Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qht_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LYS 21.A O no hydrogen 3.276 N/A LEU 3.A N PHE 19.A O no hydrogen 2.819 N/A ASP 4.A N PHE 19.A O no hydrogen 3.391 N/A THR 5.A N ASP 4.A OD1 no hydrogen 2.778 N/A THR 5.A OG1 ALA 117.A O no hydrogen 2.898 N/A ASP 6.A N ARG 17.A O no hydrogen 3.052 N/A ILE 8.A N VAL 15.A O no hydrogen 2.770 N/A THR 9.A OG1 HIS 89.A NE2 no hydrogen 2.940 N/A GLU 10.A N LYS 13.A O no hydrogen 2.827 N/A LYS 13.A N GLU 10.A O no hydrogen 3.398 N/A VAL 15.A N ILE 8.A O no hydrogen 2.712 N/A ILE 16.A N ASP 31.A O no hydrogen 2.943 N/A ARG 17.A N ASP 6.A O no hydrogen 2.716 N/A VAL 18.A N GLU 29.A O no hydrogen 2.822 N/A PHE 19.A N ASP 4.A O no hydrogen 2.874 N/A LYS 20.A N LYS 27.A O no hydrogen 2.995 N/A LYS 20.A NZ GLU 29.A OE1 no hydrogen 3.164 N/A LYS 21.A N MET 1.A O no hydrogen 2.963 N/A LYS 21.A NZ ASP 204.A OD1 no hydrogen 2.797 N/A LYS 21.A NZ ASP 204.A OD2 no hydrogen 2.444 N/A GLU 22.A N GLU 25.A O no hydrogen 3.135 N/A GLY 24.A N GLU 133.A OE1 no hydrogen 3.457 N/A GLY 24.A N GLU 133.A OE2 no hydrogen 3.021 N/A GLU 25.A N GLU 22.A O no hydrogen 3.046 N/A LYS 27.A N LYS 20.A O no hydrogen 2.869 N/A LYS 27.A NZ GLU 22.A O no hydrogen 3.349 N/A GLU 29.A N VAL 18.A O no hydrogen 2.949 N/A ASP 31.A N ILE 16.A O no hydrogen 2.924 N/A ARG 32.A NE GLU 10.A OE2 no hydrogen 3.330 N/A ARG 32.A NH2 GLU 10.A OE2 no hydrogen 3.172 N/A THR 33.A N ASP 31.A OD1 no hydrogen 2.921 N/A THR 33.A OG1 ASP 31.A OD1 no hydrogen 2.443 N/A TYR 37.A OH ASP 123.A OD2 no hydrogen 2.313 N/A PHE 38.A N LEU 85.A O no hydrogen 3.195 N/A TYR 39.A N TYR 110.A O no hydrogen 2.722 N/A ALA 40.A N TRP 83.A O no hydrogen 2.817 N/A LEU 41.A N ASP 108.A O no hydrogen 2.861 N/A LYS 43.A N ALA 105.A O no hydrogen 2.993 N/A LYS 43.A NZ PRO 104.A O no hydrogen 3.441 N/A SER 46.A N ASP 44.A OD1 no hydrogen 3.016 N/A SER 46.A OG ASP 44.A OD2 no hydrogen 2.683 N/A ALA 47.A N ASP 44.A O no hydrogen 3.174 N/A VAL 51.A N ALA 47.A O no hydrogen 2.975 N/A LYS 52.A N ILE 48.A O no hydrogen 3.119 N/A LYS 52.A NZ GLU 49.A OE2 no hydrogen 3.134 N/A LYS 53.A N ASP 50.A O no hydrogen 2.890 N/A VAL 54.A N VAL 51.A O no hydrogen 3.267 N/A ALA 56.A N VAL 63.A O no hydrogen 2.848 N/A ARG 58.A N THR 61.A O no hydrogen 2.540 N/A THR 61.A N ARG 58.A O no hydrogen 3.022 N/A THR 61.A OG1 ARG 58.A O no hydrogen 3.491 N/A VAL 63.A N ALA 56.A O no hydrogen 2.587 N/A LYS 66.A N TYR 86.A O no hydrogen 2.941 N/A LYS 66.A NZ GLU 35.A OE1 no hydrogen 3.120 N/A LYS 66.A NZ PHE 87.A O no hydrogen 3.416 N/A ARG 67.A N TYR 86.A O no hydrogen 3.422 N/A ARG 67.A NH1 GLU 35.A OE1 no hydrogen 2.816 N/A ARG 67.A NH2 GLU 35.A OE2 no hydrogen 3.162 N/A GLU 69.A N LYS 84.A O no hydrogen 3.100 N/A VAL 71.A N VAL 82.A O no hydrogen 2.947 N/A LYS 73.A N ILE 80.A O no hydrogen 2.885 N/A LYS 73.A NZ ASN 365.A OD1 no hydrogen 2.921 N/A LYS 74.A N ASN 365.A O no hydrogen 3.065 N/A LYS 74.A NZ ARG 364.A O no hydrogen 3.249 N/A PHE 75.A N ARG 78.A O no hydrogen 2.864 N/A LEU 76.A N GLU 366.A OE1 no hydrogen 3.289 N/A ARG 78.A N PHE 75.A O no hydrogen 3.465 N/A ILE 80.A N LYS 73.A O no hydrogen 2.631 N/A VAL 82.A N VAL 71.A O no hydrogen 3.170 N/A TRP 83.A N ALA 40.A O no hydrogen 2.785 N/A LYS 84.A N GLU 69.A O no hydrogen 2.768 N/A LYS 84.A NZ TYR 86.A OH no hydrogen 2.887 N/A LEU 85.A N PHE 38.A O no hydrogen 2.924 N/A TYR 86.A N ARG 67.A O no hydrogen 2.585 N/A PHE 87.A N PRO 36.A O no hydrogen 3.127 N/A ASN 88.A N ASP 92.A OD2 no hydrogen 3.235 N/A HIS 89.A N ASP 92.A OD2 no hydrogen 2.671 N/A HIS 89.A NE2 THR 9.A OG1 no hydrogen 2.940 N/A GLN 91.A N HIS 89.A ND1 no hydrogen 3.053 N/A GLN 91.A NE2 TYR 7.A OH no hydrogen 2.848 N/A ASP 92.A