Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w6w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG.A ASP 76.A OD1 no hydrogen 2.637 N/A SER 2.A OG.B ASP 76.A O no hydrogen 3.289 N/A SER 2.A OG.B ASP 76.A OD1 no hydrogen 2.716 N/A TYR 4.A N ASP 76.A OD1 no hydrogen 3.125 N/A TYR 4.A N ASP 76.A OD2 no hydrogen 2.898 N/A TYR 4.A OH GLU 117.A OE1 no hydrogen 2.706 N/A TYR 4.A OH GLU 117.A OE2 no hydrogen 3.244 N/A ILE 6.A N HIS 390.A O no hydrogen 2.979 N/A THR 7.A N GLN 113.A OE1 no hydrogen 2.848 N/A THR 7.A OG1 GLY 8.A O no hydrogen 2.645 N/A THR 7.A OG1 GLN 113.A OE1 no hydrogen 3.375 N/A GLY 8.A N GLN 113.A OE1 no hydrogen 2.992 N/A LYS 11.A NZ PRO 16.A O no hydrogen 2.810 N/A LYS 11.A NZ ASN 414.A OD1 no hydrogen 3.237 N/A LYS 14.A N ASP 12.A OD1.B no hydrogen 3.134 N/A LYS 14.A N ASP 12.A OD2.A no hydrogen 3.422 N/A LYS 14.A NZ.A ASP 12.A OD1.B no hydrogen 3.430 N/A LYS 14.A NZ.A ASP 12.A OD2.A no hydrogen 3.088 N/A LYS 14.A NZ.B ASN 137.A OD1 no hydrogen 3.019 N/A HIS 15.A N.A ASP 12.A O no hydrogen 2.953 N/A HIS 15.A N.B ASP 12.A O no hydrogen 2.945 N/A HIS 15.A NE2.B ASN 137.A OD1 no hydrogen 3.101 N/A ARG 20.A N ASP 416.A O no hydrogen 2.889 N/A ARG 20.A NE GLU 112.A OE1 no hydrogen 2.900 N/A ARG 20.A NH1 TYR 417.A OH no hydrogen 3.004 N/A ARG 20.A NH2 GLU 112.A OE2 no hydrogen 3.007 N/A LYS 21.A NZ GLU 29.A OE1.B no hydrogen 3.194 N/A ILE 23.A N TYR 146.A O no hydrogen 2.828 N/A ASP 24.A N ASP 22.A OD1 no hydrogen 2.854 N/A ASP 25.A N ASP 22.A OD1 no hydrogen 3.332 N/A TRP 26.A N ASP 22.A O no hydrogen 2.823 N/A TRP 26.A NE1 GLN 39.A OE1.A no hydrogen 2.988 N/A TRP 26.A NE1 GLN 39.A OE1.B no hydrogen 2.864 N/A TYR 27.A N ILE 23.A O no hydrogen 2.926 N/A LEU 28.A N ASP 24.A O no hydrogen 2.911 N/A GLU 29.A N ASP 25.A O no hydrogen 2.844 N/A GLN 30.A N TRP 26.A O no hydrogen 2.847 N/A GLN 30.A NE2 GLU 29.A OE2.A no hydrogen 2.961 N/A THR 31.A N TYR 27.A O no hydrogen 3.022 N/A THR 31.A N LEU 28.A O no hydrogen 3.351 N/A THR 31.A OG1 TYR 27.A O no hydrogen 2.920 N/A THR 31.A OG1 LEU 28.A O no hydrogen 3.342 N/A SER 32.A N GLU 29.A O no hydrogen 3.105 N/A SER 32.A OG GLU 29.A O no hydrogen 2.592 N/A SER 32.A OG ALA 33.A O no hydrogen 3.428 N/A SER 35.A N SER 32.A O no hydrogen 3.219 N/A SER 35.A OG.A GLU 29.A OE1.A no hydrogen 2.892 N/A SER 35.A OG.B GLU 29.A O no hydrogen 3.133 N/A SER 35.A OG.B GLN 30.A O no hydrogen 2.846 N/A SER 35.A OG.B SER 32.A O no hydrogen 2.780 N/A ASN 36.A ND2 GLU 138.A OE2 no hydrogen 3.015 N/A ARG 37.A N SER 35.A OG.A no hydrogen 3.267 N/A ARG 37.A NE LYS 170.A O no hydrogen 2.940 N/A ARG 37.A NH2 LYS 170.A O no hydrogen 3.123 N/A ILE 38.A N ASN 36.A OD1 no hydrogen 2.937 N/A GLN 39.A NE2.A GLU 138.A OE1 no hydrogen 2.878 N/A GLN 39.A NE2.B GLU 138.A O no hydrogen 3.319 N/A LEU 40.A N GLN 30.A OE1 no hydrogen 2.865 N/A THR 41.A N ARG 37.A O no hydrogen 3.165 N/A THR 41.A OG1 ARG 37.A O no hydrogen 2.895 N/A LEU 42.A N ILE 38.A O no hydrogen 2.852 N/A PHE 43.A N GLN 39.A O no hydrogen 2.907 N/A VAL 44.A N LEU 40.A O no hydrogen 3.011 N/A GLU 45.A N THR 41.A O no hydrogen 2.860 N/A ALA 46.A N LEU 42.A O no hydrogen 2.865 N/A LEU 47.A N PHE 43.A O no hydrogen 2.923 N/A THR 48.A N VAL 44.A O no hydrogen 3.018 N/A THR 48.A OG1 VAL 44.A O no hydrogen 2.771 N/A VAL 49.A N GLU 45.A O no hydrogen 3.070 N/A ILE 50.A N ALA 46.A O no hydrogen 2.977 N/A GLN 51.A N LEU 47.A O no hydrogen 2.890 N/A GLN 51.A NE2 PRO 186.A O no hydrogen 2.988 N/A ASN 52.A N THR 48.A O no hydrogen 3.079 N/A ASN 52.A N VAL 49.A O no hydrogen 3.076 N/A ASN 52.A ND2.A THR 48.A O no hydrogen 2.979 N/A ARG 53.A N ILE 50.A O no hydrogen 3.341 N/A ARG 53.A NH1 LEU 59.A O no hydrogen 2.933 N/A ASP 57.A N PRO 54.A O no hydrogen 3.033 N/A GLN 58.A NE2 