Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a6b_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG LEU 25.A O no hydrogen 2.627 N/A VAL 3.A N SER 1.A OG no hydrogen 3.089 N/A ARG 4.A N VAL 28.A O no hydrogen 3.043 N/A THR 6.A N VAL 30.A O no hydrogen 2.893 N/A SER 9.A N GLN 12.A OE1 no hydrogen 3.067 N/A LYS 11.A NZ GLN 155.A O no hydrogen 2.885 N/A LYS 11.A NZ GLN 155.A OE1 no hydrogen 2.865 N/A LYS 11.A NZ ASP 158.A OD1 no hydrogen 2.923 N/A GLN 12.A N SER 9.A OG no hydrogen 2.960 N/A GLN 12.A NE2 TYR 53.A OH no hydrogen 2.837 N/A THR 13.A N SER 9.A O no hydrogen 2.977 N/A THR 13.A OG1 LEU 10.A O no hydrogen 2.971 N/A GLN 14.A N LEU 10.A O no hydrogen 2.993 N/A ALA 15.A N LYS 11.A O no hydrogen 3.079 N/A ILE 16.A N GLN 12.A O no hydrogen 2.973 N/A GLU 17.A N THR 13.A O no hydrogen 3.141 N/A VAL 18.A N GLN 14.A O no hydrogen 3.189 N/A LEU 19.A N ALA 15.A O no hydrogen 3.137 N/A LYS 20.A N ILE 16.A O no hydrogen 2.943 N/A LYS 20.A NZ GLU 17.A OE1 no hydrogen 2.991 N/A LYS 20.A NZ GLU 17.A OE2 no hydrogen 3.394 N/A GLY 21.A N VAL 18.A O no hydrogen 3.154 N/A HIS 22.A N LEU 19.A O no hydrogen 2.944 N/A HIS 22.A NE2 GLU 109.A OE1 no hydrogen 2.617 N/A ILE 23.A N LEU 19.A O no hydrogen 3.034 N/A VAL 28.A N PRO 26.A O no hydrogen 2.847 N/A GLU 29.A N GLY 47.A O no hydrogen 2.806 N/A VAL 30.A N ARG 4.A O no hydrogen 2.943 N/A ALA 31.A N TYR 49.A O no hydrogen 2.850 N/A VAL 32.A N THR 6.A O no hydrogen 2.810 N/A THR 33.A N LEU 51.A O no hydrogen 2.975 N/A THR 33.A OG1 GLN 34.A O no hydrogen 3.219 N/A GLN 34.A NE2 ARG 54.A O no hydrogen 2.919 N/A SER 35.A N TYR 53.A O no hydrogen 2.796 N/A GLN 37.A N SER 35.A OG no hydrogen 3.138 N/A GLN 37.A NE2 GLU 79.A OE2 no hydrogen 2.701 N/A ILE 40.A N GLU 80.A O no hydrogen 3.269 N/A SER 41.A N THR 52.A O no hydrogen 2.917 N/A SER 41.A OG GLU 43.A OE2 no hydrogen 3.245 N/A SER 41.A OG ILE 78.A O no hydrogen 3.536 N/A ILE 42.A N ILE 78.A O no hydrogen 3.084 N/A GLU 43.A N GLN 50.A O no hydrogen 3.020 N/A GLU 45.A N HIS 48.A O no hydrogen 3.077 N/A GLU 46.A N ASP 74.A OD2 no hydrogen 2.703 N/A HIS 48.A N GLU 45.A O no hydrogen 3.005 N/A TYR 49.A N GLU 29.A O no hydrogen 2.768 N/A GLN 50.A N GLU 43.A O no hydrogen 2.633 N/A LEU 51.A N ALA 31.A O no hydrogen 2.734 N/A THR 52.A N SER 41.A O no hydrogen 2.710 N/A TYR 53.A N THR 33.A O no hydrogen 3.280 N/A ARG 54.A N SER 39.A O no hydrogen 2.939 N/A ARG 54.A NE ASP 36.A O no hydrogen 3.208 N/A ARG 54.A NE ASP 36.A OD1 no hydrogen 3.169 N/A ARG 54.A NH2 ASP 36.A O no hydrogen 2.765 N/A ARG 54.A NH2 GLN 81.A OE1 no hydrogen 3.304 N/A LYS 55.A N GLN 58.A OE1 no hydrogen 2.833 N/A LYS 55.A NZ GLU 85.A O no hydrogen 2.852 N/A GLN 58.A N LYS 55.A O no hydrogen 2.911 N/A GLN 58.A NE2 TYR 387.A OH no hydrogen 3.287 N/A LEU 59.A N PRO 56.A O no hydrogen 3.231 N/A TYR 60.A N HIS 57.A O no hydrogen 3.103 N/A ARG 61.A NE GLU 80.A OE1 no hydrogen 2.810 N/A ARG 61.A NH1 MET 114.A O no hydrogen 3.107 N/A ARG 61.A NH1 GLU 384.A OE2 no hydrogen 3.053 N/A ARG 61.A NH2 GLU 80.A OE1 no hydrogen 3.487 N/A ARG 61.A NH2 GLU 80.A OE2 no hydrogen 2.864 N/A ARG 61.A NH2 GLU 384.A OE1 no hydrogen 3.310 N/A ARG 61.A NH2 GLU 384.A OE2 no hydrogen 3.491 N/A ALA 62.A N GLN 58.A O no hydrogen 3.042 N/A LEU 63.A N LEU 59.A O no hydrogen 3.007 N/A SER 64.A N TYR 60.A O no hydrogen 3.231 N/A SER 64.A OG ASN 401.A OD1 no hydrogen 2.830 N/A LEU 65.A N ARG 61.A O no hydrogen 2.838 N/A LEU 66.A N ALA 62.A O no hydrogen 2.875 N/A VAL 67.A N LEU 63.A O no hydrogen 2.914 N/A THR 68.A N SER 64.A O no hydrogen 3.047 N/A THR 68.A OG1 SER 64.A O no hydrogen 2.707 N/A THR 68.A OG1 THR 400.A OG1 no hydrogen 2.774 N/A VAL 69.A N LEU 65.A O no hydrogen 3.024 N/A LEU 70.A N LEU 66.A O no hydrogen 3.152 N/A ALA 71.A N THR 68.A O no hydrogen 3.275 N/A GLU 72.A N VAL 69.A O no hydrogen 