Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dt4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 7.A N ASN 4.A O no hydrogen 2.988 N/A PHE 8.A N.A GLU 29.A OE1 no hydrogen 3.006 N/A PHE 8.A N.B GLU 29.A OE1 no hydrogen 3.000 N/A SER 9.A N ASP 7.A OD1 no hydrogen 3.008 N/A SER 9.A OG.A ASP 7.A OD1 no hydrogen 2.739 N/A SER 9.A OG.B ASP 7.A OD1 no hydrogen 2.806 N/A SER 9.A OG.B ASP 7.A OD2 no hydrogen 3.412 N/A LYS 11.A N PHE 8.A O.A no hydrogen 2.973 N/A LYS 11.A N PHE 8.A O.B no hydrogen 2.875 N/A LYS 11.A NZ GLU 38.A O no hydrogen 3.228 N/A VAL 12.A N SER 9.A O no hydrogen 3.130 N/A ILE 13.A N ILE 40.A O no hydrogen 2.819 N/A GLN 14.A NE2 ILE 42.A O no hydrogen 3.102 N/A GLN 14.A NE2 GLU 49.A OE1 no hydrogen 2.582 N/A ASP 18.A N SER 16.A OG no hydrogen 3.113 N/A SER 19.A N SER 16.A O no hydrogen 3.161 N/A SER 19.A OG SER 16.A O no hydrogen 3.214 N/A LEU 20.A N LEU 17.A O no hydrogen 3.230 N/A ARG 25.A N PRO 21.A O no hydrogen 2.990 N/A ARG 25.A NE GLU 29.A OE2 no hydrogen 2.876 N/A ARG 25.A NH1 ASP 18.A OD1 no hydrogen 2.871 N/A ARG 25.A NH2 GLU 29.A OE1 no hydrogen 3.089 N/A LYS 26.A N GLN 22.A O no hydrogen 3.010 N/A PHE 27.A N GLU 23.A O no hydrogen 3.102 N/A VAL 28.A N VAL 24.A O no hydrogen 2.914 N/A GLU 29.A N ARG 25.A O no hydrogen 2.883 N/A GLY 30.A N LYS 26.A O no hydrogen 2.917 N/A ASN 31.A N PHE 27.A O no hydrogen 3.154 N/A ASN 31.A ND2 PHE 27.A O no hydrogen 3.125 N/A ALA 32.A N VAL 28.A O no hydrogen 2.804 N/A GLN 33.A N GLU 29.A O no hydrogen 2.944 N/A LEU 34.A N GLY 30.A O no hydrogen 3.195 N/A CYS 35.A N ASN 31.A O no hydrogen 2.774 N/A CYS 35.A SG PHE 127.A O no hydrogen 4.030 N/A GLN 36.A N ALA 32.A O no hydrogen 2.828 N/A GLN 36.A NE2.B GLN 33.A O no hydrogen 2.938 N/A GLU 38.A N ARG 134.A O no hydrogen 2.806 N/A TYR 39.A N ARG 134.A O no hydrogen 3.367 N/A ILE 40.A N LYS 11.A O no hydrogen 2.841 N/A HIS 41.A N MET 136.A O no hydrogen 2.884 N/A HIS 41.A NE2 GLU 49.A OE1 no hydrogen 2.857 N/A ILE 42.A N GLN 14.A O no hydrogen 2.984 N/A CYS 43.A N VAL 138.A O no hydrogen 2.861 N/A CYS 43.A SG VAL 138.A O no hydrogen 3.420 N/A ASP 44.A N GLU 49.A OE1 no hydrogen 2.875 N/A GLY 45.A N GLU 49.A OE2 no hydrogen 2.822 N/A SER 46.A N ASP 44.A OD1 no hydrogen 2.825 N/A SER 46.A OG ASP 44.A OD1 no hydrogen 2.731 N/A SER 46.A OG ASP 44.A OD2 no hydrogen 3.549 N/A GLU 49.A N SER 46.A OG no hydrogen 3.046 N/A TYR 50.A N SER 46.A O no hydrogen 3.104 N/A GLY 51.A N GLU 47.A O no hydrogen 2.824 N/A ARG 52.A N GLU 48.A O no hydrogen 3.003 N/A LEU 53.A N GLU 49.A O no hydrogen 3.002 N/A LEU 54.A N TYR 50.A O no hydrogen 2.989 N/A ALA 55.A N GLY 51.A O no hydrogen 2.956 N/A HIS 56.A N ARG 52.A O no hydrogen 2.823 N/A MET 57.A N LEU 53.A O no hydrogen 3.028 N/A GLN 58.A N LEU 54.A O no hydrogen 2.936 N/A GLU 59.A N ALA 55.A O no hydrogen 2.984 N/A GLU 60.A N HIS 56.A O no hydrogen 3.102 N/A GLY 61.A N GLN 58.A O no hydrogen 3.003 N/A VAL 62.A N MET 57.A O no hydrogen 2.799 N/A ILE 63.A N MET 57.A O no hydrogen 3.368 N/A ARG 64.A N LEU 74.A O no hydrogen 2.852 N/A ARG 64.A NE GLU 359.A OE1 no hydrogen 2.810 N/A ARG 64.A NH2 GLU 359.A OE2 no hydrogen 2.960 N/A LEU 66.A N CYS 72.A O no hydrogen 2.934 N/A LYS 68.A N GLY 363.A O no hydrogen 3.165 N/A LYS 68.A NZ ASP 362.A OD2 no hydrogen 2.798 N/A TYR 69.A N LEU 66.A O no hydrogen 3.239 N/A ASN 71.A ND2 ASN 351.A OD1 no hydrogen 2.808 N/A CYS 72.A SG ASP 70.A O no hydrogen 3.685 N/A CYS 72.A SG ILE 348.A O no hydrogen 3.906 N/A TRP 73.A N THR 352.A O no