ASP 76.A OD1 no hydrogen 3.024 N/A LEU 59.A N ASP 57.A OD1 no hydrogen 2.886 N/A SER 60.A N ASP 57.A O no hydrogen 2.967 N/A SER 60.A OG PRO 54.A O no hydrogen 3.430 N/A SER 60.A OG ASP 57.A O no hydrogen 2.848 N/A TYR 61.A N ILE 50.A O no hydrogen 2.920 N/A TYR 61.A OH TYR 346.A O no hydrogen 2.800 N/A ARG 63.A N SER 60.A OG no hydrogen 3.231 N/A ARG 63.A NH1 LEU 55.A O no hydrogen 3.051 N/A ARG 63.A NH2 GLU 74.A O no hydrogen 3.002 N/A LEU 64.A N SER 60.A O no hydrogen 2.963 N/A ALA 65.A N TYR 61.A O no hydrogen 2.887 N/A GLY 66.A N PHE 62.A O no hydrogen 2.802 N/A ILE 67.A N LEU 64.A O no hydrogen 3.202 N/A HIS 68.A N ALA 65.A O no hydrogen 3.195 N/A HIS 68.A ND1 VAL 341.A O no hydrogen 3.226 N/A ALA 70.A N PRO 342.A O no hydrogen 2.867 N/A TRP 72.A N GLY 69.A O no hydrogen 3.007 N/A THR 73.A OG1 GLU 74.A O no hydrogen 3.088 N/A GLU 74.A N GLU 74.A OE1.A no hydrogen 2.738 N/A TRP 75.A N VAL 78.A O no hydrogen 3.065 N/A TRP 75.A NE1 GLN 58.A O no hydrogen 2.825 N/A ASP 76.A N GLN 58.A OE1 no hydrogen 2.791 N/A GLY 77.A N GLU 74.A OE1.B no hydrogen 3.084 N/A VAL 78.A N TRP 75.A O no hydrogen 2.899 N/A GLY 81.A N TRP 72.A O no hydrogen 2.746 N/A ASP 84.A N ASN 88.A O no hydrogen 2.790 N/A SER 85.A N ASP 501.A OD1 no hydrogen 2.857 N/A SER 85.A OG ASP 501.A OD1 no hydrogen 3.531 N/A SER 85.A OG ASP 501.A OD2 no hydrogen 2.860 N/A LYS 86.A N ASP 84.A OD1 no hydrogen 2.855 N/A GLY 87.A N ASP 84.A O no hydrogen 2.903 N/A ASN 88.A N ASP 84.A OD1 no hydrogen 2.814 N/A ASN 88.A ND2 ASP 84.A OD2 no hydrogen 2.938 N/A ASN 88.A ND2 TYR 459.A OH no hydrogen 2.974 N/A THR 90.A N GLN 82.A O no hydrogen 2.992 N/A THR 90.A OG1 GLY 91.A O no hydrogen 3.518 N/A THR 90.A OG1 SER 498.A OG no hydrogen 2.879 N/A PHE 92.A N ILE 67.A O no hydrogen 3.194 N/A CYS 93.A N HIS 68.A O no hydrogen 3.418 N/A CYS 93.A SG HIS 68.A O no hydrogen 3.330 N/A HIS 95.A N GLU 500.A OE1 no hydrogen 2.935 N/A HIS 95.A ND1 GLU 500.A OE2 no hydrogen 2.887 N/A HIS 95.A NE2 HIS 68.A NE2 no hydrogen 3.244 N/A ASN 96.A N GLU 307.A OE2 no hydrogen 2.684 N/A TYR 98.A OH ASP 297.A OD2.B no hydrogen 2.426 N/A PHE 100.A N ASN 97.A O no hydrogen 2.965 N/A THR 102.A OG1 THR 99.A O no hydrogen 3.147 N/A THR 102.A OG1 SER 404.A OG no hydrogen 2.791 N/A TRP 103.A N THR 99.A O no hydrogen 2.839 N/A TRP 103.A NE1 ARG 387.A O no hydrogen 2.835 N/A HIS 104.A N PHE 100.A O no hydrogen 3.353 N/A HIS 104.A ND1 PHE 100.A O no hydrogen 2.864 N/A ARG 105.A N PRO 101.A O no hydrogen 2.960 N/A ARG 105.A NE ASP 358.A OD1 no hydrogen 2.699 N/A ARG 105.A NH1 GLN 365.A OE1 no hydrogen 2.889 N/A ARG 105.A NH1 VAL 407.A O no hydrogen 2.865 N/A ARG 105.A NH2 ASP 358.A O no hydrogen 3.465 N/A ARG 105.A NH2 ASP 358.A OD1 no hydrogen 3.534 N/A ARG 105.A NH2 GLN 365.A OE1 no hydrogen 3.006 N/A VAL 106.A N THR 102.A O no hydrogen 3.226 N/A TYR 107.A N TRP 103.A O no hydrogen 3.072 N/A TYR 107.A OH LEU 64.A O no hydrogen 2.641 N/A VAL 108.A N HIS 104.A O no hydrogen 2.975 N/A THR 109.A N ARG 105.A O no hydrogen 3.219 N/A THR 109.A OG1 ARG 105.A O no hydrogen 3.037 N/A LEU 110.A N VAL 106.A O no hydrogen 2.925 N/A TYR 111.A N TYR 107.A O no hydrogen 3.205 N/A GLU 112.A N VAL 108.A O no hydrogen 3.008 N/A GLN 113.A N THR 109.A O no hydrogen 2.901 N/A GLN 113.A NE2 LEU 5.A O no hydrogen 3.298 N/A GLN 113.A NE2 GLU 117.A OE2 no hydrogen 3.183 N/A VAL 114.A N LEU 110.A O no hydrogen 2.971 N/A ILE 115.A N TYR 111.A O no hydrogen 2.986 N/A TYR 116.A N GLU 112.A O no hydrogen 2.933 N/A GLU 117.A N GLN 113.A O no hydrogen 2.953 N/A ALA 118.A N VAL 114.A O no hydrogen 2.998 N/A MET 119.A N ILE 115.A O no hydrogen 2.860 N/A LEU 120.A N TYR 116.A O no hydrogen 3.050 N/A ASP 121.A N GLU 117.A O no hydrogen 3.191 N/A PHE 122.A N ALA 118.A O no