3.302 N/A ALA 73.A N VAL 69.A O no hydrogen 3.240 N/A VAL 76.A N GLY 44.A O no hydrogen 2.893 N/A ILE 78.A N ILE 42.A O no hydrogen 2.877 N/A GLU 80.A N ILE 40.A O no hydrogen 2.823 N/A GLN 81.A NE2 GLN 37.A O no hydrogen 3.202 N/A ALA 82.A N SER 39.A OG no hydrogen 2.780 N/A ALA 83.A N SER 386.A O no hydrogen 2.864 N/A TYR 84.A OH ASN 347.A OD1 no hydrogen 2.651 N/A ASP 86.A N LYS 356.A O no hydrogen 3.235 N/A LEU 87.A N SER 117.A OG no hydrogen 3.036 N/A ALA 88.A N VAL 358.A O no hydrogen 2.944 N/A TYR 89.A N THR 118.A O no hydrogen 3.271 N/A MET 90.A N VAL 360.A O no hydrogen 2.933 N/A VAL 91.A N GLU 120.A O no hydrogen 2.888 N/A ASP 92.A N GLY 362.A O no hydrogen 3.372 N/A CYS 93.A N TYR 122.A O no hydrogen 2.883 N/A CYS 93.A SG VAL 91.A O no hydrogen 4.030 N/A CYS 93.A SG TYR 142.A OH no hydrogen 3.307 N/A SER 94.A N ASP 92.A OD1 no hydrogen 2.918 N/A SER 94.A OG TYR 122.A O no hydrogen 2.851 N/A ARG 95.A NH1 ASP 92.A OD2 no hydrogen 2.822 N/A ASN 100.A N GLU 539.A O no hydrogen 2.878 N/A ASN 100.A ND2 LYS 538.A O no hydrogen 3.080 N/A ASN 100.A ND2 ASN 540.A O no hydrogen 3.172 N/A SER 103.A N ASN 100.A OD1 no hydrogen 2.810 N/A SER 103.A OG ASN 100.A OD1 no hydrogen 2.953 N/A SER 103.A OG LYS 538.A O no hydrogen 3.036 N/A SER 103.A OG GLU 539.A O no hydrogen 3.419 N/A ALA 104.A N ASN 100.A O no hydrogen 2.967 N/A LYS 105.A N VAL 101.A O no hydrogen 3.057 N/A LYS 105.A NZ GLU 149.A OE2 no hydrogen 2.731 N/A GLN 106.A N ALA 102.A O no hydrogen 3.118 N/A MET 107.A N SER 103.A O no hydrogen 2.797 N/A ILE 108.A N ALA 104.A O no hydrogen 2.945 N/A GLU 109.A N LYS 105.A O no hydrogen 3.056 N/A ILE 110.A N GLN 106.A O no hydrogen 3.127 N/A LEU 111.A N MET 107.A O no hydrogen 2.856 N/A ALA 112.A N ILE 108.A O no hydrogen 2.919 N/A LEU 113.A N GLU 109.A O no hydrogen 3.071 N/A MET 114.A N ILE 110.A O no hydrogen 2.965 N/A GLY 115.A N LEU 111.A O no hydrogen 2.909 N/A GLY 115.A N ALA 112.A O no hydrogen 3.202 N/A TYR 116.A N LEU 111.A O no hydrogen 2.985 N/A TYR 116.A OH LEU 379.A O no hydrogen 2.691 N/A SER 117.A N LEU 87.A O no hydrogen 2.868 N/A SER 117.A OG ASP 86.A OD1 no hydrogen 2.735 N/A SER 117.A OG LEU 87.A O no hydrogen 3.177 N/A SER 117.A OG THR 118.A OG1 no hydrogen 3.018 N/A THR 118.A N LEU 87.A O no hydrogen 3.250 N/A THR 118.A OG1 ASP 86.A OD1 no hydrogen 3.388 N/A THR 118.A OG1 SER 117.A OG no hydrogen 3.018 N/A THR 118.A OG1 THR 160.A OG1 no hydrogen 2.777 N/A PHE 119.A N THR 160.A O no hydrogen 2.792 N/A GLU 120.A N TYR 89.A O no hydrogen 2.783 N/A TYR 122.A N VAL 91.A O no hydrogen 2.843 N/A TYR 122.A OH GLU 124.A OE2 no hydrogen 2.601 N/A MET 123.A N CYS 164.A O no hydrogen 2.751 N/A GLU 124.A N SER 94.A OG no hydrogen 2.707 N/A THR 126.A OG1 CYS 93.A O no hydrogen 2.995 N/A GLN 128.A N TYR 142.A O no hydrogen 2.841 N/A GLN 132.A N ILE 129.A O no hydrogen 3.108 N/A PHE 135.A N GLN 132.A O no hydrogen 3.068 N/A TYR 137.A N TYR 134.A O no hydrogen 3.250 N/A ARG 139.A N GLY 136.A O no hydrogen 2.999 N/A ARG 139.A NE ASP 125.A OD2 no hydrogen 2.786 N/A ARG 139.A NH2 SER 94.A O no hydrogen 2.833 N/A ARG 139.A NH2 ASP 125.A OD1 no hydrogen 2.880 N/A TYR 142.A N THR 126.A O no hydrogen 2.874 N/A TYR 142.A OH LEU 99.A O no hydrogen 2.683 N/A SER 143.A N GLU 146.A OE1 no hydrogen 3.160 N/A GLU 146.A N SER 143.A OG no hydrogen 2.941 N/A LEU 147.A N SER 143.A O no hydrogen 2.931 N/A GLN 148.A N ALA 144.A O no hydrogen 2.831 N/A GLN 148.A NE2 LYS 212.A O no hydrogen 3.055 N/A GLU 149.A N GLU 145.A O no hydrogen 2.880 N/A ILE 150.A N GLU 146.A O no hydrogen 2.936 N/A GLU 151.A N LEU 147.A O no hydrogen 2.939 N/A ALA 152.A N GLN 148.A O no hydrogen 2.920 N/A TYR 153.A N GLU 149.A O no hydrogen 3.036 N/A TYR 153.A OH GLU 109.A OE2 no hydrogen 2.458 N/A ALA 154.A N ILE 150.A O no hydrogen 3.011 N/A GLN 155.A N GLU 151.A