Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ziu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N GLU 455.A OE2 no hydrogen 3.160 N/A HIS 7.A N ARG 4.A O no hydrogen 2.889 N/A MET 8.A N GLY 5.A O no hydrogen 3.189 N/A TYR 9.A N TYR 458.A OH no hydrogen 2.889 N/A ASN 10.A N ASN 10.A OD1 no hydrogen 2.612 N/A HIS 11.A N TYR 9.A O no hydrogen 2.930 N/A HIS 11.A ND1 TYR 458.A OH no hydrogen 3.023 N/A HIS 11.A NE2 GLN 426.A O no hydrogen 2.962 N/A ILE 14.A N ASN 10.A O no hydrogen 3.015 N/A GLU 15.A N HIS 11.A O no hydrogen 2.883 N/A LYS 16.A N ASN 12.A O no hydrogen 3.108 N/A LYS 17.A N GLU 13.A O no hydrogen 2.966 N/A LYS 17.A NZ GLU 550.A OE1 no hydrogen 2.672 N/A LYS 17.A NZ GLU 553.A OE1 no hydrogen 2.760 N/A TRP 18.A N ILE 14.A O no hydrogen 3.083 N/A TRP 18.A NE1 GLU 550.A OE1 no hydrogen 2.877 N/A GLN 19.A N GLU 15.A O no hydrogen 2.919 N/A GLN 19.A NE2 SER 118.A O no hydrogen 3.219 N/A GLN 19.A NE2 HIS 546.A NE2 no hydrogen 3.054 N/A THR 20.A N LYS 16.A O no hydrogen 3.029 N/A THR 20.A OG1 LYS 16.A O no hydrogen 2.794 N/A ARG 21.A N LYS 17.A O no hydrogen 2.986 N/A ARG 21.A NE GLU 559.A OE1 no hydrogen 2.712 N/A ARG 21.A NH2 GLU 559.A OE2 no hydrogen 2.552 N/A TRP 22.A N TRP 18.A O no hydrogen 2.816 N/A TRP 22.A NE1 GLU 549.A OE2 no hydrogen 2.812 N/A GLU 23.A N GLN 19.A O no hydrogen 3.170 N/A LYS 24.A N THR 20.A O no hydrogen 2.987 N/A THR 25.A N ARG 21.A O no hydrogen 2.969 N/A THR 25.A OG1 ARG 21.A O no hydrogen 2.753 N/A THR 25.A OG1 TRP 22.A O no hydrogen 3.519 N/A LYS 26.A N GLU 23.A O no hydrogen 3.419 N/A ALA 27.A N TRP 22.A O no hydrogen 3.084 N/A LYS 29.A N LYS 26.A O no hydrogen 3.065 N/A THR 30.A N ASP 124.A OD2 no hydrogen 2.946 N/A THR 30.A OG1 ASP 124.A OD2 no hydrogen 2.990 N/A THR 31.A OG1 ASP 76.A OD1 no hydrogen 2.649 N/A LYS 33.A N ASP 76.A OD1 no hydrogen 2.978 N/A SER 34.A N ASP 76.A OD2 no hydrogen 3.046 N/A ASP 36.A N SER 34.A OG no hydrogen 2.893 N/A LYS 37.A NZ ASN 32.A OD1 no hydrogen 2.760 N/A LYS 37.A NZ SER 34.A O no hydrogen 3.154 N/A LYS 37.A NZ ASP 76.A OD2 no hydrogen 2.767 N/A PHE 38.A N ASP 76.A O no hydrogen 2.898 N/A TYR 39.A N ASP 359.A OD2 no hydrogen 2.728 N/A TYR 39.A OH TYR 328.A O no hydrogen 2.587 N/A ALA 40.A N LEU 78.A O no hydrogen 3.022 N/A LEU 41.A N LEU 360.A O no hydrogen 2.827 N/A MET 43.A N ILE 362.A O no hydrogen 3.267 N/A LEU 52.A N GLN 115.A OE1 no hydrogen 2.782 N/A HIS 53.A N HIS 56.A ND1 no hydrogen 3.011 N/A VAL 54.A N VAL 419.A O no hydrogen 3.256 N/A GLY 55.A N HIS 53.A ND1 no hydrogen 2.945 N/A HIS 56.A N HIS 53.A O no hydrogen 3.165 N/A GLU 58.A N GLY 55.A O no hydrogen 3.142 N/A TYR 60.A OH MET 43.A O no hydrogen 2.774 N/A THR 61.A N PRO 57.A O no hydrogen 2.714 N/A THR 61.A OG1 PRO 57.A O no hydrogen 2.709 N/A ALA 62.A N GLU 58.A O no hydrogen 3.284 N/A THR 63.A N GLY 59.A O no hydrogen 3.121 N/A THR 63.A OG1 ASP 42.A OD1 no hydrogen 2.614 N/A THR 63.A OG1 ASP 42.A OD2 no hydrogen 3.103 N/A THR 63.A OG1 TYR 60.A O no hydrogen 3.166 N/A ASP 64.A N TYR 60.A O no hydrogen 2.953 N/A ILE 65.A N THR 61.A O no hydrogen 2.945 N/A ILE 66.A N ALA 62.A O no hydrogen 3.357 N/A SER 67.A N THR 63.A O no hydrogen 2.878 N/A SER 67.A OG THR 63.A O no hydrogen 2.739 N/A ARG 68.A N ASP 64.A O no hydrogen 2.870 N/A ARG 68.A NE ASP 64.A OD2 no hydrogen 2.817 N/A ARG 68.A NH2 GLY 120.A O no hydrogen 2.839 N/A TYR 69.A N ILE 65.A O no hydrogen 2.901 N/A TYR 69.A OH GLU 503.A OE2 no hydrogen 2.688 N/A LYS 70.A N ILE 66.A O no hydrogen 2.813 N/A ARG 71.A N SER 67.A O no hydrogen 3.058 N/A ARG 71.A NH1 SER 122.A OG no hydrogen 2.859 N/A ARG 71.A NH2 SER 122.A OG no hydrogen 3.064 N/A LEU 72.A N ARG 68.A O no hydrogen 