A OG LYS 397.A O no hydrogen 2.615 N/A ILE 402.A N HIS 398.A O no hydrogen 3.242 N/A LEU 405.A N LEU 399.A O no hydrogen 3.101 N/A PHE 409.A N PRO 406.A O no hydrogen 3.300 N/A ILE 417.A N SER 413.A O no hydrogen 2.920 N/A ASN 418.A N GLU 414.A O no hydrogen 3.001 N/A PHE 419.A N THR 415.A O no hydrogen 2.943 N/A LEU 420.A N GLU 416.A O no hydrogen 2.912 N/A LEU 421.A N ILE 417.A O no hydrogen 2.914 N/A LYS 422.A N ASN 418.A O no hydrogen 2.984 N/A GLN 423.A N PHE 419.A O no hydrogen 2.966 N/A GLN 423.A NE2 TYR 568.A OH no hydrogen 3.466 N/A ALA 424.A N LEU 420.A O no hydrogen 2.865 N/A LEU 425.A N LEU 421.A O no hydrogen 2.894 N/A THR 426.A N LYS 422.A O no hydrogen 3.047 N/A THR 426.A OG1 THR 257.A OG1 no hydrogen 3.390 N/A THR 426.A OG1 LYS 422.A O no hydrogen 2.893 N/A ILE 427.A N GLN 423.A O no hydrogen 2.821 N/A VAL 428.A N ALA 424.A O no hydrogen 2.705 N/A GLY 429.A N ALA 424.A O no hydrogen 3.005 N/A THR 430.A OG1 ARG 254.A O no hydrogen 2.999 N/A LEU 431.A N VAL 428.A O no hydrogen 3.186 N/A THR 434.A N THR 430.A O no hydrogen 2.943 N/A THR 434.A OG1 THR 430.A O no hydrogen 2.699 N/A TYR 435.A N LEU 431.A O no hydrogen 2.956 N/A MET 436.A N PRO 432.A O no hydrogen 2.894 N/A LEU 437.A N PHE 433.A O no hydrogen 2.959 N/A GLU 438.A N THR 434.A O no hydrogen 3.003 N/A LYS 439.A N TYR 435.A O no hydrogen 2.896 N/A LYS 439.A NZ GLU 208.A OE2 no hydrogen 3.214 N/A TRP 440.A N MET 436.A O no hydrogen 2.929 N/A ARG 441.A N LEU 437.A O no hydrogen 2.951 N/A ARG 441.A NE GLU 438.A OE2 no hydrogen 3.060 N/A ARG 441.A NH1 TYR 491.A O no hydrogen 3.019 N/A ARG 441.A NH2 GLU 438.A OE2 no hydrogen 2.961 N/A ARG 441.A NH2 TYR 491.A O no hydrogen 2.582 N/A TRP 442.A N GLU 438.A O no hydrogen 2.889 N/A MET 443.A N LYS 439.A O no hydrogen 2.981 N/A VAL 444.A N TRP 440.A O no hydrogen 2.899 N/A PHE 445.A N ARG 441.A O no hydrogen 2.934 N/A ARG 446.A N TRP 442.A O no hydrogen 2.902 N/A ARG 446.A NH1 GLU 448.A OE1 no hydrogen 3.013 N/A GLY 447.A N MET 443.A O no hydrogen 3.105 N/A GLY 447.A N VAL 444.A O no hydrogen 3.249 N/A ILE 449.A N MET 443.A O no hydrogen 3.210 N/A GLN 453.A N PRO 450.A O no hydrogen 3.244 N/A MET 455.A N GLU 476.A OE1 no hydrogen 2.710 N/A LYS 456.A N GLU 476.A OE2 no hydrogen 3.199 N/A LYS 457.A N TRP 454.A O no hydrogen 2.996 N/A TRP 458.A N TRP 454.A O no hydrogen 3.116 N/A TRP 459.A N MET 455.A O no hydrogen 3.055 N/A TRP 459.A NE1 ASP 480.A OD2 no hydrogen 2.761 N/A GLU 460.A N LYS 457.A O no hydrogen 2.990 N/A MET 461.A N LYS 457.A O no hydrogen 3.098 N/A LYS 462.A N TRP 