O no hydrogen 2.921 N/A GLN 156.A N ALA 152.A O no hydrogen 3.156 N/A GLN 156.A N TYR 153.A O no hydrogen 3.022 N/A PHE 157.A N ALA 154.A O no hydrogen 2.916 N/A ASP 158.A N GLN 155.A O no hydrogen 2.908 N/A VAL 159.A N ALA 154.A O no hydrogen 3.037 N/A THR 160.A N SER 117.A O no hydrogen 2.857 N/A THR 160.A OG1 SER 117.A O no hydrogen 3.075 N/A VAL 162.A N PHE 119.A O no hydrogen 2.999 N/A CYS 164.A N LEU 121.A O no hydrogen 2.912 N/A CYS 164.A SG GLU 120.A OE1 no hydrogen 3.107 N/A ILE 165.A N ASN 219.A O no hydrogen 2.791 N/A GLN 166.A NE2 TYR 122.A OH no hydrogen 2.954 N/A THR 167.A N ILE 220.A O no hydrogen 3.170 N/A THR 167.A OG1 ILE 220.A O no hydrogen 2.914 N/A HIS 170.A N ASP 190.A OD2 no hydrogen 2.913 N/A LEU 171.A N ASP 190.A O no hydrogen 3.358 N/A PHE 174.A N LEU 171.A O no hydrogen 3.030 N/A VAL 175.A N LEU 171.A O no hydrogen 3.004 N/A LYS 176.A NZ ALA 173.A O no hydrogen 2.826 N/A TRP 177.A N PHE 174.A O no hydrogen 3.286 N/A VAL 179.A N TRP 177.A O no hydrogen 2.865 N/A VAL 182.A N VAL 179.A O no hydrogen 3.050 N/A GLN 183.A N VAL 179.A O no hydrogen 2.818 N/A GLN 183.A NE2 VAL 175.A O no hydrogen 2.924 N/A GLN 183.A NE2 TRP 177.A O no hydrogen 2.738 N/A GLU 184.A N LYS 180.A O no hydrogen 2.891 N/A LEU 185.A N VAL 182.A O no hydrogen 2.970 N/A ARG 186.A N GLN 183.A O no hydrogen 3.188 N/A ARG 186.A NH1 GLN 183.A OE1 no hydrogen 2.993 N/A ARG 186.A NH2 GLU 189.A O no hydrogen 2.842 N/A ASP 187.A N ILE 191.A O no hydrogen 2.851 N/A ILE 191.A N VAL 188.A O no hydrogen 2.956 N/A LEU 192.A N LEU 168.A O no hydrogen 2.759 N/A LEU 193.A N LEU 185.A O no hydrogen 2.789 N/A GLY 195.A N TYR 200.A OH no hydrogen 3.143 N/A GLU 196.A N LEU 193.A O no hydrogen 3.299 N/A LYS 198.A N GLU 196.A OE2 no hydrogen 3.057 N/A VAL 199.A N GLU 196.A O no hydrogen 2.891 N/A TYR 200.A N GLU 196.A O no hydrogen 3.381 N/A TYR 200.A OH HIS 249.A ND1 no hydrogen 2.784 N/A ASP 201.A N GLU 197.A O no hydrogen 2.847 N/A LEU 202.A N LYS 198.A O no hydrogen 3.061 N/A ILE 203.A N VAL 199.A O no hydrogen 2.958 N/A ASP 204.A N TYR 200.A O no hydrogen 2.849 N/A GLY 205.A N ASP 201.A O no hydrogen 3.048 N/A MET 206.A N LEU 202.A O no hydrogen 2.893 N/A PHE 207.A N ILE 203.A O no hydrogen 3.190 N/A ALA 208.A N ASP 204.A O no hydrogen 2.792 N/A THR 209.A N GLY 205.A O no hydrogen 3.002 N/A THR 209.A OG1 GLN 128.A O no hydrogen 2.696 N/A THR 209.A OG1 GLY 205.A O no hydrogen 3.440 N/A LEU 210.A N MET 206.A O no hydrogen 2.953 N/A SER 211.A N PHE 207.A O no hydrogen 2.712 N/A SER 211.A OG PHE 207.A O no hydrogen 3.298 N/A SER 211.A OG ALA 208.A O no hydrogen 2.782 N/A LYS 212.A N THR 209.A O no hydrogen 3.139 N/A LEU 213.A N LEU 210.A O no hydrogen 2.896 N/A LYS 214.A N GLU 151.A OE1 no hydrogen 2.790 N/A THR 215.A N GLU 151.A OE2 no hydrogen 2.768 N/A THR 215.A OG1 PHE 161.A O no hydrogen 2.763 N/A THR 215.A OG1 LYS 217.A O no hydrogen 3.449 N/A ARG 216.A NH1 SER 211.A O no hydrogen 3.359 N/A ARG 216.A NH1 LEU 213.A O no hydrogen 2.671 N/A ARG 216.A NH1 THR 215.A O no hydrogen 2.960 N/A ARG 216.A NH2 SER 211.A O no hydrogen 2.854 N/A LYS 217.A N THR 215.A OG1 no hydrogen 3.198 N/A LYS 217.A NZ GLU 357.A OE1 no hydrogen 3.284 N/A LYS 217.A NZ GLU 357.A OE2 no hydrogen 3.235 N/A VAL 218.A N HIS 263.A O no hydrogen 3.214 N/A ASN 219.A N PRO 163.A O no hydrogen 2.964 N/A ILE 220.A N GLN 265.A O no hydrogen 2.864 N/A GLY 221.A N ASN 219.A OD1 no hydrogen 2.817 N/A VAL 228.A N ALA 225.A O no hydrogen 3.184 N/A GLY 229.A N ASP 187.A OD2 no hydrogen 2.850 N/A LEU 230.A N LEU 227.A O no hydrogen 2.996 N/A GLY 231.A N ASP 187.A OD1 no hydrogen 2.969 N/A ARG 232.A N ASP 187.A O no hydrogen 2.814 N/A TYR 233.A N ASP 187.A OD1 no hydrogen 2.865 N/A ILE 235.A N GLY 231.A O no hydrogen 3.167 N/A LEU 236.A N ARG 232.A O no hydrogen 2.895 N/A ASN 237.A N TYR 