3.127 N/A LYS 73.A N TYR 69.A O no hydrogen 2.942 N/A LYS 73.A N LYS 70.A O no hydrogen 3.076 N/A LYS 73.A NZ TYR 69.A OH no hydrogen 2.739 N/A GLY 74.A N ARG 71.A O no hydrogen 2.978 N/A PHE 75.A N LYS 70.A O no hydrogen 2.966 N/A ASP 76.A N ASP 36.A O no hydrogen 2.929 N/A LEU 78.A N PHE 38.A O no hydrogen 2.938 N/A HIS 79.A ND1 ALA 40.A O no hydrogen 2.745 N/A TRP 83.A N VAL 129.A O no hydrogen 2.853 N/A TRP 83.A NE1 GLU 128.A OE1 no hydrogen 2.853 N/A ASP 84.A N PRO 45.A O no hydrogen 3.071 N/A ALA 85.A N THR 131.A OG1 no hydrogen 2.970 N/A GLY 87.A N TRP 256.A O no hydrogen 2.893 N/A GLU 91.A N GLY 87.A O no hydrogen 3.180 N/A GLN 92.A N LEU 88.A O no hydrogen 2.811 N/A TYR 93.A N PRO 89.A O no hydrogen 3.379 N/A ALA 94.A N ALA 90.A O no hydrogen 3.139 N/A LEU 95.A N GLU 91.A O no hydrogen 2.830 N/A SER 96.A N GLN 92.A O no hydrogen 2.940 N/A SER 96.A OG GLN 92.A O no hydrogen 2.964 N/A SER 96.A OG TYR 93.A O no hydrogen 3.212 N/A SER 97.A N TYR 93.A O no hydrogen 3.075 N/A SER 97.A N ALA 94.A O no hydrogen 3.037 N/A SER 97.A OG TYR 93.A O no hydrogen 2.796 N/A GLY 98.A N LEU 95.A O no hydrogen 3.116 N/A LYS 99.A N ALA 94.A O no hydrogen 2.922 N/A HIS 100.A NE2 MET 282.A O no hydrogen 2.767 N/A GLN 102.A N HIS 100.A ND1 no hydrogen 3.085 N/A PHE 104.A N HIS 100.A O no hydrogen 3.181 N/A THR 105.A N PRO 101.A O no hydrogen 2.996 N/A THR 105.A OG1 PRO 101.A O no hydrogen 2.562 N/A LEU 106.A N GLN 102.A O no hydrogen 3.484 N/A LYS 107.A N PRO 103.A O no hydrogen 2.975 N/A ASN 108.A N PHE 104.A O no hydrogen 2.837 N/A ILE 109.A N THR 105.A O no hydrogen 2.892 N/A GLU 110.A N LEU 106.A O no hydrogen 3.104 N/A ASN 111.A N LYS 107.A O no hydrogen 3.431 N/A ASN 111.A ND2 SER 50.A O no hydrogen 2.600 N/A PHE 112.A N ASN 108.A O no hydrogen 2.974 N/A ARG 113.A N ILE 109.A O no hydrogen 2.889 N/A ARG 113.A NE GLU 128.A OE2 no hydrogen 2.686 N/A ARG 113.A NH2 GLU 128.A OE1 no hydrogen 2.923 N/A ARG 113.A NH2 GLU 128.A OE2 no hydrogen 3.483 N/A ARG 114.A N GLU 110.A O no hydrogen 3.089 N/A ARG 114.A NE ASN 111.A OD1 no hydrogen 3.060 N/A ARG 114.A NH1 ASP 422.A OD1 no hydrogen 3.404 N/A ARG 114.A NH2 ASN 111.A OD1 no hydrogen 2.725 N/A ARG 114.A NH2 ASP 422.A OD1 no hydrogen 3.445 N/A ARG 114.A NH2 ASP 422.A OD2 no hydrogen 2.860 N/A GLN 115.A N ASN 111.A O no hydrogen 2.914 N/A GLN 115.A NE2 ASP 422.A OD1 no hydrogen 3.265 N/A GLN 115.A NE2 ASP 422.A OD2 no hydrogen 3.296 N/A LEU 116.A N PHE 112.A O no hydrogen 2.897 N/A LYS 117.A N ARG 113.A O no hydrogen 2.898 N/A LYS 117.A NZ GLU 23.A OE2 no hydrogen 2.898 N/A SER 118.A N ARG 114.A O no hydrogen 2.956 N/A SER 118.A OG GLN 115.A O no hydrogen 2.665 N/A LEU 119.A N LEU 116.A O no hydrogen 2.995 N/A GLY 120.A N LYS 117.A O no hydrogen 3.085 N/A SER 122.A N ASP 64.A OD1 no hydrogen 2.748 N/A SER 122.A OG ASP 64.A OD1 no hydrogen 2.663 N/A PHE 123.A N PHE 121.A O no hydrogen 2.826 N/A GLU 126.A N ASP 124.A OD1 no hydrogen 3.043 N/A LYS 127.A N ASP 124.A O no hydrogen 2.861 N/A LYS 127.A NZ TYR 331.A O no hydrogen 2.836 N/A LYS 127.A NZ LYS 334.A O no hydrogen 2.639 N/A GLU 128.A N TYR 125.A O no hydrogen 3.114 N/A THR 131.A N TRP 83.A O no hydrogen 3.141 N/A THR 131.A OG1 TRP 83.A O no hydrogen 3.568 N/A THR 132.A N ASN 130.A OD1 no hydrogen 2.872 N/A THR 132.A OG1 ASN 130.A OD1 no hydrogen 2.687 N/A ASP 133.A N.A ASN 130.A O no hydrogen 3.080 N/A ASP 133.A N.B ASN 130.A O no hydrogen 3.072 N/A SER 135.A N ASP 133.A OD1.B no hydrogen 2.903 N/A SER 135.A OG ASP 133.A OD1.B no hydrogen 2.848 N/A SER 135.A OG ASP 133.A OD2.B no hydrogen 2.433 N/A TYR 136.A N ASP 133.A O.A no hydrogen 2.868 N/A TYR 136.A N ASP 133.A O.B no hydrogen 2.701 N/A