hydrogen 3.059 N/A TRP 73.A NE1 ASN 71.A OD1 no hydrogen 2.946 N/A LEU 74.A N ARG 64.A O no hydrogen 2.819 N/A ALA 75.A N PHE 354.A O no hydrogen 2.867 N/A THR 77.A N ASN 356.A OD1 no hydrogen 2.857 N/A THR 77.A OG1 ASP 78.A O no hydrogen 3.005 N/A THR 77.A OG1 ASP 81.A O no hydrogen 3.133 N/A ARG 80.A N ASP 78.A OD1 no hydrogen 2.923 N/A ARG 80.A NE ASP 78.A OD1 no hydrogen 3.093 N/A ARG 80.A NE ASP 78.A OD2 no hydrogen 3.333 N/A ARG 80.A NH2 ASP 78.A OD2 no hydrogen 2.782 N/A ASP 81.A N ASP 78.A O no hydrogen 2.943 N/A ARG 84.A N ALA 464.A O no hydrogen 3.128 N/A ARG 84.A NH1 GLU 86.A OE1 no hydrogen 2.989 N/A GLU 86.A N GLU 466.A OE2 no hydrogen 2.811 N/A SER 87.A N GLU 466.A OE1 no hydrogen 2.945 N/A LYS 88.A N ILE 85.A O no hydrogen 3.049 N/A LYS 88.A NZ.B PRO 211.A O no hydrogen 3.227 N/A THR 89.A N GLU 86.A O no hydrogen 3.111 N/A THR 89.A OG1 ILE 85.A O no hydrogen 2.778 N/A VAL 90.A N ILE 216.A O no hydrogen 2.850 N/A ILE 91.A N ARG 112.A O no hydrogen 2.909 N/A ILE 92.A N HIS 218.A O no hydrogen 2.885 N/A THR 93.A OG1 GLU 95.A O no hydrogen 2.766 N/A THR 93.A OG1 THR 99.A OG1 no hydrogen 2.812 N/A GLN 94.A NE2 GLU 95.A OE2 no hydrogen 3.149 N/A ASP 98.A N GLU 95.A O no hydrogen 3.085 N/A THR 99.A N GLN 96.A O no hydrogen 2.909 N/A THR 99.A OG1 THR 93.A OG1 no hydrogen 2.812 N/A VAL 100.A N GLN 96.A O no hydrogen 3.051 N/A LYS 104.A N ASP 595.A O no hydrogen 2.806 N/A LYS 104.A NZ ASN 598.A OD1 no hydrogen 3.006 N/A GLN 109.A N GLN 596.A OE1 no hydrogen 2.856 N/A LEU 110.A N SER 108.A OG no hydrogen 2.907 N/A TRP 113.A NE1 THR 93.A O no hydrogen 2.919 N/A MET 114.A N ILE 91.A O no hydrogen 2.998 N/A GLU 117.A N GLU 117.A OE2.A no hydrogen 2.910 N/A ASP 118.A N SER 115.A OG no hydrogen 2.978 N/A PHE 119.A N SER 115.A O no hydrogen 2.916 N/A GLU 120.A N GLU 116.A O no hydrogen 2.905 N/A LYS 121.A N GLU 117.A O no hydrogen 3.258 N/A ALA 122.A N ASP 118.A O no hydrogen 2.958 N/A PHE 123.A N PHE 119.A O no hydrogen 2.770 N/A ASN 124.A N GLU 120.A O no hydrogen 2.965 N/A ALA 125.A N LYS 121.A O no hydrogen 3.119 N/A ALA 125.A N ALA 122.A O no hydrogen 3.262 N/A ARG 126.A N PHE 123.A O no hydrogen 3.012 N/A ARG 126.A NE LEU 213.A O no hydrogen 2.793 N/A ARG 126.A NH1 ALA 122.A O no hydrogen 2.984 N/A PHE 127.A N PHE 123.A O no hydrogen 2.985 N/A GLY 129.A N LEU 34.A O no hydrogen 2.920 N/A CYS 130.A N PHE 127.A O no hydrogen 2.979 N/A CYS 130.A SG PHE 127.A O no hydrogen 3.251 N/A CYS 130.A SG SER 192.A OG no hydrogen 3.326 N/A MET 131.A N CYS 35.A O no hydrogen 2.896 N/A LYS 132.A N GLY 129.A O no hydrogen 3.144 N/A ARG 134.A N MET 131.A O no hydrogen 2.851 N/A ARG 134.A NE CYS 195.A O no hydrogen 2.987 N/A ARG 134.A NH2 CYS 195.A O no hydrogen 2.835 N/A MET 136.A N TYR 39.A O no hydrogen 2.827 N/A TYR 137.A N THR 158.A O no hydrogen 2.758 N/A VAL 138.A N HIS 41.A O no hydrogen 2.839 N/A ILE 139.A N GLU 156.A O no hydrogen 2.804 N/A PHE 141.A N GLY 154.A O no hydrogen 2.988 N/A SER 142.A N ARG 172.A O no hydrogen 2.774 N/A SER 142.A OG GLY 144.A O no hydrogen 2.957 N/A MET 143.A N LYS 152.A O no hydrogen 2.858 N/A GLY 144.A N PRO 325.A O no hydrogen 2.870 N/A SER 148.A N PRO 145.A O no hydrogen 2.909 N/A LEU 150.A N SER 148.A OG no hydrogen 2.975 N/A ALA 151.A N SER 148.A O no hydrogen 3.377 N/A LYS 152.A N MET 143.A O no hydrogen 2.955 N/A GLY 154.A N PHE 141.A O no hydrogen 2.857 N/A ILE 155.A N ILE 187.A O no hydrogen 3.047 N/A GLU 156.A N ILE 139.A O no hydrogen 2.907 N/A LEU 157.A N CYS 189.A O no hydrogen 2.836 