233.A O no hydrogen 2.819 N/A GLY 238.A N LEU 234.A O no hydrogen 2.788 N/A LEU 244.A N ASP 241.A OD2 no hydrogen 3.364 N/A LEU 245.A N ASP 241.A O no hydrogen 2.984 N/A MET 246.A N ARG 242.A O no hydrogen 2.881 N/A CYS 247.A N SER 243.A O no hydrogen 3.027 N/A CYS 247.A SG SER 243.A O no hydrogen 3.397 N/A GLN 248.A N LEU 244.A O no hydrogen 2.963 N/A HIS 249.A N LEU 245.A O no hydrogen 3.114 N/A HIS 249.A ND1 TYR 200.A OH no hydrogen 2.784 N/A HIS 249.A NE2 THR 167.A O no hydrogen 2.759 N/A LEU 250.A N MET 246.A O no hydrogen 2.841 N/A GLU 251.A N CYS 247.A O no hydrogen 2.895 N/A ARG 252.A N GLN 248.A O no hydrogen 3.204 N/A ARG 252.A NH1 GLU 197.A OE2 no hydrogen 2.858 N/A ARG 252.A NH2 GLU 197.A OE1 no hydrogen 3.000 N/A VAL 253.A N HIS 249.A O no hydrogen 2.929 N/A LEU 254.A N LEU 250.A O no hydrogen 2.863 N/A ASP 255.A N GLU 251.A O no hydrogen 2.919 N/A ILE 256.A N ARG 252.A O no hydrogen 3.088 N/A ALA 257.A N VAL 253.A O no hydrogen 2.960 N/A ASP 258.A N LEU 254.A O no hydrogen 2.742 N/A LYS 259.A N ASP 255.A O no hydrogen 3.141 N/A LYS 259.A NZ ASP 204.A OD1 no hydrogen 3.552 N/A LYS 259.A NZ ASP 204.A OD2 no hydrogen 2.679 N/A TYR 260.A N ILE 256.A O no hydrogen 3.220 N/A TYR 260.A N ALA 257.A O no hydrogen 3.101 N/A TYR 260.A OH ASP 204.A OD1 no hydrogen 2.527 N/A GLY 261.A N ASP 258.A O no hydrogen 3.072 N/A PHE 262.A N ALA 257.A O no hydrogen 2.869 N/A HIS 263.A N ARG 216.A O no hydrogen 2.802 N/A HIS 263.A NE2 THR 292.A OG1 no hydrogen 3.044 N/A GLN 265.A N VAL 218.A O no hydrogen 2.812 N/A GLN 265.A NE2 GLU 357.A OE2 no hydrogen 3.086 N/A MET 266.A N THR 292.A O no hydrogen 2.977 N/A TRP 267.A N GLY 221.A O no hydrogen 3.037 N/A SER 268.A N VAL 294.A O no hydrogen 3.064 N/A SER 268.A OG HIS 313.A NE2 no hydrogen 2.735 N/A PHE 271.A N SER 268.A O no hydrogen 2.865 N/A PHE 272.A N ASP 269.A O no hydrogen 3.151 N/A MET 274.A N PHE 271.A O no hydrogen 2.948 N/A SER 275.A N PHE 272.A O no hydrogen 3.063 N/A SER 275.A OG ASN 312.A O no hydrogen 3.549 N/A ARG 281.A N PRO 277.A O no hydrogen 3.025 N/A VAL 282.A N GLU 278.A O no hydrogen 2.842 N/A TYR 283.A N GLU 279.A O no hydrogen 3.095 N/A TYR 283.A OH GLU 251.A OE1 no hydrogen 2.548 N/A LEU 284.A N THR 280.A O no hydrogen 2.939 N/A ASP 285.A N ARG 281.A O no hydrogen 2.984 N/A ARG 286.A N VAL 282.A O no hydrogen 2.978 N/A ARG 286.A NH1.A GLU 251.A OE2 no hydrogen 3.062 N/A ARG 286.A NH2.A GLU 251.A OE1 no hydrogen 2.908 N/A ARG 286.A NH2.A GLU 251.A OE2 no hydrogen 3.413 N/A LEU 287.A N TYR 283.A O no hydrogen 3.091 N/A LYS 288.A N LEU 284.A O no hydrogen 2.845 N/A ASP 289.A N ARG 286.A O no hydrogen 3.252 N/A ARG 290.A N LEU 287.A O no hydrogen 2.861 N/A ARG 290.A NH2 ASP 255.A OD1 no hydrogen 2.941 N/A ARG 290.A NH2 ASP 258.A OD2 no hydrogen 2.699 N/A VAL 291.A N LYS 288.A O no hydrogen 3.485 N/A THR 292.A N CYS 264.A O no hydrogen 2.863 N/A THR 292.A OG1 HIS 263.A NE2 no hydrogen 3.044 N/A LEU 293.A N ASP 319.A O no hydrogen 2.875 N/A VAL 294.A N MET 266.A O no hydrogen 2.845 N/A TYR 295.A N ALA 321.A O no hydrogen 2.936 N/A TYR 295.A OH ASP 297.A OD2 no hydrogen 2.830 N/A TRP 296.A NE1 ASP 269.A OD1 no hydrogen 2.922 N/A ASP 297.A N ALA 323.A O no hydrogen 2.972 N/A TYR 299.A N ASP 297.A OD1 no hydrogen 3.090 N/A GLN 300.A NE2 ASP 297.A OD1 no hydrogen 3.406 N/A GLN 300.A NE2 ASP 297.A OD2 no hydrogen 3.511 N/A GLU 303.A N GLU 345.A OE1 no hydrogen 2.921 N/A LYS 305.A N SER 302.A O no hydrogen 3.178 N/A LYS 305.A NZ ASP 301.A OD1 no hydrogen 2.876 N/A TYR 306.A OH GLN 300.A O no hydrogen 2.730 N/A ASN 307.A N GLU 303.A O no hydrogen 2.858 N/A ASN 307.A ND2 GLU 303.A OE2 no hydrogen 3.119 N/A ARG 308.A N GLU 304.A O no hydrogen 3.067 N/A PHE 310.A N TYR 306.A O no hydrogen 2.948 N/A ARG 311.A N ASN 307.A O no hydrogen 2.858 N/A ARG 311.A NH1 GLU 304.A OE2 no