458.A O no hydrogen 2.949 N/A ARG 463.A NE GLU 470.A OE1 no hydrogen 3.160 N/A ARG 463.A NE GLU 470.A OE2 no hydrogen 3.348 N/A ARG 463.A NH1 THR 589.A O no hydrogen 2.741 N/A ARG 463.A NH2 GLU 470.A OE2 no hydrogen 2.618 N/A GLU 464.A N MET 461.A O no hydrogen 2.959 N/A ILE 465.A N MET 461.A O no hydrogen 2.500 N/A VAL 468.A N LYS 462.A O no hydrogen 2.663 N/A VAL 469.A N LEU 243.A O no hydrogen 2.716 N/A GLU 470.A N GLU 470.A OE1 no hydrogen 2.770 N/A HIS 474.A ND1 ASP 480.A OD1 no hydrogen 3.077 N/A HIS 474.A NE2 GLU 147.A OE1 no hydrogen 3.061 N/A ASP 475.A N ASP 475.A OD1 no hydrogen 2.415 N/A TYR 478.A N ASP 475.A O no hydrogen 3.456 N/A SER 483.A OG ASP 480.A O no hydrogen 2.857 N/A LEU 484.A N PRO 481.A O no hydrogen 2.956 N/A SER 488.A N LEU 484.A O no hydrogen 3.310 N/A SER 488.A OG LEU 484.A O no hydrogen 3.177 N/A SER 488.A OG PHE 485.A O no hydrogen 3.538 N/A ASN 489.A ND2 PHE 485.A O no hydrogen 2.866 N/A TYR 491.A N HIS 486.A O no hydrogen 2.750 N/A ARG 495.A NH1 SER 492.A O no hydrogen 3.348 N/A TYR 496.A N PHE 493.A O no hydrogen 3.497 N/A TYR 496.A OH HIS 486.A NE2 no hydrogen 2.786 N/A TYR 497.A OH VAL 207.A O no hydrogen 3.217 N/A TYR 497.A OH THR 210.A OG1 no hydrogen 2.953 N/A THR 498.A N ILE 494.A O no hydrogen 3.032 N/A THR 498.A OG1 TYR 188.A OH no hydrogen 2.619 N/A THR 498.A OG1 ILE 494.A O no hydrogen 3.239 N/A THR 498.A OG1 ARG 495.A O no hydrogen 3.020 N/A ARG 499.A N ARG 495.A O no hydrogen 2.824 N/A THR 500.A N TYR 496.A O no hydrogen 2.950 N/A THR 500.A OG1 TYR 496.A O no hydrogen 2.766 N/A ILE 501.A N TYR 497.A O no hydrogen 3.097 N/A TYR 502.A N THR 498.A O no hydrogen 2.922 N/A GLN 503.A N ARG 499.A O no hydrogen 2.918 N/A GLN 505.A N ILE 501.A O no hydrogen 3.104 N/A GLN 505.A NE2 ASN 559.A O no hydrogen 3.498 N/A PHE 506.A N TYR 502.A O no hydrogen 2.885 N/A GLN 507.A N GLN 503.A O no hydrogen 2.952 N/A GLN 507.A NE2 CYS 523.A O no hydrogen 3.642 N/A GLU 508.A N PHE 504.A O no hydrogen 2.939 N/A ALA 509.A N GLN 505.A O no hydrogen 3.023 N/A LEU 510.A N PHE 506.A O no hydrogen 2.926 N/A CYS 511.A N GLN 507.A O no hydrogen 2.918 N/A CYS 511.A SG GLN 507.A O no hydrogen 3.190 N/A GLN 512.A N GLU 508.A O no hydrogen 2.899 N/A ALA 513.A N ALA 509.A O no hydrogen 2.922 N/A ALA 514.A N LEU 510.A O no hydrogen 2.836 N/A LYS 515.A N GLN 512.A O no hydrogen 3.368 N/A LYS 515.A NZ GLU 530.A OE2 no hydrogen 3.189 N/A TYR 516.A N CYS 511.A O no hydrogen 3.091 N/A SER 519.A OG HIS 521.A ND1 no hydrogen 3.109 N/A HIS 521.A NE2 GLU 416.A OE1 no hydrogen 2.654 N/A