Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gnq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 HIS 4.A O no hydrogen 3.593 N/A GLN 2.A NE2 ASN 5.A OD1 no hydrogen 3.327 N/A ASP 8.A N ASN 5.A O no hydrogen 3.109 N/A PHE 9.A N GLU 30.A OE2 no hydrogen 2.917 N/A SER 10.A N ASP 8.A OD1 no hydrogen 2.911 N/A SER 10.A OG ASP 8.A OD1 no hydrogen 2.656 N/A LYS 12.A N PHE 9.A O no hydrogen 2.952 N/A LYS 12.A NZ.B GLU 39.A O no hydrogen 3.078 N/A VAL 13.A N SER 10.A O no hydrogen 3.155 N/A ILE 14.A N ILE 41.A O no hydrogen 2.890 N/A GLN 15.A NE2 ILE 43.A O no hydrogen 2.907 N/A GLN 15.A NE2 GLU 50.A OE1 no hydrogen 2.586 N/A ASP 19.A N SER 17.A OG no hydrogen 3.131 N/A SER 20.A N SER 17.A O no hydrogen 3.050 N/A LEU 21.A N LEU 18.A O no hydrogen 3.224 N/A ARG 26.A N PRO 22.A O no hydrogen 2.877 N/A ARG 26.A NE GLU 30.A OE1 no hydrogen 2.909 N/A ARG 26.A NH1 ASP 19.A OD1 no hydrogen 2.899 N/A ARG 26.A NH2 GLU 30.A OE2 no hydrogen 3.123 N/A LYS 27.A N GLN 23.A O no hydrogen 2.952 N/A PHE 28.A N GLU 24.A O no hydrogen 3.066 N/A VAL 29.A N VAL 25.A O no hydrogen 2.974 N/A GLU 30.A N ARG 26.A O no hydrogen 2.788 N/A GLY 31.A N LYS 27.A O no hydrogen 2.879 N/A ASN 32.A N PHE 28.A O no hydrogen 3.142 N/A ASN 32.A ND2 PHE 28.A O no hydrogen 3.131 N/A ALA 33.A N VAL 29.A O no hydrogen 2.771 N/A GLN 34.A N GLU 30.A O no hydrogen 2.947 N/A LEU 35.A N GLY 31.A O no hydrogen 3.075 N/A CYS 36.A N ASN 32.A O no hydrogen 2.780 N/A CYS 36.A SG PHE 128.A O no hydrogen 3.986 N/A GLN 37.A N ALA 33.A O no hydrogen 2.874 N/A GLN 37.A NE2.A GLN 34.A O no hydrogen 2.698 N/A GLU 39.A N ARG 135.A O no hydrogen 2.765 N/A TYR 40.A N ARG 135.A O no hydrogen 3.356 N/A ILE 41.A N LYS 12.A O no hydrogen 2.859 N/A HIS 42.A N MET 137.A O no hydrogen 2.818 N/A HIS 42.A NE2 GLU 50.A OE1 no hydrogen 2.845 N/A ILE 43.A N GLN 15.A O no hydrogen 2.957 N/A CYS 44.A N VAL 139.A O no hydrogen 2.882 N/A ASP 45.A N GLU 50.A OE1 no hydrogen 2.932 N/A GLY 46.A N GLU 50.A OE2 no hydrogen 2.844 N/A SER 47.A N ASP 45.A OD1 no hydrogen 2.885 N/A SER 47.A OG ASP 45.A OD1 no hydrogen 2.682 N/A SER 47.A OG ASP 45.A OD2 no hydrogen 3.521 N/A GLU 50.A N SER 47.A OG no hydrogen 3.010 N/A TYR 51.A N SER 47.A O no hydrogen 3.067 N/A GLY 52.A N GLU 48.A O no hydrogen 2.970 N/A ARG 53.A N GLU 49.A O no hydrogen 3.025 N/A LEU 54.A N GLU 50.A O no hydrogen 2.866 N/A LEU 55.A N TYR 51.A O no hydrogen 2.938 N/A ALA 56.A N GLY 52.A O no hydrogen 2.975 N/A HIS 57.A N ARG 53.A O no hydrogen 2.846 N/A MET 58.A N LEU 54.A O no hydrogen 2.947 N/A GLN 59.A N LEU 55.A O no hydrogen 2.880 N/A GLU 60.A N ALA 56.A O no hydrogen 2.821 N/A GLU 61.A N HIS 57.A O no hydrogen 3.004 N/A GLY 62.A N GLN 59.A O no hydrogen 3.115 N/A VAL 63.A N MET 58.A O no hydrogen 2.887 N/A ARG 65.A N LEU 75.A O no hydrogen 2.861 N/A ARG 65.A NE GLU 360.A OE1 no hydrogen 2.847 N/A ARG 65.A NH2 GLU 360.A OE1 no hydrogen 3.415 N/A ARG 65.A NH2 GLU 360.A OE2 no hydrogen 2.777 N/A LEU 67.A N CYS 73.A O no hydrogen 2.917 N/A LYS 69.A N GLY 364.A O no hydrogen 2.988 N/A LYS 69.A NZ ASP 363.A OD2 no hydrogen 2.750 N/A TYR 70.A N LEU 67.A O no hydrogen 3.243 N/A ASN 72.A ND2 ASN 352.A OD1 no hydrogen 2.949 N/A CYS 73.A SG ASP 71.A O no hydrogen 3.584 N/A CYS 73.A SG ILE 349.A O no hydrogen 3.791 N/A TRP 74.A N THR 353.A O no hydrogen 3.009 N/A TRP 74.A NE1 ASN 72.A OD1 no hydrogen 2.836 N/A LEU 75.A N ARG 65.A O no hydrogen 2.840 N/A ALA 76.A N PHE 355.A O no hydrogen 2.831 N/A THR 78.A N ASN 357.A OD1 no hydrogen 2.839 N/A THR 78.A OG1 ASP 79.A O no hydrogen 2.955 N/A THR 78.A OG1 ASP 82.A O.A no hydrogen 2.923 N/A ARG 81.A N ASP 79.A OD1 no hydrogen 2.901 N/A ARG 81.A NE ASP 79.A OD1 no hydrogen 3.114 N/A ARG 81.A NE ASP 79.A OD2 no hydrogen 