Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8vqr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 GLU 67.A OE1 no hydrogen 3.456 N/A LEU 4.A N THR 1.A O no hydrogen 3.177 N/A ASN 6.A ND2 GLU 2.A OE1 no hydrogen 3.514 N/A THR 7.A N ASP 3.A O no hydrogen 3.355 N/A THR 7.A OG1 LEU 4.A O no hydrogen 2.886 N/A PHE 8.A N LEU 4.A O no hydrogen 2.976 N/A LEU 9.A N VAL 5.A O no hydrogen 2.865 N/A GLU 10.A N ASN 6.A O no hydrogen 2.990 N/A LYS 11.A N PHE 8.A O no hydrogen 3.255 N/A LYS 11.A NZ GLU 15.A OE2 no hydrogen 3.033 N/A PHE 12.A N PHE 8.A O no hydrogen 3.014 N/A ASN 13.A N LEU 9.A O no hydrogen 2.699 N/A GLU 15.A N LYS 11.A O no hydrogen 2.890 N/A ALA 16.A N PHE 12.A O no hydrogen 2.779 N/A GLU 17.A N ASN 13.A O no hydrogen 3.363 N/A LEU 19.A N GLU 15.A O no hydrogen 3.225 N/A SER 20.A N ALA 16.A O no hydrogen 2.725 N/A TYR 21.A N GLU 17.A O no hydrogen 3.253 N/A TYR 21.A OH ASP 335.A OD2 no hydrogen 2.681 N/A GLN 22.A N GLU 18.A O no hydrogen 3.048 N/A SER 23.A N LEU 19.A O no hydrogen 2.968 N/A SER 23.A OG LEU 19.A O no hydrogen 3.390 N/A SER 23.A OG SER 20.A O no hydrogen 3.126 N/A SER 24.A N SER 20.A O no hydrogen 2.904 N/A SER 24.A OG SER 20.A O no hydrogen 2.618 N/A LEU 25.A N TYR 21.A O no hydrogen 2.829 N/A ALA 26.A N GLN 22.A O no hydrogen 2.981 N/A SER 27.A N SER 23.A O no hydrogen 3.002 N/A TRP 28.A N SER 24.A O no hydrogen 3.012 N/A ASN 29.A N LEU 25.A O no hydrogen 3.364 N/A ASN 29.A ND2 LEU 25.A O no hydrogen 2.748 N/A TYR 30.A N ALA 26.A O no hydrogen 3.450 N/A ASN 31.A N SER 27.A O no hydrogen 3.289 N/A ASN 31.A ND2 SER 27.A O no hydrogen 2.794 N/A THR 32.A N TRP 28.A O no hydrogen 2.824 N/A THR 32.A OG1 TRP 28.A O no hydrogen 2.722 N/A ASN 33.A N TYR 30.A O no hydrogen 3.062 N/A GLU 37.A N THR 35.A OG1 no hydrogen 3.105 N/A VAL 39.A N THR 35.A O no hydrogen 2.692 N/A GLN 40.A N GLU 36.A O no hydrogen 3.087 N/A GLN 40.A NE2 ASN 44.A OD1 no hydrogen 3.196 N/A ASN 41.A N GLU 37.A O no hydrogen 3.399 N/A ASN 41.A ND2 GLU 37.A OE2 no hydrogen 2.612 N/A MET 42.A N ASN 38.A O no hydrogen 2.822 N/A ASN 43.A N VAL 39.A O no hydrogen 3.118 N/A ASN 44.A N GLN 40.A O no hydrogen 2.896 N/A ALA 45.A N ASN 41.A O no hydrogen 3.183 N/A GLY 46.A N MET 42.A O no hydrogen 3.012 N/A ASP 47.A N ASN 43.A O no hydrogen 2.718 N/A LYS 48.A N ASN 44.A O no hydrogen 3.068 N/A TRP 49.A N ALA 45.A O no hydrogen 3.237 N/A SER 50.A N GLY 46.A O no hydrogen 2.923 N/A SER 50.A OG GLY 46.A O no hydrogen 2.771 N/A ALA 51.A N ASP 47.A O no hydrogen 2.842 N/A PHE 52.A N LYS 48.A O no hydrogen 2.918 N/A LEU 53.A N TRP 49.A O no hydrogen 3.295 N/A LYS 54.A N SER 50.A O no hydrogen 3.090 N/A GLU 55.A N ALA 51.A O no hydrogen 3.300 N/A GLN 56.A N PHE 52.A O no hydrogen 2.960 N/A SER 57.A N LEU 53.A O no hydrogen 3.034 N/A SER 57.A OG LEU 80.A O no hydrogen 2.445 N/A LYS 58.A N LYS 54.A O no hydrogen 3.263 N/A LEU 59.A N GLU 55.A O no hydrogen 2.930 N/A ALA 60.A N GLN 56.A O no hydrogen 2.816 N/A LYS 61.A N SER 57.A O no hydrogen 3.121 N/A LYS 61.A NZ GLY 84.A O no hydrogen 2.967 N/A THR 62.A N LEU 59.A O no hydrogen 3.195 N/A THR 62.A OG1 LEU 59.A O no hydrogen 2.418 N/A TYR 63.A N ALA 60.A O no hydrogen 3.288 N/A ILE 68.A N LEU 65.A O