N HIS 89.A O no hydrogen 2.538 N/A ALA 95.A N ASP 92.A O no hydrogen 2.896 N/A ILE 96.A N ASP 92.A O no hydrogen 3.063 N/A ARG 97.A N VAL 93.A O no hydrogen 2.791 N/A ARG 97.A NE TYR 112.A O no hydrogen 3.266 N/A ARG 97.A NH2 TYR 112.A O no hydrogen 3.319 N/A ARG 99.A N ILE 96.A O no hydrogen 2.866 N/A ARG 99.A NE THR 55.A O no hydrogen 2.382 N/A ILE 100.A N ILE 96.A O no hydrogen 3.089 N/A ILE 100.A N ARG 97.A O no hydrogen 3.179 N/A ARG 101.A N ARG 97.A O no hydrogen 3.375 N/A ARG 101.A NH2 ASP 108.A OD1 no hydrogen 2.773 N/A ARG 101.A NH2 TYR 112.A OH no hydrogen 3.482 N/A ALA 102.A N ASP 98.A O no hydrogen 2.998 N/A HIS 103.A N ILE 100.A O no hydrogen 3.071 N/A HIS 103.A NE2 ASP 50.A OD1 no hydrogen 2.734 N/A ALA 105.A N HIS 103.A ND1 no hydrogen 2.653 N/A VAL 106.A N HIS 103.A O no hydrogen 2.852 N/A VAL 107.A N LEU 41.A O no hydrogen 2.832 N/A ILE 109.A N ASP 108.A OD1 no hydrogen 2.555 N/A TYR 110.A N TYR 39.A O no hydrogen 2.714 N/A LYS 118.A N PRO 115.A O no hydrogen 2.757 N/A ARG 119.A N PRO 115.A O no hydrogen 2.716 N/A ARG 119.A NE ASP 123.A OD1 no hydrogen 2.704 N/A ARG 119.A NH1 GLU 111.A OE1 no hydrogen 3.035 N/A ARG 119.A NH2 ASP 123.A OD1 no hydrogen 2.887 N/A TYR 120.A N PHE 116.A O no hydrogen 2.917 N/A TYR 120.A OH ASP 31.A OD2 no hydrogen 2.267 N/A ILE 122.A N LYS 118.A O no hydrogen 3.012 N/A ASP 123.A N ARG 119.A O no hydrogen 2.860 N/A GLY 125.A N ILE 122.A O no hydrogen 2.768 N/A LEU 126.A N LEU 121.A O no hydrogen 2.851 N/A MET 129.A N ILE 2.A O no hydrogen 2.778 N/A THR 136.A N ASP 204.A OD2 no hydrogen 2.777 N/A THR 136.A OG1 ASP 204.A OD2 no hydrogen 3.198 N/A LEU 138.A N VAL 205.A O no hydrogen 2.918 N/A ALA 139.A N ALA 163.A O no hydrogen 2.843 N/A PHE 140.A N ILE 207.A O no hydrogen 2.986 N/A ALA 141.A N SER 161.A O no hydrogen 2.870 N/A ALA 143.A N MET 159.A O no hydrogen 2.830 N/A LEU 145.A N PRO 156.A O no hydrogen 2.769 N/A GLU 150.A N HIS 147.A O no hydrogen 2.980 N/A THR 154.A N GLU 151.A O no hydrogen 3.338 N/A THR 154.A OG1 GLU 151.A O no hydrogen 2.769 N/A GLY 155.A N GLU 150.A OE1 no hydrogen 2.799 N/A ILE 157.A N GLU 187.A OE2 no hydrogen 2.593 N/A LEU 158.A N ALA 143.A O no hydrogen 2.629 N/A MET 159.A N ALA 143.A O no hydrogen 3.146 N/A ILE 160.A N ILE 171.A O no hydrogen 2.883 N/A SER 161.A N ALA 141.A O no hydrogen 2.996 N/A SER 161.A OG SER 312.A O no hydrogen 2.471 N/A SER 161.A OG SER 312.A OG no hydrogen 3.017 N/A TYR 162.A N ARG 169.A O no hydrogen 3.164 N/A ALA 163.A N ALA 139.A O no hydrogen 2.888 N/A ASP 164.A N GLU 167.A O no hydrogen 3.034 N/A SER 166.A N ASP 164.A OD1 no hydrogen 2.888 N/A SER 166.A OG ASP 164.A OD1 no hydrogen 2.634 N/A SER 166.A OG ASP 164.A OD2 no hydrogen 3.228 N/A GLU 167.A N ASP 164.A OD1 no hydrogen 2.971 N/A ARG 169.A N TYR 162.A O no hydrogen 3.138 N/A ARG 169.A NH1 PRO 179.A O no hydrogen 2.756 N/A ARG 169.A NH2 PRO 179.A O no hydrogen 3.215 N/A ARG 169.A NH2 ASP 182.A OD1 no hydrogen 2.533 N/A VAL 170.A N TYR 180.A O no hydrogen 3.085 N/A ILE 171.A N ILE 160.A O no hydrogen 2.809 N/A THR 172.A N ASP 182.A O no hydrogen 2.795 N/A THR 172.A OG1 LEU 158.A O no hydrogen 2.800 N/A TRP 173.A NE1 ILE 157.A O no hydrogen 2.724 N/A LYS 174.A NZ TRP 299.A O no hydrogen 3.228 N/A VAL 184.A N THR 172.A O no hydrogen 2.729 N/A GLU 189.A N THR 186.A OG1 no hydrogen 3.284 N/A MET 190.A N THR 186.A O no hydrogen 2.993 N/A ILE 191.A N GLU 187.A O no hydrogen 2.932 N/A LYS 192.A N LYS 188.A O no hydrogen 2.974 N/A LYS 192.A NZ GLU 189.A OE2 no hydrogen 2.894 N/A ARG 193.A N GLU 189.A O no hydrogen 2.880 N/A PHE 194.A N MET 190.A O no hydrogen 2.959 N/A LEU 195.A N ILE 191.A O no hydrogen 3.010 N/A ARG 196.A N LYS 192.A O no hydrogen 3.068 N/A VAL 197.A N ARG 193.A O no