3.318 N/A ARG 81.A NH2 ASP 79.A OD2 no hydrogen 2.844 N/A ASP 82.A N.A ASP 79.A O no hydrogen 2.878 N/A ASP 82.A N.B ASP 79.A O no hydrogen 2.969 N/A ALA 84.A N.A ASP 82.A O.B no hydrogen 3.338 N/A ALA 84.A N.B ARG 81.A O no hydrogen 3.374 N/A LYS 89.A N ILE 86.A O.A no hydrogen 3.000 N/A LYS 89.A N ILE 86.A O.B no hydrogen 2.957 N/A THR 90.A N GLU 87.A O no hydrogen 3.043 N/A THR 90.A OG1 ILE 86.A O.A no hydrogen 2.629 N/A THR 90.A OG1 ILE 86.A O.B no hydrogen 2.854 N/A VAL 91.A N ILE 217.A O no hydrogen 2.875 N/A ILE 92.A N ARG 113.A O no hydrogen 3.031 N/A ILE 93.A N HIS 219.A O no hydrogen 2.863 N/A THR 94.A OG1 GLU 96.A O no hydrogen 2.783 N/A THR 94.A OG1 THR 100.A OG1 no hydrogen 2.802 N/A ARG 98.A NE ASP 593.A OD1 no hydrogen 3.309 N/A ARG 98.A NE ASP 593.A OD2 no hydrogen 3.037 N/A ARG 98.A NH2 ASP 593.A OD1 no hydrogen 2.978 N/A ASP 99.A N GLU 96.A O no hydrogen 3.126 N/A THR 100.A N GLN 97.A O no hydrogen 2.907 N/A THR 100.A OG1 THR 94.A OG1 no hydrogen 2.802 N/A VAL 101.A N GLN 97.A O no hydrogen 3.073 N/A LYS 105.A N ASP 588.A O no hydrogen 2.913 N/A LYS 105.A NZ GLU 587.A OE2 no hydrogen 2.436 N/A SER 106.A N ASP 588.A OD1 no hydrogen 2.907 N/A SER 106.A OG ASP 588.A OD1 no hydrogen 3.204 N/A SER 106.A OG ASP 588.A OD2 no hydrogen 3.548 N/A GLY 107.A N PRO 104.A O no hydrogen 3.198 N/A GLN 108.A N SER 106.A OG no hydrogen 3.263 N/A GLN 110.A N GLN 589.A OE1 no hydrogen 2.771 N/A LEU 111.A N SER 109.A OG no hydrogen 2.925 N/A ARG 113.A NE GLU 87.A OE1.A no hydrogen 2.978 N/A ARG 113.A NH2 GLU 87.A OE1.A no hydrogen 3.479 N/A ARG 113.A NH2 GLU 87.A OE2.A no hydrogen 2.861 N/A TRP 114.A NE1 THR 94.A O no hydrogen 2.924 N/A MET 115.A N ILE 92.A O no hydrogen 3.052 N/A ASP 119.A N SER 116.A OG no hydrogen 2.979 N/A PHE 120.A N SER 116.A O no hydrogen 2.905 N/A GLU 121.A N GLU 117.A O no hydrogen 2.864 N/A LYS 122.A N GLU 118.A O no hydrogen 3.213 N/A ALA 123.A N ASP 119.A O no hydrogen 3.001 N/A PHE 124.A N PHE 120.A O no hydrogen 2.797 N/A ASN 125.A N GLU 121.A O no hydrogen 2.931 N/A ALA 126.A N LYS 122.A O no hydrogen 3.108 N/A ALA 126.A N ALA 123.A O no hydrogen 3.215 N/A ARG 127.A N PHE 124.A O no hydrogen 2.950 N/A ARG 127.A NE LEU 214.A O no hydrogen 2.767 N/A ARG 127.A NH1 ALA 123.A O no hydrogen 2.979 N/A PHE 128.A N PHE 124.A O no hydrogen 2.962 N/A GLY 130.A N LEU 35.A O no hydrogen 2.865 N/A CYS 131.A N PHE 128.A O no hydrogen 2.982 N/A CYS 131.A SG PHE 128.A O no hydrogen 3.278 N/A CYS 131.A SG SER 193.A OG no hydrogen 3.402 N/A MET 132.A N CYS 36.A O no hydrogen 2.864 N/A LYS 133.A N GLY 130.A O no hydrogen 3.212 N/A LYS 133.A NZ GLN 37.A OE1.B no hydrogen 3.463 N/A ARG 135.A N MET 132.A O no hydrogen 2.869 N/A ARG 135.A NE CYS 196.A O no hydrogen 2.916 N/A ARG 135.A NH2 CYS 196.A O no hydrogen 2.749 N/A MET 137.A N TYR 40.A O no hydrogen 2.814 N/A TYR 138.A N THR 159.A O no hydrogen 2.768 N/A VAL 139.A N HIS 42.A O no hydrogen 2.870 N/A ILE 140.A N GLU 157.A O no hydrogen 2.744 N/A PHE 142.A N GLY 155.A O no hydrogen 2.928 N/A SER 143.A N ARG 173.A O no hydrogen 2.781 N/A SER 143.A OG GLY 145.A O no hydrogen 2.904 N/A MET 144.A N LYS 153.A O no hydrogen 2.861 N/A GLY 145.A N PRO 326.A O no hydrogen 2.892 N/A SER 149.A N PRO 146.A O no hydrogen 3.013 N/A SER 149.A OG PRO 421.A O no hydrogen 2.769 N/A LEU 151.A N SER 149.A OG no hydrogen 3.022 N/A ALA 152.A N SER 149.A O no hydrogen 2.975 N/A LYS 153.A N MET 144.A O no hydrogen 2.961 N/A LYS 153.A NZ.A GLU 256.A OE1 no hydrogen 3.406 N/A GLY 155.A N PHE 142.A O no hydrogen 2.840 N/A ILE 156.A N ILE 188.A O no hydrogen 3.008 N/A GLU 157.A N ILE 140.A O no hydrogen 2.902 N/A LEU 158.A N CYS 190.A O no hydrogen 2.859 N/A THR 159.A N TYR 138.A O no hydrogen 3.077 N/A THR 159.A OG1 