TYR 136.A OH GLY 323.A O no hydrogen 2.717 N/A TYR 137.A N ASP 133.A O.A no hydrogen 2.955 N/A TYR 137.A N ASP 133.A O.B no hydrogen 2.964 N/A ARG 138.A N PRO 134.A O no hydrogen 2.979 N/A TRP 139.A N TYR 136.A O no hydrogen 2.888 N/A GLN 141.A N TYR 137.A O no hydrogen 2.924 N/A GLN 141.A NE2 PRO 259.A O no hydrogen 2.853 N/A GLN 141.A NE2 VAL 277.A O no hydrogen 2.737 N/A TRP 142.A N ARG 138.A O no hydrogen 3.003 N/A ILE 143.A N TRP 139.A O no hydrogen 2.898 N/A PHE 144.A N THR 140.A O no hydrogen 3.085 N/A LYS 145.A N GLN 141.A O no hydrogen 2.934 N/A LYS 145.A NZ ILE 273.A O no hydrogen 2.609 N/A GLN 146.A N TRP 142.A O no hydrogen 2.967 N/A GLN 146.A NE2 TRP 142.A O no hydrogen 2.954 N/A ILE 147.A N ILE 143.A O no hydrogen 2.850 N/A TYR 148.A N PHE 144.A O no hydrogen 2.906 N/A LYS 149.A N LYS 145.A O no hydrogen 2.861 N/A LYS 149.A NZ GLN 146.A OE1 no hydrogen 3.135 N/A LYS 150.A N GLN 146.A O no hydrogen 3.019 N/A GLY 151.A N TYR 148.A O no hydrogen 2.764 N/A LEU 152.A N ILE 147.A O no hydrogen 2.890 N/A GLU 154.A N VAL 201.A O no hydrogen 3.026 N/A ARG 156.A N GLN 199.A O no hydrogen 3.078 N/A ARG 156.A NH1 GLU 154.A OE2 no hydrogen 2.981 N/A ARG 156.A NH1 ASP 247.A OD2 no hydrogen 3.204 N/A ARG 156.A NH2 ASP 247.A OD2 no hydrogen 2.761 N/A VAL 158.A N MET 197.A O no hydrogen 3.013 N/A VAL 160.A N LYS 195.A O no hydrogen 2.759 N/A ASN 161.A ND2 LEU 170.A O no hydrogen 3.035 N/A ASN 161.A ND2 ASN 172.A OD1 no hydrogen 2.921 N/A TRP 162.A N TYR 193.A O no hydrogen 2.799 N/A CYS 163.A N THR 168.A O no hydrogen 2.972 N/A CYS 163.A SG PRO 191.A O no hydrogen 3.796 N/A LEU 166.A N CYS 163.A O no hydrogen 3.101 N/A GLY 167.A N CYS 163.A O no hydrogen 2.879 N/A GLY 167.A N PRO 164.A O no hydrogen 3.169 N/A THR 168.A N CYS 163.A O no hydrogen 3.407 N/A THR 168.A OG1 VAL 169.A O no hydrogen 2.843 N/A THR 168.A OG1 GLN 253.A OE1 no hydrogen 3.250 N/A VAL 169.A N GLN 253.A OE1 no hydrogen 2.942 N/A LEU 170.A N ASN 161.A O no hydrogen 2.963 N/A ALA 171.A N GLU 174.A OE1 no hydrogen 2.792 N/A ASN 172.A ND2 GLN 246.A OE1 no hydrogen 2.851 N/A GLU 174.A N ALA 171.A O no hydrogen 3.010 N/A ILE 175.A N ASN 172.A O no hydrogen 3.349 N/A VAL 176.A N VAL 184.A O no hydrogen 2.884 N/A ASN 178.A N GLU 182.A O no hydrogen 2.724 N/A ASN 178.A ND2 GLU 182.A OE1 no hydrogen 2.925 N/A LYS 180.A N ASN 178.A OD1 no hydrogen 2.979 N/A GLY 181.A N ASN 178.A O no hydrogen 2.815 N/A GLU 182.A N ASN 178.A OD1 no hydrogen 2.829 N/A VAL 184.A N VAL 176.A O no hydrogen 2.864 N/A SER 185.A N PHE 190.A O no hydrogen 2.762 N/A SER 185.A OG ARG 187.A O no hydrogen 2.658 N/A GLU 186.A N GLU 174.A O no hydrogen 2.757 N/A SER 189.A N SER 185.A O no hydrogen 2.928 N/A PHE 190.A N SER 185.A OG no hydrogen 2.870 N/A VAL 192.A N MET 183.A O no hydrogen 3.128 N/A TYR 193.A N TRP 162.A O no hydrogen 3.134 N/A LYS 194.A NZ ASN 161.A OD1 no hydrogen 2.692 N/A LYS 195.A N VAL 160.A O no hydrogen 2.999 N/A MET 197.A N VAL 158.A O no hydrogen 2.932 N/A GLN 199.A N ARG 156.A O no hydrogen 3.050 N/A TRP 200.A NE1 ASP 314.A OD2 no hydrogen 2.839 N/A VAL 201.A N GLU 154.A O no hydrogen 2.855 N/A LEU 202.A N TRP 248.A O no hydrogen 2.898 N/A LYS 203.A N LEU 152.A O no hydrogen 2.749 N/A LYS 203.A NZ GLY 151.A O no hydrogen 3.315 N/A ILE 204.A N LEU 202.A O no hydrogen 2.825 N/A THR 205.A N ASP 247.A OD1 no hydrogen 3.056 N/A THR 205.A OG1 ASP 247.A OD1 no hydrogen 2.569 N/A ASN 206.A N LYS 203.A O no hydrogen 3.303 N/A TYR 207.A N ILE 204.A O no hydrogen 2.784 N/A TYR 207.A OH ASP 384.A OD2 no hydrogen 2.727 N/A ALA 208.A N THR 205.A O no hydrogen 3.040 N/A ARG 210.A NH1 ASP 384.A OD1 no hydrogen 3.520 N/A ARG 210.A NH1 ASP 