no hydrogen 3.339 N/A ASP 70.A N GLU 2.A OE2 no hydrogen 3.399 N/A LYS 74.A N ASP 70.A O no hydrogen 2.722 N/A LYS 74.A NZ LEU 65.A O no hydrogen 3.165 N/A ARG 75.A N SER 71.A O no hydrogen 2.854 N/A ARG 75.A NH1 GLU 544.A OE1 no hydrogen 3.208 N/A GLN 76.A N THR 72.A O no hydrogen 3.242 N/A GLN 76.A NE2 THR 72.A O no hydrogen 3.504 N/A LEU 77.A N VAL 73.A O no hydrogen 3.201 N/A GLN 78.A N LYS 74.A O no hydrogen 3.158 N/A ALA 79.A N ARG 75.A O no hydrogen 3.328 N/A LEU 80.A N GLN 76.A O no hydrogen 3.441 N/A GLN 81.A N LEU 77.A O no hydrogen 2.914 N/A GLN 81.A NE2 ALA 60.A O no hydrogen 2.780 N/A GLN 81.A NE2 TYR 63.A O no hydrogen 2.922 N/A GLN 82.A N GLN 78.A O no hydrogen 2.727 N/A ASN 83.A N LEU 80.A O no hydrogen 3.126 N/A GLY 84.A N GLN 81.A O no hydrogen 3.106 N/A SER 85.A OG ASN 174.A OD1 no hydrogen 2.975 N/A VAL 87.A N SER 85.A O no hydrogen 3.002 N/A ASP 91.A N SER 89.A OG no hydrogen 3.197 N/A SER 93.A N SER 89.A O no hydrogen 2.872 N/A SER 93.A OG SER 89.A O no hydrogen 3.024 N/A SER 93.A OG GLU 90.A O no hydrogen 3.330 N/A LYS 94.A N GLU 90.A O no hydrogen 3.287 N/A LYS 94.A NZ GLU 90.A OE2 no hydrogen 3.174 N/A ARG 95.A N ASP 91.A O no hydrogen 2.929 N/A LEU 96.A N LYS 92.A O no hydrogen 2.789 N/A ASN 97.A N SER 93.A O no hydrogen 2.865 N/A THR 98.A N LYS 94.A O no hydrogen 3.037 N/A THR 98.A OG1 LYS 94.A O no hydrogen 2.667 N/A ILE 99.A N ARG 95.A O no hydrogen 2.637 N/A LEU 100.A N LEU 96.A O no hydrogen 2.808 N/A ASN 101.A N ASN 97.A O no hydrogen 3.044 N/A THR 102.A N THR 98.A O no hydrogen 2.822 N/A THR 102.A OG1 THR 98.A O no hydrogen 2.625 N/A MET 103.A N ILE 99.A O no hydrogen 2.958 N/A SER 104.A N LEU 100.A O no hydrogen 3.303 N/A SER 104.A OG ASN 488.A OD1 no hydrogen 3.180 N/A THR 105.A N ASN 101.A O no hydrogen 2.945 N/A THR 105.A OG1 ASN 101.A O no hydrogen 2.968 N/A THR 105.A OG1 THR 102.A O no hydrogen 2.739 N/A ILE 106.A N THR 102.A O no hydrogen 2.892 N/A TYR 107.A N MET 103.A O no hydrogen 3.009 N/A SER 108.A N SER 104.A O no hydrogen 3.032 N/A SER 108.A OG SER 104.A O no hydrogen 2.718 N/A SER 108.A OG THR 105.A O no hydrogen 3.221 N/A THR 109.A N THR 105.A O no hydrogen 2.803 N/A THR 109.A OG1 THR 105.A O no hydrogen 2.462 N/A VAL 112.A N LEU 122.A O no hydrogen 2.693 N/A ASN 114.A N GLU 120.A O no hydrogen 2.945 N/A ASN 117.A N ASN 114.A OD1 no hydrogen 2.754 N/A ASN 117.A ND2 GLN 119.A OE1 no hydrogen 3.660 N/A GLU 120.A N ASN 117.A O no hydrogen 3.158 N/A CYS 121.A SG PRO 118.A O no hydrogen 3.500 N/A LEU 122.A N VAL 112.A O no hydrogen 2.474 N/A LEU 128.A N LEU 123.A O no hydrogen 3.270 N/A ASN 129.A N LEU 124.A O no hydrogen 3.141 N/A ILE 131.A N GLY 127.A O no hydrogen 2.959 N/A MET 132.A N LEU 128.A O no hydrogen 2.953 N/A ALA 133.A N ASN 129.A O no hydrogen 3.106 N/A ASN 134.A N GLU 130.A O no hydrogen 3.112 N/A SER 135.A N ILE 131.A O no hydrogen 3.020 N/A SER 135.A OG GLU 140.A OE1 no hydrogen 2.718 N/A ASP 137.A N SER 135.A OG no hydrogen 3.224 N/A GLU 140.A N ASP 137.A OD1 no hydrogen 2.697 N/A ARG 141.A N ASP 137.A O no hydrogen 2.974 N/A ARG 141.A NE HIS 245.A O no hydrogen 2.553 N/A ARG 141.A NH1 MET 132.A O no hydrogen 2.816 N/A ARG 141.A NH1 SER 135.A O no hydrogen 2.792 N/A