hydrogen 2.731 N/A VAL 198.A N PHE 194.A O no hydrogen 2.724 N/A ARG 199.A N LEU 195.A O no hydrogen 2.946 N/A GLU 200.A N ARG 196.A O no hydrogen 3.067 N/A GLU 200.A N VAL 197.A O no hydrogen 3.271 N/A LYS 201.A N VAL 197.A O no hydrogen 3.033 N/A LYS 201.A NZ ASP 164.A OD2 no hydrogen 2.776 N/A LYS 201.A NZ GLU 167.A OE2 no hydrogen 3.406 N/A ASP 202.A N VAL 198.A O no hydrogen 2.661 N/A ASP 204.A N THR 136.A O no hydrogen 2.859 N/A ASP 204.A N THR 136.A OG1 no hydrogen 2.995 N/A VAL 205.A N THR 136.A O no hydrogen 2.921 N/A LEU 206.A N ILE 256.A O no hydrogen 2.918 N/A ILE 207.A N LEU 138.A O no hydrogen 2.855 N/A THR 208.A N PHE 258.A O no hydrogen 3.136 N/A THR 208.A OG1 HIS 257.A NE2 no hydrogen 2.967 N/A TYR 209.A OH TYR 273.A O no hydrogen 2.311 N/A ASN 210.A N ASP 259.A OD1 no hydrogen 2.679 N/A GLY 211.A N THR 208.A OG1 no hydrogen 2.904 N/A ASP 212.A N ASP 259.A OD2 no hydrogen 3.161 N/A ASN 213.A N ASN 210.A O no hydrogen 2.928 N/A PHE 214.A N ASN 210.A O no hydrogen 2.992 N/A ASP 215.A N ASP 215.A OD1 no hydrogen 2.502 N/A PHE 216.A N GLY 211.A O no hydrogen 3.253 N/A TYR 218.A N PHE 214.A O no hydrogen 2.932 N/A TYR 218.A OH GLY 155.A O no hydrogen 2.875 N/A LEU 219.A N ASP 215.A O no hydrogen 3.077 N/A LYS 220.A N PHE 216.A O no hydrogen 2.902 N/A LYS 221.A N ALA 217.A O no hydrogen 3.132 N/A ARG 222.A N TYR 218.A O no hydrogen 3.072 N/A ARG 222.A NE GLU 187.A OE1 no hydrogen 3.478 N/A ARG 222.A NE GLU 187.A OE2 no hydrogen 2.852 N/A ARG 222.A NH1 GLY 153.A O no hydrogen 3.099 N/A ARG 222.A NH2 GLU 187.A OE1 no hydrogen 3.039 N/A CYS 223.A N LEU 219.A O no hydrogen 2.796 N/A GLU 224.A N LYS 220.A O no hydrogen 2.831 N/A GLU 225.A N LYS 221.A O no hydrogen 2.934 N/A LEU 226.A N ARG 222.A O no hydrogen 2.762 N/A ILE 228.A N CYS 223.A O no hydrogen 2.720 N/A PHE 230.A N GLU 238.A OE2 no hydrogen 2.762 N/A THR 231.A N LYS 229.A O no hydrogen 2.764 N/A LEU 232.A N PHE 230.A O no hydrogen 3.108 N/A GLY 233.A N SER 237.A O no hydrogen 2.828 N/A ARG 234.A N LYS 253.A O no hydrogen 2.757 N/A ARG 234.A NE ASP 202.A OD1 no hydrogen 2.731 N/A ARG 234.A NH1 ASP 204.A OD1 no hydrogen 3.137 N/A ARG 234.A NH1 GLY 254.A O no hydrogen 2.810 N/A ARG 234.A NH2 ASP 202.A OD1 no hydrogen 3.341 N/A ARG 234.A NH2 ASP 202.A OD2 no hydrogen 3.484 N/A ARG 234.A NH2 ASP 204.A OD1 no hydrogen 2.981 N/A GLY 236.A N GLY 233.A O no hydrogen 2.994 N/A SER 237.A N ASP 235.A OD1 no hydrogen 3.090 N/A SER 237.A OG ASP 235.A OD1 no hydrogen 2.366 N/A LYS 240.A N GLU 251.A O no hydrogen 2.717 N/A GLN 242.A N ALA 249.A O no hydrogen 2.646 N/A MET 244.A N ARG 247.A O no hydrogen 2.735 N/A ARG 247.A N MET 244.A O no hydrogen 3.095 N/A ARG 247.A N ASP 246.A OD1 no hydrogen 2.545 N/A PHE 248.A N ASN 213.A OD1 no hydrogen 3.302 N/A ALA 249.A N GLN 242.A O no hydrogen 2.496 N/A VAL 250.A N ASP 212.A OD1 no hydrogen 2.992 N/A GLU 251.A N LYS 240.A O no hydrogen 2.780 N/A ARG 255.A N VAL 252.A O no hydrogen 2.968 N/A ARG 255.A NE PRO 203.A O no hydrogen 3.008 N/A ARG 255.A NH1 LEU 232.A O no hydrogen 2.458 N/A ARG 255.A NH2 PRO 203.A O no hydrogen 3.383 N/A ILE 256.A N ASP 204.A O no hydrogen 2.630 N/A HIS 257.A ND1 VAL 250.A O no hydrogen 2.744 N/A HIS 257.A NE2 THR 208.A OG1 no hydrogen 2.967 N/A PHE 258.A N LEU 206.A O no hydrogen 2.785 N/A LEU 260.A N THR 208.A O no hydrogen 2.903 N/A TYR 261.A N ASP 259.A OD1 no hydrogen 2.895 N/A ILE 264.A N LEU 260.A O no hydrogen 3.062 N/A ARG 265.A N TYR 261.A O no hydrogen 2.906 N/A ARG 266.A N PRO 262.A O no hydrogen 3.357 N/A ARG 266.A N VAL 263.A O no hydrogen 2.509 N/A ARG 266.A NH2 ARG 346.A O no hydrogen 3.060 N/A THR 267.A N VAL 263.A O no hydrogen 3.090 N/A ILE 268.A N ILE 264.A O no hydrogen 3.032 N/A LEU 270.A N TYR 273.A