384.A OD2 no hydrogen 2.837 N/A ARG 210.A NH2 ASP 384.A OD1 no hydrogen 2.957 N/A LEU 211.A N TYR 207.A O no hydrogen 2.846 N/A LEU 212.A N ALA 208.A O no hydrogen 2.994 N/A GLU 213.A N ASP 209.A O no hydrogen 2.924 N/A ASP 214.A N ARG 210.A O no hydrogen 2.873 N/A LEU 215.A N LEU 212.A O no hydrogen 3.346 N/A ASN 216.A N GLU 213.A O no hydrogen 3.021 N/A ASN 216.A ND2 GLU 213.A OE2 no hydrogen 2.944 N/A LEU 217.A N ASP 214.A O no hydrogen 3.055 N/A LEU 218.A N LEU 215.A O no hydrogen 3.037 N/A ASP 219.A N GLN 395.A O no hydrogen 2.851 N/A TRP 220.A NE1 PHE 394.A O no hydrogen 2.860 N/A SER 223.A OG GLN 365.A OE1 no hydrogen 3.263 N/A LYS 225.A N PRO 221.A O no hydrogen 3.044 N/A LYS 225.A NZ LEU 215.A O no hydrogen 2.968 N/A LYS 225.A NZ LEU 218.A O no hydrogen 2.855 N/A LYS 226.A N ASP 222.A O no hydrogen 2.894 N/A LEU 227.A N SER 223.A O no hydrogen 3.133 N/A GLN 228.A N LEU 224.A O no hydrogen 3.108 N/A GLN 228.A NE2 ALA 368.A O no hydrogen 2.911 N/A GLN 228.A NE2 LEU 372.A O no hydrogen 2.965 N/A THR 229.A N LYS 225.A O no hydrogen 2.857 N/A THR 229.A OG1 LYS 225.A O no hydrogen 2.774 N/A ASN 230.A N LYS 226.A O no hydrogen 2.820 N/A TRP 231.A N LEU 227.A O no hydrogen 2.934 N/A TRP 231.A NE1 GLU 173.A OE2 no hydrogen 2.848 N/A ILE 232.A N GLN 228.A O no hydrogen 2.829 N/A GLY 233.A N THR 229.A O no hydrogen 2.909 N/A LYS 234.A NZ ASP 209.A OD1 no hydrogen 2.863 N/A GLU 235.A N THR 242.A O no hydrogen 2.917 N/A ILE 237.A N LYS 240.A O no hydrogen 2.942 N/A GLY 239.A N GLU 236.A OE2 no hydrogen 2.750 N/A LYS 240.A N ILE 237.A O no hydrogen 3.062 N/A THR 242.A N GLU 235.A O no hydrogen 2.781 N/A THR 242.A OG1 GLU 235.A O no hydrogen 2.998 N/A TYR 243.A OH ASP 209.A OD1 no hydrogen 2.560 N/A LYS 244.A N GLY 233.A O no hydrogen 3.266 N/A LEU 245.A N ILE 232.A O no hydrogen 3.184 N/A TRP 248.A N LEU 202.A O no hydrogen 2.878 N/A PHE 250.A N TRP 200.A O no hydrogen 2.975 N/A ARG 252.A N THR 317.A O no hydrogen 2.713 N/A ARG 252.A NH1 ILE 249.A O no hydrogen 3.029 N/A ARG 252.A NH1 ALA 251.A O no hydrogen 2.880 N/A ARG 252.A NH2 GLU 174.A OE2 no hydrogen 3.194 N/A ARG 252.A NH2 ILE 249.A O no hydrogen 3.218 N/A GLN 253.A N THR 168.A OG1 no hydrogen 2.945 N/A GLN 253.A NE2 GLN 199.A OE1 no hydrogen 3.193 N/A GLN 253.A NE2 ASN 316.A OD1 no hydrogen 3.043 N/A ARG 254.A NE GLU 91.A OE1 no hydrogen 2.746 N/A ARG 254.A NH1 LEU 166.A O no hydrogen 2.760 N/A ARG 254.A NH2 GLU 91.A OE1 no hydrogen 2.767 N/A ARG 254.A NH2 GLN 92.A OE1 no hydrogen 2.843 N/A TYR 255.A OH PRO 280.A O no hydrogen 2.736 N/A TRP 256.A N GLU 91.A OE2 no hydrogen 2.936 N/A TRP 256.A NE1 ALA 85.A O no hydrogen 2.886 N/A GLY 257.A N TYR 255.A O no hydrogen 2.988 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.761 N/A VAL 262.A N PHE 260.A O no hydrogen 2.785 N/A TYR 263.A N TYR 271.A O no hydrogen 2.926 N/A PHE 264.A N LYS 312.A O no hydrogen 2.729 N/A ASP 265.A N ASN 269.A O no hydrogen 3.378 N/A ASP 267.A N ASP 265.A OD1 no hydrogen 2.788 N/A ASN 268.A N ASP 265.A O no hydrogen 2.895 N/A ASN 269.A N ASP 265.A OD1 no hydrogen 3.033 N/A ASN 269.A ND2 ASP 265.A OD1 no hydrogen 3.279 N/A ASN 269.A ND2 ASP 265.A OD2 no hydrogen 2.786 N/A TYR 271.A N TYR 263.A O no hydrogen 2.833 N/A TYR 271.A OH ASP 265.A OD2 no hydrogen 2.737 N/A ILE 273.A N PRO 261.A O no hydrogen 2.959 N/A GLU 275.A N GLU 275.A OE1 no hydrogen 2.885 N/A VAL 277.A N GLN 141.A OE1 no hydrogen 3.024 N/A LEU 279.A N TYR 137.A OH no hydrogen 3.059 N/A MET 282.A N TYR 255.A OH no hydrogen 3.276 N/A SER 288.A OG THR 290.A OG1 no hydrogen 2.617 N/A SER 288.A OG GLU 292.A O no hydrogen 3.371 N/A THR 290.A N SER 288.A OG no hydrogen 3.256 N/A THR 290.A