ARG 141.A NH2 MET 132.A O no hydrogen 2.815 N/A ARG 141.A NH2 HIS 245.A O no hydrogen 2.919 N/A LEU 142.A N TYR 138.A O no hydrogen 2.894 N/A TRP 143.A N ASN 139.A O no hydrogen 2.810 N/A ALA 144.A N GLU 140.A O no hydrogen 3.217 N/A TRP 145.A N ARG 141.A O no hydrogen 2.904 N/A GLU 146.A N LEU 142.A O no hydrogen 2.857 N/A SER 147.A N TRP 143.A O no hydrogen 2.688 N/A SER 147.A OG TRP 143.A O no hydrogen 2.639 N/A TRP 148.A N ALA 144.A O no hydrogen 3.190 N/A TRP 148.A NE1 SER 482.A O no hydrogen 2.883 N/A ARG 149.A N GLU 146.A O no hydrogen 3.207 N/A ARG 149.A NH1 TRP 145.A O no hydrogen 3.263 N/A ARG 149.A NH1 MET 250.A O no hydrogen 3.096 N/A ARG 149.A NH2 MET 250.A O no hydrogen 3.044 N/A SER 150.A N GLU 146.A O no hydrogen 2.747 N/A SER 150.A N SER 147.A O no hydrogen 3.131 N/A SER 150.A OG GLU 146.A O no hydrogen 2.900 N/A SER 150.A OG SER 147.A O no hydrogen 3.320 N/A GLU 151.A N SER 147.A O no hydrogen 2.799 N/A LYS 154.A NZ THR 476.A OG1 no hydrogen 3.278 N/A GLN 155.A N GLU 151.A O no hydrogen 3.368 N/A GLN 155.A NE2 GLU 151.A O no hydrogen 3.525 N/A LEU 156.A N VAL 152.A O no hydrogen 3.322 N/A ARG 157.A N LYS 154.A O no hydrogen 3.034 N/A ARG 157.A NE TYR 477.A O no hydrogen 2.857 N/A ARG 157.A NH2 LYS 450.A O no hydrogen 3.363 N/A TYR 160.A N LEU 156.A O no hydrogen 2.865 N/A GLU 161.A N ARG 157.A O no hydrogen 3.133 N/A GLU 162.A N PRO 158.A O no hydrogen 3.234 N/A TYR 163.A N LEU 159.A O no hydrogen 2.774 N/A TYR 163.A OH ASP 489.A OD1 no hydrogen 2.757 N/A VAL 164.A N TYR 160.A O no hydrogen 3.014 N/A VAL 165.A N GLU 161.A O no hydrogen 3.353 N/A LEU 166.A N GLU 162.A O no hydrogen 3.116 N/A LYS 167.A N TYR 163.A O no hydrogen 3.110 N/A LYS 167.A NZ TYR 179.A OH no hydrogen 3.153 N/A LYS 167.A NZ ASP 489.A OD2 no hydrogen 2.678 N/A ASN 168.A N VAL 164.A O no hydrogen 2.952 N/A ASN 168.A ND2 PHE 444.A O no hydrogen 3.169 N/A GLU 169.A N VAL 165.A O no hydrogen 3.065 N/A MET 170.A N LEU 166.A O no hydrogen 3.034 N/A ALA 171.A N LYS 167.A O no hydrogen 2.982 N/A ARG 172.A N ASN 168.A O no hydrogen 2.902 N/A ALA 173.A N GLU 169.A O no hydrogen 3.347 N/A ASN 174.A N ALA 171.A O no hydrogen 2.835 N/A TYR 176.A N ALA 171.A O no hydrogen 3.194 N/A GLU 177.A N ASP 181.A OD2 no hydrogen 3.155 N/A TYR 179.A N ASN 168.A OD1 no hydrogen 2.851 N/A TYR 179.A OH ASP 489.A OD1 no hydrogen 2.967 N/A TYR 179.A OH ASP 489.A OD2 no hydrogen 3.064 N/A GLY 180.A N ASP 178.A OD2 no hydrogen 3.258 N/A TYR 182.A N ASP 178.A O no hydrogen 3.012 N/A TRP 183.A N TYR 179.A O no hydrogen 3.109 N/A ARG 184.A N GLY 180.A O no hydrogen 3.093 N/A ARG 184.A NE ARG 199.A O no hydrogen 2.736 N/A GLY 185.A N TYR 182.A O no hydrogen 3.077 N/A ASP 186.A N TRP 183.A O no hydrogen 3.336 N/A TYR 187.A N ARG 184.A O no hydrogen 3.334 N/A TYR 187.A OH GLU 378.A OE2 no hydrogen 2.893 N/A TYR 187.A OH THR 497.A OG1 no hydrogen 2.810 N/A GLU 188.A N GLY 185.A O no hydrogen 3.123 N/A VAL 189.A N TYR 197.A O no hydrogen 2.835 N/A GLY 191.A N ASP 196.A OD2 no hydrogen 2.944 N/A TYR 195.A N VAL 192.A O no hydrogen 3.368 N/A TYR 195.A OH GLU 551.A OE1 no hydrogen 2.673 N/A TYR 197.A N VAL 189.A O no hydrogen 3.120 N/A TYR 197.A OH ASP 205.A OD2 no hydrogen 