OH no hydrogen 2.877 N/A TYR 273.A OH ILE 268.A O no hydrogen 3.097 N/A ALA 277.A N THR 274.A OG1 no hydrogen 3.104 N/A VAL 278.A N THR 274.A O no hydrogen 2.885 N/A TYR 279.A N LEU 275.A O no hydrogen 2.947 N/A TYR 279.A OH GLU 321.A OE1 no hydrogen 3.026 N/A GLU 280.A N GLU 276.A O no hydrogen 3.115 N/A ALA 281.A N ALA 277.A O no hydrogen 2.696 N/A PHE 283.A N TYR 279.A O no hydrogen 2.757 N/A GLY 284.A N GLU 280.A O no hydrogen 2.600 N/A LYS 287.A NZ GLU 276.A OE2 no hydrogen 2.866 N/A LYS 287.A NZ ASP 315.A OD1 no hydrogen 2.631 N/A LYS 289.A NZ VAL 290.A O no hydrogen 3.077 N/A TYR 291.A N GLU 294.A OE2 no hydrogen 2.679 N/A ILE 295.A N TYR 291.A O no hydrogen 3.046 N/A ALA 296.A N ALA 292.A O no hydrogen 2.824 N/A GLN 297.A N GLU 293.A O no hydrogen 2.948 N/A ALA 298.A N GLU 294.A O no hydrogen 2.825 N/A TRP 299.A N ILE 295.A O no hydrogen 2.944 N/A GLU 300.A N ALA 296.A O no hydrogen 2.735 N/A SER 301.A OG GLN 297.A O no hydrogen 2.810 N/A GLU 303.A N SER 301.A OG no hydrogen 2.959 N/A ALA 309.A N LEU 305.A O no hydrogen 2.896 N/A ARG 310.A N GLU 306.A O no hydrogen 3.128 N/A ARG 310.A NH1 GLU 288.A OE1 no hydrogen 3.286 N/A ARG 310.A NH2 GLU 288.A OE1 no hydrogen 3.205 N/A TYR 311.A N ARG 307.A O no hydrogen 2.936 N/A SER 312.A N VAL 308.A O no hydrogen 2.834 N/A MET 313.A N ALA 309.A O no hydrogen 2.996 N/A GLU 314.A N ARG 310.A O no hydrogen 2.757 N/A ASP 315.A N TYR 311.A O no hydrogen 2.842 N/A ALA 316.A N SER 312.A O no hydrogen 3.386 N/A LYS 317.A N MET 313.A O no hydrogen 3.034 N/A VAL 318.A N GLU 314.A O no hydrogen 2.621 N/A THR 319.A N ASP 315.A O no hydrogen 3.011 N/A THR 319.A OG1 ASP 315.A O no hydrogen 2.669 N/A TYR 320.A N ALA 316.A O no hydrogen 3.040 N/A GLU 321.A N LYS 317.A O no hydrogen 3.166 N/A LEU 322.A N VAL 318.A O no hydrogen 3.268 N/A GLY 323.A N THR 319.A O no hydrogen 2.992 N/A ARG 324.A N TYR 320.A O no hydrogen 2.967 N/A GLU 325.A N GLU 321.A O no hydrogen 3.052 N/A GLU 325.A N LEU 322.A O no hydrogen 3.117 N/A PHE 326.A N LEU 322.A O no hydrogen 2.878 N/A GLU 330.A N PHE 326.A O no hydrogen 3.507 N/A ALA 331.A N PHE 327.A O no hydrogen 2.992 N/A GLN 332.A N PRO 328.A O no hydrogen 3.425 N/A GLN 332.A N MET 329.A O no hydrogen 2.905 N/A LEU 333.A N MET 329.A O no hydrogen 3.111 N/A SER 334.A N GLU 330.A O no hydrogen 3.010 N/A SER 334.A OG GLN 339.A O no hydrogen 2.708 N/A ARG 335.A N ALA 331.A O no hydrogen 3.135 N/A LEU 336.A N GLN 332.A O no hydrogen 2.927 N/A ILE 337.A N LEU 333.A O no hydrogen 2.794 N/A GLY 338.A N SER 334.A O no hydrogen 2.758 N/A GLN 339.A N SER 334.A O no hydrogen 3.110 N/A SER 340.A OG ASP 343.A OD2 no hydrogen 2.788 N/A TRP 342.A NE1 VAL 250.A O no hydrogen 2.968 N/A ASP 343.A N SER 340.A OG no hydrogen 2.870 N/A VAL 344.A N SER 340.A O no hydrogen 2.802 N/A SER 345.A N LEU 341.A O no hydrogen 2.912 N/A SER 345.A OG LEU 341.A O no hydrogen 2.858 N/A SER 345.A OG TRP 342.A O no hydrogen 3.354 N/A ARG 346.A N ASP 343.A O no hydrogen 2.865 N/A ARG 346.A NE ASP 212.A OD2 no hydrogen 2.739 N/A ARG 346.A NH1 HIS 257.A O no hydrogen 3.011 N/A ARG 346.A NH1 TRP 342.A O no hydrogen 3.082 N/A ARG 346.A NH2 ASP 212.A OD1 no hydrogen 2.922 N/A ARG 346.A NH2 ASP 212.A OD2 no hydrogen 3.119 N/A ARG 346.A NH2 HIS 257.A O no hydrogen 3.105 N/A SER 347.A N VAL 344.A O no hydrogen 3.046 N/A SER 347.A OG SER 348.A O no hydrogen 3.023 N/A SER 348.A OG ASN 351.A OD1 no hydrogen 3.443 N/A ASN 351.A N SER 348.A O no hydrogen 2.926 N/A ASN 351.A N SER 348.A OG no hydrogen 3.252 N/A LEU 352.A N SER 348.A O no hydrogen 2.965 N/A VAL 353.A N THR 349.A O no hydrogen 3.150 N/A GLU 354.A N GLY 350.A O no hydrogen 3.241 N/A TRP 355.A N ASN 351.A O no hydrogen 3.023 N/A PHE 356.A N LEU 352.A O no hydrogen 