N/A THR 158.A N TYR 137.A O no hydrogen 3.044 N/A THR 158.A OG1 HIS 191.A ND1 no hydrogen 2.769 N/A SER 160.A N THR 158.A OG1 no hydrogen 2.960 N/A TYR 162.A OH THR 355.A OG1 no hydrogen 2.610 N/A VAL 163.A N SER 160.A OG no hydrogen 3.103 N/A VAL 164.A N SER 160.A O no hydrogen 3.250 N/A ALA 165.A N PRO 161.A O no hydrogen 3.045 N/A SER 166.A N TYR 162.A O no hydrogen 2.990 N/A SER 166.A OG TYR 162.A O no hydrogen 2.975 N/A MET 167.A N VAL 163.A O no hydrogen 2.799 N/A ARG 168.A N VAL 164.A O no hydrogen 2.994 N/A ARG 168.A NE GLY 45.A O no hydrogen 3.048 N/A ARG 168.A NH2 GLY 45.A O no hydrogen 2.976 N/A ILE 169.A N SER 166.A O no hydrogen 3.178 N/A MET 170.A N SER 166.A O no hydrogen 2.922 N/A THR 171.A N MET 167.A O no hydrogen 2.976 N/A THR 171.A OG1 MET 167.A O no hydrogen 2.762 N/A ARG 172.A N SER 142.A O no hydrogen 3.288 N/A ARG 172.A NH1 GLU 326.A O no hydrogen 3.015 N/A ARG 172.A NH2 GLU 418.A OE1 no hydrogen 2.836 N/A GLY 174.A N PRO 140.A O no hydrogen 2.873 N/A THR 175.A N ASP 44.A O no hydrogen 3.062 N/A VAL 177.A N GLY 174.A O no hydrogen 3.013 N/A LEU 178.A N GLY 174.A O no hydrogen 3.363 N/A GLU 179.A N THR 175.A O no hydrogen 2.929 N/A ALA 180.A N SER 176.A O no hydrogen 2.882 N/A LEU 181.A N VAL 177.A O no hydrogen 2.780 N/A GLY 182.A N LEU 178.A O no hydrogen 3.178 N/A GLY 184.A N LEU 181.A O no hydrogen 3.170 N/A ILE 187.A N ILE 153.A O no hydrogen 2.990 N/A LYS 188.A N ARG 223.A O no hydrogen 3.098 N/A LYS 188.A NZ.B ARG 222.A O no hydrogen 3.384 N/A CYS 189.A N ILE 155.A O no hydrogen 2.968 N/A CYS 189.A SG ILE 187.A O no hydrogen 3.941 N/A LEU 190.A N ILE 225.A O no hydrogen 2.842 N/A HIS 191.A N LEU 157.A O no hydrogen 2.813 N/A HIS 191.A ND1 THR 158.A OG1 no hydrogen 2.769 N/A HIS 191.A NE2 SER 230.A O no hydrogen 2.784 N/A SER 192.A N SER 227.A O no hydrogen 3.062 N/A SER 192.A OG ASP 159.A OD2 no hydrogen 2.783 N/A VAL 193.A N ASP 159.A OD1 no hydrogen 2.914 N/A GLY 194.A N SER 192.A OG no hydrogen 3.007 N/A CYS 195.A SG VAL 193.A O no hydrogen 3.868 N/A CYS 195.A SG CYS 209.A O no hydrogen 2.956 N/A LEU 197.A N LYS 132.A O no hydrogen 2.865 N/A TRP 207.A N VAL 204.A O no hydrogen 2.886 N/A TRP 207.A NE1 ASP 81.A OD2 no hydrogen 2.781 N/A CYS 209.A SG ASP 78.A OD2 no hydrogen 3.458 N/A CYS 209.A SG TRP 207.A O no hydrogen 3.784 N/A ASN 210.A N GLY 229.A O no hydrogen 2.726 N/A GLU 212.A N GLU 212.A OE2 no hydrogen 2.800 N/A LEU 213.A N ASN 210.A O no hydrogen 3.228 N/A THR 214.A N PRO 211.A O no hydrogen 3.187 N/A THR 214.A OG1 ASN 210.A O no hydrogen 2.894 N/A THR 214.A OG1 PRO 211.A O no hydrogen 3.515 N/A LEU 215.A N PHE 228.A O no hydrogen 2.918 N/A ILE 216.A N LYS 88.A O no hydrogen 2.840 N/A ALA 217.A N ILE 226.A O no hydrogen 2.851 N/A HIS 218.A N VAL 90.A O no hydrogen 2.976 N/A HIS 218.A ND1 VAL 90.A O no hydrogen 2.911 N/A LEU 219.A N GLU 224.A O no hydrogen 2.808 N/A ARG 222.A N LEU 219.A O no hydrogen 2.988 N/A ARG 222.A NE GLU 224.A OE1 no hydrogen 3.296 N/A ARG 222.A NH2 GLU 224.A OE2 no hydrogen 2.995 N/A ARG 223.A N PRO 220.A O no hydrogen 3.178 N/A ARG 223.A NH2 PHE 186.A O no hydrogen 2.869 N/A GLU 224.A N LEU 219.A O no hydrogen 3.185 N/A ILE 225.A N LYS 188.A O no hydrogen 2.817 N/A ILE 226.A N ALA 217.A O no hydrogen 2.855 N/A SER 227.A N LEU 190.A O no hydrogen 2.789 N/A SER 227.A OG ASN 235.A O no hydrogen 2.673 N/A PHE 228.A N LEU 215.A O no hydrogen 2.868 N/A GLY 229.A N SER 192.A O no hydrogen 2.806 N/A SER 230.A OG ASP 81.A OD1 no hydrogen 2.593 N/A GLY 231.A