2.642 N/A GLY 200.A N SER 198.A OG no hydrogen 3.279 N/A GLN 201.A N SER 198.A OG no hydrogen 2.795 N/A GLN 201.A NE2 ASP 205.A OD2 no hydrogen 2.920 N/A GLU 204.A N GLY 200.A O no hydrogen 3.288 N/A ASP 205.A N GLN 201.A O no hydrogen 2.881 N/A VAL 206.A N LEU 202.A O no hydrogen 2.772 N/A GLU 207.A N ILE 203.A O no hydrogen 3.171 N/A HIS 208.A N GLU 204.A O no hydrogen 2.911 N/A THR 209.A N ASP 205.A O no hydrogen 2.886 N/A THR 209.A OG1 ASP 205.A O no hydrogen 2.873 N/A THR 209.A OG1 VAL 206.A O no hydrogen 2.939 N/A THR 209.A OG1 TYR 496.A OH no hydrogen 2.656 N/A PHE 210.A N VAL 206.A O no hydrogen 2.930 N/A GLU 211.A N GLU 207.A O no hydrogen 3.120 N/A GLU 211.A N HIS 208.A O no hydrogen 3.184 N/A ILE 213.A N PHE 210.A O no hydrogen 3.053 N/A LYS 214.A N PHE 210.A O no hydrogen 3.171 N/A TYR 217.A N ILE 213.A O no hydrogen 2.885 N/A TYR 217.A OH VAL 465.A O no hydrogen 2.465 N/A GLU 218.A N LYS 214.A O no hydrogen 2.766 N/A HIS 219.A N PRO 215.A O no hydrogen 3.272 N/A LEU 220.A N LEU 216.A O no hydrogen 3.068 N/A HIS 221.A N TYR 217.A O no hydrogen 2.761 N/A HIS 221.A NE2 GLY 466.A O no hydrogen 2.986 N/A ALA 222.A N GLU 218.A O no hydrogen 2.938 N/A TYR 223.A N HIS 219.A O no hydrogen 2.926 N/A TYR 223.A OH THR 262.A O no hydrogen 2.971 N/A VAL 224.A N LEU 220.A O no hydrogen 2.908 N/A ARG 225.A N HIS 221.A O no hydrogen 2.821 N/A ARG 225.A NE GLY 240.A O no hydrogen 3.239 N/A ARG 225.A NH1 PHE 583.A O no hydrogen 2.900 N/A ARG 225.A NH2 GLY 585.A O no hydrogen 2.546 N/A ALA 226.A N ALA 222.A O no hydrogen 3.107 N/A LYS 227.A N TYR 223.A O no hydrogen 3.097 N/A LEU 228.A N VAL 224.A O no hydrogen 2.727 N/A MET 229.A N ARG 225.A O no hydrogen 2.896 N/A TYR 232.A N LEU 228.A O no hydrogen 2.846 N/A SER 234.A OG PRO 233.A O no hydrogen 2.486 N/A TYR 235.A N TYR 232.A O no hydrogen 3.340 N/A ILE 239.A N SER 237.A OG no hydrogen 3.230 N/A CYS 241.A SG ARG 462.A O no hydrogen 3.562 N/A CYS 241.A SG SER 587.A O no hydrogen 3.684 N/A LEU 242.A N GLY 466.A O no hydrogen 3.098 N/A ALA 244.A N VAL 468.A O no hydrogen 3.146 N/A LEU 246.A N PRO 243.A O no hydrogen 3.272 N/A TRP 251.A N ASP 249.A OD1 no hydrogen 2.893 N/A TRP 251.A NE1 SER 482.A O no hydrogen 2.629 N/A GLY 252.A N ASP 249.A OD1 no hydrogen 2.486 N/A ARG 253.A N ASP 249.A OD1 no hydrogen 3.163 N/A PHE 254.A N ASP 249.A OD2 no hydrogen 2.912 N/A TRP 255.A N LEU 424.A O no hydrogen 2.957 N/A THR 256.A OG1 THR 425.A OG1 no hydrogen 2.476 N/A ASN 257.A ND2 GLY 248.A O no hydrogen 2.527 N/A LEU 258.A N TRP 255.A O no hydrogen 3.183 N/A TYR 259.A N THR 256.A O no hydrogen 3.220 N/A TYR 259.A OH ASN 417.A O no hydrogen 3.361 N/A LEU 261.A N LEU 258.A O no hydrogen 3.032 N/A THR 262.A N TYR 259.A O no hydrogen 3.216 N/A THR 262.A OG1 LEU 258.A O no hydrogen 2.729 N/A PHE 265.A N ASN 417.A OD1 no hydrogen 2.934 N/A LYS 268.A NZ ASP 411.A OD2 no hydrogen 3.492 N/A THR 274.A OG1 ASP 272.A OD2 no hydrogen 2.456 N/A ALA 276.A N ASP 275.A OD1 no hydrogen 2.849 N/A MET 277.A N VAL 273.A O no hydrogen 2.467 N/A VAL 278.A N THR 274.A O no hydrogen 2.731 N/A VAL 278.A N ASP 275.A O no hydrogen 3.238 N/A GLN 280.A NE2 LEU 403.A O no hydrogen 3.538 N/A ARG 286.A N ASP 283.A OD1 no hydrogen 