3.091 N/A LEU 357.A N VAL 353.A O no hydrogen 2.747 N/A LEU 358.A N GLU 354.A O no hydrogen 2.999 N/A ARG 359.A N TRP 355.A O no hydrogen 3.158 N/A ARG 359.A NH1 LEU 121.A O no hydrogen 3.392 N/A ARG 359.A NH2 LEU 126.A O no hydrogen 2.982 N/A ARG 359.A NH2 GLY 338.A O no hydrogen 2.904 N/A LYS 360.A N PHE 356.A O no hydrogen 2.974 N/A ALA 361.A N LEU 357.A O no hydrogen 2.589 N/A TYR 362.A N LEU 358.A O no hydrogen 3.072 N/A LYS 363.A N ARG 359.A O no hydrogen 3.182 N/A ARG 364.A N LYS 360.A O no hydrogen 2.964 N/A ARG 364.A NH2 SER 451.A OG no hydrogen 2.781 N/A ASN 365.A N TYR 362.A O no hydrogen 3.312 N/A ASN 365.A ND2 GLN 72.A O no hydrogen 2.635 N/A GLU 366.A N ALA 361.A O no hydrogen 2.699 N/A LEU 367.A N LYS 74.A O no hydrogen 3.046 N/A ALA 368.A N GLU 111.A OE2 no hydrogen 2.895 N/A ASN 370.A ND2 ILE 109.A O no hydrogen 2.897 N/A GLU 376.A N ASP 373.A OD1 no hydrogen 2.431 N/A LEU 377.A N ASP 373.A O no hydrogen 2.787 N/A ALA 378.A N GLU 374.A O no hydrogen 3.080 N/A ALA 378.A N ARG 375.A O no hydrogen 2.697 N/A ARG 379.A N ARG 375.A O no hydrogen 3.025 N/A ARG 380.A N GLU 376.A O no hydrogen 3.142 N/A ARG 380.A NE GLU 376.A OE2 no hydrogen 2.634 N/A ARG 380.A NH1 ALA 500.A O no hydrogen 2.795 N/A ARG 380.A NH1 ALA 502.A O no hydrogen 2.832 N/A ARG 380.A NH2 GLU 376.A OE2 no hydrogen 3.140 N/A ARG 381.A N ALA 378.A O no hydrogen 2.862 N/A GLY 383.A N ARG 380.A O no hydrogen 2.594 N/A TYR 384.A N GLY 498.A O no hydrogen 2.840 N/A TYR 384.A OH THR 514.A OG1 no hydrogen 2.672 N/A TYR 388.A OH GLU 522.A OE1 no hydrogen 3.273 N/A LYS 390.A NZ GLU 391.A O no hydrogen 3.452 N/A LYS 390.A NZ VAL 536.A O no hydrogen 3.051 N/A GLU 393.A N LEU 537.A O no hydrogen 2.938 N/A TRP 397.A N GLY 580.A O no hydrogen 2.977 N/A TRP 397.A NE1 GLU 393.A O no hydrogen 3.118 N/A TRP 397.A NE1 ARG 394.A O no hydrogen 2.677 N/A ASN 399.A N VAL 578.A O no hydrogen 3.346 N/A ILE 400.A N TYR 577.A O no hydrogen 2.571 N/A VAL 401.A N ALA 546.A O no hydrogen 2.922 N/A TYR 402.A N GLY 575.A O no hydrogen 2.523 N/A LEU 403.A N LEU 544.A O no hydrogen 2.894 N/A ASP 404.A N GLU 572.A O no hydrogen 2.802 N/A PHE 405.A N ASP 542.A O no hydrogen 2.945 N/A ARG 406.A N ASP 404.A OD1 no hydrogen 3.161 N/A SER 407.A OG GLU 572.A OE1 no hydrogen 3.446 N/A TYR 409.A OH THR 541.A O no hydrogen 2.828 N/A SER 411.A N LEU 408.A O no hydrogen 2.852 N/A ILE 412.A N LEU 408.A O no hydrogen 3.140 N/A ILE 413.A N TYR 409.A O no hydrogen 3.006 N/A ILE 414.A N PRO 410.A O no hydrogen 3.041 N/A THR 415.A N SER 411.A O no hydrogen 2.618 N/A THR 415.A OG1 SER 411.A O no hydrogen 3.011 N/A HIS 416.A N ILE 412.A O no hydrogen 3.124 N/A HIS 416.A ND1 ASP 432.A OD2 no hydrogen 2.736 N/A ASN 417.A N ILE 414.A O no hydrogen 3.228 N/A ASN 417.A ND2 CYS 442.A O no hydrogen 3.288 N/A ASN 417.A ND2 PHE 445.A O no hydrogen 2.587 N/A VAL 418.A N ILE 413.A O no hydrogen 3.023 N/A SER 419.A OG ASP 421.A OD1 no hydrogen 2.601 N/A ASP 421.A N ASP 421.A OD1 no hydrogen 2.593 N/A THR 422.A N SER 419.A O no hydrogen 3.378 N/A THR 422.A OG1 ASN 417.A O no hydrogen 2.536 N/A THR 422.A OG1 SER 419.A O no hydrogen 3.178 N/A LEU 423.A N SER 419.A O no hydrogen 3.289 N/A ASN 424.A N LYS 440.A O no hydrogen 2.532 N/A ASN 424.A ND2 LYS 440.A O no hydrogen 3.126 N/A ARG 425.A N THR 422.A O no hydrogen 3.377 N/A ARG 425.A NH1 LEU 76.A O no hydrogen 2.947 N/A CYS 428.A N TYR 431.A OH no hydrogen 2.635 N/A CYS 428.A SG ARG 425.A O no hydrogen 3.669 N/A LYS 429.A N ASP 444.A OD2 no hydrogen 2.698 N/A GLU 430.A N ASP 444.A OD1 no hydrogen 3.051 N/A TYR 431.A OH ARG 425.A O no hydrogen 2.445 N/A ASP 432.A N PHE 441.A O no hydrogen 3.173 N/A ALA 434.A N HIS 439.A O no hydrogen 3.273 N/A VAL 437.A N ALA 434.A O no hydrogen 