HIS 192.A ND1 no hydrogen 2.727 N/A SER 161.A N THR 159.A OG1 no hydrogen 3.057 N/A TYR 163.A OH THR 356.A OG1 no hydrogen 2.609 N/A VAL 164.A N SER 161.A OG no hydrogen 3.119 N/A VAL 165.A N SER 161.A O no hydrogen 3.195 N/A ALA 166.A N PRO 162.A O no hydrogen 2.921 N/A SER 167.A N TYR 163.A O no hydrogen 3.030 N/A SER 167.A OG TYR 163.A O no hydrogen 2.978 N/A MET 168.A N VAL 164.A O no hydrogen 2.772 N/A ARG 169.A N VAL 165.A O no hydrogen 2.989 N/A ARG 169.A NE GLY 46.A O no hydrogen 3.061 N/A ARG 169.A NH1 GLU 48.A OE1 no hydrogen 3.236 N/A ARG 169.A NH2 GLY 46.A O no hydrogen 2.951 N/A ARG 169.A NH2 GLU 48.A OE1 no hydrogen 3.095 N/A ILE 170.A N ALA 166.A O no hydrogen 3.399 N/A MET 171.A N SER 167.A O no hydrogen 2.901 N/A THR 172.A N MET 168.A O no hydrogen 2.937 N/A THR 172.A OG1 MET 168.A O no hydrogen 2.754 N/A ARG 173.A N SER 143.A O no hydrogen 3.300 N/A ARG 173.A NH1 GLU 327.A O no hydrogen 2.971 N/A ARG 173.A NH2 GLU 419.A OE1 no hydrogen 2.858 N/A GLY 175.A N PRO 141.A O no hydrogen 2.919 N/A THR 176.A N ASP 45.A O no hydrogen 3.036 N/A VAL 178.A N GLY 175.A O no hydrogen 2.993 N/A LEU 179.A N GLY 175.A O no hydrogen 3.423 N/A GLU 180.A N THR 176.A O no hydrogen 2.917 N/A ALA 181.A N SER 177.A O no hydrogen 2.931 N/A LEU 182.A N VAL 178.A O no hydrogen 2.738 N/A GLY 183.A N LEU 179.A O no hydrogen 3.074 N/A GLY 185.A N LEU 182.A O no hydrogen 2.987 N/A ILE 188.A N ILE 154.A O no hydrogen 3.006 N/A LYS 189.A N ARG 224.A O no hydrogen 3.021 N/A LYS 189.A NZ.B ARG 223.A O no hydrogen 3.019 N/A LYS 189.A NZ.B GLU 225.A OE2.A no hydrogen 2.531 N/A CYS 190.A N ILE 156.A O no hydrogen 2.925 N/A CYS 190.A SG ILE 188.A O no hydrogen 3.811 N/A LEU 191.A N ILE 226.A O no hydrogen 2.856 N/A HIS 192.A N LEU 158.A O no hydrogen 2.796 N/A HIS 192.A ND1 THR 159.A OG1 no hydrogen 2.727 N/A HIS 192.A NE2 SER 231.A O no hydrogen 2.805 N/A SER 193.A N SER 228.A O no hydrogen 3.070 N/A SER 193.A OG ASP 160.A OD2 no hydrogen 2.749 N/A VAL 194.A N ASP 160.A OD1 no hydrogen 2.857 N/A GLY 195.A N SER 193.A OG no hydrogen 2.916 N/A CYS 196.A SG VAL 194.A O no hydrogen 3.819 N/A CYS 196.A SG CYS 210.A O no hydrogen 3.038 N/A LEU 198.A N LYS 133.A O no hydrogen 2.811 N/A ASN 206.A ND2 THR 78.A O no hydrogen 3.306 N/A ASN 207.A ND2 GLU 61.A O no hydrogen 2.847 N/A TRP 208.A N VAL 205.A O no hydrogen 3.037 N/A TRP 208.A NE1 ASP 82.A OD2.A no hydrogen 2.859 N/A TRP 208.A NE1 ASP 82.A OD2.B no hydrogen 2.564 N/A CYS 210.A SG ASP 79.A OD2 no hydrogen 3.536 N/A CYS 210.A SG TRP 208.A O no hydrogen 3.840 N/A ASN 211.A N GLY 230.A O no hydrogen 2.764 N/A ASN 211.A ND2 GLY 195.A O no hydrogen 2.957 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.736 N/A LEU 214.A N ASN 211.A O no hydrogen 3.238 N/A LEU 214.A N ASN 211.A OD1 no hydrogen 3.350 N/A THR 215.A N PRO 212.A O no hydrogen 3.187 N/A THR 215.A OG1 ASN 211.A O no hydrogen 2.812 N/A THR 215.A OG1 PRO 212.A O no hydrogen 3.456 N/A LEU 216.A N PHE 229.A O no hydrogen 3.006 N/A ILE 217.A N LYS 89.A O no hydrogen 2.790 N/A ALA 218.A N ILE 227.A O no hydrogen 2.801 N/A HIS 219.A N VAL 91.A O no hydrogen 2.993 N/A HIS 219.A ND1 VAL 91.A O no hydrogen 2.879 N/A LEU 220.A N GLU 225.A O no hydrogen 2.810 N/A ARG 223.A N LEU 220.A O no hydrogen 2.978 N/A ARG 223.A NE GLU 225.A OE1.A no hydrogen 3.401 N/A ARG 223.A NE GLU 225.A OE1.B no hydrogen 2.745 N/A ARG 224.A N PRO 221.A O no hydrogen 3.103 N/A ARG 224.A NH1.B PRO 221.A O no hydrogen 2.993 N/A GLU 225.A N LEU 220.A O no hydrogen 3.124 N/A ILE 226.A N LYS 189.A O no hydrogen 2.835 N/A ILE 227.A N ALA 218.A O no hydrogen 2.870 N/A SER 228.A N LEU 191.A O no hydrogen 2.818 N/A SER 228.A OG ASN 236.A O no hydrogen 2.674 N/A PHE 229.A N LEU 216.A O no hydrogen 2.870 