2.717 N/A ILE 287.A N ASP 283.A O no hydrogen 3.127 N/A PHE 288.A N ALA 284.A O no hydrogen 3.204 N/A LYS 289.A N GLN 285.A O no hydrogen 2.793 N/A LYS 289.A NZ GLU 292.A OE1 no hydrogen 3.491 N/A GLU 290.A N ARG 286.A O no hydrogen 2.905 N/A ALA 291.A N ILE 287.A O no hydrogen 3.091 N/A GLU 292.A N PHE 288.A O no hydrogen 2.760 N/A LYS 293.A N LYS 289.A O no hydrogen 2.964 N/A PHE 294.A N GLU 290.A O no hydrogen 3.077 N/A PHE 295.A N ALA 291.A O no hydrogen 3.403 N/A VAL 296.A N GLU 292.A O no hydrogen 2.866 N/A SER 297.A N LYS 293.A O no hydrogen 2.818 N/A SER 297.A OG LYS 293.A O no hydrogen 3.409 N/A SER 297.A OG PHE 294.A O no hydrogen 2.719 N/A VAL 298.A N PHE 294.A O no hydrogen 3.310 N/A GLY 299.A N VAL 296.A O no hydrogen 3.025 N/A LEU 300.A N PHE 295.A O no hydrogen 2.807 N/A PHE 307.A N THR 304.A O no hydrogen 3.034 N/A PHE 307.A N THR 304.A OG1 no hydrogen 3.322 N/A GLU 309.A N GLY 306.A O no hydrogen 3.273 N/A ASN 310.A N GLY 306.A O no hydrogen 2.675 N/A SER 311.A OG ILE 338.A O no hydrogen 2.253 N/A MET 312.A N ILE 338.A O no hydrogen 3.169 N/A SER 317.A OG ASP 318.A OD1 no hydrogen 3.150 N/A ASP 318.A N SER 317.A OG no hydrogen 2.306 N/A SER 319.A N SER 317.A OG no hydrogen 3.391 N/A VAL 323.A N ASN 31.A O no hydrogen 3.227 N/A THR 327.A N LYS 339.A O no hydrogen 2.798 N/A THR 327.A OG1 LYS 339.A O no hydrogen 3.211 N/A TRP 329.A N ARG 337.A O no hydrogen 2.703 N/A TRP 329.A NE1 THR 327.A OG1 no hydrogen 3.077 N/A LEU 331.A N ASP 335.A O no hydrogen 3.181 N/A ARG 333.A NH1 GLU 18.A OE1 no hydrogen 3.171 N/A ARG 333.A NH2 GLU 18.A OE1 no hydrogen 2.603 N/A ASP 335.A N GLY 332.A O no hydrogen 3.102 N/A ARG 337.A N TRP 329.A O no hydrogen 3.171 N/A ARG 337.A NH1 ASP 335.A OD1 no hydrogen 3.061 N/A ILE 338.A N SER 311.A OG no hydrogen 2.613 N/A LYS 339.A N THR 327.A O no hydrogen 2.905 N/A LYS 339.A NZ VAL 323.A O no hydrogen 3.073 N/A LYS 339.A NZ HIS 325.A O no hydrogen 2.970 N/A CYS 341.A SG VAL 323.A O no hydrogen 3.803 N/A THR 342.A OG1 ASP 348.A OD2 no hydrogen 3.443 N/A LYS 343.A NZ ASP 348.A OD2 no hydrogen 2.862 N/A LEU 350.A N MET 346.A O no hydrogen 3.385 N/A THR 351.A N ASP 347.A O no hydrogen 3.319 N/A THR 351.A OG1 ASP 347.A O no hydrogen 3.229 N/A ALA 352.A N ASP 348.A O no hydrogen 2.534 N/A HIS 353.A N PHE 349.A O no hydrogen 3.397 N/A HIS 353.A ND1 PHE 349.A O no hydrogen 2.893 N/A HIS 354.A N LEU 350.A O no hydrogen 3.039 N/A GLU 355.A N THR 351.A O no hydrogen 2.730 N/A MET 356.A N ALA 352.A O no hydrogen 2.987 N/A GLY 357.A N HIS 353.A O no hydrogen 2.957 N/A HIS 358.A N HIS 354.A O no hydrogen 3.251 N/A HIS 358.A ND1 HIS 381.A ND1 no hydrogen 3.010 N/A HIS 358.A NE2 HIS 354.A NE2 no hydrogen 3.015 N/A ILE 359.A N GLU 355.A O no hydrogen 3.205 N/A GLN 360.A N MET 356.A O no hydrogen 2.983 N/A GLN 360.A NE2 PRO 301.A O no hydrogen 3.062 N/A TYR 361.A N GLY 357.A O no hydrogen 3.109 N/A ASP 362.A N HIS 358.A O no hydrogen 2.955 N/A MET 363.A N ILE 359.A O no hydrogen 2.701 N/A ALA 364.A N GLN 360.A O no hydrogen 3.099 N/A ALA 364.A N TYR 361.A O no hydrogen 3.271 N/A TYR 365.A N TYR 361.A O no hydrogen 3.452 N/A TYR 365.A OH HIS 381.A NE2 no hydrogen 3.162 N/A ALA 366.A N MET 363.A O no