hydrogen 3.243 N/A ARG 311.A NH2 GLU 304.A OE2 no hydrogen 3.362 N/A ASN 312.A N ARG 308.A O no hydrogen 3.137 N/A HIS 313.A N ASN 309.A O no hydrogen 2.936 N/A HIS 313.A ND1 ASN 309.A O no hydrogen 2.780 N/A HIS 313.A NE2 SER 268.A OG no hydrogen 2.735 N/A HIS 314.A N PHE 310.A O no hydrogen 2.927 N/A LYS 315.A N ARG 311.A O no hydrogen 3.189 N/A ILE 316.A N HIS 313.A O no hydrogen 2.922 N/A SER 317.A N HIS 313.A O no hydrogen 2.895 N/A ASP 319.A N SER 317.A OG no hydrogen 3.058 N/A ALA 321.A N LEU 293.A O no hydrogen 2.817 N/A PHE 322.A N GLU 357.A O no hydrogen 2.986 N/A ALA 323.A N TYR 295.A O no hydrogen 2.915 N/A GLY 324.A N ILE 359.A O no hydrogen 2.893 N/A ALA 326.A N THR 361.A O no hydrogen 2.865 N/A TRP 327.A N SER 339.A OG no hydrogen 2.904 N/A TRP 327.A NE1 TYR 298.A O no hydrogen 2.897 N/A LYS 328.A NZ LYS 328.A O no hydrogen 3.515 N/A LYS 328.A NZ GLY 362.A O no hydrogen 2.962 N/A LYS 328.A NZ TRP 363.A O no hydrogen 2.948 N/A PHE 332.A N ASN 431.A OD1 no hydrogen 2.773 N/A HIS 335.A N TRP 327.A O no hydrogen 2.859 N/A ASN 336.A N ASP 413.A OD1 no hydrogen 2.886 N/A ASN 336.A ND2 SER 374.A O no hydrogen 3.115 N/A ASN 336.A ND2 ASP 413.A OD1 no hydrogen 2.900 N/A HIS 337.A N ASP 413.A OD2 no hydrogen 2.813 N/A HIS 337.A ND1 ASP 413.A OD2 no hydrogen 2.696 N/A PHE 338.A N HIS 335.A ND1 no hydrogen 3.026 N/A SER 339.A N HIS 335.A O no hydrogen 3.068 N/A SER 339.A OG HIS 335.A O no hydrogen 2.861 N/A ARG 340.A N ASN 336.A O no hydrogen 2.824 N/A LEU 341.A N HIS 337.A O no hydrogen 3.177 N/A VAL 342.A N PHE 338.A O no hydrogen 3.062 N/A ALA 343.A N SER 339.A O no hydrogen 2.941 N/A ILE 344.A N ARG 340.A O no hydrogen 3.058 N/A ALA 346.A N VAL 342.A O no hydrogen 2.855 N/A ASN 347.A N ALA 343.A O no hydrogen 2.878 N/A ASN 347.A ND2 ASN 389.A OD1 no hydrogen 2.899 N/A LYS 348.A N ILE 344.A O no hydrogen 3.377 N/A LYS 348.A NZ GLU 345.A OE2 no hydrogen 3.311 N/A ALA 349.A N GLU 345.A O no hydrogen 3.178 N/A CYS 350.A N ALA 346.A O no hydrogen 2.827 N/A CYS 350.A SG ALA 346.A O no hydrogen 3.515 N/A ARG 351.A N ASN 347.A O no hydrogen 3.038 N/A ARG 351.A NE ASN 347.A OD1 no hydrogen 2.940 N/A ARG 351.A NH2 LEU 385.A O no hydrogen 2.712 N/A ALA 352.A N LYS 348.A O no hydrogen 3.083 N/A ASN 353.A N ALA 349.A O no hydrogen 3.044 N/A ASN 353.A N CYS 350.A O no hydrogen 3.274 N/A GLN 354.A N ARG 351.A O no hydrogen 3.068 N/A ILE 355.A N CYS 350.A O no hydrogen 2.928 N/A VAL 358.A N ASP 86.A O no hydrogen 3.037 N/A ILE 359.A N PHE 322.A O no hydrogen 2.839 N/A VAL 360.A N ALA 88.A O no hydrogen 2.830 N/A THR 361.A N GLY 324.A O no hydrogen 2.884 N/A THR 361.A OG1 GLY 324.A O no hydrogen 2.791 N/A GLY 362.A N MET 90.A O no hydrogen 2.806 N/A TRP 363.A NE1 TYR 298.A OH no hydrogen 2.949 N/A GLY 364.A N ASP 92.A OD2 no hydrogen 2.751 N/A GLY 368.A N GLY 364.A O no hydrogen 2.815 N/A THR 370.A OG1 GLY 331.A O no hydrogen 2.555 N/A GLN 372.A N GLU 539.A OE1 no hydrogen 2.784 N/A GLN 372.A NE2 ASN 540.A OD1 no hydrogen 2.845 N/A PHE 373.A N GLU 539.A OE2 no hydrogen 3.136 N/A SER 374.A N ALA 371.A O no hydrogen 3.198 N/A SER 374.A OG ALA 371.A O no hydrogen 2.689 N/A SER 378.A N ASN 336.A OD1 no hydrogen 3.271 N/A SER 378.A OG ASN 336.A OD1 no hydrogen 2.696 N/A LEU 379.A N ILE 375.A O no hydrogen 3.191 N/A GLN 380.A N LEU 376.A O no hydrogen 2.985 N/A GLN 380.A NE2 GLU 384.A OE2 no hydrogen 2.983 N/A ILE 381.A N PRO 377.A O no hydrogen 2.783 N/A TRP 382.A N SER 378.A O no hydrogen 3.199 N/A ALA 383.A N LEU 379.A O no hydrogen 3.103 N/A GLU 384.A N GLN 380.A O no hydrogen 2.837 N/A LEU 385.A N ILE 381.A O no hydrogen 2.904 N/A SER 386.A N TRP 382.A O no hydrogen 2.901 N/A TYR 387.A N ALA 383.A O no hydrogen 2.996 N/A TYR 387.A OH GLY 115.A O no hydrogen 2.773 N/A ARG 388.A N GLU 384.A O no hydrogen 2.822 N/A ARG 388.A NE ASP 