3.302 N/A VAL 437.A N PRO 435.A O no hydrogen 2.701 N/A GLY 438.A N ALA 434.A O no hydrogen 2.633 N/A HIS 439.A NE2 GLU 511.A OE1 no hydrogen 2.918 N/A PHE 441.A N ASP 432.A O no hydrogen 2.973 N/A CYS 442.A N THR 422.A O no hydrogen 3.062 N/A CYS 442.A SG GLU 430.A O no hydrogen 4.043 N/A LYS 443.A N GLU 430.A O no hydrogen 3.019 N/A LYS 443.A NZ THR 415.A O no hydrogen 3.121 N/A LYS 443.A NZ ASP 432.A OD2 no hydrogen 3.268 N/A GLY 447.A N ASN 417.A OD1 no hydrogen 3.101 N/A PHE 448.A N ASP 421.A OD2 no hydrogen 3.153 N/A SER 451.A N GLY 447.A O no hydrogen 2.908 N/A LEU 452.A N PHE 448.A O no hydrogen 3.032 N/A LEU 453.A N ILE 449.A O no hydrogen 2.642 N/A GLY 454.A N PRO 450.A O no hydrogen 2.776 N/A ASP 455.A N SER 451.A O no hydrogen 3.298 N/A LEU 456.A N LEU 452.A O no hydrogen 2.959 N/A LEU 457.A N LEU 453.A O no hydrogen 3.278 N/A GLU 458.A N GLY 454.A O no hydrogen 2.994 N/A GLU 459.A N ASP 455.A O no hydrogen 2.871 N/A ARG 460.A N LEU 456.A O no hydrogen 2.702 N/A ARG 460.A NE GLN 483.A O no hydrogen 3.097 N/A ARG 460.A NE GLN 483.A OE1 no hydrogen 2.982 N/A ARG 460.A NH2 GLN 483.A OE1 no hydrogen 2.944 N/A GLN 461.A N LEU 457.A O no hydrogen 2.913 N/A LYS 462.A N GLU 458.A O no hydrogen 2.846 N/A LYS 462.A NZ GLU 459.A OE1 no hydrogen 2.958 N/A ILE 463.A N GLU 459.A O no hydrogen 2.966 N/A LYS 464.A N ARG 460.A O no hydrogen 3.017 N/A ARG 465.A N GLN 461.A O no hydrogen 3.286 N/A LYS 466.A N LYS 462.A O no hydrogen 2.936 N/A MET 467.A N ILE 463.A O no hydrogen 2.675 N/A LYS 468.A N LYS 464.A O no hydrogen 3.105 N/A ALA 469.A N ARG 465.A O no hydrogen 2.958 N/A THR 470.A OG1 GLU 475.A OE1 no hydrogen 2.840 N/A LEU 474.A N ASP 472.A OD1 no hydrogen 2.871 N/A GLU 475.A N ASP 472.A OD1 no hydrogen 3.162 N/A LYS 476.A N ASP 472.A O no hydrogen 2.987 N/A LYS 476.A NZ MET 467.A O no hydrogen 3.346 N/A LYS 477.A N PRO 473.A O no hydrogen 3.377 N/A LYS 477.A NZ ASP 480.A OD2 no hydrogen 3.503 N/A LEU 478.A N LEU 474.A O no hydrogen 2.916 N/A LEU 479.A N GLU 475.A O no hydrogen 2.781 N/A ASP 480.A N LYS 476.A O no hydrogen 2.915 N/A TYR 481.A N LYS 477.A O no hydrogen 3.181 N/A ARG 482.A N LEU 478.A O no hydrogen 3.286 N/A ARG 482.A NE GLN 332.A OE1 no hydrogen 2.922 N/A GLN 483.A N LEU 479.A O no hydrogen 2.980 N/A GLN 483.A NE2 ASP 480.A OD1 no hydrogen 3.134 N/A ARG 484.A N ASP 480.A O no hydrogen 3.117 N/A ALA 485.A N TYR 481.A O no hydrogen 2.928 N/A ALA 485.A N ARG 482.A O no hydrogen 3.088 N/A ILE 486.A N ARG 482.A O no hydrogen 2.960 N/A LYS 487.A N GLN 483.A O no hydrogen 3.143 N/A LYS 487.A NZ GLU 572.A OE1 no hydrogen 3.125 N/A LYS 487.A NZ GLU 572.A OE2 no hydrogen 3.037 N/A ILE 488.A N ARG 484.A O no hydrogen 3.329 N/A LEU 489.A N ALA 485.A O no hydrogen 3.117 N/A ALA 490.A N ILE 486.A O no hydrogen 2.840 N/A ASN 491.A N LYS 487.A O no hydrogen 2.977 N/A SER 492.A N LEU 489.A O no hydrogen 2.778 N/A SER 492.A OG ILE 488.A O no hydrogen 2.706 N/A SER 492.A OG LEU 489.A O no hydrogen 3.519 N/A PHE 493.A N ALA 490.A O no hydrogen 3.387 N/A TYR 494.A OH THR 514.A OG1 no hydrogen 2.732 N/A TYR 496.A N SER 492.A O no hydrogen 2.872 N/A TYR 496.A OH GLU 354.A OE1 no hydrogen 2.578 N/A TYR 497.A N PHE 493.A O no hydrogen 3.033 N/A TYR 497.A N TYR 494.A O no hydrogen 3.273 N/A TYR 497.A OH VAL 418.A O no hydrogen 2.820 N/A GLY 498.A N GLY 495.A O no hydrogen 3.100 N/A TYR 499.A N TYR 496.A O no hydrogen 3.004 N/A ALA 502.A N TYR 499.A O no hydrogen 2.926 N/A ARG 503.A N GLU 354.A OE1 no hydrogen 2.976 N/A ARG 503.A NH1 PRO 369.A O no hydrogen 3.044 N/A ARG 503.A NH2 ASP 113.A OD1 no hydrogen 3.191 N/A TRP 504.A N TYR 496.A OH no hydrogen 3.160 N/A CYS 506.A N TYR 497.A O no hydrogen 2.809 N/A CYS 506.A SG GLU 508.A OE1 no hydrogen 3.851 