hydrogen 3.390 N/A GLN 368.A N TYR 365.A O no hydrogen 3.230 N/A LEU 372.A N PRO 369.A O no hydrogen 3.001 N/A ARG 373.A N PHE 370.A O no hydrogen 3.313 N/A ARG 373.A NE ALA 366.A O no hydrogen 3.018 N/A ARG 373.A NH2 ALA 366.A O no hydrogen 3.161 N/A ALA 376.A N TYR 361.A OH no hydrogen 3.177 N/A ASN 377.A ND2 TYR 501.A OH no hydrogen 3.287 N/A GLU 378.A N ASP 186.A OD2 no hydrogen 2.845 N/A PHE 380.A N ASN 377.A O no hydrogen 3.297 N/A HIS 381.A ND1 HIS 358.A ND1 no hydrogen 3.010 N/A HIS 381.A NE2 TYR 365.A OH no hydrogen 3.162 N/A ALA 383.A N GLY 379.A O no hydrogen 3.256 N/A VAL 384.A N PHE 380.A O no hydrogen 3.083 N/A GLY 385.A N HIS 381.A O no hydrogen 3.078 N/A GLU 386.A N GLU 382.A O no hydrogen 2.998 N/A ILE 387.A N ALA 383.A O no hydrogen 3.393 N/A SER 389.A OG GLU 386.A O no hydrogen 3.071 N/A LEU 390.A N GLU 386.A O no hydrogen 2.915 N/A SER 391.A N ILE 387.A O no hydrogen 3.064 N/A SER 391.A N MET 388.A O no hydrogen 3.210 N/A SER 391.A OG ILE 387.A O no hydrogen 3.157 N/A ALA 392.A N MET 388.A O no hydrogen 2.944 N/A THR 394.A N SER 391.A O no hydrogen 3.433 N/A THR 394.A OG1 SER 391.A O no hydrogen 2.987 N/A LYS 396.A NZ LYS 521.A O no hydrogen 2.213 N/A HIS 397.A ND1 ASP 523.A OD2 no hydrogen 3.120 N/A HIS 397.A ND1 SER 525.A OG no hydrogen 3.099 N/A LEU 398.A N THR 394.A O no hydrogen 3.251 N/A LYS 399.A N PRO 395.A O no hydrogen 2.744 N/A LYS 399.A NZ PRO 406.A O no hydrogen 2.384 N/A SER 400.A N LYS 396.A O no hydrogen 3.075 N/A SER 400.A OG LYS 396.A O no hydrogen 3.299 N/A SER 400.A OG HIS 397.A O no hydrogen 2.924 N/A ILE 401.A N HIS 397.A O no hydrogen 2.959 N/A GLY 402.A N LYS 399.A O no hydrogen 3.141 N/A LEU 403.A N LEU 398.A O no hydrogen 3.147 N/A LEU 404.A N LEU 398.A O no hydrogen 2.947 N/A ASP 407.A N SER 405.A OG no hydrogen 3.273 N/A ASN 417.A N GLU 413.A O no hydrogen 3.098 N/A ASN 417.A ND2 PHE 265.A O no hydrogen 2.458 N/A PHE 418.A N THR 414.A O no hydrogen 3.360 N/A LEU 419.A N GLU 415.A O no hydrogen 3.097 N/A LEU 420.A N ILE 416.A O no hydrogen 2.736 N/A LYS 421.A N ASN 417.A O no hydrogen 3.165 N/A GLN 422.A N PHE 418.A O no hydrogen 2.963 N/A ALA 423.A N LEU 419.A O no hydrogen 2.741 N/A LEU 424.A N LEU 420.A O no hydrogen 3.033 N/A THR 425.A N GLN 422.A O no hydrogen 3.150 N/A THR 425.A OG1 THR 256.A OG1 no hydrogen 2.476 N/A THR 425.A OG1 LYS 421.A O no hydrogen 3.564 N/A ILE 426.A N GLN 422.A O no hydrogen 2.679 N/A VAL 427.A N ALA 423.A O no hydrogen 3.000 N/A GLY 428.A N ALA 423.A O no hydrogen 3.024 N/A THR 429.A OG1 ARG 253.A O no hydrogen 3.163 N/A THR 429.A OG1 THR 433.A OG1 no hydrogen 3.397 N/A LEU 430.A N VAL 427.A O no hydrogen 3.303 N/A THR 433.A N THR 429.A O no hydrogen 2.842 N/A THR 433.A OG1 THR 429.A O no hydrogen 2.864 N/A THR 433.A OG1 THR 429.A OG1 no hydrogen 3.397 N/A TYR 434.A N LEU 430.A O no hydrogen 3.026 N/A TYR 434.A OH GLU 207.A OE2 no hydrogen 3.357 N/A MET 435.A N PRO 431.A O no hydrogen 3.022 N/A LEU 436.A N PHE 432.A O no hydrogen 3.133 N/A GLU 437.A N THR 433.A O no hydrogen 3.122 N/A LYS 438.A N TYR 434.A O no hydrogen 2.747 N/A TRP 439.A N MET 435.A O no hydrogen 3.033 N/A TRP 439.A NE1 TRP 453.A O no hydrogen 3.288 N/A ARG 440.A N LEU 436.A O no