OG1 SER 288.A OG no hydrogen 2.617 N/A GLU 292.A N THR 290.A OG1 no hydrogen 3.180 N/A ALA 296.A N GLY 293.A O no hydrogen 3.027 N/A THR 297.A N PRO 294.A O no hydrogen 3.311 N/A THR 297.A OG1 PRO 294.A O no hydrogen 3.034 N/A ASN 298.A N LEU 295.A O no hydrogen 3.029 N/A TRP 301.A N ASN 298.A OD1 no hydrogen 3.315 N/A VAL 302.A N ASN 298.A O no hydrogen 2.878 N/A GLN 303.A N THR 299.A O no hydrogen 3.098 N/A TYR 304.A N PHE 311.A O no hydrogen 2.797 N/A LYS 306.A N LYS 309.A O no hydrogen 3.071 N/A LYS 306.A NZ TYR 263.A OH no hydrogen 3.391 N/A LYS 309.A N LYS 306.A O no hydrogen 2.994 N/A PHE 311.A N TYR 304.A O no hydrogen 2.817 N/A LYS 312.A N PHE 264.A O no hydrogen 2.995 N/A ARG 313.A N VAL 302.A O no hydrogen 2.803 N/A ARG 313.A NE TRP 301.A O no hydrogen 2.780 N/A ASP 314.A N VAL 262.A O no hydrogen 3.161 N/A ASN 316.A N ASP 314.A OD1 no hydrogen 2.925 N/A ASN 316.A ND2 ASP 314.A OD1 no hydrogen 3.165 N/A THR 317.A N ARG 252.A O no hydrogen 2.941 N/A THR 317.A OG1 ARG 254.A O no hydrogen 2.721 N/A MET 318.A N GLU 258.A O no hydrogen 2.840 N/A GLN 320.A NE2 TYR 46.A OH no hydrogen 2.873 N/A TRP 321.A NE1 GLU 174.A OE2 no hydrogen 2.698 N/A ALA 322.A N PRO 319.A O no hydrogen 3.029 N/A SER 324.A OG TRP 321.A O no hydrogen 3.242 N/A CYS 325.A SG TRP 321.A O no hydrogen 2.975 N/A TRP 326.A NE1 THR 140.A OG1 no hydrogen 2.858 N/A TYR 327.A OH ASP 42.A O no hydrogen 3.332 N/A TYR 327.A OH TYR 361.A OH no hydrogen 2.685 N/A TYR 328.A OH HIS 379.A ND1 no hydrogen 2.627 N/A LEU 329.A N TRP 326.A O no hydrogen 2.818 N/A ALA 330.A N TRP 326.A O no hydrogen 3.248 N/A TYR 331.A N TYR 327.A O no hydrogen 3.171 N/A ILE 332.A N LEU 329.A O no hydrogen 3.016 N/A MET 333.A N LEU 329.A O no hydrogen 3.044 N/A LYS 334.A N ALA 330.A O no hydrogen 2.811 N/A LYS 334.A NZ GLU 126.A O no hydrogen 3.067 N/A LYS 334.A NZ GLU 128.A O no hydrogen 2.822 N/A GLN 335.A N THR 339.A O no hydrogen 2.796 N/A GLN 335.A NE2 MET 333.A O no hydrogen 2.934 N/A GLY 338.A N GLN 335.A O no hydrogen 2.802 N/A THR 339.A N ASP 337.A OD1 no hydrogen 2.971 N/A THR 339.A OG1 ASP 337.A OD1 no hydrogen 2.545 N/A LEU 341.A N MET 333.A O no hydrogen 2.966 N/A SER 345.A N PRO 342.A O no hydrogen 3.006 N/A SER 345.A OG PRO 342.A O no hydrogen 2.733 N/A LYS 346.A NZ GLU 350.A OE2 no hydrogen 2.397 N/A ALA 348.A N SER 345.A OG no hydrogen 3.093 N/A TYR 349.A N SER 345.A O no hydrogen 3.058 N/A GLU 350.A N LYS 346.A O no hydrogen 3.035 N/A ALA 351.A N LYS 347.A O no hydrogen 2.975 N/A PHE 352.A N ALA 348.A O no hydrogen 2.715 N/A SER 353.A N TYR 349.A O no hydrogen 2.904 N/A SER 353.A OG TYR 349.A O no hydrogen 2.812 N/A LYS 354.A N GLU 350.A O no hydrogen 2.939 N/A LYS 354.A NZ ASN 32.A OD1 no hydrogen 3.081 N/A TRP 355.A N ALA 351.A O no hydrogen 3.020 N/A LEU 356.A N PHE 352.A O no hydrogen 2.927 N/A VAL 358.A N PRO 393.A O no hydrogen 2.970 N/A ASP 359.A N TYR 39.A O no hydrogen 2.956 N/A LEU 360.A N TYR 39.A O no hydrogen 3.236 N/A TYR 361.A N LYS 396.A O no hydrogen 2.888 N/A TYR 361.A OH TYR 327.A OH no hydrogen 2.685 N/A TYR 361.A OH HIS 371.A NE2 no hydrogen 2.593 N/A ILE 362.A N LEU 41.A O no hydrogen 3.060 N/A GLY 363.A N ILE 398.A O no hydrogen 3.229 N/A GLU 366.A N GLU 366.A OE1 no hydrogen 2.755 N/A HIS 367.A N GLY 364.A O no hydrogen 3.341 N/A ALA 368.A N GLN 365.A O no hydrogen 2.877 N/A LEU 370.A N HIS 367.A O no hydrogen 2.989 N/A HIS 371.A NE2 TYR 361.A OH no hydrogen 2.593 N/A LEU 372.A N HIS 367.A O no hydrogen 3.075 N/A LEU 373.A N LEU 370.A O no hydrogen 2.997 N/A TYR 374.A N LEU 370.A O no hydrogen 2.820 N/A TYR 374.A OH GLU 173.A OE1 no hydrogen 2.624 N/A ALA 375.A N HIS 371.A O no hydrogen 2.856 N/A