Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fu3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 THR 367.A OG1 no hydrogen 3.256 N/A CYS 4.A N ASP 2.A OD1 no hydrogen 2.874 N/A SER 5.A N ASP 2.A O no hydrogen 3.168 N/A SER 5.A OG ASP 52.A OD2 no hydrogen 2.485 N/A LEU 6.A N ASP 52.A OD1 no hydrogen 2.700 N/A ALA 7.A N SER 5.A OG no hydrogen 3.051 N/A SER 8.A N VAL 50.A O no hydrogen 2.864 N/A SER 8.A OG VAL 50.A O no hydrogen 3.504 N/A VAL 12.A N PRO 9.A O no hydrogen 2.901 N/A CYS 13.A N PRO 9.A O no hydrogen 3.254 N/A ARG 14.A N GLN 40.A O no hydrogen 2.835 N/A ARG 14.A NE ALA 10.A O no hydrogen 2.945 N/A THR 15.A N GLN 144.A OE1 no hydrogen 2.887 N/A THR 15.A OG1 GLN 144.A OE1 no hydrogen 2.791 N/A LYS 16.A N THR 38.A O no hydrogen 2.710 N/A HIS 17.A ND1 THR 152.A OG1 no hydrogen 2.604 N/A HIS 17.A NE2 THR 154.A OG1 no hydrogen 3.020 N/A LEU 18.A N THR 152.A O no hydrogen 3.016 N/A HIS 19.A N ALA 36.A O no hydrogen 2.766 N/A LEU 20.A N THR 154.A O no hydrogen 2.942 N/A ARG 21.A N THR 34.A O no hydrogen 2.999 N/A ARG 21.A NH2 GLU 179.A OE2 no hydrogen 3.080 N/A CYS 22.A N GLU 156.A O no hydrogen 3.066 N/A SER 23.A N THR 32.A O no hydrogen 2.787 N/A VAL 24.A N SER 158.A O no hydrogen 2.987 N/A ASP 25.A N THR 30.A O no hydrogen 2.887 N/A THR 27.A OG1 ASP 25.A OD1 no hydrogen 2.518 N/A ARG 28.A N ASP 25.A OD1 no hydrogen 2.968 N/A ARG 28.A NH1 GLU 104.A OE2 no hydrogen 2.783 N/A ARG 28.A NH2 GLU 104.A OE1 no hydrogen 2.880 N/A ARG 28.A NH2 GLU 104.A OE2 no hydrogen 3.510 N/A THR 30.A N ASP 25.A O no hydrogen 3.147 N/A LEU 31.A N THR 105.A OG1 no hydrogen 2.888 N/A THR 32.A N SER 23.A O no hydrogen 3.056 N/A THR 32.A OG1 GLU 104.A OE2 no hydrogen 2.556 N/A GLY 33.A N PHE 103.A O no hydrogen 3.151 N/A THR 34.A N ARG 21.A O no hydrogen 2.723 N/A ALA 35.A N ILE 101.A O no hydrogen 2.862 N/A ALA 36.A N HIS 19.A O no hydrogen 2.847 N/A LEU 37.A N ILE 99.A O no hydrogen 2.730 N/A THR 38.A N HIS 17.A O no hydrogen 2.888 N/A VAL 39.A N ILE 97.A O no hydrogen 2.797 N/A GLN 40.A N ARG 14.A O no hydrogen 2.714 N/A GLN 40.A NE2 GLN 42.A OE1 no hydrogen 2.990 N/A SER 41.A N GLN 95.A O no hydrogen 2.974 N/A SER 41.A OG GLU 43.A O no hydrogen 2.724 N/A GLN 42.A N VAL 12.A O no hydrogen 2.779 N/A GLU 43.A N SER 41.A OG no hydrogen 3.140 N/A LEU 46.A N LEU 91.A O no hydrogen 2.958 N/A ARG 47.A NE ASN 45.A OD1 no hydrogen 2.836 N/A ARG 47.A NH2 ASN 45.A OD1 no hydrogen 3.172 N/A SER 48.A OG GLU 84.A OE2 no hydrogen 