N/A GLY 230.A N SER 193.A O no hydrogen 2.763 N/A SER 231.A OG ASP 82.A OD1.A no hydrogen 2.495 N/A SER 231.A OG ASP 82.A OD1.B no hydrogen 2.764 N/A SER 231.A OG ASP 82.A OD2.A no hydrogen 3.502 N/A GLY 232.A N ASP 82.A OD2.A no hydrogen 2.845 N/A GLY 232.A N ASP 82.A OD2.B no hydrogen 2.706 N/A TYR 233.A N SER 231.A OG no hydrogen 3.119 N/A ASN 236.A N TYR 233.A O no hydrogen 2.800 N/A ASN 236.A ND2 ALA 84.A O.A no hydrogen 3.186 N/A ASN 236.A ND2 SER 231.A OG no hydrogen 2.897 N/A SER 237.A N GLY 234.A O no hydrogen 3.112 N/A SER 237.A OG GLY 232.A O no hydrogen 2.895 N/A LEU 238.A N GLY 234.A O no hydrogen 2.816 N/A LEU 239.A N GLU 157.A OE1 no hydrogen 3.053 N/A LYS 241.A N LEU 238.A O no hydrogen 3.291 N/A LYS 241.A NZ ASP 309.A OD2 no hydrogen 2.767 N/A LYS 241.A NZ GLU 327.A OE1 no hydrogen 3.110 N/A LYS 241.A NZ GLU 327.A OE2 no hydrogen 2.849 N/A LYS 242.A NZ.A HIS 262.A NE2 no hydrogen 3.132 N/A LYS 242.A NZ.A ASP 309.A OD1 no hydrogen 3.175 N/A LYS 242.A NZ.A ASP 309.A OD2 no hydrogen 2.704 N/A CYS 243.A SG HIS 219.A NE2 no hydrogen 3.359 N/A CYS 243.A SG GLY 235.A O no hydrogen 3.925 N/A PHE 244.A N LEU 239.A O no hydrogen 3.005 N/A ALA 245.A N GLY 240.A O no hydrogen 2.877 N/A LEU 246.A N LYS 242.A O no hydrogen 3.138 N/A ARG 247.A N LYS 242.A O no hydrogen 2.950 N/A ARG 247.A NE PRO 474.A O no hydrogen 3.041 N/A ARG 247.A NH1 HIS 219.A NE2 no hydrogen 3.023 N/A ARG 247.A NH2 PRO 474.A O no hydrogen 2.944 N/A ILE 248.A N CYS 243.A O no hydrogen 2.916 N/A ALA 249.A N PHE 244.A O no hydrogen 2.803 N/A SER 250.A N LEU 246.A O no hydrogen 2.867 N/A SER 250.A OG LEU 246.A O no hydrogen 2.880 N/A SER 250.A OG ARG 247.A O no hydrogen 3.105 N/A ARG 251.A NH1 ASP 222.A OD1 no hydrogen 3.053 N/A ARG 251.A NH1 ASP 222.A OD2 no hydrogen 3.403 N/A ARG 251.A NH2 ASP 222.A OD1 no hydrogen 2.642 N/A LEU 252.A N ILE 248.A O no hydrogen 3.058 N/A ALA 253.A N ALA 249.A O no hydrogen 2.721 N/A LYS 254.A N SER 250.A O no hydrogen 2.981 N/A GLU 255.A N ARG 251.A O no hydrogen 3.142 N/A GLU 256.A N LEU 252.A O no hydrogen 2.904 N/A GLU 256.A N ALA 253.A O no hydrogen 3.265 N/A GLY 257.A N ALA 253.A O no hydrogen 2.835 N/A TRP 258.A N ALA 253.A O no hydrogen 2.906 N/A TRP 258.A NE1 GLU 256.A OE1 no hydrogen 2.975 N/A LEU 259.A N MET 313.A O no hydrogen 2.774 N/A GLU 261.A N ALA 311.A O no hydrogen 2.870 N/A HIS 262.A ND1 ALA 471.A O no hydrogen 2.778 N/A LEU 264.A N ALA 280.A O no hydrogen 2.946 N/A ILE 265.A N GLY 307.A O no hydrogen 2.940 N/A LEU 266.A N LEU 278.A O no hydrogen 2.920 N/A GLY 267.A N GLU 304.A O no hydrogen 2.766 N/A ILE 268.A N LYS 276.A O no hydrogen 2.767 N/A THR 269.A N LYS 302.A O no hydrogen 2.890 N/A ASN 270.A N LYS 274.A O no hydrogen 2.946 N/A ASN 270.A ND2 GLU 272.A OE1.A no hydrogen 2.998 N/A GLU 272.A N ASN 270.A OD1 no hydrogen 2.967 N/A GLY 273.A N ASN 270.A O no hydrogen 2.981 N/A LYS 274.A N ASN 270.A OD1 no hydrogen 2.941 N/A LYS 274.A NZ.B GLU 272.A OE1.A no hydrogen 1.326 N/A LYS 275.A NZ TYR 277.A OH no hydrogen 3.163 N/A LYS 275.A NZ GLU 304.A OE2 no hydrogen 3.159 N/A LYS 275.A NZ ASP 415.A OD1 no hydrogen 2.734 N/A LYS 276.A N ILE 268.A O no hydrogen 2.917 N/A LYS 276.A NZ GLU 427.A OE1 no hydrogen 2.843 N/A LYS 276.A NZ GLU 535.A OE2 no hydrogen 2.791 N/A TYR 277.A OH ASP 415.A OD1 no hydrogen 3.316 N/A TYR 277.A OH ASP 415.A OD2 no hydrogen 2.660 N/A LEU 278.A N LEU 266.A O no hydrogen 2.892 N/A ALA 279.A N GLY 428.A O no hydrogen 3.005 N/A ALA 280.A N LEU 264.A O no hydrogen 3.062 N/A ALA 281.A N ILE 430.A O no hydrogen 2.812 N/A CYS 286.A N PRO 283.A O no hydrogen 3.100 N/A CYS 286.A SG SER 284.A O no hydrogen 3.636 N/A CYS 286.A SG SER 460.A OG no hydrogen 3.387 N/A LYS 288.A NZ HIS 262.A NE2 no hydrogen 3.275 