390.A OD1 no hydrogen 3.217 N/A ARG 388.A NH2 ASP 390.A OD1 no hydrogen 3.095 N/A ASN 389.A N GLU 384.A O no hydrogen 3.203 N/A ASN 389.A N LEU 385.A O no hydrogen 3.080 N/A ASP 392.A N ASP 390.A OD1 no hydrogen 2.883 N/A LEU 394.A N LEU 391.A O no hydrogen 3.115 N/A SER 395.A OG GLU 407.A OE1 no hydrogen 2.622 N/A HIS 397.A N GLY 393.A O no hydrogen 2.975 N/A HIS 397.A ND1 GLU 384.A OE1 no hydrogen 3.075 N/A HIS 397.A ND1 GLU 384.A OE2 no hydrogen 3.057 N/A PHE 398.A N LEU 394.A O no hydrogen 2.844 N/A LYS 399.A N SER 395.A O no hydrogen 2.895 N/A THR 400.A N ALA 396.A O no hydrogen 3.099 N/A THR 400.A OG1 THR 68.A OG1 no hydrogen 2.774 N/A THR 400.A OG1 ALA 396.A O no hydrogen 3.246 N/A ASN 401.A N HIS 397.A O no hydrogen 3.114 N/A ASN 401.A ND2 GLN 380.A OE1 no hydrogen 2.953 N/A THR 402.A N PHE 398.A O no hydrogen 2.854 N/A THR 402.A OG1 PHE 398.A O no hydrogen 2.927 N/A GLY 403.A N LYS 399.A O no hydrogen 2.700 N/A LEU 404.A N THR 402.A OG1 no hydrogen 3.087 N/A VAL 406.A N SER 395.A OG no hydrogen 3.408 N/A ASP 408.A N THR 405.A OG1 no hydrogen 3.050 N/A PHE 409.A N THR 405.A O no hydrogen 2.992 N/A MET 410.A N VAL 406.A O no hydrogen 2.851 N/A GLN 411.A N ASP 408.A O no hydrogen 3.116 N/A ILE 412.A N PHE 409.A O no hydrogen 2.861 N/A ASP 413.A N MET 410.A O no hydrogen 3.078 N/A LEU 414.A N GLN 411.A O no hydrogen 2.966 N/A ASN 416.A N ASP 413.A O no hydrogen 2.867 N/A ASN 416.A ND2 THR 333.A O no hydrogen 3.028 N/A ASN 416.A ND2 PRO 334.A O no hydrogen 2.987 N/A LEU 417.A N LEU 414.A O no hydrogen 2.942 N/A LEU 421.A N LEU 418.A O no hydrogen 3.261 N/A ASN 424.A ND2 ASP 301.A OD2 no hydrogen 3.099 N/A ASN 429.A N THR 599.A O no hydrogen 3.351 N/A ASN 429.A ND2 ILE 330.A O no hydrogen 3.265 N/A ASN 429.A ND2 ALA 601.A O no hydrogen 2.955 N/A ASN 431.A ND2 ILE 330.A O no hydrogen 3.041 N/A ASN 431.A ND2 ASN 416.A OD1 no hydrogen 2.777 N/A ARG 432.A N ASN 429.A O no hydrogen 2.971 N/A ARG 432.A NE GLU 369.A OE1 no hydrogen 3.194 N/A ARG 432.A NH1 ASN 366.A OD1 no hydrogen 2.832 N/A ARG 432.A NH1 ASN 602.A OD1 no hydrogen 2.898 N/A ARG 432.A NH2 ASN 366.A OD1 no hydrogen 2.835 N/A ARG 432.A NH2 GLU 369.A OE1 no hydrogen 2.932 N/A TYR 433.A N ASN 429.A O no hydrogen 3.432 N/A VAL 434.A N PRO 430.A O no hydrogen 3.024 N/A TYR 436.A N ARG 432.A O no hydrogen 3.004 N/A TYR 436.A OH GLU 369.A OE2 no hydrogen 2.649 N/A GLN 437.A N TYR 433.A O no hydrogen 3.162 N/A CYS 441.A N ASP 438.A OD2 no hydrogen 2.844 N/A LEU 444.A N GLN 437.A OE1 no hydrogen 2.705 N/A ASP 445.A N PRO 442.A O no hydrogen 3.010 N/A GLN 446.A NE2 ILE 584.A O no hydrogen 2.782 N/A HIS 447.A N LEU 444.A O no hydrogen 2.991 N/A HIS 447.A ND1 ALA 597.A O no hydrogen 2.824 N/A MET 448.A N ASP 445.A O no hydrogen 3.221 N/A THR 449.A N ASP 453.A OD2 no hydrogen 2.862 N/A GLN 452.A N THR 449.A O no hydrogen 2.986 N/A GLN 452.A NE2 ASP 420.A OD1 no hydrogen 2.820 N/A GLN 452.A NE2 ASP 453.A OD1 no hydrogen 2.828 N/A ASP 453.A N THR 449.A O no hydrogen 2.838 N/A LYS 454.A N PRO 450.A O no hydrogen 3.020 N/A LYS 454.A NZ SER 489.A O no hydrogen 2.835 N/A LYS 454.A NZ ASP 493.A OD1 no hydrogen 2.814 N/A HIS 456.A N GLN 452.A O no hydrogen 3.330 N/A HIS 456.A NE2 LEU 414.A O no hydrogen 2.782 N/A PHE 457.A N ASP 453.A O no hydrogen 3.027 N/A ALA 458.A N LYS 454.A O no hydrogen 2.976 N/A GLN 459.A N PRO 455.A O no hydrogen 2.845 N/A GLN 459.A NE2 GLN 459.A O no hydrogen 2.782 N/A GLN 459.A NE2 THR 463.A OG1 no hydrogen 3.004 N/A ALA 460.A N HIS 456.A O no hydrogen 2.975 N/A ALA 461.A N PHE 457.A O no hydrogen 3.068 N/A GLU 462.A N ALA 458.A O no hydrogen 3.443 N/A THR 463.A N GLN 459.A O no hydrogen 2.930 N/A THR 463.A OG1 GLN 459.A O no hydrogen 3.065 N/A LEU 464.A N ALA 460.A O no hydrogen 2.859 N/A ALA 465.A N ALA 461.A O no hydrogen 3.107 N/A ASN 466.A N GLU 462.A