N/A GLU 508.A N GLU 508.A OE1 no hydrogen 2.634 N/A ALA 510.A N CYS 506.A O no hydrogen 3.070 N/A GLU 511.A N LYS 507.A O no hydrogen 2.718 N/A SER 512.A N GLU 508.A O no hydrogen 2.782 N/A SER 512.A OG GLU 508.A O no hydrogen 2.802 N/A VAL 513.A N CYS 509.A O no hydrogen 2.911 N/A THR 514.A N ALA 510.A O no hydrogen 2.979 N/A THR 514.A OG1 TYR 384.A OH no hydrogen 2.672 N/A THR 514.A OG1 TYR 494.A OH no hydrogen 2.732 N/A THR 514.A OG1 ALA 510.A O no hydrogen 2.954 N/A ALA 515.A N GLU 511.A O no hydrogen 2.894 N/A TRP 516.A N SER 512.A O no hydrogen 2.936 N/A GLY 517.A N VAL 513.A O no hydrogen 2.794 N/A ARG 518.A N THR 514.A O no hydrogen 2.926 N/A ARG 518.A NH1 GLU 522.A OE2 no hydrogen 2.710 N/A GLU 519.A N ALA 515.A O no hydrogen 3.447 N/A TYR 520.A N TRP 516.A O no hydrogen 3.358 N/A ILE 521.A N GLY 517.A O no hydrogen 2.962 N/A GLU 522.A N ARG 518.A O no hydrogen 2.781 N/A MET 523.A N GLU 519.A O no hydrogen 3.085 N/A VAL 524.A N TYR 520.A O no hydrogen 3.079 N/A ILE 525.A N ILE 521.A O no hydrogen 3.068 N/A ARG 526.A N GLU 522.A O no hydrogen 3.204 N/A GLU 527.A N MET 523.A O no hydrogen 2.993 N/A LEU 528.A N VAL 524.A O no hydrogen 2.825 N/A GLU 529.A N ILE 525.A O no hydrogen 2.917 N/A GLU 530.A N ARG 526.A O no hydrogen 2.910 N/A LYS 531.A NZ GLU 527.A OE2 no hydrogen 2.790 N/A PHE 534.A N LEU 528.A O no hydrogen 3.277 N/A LYS 535.A N THR 547.A O no hydrogen 2.627 N/A VAL 536.A N GLU 529.A OE2 no hydrogen 3.516 N/A LEU 537.A N HIS 545.A O no hydrogen 2.793 N/A TYR 538.A N HIS 545.A O no hydrogen 3.170 N/A TYR 538.A OH ASP 540.A OD2 no hydrogen 3.229 N/A TYR 538.A OH LYS 585.A O no hydrogen 2.349 N/A ASP 540.A N GLY 543.A O no hydrogen 2.968 N/A ASP 542.A N ASP 540.A OD1 no hydrogen 3.142 N/A GLY 543.A N ASP 540.A O no hydrogen 2.908 N/A GLY 543.A N ASP 540.A OD1 no hydrogen 3.325 N/A LEU 544.A N LEU 403.A O no hydrogen 2.816 N/A HIS 545.A N TYR 538.A O no hydrogen 2.585 N/A ALA 546.A N VAL 401.A O no hydrogen 3.084 N/A THR 547.A N LYS 535.A O no hydrogen 2.831 N/A THR 547.A OG1 ASP 398.A O no hydrogen 2.957 N/A THR 547.A OG1 ASN 399.A O no hydrogen 2.908 N/A ALA 551.A N ILE 548.A O no hydrogen 3.124 N/A ASP 552.A N THR 555.A OG1 no hydrogen 3.222 N/A THR 555.A N ASP 552.A OD1 no hydrogen 2.778 N/A THR 555.A OG1 ASP 552.A O no hydrogen 2.914 N/A THR 555.A OG1 ASP 552.A OD2 no hydrogen 2.898 N/A VAL 556.A N ASP 552.A O no hydrogen 2.703 N/A LYS 557.A N ALA 553.A O no hydrogen 2.853 N/A LYS 558.A N GLU 554.A O no hydrogen 2.992 N/A LYS 559.A N THR 555.A O no hydrogen 2.525 N/A ALA 560.A N VAL 556.A O no hydrogen 3.045 N/A LYS 561.A N LYS 557.A O no hydrogen 2.852 N/A GLU 562.A N LYS 558.A O no hydrogen 3.315 N/A PHE 563.A N LYS 559.A O no hydrogen 3.096 N/A LEU 564.A N ALA 560.A O no hydrogen 3.286 N/A LEU 564.A N LYS 561.A O no hydrogen 2.846 N/A LYS 565.A N LYS 561.A O no hydrogen 3.237 N/A TYR 566.A N GLU 562.A O no hydrogen 2.732 N/A TYR 566.A OH GLU 527.A OE1 no hydrogen 2.284 N/A ILE 567.A N PHE 563.A O no hydrogen 2.685 N/A ASN 568.A N LEU 564.A O no hydrogen 2.818 N/A ASN 568.A ND2 LEU 571.A O no hydrogen 3.477 N/A LEU 571.A N ASN 568.A OD1 no hydrogen 3.251 N/A GLU 572.A N ASP 404.A O no hydrogen 3.239 N/A GLU 574.A N TYR 402.A O no hydrogen 2.846 N/A TYR 577.A N ILE 400.A O no hydrogen 2.640 N/A ARG 579.A NH1 LEU 625.A O no hydrogen 3.115 N/A PHE 581.A N ALA 589.A O no hydrogen 3.016 N/A VAL 583.A N LYS 587.A O no hydrogen 2.960 N/A THR 584.A N LYS 587.A O no hydrogen 3.273 N/A THR 584.A OG1 VAL 583.A O no hydrogen 2.409 N/A LYS 587.A N THR 584.A O no hydrogen 2.788 N/A TYR 588.A N ARG 600.A O no hydrogen 2.992 N/A ALA 589.A N PHE 581.A O no hydrogen 2.986 N/A VAL 590.A N THR 598.A O no hydrogen 2.961 N/A ILE 591.A N ARG 