3.337 N/A LEU 49.A N ILE 85.A O no hydrogen 3.129 N/A VAL 50.A N SER 8.A OG no hydrogen 2.724 N/A LEU 51.A N MET 83.A O no hydrogen 2.750 N/A ASP 52.A N CYS 143.A O no hydrogen 2.783 N/A THR 53.A N SER 81.A O no hydrogen 3.193 N/A THR 53.A OG1 SER 81.A O no hydrogen 2.597 N/A LYS 54.A N ARG 138.A O no hydrogen 2.854 N/A LYS 54.A NZ SER 110.A OG no hydrogen 2.794 N/A THR 57.A N GLU 104.A O no hydrogen 2.776 N/A GLU 59.A N SER 102.A O no hydrogen 2.880 N/A VAL 62.A N GLU 100.A O no hydrogen 2.845 N/A ILE 63.A N GLN 66.A O.A no hydrogen 2.868 N/A ILE 63.A N GLN 66.A O.B no hydrogen 2.932 N/A GLN 66.A N.A ILE 63.A O no hydrogen 3.055 N/A GLN 66.A N.B ILE 63.A O no hydrogen 3.051 N/A GLN 66.A NE2.B ILE 63.A O no hydrogen 2.997 N/A VAL 68.A N VAL 61.A O no hydrogen 2.831 N/A ALA 71.A N GLU 84.A O no hydrogen 2.825 N/A GLY 73.A N PRO 82.A O no hydrogen 2.793 N/A ARG 75.A NE SER 77.A O no hydrogen 3.077 N/A ARG 75.A NH1 ASP 55.A OD1 no hydrogen 2.606 N/A ARG 75.A NH1 ASP 55.A OD2 no hydrogen 3.262 N/A ARG 75.A NH2 ASP 55.A OD2 no hydrogen 3.287 N/A GLN 76.A N GLY 80.A O no hydrogen 2.798 N/A LYS 79.A N GLN 76.A O no hydrogen 3.008 N/A LYS 79.A NZ THR 3.A O no hydrogen 2.719 N/A GLY 80.A N SER 77.A O no hydrogen 3.029 N/A SER 81.A N THR 53.A O no hydrogen 2.789 N/A MET 83.A N LEU 51.A O no hydrogen 2.756 N/A GLU 84.A N ALA 71.A O no hydrogen 2.831 N/A ILE 85.A N LEU 49.A O no hydrogen 2.846 N/A SER 86.A N LYS 69.A O no hydrogen 2.863 N/A LEU 87.A N ARG 47.A O no hydrogen 2.842 N/A LEU 91.A N LEU 46.A O no hydrogen 2.859 N/A SER 92.A N GLN 95.A OE1 no hydrogen 2.930 N/A ASN 94.A N SER 41.A O no hydrogen 2.780 N/A GLN 95.A N SER 92.A O no hydrogen 3.056 N/A ILE 97.A N VAL 39.A O no hydrogen 2.972 N/A ILE 99.A N LEU 37.A O no hydrogen 2.837 N/A GLU 100.A N VAL 62.A O no hydrogen 2.913 N/A ILE 101.A N ALA 35.A O no hydrogen 2.767 N/A SER 102.A N LYS 60.A O no hydrogen 2.918 N/A PHE 103.A N GLY 33.A O no hydrogen 2.992 N/A GLU 104.A N THR 57.A O no hydrogen 2.791 N/A THR 105.A N LEU 31.A O no hydrogen 2.963 N/A SER 106.A N ASP 55.A O no hydrogen 3.171 N/A LYS 108.A N SER 106.A OG no hydrogen 2.978 N/A SER 109.A N SER 106.A O no hydrogen 2.928 N/A SER 109.A OG ALA 139.A O no hydrogen 2.807 N/A SER 110.A OG HIS 136.A ND1 no hydrogen 2.830 N/A ALA 111.A N SER 109.A OG no hydrogen 3.218 N/A LEU 112.A N SER 109.A O no hydrogen 3.213 N/A GLN 113.A N PHE 129.A O no hydrogen 3.067 N/A LEU 115.A N TYR 127.A O no hydrogen 2.838 N/A