ARG 376.A NE GLU 392.A OE1 no hydrogen 2.846 N/A ARG 376.A NE GLU 392.A OE2 no hydrogen 3.405 N/A ARG 376.A NH1 LEU 211.A O no hydrogen 2.884 N/A ARG 376.A NH1 GLN 228.A OE1 no hydrogen 2.867 N/A ARG 376.A NH2 LEU 211.A O no hydrogen 2.889 N/A ARG 376.A NH2 GLU 392.A OE2 no hydrogen 2.740 N/A PHE 377.A N LEU 373.A O no hydrogen 3.122 N/A TRP 378.A N TYR 374.A O no hydrogen 3.068 N/A HIS 379.A N ALA 375.A O no hydrogen 2.954 N/A HIS 379.A ND1 TYR 328.A OH no hydrogen 2.627 N/A HIS 379.A NE2 THR 390.A O no hydrogen 2.742 N/A HIS 379.A NE2 THR 390.A OG1 no hydrogen 2.937 N/A LYS 380.A N ARG 376.A O no hydrogen 2.969 N/A LYS 380.A NZ ASP 214.A OD2 no hydrogen 2.820 N/A LYS 380.A NZ LYS 391.A O no hydrogen 2.878 N/A LYS 380.A NZ GLU 392.A OE2 no hydrogen 2.643 N/A ILE 381.A N PHE 377.A O no hydrogen 3.184 N/A LEU 382.A N TRP 378.A O no hydrogen 2.957 N/A TYR 383.A N HIS 379.A O no hydrogen 2.879 N/A ASP 384.A N LYS 380.A O no hydrogen 2.856 N/A LEU 385.A N ILE 381.A O no hydrogen 2.996 N/A LYS 386.A N TYR 383.A O no hydrogen 2.967 N/A ILE 387.A N LEU 382.A O no hydrogen 2.780 N/A VAL 388.A N LEU 382.A O no hydrogen 3.450 N/A THR 390.A OG1 HIS 379.A NE2 no hydrogen 2.937 N/A THR 390.A OG1 GLU 392.A O no hydrogen 2.829 N/A GLN 395.A N VAL 358.A O no hydrogen 2.915 N/A GLN 395.A NE2 LEU 217.A O no hydrogen 2.994 N/A LEU 397.A N ASP 219.A O no hydrogen 3.220 N/A ILE 398.A N TYR 361.A O no hydrogen 2.912 N/A ASN 399.A ND2 GLY 363.A O no hydrogen 2.807 N/A GLN 400.A N GLN 400.A OE1 no hydrogen 2.811 N/A GLY 401.A N LEU 443.A O no hydrogen 2.909 N/A LEU 404.A N LYS 447.A O no hydrogen 2.637 N/A GLY 405.A N GLN 409.A O no hydrogen 2.879 N/A GLY 408.A N GLY 405.A O no hydrogen 2.965 N/A GLN 409.A N ASP 407.A OD1 no hydrogen 2.898 N/A GLN 409.A NE2 ASP 407.A OD2 no hydrogen 2.720 N/A MET 411.A N ILE 403.A O no hydrogen 2.917 N/A SER 412.A N ASN 417.A OD1 no hydrogen 2.844 N/A LEU 415.A N SER 412.A O no hydrogen 3.062 N/A LEU 415.A N SER 412.A OG no hydrogen 3.407 N/A GLY 416.A N LYS 413.A O no hydrogen 3.060 N/A ASN 417.A ND2 ASP 407.A OD1 no hydrogen 2.993 N/A ASN 417.A ND2 ASP 407.A OD2 no hydrogen 3.391 N/A ASN 417.A ND2 LYS 410.A O no hydrogen 2.816 N/A ASP 422.A N ASN 420.A OD1 no hydrogen 2.904 N/A GLU 423.A N ASN 420.A O no hydrogen 3.174 N/A ILE 424.A N ASN 420.A O no hydrogen 3.485 N/A ILE 425.A N PRO 421.A O no hydrogen 2.805 N/A GLN 426.A N ASP 422.A O no hydrogen 2.939 N/A GLN 426.A NE2.A ASN 427.A OD1 no hydrogen 2.907 N/A ASN 427.A N GLU 423.A O no hydrogen 2.845 N/A PHE 428.A N ILE 424.A O no hydrogen 2.721 N/A GLY 429.A N ILE 424.A O no hydrogen 3.038 N/A ALA 430.A N GLU 15.A OE1 no hydrogen 2.871 N/A ASP 431.A N GLU 15.A OE2 no hydrogen 3.187 N/A THR 432.A OG1 PHE 428.A O no hydrogen 3.545 N/A LEU 433.A N GLY 429.A O no hydrogen 3.096 N/A ARG 434.A N ALA 430.A O no hydrogen 2.980 N/A ARG 434.A NE ILE 543.A O no hydrogen 2.851 N/A ARG 434.A NH1 ASP 64.A OD2 no hydrogen 3.113 N/A ARG 434.A NH1 LEU 119.A O no hydrogen 2.908 N/A ARG 434.A NH2 ASP 64.A OD2 no hydrogen 2.664 N/A ARG 434.A NH2 THR 542.A O no hydrogen 3.162 N/A VAL 435.A N ASP 431.A O no hydrogen 2.920 N/A TYR 436.A N THR 432.A O no hydrogen 2.778 N/A GLU 437.A N LEU 433.A O no hydrogen 2.970 N/A MET 438.A N ARG 434.A O no hydrogen 3.306 N/A PHE 439.A N VAL 435.A O no hydrogen 2.946 N/A MET 440.A N TYR 436.A O no hydrogen 2.936 N/A ASP 445.A N PRO 442.A O no hydrogen 3.114 N/A LYS 447.A N MET 402.A O no hydrogen 3.025 N/A LYS 447.A NZ GLU 58.A OE2 no hydrogen 2.713 N/A LYS 447.A NZ PRO 442.A O no hydrogen 2.811 N/A LYS 447.A NZ LEU 443.A O no hydrogen 2.886 N/A LYS 447.A NZ ASP 445.A O no hydrogen 2.799 N/A LYS 448.A