N ASP 81.A OD2 no hydrogen 2.770 N/A TYR 232.A N SER 230.A OG no hydrogen 3.194 N/A ASN 235.A N TYR 232.A O no hydrogen 2.816 N/A ASN 235.A ND2 ALA 83.A O no hydrogen 3.276 N/A ASN 235.A ND2 SER 230.A OG no hydrogen 2.854 N/A SER 236.A N GLY 233.A O no hydrogen 3.191 N/A SER 236.A OG GLY 231.A O no hydrogen 2.805 N/A SER 236.A OG TYR 232.A O no hydrogen 3.158 N/A LEU 237.A N GLY 233.A O no hydrogen 2.846 N/A LEU 238.A N GLU 156.A OE1 no hydrogen 3.034 N/A LYS 240.A N LEU 237.A O no hydrogen 3.154 N/A LYS 240.A NZ ASP 308.A OD2 no hydrogen 2.748 N/A LYS 240.A NZ GLU 326.A OE2 no hydrogen 2.796 N/A LYS 241.A NZ ASP 308.A OD1 no hydrogen 3.141 N/A LYS 241.A NZ ASP 308.A OD2 no hydrogen 2.893 N/A CYS 242.A SG HIS 218.A NE2 no hydrogen 3.363 N/A PHE 243.A N LEU 238.A O no hydrogen 2.965 N/A ALA 244.A N GLY 239.A O no hydrogen 2.977 N/A ALA 244.A N LYS 240.A O no hydrogen 2.934 N/A LEU 245.A N LYS 241.A O no hydrogen 3.188 N/A ARG 246.A N LYS 241.A O no hydrogen 2.953 N/A ARG 246.A NE PRO 481.A O no hydrogen 3.010 N/A ARG 246.A NH1 HIS 218.A NE2 no hydrogen 3.053 N/A ARG 246.A NH2 PRO 481.A O no hydrogen 2.987 N/A ILE 247.A N CYS 242.A O no hydrogen 2.984 N/A ALA 248.A N PHE 243.A O no hydrogen 2.853 N/A SER 249.A N LEU 245.A O no hydrogen 2.825 N/A SER 249.A OG LEU 245.A O no hydrogen 2.860 N/A SER 249.A OG ARG 246.A O no hydrogen 3.072 N/A ARG 250.A NH1 ASP 221.A OD1 no hydrogen 3.468 N/A ARG 250.A NH1 ASP 221.A OD2 no hydrogen 3.372 N/A ARG 250.A NH2 ASP 221.A OD2 no hydrogen 3.078 N/A LEU 251.A N ILE 247.A O no hydrogen 3.175 N/A ALA 252.A N ALA 248.A O no hydrogen 2.724 N/A LYS 253.A N SER 249.A O no hydrogen 2.992 N/A GLU 254.A N ARG 250.A O no hydrogen 3.157 N/A GLU 255.A N LEU 251.A O no hydrogen 2.937 N/A GLU 255.A N ALA 252.A O no hydrogen 3.171 N/A TRP 257.A N ALA 252.A O no hydrogen 2.947 N/A TRP 257.A NE1 GLU 255.A OE1 no hydrogen 2.929 N/A LEU 258.A N MET 312.A O no hydrogen 2.823 N/A GLU 260.A N ALA 310.A O no hydrogen 2.883 N/A HIS 261.A ND1 ALA 478.A O no hydrogen 2.819 N/A LEU 263.A N ALA 279.A O no hydrogen 2.958 N/A ILE 264.A N GLY 306.A O no hydrogen 2.899 N/A LEU 265.A N LEU 277.A O no hydrogen 2.974 N/A GLY 266.A N GLU 303.A O no hydrogen 2.782 N/A ILE 267.A N LYS 275.A O no hydrogen 2.742 N/A THR 268.A N LYS 301.A O no hydrogen 2.836 N/A ASN 269.A N LYS 273.A O no hydrogen 2.906 N/A GLY 272.A N ASN 269.A O no hydrogen 2.966 N/A LYS 273.A N ASN 269.A OD1 no hydrogen 2.951 N/A LYS 274.A NZ TYR 276.A OH no hydrogen 3.141 N/A LYS 274.A NZ GLU 303.A OE1 no hydrogen 2.932 N/A LYS 274.A NZ ASP 414.A OD1 no hydrogen 2.722 N/A LYS 275.A N ILE 267.A O no hydrogen 2.902 N/A LYS 275.A NZ GLU 426.A OE1 no hydrogen 2.926 N/A TYR 276.A OH ASP 414.A OD1 no hydrogen 3.301 N/A TYR 276.A OH ASP 414.A OD2 no hydrogen 2.777 N/A LEU 277.A N LEU 265.A O no hydrogen 2.897 N/A ALA 278.A N GLY 427.A O no hydrogen 3.006 N/A ALA 279.A N LEU 263.A O no hydrogen 3.096 N/A ALA 280.A N ILE 429.A O no hydrogen 2.749 N/A CYS 285.A SG SER 283.A O no hydrogen 3.524 N/A CYS 285.A SG SER 459.A OG no hydrogen 3.493 N/A LYS 287.A NZ HIS 261.A NE2 no hydrogen 3.261 N/A LYS 287.A NZ PHE 281.A O no hydrogen 2.827 N/A THR 288.A OG1 ASP 307.A OD2 no hydrogen 2.510 N/A LEU 290.A N GLY 286.A O no hydrogen 3.031 N/A ALA 291.A N LYS 287.A O no hydrogen 2.834 N/A MET 292.A N THR 288.A O no hydrogen 3.393 N/A MET 293.A N LEU 290.A O no hydrogen 3.164 N/A THR 296.A N GLY 528.A O no hydrogen 3.263 N/A THR 296.A OG1 GLY 528.A O no hydrogen 3.360 N/A