hydrogen 2.898 N/A ILE 123.A N MET 119.A O no hydrogen 3.034 N/A LYS 124.A N LEU 120.A O no hydrogen 3.069 N/A GLN 125.A N ASP 121.A O no hydrogen 2.931 N/A ASN 126.A N PHE 122.A O no hydrogen 2.775 N/A VAL 127.A N ILE 123.A O no hydrogen 3.122 N/A GLY 131.A N PRO 128.A O no hydrogen 2.885 N/A LYS 132.A N GLN 129.A O no hydrogen 3.225 N/A LYS 132.A NZ.A GLN 129.A OE1.A no hydrogen 2.408 N/A LYS 132.A NZ.B ILE 123.A O no hydrogen 3.358 N/A LYS 132.A NZ.B LYS 124.A O no hydrogen 2.996 N/A LYS 132.A NZ.B VAL 127.A O no hydrogen 3.217 N/A TRP 135.A N GLY 131.A O no hydrogen 3.143 N/A GLU 136.A N LYS 132.A O no hydrogen 2.896 N/A ASN 137.A N ALA 133.A O no hydrogen 2.999 N/A GLU 138.A N ASP 134.A O no hydrogen 3.175 N/A ALA 139.A N TRP 135.A O no hydrogen 2.964 N/A LYS 140.A N GLU 136.A O no hydrogen 2.946 N/A LYS 140.A NZ.A ASP 12.A OD1.A no hydrogen 3.489 N/A GLN 141.A N GLU 138.A O no hydrogen 3.129 N/A TRP 142.A N GLU 138.A O no hydrogen 3.008 N/A TRP 142.A N ALA 139.A O no hydrogen 3.249 N/A ARG 143.A NE ASN 414.A O no hydrogen 2.872 N/A ARG 143.A NH1 LYS 140.A O no hydrogen 3.072 N/A ARG 143.A NH1 TRP 142.A O no hydrogen 2.790 N/A ARG 143.A NH2 ASN 414.A O no hydrogen 2.998 N/A LEU 144.A N GLU 112.A OE1 no hydrogen 2.856 N/A TYR 146.A N LYS 21.A O no hydrogen 2.901 N/A TRP 147.A N LEU 352.A O no hydrogen 3.172 N/A TRP 147.A NE1 ARG 159.A O no hydrogen 2.847 N/A ALA 150.A N ASP 148.A OD1 no hydrogen 3.216 N/A ARG 151.A N ASP 148.A O no hydrogen 3.333 N/A ARG 151.A NH1 ASP 22.A OD2 no hydrogen 3.023 N/A ARG 151.A NH1 ASP 25.A OD2 no hydrogen 2.959 N/A ALA 153.A N GLU 157.A O no hydrogen 2.955 N/A ARG 154.A NH1.B ASP 25.A OD1 no hydrogen 2.451 N/A ARG 154.A NH2.B ASP 25.A OD1 no hydrogen 2.982 N/A LEU 158.A N ASN 256.A OD1 no hydrogen 2.903 N/A ARG 159.A NE GLU 157.A OE1.A no hydrogen 2.905 N/A ARG 159.A NE GLU 157.A OE1.B no hydrogen 2.880 N/A ARG 159.A NH2 GLU 157.A OE1.A no hydrogen 3.003 N/A LEU 160.A N ASN 252.A OD1 no hydrogen 2.811 N/A ILE 162.A N ASP 24.A OD1 no hydrogen 2.853 N/A VAL 164.A N PRO 161.A O no hydrogen 3.054 N/A THR 165.A N ILE 162.A O no hydrogen 2.955 N/A THR 165.A OG1 ILE 162.A O no hydrogen 2.764 N/A MET 166.A N LEU 163.A O no hydrogen 3.416 N/A VAL 169.A N LYS 183.A O no hydrogen 2.903 N/A VAL 171.A N LEU 181.A O no hydrogen 2.971 N/A LEU 172.A N THR 41.A OG1 no hydrogen 2.939 N/A VAL 173.A N LYS 179.A O no hydrogen 3.235 N/A GLN 176.A N VAL 173.A O no hydrogen 3.028 N/A LYS 179.A N GLN 176.A O no hydrogen 3.074 N/A LEU 181.A N VAL 171.A O no hydrogen 2.923 N/A LYS 183.A N VAL 169.A O no hydrogen 2.907 N/A LYS 183.A NZ GLU 45.A OE1 no hydrogen 3.568 N/A LYS 183.A NZ GLU 45.A OE2 no hydrogen 2.636 N/A ASN 185.A N PRO 167.A O no hydrogen 2.911 N/A ASN 185.A ND2 LEU 163.A O no hydrogen 2.635 N/A ASN 185.A ND2 MET 166.A O no hydrogen 2.794 N/A LEU 187.A N ASN 185.A OD1 no hydrogen 2.953 N/A TYR 188.A N ASN 185.A O no hydrogen 3.056 N/A ARG 189.A NH1 SER 226.A OG no hydrogen 2.919 N/A ARG 189.A NH1 ASP 243.A OD2 no hydrogen 2.885 N/A PHE 190.A N THR 227.A OG1 no hydrogen 2.979 N/A MET 192.A N GLN 225.A O no hydrogen 2.994 N/A THR 194.A OG1 LEU 195.A O no hydrogen 3.446 N/A THR 194.A OG1 THR 198.A OG1 no hydrogen 3.413 N/A MET 196.A N CYS 224.A O no hydrogen 2.782 N/A GLY 197.A N ASP 222.A O no hydrogen 3.012 N/A THR 198.A N LEU 195.A O no hydrogen 2.950 N/A THR 198.A OG1 THR 194.A OG1 no hydrogen 3.413 N/A THR 198.A OG1 LEU 195.A O no hydrogen 2.972 N/A TYR 203.A N GLU 200.A O no hydrogen 2.865 N/A ILE 205.A N MET 196.A O no hydrogen 2.868 N/A THR 206.A OG1.B ALA 204.A O no hydrogen 3.562 N/A GLN 208.A NE2 HIS 213.A O no hydrogen 2.744 N/A LYS 209.A N SER 207.A OG no hydrogen 3.090 N/A GLU 211.A N GLN 208.A O no hydrogen 3.062 N/A GLU 