NZ LYS 406.A O no hydrogen 2.762 N/A TRP 449.A N LEU 404.A O no hydrogen 2.992 N/A ASN 450.A N TYR 436.A OH no hydrogen 2.880 N/A SER 452.A OG ASN 450.A OD1 no hydrogen 2.747 N/A THR 453.A N ASN 450.A OD1 no hydrogen 3.100 N/A VAL 454.A N ASN 450.A O no hydrogen 3.140 N/A GLU 455.A N GLU 451.A O no hydrogen 3.085 N/A ALA 456.A N SER 452.A O no hydrogen 2.927 N/A THR 457.A N THR 453.A O no hydrogen 2.955 N/A THR 457.A OG1 THR 453.A O no hydrogen 2.883 N/A TYR 458.A N VAL 454.A O no hydrogen 3.030 N/A TYR 458.A OH HIS 11.A ND1 no hydrogen 3.023 N/A LYS 459.A N GLU 455.A O no hydrogen 3.054 N/A TRP 460.A N ALA 456.A O no hydrogen 3.032 N/A ILE 461.A N THR 457.A O no hydrogen 3.032 N/A LEU 462.A N TYR 458.A O no hydrogen 2.976 N/A ARG 463.A N LYS 459.A O no hydrogen 2.878 N/A ARG 463.A NH2 ASN 519.A OD1 no hydrogen 2.832 N/A VAL 464.A N TRP 460.A O no hydrogen 2.946 N/A LYS 465.A N ILE 461.A O no hydrogen 2.965 N/A ARG 466.A N LEU 462.A O no hydrogen 2.947 N/A ARG 466.A NH2 SER 6.A O no hydrogen 2.763 N/A ILE 467.A N ARG 463.A O no hydrogen 3.128 N/A PHE 468.A N VAL 464.A O no hydrogen 3.072 N/A GLN 469.A N LYS 465.A O no hydrogen 3.040 N/A GLN 469.A NE2 GLU 473.A OE1 no hydrogen 3.087 N/A ILE 470.A N ARG 466.A O no hydrogen 3.012 N/A PHE 471.A N ILE 467.A O no hydrogen 3.258 N/A ILE 472.A N PHE 468.A O no hydrogen 2.947 N/A GLU 473.A N GLN 469.A O no hydrogen 2.971 N/A SER 476.A N ASP 474.A OD1 no hydrogen 3.147 N/A SER 476.A OG ASP 474.A OD1 no hydrogen 2.519 N/A LYS 477.A N ASP 474.A O no hydrogen 2.985 N/A LYS 477.A NZ GLU 525.A O no hydrogen 2.818 N/A ILE 478.A N LYS 475.A O no hydrogen 3.066 N/A ASN 479.A N ILE 527.A O no hydrogen 3.092 N/A HIS 482.A N ASN 479.A O no hydrogen 2.956 N/A LYS 483.A NZ ASP 485.A OD1 no hydrogen 3.486 N/A LYS 483.A NZ ASP 485.A OD2 no hydrogen 2.631 N/A GLN 486.A N GLN 486.A OE1 no hydrogen 2.785 N/A PHE 487.A N ASP 484.A O no hydrogen 3.099 N/A PHE 487.A N ASP 484.A OD1 no hydrogen 3.061 N/A ILE 488.A N ASP 484.A O no hydrogen 3.288 N/A SER 489.A N ASP 485.A O no hydrogen 2.910 N/A GLU 490.A N GLN 486.A O no hydrogen 2.730 N/A HIS 491.A N PHE 487.A O no hydrogen 2.857 N/A HIS 491.A ND1 TYR 528.A OH no hydrogen 2.671 N/A HIS 491.A NE2 ASP 535.A OD2 no hydrogen 2.857 N/A ASN 492.A N ILE 488.A O no hydrogen 3.150 N/A ASN 492.A ND2 ILE 488.A O no hydrogen 2.707 N/A LEU 493.A N SER 489.A O no hydrogen 2.915 N/A LEU 494.A N GLU 490.A O no hydrogen 2.802 N/A ILE 495.A N HIS 491.A O no hydrogen 3.271 N/A LYS 496.A N ASN 492.A O no hydrogen 3.257 N/A LYS 496.A NZ ASN 570.A OD1 no hydrogen 3.431 N/A LYS 496.A NZ GLU 593.A OE1 no hydrogen 2.559 N/A LYS 496.A NZ GLU 593.A OE2 no hydrogen 3.320 N/A GLU 497.A N LEU 493.A O no hydrogen 2.759 N/A ILE 498.A N LEU 494.A O no hydrogen 2.836 N/A THR 499.A N ILE 495.A O no hydrogen 3.062 N/A THR 499.A OG1 ILE 495.A O no hydrogen 2.601 N/A GLN 500.A N LYS 496.A O no hydrogen 3.087 N/A GLN 500.A NE2 ASP 504.A OD1 no hydrogen 3.053 N/A GLN 500.A NE2 ASP 504.A OD2 no hydrogen 3.079 N/A ASP 501.A N GLU 497.A O no hydrogen 2.940 N/A ILE 502.A N ILE 498.A O no hydrogen 2.895 N/A GLU 503.A N THR 499.A O no hydrogen 2.964 N/A ASP 504.A N GLN 500.A O no hydrogen 2.901 N/A LEU 505.A N ILE 502.A O no hydrogen 2.752 N/A LYS 506.A N ASP 501.A O no hydrogen 2.886 N/A MET 510.A N LYS 506.A O no hydrogen 3.078 N/A ILE 511.A N PHE 507.A O no hydrogen 3.090 N/A SER 512.A N ASN 508.A O no hydrogen 3.001 N/A SER 512.A OG ASN 508.A O no hydrogen 3.499 N/A LYS 513.A N ILE 509.A O no hydrogen 2.940 N/A LYS 513.A NZ ASP 501.A OD2 no hydrogen 2.939 N/A LEU 514.A N MET 510.A O no hydrogen 3.008 N/A MET 515.A N ILE 511.A O no hydrogen 2.858 