hydrogen 3.087 N/A ARG 440.A NE GLU 437.A OE1 no hydrogen 3.088 N/A ARG 440.A NH1 HIS 485.A O no hydrogen 3.449 N/A ARG 440.A NH1 TYR 490.A O no hydrogen 3.098 N/A ARG 440.A NH2 GLU 437.A OE1 no hydrogen 2.911 N/A ARG 440.A NH2 TYR 490.A O no hydrogen 2.721 N/A TRP 441.A N GLU 437.A O no hydrogen 2.708 N/A MET 442.A N LYS 438.A O no hydrogen 3.228 N/A VAL 443.A N TRP 439.A O no hydrogen 3.016 N/A PHE 444.A N ARG 440.A O no hydrogen 3.011 N/A LYS 445.A N TRP 441.A O no hydrogen 2.974 N/A LYS 445.A NZ GLU 447.A OE2 no hydrogen 2.592 N/A GLY 446.A N VAL 443.A O no hydrogen 3.061 N/A GLU 447.A N MET 442.A O no hydrogen 2.781 N/A GLN 452.A N PRO 449.A O no hydrogen 2.918 N/A MET 454.A N GLU 475.A OE1 no hydrogen 3.195 N/A LYS 456.A N GLN 452.A O no hydrogen 2.906 N/A TRP 457.A N TRP 453.A O no hydrogen 2.814 N/A TRP 458.A N MET 454.A O no hydrogen 3.146 N/A TRP 458.A NE1 ASP 479.A OD2 no hydrogen 3.011 N/A GLU 459.A N LYS 455.A O no hydrogen 3.079 N/A MET 460.A N LYS 456.A O no hydrogen 3.145 N/A LYS 461.A N TRP 457.A O no hydrogen 3.058 N/A ARG 462.A N TRP 458.A O no hydrogen 3.156 N/A ARG 462.A NE THR 588.A O no hydrogen 2.841 N/A ARG 462.A NH2 ASP 589.A O no hydrogen 3.485 N/A ILE 464.A N MET 460.A O no hydrogen 2.789 N/A VAL 467.A N LYS 461.A O no hydrogen 2.878 N/A VAL 468.A N LEU 242.A O no hydrogen 3.036 N/A GLU 469.A N GLU 469.A OE1 no hydrogen 2.586 N/A HIS 473.A ND1 ASP 479.A OD2 no hydrogen 2.508 N/A HIS 473.A NE2 GLU 146.A OE1 no hydrogen 2.472 N/A THR 476.A OG1 ASP 474.A OD1 no hydrogen 2.581 N/A THR 476.A OG1 ASP 474.A OD2 no hydrogen 3.507 N/A TYR 477.A N ASP 474.A O no hydrogen 3.294 N/A TYR 477.A OH GLU 146.A OE2 no hydrogen 2.343 N/A SER 482.A N ASP 479.A O no hydrogen 2.943 N/A SER 482.A OG ASP 479.A O no hydrogen 2.341 N/A LEU 483.A N PRO 480.A O no hydrogen 3.063 N/A SER 487.A N LEU 483.A O no hydrogen 3.217 N/A SER 487.A OG ALA 481.A O no hydrogen 3.269 N/A SER 487.A OG LEU 483.A O no hydrogen 3.147 N/A ASN 488.A N PHE 484.A O no hydrogen 2.896 N/A ASN 488.A ND2 PHE 484.A O no hydrogen 2.937 N/A TYR 490.A N HIS 485.A O no hydrogen 2.994 N/A SER 491.A OG GLU 378.A OE1 no hydrogen 3.334 N/A PHE 492.A N GLU 437.A OE2 no hydrogen 3.069 N/A ILE 493.A N GLU 437.A OE2 no hydrogen 3.080 N/A TYR 495.A N PHE 492.A O no hydrogen 3.323 N/A TYR 495.A OH HIS 485.A NE2 no hydrogen 2.822 N/A TYR 496.A N ILE 493.A O no hydrogen 3.098 N/A TYR 496.A OH THR 209.A OG1 no hydrogen 2.656 N/A THR 497.A N ILE 493.A O no hydrogen 3.106 N/A THR 497.A OG1 TYR 187.A OH no hydrogen 2.810 N/A THR 497.A OG1 ILE 493.A O no hydrogen 3.416 N/A THR 497.A OG1 ARG 494.A O no hydrogen 3.091 N/A ARG 498.A N ARG 494.A O no hydrogen 2.998 N/A THR 499.A OG1 TYR 495.A O no hydrogen 2.497 N/A LEU 500.A N TYR 496.A O no hydrogen 3.372 N/A TYR 501.A N THR 497.A O no hydrogen 2.917 N/A GLN 502.A N ARG 498.A O no hydrogen 2.780 N/A GLN 504.A N LEU 500.A O no hydrogen 3.193 N/A PHE 505.A N TYR 501.A O no hydrogen 2.823 N/A GLN 506.A N GLN 502.A O no hydrogen 3.033 N/A GLN 506.A NE2 SER 391.A OG no hydrogen 3.285 N/A GLU 507.A N PHE 503.A O no hydrogen 2.905 N/A ALA 508.A N GLN 504.A O no hydrogen 2.981 N/A LEU 509.A N PHE 505.A O no hydrogen 2.752 N/A CYS 