212.A N GLU 212.A OE1.A no hydrogen 2.581 N/A TRP 215.A N ASN 88.A OD1 no hydrogen 2.795 N/A TRP 215.A NE1 ASP 218.A OD1.B no hydrogen 2.952 N/A TRP 215.A NE1 ASP 218.A OD2.B no hydrogen 3.063 N/A PHE 221.A N LEU 219.A O no hydrogen 2.777 N/A LYS 223.A N PRO 220.A O no hydrogen 2.866 N/A CYS 224.A N PHE 221.A O no hydrogen 3.173 N/A CYS 224.A SG PRO 220.A O no hydrogen 3.628 N/A CYS 224.A SG TRP 241.A O no hydrogen 3.533 N/A GLN 225.A N ALA 242.A O no hydrogen 2.735 N/A GLN 225.A NE2 MET 192.A O no hydrogen 2.900 N/A SER 226.A N ALA 242.A O no hydrogen 2.934 N/A SER 226.A OG THR 227.A O no hydrogen 2.893 N/A THR 227.A N PHE 190.A O no hydrogen 2.954 N/A THR 227.A OG1 PHE 190.A O no hydrogen 3.552 N/A THR 228.A N HIS 337.A ND1 no hydrogen 3.158 N/A THR 228.A OG1 GLY 245.A O no hydrogen 2.703 N/A LYS 229.A N GLY 245.A O no hydrogen 3.171 N/A LYS 229.A NZ GLN 246.A OE1 no hydrogen 3.006 N/A LYS 229.A NZ ASP 347.A OD1.A no hydrogen 3.339 N/A LYS 229.A NZ ASP 347.A OD1.B no hydrogen 3.149 N/A LYS 229.A NZ ASP 347.A OD2.A no hydrogen 2.945 N/A LYS 229.A NZ ASP 347.A OD2.B no hydrogen 3.059 N/A TYR 230.A N GLY 318.A O no hydrogen 2.823 N/A TYR 230.A OH TRP 316.A O no hydrogen 2.607 N/A LEU 232.A N ALA 335.A O no hydrogen 2.929 N/A GLU 234.A N PHE 322.A O no hydrogen 2.862 N/A ASP 239.A N ASN 237.A OD1 no hydrogen 2.800 N/A VAL 240.A N ASN 237.A O no hydrogen 2.900 N/A TRP 241.A N ALA 238.A O no hydrogen 2.976 N/A TRP 241.A NE1 LEU 233.A O no hydrogen 3.133 N/A ALA 242.A N ASP 239.A O no hydrogen 3.352 N/A GLY 245.A N ASP 243.A OD1 no hydrogen 2.987 N/A GLN 246.A NE2 THR 227.A O no hydrogen 2.943 N/A ASN 247.A N LYS 229.A O no hydrogen 3.203 N/A TRP 248.A N GLN 246.A O no hydrogen 2.746 N/A ARG 250.A N ASN 247.A OD1 no hydrogen 3.021 N/A ARG 250.A NE LEU 332.A O no hydrogen 2.896 N/A ARG 250.A NH1 ARG 250.A O no hydrogen 3.055 N/A ARG 250.A NH2 LEU 332.A O no hydrogen 2.949 N/A ALA 251.A N ASN 247.A O no hydrogen 3.112 N/A ASN 252.A N TRP 248.A O no hydrogen 2.904 N/A LEU 253.A N LEU 249.A O no hydrogen 2.990 N/A ALA 254.A N ARG 250.A O no hydrogen 3.021 N/A LEU 255.A N ALA 251.A O no hydrogen 2.893 N/A ASN 256.A N ASN 252.A O no hydrogen 3.110 N/A ASN 256.A N LEU 253.A O no hydrogen 3.140 N/A ASN 256.A ND2 LEU 158.A O no hydrogen 2.775 N/A ASN 256.A ND2 ASN 252.A O no hydrogen 2.842 N/A GLU 257.A N ALA 254.A O no hydrogen 2.969 N/A HIS 258.A ND1 PRO 259.A O no hydrogen 2.938 N/A TRP 260.A N PHE 488.A O no hydrogen 2.936 N/A GLN 262.A N PRO 259.A O no hydrogen 3.148 N/A GLN 262.A NE2 TYR 261.A OH no hydrogen 3.178 N/A ASN 263.A N TRP 260.A O no hydrogen 3.129 N/A LEU 264.A N TYR 261.A O no hydrogen 2.989 N/A VAL 270.A N GLN 262.A OE1 no hydrogen 3.110 N/A THR 272.A N GLU 257.A O no hydrogen 2.975 N/A THR 272.A OG1 GLU 257.A O no hydrogen 3.398 N/A GLN 274.A N PRO 271.A O no hydrogen 2.993 N/A GLN 274.A NE2 ALA 150.A O no hydrogen 2.911 N/A ASP 275.A N PRO 271.A O no hydrogen 3.189 N/A MET 276.A N THR 272.A O no hydrogen 2.811 N/A THR 277.A N LEU 273.A O no hydrogen 2.988 N/A THR 277.A OG1 LEU 273.A O no hydrogen 2.835 N/A PHE 278.A N GLN 274.A O no hydrogen 2.857 N/A ARG 279.A N ASP 275.A O no hydrogen 2.949 N/A ARG 279.A NE ASP 275.A OD1 no hydrogen 2.799 N/A ARG 279.A NH1 ASP 449.A OD2 no hydrogen 3.021 N/A ARG 279.A NH2 TYR 442.A OH no hydrogen 2.957 N/A ARG 279.A NH2 ASP 449.A OD1 no hydrogen 2.943 N/A ARG 279.A NH2 ASP 449.A OD2 no hydrogen 3.488 N/A LEU 280.A N MET 276.A O no hydrogen 2.843 N/A LEU 281.A N THR 277.A O no hydrogen 3.079 N/A THR 282.A N PHE 278.A O no hydrogen 3.063 N/A THR 282.A OG1 PHE 278.A O no hydrogen 2.807 N/A THR 283.A N ARG 279.A O no hydrogen 2.993 N/A THR 283.A OG1 ARG 279.A O no hydrogen 2.830 N/A ASN 287.A N GLU 290.A OE1 no