N/A LYS 288.A NZ PHE 282.A O no hydrogen 2.872 N/A THR 289.A OG1.A ASP 308.A OD2 no hydrogen 3.453 N/A THR 289.A OG1.B ASP 308.A OD2 no hydrogen 2.555 N/A ASN 290.A ND2 THR 341.A O no hydrogen 3.024 N/A LEU 291.A N GLY 287.A O no hydrogen 3.149 N/A ALA 292.A N LYS 288.A O no hydrogen 2.878 N/A MET 294.A N LEU 291.A O no hydrogen 3.187 N/A THR 297.A N GLY 521.A O no hydrogen 3.221 N/A THR 297.A OG1.A GLY 521.A O no hydrogen 3.289 N/A THR 297.A OG1.A GLU 522.A OE1 no hydrogen 2.833 N/A THR 297.A OG1.A SER 524.A OG no hydrogen 3.377 N/A LEU 298.A N SER 524.A OG no hydrogen 3.420 N/A TRP 301.A N LEU 298.A O no hydrogen 3.400 N/A LYS 302.A N THR 269.A O no hydrogen 2.976 N/A LYS 302.A NZ GLU 304.A OE1 no hydrogen 3.310 N/A GLU 304.A N GLY 267.A O no hydrogen 2.794 N/A CYS 305.A N ILE 413.A O no hydrogen 2.912 N/A VAL 306.A N ILE 265.A O no hydrogen 2.908 N/A GLY 307.A N ILE 265.A O no hydrogen 3.136 N/A ALA 311.A N GLU 261.A O no hydrogen 2.887 N/A TRP 312.A N ILE 324.A O no hydrogen 2.877 N/A TRP 312.A NE1 ALA 245.A O no hydrogen 2.886 N/A MET 313.A N LEU 259.A O no hydrogen 2.812 N/A LYS 314.A N ARG 322.A O no hydrogen 2.863 N/A ASP 316.A N ASN 320.A O no hydrogen 2.847 N/A GLN 318.A N ASP 316.A OD1 no hydrogen 2.856 N/A GLY 319.A N ASP 316.A O no hydrogen 3.052 N/A ASN 320.A N ASP 316.A OD1 no hydrogen 2.968 N/A ARG 322.A N LYS 314.A O no hydrogen 2.947 N/A ARG 322.A NE ASP 316.A OD2 no hydrogen 2.885 N/A ARG 322.A NH1 GLY 423.A O no hydrogen 2.903 N/A ALA 323.A N VAL 424.A O no hydrogen 2.810 N/A ILE 324.A N TRP 312.A O no hydrogen 2.816 N/A ASN 325.A ND2 VAL 306.A O no hydrogen 2.956 N/A GLU 327.A N ASN 325.A OD1 no hydrogen 2.867 N/A ASN 328.A N MET 171.A O no hydrogen 2.869 N/A ASN 328.A ND2 THR 172.A O no hydrogen 2.967 N/A PHE 330.A N THR 406.A O no hydrogen 2.908 N/A GLY 332.A N PHE 404.A O no hydrogen 2.887 N/A ALA 334.A N SER 402.A O no hydrogen 2.904 N/A GLY 336.A N GLU 369.A O no hydrogen 2.799 N/A THR 337.A N ALA 334.A O no hydrogen 2.961 N/A THR 337.A OG1 VAL 333.A O no hydrogen 3.131 N/A THR 337.A OG1 ALA 334.A O no hydrogen 2.929 N/A SER 338.A N THR 341.A OG1 no hydrogen 2.991 N/A SER 338.A OG THR 341.A OG1 no hydrogen 3.361 N/A THR 341.A N SER 338.A OG no hydrogen 3.042 N/A THR 341.A OG1 GLY 336.A O no hydrogen 2.653 N/A THR 341.A OG1 SER 338.A OG no hydrogen 3.361 N/A ASN 342.A N SER 338.A O no hydrogen 2.814 N/A ASN 342.A ND2 THR 289.A O no hydrogen 3.537 N/A ASN 344.A ND2 MET 293.A O no hydrogen 2.991 N/A ALA 345.A N ASN 342.A OD1 no hydrogen 3.007 N/A ILE 346.A N ASN 342.A O no hydrogen 3.138 N/A LYS 347.A N PRO 343.A O no hydrogen 3.109 N/A THR 348.A N ASN 344.A O no hydrogen 3.163 N/A THR 348.A N ALA 345.A O no hydrogen 3.013 N/A THR 348.A OG1 ASN 344.A O no hydrogen 2.775 N/A ILE 349.A N ALA 345.A O no hydrogen 3.092 N/A GLN 350.A NE2 ILE 346.A O no hydrogen 2.840 N/A ASN 352.A N ASP 71.A O no hydrogen 2.902 N/A ASN 352.A ND2 GLN 410.A OE1 no hydrogen 2.727 N/A THR 353.A OG1 LYS 351.A O no hydrogen 2.833 N/A THR 353.A OG1 THR 406.A OG1 no hydrogen 2.831 N/A ILE 354.A N CYS 405.A O no hydrogen 3.039 N/A PHE 355.A N TRP 74.A O no hydrogen 2.767 N/A THR 356.A N ARG 403.A O no hydrogen 2.842 N/A THR 356.A OG1 TYR 163.A OH no hydrogen 2.609 N/A ASN 357.A N ALA 76.A O no hydrogen 2.811 N/A ASN 357.A ND2 THR 78.A OG1 no hydrogen 2.996 N/A ALA 359.A N TYR 367.A O no hydrogen 2.924 N/A GLU 360.A N THR 382.A O no hydrogen 2.922 N/A THR 361.A N GLY 365.A O no hydrogen 2.884 N/A THR 361.A OG1 ASP 363.A OD1 no hydrogen 2.686 N/A SER 362.A N THR 380.A O no hydrogen 2.963 N/A GLY 364.A N THR 361.A O no hydrogen 2.837 N/A GLY 365.A N THR 361.A OG1 no hydrogen 2.961 N/A VAL 366.A N TYR 70.A OH no hydrogen 3.172 N/A TYR 367.A N ALA 359.A O