THR 116.A N GLN 119.A OE1 no hydrogen 2.953 N/A THR 116.A OG1 GLU 118.A OE2 no hydrogen 3.290 N/A THR 116.A OG1 GLN 119.A OE1 no hydrogen 3.280 N/A GLN 119.A N THR 116.A O no hydrogen 2.919 N/A GLN 119.A NE2 SER 591.A O no hydrogen 2.970 N/A THR 120.A N PRO 117.A O no hydrogen 2.892 N/A THR 120.A OG1 PRO 117.A O no hydrogen 2.721 N/A THR 120.A OG1 HIS 125.A O no hydrogen 3.394 N/A SER 121.A N GLU 220.A OE2 no hydrogen 2.795 N/A GLY 122.A N GLU 220.A OE1 no hydrogen 2.858 N/A LYS 123.A N THR 120.A OG1 no hydrogen 3.131 N/A LYS 123.A NZ GLU 118.A O no hydrogen 3.261 N/A LYS 123.A NZ THR 120.A O no hydrogen 3.173 N/A TYR 127.A N LEU 115.A O no hydrogen 3.172 N/A LEU 128.A N VAL 203.A O no hydrogen 2.754 N/A PHE 129.A N GLN 113.A O no hydrogen 3.283 N/A SER 130.A N LEU 201.A O no hydrogen 2.979 N/A SER 130.A OG LEU 201.A O no hydrogen 3.375 N/A GLN 131.A N ALA 111.A O no hydrogen 2.870 N/A CYS 132.A SG ILE 199.A O no hydrogen 3.456 N/A HIS 136.A N CYS 132.A O no hydrogen 2.695 N/A HIS 136.A ND1 SER 110.A OG no hydrogen 2.830 N/A HIS 136.A NE2 ASP 372.A OD2 no hydrogen 2.683 N/A CYS 137.A SG CYS 196.A O no hydrogen 3.531 N/A ARG 138.A N ASP 145.A OD2 no hydrogen 3.099 N/A ARG 138.A NE ASP 145.A OD2 no hydrogen 2.854 N/A ARG 138.A NH1 CYS 4.A O no hydrogen 2.956 N/A ARG 138.A NH1 LYS 79.A O no hydrogen 2.812 N/A ARG 138.A NH2 CYS 4.A O no hydrogen 2.865 N/A ARG 138.A NH2 ASP 145.A O no hydrogen 3.030 N/A ALA 139.A N HIS 136.A O no hydrogen 2.837 N/A ILE 140.A N CYS 137.A O no hydrogen 2.793 N/A LEU 141.A N CYS 137.A O no hydrogen 2.999 N/A CYS 143.A N ASP 52.A O no hydrogen 3.302 N/A CYS 143.A SG LEU 141.A O no hydrogen 3.408 N/A GLN 144.A NE2 SER 8.A O no hydrogen 2.894 N/A GLN 144.A NE2 CYS 13.A O no hydrogen 2.888 N/A ASP 145.A N ASP 52.A OD2 no hydrogen 3.041 N/A THR 146.A N GLN 144.A O no hydrogen 2.827 N/A THR 146.A OG1 ASP 2.A OD2 no hydrogen 2.585 N/A THR 146.A OG1 SER 148.A OG no hydrogen 2.763 N/A SER 148.A N THR 146.A OG1 no hydrogen 3.327 N/A SER 148.A OG THR 146.A OG1 no hydrogen 2.763 N/A VAL 149.A N THR 146.A O no hydrogen 3.397 N/A LYS 150.A NZ THR 304.A OG1 no hydrogen 2.725 N/A LYS 150.A NZ LYS 414.A O no hydrogen 2.962 N/A LEU 151.A N ILE 194.A O no hydrogen 2.845 N/A THR 152.A N LYS 16.A O no hydrogen 3.067 N/A THR 152.A OG1 LYS 16.A O no hydrogen 3.458 N/A THR 152.A OG1 HIS 17.A ND1 no hydrogen 2.604 N/A TYR 153.A N GLN 190.A O no hydrogen 3.075 N/A TYR 153.A OH SER 168.A OG no hydrogen 2.740 N/A