THR 296.A OG1 GLU 529.A OE1 no hydrogen 2.808 N/A TRP 300.A N LEU 297.A O no hydrogen 3.372 N/A LYS 301.A N THR 268.A O no hydrogen 2.962 N/A GLU 303.A N GLY 266.A O no hydrogen 2.807 N/A CYS 304.A N ILE 412.A O no hydrogen 2.880 N/A VAL 305.A N ILE 264.A O no hydrogen 2.940 N/A GLY 306.A N ILE 264.A O no hydrogen 3.077 N/A ALA 310.A N GLU 260.A O no hydrogen 2.936 N/A TRP 311.A N ILE 323.A O no hydrogen 2.883 N/A TRP 311.A NE1 ALA 244.A O no hydrogen 2.982 N/A MET 312.A N LEU 258.A O no hydrogen 2.882 N/A LYS 313.A N ARG 321.A O no hydrogen 2.982 N/A ASP 315.A N ASN 319.A O no hydrogen 2.866 N/A GLY 318.A N ASP 315.A O no hydrogen 3.013 N/A ASN 319.A N ASP 315.A OD1 no hydrogen 2.885 N/A ASN 319.A ND2 ASP 315.A OD1 no hydrogen 3.520 N/A ASN 319.A ND2 ASP 315.A OD2 no hydrogen 3.296 N/A ARG 321.A N LYS 313.A O no hydrogen 2.836 N/A ARG 321.A NE.A ASP 315.A OD2 no hydrogen 2.871 N/A ARG 321.A NE.B GLU 421.A O no hydrogen 2.978 N/A ARG 321.A NE.B GLY 422.A O no hydrogen 3.187 N/A ARG 321.A NH1.A GLY 422.A O no hydrogen 2.909 N/A ARG 321.A NH1.B ASP 315.A OD2 no hydrogen 3.289 N/A ARG 321.A NH2.B GLY 422.A O no hydrogen 2.798 N/A ALA 322.A N VAL 423.A O no hydrogen 2.822 N/A ILE 323.A N TRP 311.A O no hydrogen 2.804 N/A ASN 324.A ND2 VAL 305.A O no hydrogen 2.938 N/A GLU 326.A N ASN 324.A OD1 no hydrogen 2.895 N/A ASN 327.A N MET 170.A O no hydrogen 2.931 N/A ASN 327.A ND2 THR 171.A O no hydrogen 3.003 N/A PHE 329.A N THR 405.A O no hydrogen 2.881 N/A GLY 331.A N PHE 403.A O no hydrogen 2.843 N/A ALA 333.A N SER 401.A O no hydrogen 2.928 N/A GLY 335.A N GLU 368.A O no hydrogen 2.871 N/A THR 336.A N ALA 333.A O no hydrogen 2.981 N/A THR 336.A OG1 VAL 332.A O no hydrogen 3.280 N/A THR 336.A OG1 ALA 333.A O no hydrogen 2.767 N/A SER 337.A N THR 340.A OG1 no hydrogen 3.000 N/A SER 337.A OG THR 340.A OG1 no hydrogen 3.241 N/A THR 340.A N SER 337.A OG no hydrogen 3.072 N/A THR 340.A OG1 GLY 335.A O no hydrogen 2.760 N/A THR 340.A OG1 SER 337.A OG no hydrogen 3.241 N/A ASN 341.A N SER 337.A O no hydrogen 2.859 N/A ASN 343.A ND2 MET 292.A O no hydrogen 2.944 N/A ALA 344.A N ASN 341.A OD1 no hydrogen 3.145 N/A ILE 345.A N ASN 341.A O no hydrogen 3.150 N/A LYS 346.A N PRO 342.A O no hydrogen 3.004 N/A THR 347.A N ASN 343.A O no hydrogen 3.039 N/A THR 347.A OG1 ASN 343.A O no hydrogen 2.767 N/A ILE 348.A N ALA 344.A O no hydrogen 3.052 N/A GLN 349.A NE2.A ILE 345.A O no hydrogen 3.630 N/A GLN 349.A NE2.B ILE 345.A O no hydrogen 2.923 N/A ASN 351.A N ASP 70.A O no hydrogen 2.929 N/A ASN 351.A ND2 GLN 409.A OE1 no hydrogen 2.908 N/A THR 352.A OG1 LYS 350.A O no hydrogen 2.838 N/A THR 352.A OG1 THR 405.A OG1 no hydrogen 2.834 N/A ILE 353.A N CYS 404.A O no hydrogen 3.014 N/A PHE 354.A N TRP 73.A O no hydrogen 2.811 N/A THR 355.A N ARG 402.A O no hydrogen 2.920 N/A THR 355.A OG1 TYR 162.A OH no hydrogen 2.610 N/A ASN 356.A N ALA 75.A O no hydrogen 2.818 N/A ASN 356.A ND2 THR 77.A OG1 no hydrogen 2.849 N/A ALA 358.A N TYR 366.A O no hydrogen 2.963 N/A GLU 359.A N THR 381.A O no hydrogen 2.943 N/A THR 360.A N GLY 364.A O no hydrogen 2.866 N/A THR 360.A OG1 ASP 362.A OD1 no hydrogen 2.544 N/A SER 361.A N THR 379.A O no hydrogen 2.858 N/A GLY 363.A N THR 360.A O no hydrogen 2.853 N/A GLY 364.A N THR 360.A OG1 no hydrogen 2.937 N/A VAL 365.A N TYR 69.A OH no hydrogen 3.062 N/A TYR 366.A N ALA 358.A O no hydrogen 2.928 N/A TYR 366.A OH GLU 372.A O no hydrogen 2.960 N/A TRP 367.A NE1 THR 336.A O no hydrogen 2.863 N/A ILE 370.A N TRP 367.A O