N/A ILE 516.A N SER 512.A O no hydrogen 3.010 N/A PHE 517.A N LYS 513.A O no hydrogen 3.075 N/A VAL 518.A N LEU 514.A O no hydrogen 3.038 N/A ASN 519.A N MET 515.A O no hydrogen 2.906 N/A SER 520.A N ILE 516.A O no hydrogen 3.065 N/A SER 520.A OG GLU 490.A OE1 no hydrogen 2.642 N/A SER 520.A OG GLU 490.A OE2 no hydrogen 3.327 N/A LEU 521.A N PHE 517.A O no hydrogen 2.868 N/A TYR 522.A N VAL 518.A O no hydrogen 3.054 N/A TYR 522.A OH ARG 463.A O no hydrogen 2.636 N/A LYS 523.A N SER 520.A O no hydrogen 2.933 N/A LYS 524.A N LEU 521.A O no hydrogen 3.058 N/A LYS 524.A NZ ASP 484.A OD2 no hydrogen 2.828 N/A ILE 527.A N LYS 477.A O no hydrogen 2.974 N/A TYR 528.A OH HIS 491.A ND1 no hydrogen 2.671 N/A LYS 531.A N SER 529.A OG no hydrogen 2.953 N/A LYS 531.A NZ ASP 535.A OD2 no hydrogen 2.675 N/A LYS 531.A NZ THR 567.A O no hydrogen 3.531 N/A LEU 533.A N LEU 530.A O no hydrogen 2.972 N/A LYS 534.A N LEU 530.A O no hydrogen 3.045 N/A LYS 534.A NZ GLU 557.A OE1 no hydrogen 2.833 N/A ASP 535.A N LYS 531.A O no hydrogen 2.847 N/A PHE 536.A N PRO 532.A O no hydrogen 2.916 N/A ALA 537.A N LEU 533.A O no hydrogen 2.884 N/A ILE 538.A N LYS 534.A O no hydrogen 2.933 N/A MET 539.A N ASP 535.A O no hydrogen 3.031 N/A PHE 540.A N PHE 536.A O no hydrogen 2.775 N/A SER 541.A N ALA 537.A O no hydrogen 2.925 N/A SER 541.A OG ILE 538.A O no hydrogen 2.600 N/A THR 542.A N MET 539.A O no hydrogen 3.396 N/A THR 542.A OG1 MET 539.A O no hydrogen 2.900 N/A ILE 543.A N PHE 540.A O no hydrogen 2.973 N/A ALA 544.A N PHE 540.A O no hydrogen 2.795 N/A HIS 546.A N ASP 431.A OD1 no hydrogen 3.245 N/A HIS 546.A ND1 ASP 431.A OD1 no hydrogen 2.735 N/A ILE 547.A N ASP 431.A OD2 no hydrogen 2.775 N/A SER 548.A N ALA 544.A O no hydrogen 3.130 N/A SER 548.A OG ALA 537.A O no hydrogen 3.505 N/A SER 548.A OG ALA 544.A O no hydrogen 2.759 N/A GLU 549.A N PRO 545.A O no hydrogen 2.970 N/A GLU 550.A N HIS 546.A O no hydrogen 3.085 N/A LEU 551.A N ILE 547.A O no hydrogen 2.868 N/A LEU 552.A N SER 548.A O no hydrogen 2.917 N/A GLU 553.A N GLU 549.A O no hydrogen 2.921 N/A SER 554.A N GLU 550.A O no hydrogen 2.961 N/A SER 554.A OG LEU 551.A O no hydrogen 2.657 N/A LEU 555.A N LEU 551.A O no hydrogen 2.988 N/A LEU 555.A N LEU 552.A O no hydrogen 3.069 N/A GLY 556.A N GLU 553.A O no hydrogen 2.818 N/A GLU 557.A N LEU 552.A O no hydrogen 3.036 N/A ILE 560.A N GLU 549.A OE1 no hydrogen 2.907 N/A PHE 562.A N GLU 559.A O no hydrogen 2.907 N/A GLN 563.A N ILE 560.A O no hydrogen 2.840 N/A GLN 563.A NE2 LYS 558.A O no hydrogen 2.725 N/A TRP 565.A N LEU 72.A O no hydrogen 2.904 N/A TRP 565.A NE1 THR 499.A OG1 no hydrogen 2.833 N/A GLU 569.A N ASN 492.A OD1 no hydrogen 2.962 N/A ASN 570.A ND2 ASN 570.A O no hydrogen 2.696 N/A LYS 572.A N GLU 569.A O no hydrogen 2.990 N/A ILE 573.A N ASN 570.A O no hydrogen 3.242 N/A LEU 574.A N SER 489.A OG no hydrogen 2.888 N/A LEU 575.A N ILE 573.A O no hydrogen 2.865 N/A VAL 580.A N PHE 592.A O no hydrogen 2.888 N/A ALA 581.A N LYS 615.A O no hydrogen 3.159 N/A ILE 582.A N GLU 590.A O no hydrogen 2.762 N/A GLN 583.A N LEU 617.A O no hydrogen 2.979 N/A VAL 584.A N LYS 587.A O no hydrogen 2.915 N/A ASN 585.A ND2 ASN 585.A O no hydrogen 2.762 N/A GLY 586.A N ASN 618.A OD1 no hydrogen 3.036 N/A ARG 589.A N ILE 582.A O no hydrogen 3.041 N/A GLU 590.A N ILE 582.A O no hydrogen 3.301 N/A PHE 592.A N VAL 580.A O no hydrogen 3.224 N/A ILE 594.A N ASP 578.A O no hydrogen 3.075 N/A GLU 605.A N ARG 602.A O no hydrogen 3.271 N/A GLU 606.A N VAL 603.A O no hydrogen 3.346 N/A LYS 614.A NZ ASP 578.A OD2 no hydrogen 3.258 N/A LEU 617.A N ALA 581.A O no hydrogen 2.835 N/A PHE 619.A N GLN 583.A O no hydrogen 3.177 N/A