510.A N GLN 506.A O no hydrogen 2.835 N/A CYS 510.A SG GLN 506.A O no hydrogen 3.007 N/A GLN 511.A N GLU 507.A O no hydrogen 2.950 N/A ALA 512.A N ALA 508.A O no hydrogen 2.891 N/A ALA 513.A N LEU 509.A O no hydrogen 2.852 N/A LYS 514.A N GLN 511.A O no hydrogen 2.996 N/A HIS 515.A N CYS 510.A O no hydrogen 2.734 N/A HIS 515.A NE2 PRO 518.A O no hydrogen 2.497 N/A HIS 520.A NE2 GLU 415.A OE2 no hydrogen 2.496 N/A LYS 521.A N PRO 518.A O no hydrogen 3.281 N/A CYS 522.A N LEU 519.A O no hydrogen 3.159 N/A SER 525.A N ASP 523.A OD1 no hydrogen 3.270 N/A SER 525.A OG HIS 397.A ND1 no hydrogen 3.099 N/A SER 525.A OG ASP 523.A OD1 no hydrogen 2.725 N/A SER 525.A OG ASP 523.A OD2 no hydrogen 3.041 N/A ASN 526.A N SER 297.A OG no hydrogen 3.160 N/A THR 528.A OG1 GLU 529.A OE1 no hydrogen 3.294 N/A GLU 529.A N GLU 529.A OE1 no hydrogen 2.582 N/A ALA 530.A N SER 527.A OG no hydrogen 3.220 N/A GLY 531.A N SER 527.A O no hydrogen 3.184 N/A GLN 532.A N THR 528.A O no hydrogen 3.077 N/A LYS 533.A N GLU 529.A O no hydrogen 3.360 N/A LYS 533.A NZ VAL 553.A O no hydrogen 3.469 N/A LEU 534.A N ALA 530.A O no hydrogen 3.058 N/A PHE 535.A N GLY 531.A O no hydrogen 2.643 N/A ASN 536.A N GLN 532.A O no hydrogen 3.124 N/A MET 537.A N LEU 534.A O no hydrogen 2.964 N/A LEU 538.A N LEU 534.A O no hydrogen 3.103 N/A ARG 539.A N PHE 535.A O no hydrogen 3.050 N/A LEU 540.A N MET 537.A O no hydrogen 3.394 N/A LYS 542.A N LEU 372.A O no hydrogen 3.138 N/A SER 543.A N LEU 540.A O no hydrogen 3.236 N/A SER 543.A OG LEU 540.A O no hydrogen 2.445 N/A GLU 544.A N SER 543.A OG no hydrogen 2.671 N/A TRP 546.A NE1 TYR 187.A O no hydrogen 2.850 N/A THR 547.A OG1 TYR 195.A O no hydrogen 3.071 N/A ALA 549.A N PRO 545.A O no hydrogen 3.053 N/A LEU 550.A N TRP 546.A O no hydrogen 2.948 N/A GLU 551.A N THR 547.A O no hydrogen 3.016 N/A ASN 552.A N LEU 548.A O no hydrogen 2.903 N/A VAL 553.A N LEU 550.A O no hydrogen 3.373 N/A VAL 554.A N LEU 550.A O no hydrogen 2.985 N/A LYS 557.A NZ GLY 194.A O no hydrogen 3.038 N/A ASN 558.A ND2 ASP 205.A OD2 no hydrogen 2.383 N/A MET 559.A N ASN 558.A OD1 no hydrogen 2.560 N/A ASN 560.A N GLN 504.A OE1 no hydrogen 2.892 N/A ARG 562.A N ASN 560.A OD1 no hydrogen 3.147 N/A ARG 562.A NH1 GLU 212.A OE1 no hydrogen 2.580 N/A LEU 565.A N VAL 561.A O no hydrogen 2.960 N/A ASN 566.A N ARG 562.A O no hydrogen 2.841 N/A TYR 567.A N PRO 563.A O no hydrogen 3.185 N/A GLU 569.A N ASN 566.A O no hydrogen 3.371 N/A PHE 572.A N PHE 568.A O no hydrogen 2.718 N/A THR 573.A N GLU 569.A O no hydrogen 3.151 N/A THR 573.A OG1 PRO 570.A O no hydrogen 3.323 N/A LEU 575.A N LEU 571.A O no hydrogen 2.809 N/A LYS 576.A N PHE 572.A O no hydrogen 3.052 N/A ASP 577.A N THR 573.A O no hydrogen 3.353 N/A GLN 578.A N TRP 574.A O no hydrogen 3.085 N/A ASN 579.A N LEU 575.A O no hydrogen 3.084 N/A ASN 579.A ND2 HIS 219.A ND1 no hydrogen 3.199 N/A ASN 579.A ND2 HIS 219.A O no hydrogen 2.949 N/A LYS 580.A N ASP 577.A O no hydrogen 3.371 N/A SER 582.A N ASN 579.A O no hydrogen 2.997 N/A SER 587.A N ILE 239.A O no hydrogen 2.822 N/A ASP 589.A N SER 587.A OG no hydrogen 3.356 N/A SER 591.A OG TYR 593.A O no hydrogen 3.101 N/A TYR 593.A OH GLU 469.A OE2 no hydrogen 2.595 N/A