no hydrogen 3.106 N/A VAL 378.A N ALA 375.A O no hydrogen 3.028 N/A THR 379.A N SER 361.A OG no hydrogen 2.935 N/A THR 381.A N GLU 359.A O no hydrogen 2.805 N/A SER 382.A N LYS 386.A O no hydrogen 2.797 N/A SER 382.A OG LYS 386.A O no hydrogen 3.395 N/A TRP 383.A N CYS 396.A O no hydrogen 2.795 N/A LYS 384.A N SER 382.A OG no hydrogen 3.027 N/A ASN 385.A N SER 382.A O no hydrogen 2.904 N/A TRP 388.A N ILE 380.A O no hydrogen 2.886 N/A TRP 388.A NE1 GLU 394.A O no hydrogen 2.761 N/A ARG 389.A N ASP 392.A OD2 no hydrogen 2.934 N/A ASP 392.A N ARG 389.A O no hydrogen 2.822 N/A CYS 396.A N GLU 368.A OE1 no hydrogen 2.804 N/A CYS 396.A SG GLU 368.A OE1 no hydrogen 3.499 N/A CYS 396.A SG GLU 368.A OE2 no hydrogen 3.682 N/A ALA 397.A N GLU 368.A OE2 no hydrogen 3.093 N/A HIS 398.A N ASN 356.A O no hydrogen 2.924 N/A ASN 400.A N HIS 398.A ND1 no hydrogen 2.886 N/A ASN 400.A ND2 VAL 82.A O no hydrogen 3.084 N/A ASN 400.A ND2 TYR 232.A OH no hydrogen 2.913 N/A SER 401.A N HIS 398.A O no hydrogen 2.934 N/A SER 401.A OG HIS 398.A O no hydrogen 2.775 N/A ARG 402.A N THR 355.A O no hydrogen 3.090 N/A ARG 402.A NE ASN 400.A OD1 no hydrogen 3.251 N/A ARG 402.A NH1 PHE 330.A O no hydrogen 2.904 N/A ARG 402.A NH2 ASN 400.A OD1 no hydrogen 3.066 N/A PHE 403.A N GLY 331.A O no hydrogen 2.846 N/A CYS 404.A N ILE 353.A O no hydrogen 2.798 N/A THR 405.A N PHE 329.A O no hydrogen 3.019 N/A THR 405.A OG1 THR 347.A O no hydrogen 3.315 N/A THR 405.A OG1 THR 352.A OG1 no hydrogen 2.834 N/A ALA 407.A N ASN 327.A O no hydrogen 3.066 N/A GLN 409.A N PRO 406.A O no hydrogen 3.220 N/A GLN 409.A NE2 THR 347.A O no hydrogen 2.812 N/A GLN 409.A NE2 LYS 350.A O no hydrogen 2.873 N/A CYS 410.A N ALA 407.A O no hydrogen 3.030 N/A ILE 413.A N CYS 410.A O no hydrogen 3.058 N/A ASP 414.A N CYS 304.A O no hydrogen 2.833 N/A ALA 416.A N ASP 414.A OD2 no hydrogen 2.879 N/A TRP 417.A N ASP 414.A O no hydrogen 3.044 N/A SER 419.A N ALA 416.A O no hydrogen 3.002 N/A GLY 422.A N SER 419.A O no hydrogen 3.101 N/A VAL 423.A N ALA 322.A O no hydrogen 2.846 N/A ILE 425.A N LEU 320.A O no hydrogen 2.771 N/A GLU 426.A N TYR 276.A O no hydrogen 2.893 N/A ILE 428.A N LYS 507.A O no hydrogen 2.844 N/A ILE 429.A N ALA 278.A O no hydrogen 2.805 N/A PHE 430.A N PHE 509.A O no hydrogen 2.810 N/A GLY 431.A N ALA 280.A O no hydrogen 3.256 N/A ARG 433.A N SER 459.A OG no hydrogen 2.893 N/A ARG 433.A NE ALA 284.A O no hydrogen 3.116 N/A ARG 433.A NH1 ALA 284.A O no hydrogen 2.942 N/A ARG 434.A NH1 GLU 585.A OE2 no hydrogen 2.896 N/A ARG 434.A NH2 GLU 585.A OE1 no hydrogen 2.950 N/A ARG 434.A NH2 GLU 585.A OE2 no hydrogen 3.494 N/A TYR 442.A N HIS 510.A O no hydrogen 2.866 N/A GLU 443.A N TYR 554.A O no hydrogen 2.741 N/A ALA 444.A N ILE 508.A O no hydrogen 2.835 N/A LEU 445.A N HIS 449.A ND1 no hydrogen 2.840 N/A TRP 447.A NE1 TRP 494.A O no hydrogen 2.900 N/A HIS 449.A N SER 446.A OG no hydrogen 2.971 N/A GLY 450.A N SER 446.A O no hydrogen 2.886 N/A VAL 451.A N TRP 447.A O no hydrogen 2.851 N/A PHE 452.A N GLN 448.A O no hydrogen 3.037 N/A VAL 453.A N HIS 449.A O no hydrogen 2.802 N/A GLY 454.A N GLY 450.A O no hydrogen 2.939 N/A ALA 455.A N VAL 451.A O no hydrogen 2.881 N/A ALA 456.A N PHE 452.A O no hydrogen 2.848 N/A ALA 456.A N VAL 453.A O no hydrogen 3.325 N/A MET 457.A N GLY 454.A O no hydrogen 3.314 N/A ARG 458.A NH1 GLU 585.A OE2 no hydrogen 2.993 N/A SER 459.A N MET 473.A O no hydrogen 2.778 N/A GLU 460.A N ARG 433.A O no hydrogen 2.912 N/A ALA 461.A N VAL 471.A O no