hydrogen 2.854 N/A TRP 288.A N ASN 374.A OD1 no hydrogen 2.968 N/A TRP 288.A NE1 TYR 98.A O no hydrogen 3.058 N/A GLY 289.A N ASP 375.A OD1 no hydrogen 2.926 N/A GLU 290.A N ASN 287.A OD1 no hydrogen 2.913 N/A PHE 291.A N ASN 287.A O no hydrogen 3.111 N/A SER 292.A N TRP 288.A O no hydrogen 2.878 N/A SER 292.A OG TRP 288.A O no hydrogen 2.783 N/A SER 293.A OG GLU 307.A OE1 no hydrogen 2.778 N/A THR 294.A N GLU 307.A OE1 no hydrogen 2.989 N/A THR 294.A OG1 ASN 96.A OD1.A no hydrogen 2.749 N/A THR 294.A OG1 ASN 96.A OD1.B no hydrogen 3.037 N/A THR 294.A OG1 GLU 307.A OE1 no hydrogen 3.318 N/A ARG 295.A N SER 293.A OG no hydrogen 2.953 N/A ARG 295.A NE.B ASP 297.A OD2.B no hydrogen 2.666 N/A ARG 295.A NH1.A ASN 96.A O no hydrogen 2.972 N/A TYR 296.A N LEU 510.A O no hydrogen 2.925 N/A TYR 296.A OH ASP 298.A OD1 no hydrogen 2.684 N/A ASN 302.A N ALA 299.A O no hydrogen 3.082 N/A ASN 302.A ND2 GLU 290.A OE1 no hydrogen 3.252 N/A ASN 302.A ND2 GLU 290.A OE2 no hydrogen 3.522 N/A TRP 303.A N PRO 300.A O no hydrogen 2.968 N/A ASN 305.A ND2 TRP 303.A O no hydrogen 2.987 N/A ASN 305.A ND2 VAL 512.A O no hydrogen 2.951 N/A LEU 306.A N PHE 291.A O no hydrogen 2.925 N/A ALA 308.A N ASN 305.A OD1 no hydrogen 2.803 N/A ILE 309.A N ASN 305.A O no hydrogen 3.363 N/A HIS 310.A N LEU 306.A O no hydrogen 2.991 N/A HIS 310.A ND1 ASN 311.A OD1 no hydrogen 2.939 N/A HIS 310.A NE2 HIS 354.A NE2 no hydrogen 3.103 N/A ASN 311.A N GLU 307.A O no hydrogen 2.813 N/A ASN 312.A N ALA 308.A O no hydrogen 3.062 N/A ASN 312.A ND2.A SER 491.A O no hydrogen 2.897 N/A VAL 313.A N ILE 309.A O no hydrogen 3.085 N/A HIS 314.A N HIS 310.A O no hydrogen 3.045 N/A HIS 314.A ND1 MET 338.A O no hydrogen 2.752 N/A HIS 314.A NE2 HIS 310.A NE2 no hydrogen 2.965 N/A ASN 315.A N ASN 311.A O no hydrogen 3.156 N/A ASN 315.A ND2 GLN 467.A OE1 no hydrogen 2.898 N/A TRP 316.A N ASN 312.A O no hydrogen 2.884 N/A VAL 317.A N VAL 313.A O no hydrogen 2.914 N/A GLY 318.A N HIS 314.A O no hydrogen 3.157 N/A GLY 319.A N ASN 315.A O no hydrogen 2.787 N/A PHE 322.A N SER 542.A O no hydrogen 2.794 N/A SER 323.A N SER 542.A O no hydrogen 3.447 N/A SER 323.A OG.A GLU 234.A OE2.A no hydrogen 3.147 N/A SER 323.A OG.A GLN 543.A O no hydrogen 3.540 N/A SER 323.A OG.B GLU 234.A OE2.A no hydrogen 2.709 N/A SER 323.A OG.B GLU 234.A OE2.B no hydrogen 3.132 N/A HIS 328.A NE2 PRO 325.A O no hydrogen 2.834 N/A LEU 330.A N ASP 329.A OD1.B no hydrogen 2.793 N/A LYS 331.A NZ.A HIS 328.A O no hydrogen 2.835 N/A LYS 331.A NZ.B HIS 328.A O no hydrogen 2.613 N/A GLY 334.A N MET 321.A O no hydrogen 2.749 N/A ALA 335.A N LEU 232.A O no hydrogen 2.851 N/A GLY 336.A N GLY 319.A O no hydrogen 2.983 N/A HIS 337.A N THR 228.A O no hydrogen 3.150 N/A SER 339.A N GLY 336.A O no hydrogen 3.222 N/A SER 339.A OG GLY 319.A O no hydrogen 2.812 N/A SER 339.A OG GLY 336.A O no hydrogen 3.108 N/A SER 340.A N HIS 337.A O no hydrogen 3.004 N/A VAL 343.A N SER 340.A O no hydrogen 3.048 N/A ALA 344.A N SER 340.A O no hydrogen 2.835 N/A TYR 346.A N VAL 343.A O no hydrogen 3.181 N/A TYR 346.A OH ALA 70.A O no hydrogen 2.734 N/A ASP 347.A N ALA 344.A O no hydrogen 3.157 N/A ILE 349.A N ASP 347.A OD1.A no hydrogen 2.899 N/A PHE 350.A N ASP 347.A O no hydrogen 2.825 N/A TRP 351.A N PRO 348.A O no hydrogen 3.409 N/A TRP 351.A NE1 TYR 61.A OH no hydrogen 3.167 N/A HIS 353.A N ILE 349.A O no hydrogen 2.853 N/A HIS 354.A N PHE 350.A O no hydrogen 2.903 N/A CYS 355.A N TRP 351.A O no hydrogen 2.797 N/A CYS 355.A SG LEU 144.A O no hydrogen 3.472 N/A CYS 355.A SG PRO 145.A O no hydrogen 3.717 N/A ASN 356.A N LEU 352.A O no hydrogen 3.149 N/A ILE 357.A N HIS 353.A O no hydrogen 2.901 N/A ASP 358.A N HIS 354.A O no hydrogen 2.897 N/A ARG 359.A N CYS 355.A O no hydrogen 