O no hydrogen 3.138 N/A ILE 467.A N THR 463.A O no hydrogen 3.032 N/A LYS 468.A N LEU 464.A O no hydrogen 2.901 N/A GLU 469.A N ASN 466.A O no hydrogen 3.216 N/A LYS 470.A N ILE 467.A O no hydrogen 2.891 N/A LYS 470.A NZ ASP 408.A OD2 no hydrogen 2.811 N/A ALA 471.A N LYS 468.A O no hydrogen 3.204 N/A TYR 474.A N ALA 471.A O no hydrogen 2.911 N/A ALA 475.A N GLY 472.A O no hydrogen 3.122 N/A TYR 476.A OH GLU 539.A OE2 no hydrogen 2.656 N/A LEU 477.A N TYR 474.A O no hydrogen 3.087 N/A PHE 478.A N ALA 475.A O no hydrogen 2.912 N/A GLU 479.A N ALA 475.A O no hydrogen 2.956 N/A THR 480.A N TYR 476.A O no hydrogen 3.021 N/A THR 480.A OG1 TYR 476.A O no hydrogen 3.003 N/A GLN 481.A N LEU 477.A O no hydrogen 3.298 N/A GLN 481.A NE2 THR 333.A OG1 no hydrogen 2.761 N/A ALA 482.A N PHE 478.A O no hydrogen 2.822 N/A GLN 483.A N GLU 479.A O no hydrogen 3.133 N/A GLN 483.A NE2 GLN 524.A O no hydrogen 2.959 N/A LEU 484.A N THR 480.A O no hydrogen 2.978 N/A ASN 485.A N GLN 481.A O no hydrogen 3.033 N/A ASN 485.A ND2 GLN 481.A O no hydrogen 2.896 N/A ALA 486.A N ALA 482.A O no hydrogen 3.039 N/A ILE 487.A N GLN 483.A O no hydrogen 3.063 N/A LEU 488.A N LEU 484.A O no hydrogen 2.977 N/A SER 489.A N ASN 485.A O no hydrogen 3.046 N/A SER 489.A OG ALA 486.A O no hydrogen 2.925 N/A SER 490.A OG ILE 487.A O no hydrogen 3.381 N/A LYS 491.A N ILE 487.A O no hydrogen 2.880 N/A LYS 491.A NZ VAL 434.A O no hydrogen 2.848 N/A LYS 491.A NZ PHE 435.A O no hydrogen 3.016 N/A LYS 491.A NZ GLN 437.A O no hydrogen 2.724 N/A VAL 492.A N LEU 488.A O no hydrogen 2.951 N/A ARG 496.A NE ASP 445.A OD2 no hydrogen 2.874 N/A ARG 496.A NH2 ASP 445.A O no hydrogen 2.809 N/A ARG 496.A NH2 ASP 445.A OD2 no hydrogen 3.465 N/A ARG 496.A NH2 MET 448.A O no hydrogen 3.106 N/A ARG 497.A N ASP 493.A O no hydrogen 2.815 N/A ARG 497.A NE ASP 493.A OD1 no hydrogen 2.928 N/A ARG 497.A NE ASP 493.A OD2 no hydrogen 3.273 N/A ARG 497.A NH1 GLU 517.A OE1 no hydrogen 2.820 N/A ARG 497.A NH1 GLU 517.A OE2 no hydrogen 3.496 N/A ARG 497.A NH2 SER 490.A O no hydrogen 3.291 N/A ARG 497.A NH2 ASP 493.A OD1 no hydrogen 3.044 N/A ARG 497.A NH2 GLU 517.A OE2 no hydrogen 2.783 N/A ILE 498.A N VAL 494.A O no hydrogen 2.935 N/A ARG 499.A N GLY 495.A O no hydrogen 3.162 N/A ARG 499.A NH1 VAL 582.A O no hydrogen 2.743 N/A ARG 499.A NH2 LEU 440.A O no hydrogen 2.764 N/A ARG 499.A NH2 GLU 579.A O no hydrogen 2.888 N/A GLN 500.A N ARG 496.A O no hydrogen 2.841 N/A ALA 501.A N ARG 497.A O no hydrogen 2.909 N/A TYR 502.A N ILE 498.A O no hydrogen 2.860 N/A TYR 502.A OH GLU 581.A OE2 no hydrogen 2.661 N/A GLN 503.A N ARG 499.A O no hydrogen 2.886 N/A ALA 504.A N GLN 500.A O no hydrogen 3.018 N/A ASP 505.A N TYR 502.A O no hydrogen 3.176 N/A ASP 506.A N ALA 501.A O no hydrogen 2.823 N/A LYS 507.A NZ ASP 505.A OD1 no hydrogen 2.771 N/A SER 509.A N ASP 506.A OD1 no hydrogen 3.091 N/A SER 509.A OG ASP 506.A OD1 no hydrogen 3.225 N/A SER 509.A OG ASP 506.A OD2 no hydrogen 2.535 N/A LEU 510.A N ASP 506.A O no hydrogen 3.179 N/A GLN 511.A N LYS 507.A O no hydrogen 2.877 N/A GLN 512.A N GLU 508.A O no hydrogen 3.028 N/A ILE 513.A N SER 509.A O no hydrogen 2.854 N/A ALA 514.A N LEU 510.A O no hydrogen 2.873 N/A ARG 515.A N GLN 511.A O no hydrogen 2.856 N/A GLN 516.A N GLN 512.A O no hydrogen 2.819 N/A GLU 517.A N GLN 512.A O no hydrogen 3.002 N/A LEU 518.A N ILE 513.A O no hydrogen 2.882 N/A GLU 520.A N GLN 516.A O no hydrogen 3.156 N/A LEU 521.A N GLU 517.A O no hydrogen 2.801 N/A ARG 522.A N LEU 518.A O no hydrogen 2.958 N/A ARG 522.A NE GLU 563.A OE2 no hydrogen 2.732 N/A ARG 522.A NH2 GLU 563.A OE1 no hydrogen 3.057 N/A ARG 522.A NH2 GLU 563.A OE2 no hydrogen 3.428 N/A SER 523.A N PRO 519.A O no hydrogen 3.079 N/A GLN 524.A N GLU 520.A O no hydrogen 2.921 N/A ILE 525.A N LEU 521.A O no hydrogen 2.908 N/A