hydrogen 2.809 N/A THR 462.A OG1 SER 283.A O no hydrogen 3.260 N/A ALA 464.A N THR 462.A OG1 no hydrogen 3.410 N/A GLU 466.A N GLU 466.A OE2 no hydrogen 2.780 N/A MET 473.A N SER 459.A O no hydrogen 2.862 N/A HIS 474.A NE2 GLU 588.A OE2 no hydrogen 2.669 N/A ASP 475.A N MET 457.A O no hydrogen 2.927 N/A PHE 477.A N GLY 454.A O no hydrogen 2.960 N/A ALA 478.A N ASP 475.A O no hydrogen 2.891 N/A MET 479.A N PRO 476.A O no hydrogen 2.817 N/A ARG 480.A N ASP 475.A OD1 no hydrogen 2.876 N/A ARG 480.A NH1 HIS 474.A O no hydrogen 2.879 N/A ARG 480.A NH2 GLU 86.A OE1 no hydrogen 3.341 N/A ARG 480.A NH2 GLU 86.A OE2 no hydrogen 3.023 N/A PHE 482.A N MET 479.A O no hydrogen 2.793 N/A GLY 484.A N SER 249.A OG no hydrogen 2.916 N/A ASN 486.A N ASP 98.A O no hydrogen 2.972 N/A ASN 486.A ND2 ARG 97.A O no hydrogen 2.848 N/A ASN 486.A ND2 ASP 600.A OD2 no hydrogen 2.777 N/A LYS 489.A N ASN 486.A OD1 no hydrogen 3.171 N/A TYR 490.A N ASN 486.A O no hydrogen 3.058 N/A TYR 490.A OH GLU 260.A OE1 no hydrogen 2.552 N/A TYR 490.A OH GLU 260.A OE2 no hydrogen 3.355 N/A LEU 491.A N PHE 487.A O no hydrogen 2.893 N/A ALA 492.A N GLY 488.A O no hydrogen 3.043 N/A HIS 493.A N LYS 489.A O no hydrogen 2.936 N/A HIS 493.A NE2 TRP 257.A O no hydrogen 2.750 N/A TRP 494.A N TYR 490.A O no hydrogen 2.961 N/A TRP 494.A NE1 GLU 260.A OE2 no hydrogen 2.925 N/A LEU 495.A N LEU 491.A O no hydrogen 2.934 N/A SER 496.A N ALA 492.A O no hydrogen 2.891 N/A SER 496.A OG HIS 493.A O no hydrogen 2.572 N/A MET 497.A N TRP 494.A O no hydrogen 3.158 N/A ALA 498.A N LEU 495.A O no hydrogen 3.130 N/A HIS 499.A N SER 496.A O no hydrogen 3.098 N/A ARG 500.A N MET 497.A O no hydrogen 2.960 N/A ARG 500.A NH1 GLY 256.A O no hydrogen 3.042 N/A ALA 503.A N ARG 500.A O no hydrogen 2.990 N/A LYS 504.A N GLY 318.A O no hydrogen 2.755 N/A LYS 504.A NZ ASN 319.A OD1 no hydrogen 2.751 N/A LYS 507.A N GLU 426.A O no hydrogen 3.111 N/A LYS 507.A NZ GLU 443.A OE2 no hydrogen 2.852 N/A PHE 509.A N ILE 428.A O no hydrogen 2.882 N/A HIS 510.A N TYR 442.A O no hydrogen 2.830 N/A VAL 511.A N PHE 430.A O no hydrogen 2.869 N/A ASN 512.A N LEU 440.A O no hydrogen 2.926 N/A ASN 512.A ND2 GLY 432.A O no hydrogen 3.241 N/A ARG 515.A NH1 LEU 574.A O no hydrogen 2.973 N/A ARG 515.A NH1 GLY 576.A O no hydrogen 2.901 N/A ARG 515.A NH2 GLY 576.A O no hydrogen 3.205 N/A LYS 516.A N PRO 435.A O no hydrogen 2.803 N/A ASP 517.A N LYS 521.A O no hydrogen 2.872 N/A ASN 519.A N ASP 517.A OD2 no hydrogen 2.910 N/A GLY 520.A N ASP 517.A O no hydrogen 2.987 N/A LYS 521.A N ASP 517.A OD2 no hydrogen 3.020 N/A LEU 523.A N ARG 515.A O no hydrogen 2.981 N/A TRP 524.A NE1 ASN 530.A OD1 no hydrogen 2.759 N/A GLU 529.A N GLY 526.A O no hydrogen 2.947 N/A ASN 530.A N PHE 527.A O no hydrogen 2.819 N/A SER 531.A N GLY 528.A O no hydrogen 3.123 N/A SER 531.A OG GLY 528.A O no hydrogen 2.834 N/A ARG 532.A N GLU 529.A O no hydrogen 2.979 N/A ARG 532.A NE GLU 529.A OE1 no hydrogen 2.650 N/A ARG 532.A NH1 ASN 562.A O no hydrogen 2.959 N/A ARG 532.A NH1 LYS 564.A O no hydrogen 2.787 N/A ARG 532.A NH2 GLU 529.A OE1 no hydrogen 2.960 N/A ARG 532.A NH2 LYS 564.A O no hydrogen 2.995 N/A VAL 533.A N ASN 530.A O no hydrogen 2.966 N/A LEU 534.A N ASN 530.A O no hydrogen 3.065 N/A GLU 535.A N SER 531.A O no hydrogen 2.906 N/A TRP 536.A N ARG 532.A O no hydrogen 3.348 N/A TRP 536.A NE1 SER 546.A O no hydrogen 2.993 N/A MET 537.A N VAL 533.A O no hydrogen 3.016 N/A PHE 538.A N LEU 534.A O no hydrogen 2.854 N/A GLY 539.A N GLU 535.A O