LYS 522.A N SER 519.A O no hydrogen 3.293 N/A CYS 523.A N LEU 520.A O no hydrogen 3.283 N/A SER 526.A OG ASP 524.A OD1 no hydrogen 2.952 N/A SER 526.A OG ASP 524.A OD2 no hydrogen 2.854 N/A THR 529.A OG1 GLU 530.A OE1 no hydrogen 3.362 N/A GLU 530.A N GLU 530.A OE1 no hydrogen 2.718 N/A GLY 532.A N SER 528.A O no hydrogen 3.214 N/A GLN 533.A N THR 529.A O no hydrogen 2.917 N/A LYS 534.A N GLU 530.A O no hydrogen 2.904 N/A LYS 534.A NZ VAL 554.A O no hydrogen 3.296 N/A LEU 535.A N ALA 531.A O no hydrogen 2.928 N/A LEU 536.A N GLY 532.A O no hydrogen 2.867 N/A LYS 537.A N GLN 533.A O no hydrogen 2.998 N/A MET 538.A N LEU 535.A O no hydrogen 2.914 N/A LEU 539.A N LEU 535.A O no hydrogen 2.981 N/A SER 540.A N LEU 536.A O no hydrogen 2.913 N/A SER 540.A OG LEU 536.A O no hydrogen 3.190 N/A SER 540.A OG LYS 537.A O no hydrogen 3.179 N/A LEU 541.A N MET 538.A O no hydrogen 3.207 N/A SER 544.A N LEU 541.A O no hydrogen 3.328 N/A TRP 547.A NE1 TYR 188.A O no hydrogen 2.745 N/A THR 548.A OG1 TYR 196.A O no hydrogen 3.034 N/A LYS 549.A N PRO 546.A O no hydrogen 3.025 N/A LYS 549.A NZ GLU 545.A OE1 no hydrogen 3.245 N/A ALA 550.A N PRO 546.A O no hydrogen 3.317 N/A LEU 551.A N TRP 547.A O no hydrogen 2.913 N/A GLU 552.A N THR 548.A O no hydrogen 2.892 N/A ASN 553.A N LYS 549.A O no hydrogen 2.879 N/A VAL 554.A N ALA 550.A O no hydrogen 3.081 N/A VAL 555.A N LEU 551.A O no hydrogen 2.863 N/A GLY 556.A N GLU 552.A O no hydrogen 2.937 N/A ASN 559.A ND2 ASP 206.A OD1 no hydrogen 2.767 N/A ASN 559.A ND2 ASP 206.A OD2 no hydrogen 3.181 N/A ASP 561.A N GLN 505.A OE1 no hydrogen 2.830 N/A LYS 563.A N ASP 561.A OD1 no hydrogen 3.319 N/A LEU 566.A N VAL 562.A O no hydrogen 2.961 N/A ASN 567.A N LYS 563.A O no hydrogen 2.904 N/A TYR 568.A N PRO 564.A O no hydrogen 2.904 N/A PHE 569.A N LEU 565.A O no hydrogen 3.260 N/A GLN 570.A NE2 LEU 566.A O no hydrogen 3.540 N/A PHE 573.A N PHE 569.A O no hydrogen 2.800 N/A ASP 574.A N GLN 570.A O no hydrogen 2.955 N/A TRP 575.A N PRO 571.A O no hydrogen 2.956 N/A LEU 576.A N LEU 572.A O no hydrogen 2.826 N/A LYS 577.A N PHE 573.A O no hydrogen 2.923 N/A GLU 578.A N ASP 574.A O no hydrogen 2.989 N/A GLN 579.A N TRP 575.A O no hydrogen 3.109 N/A ASN 580.A N LYS 577.A O no hydrogen 3.515 N/A ASN 580.A ND2 HIS 220.A ND1 no hydrogen 3.197 N/A ASN 580.A ND2 HIS 220.A O no hydrogen 3.206 N/A ARG 581.A NE GLU 578.A O no hydrogen 3.230 N/A ASN 588.A N THR 240.A O no hydrogen 2.940 N/A THR 589.A OG1 GLU 590.A OE1 no hydrogen 3.275 N/A GLU 590.A N GLU 590.A OE1 no hydrogen 2.855 N/A