no hydrogen 2.876 N/A TYR 367.A OH GLU 373.A O no hydrogen 2.547 N/A TRP 368.A NE1 THR 337.A O no hydrogen 2.840 N/A ILE 371.A N TRP 368.A O no hydrogen 3.218 N/A VAL 379.A N ALA 376.A O no hydrogen 2.982 N/A THR 380.A N SER 362.A OG no hydrogen 3.080 N/A THR 382.A N GLU 360.A O no hydrogen 2.840 N/A THR 382.A OG1 GLU 388.A OE2 no hydrogen 2.988 N/A SER 383.A N LYS 387.A O no hydrogen 2.763 N/A SER 383.A OG LYS 387.A O no hydrogen 3.435 N/A TRP 384.A N CYS 397.A O no hydrogen 2.889 N/A LYS 385.A N SER 383.A OG no hydrogen 3.108 N/A ASN 386.A N SER 383.A O no hydrogen 2.924 N/A TRP 389.A N ILE 381.A O no hydrogen 2.940 N/A TRP 389.A NE1 GLU 395.A O no hydrogen 2.833 N/A ARG 390.A N ASP 393.A OD2 no hydrogen 3.155 N/A GLN 392.A N GLN 392.A OE1 no hydrogen 2.938 N/A ASP 393.A N ARG 390.A O no hydrogen 2.969 N/A CYS 397.A N GLU 369.A OE2 no hydrogen 2.794 N/A CYS 397.A SG GLU 369.A OE1 no hydrogen 3.677 N/A CYS 397.A SG GLU 369.A OE2 no hydrogen 3.573 N/A ALA 398.A N GLU 369.A OE1 no hydrogen 3.141 N/A HIS 399.A N ASN 357.A O no hydrogen 3.014 N/A ASN 401.A N HIS 399.A ND1 no hydrogen 2.923 N/A ASN 401.A ND2 VAL 83.A O.A no hydrogen 3.123 N/A ASN 401.A ND2 TYR 233.A OH.A no hydrogen 2.942 N/A SER 402.A N HIS 399.A O no hydrogen 2.921 N/A SER 402.A OG HIS 399.A O no hydrogen 2.752 N/A ARG 403.A N THR 356.A O no hydrogen 3.112 N/A ARG 403.A NE ASN 401.A OD1 no hydrogen 3.316 N/A ARG 403.A NH1 PHE 331.A O no hydrogen 2.817 N/A ARG 403.A NH2 ASN 401.A OD1 no hydrogen 2.988 N/A PHE 404.A N GLY 332.A O no hydrogen 2.833 N/A CYS 405.A N ILE 354.A O no hydrogen 2.830 N/A CYS 405.A SG SER 167.A O no hydrogen 3.955 N/A THR 406.A N PHE 330.A O no hydrogen 3.027 N/A THR 406.A OG1 THR 348.A O no hydrogen 3.303 N/A THR 406.A OG1 THR 353.A OG1 no hydrogen 2.831 N/A ALA 408.A N ASN 328.A O no hydrogen 3.121 N/A GLN 410.A N PRO 407.A O no hydrogen 3.360 N/A GLN 410.A NE2 THR 348.A O no hydrogen 2.863 N/A GLN 410.A NE2 LYS 351.A O no hydrogen 2.956 N/A CYS 411.A N ALA 408.A O no hydrogen 3.042 N/A ILE 414.A N CYS 411.A O no hydrogen 3.078 N/A ASP 415.A N CYS 305.A O no hydrogen 2.832 N/A ALA 417.A N ASP 415.A OD2 no hydrogen 2.858 N/A TRP 418.A N ASP 415.A O no hydrogen 3.002 N/A SER 420.A N ALA 417.A O no hydrogen 3.038 N/A SER 420.A OG.B GLU 422.A OE1 no hydrogen 2.064 N/A GLU 422.A N GLU 422.A OE1 no hydrogen 2.623 N/A GLY 423.A N SER 420.A O no hydrogen 3.076 N/A VAL 424.A N ALA 323.A O no hydrogen 2.831 N/A ILE 426.A N LEU 321.A O no hydrogen 2.786 N/A GLU 427.A N TYR 277.A O no hydrogen 2.888 N/A ILE 429.A N LYS 500.A O no hydrogen 2.880 N/A ILE 430.A N ALA 279.A O no hydrogen 2.778 N/A PHE 431.A N PHE 502.A O no hydrogen 2.837 N/A ARG 434.A N SER 460.A OG no hydrogen 2.826 N/A ARG 434.A NE ALA 285.A O no hydrogen 2.877 N/A ARG 434.A NH1 ALA 285.A O no hydrogen 2.839 N/A ARG 435.A N ASN 505.A OD1 no hydrogen 3.300 N/A ARG 435.A NH1 GLU 578.A OE2 no hydrogen 2.829 N/A ARG 435.A NH2 GLU 578.A OE1 no hydrogen 2.845 N/A ARG 435.A NH2 GLU 578.A OE2 no hydrogen 3.492 N/A VAL 439.A N ALA 437.A O no hydrogen 2.951 N/A TYR 443.A N HIS 503.A O no hydrogen 2.892 N/A GLU 444.A N TYR 547.A O no hydrogen 2.792 N/A ALA 445.A N ILE 501.A O no hydrogen 2.830 N/A LEU 446.A N HIS 450.A ND1 no hydrogen 2.836 N/A TRP 448.A NE1 TRP 487.A O no hydrogen 2.965 N/A HIS 450.A N SER 447.A OG no hydrogen 2.978 N/A GLY 451.A N SER 447.A O no hydrogen 2.909 N/A VAL 452.A N TRP 448.A O no hydrogen 2.859 N/A PHE 453.A N GLN 449.A O no hydrogen 3.054 N/A VAL 454.A N HIS 450.A O no hydrogen 2.842 N/A GLY 455.A N GLY 451.A O no hydrogen 3.007 N/A ALA 456.A N VAL 452.A O no hydrogen 2.905 N/A ALA 457.A N PHE 453.A O no hydrogen 2.783 N/A MET 458.A N GLY 455.A O no hydrogen 3.350 N/A ARG 459.A NH1 