no hydrogen 3.005 N/A ARG 540.A N TRP 536.A O no hydrogen 2.990 N/A ARG 540.A NE GLU 443.A OE1 no hydrogen 2.675 N/A ARG 540.A NH1 GLU 544.A O no hydrogen 2.892 N/A ARG 540.A NH2 GLU 443.A OE1 no hydrogen 3.444 N/A ARG 540.A NH2 GLU 443.A OE2 no hydrogen 2.871 N/A ILE 541.A N MET 537.A O no hydrogen 2.945 N/A GLU 542.A N PHE 538.A O no hydrogen 3.044 N/A GLY 543.A N ARG 540.A O no hydrogen 2.954 N/A GLU 544.A N GLY 539.A O no hydrogen 2.876 N/A LYS 548.A N VAL 555.A O no hydrogen 2.786 N/A THR 550.A N GLY 553.A O no hydrogen 2.903 N/A THR 550.A OG1 GLY 553.A O no hydrogen 2.757 N/A ILE 552.A N THR 550.A OG1 no hydrogen 3.201 N/A GLY 553.A N THR 550.A O no hydrogen 3.155 N/A TYR 554.A N GLU 443.A O no hydrogen 2.970 N/A VAL 555.A N LYS 548.A O no hydrogen 2.899 N/A LYS 557.A N SER 546.A O no hydrogen 3.005 N/A LYS 557.A NZ ASP 545.A O no hydrogen 2.953 N/A LYS 557.A NZ ASP 545.A OD1 no hydrogen 3.267 N/A ALA 560.A N LYS 557.A O no hydrogen 2.998 N/A LYS 564.A N ASN 562.A OD1 no hydrogen 2.911 N/A LEU 566.A N LEU 563.A O no hydrogen 2.976 N/A VAL 569.A N LEU 566.A O no hydrogen 3.151 N/A ASN 570.A ND2 GLU 572.A OE2 no hydrogen 3.249 N/A GLU 573.A N ASN 570.A OD1 no hydrogen 3.181 N/A LEU 574.A N ASN 570.A O no hydrogen 3.025 N/A PHE 575.A N VAL 571.A O no hydrogen 2.803 N/A GLY 576.A N GLU 573.A O no hydrogen 3.283 N/A LYS 579.A NZ MET 619.A O no hydrogen 3.259 N/A PHE 581.A N SER 578.A OG no hydrogen 3.147 N/A TRP 582.A N SER 578.A O no hydrogen 2.964 N/A TRP 582.A NE1 GLY 437.A O no hydrogen 3.220 N/A GLU 583.A N LYS 579.A O no hydrogen 2.805 N/A LYS 584.A N GLU 580.A O no hydrogen 3.177 N/A GLU 585.A N PHE 581.A O no hydrogen 2.883 N/A VAL 586.A N TRP 582.A O no hydrogen 2.896 N/A GLU 587.A N GLU 583.A O no hydrogen 3.308 N/A GLU 588.A N LYS 584.A O no hydrogen 2.965 N/A ILE 589.A N GLU 585.A O no hydrogen 2.927 N/A ASP 590.A N VAL 586.A O no hydrogen 2.868 N/A LYS 591.A N GLU 587.A O no hydrogen 2.979 N/A LYS 591.A NZ ASP 595.A OD1 no hydrogen 2.802 N/A TYR 592.A N GLU 588.A O no hydrogen 3.005 N/A LEU 593.A N ILE 589.A O no hydrogen 2.890 N/A GLU 594.A N ASP 590.A O no hydrogen 2.996 N/A ASP 595.A N LYS 591.A O no hydrogen 2.854 N/A GLN 596.A N TYR 592.A O no hydrogen 2.821 N/A VAL 597.A N LEU 593.A O no hydrogen 2.850 N/A ASN 598.A N LEU 593.A O no hydrogen 3.189 N/A ASN 598.A ND2 ILE 102.A O no hydrogen 2.972 N/A ASP 600.A N VAL 597.A O no hydrogen 2.959 N/A LEU 601.A N ASN 598.A O no hydrogen 3.153 N/A GLU 604.A N GLU 604.A OE1.B no hydrogen 2.792 N/A ILE 605.A N PRO 602.A O no hydrogen 2.986 N/A GLU 606.A N PRO 602.A O no hydrogen 3.233 N/A ARG 607.A N TYR 603.A O no hydrogen 2.912 N/A GLU 608.A N GLU 604.A O no hydrogen 3.034 N/A LEU 609.A N ILE 605.A O no hydrogen 2.967 N/A ARG 610.A N GLU 606.A O no hydrogen 2.967 N/A ALA 611.A N ARG 607.A O no hydrogen 2.854 N/A LEU 612.A N GLU 608.A O no hydrogen 2.867 N/A LYS 613.A N LEU 609.A O no hydrogen 2.960 N/A LYS 613.A NZ.A GLU 587.A OE2 no hydrogen 3.208 N/A GLN 614.A N ARG 610.A O no hydrogen 2.960 N/A ARG 615.A N ALA 611.A O no hydrogen 2.947 N/A ARG 615.A NE PRO 551.A O no hydrogen 2.699 N/A ARG 615.A NH2 PRO 551.A O no hydrogen 3.366 N/A ILE 616.A N LEU 612.A O no hydrogen 2.954 N/A SER 617.A N LYS 613.A O no hydrogen 2.921 N/A SER 617.A OG GLN 614.A O no hydrogen 2.694 N/A SER 617.A OG GLN 618.A OE1 no hydrogen 3.205 N/A GLN 618.A N GLN 614.A O no hydrogen 3.235 N/A GLN 618.A N ARG 615.A O no hydrogen 3.196 N/A MET 619.A N ILE 616.A O no hydrogen 2.960 N/A