3.006 N/A ARG 359.A NH1 ASN 356.A OD1 no hydrogen 3.018 N/A ARG 359.A NH1 TYR 434.A OH no hydrogen 2.988 N/A ARG 359.A NH2 TYR 434.A OH no hydrogen 2.931 N/A LEU 360.A N ASN 356.A O no hydrogen 2.785 N/A THR 361.A N ILE 357.A O no hydrogen 2.995 N/A THR 361.A OG1 ILE 357.A O no hydrogen 2.913 N/A ALA 362.A N ASP 358.A O no hydrogen 2.877 N/A ILE 363.A N ARG 359.A O no hydrogen 2.822 N/A TRP 364.A N LEU 360.A O no hydrogen 2.919 N/A GLN 365.A N THR 361.A O no hydrogen 2.812 N/A GLN 365.A NE2 LYS 408.A O no hydrogen 2.854 N/A THR 366.A N ALA 362.A O no hydrogen 2.959 N/A THR 366.A OG1 ALA 362.A O no hydrogen 2.792 N/A VAL 367.A N ILE 363.A O no hydrogen 3.154 N/A VAL 367.A N TRP 364.A O no hydrogen 3.240 N/A ASN 368.A N GLN 365.A O no hydrogen 3.203 N/A ASN 368.A ND2 TRP 364.A O no hydrogen 2.893 N/A SER 371.A N ASN 368.A O no hydrogen 3.059 N/A TRP 372.A NE1 ASP 405.A OD1 no hydrogen 2.914 N/A SER 378.A N ASP 375.A OD2 no hydrogen 2.923 N/A SER 378.A OG ASP 375.A OD1 no hydrogen 2.745 N/A SER 378.A OG ASP 375.A OD2 no hydrogen 3.434 N/A LYS 379.A N ASP 375.A O no hydrogen 2.990 N/A SER 381.A N SER 378.A O no hydrogen 2.911 N/A SER 381.A OG SER 378.A O no hydrogen 2.847 N/A LYS 382.A N LYS 379.A O no hydrogen 3.121 N/A LYS 382.A NZ ASP 383.A OD1 no hydrogen 2.891 N/A LYS 382.A NZ ASP 405.A OD2 no hydrogen 2.898 N/A ASP 384.A N SER 381.A O no hydrogen 3.072 N/A LEU 386.A N PHE 402.A O no hydrogen 2.810 N/A ARG 387.A NH1.A GLN 82.A OE1 no hydrogen 3.391 N/A PHE 389.A N LEU 386.A O no hydrogen 3.110 N/A HIS 390.A ND1 ASP 76.A OD2 no hydrogen 2.697 N/A ARG 391.A N VAL 400.A O no hydrogen 2.997 N/A CYS 393.A N LYS 398.A O no hydrogen 2.866 N/A CYS 393.A SG THR 396.A OG1 no hydrogen 3.108 N/A ARG 397.A N CYS 393.A O no hydrogen 2.754 N/A ARG 397.A NE GLU 394.A O no hydrogen 2.963 N/A ARG 397.A NH2 GLU 394.A O no hydrogen 3.502 N/A VAL 400.A N ARG 391.A O no hydrogen 2.925 N/A PHE 402.A N PHE 389.A O no hydrogen 2.918 N/A ARG 403.A N ASP 406.A OD2 no hydrogen 2.790 N/A ARG 403.A NE ASP 385.A OD1 no hydrogen 2.938 N/A ARG 403.A NH2 ASP 385.A OD1 no hydrogen 3.007 N/A SER 404.A OG THR 102.A OG1 no hydrogen 2.791 N/A ASP 406.A N ARG 403.A O no hydrogen 2.968 N/A VAL 407.A N SER 404.A O no hydrogen 3.010 N/A LYS 408.A N ASP 405.A O no hydrogen 3.375 N/A TRP 410.A NE1 ASP 416.A OD1 no hydrogen 2.906 N/A ARG 411.A N ASP 409.A OD1 no hydrogen 3.047 N/A ARG 411.A NE ASP 416.A OD2 no hydrogen 3.143 N/A ARG 411.A NH1 ASP 409.A OD1 no hydrogen 3.255 N/A ARG 411.A NH2 THR 420.A O no hydrogen 3.300 N/A SER 412.A N ASP 409.A O no hydrogen 2.989 N/A SER 412.A OG.A ASP 406.A O no hydrogen 3.413 N/A SER 412.A OG.A ASP 409.A O no hydrogen 2.743 N/A SER 412.A OG.B ASP 409.A O no hydrogen 3.235 N/A LEU 413.A N TRP 410.A O no hydrogen 2.857 N/A ASN 414.A N ARG 411.A O no hydrogen 2.922 N/A ASN 414.A ND2 ILE 9.A O no hydrogen 2.880 N/A TYR 415.A OH ASP 358.A OD2 no hydrogen 2.657 N/A ASP 416.A N PRO 18.A O no hydrogen 3.127 N/A TYR 417.A N ASP 416.A OD1 no hydrogen 2.862 N/A TYR 417.A OH ASP 358.A OD2 no hydrogen 2.619 N/A THR 420.A N TYR 417.A O no hydrogen 3.165 N/A THR 420.A OG1 ASP 416.A OD1 no hydrogen 2.783 N/A THR 420.A OG1 TYR 417.A O no hydrogen 3.152 N/A LYS 421.A N TYR 417.A O no hydrogen 3.016 N/A LYS 421.A N ALA 418.A O no hydrogen 3.222 N/A LYS 421.A NZ LEU 17.A O no hydrogen 2.554 N/A ASP 422.A N ALA 418.A O no hydrogen 3.206 N/A SER 424.A OG ASP 422.A OD1 no hydrogen 3.542 N/A ARG 425.A N ASP 422.A O no hydrogen 3.332 N/A ARG 425.A NH2 GLU 429.A OE1 no hydrogen 2.824 N/A ARG 425.A NH2 ASP 432.A OD2 no hydrogen 3.505 N/A ILE 426.A N ALA 423.A O no hydrogen 3.106 N/A ARG 427.A NH1.A LEU 281.A O no hydrogen 3.020 N/A GLU 429.A N ARG 425.A O no hydrogen 3.022 N/A ILE 