GLU 578.A OE2 no hydrogen 2.985 N/A SER 460.A N MET 466.A O no hydrogen 2.890 N/A GLU 461.A N ARG 434.A O no hydrogen 2.891 N/A GLY 462.A N GLY 464.A O no hydrogen 2.853 N/A MET 466.A N SER 460.A O no hydrogen 2.945 N/A HIS 467.A NE2 GLU 581.A OE1 no hydrogen 2.520 N/A HIS 467.A NE2 GLU 581.A OE2 no hydrogen 3.090 N/A ASP 468.A N MET 458.A O no hydrogen 2.933 N/A PHE 470.A N GLY 455.A O no hydrogen 2.926 N/A ALA 471.A N ASP 468.A O no hydrogen 2.950 N/A MET 472.A N PRO 469.A O no hydrogen 2.860 N/A ARG 473.A N ASP 468.A OD1 no hydrogen 2.873 N/A ARG 473.A NE.B GLN 110.A O no hydrogen 3.171 N/A ARG 473.A NH1.A GLN 110.A O no hydrogen 3.056 N/A ARG 473.A NH2.A GLU 87.A OE2.B no hydrogen 2.151 N/A PHE 475.A N MET 472.A O no hydrogen 2.778 N/A GLY 477.A N SER 250.A OG no hydrogen 2.900 N/A ASN 479.A N ASP 99.A O no hydrogen 2.941 N/A ASN 479.A ND2 ARG 98.A O no hydrogen 2.867 N/A ASN 479.A ND2 ASP 593.A OD2 no hydrogen 2.920 N/A LYS 482.A N ASN 479.A OD1 no hydrogen 3.225 N/A LYS 482.A NZ ASP 593.A OD1 no hydrogen 3.065 N/A TYR 483.A N ASN 479.A O no hydrogen 2.962 N/A TYR 483.A OH GLU 261.A OE1 no hydrogen 2.614 N/A TYR 483.A OH GLU 261.A OE2 no hydrogen 3.404 N/A LEU 484.A N PHE 480.A O no hydrogen 2.898 N/A ALA 485.A N GLY 481.A O no hydrogen 3.024 N/A HIS 486.A N LYS 482.A O no hydrogen 2.870 N/A HIS 486.A NE2 TRP 258.A O no hydrogen 2.739 N/A TRP 487.A N TYR 483.A O no hydrogen 2.958 N/A TRP 487.A NE1 GLU 261.A OE2 no hydrogen 2.910 N/A LEU 488.A N LEU 484.A O no hydrogen 2.913 N/A SER 489.A N ALA 485.A O no hydrogen 2.944 N/A SER 489.A OG HIS 486.A O no hydrogen 2.712 N/A MET 490.A N TRP 487.A O no hydrogen 3.172 N/A ALA 491.A N LEU 488.A O no hydrogen 3.098 N/A HIS 492.A N SER 489.A O no hydrogen 2.859 N/A ARG 493.A N MET 490.A O no hydrogen 3.253 N/A ALA 496.A N ARG 493.A O no hydrogen 3.095 N/A LYS 497.A N GLY 319.A O no hydrogen 2.751 N/A LYS 497.A NZ GLN 318.A O no hydrogen 3.264 N/A LYS 500.A N GLU 427.A O no hydrogen 3.206 N/A LYS 500.A NZ GLU 444.A OE2 no hydrogen 2.790 N/A PHE 502.A N ILE 429.A O no hydrogen 2.927 N/A HIS 503.A N TYR 443.A O no hydrogen 2.838 N/A VAL 504.A N PHE 431.A O no hydrogen 2.812 N/A ASN 505.A N LEU 441.A O no hydrogen 2.869 N/A ASN 505.A ND2 ARG 435.A O no hydrogen 2.797 N/A ASN 505.A ND2 VAL 439.A O no hydrogen 2.944 N/A PHE 507.A N ASN 505.A OD1 no hydrogen 3.033 N/A ARG 508.A NH1 LEU 567.A O no hydrogen 2.941 N/A ARG 508.A NH1 GLY 569.A O no hydrogen 2.874 N/A ARG 508.A NH2 GLY 569.A O no hydrogen 3.243 N/A LYS 509.A N PRO 436.A O no hydrogen 2.809 N/A ASP 510.A N LYS 514.A O no hydrogen 2.864 N/A LYS 511.A NZ ASN 512.A OD1 no hydrogen 3.230 N/A ASN 512.A N ASP 510.A OD1 no hydrogen 2.849 N/A GLY 513.A N ASP 510.A O no hydrogen 2.996 N/A LYS 514.A N ASP 510.A OD1 no hydrogen 2.916 N/A LYS 514.A NZ PHE 515.A O no hydrogen 3.111 N/A LEU 516.A N ARG 508.A O no hydrogen 2.890 N/A TRP 517.A NE1 ASN 523.A OD1 no hydrogen 2.684 N/A GLU 522.A N GLY 519.A O no hydrogen 3.039 N/A ASN 523.A N PHE 520.A O no hydrogen 2.875 N/A SER 524.A N GLY 521.A O no hydrogen 3.125 N/A SER 524.A OG THR 297.A OG1.A no hydrogen 3.377 N/A SER 524.A OG GLY 521.A O no hydrogen 2.859 N/A ARG 525.A N GLU 522.A O no hydrogen 2.950 N/A ARG 525.A NE GLU 522.A OE1 no hydrogen 2.757 N/A ARG 525.A NH1 ASN 555.A O no hydrogen 2.826 N/A ARG 525.A NH1 LYS 557.A O no hydrogen 2.987 N/A ARG 525.A NH2 GLU 522.A OE1 no hydrogen 2.941 N/A ARG 525.A NH2 LYS 557.A O no hydrogen 3.096 N/A VAL 526.A N ASN 523.A O no hydrogen 2.905 N/A LEU 527.A N ASN 523.A O no hydrogen 3.035 N/A GLU 528.A N SER 524.A O no hydrogen 2.867 N/A TRP 529.A N ARG 525.A O no hydrogen 3.310 N/A TRP 529.A NE1 SER 539.A O no hydrogen 2.969 N/A MET 530.A N VAL 526.A O no hydrogen 3.004 