579.A O no hydrogen 3.304 N/A GLY 595.A N ASP 592.A O no hydrogen 2.963 N/A THR 598.A N VAL 590.A O no hydrogen 2.859 N/A THR 598.A OG1 LYS 596.A O no hydrogen 3.532 N/A ARG 600.A N TYR 588.A O no hydrogen 2.788 N/A ARG 606.A NH1 ASN 695.A OD1 no hydrogen 3.250 N/A ARG 606.A NH2 ASP 608.A O no hydrogen 3.039 N/A ARG 606.A NH2 ASN 695.A OD1 no hydrogen 2.979 N/A SER 610.A N GLN 696.A OE1 no hydrogen 2.427 N/A GLU 611.A N VAL 643.A O no hydrogen 2.699 N/A ALA 613.A N SER 610.A OG no hydrogen 3.211 N/A LYS 614.A N SER 610.A O no hydrogen 3.142 N/A GLU 615.A N GLU 611.A O no hydrogen 3.124 N/A THR 616.A N ILE 612.A O no hydrogen 2.758 N/A GLN 617.A N ALA 613.A O no hydrogen 3.467 N/A ALA 618.A N LYS 614.A O no hydrogen 3.288 N/A ARG 619.A N THR 616.A O no hydrogen 3.013 N/A VAL 620.A N THR 616.A O no hydrogen 2.930 N/A LEU 621.A N GLN 617.A O no hydrogen 2.808 N/A GLU 622.A N ARG 619.A O no hydrogen 3.396 N/A ALA 623.A N ARG 619.A O no hydrogen 3.242 N/A ALA 623.A N VAL 620.A O no hydrogen 3.183 N/A ILE 624.A N VAL 620.A O no hydrogen 3.247 N/A LEU 625.A N LEU 621.A O no hydrogen 3.328 N/A LYS 626.A N GLU 622.A O no hydrogen 3.186 N/A GLY 628.A N ILE 624.A O no hydrogen 2.590 N/A ASP 629.A N ALA 623.A O no hydrogen 2.924 N/A GLU 632.A N ASP 629.A OD1 no hydrogen 2.993 N/A ALA 633.A N ASP 629.A O no hydrogen 3.287 N/A VAL 634.A N VAL 630.A O no hydrogen 2.782 N/A ARG 635.A N GLU 631.A O no hydrogen 2.743 N/A ARG 635.A N GLU 632.A O no hydrogen 2.999 N/A ILE 636.A N GLU 632.A O no hydrogen 3.112 N/A VAL 637.A N ALA 633.A O no hydrogen 3.353 N/A LYS 638.A N VAL 634.A O no hydrogen 3.241 N/A VAL 640.A N ILE 636.A O no hydrogen 3.165 N/A THR 641.A N LYS 638.A O no hydrogen 3.032 N/A ILE 644.A N TYR 675.A O no hydrogen 2.983 N/A ILE 648.A N THR 671.A O no hydrogen 2.701 N/A THR 650.A OG1 HIS 653.A ND1 no hydrogen 3.192 N/A HIS 653.A N THR 650.A OG1 no hydrogen 3.262 N/A VAL 654.A N THR 650.A O no hydrogen 3.089 N/A ALA 655.A N GLY 651.A O no hydrogen 3.509 N/A VAL 656.A N PRO 652.A O no hydrogen 2.822 N/A ALA 657.A N HIS 653.A O no hydrogen 3.072 N/A ALA 657.A N VAL 654.A O no hydrogen 2.997 N/A LYS 658.A N VAL 654.A O no hydrogen 3.204 N/A ARG 659.A N ALA 655.A O no hydrogen 3.329 N/A LEU 660.A N VAL 656.A O no hydrogen 3.111 N/A ALA 661.A N ALA 657.A O no hydrogen 2.875 N/A ALA 662.A N LYS 658.A O no hydrogen 2.655 N/A ARG 663.A N LEU 660.A O no hydrogen 2.777 N/A ARG 663.A NH2 ASP 687.A OD2 no hydrogen 3.273 N/A GLY 664.A N ALA 661.A O no hydrogen 2.666 N/A VAL 665.A N LEU 660.A O no hydrogen 3.011 N/A ARG 668.A NE GLY 149.A O no hydrogen 3.480 N/A ARG 668.A NH2 GLY 149.A O no hydrogen 3.459 N/A THR 671.A OG1 ARG 668.A O no hydrogen 2.525 N/A ILE 673.A N GLU 646.A O no hydrogen 2.740 N/A TYR 675.A N ILE 644.A O no hydrogen 3.221 N/A TYR 675.A OH GLU 646.A OE1 no hydrogen 2.685 N/A ILE 676.A N ILE 684.A O no hydrogen 2.953 N/A VAL 677.A N TYR 692.A OH no hydrogen 3.418 N/A LEU 678.A N ARG 682.A O no hydrogen 2.601 N/A ILE 684.A N ILE 676.A O no hydrogen 2.873 N/A ALA 686.A N SER 674.A O no hydrogen 2.681 N/A GLU 688.A N PRO 685.A O no hydrogen 3.004 N/A TYR 692.A OH LEU 642.A O no hydrogen 2.555 N/A ILE 693.A N GLU 690.A O no hydrogen 3.329 N/A GLU 694.A N GLU 690.A O no hydrogen 3.051 N/A GLN 696.A NE2 ASP 608.A O no hydrogen 3.665 N/A GLN 696.A NE2 ASN 695.A O no hydrogen 2.653 N/A LEU 698.A N ILE 693.A O no hydrogen 2.986 N/A ALA 700.A N GLN 696.A O no hydrogen 3.303 N/A VAL 701.A N LEU 698.A O no hydrogen 2.925 N/A ARG 703.A NH1 GLY 601.A O no hydrogen 3.520 N/A LYS 706.A N ARG 703.A O no hydrogen 3.018 N/A ALA 707.A N ARG 703.A O no hydrogen 3.194 N/A PHE 708.A N LEU 705.A O no hydrogen 3.230 N/A GLY 709.A N LYS 706.A O no hydrogen 3.183 N/A