430.A N ILE 426.A O no hydrogen 2.937 N/A SER 431.A N ARG 427.A O no hydrogen 3.061 N/A SER 431.A OG.B ARG 427.A O no hydrogen 3.397 N/A ASP 432.A N LYS 428.A O no hydrogen 2.896 N/A LEU 433.A N GLU 429.A O no hydrogen 2.944 N/A TYR 434.A N ILE 430.A O no hydrogen 2.865 N/A TYR 434.A OH ASP 148.A OD1 no hydrogen 3.320 N/A TYR 434.A OH ASP 148.A OD2 no hydrogen 2.532 N/A GLY 435.A N SER 431.A O no hydrogen 2.929 N/A GLN 436.A NE2.B ASP 432.A O no hydrogen 2.948 N/A ARG 437.A NE.B SER 269.A O no hydrogen 2.922 N/A ARG 437.A NH1.A SER 269.A O no hydrogen 2.711 N/A ARG 437.A NH1.B GLU 440.A OE2.B no hydrogen 3.129 N/A ARG 437.A NH2.A ASP 156.A O no hydrogen 3.355 N/A ARG 437.A NH2.B SER 269.A O no hydrogen 3.132 N/A LYS 439.A N GLY 435.A O no hydrogen 3.034 N/A LYS 439.A NZ SER 431.A OG.A no hydrogen 2.604 N/A LYS 439.A NZ SER 431.A OG.B no hydrogen 3.150 N/A GLU 440.A N GLN 436.A O no hydrogen 3.016 N/A VAL 441.A N ARG 437.A O no hydrogen 3.049 N/A TYR 442.A N THR 438.A O no hydrogen 2.908 N/A TYR 442.A OH ASP 275.A OD2 no hydrogen 2.565 N/A LYS 443.A N LYS 439.A O no hydrogen 3.079 N/A ASP 444.A N VAL 441.A O no hydrogen 3.272 N/A PHE 445.A N TYR 442.A O no hydrogen 2.945 N/A GLU 448.A N GLY 446.A O no hydrogen 2.968 N/A ASP 449.A N THR 559.A O no hydrogen 2.931 N/A ILE 451.A N HIS 557.A O no hydrogen 2.969 N/A LEU 452.A N LEU 515.A O no hydrogen 2.817 N/A SER 453.A N ALA 555.A O no hydrogen 2.887 N/A SER 453.A OG ALA 555.A O no hydrogen 3.448 N/A SER 453.A OG HIS 557.A NE2 no hydrogen 2.779 N/A ILE 454.A N SER 513.A O no hydrogen 3.066 N/A ARG 455.A N GLU 553.A O no hydrogen 2.900 N/A ARG 455.A NE GLU 553.A OE1 no hydrogen 3.446 N/A ARG 455.A NE GLU 553.A OE2 no hydrogen 3.004 N/A ARG 455.A NH2 GLU 553.A OE1 no hydrogen 2.823 N/A TYR 456.A N SER 511.A O no hydrogen 2.956 N/A ARG 458.A NE.A PHE 495.A O no hydrogen 3.063 N/A ARG 458.A NH1.A SER 498.A O no hydrogen 2.996 N/A ARG 458.A NH2.A PHE 495.A O no hydrogen 3.298 N/A TYR 459.A N SER 457.A OG no hydrogen 3.192 N/A ALA 460.A N SER 457.A O no hydrogen 3.066 N/A GLY 462.A N TYR 459.A O no hydrogen 3.010 N/A LYS 464.A N LEU 461.A O no hydrogen 3.239 N/A LYS 464.A NZ.A ASP 218.A OD2.B no hydrogen 2.845 N/A GLN 467.A N VAL 540.A O no hydrogen 2.930 N/A GLN 467.A NE2 ASN 469.A OD1 no hydrogen 2.860 N/A ILE 468.A N VAL 492.A O no hydrogen 2.833 N/A ASN 469.A N VAL 538.A O no hydrogen 2.892 N/A ASN 469.A ND2 PHE 480.A O no hydrogen 2.899 N/A ASN 469.A ND2 TYR 481.A O no hydrogen 3.301 N/A ILE 470.A N GLY 490.A O no hydrogen 2.914 N/A PHE 471.A N ARG 536.A O no hydrogen 2.774 N/A PHE 472.A N ASN 487.A O no hydrogen 3.041 N/A LYS 478.A N ASP 476.A OD1 no hydrogen 2.979 N/A LYS 478.A NZ ASP 578.A OD2 no hydrogen 2.450 N/A ASP 479.A N ASP 476.A O no hydrogen 3.077 N/A TYR 481.A N SER 485.A OG no hydrogen 2.860 N/A TYR 481.A OH GLY 544.A O no hydrogen 2.681 N/A ASP 482.A N SER 485.A OG no hydrogen 3.106 N/A ARG 484.A N ASP 482.A OD1 no hydrogen 2.857 N/A ARG 484.A NH2.B ASP 482.A OD2 no hydrogen 2.903 N/A SER 485.A N ASP 482.A O no hydrogen 2.938 N/A SER 485.A OG ASP 479.A OD1 no hydrogen 2.599 N/A SER 485.A OG ASP 482.A O no hydrogen 3.325 N/A SER 485.A OG ASP 482.A OD1 no hydrogen 3.468 N/A GLN 486.A NE2 ASP 474.A O no hydrogen 2.842 N/A ASN 487.A ND2 ASP 474.A O no hydrogen 2.864 N/A PHE 488.A N SER 485.A O no hydrogen 3.108 N/A VAL 489.A N ILE 470.A O no hydrogen 2.789 N/A GLY 490.A N ILE 470.A O no hydrogen 3.482 N/A SER 491.A OG GLU 257.A OE2 no hydrogen 2.687 N/A VAL 492.A N ILE 468.A O no hydrogen 2.930 N/A PHE 493.A N ASN 312.A OD1.A no hydrogen 2.910 N/A ASN 494.A N PHE 466.A O no hydrogen 2.898 N/A ASN 494.A ND2 ARG 458.A O no hydrogen 3.045 N/A ASN 494.A ND2 LYS 464.A O no hydrogen 3.497 N/A SER 496.A OG