N/A PHE 531.A N LEU 527.A O no hydrogen 2.880 N/A GLY 532.A N GLU 528.A O no hydrogen 3.001 N/A ARG 533.A N TRP 529.A O no hydrogen 2.920 N/A ARG 533.A NE GLU 444.A OE1 no hydrogen 2.750 N/A ARG 533.A NH1 GLU 537.A O no hydrogen 2.942 N/A ARG 533.A NH2 GLU 444.A OE1 no hydrogen 3.446 N/A ARG 533.A NH2 GLU 444.A OE2 no hydrogen 2.965 N/A ILE 534.A N MET 530.A O no hydrogen 2.868 N/A GLU 535.A N PHE 531.A O no hydrogen 2.970 N/A GLY 536.A N ARG 533.A O no hydrogen 3.051 N/A GLU 537.A N GLY 532.A O no hydrogen 2.891 N/A LYS 541.A N VAL 548.A O no hydrogen 2.770 N/A THR 543.A N GLY 546.A O no hydrogen 2.969 N/A THR 543.A OG1 GLY 546.A O no hydrogen 2.765 N/A ILE 545.A N THR 543.A OG1 no hydrogen 3.110 N/A GLY 546.A N THR 543.A O no hydrogen 3.143 N/A TYR 547.A N GLU 444.A O no hydrogen 2.942 N/A VAL 548.A N LYS 541.A O no hydrogen 2.871 N/A LYS 550.A N SER 539.A O no hydrogen 2.932 N/A LYS 550.A NZ ASP 538.A O no hydrogen 2.970 N/A LYS 550.A NZ ASP 538.A OD2 no hydrogen 3.315 N/A ALA 553.A N LYS 550.A O no hydrogen 2.901 N/A LYS 557.A N ASN 555.A OD1 no hydrogen 2.795 N/A LEU 559.A N LEU 556.A O no hydrogen 2.836 N/A VAL 562.A N LEU 559.A O no hydrogen 3.213 N/A GLU 566.A N ASN 563.A OD1 no hydrogen 3.133 N/A LEU 567.A N ASN 563.A O no hydrogen 2.948 N/A PHE 568.A N VAL 564.A O no hydrogen 2.961 N/A GLY 569.A N GLU 566.A O no hydrogen 3.381 N/A LYS 572.A NZ.A GLU 576.A OE2 no hydrogen 2.426 N/A LYS 572.A NZ.B MET 612.A O no hydrogen 2.840 N/A PHE 574.A N SER 571.A OG no hydrogen 3.033 N/A TRP 575.A N SER 571.A O no hydrogen 3.049 N/A GLU 576.A N LYS 572.A O no hydrogen 2.819 N/A LYS 577.A N GLU 573.A O no hydrogen 3.205 N/A GLU 578.A N PHE 574.A O no hydrogen 2.851 N/A VAL 579.A N TRP 575.A O no hydrogen 2.939 N/A GLU 580.A N GLU 576.A O no hydrogen 3.021 N/A GLU 581.A N LYS 577.A O no hydrogen 2.919 N/A ILE 582.A N GLU 578.A O no hydrogen 2.900 N/A ASP 583.A N VAL 579.A O no hydrogen 2.930 N/A LYS 584.A N GLU 580.A O no hydrogen 3.129 N/A TYR 585.A N GLU 581.A O no hydrogen 2.977 N/A LEU 586.A N ILE 582.A O no hydrogen 2.908 N/A GLU 587.A N ASP 583.A O no hydrogen 2.972 N/A ASP 588.A N LYS 584.A O no hydrogen 2.943 N/A GLN 589.A N TYR 585.A O no hydrogen 2.808 N/A GLN 589.A NE2 GLN 108.A O no hydrogen 2.919 N/A GLN 589.A NE2 ASP 588.A OD2 no hydrogen 2.967 N/A VAL 590.A N LEU 586.A O no hydrogen 2.836 N/A ASN 591.A N LEU 586.A O no hydrogen 2.885 N/A ASN 591.A ND2 ILE 103.A O no hydrogen 2.846 N/A ASN 591.A ND2 GLU 587.A O no hydrogen 3.523 N/A ASN 591.A ND2 ASP 588.A O no hydrogen 3.169 N/A ALA 592.A N ASN 591.A OD1 no hydrogen 2.721 N/A ASP 593.A N VAL 590.A O no hydrogen 2.922 N/A LEU 594.A N ASN 591.A O no hydrogen 3.042 N/A ILE 598.A N PRO 595.A O no hydrogen 3.000 N/A GLU 599.A N PRO 595.A O no hydrogen 3.349 N/A ARG 600.A N TYR 596.A O no hydrogen 2.867 N/A GLU 601.A N GLU 597.A O no hydrogen 2.987 N/A LEU 602.A N ILE 598.A O no hydrogen 2.943 N/A ARG 603.A N GLU 599.A O no hydrogen 2.994 N/A ARG 603.A NE.B GLN 607.A OE1 no hydrogen 3.289 N/A ARG 603.A NH1.B GLN 607.A OE1 no hydrogen 3.040 N/A ALA 604.A N ARG 600.A O no hydrogen 2.804 N/A LEU 605.A N GLU 601.A O no hydrogen 2.957 N/A LYS 606.A N LEU 602.A O no hydrogen 2.987 N/A LYS 606.A NZ.B ASP 583.A OD2 no hydrogen 2.514 N/A GLN 607.A N ARG 603.A O no hydrogen 2.833 N/A ARG 608.A N ALA 604.A O no hydrogen 2.915 N/A ARG 608.A NE PRO 544.A O no hydrogen 2.714 N/A ARG 608.A NH2 PRO 544.A O no hydrogen 3.390 N/A ILE 609.A N LEU 605.A O no hydrogen 2.907 N/A SER 610.A N LYS 606.A O no hydrogen 2.984 N/A SER 610.A OG.A GLN 607.A O no hydrogen 2.662 N/A GLN 611.A N ARG 608.A O no hydrogen 3.201 N/A GLN 611.A NE2 SER 610.A OG.A no hydrogen 2.885 N/A MET 612.A N ILE 609.A O no hydrogen 2.937 N/A