GLU 526.A N ARG 522.A O no hydrogen 2.886 N/A ASP 527.A N SER 523.A O no hydrogen 3.049 N/A PHE 528.A N GLN 524.A O no hydrogen 2.844 N/A HIS 529.A N ILE 525.A O no hydrogen 2.786 N/A HIS 529.A NE2 ASP 549.A OD1 no hydrogen 2.743 N/A ALA 530.A N GLU 526.A O no hydrogen 2.965 N/A LEU 531.A N ASP 527.A O no hydrogen 3.057 N/A PHE 532.A N PHE 528.A O no hydrogen 2.710 N/A SER 533.A N HIS 529.A O no hydrogen 2.911 N/A SER 533.A OG HIS 529.A O no hydrogen 2.715 N/A HIS 534.A N ALA 530.A O no hydrogen 3.001 N/A GLN 535.A N LEU 531.A O no hydrogen 2.892 N/A TRP 536.A N PHE 532.A O no hydrogen 2.746 N/A TRP 536.A NE1 LYS 541.A O no hydrogen 2.841 N/A LEU 537.A N SER 533.A O no hydrogen 2.845 N/A LYS 538.A N HIS 534.A O no hydrogen 3.030 N/A GLU 539.A N GLN 535.A O no hydrogen 3.227 N/A GLU 539.A N TRP 536.A O no hydrogen 3.194 N/A ASN 540.A N TRP 536.A O no hydrogen 2.797 N/A LYS 541.A N VAL 98.A O no hydrogen 2.826 N/A LYS 541.A NZ GLY 140.A O no hydrogen 2.931 N/A LYS 541.A NZ GLU 146.A OE1 no hydrogen 2.894 N/A LYS 541.A NZ GLU 146.A OE2 no hydrogen 3.505 N/A LEU 545.A N VAL 542.A O no hydrogen 3.136 N/A THR 547.A N GLY 544.A O no hydrogen 3.250 N/A ASP 549.A N LEU 545.A O no hydrogen 2.936 N/A ILE 550.A N ASP 546.A O no hydrogen 3.007 N/A ARG 551.A N THR 547.A O no hydrogen 3.007 N/A ARG 551.A NH1 ASN 366.A O no hydrogen 2.831 N/A ARG 551.A NH1 GLU 369.A OE2 no hydrogen 3.164 N/A ARG 551.A NH2 ASN 366.A O no hydrogen 3.334 N/A MET 552.A N VAL 548.A O no hydrogen 2.877 N/A GLY 553.A N ASP 549.A O no hydrogen 2.911 N/A GLY 554.A N ILE 550.A O no hydrogen 2.871 N/A LEU 555.A N ARG 551.A O no hydrogen 2.995 N/A LEU 556.A N MET 552.A O no hydrogen 2.999 N/A GLN 557.A N GLY 553.A O no hydrogen 3.051 N/A ARG 558.A N GLY 554.A O no hydrogen 2.900 N/A ARG 558.A NE ASP 438.A OD1 no hydrogen 2.833 N/A ARG 558.A NH2 ASP 438.A OD1 no hydrogen 3.420 N/A ARG 558.A NH2 ASP 438.A OD2 no hydrogen 2.856 N/A ILE 559.A N LEU 555.A O no hydrogen 2.853 N/A LYS 560.A N LEU 556.A O no hydrogen 2.985 N/A ARG 561.A N GLN 557.A O no hydrogen 2.948 N/A ALA 562.A N ARG 558.A O no hydrogen 3.133 N/A GLU 563.A N ILE 559.A O no hydrogen 3.145 N/A SER 564.A N LYS 560.A O no hydrogen 2.907 N/A SER 564.A OG LYS 560.A O no hydrogen 3.423 N/A SER 564.A OG ARG 561.A O no hydrogen 3.304 N/A ARG 565.A N ARG 561.A O no hydrogen 2.917 N/A ARG 565.A NE GLU 579.A OE2 no hydrogen 2.978 N/A ARG 565.A NH2 GLU 579.A OE1 no hydrogen 2.719 N/A ILE 566.A N ALA 562.A O no hydrogen 3.003 N/A GLU 567.A N GLU 563.A O no hydrogen 3.017 N/A VAL 568.A N SER 564.A O no hydrogen 2.986 N/A TYR 569.A N ARG 565.A O no hydrogen 3.170 N/A LEU 570.A N ILE 566.A O no hydrogen 2.725 N/A ALA 571.A N GLU 567.A O no hydrogen 2.867 N/A GLY 572.A N TYR 569.A O no hydrogen 2.964 N/A GLN 573.A N VAL 568.A O no hydrogen 2.978 N/A ILE 577.A N TYR 502.A OH no hydrogen 3.030 N/A GLU 579.A N GLU 579.A OE1 no hydrogen 2.696 N/A LEU 580.A N ILE 577.A O no hydrogen 2.884 N/A GLU 581.A N ASP 578.A O no hydrogen 3.032 N/A VAL 582.A N GLU 579.A O no hydrogen 3.301 N/A PHE 587.A N HIS 447.A NE2 no hydrogen 3.041 N/A PHE 590.A N THR 588.A OG1 no hydrogen 3.317 N/A TYR 591.A OH SER 426.A O no hydrogen 2.670 N/A ALA 592.A N ASP 589.A O no hydrogen 3.069 N/A LYS 594.A N TYR 591.A O no hydrogen 3.461 N/A THR 599.A N TYR 433.A OH no hydrogen 3.049 N/A THR 600.A OG1 GLY 427.A O no hydrogen 2.753 N/A ALA 601.A N ASN 429.A OD1 no hydrogen 2.985 N/A ASN 602.A ND2 TRP 329.A O no hydrogen 2.860 N/A TRP 604.A N ASN 366.A OD1 no hydrogen 2.875 N/A THR 606.A N GLN 603.A O no hydrogen 3.049 N/A THR 606.A OG1 GLN 603.A O no hydrogen 3.269 N/A ILE 607.A N GLN 603.A O no hydrogen 3.019 N/A ALA 608.A N TRP 604.A O no hydrogen 2.935 N/A SER 611.A N THR 609.A OG1 no hydrogen 2.856 N/A SER 611.A OG THR 609.A OG1 no hydrogen 3.349 N/A