GLY 463.A O no hydrogen 2.748 N/A LEU 499.A N ASP 84.A OD2 no hydrogen 2.803 N/A GLU 500.A N SER 498.A OG no hydrogen 2.920 N/A SER 502.A OG.A LYS 83.A O no hydrogen 2.690 N/A SER 502.A OG.B GLN 82.A OE1 no hydrogen 2.724 N/A ASN 503.A N ASN 503.A OD1 no hydrogen 2.615 N/A CYS 504.A N ASP 501.A O no hydrogen 3.172 N/A CYS 504.A SG.B ASP 501.A O no hydrogen 3.228 N/A CYS 504.A SG.B ASP 505.A O no hydrogen 3.628 N/A ALA 508.A N ASP 505.A O no hydrogen 3.151 N/A SER 511.A N TYR 456.A O no hydrogen 2.769 N/A SER 511.A OG ASN 96.A OD1.A no hydrogen 2.975 N/A VAL 512.A N THR 294.A O no hydrogen 2.823 N/A SER 513.A N ILE 454.A O no hydrogen 2.951 N/A GLN 514.A NE2 PRO 300.A O no hydrogen 2.874 N/A GLN 514.A NE2 LYS 301.A O no hydrogen 3.194 N/A LEU 515.A N LEU 452.A O no hydrogen 2.942 N/A ALA 517.A N TYR 450.A O no hydrogen 2.942 N/A ARG 518.A NH1 ARG 518.A O no hydrogen 2.966 N/A ARG 518.A NH2 GLY 446.A O no hydrogen 3.022 N/A ARG 518.A NH2 GLU 448.A OE2 no hydrogen 3.297 N/A VAL 521.A N ALA 517.A O no hydrogen 2.909 N/A HIS 522.A N ARG 518.A O no hydrogen 3.100 N/A TYR 523.A N LEU 519.A O no hydrogen 3.065 N/A TYR 524.A N ALA 520.A O no hydrogen 2.918 N/A TYR 524.A OH GLU 531.A OE1 no hydrogen 2.664 N/A LYS 525.A N VAL 521.A O no hydrogen 2.856 N/A LYS 526.A N HIS 522.A O no hydrogen 3.069 N/A GLN 527.A N TYR 523.A O no hydrogen 3.186 N/A GLN 527.A N TYR 524.A O no hydrogen 3.018 N/A ASN 528.A N LYS 525.A O no hydrogen 3.158 N/A ASN 528.A ND2 TYR 524.A O no hydrogen 3.000 N/A GLY 530.A N LYS 525.A O no hydrogen 2.907 N/A GLU 531.A N ASN 528.A O no hydrogen 2.984 N/A ARG 536.A N PHE 471.A O no hydrogen 2.938 N/A TYR 537.A N LYS 573.A O no hydrogen 3.031 N/A VAL 538.A N ASN 469.A O no hydrogen 2.930 N/A VAL 540.A N GLN 467.A O no hydrogen 2.774 N/A ASN 541.A N LYS 545.A O no hydrogen 2.922 N/A ASN 541.A ND2 GLU 547.A OE2 no hydrogen 2.777 N/A SER 542.A OG.B PHE 320.A O no hydrogen 2.870 N/A GLN 543.A N ASN 541.A OD1 no hydrogen 2.880 N/A GLY 544.A N ASN 541.A O no hydrogen 2.919 N/A LYS 545.A N ASN 541.A OD1 no hydrogen 2.996 N/A ALA 546.A N TYR 581.A O no hydrogen 2.890 N/A GLU 547.A N VAL 539.A O no hydrogen 2.772 N/A GLU 553.A N ARG 455.A O no hydrogen 2.937 N/A ALA 555.A N SER 453.A O no hydrogen 3.179 N/A LEU 556.A N ALA 570.A O no hydrogen 2.878 N/A HIS 557.A N ILE 451.A O no hydrogen 2.859 N/A HIS 557.A NE2 SER 453.A OG no hydrogen 2.779 N/A LYS 558.A N ARG 567.A O no hydrogen 2.839 N/A LYS 558.A NZ GLU 448.A OE1 no hydrogen 3.473 N/A LYS 558.A NZ TYR 450.A OH no hydrogen 3.334 N/A THR 559.A N ASP 449.A O no hydrogen 2.923 N/A THR 559.A OG1 GLU 560.A O no hydrogen 3.345 N/A THR 559.A OG1 ASP 565.A O no hydrogen 3.158 N/A THR 559.A OG1 ASP 565.A OD2 no hydrogen 3.187 N/A GLY 561.A N GLU 447.A O no hydrogen 2.800 N/A THR 562.A OG1 TYR 564.A O no hydrogen 3.180 N/A TYR 566.A OH ASP 449.A OD2 no hydrogen 2.569 N/A ARG 567.A N LYS 558.A O no hydrogen 2.768 N/A ARG 568.A NH1 ASP 571.A OD1 no hydrogen 2.855 N/A VAL 569.A N LEU 556.A O no hydrogen 2.842 N/A ALA 570.A N LEU 556.A O no hydrogen 3.401 N/A GLY 572.A N VAL 554.A O no hydrogen 2.752 N/A LYS 573.A N PRO 535.A O no hydrogen 2.914 N/A ARG 574.A NH1.A VAL 550.A O no hydrogen 2.796 N/A ARG 574.A NH1.B GLU 576.A OE2 no hydrogen 3.068 N/A ARG 574.A NH2.A VAL 550.A O no hydrogen 2.681 N/A ARG 574.A NH2.B GLU 576.A OE1 no hydrogen 3.115 N/A ALA 575.A N TYR 537.A O no hydrogen 2.873 N/A ASP 578.A N GLY 477.A O no hydrogen 2.960 N/A TYR 581.A N ASP 578.A O no hydrogen 2.783 N/A TYR 581.A OH HIS 328.A NE2 no hydrogen 2.896 N/A ARG 582.A N ASP 579.A O no hydrogen 3.123 N/A ARG 582.A NE VAL 577.A O no hydrogen 2.832 N/A ARG 582.A NH1 VAL 577.A O no hydrogen 2.929 N/A ALA 583.A N ALA 546.A O no hydrogen 2.838 N/A