THR 154.A N LEU 18.A O no hydrogen 2.951 N/A THR 154.A OG1 HIS 17.A NE2 no hydrogen 3.020 N/A ALA 155.A N PHE 188.A O no hydrogen 2.940 N/A GLU 156.A N LEU 20.A O no hydrogen 2.814 N/A VAL 157.A N TYR 186.A O no hydrogen 2.848 N/A SER 158.A N CYS 22.A O no hydrogen 2.866 N/A SER 158.A OG ASP 177.A OD2 no hydrogen 2.649 N/A VAL 159.A N LYS 184.A O no hydrogen 2.826 N/A LYS 161.A N SER 182.A O no hydrogen 3.045 N/A LEU 163.A N PRO 160.A O no hydrogen 2.938 N/A VAL 164.A N GLY 204.A O no hydrogen 2.810 N/A LEU 166.A N VAL 202.A O no hydrogen 2.933 N/A SER 168.A N ALA 200.A O no hydrogen 3.281 N/A SER 168.A OG TYR 153.A OH no hydrogen 2.740 N/A SER 168.A OG LEU 198.A O no hydrogen 2.780 N/A ALA 169.A N MET 167.A O no hydrogen 2.875 N/A ILE 170.A N ILE 189.A O no hydrogen 2.907 N/A ASP 172.A N LYS 187.A O no hydrogen 2.831 N/A THR 175.A N ILE 185.A O no hydrogen 2.996 N/A THR 175.A OG1 PRO 176.A O no hydrogen 3.299 N/A ASP 177.A N ARG 183.A O no hydrogen 3.039 N/A GLU 179.A N ASP 177.A OD1 no hydrogen 3.245 N/A ASP 180.A N ASP 177.A O no hydrogen 3.065 N/A SER 182.A N ASP 180.A OD1 no hydrogen 3.151 N/A SER 182.A OG ASP 180.A OD1 no hydrogen 2.682 N/A ARG 183.A N ASP 180.A O no hydrogen 2.934 N/A ARG 183.A NE SER 158.A OG no hydrogen 2.910 N/A ARG 183.A NH2 VAL 24.A O no hydrogen 2.478 N/A ARG 183.A NH2 SER 158.A O no hydrogen 2.991 N/A LYS 184.A N VAL 159.A O no hydrogen 2.832 N/A LYS 184.A NZ GLU 174.A OE1 no hydrogen 2.864 N/A ILE 185.A N THR 175.A O no hydrogen 2.762 N/A TYR 186.A N VAL 157.A O no hydrogen 2.844 N/A TYR 186.A OH LEU 163.A O no hydrogen 3.031 N/A LYS 187.A N GLY 173.A O no hydrogen 2.820 N/A PHE 188.A N ALA 155.A O no hydrogen 2.907 N/A ILE 189.A N ILE 170.A O no hydrogen 3.014 N/A GLN 190.A N TYR 153.A O no hydrogen 2.724 N/A GLN 190.A NE2 SER 168.A O no hydrogen 3.050 N/A VAL 192.A N GLN 190.A OE1 no hydrogen 3.127 N/A ILE 194.A N LEU 151.A O no hydrogen 2.818 N/A CYS 196.A SG GLN 144.A O no hydrogen 3.668 N/A CYS 196.A SG ASP 145.A OD1 no hydrogen 3.346 N/A LEU 198.A N PRO 195.A O no hydrogen 3.179 N/A ILE 199.A N CYS 196.A O no hydrogen 3.094 N/A ALA 200.A N SER 168.A OG no hydrogen 3.037 N/A LEU 201.A N SER 130.A OG no hydrogen 2.856 N/A VAL 202.A N LEU 166.A O no hydrogen 2.912 N/A VAL 203.A N LEU 128.A O no hydrogen 2.865 N/A GLY 204.A N VAL 164.A O no hydrogen 3.062 N/A GLU 207.A N SER 219.A O no hydrogen 2.762 N/A ARG 209.A N VAL 217.A O no hydrogen 2.895 N/A ILE 211.A N THR 215.A O no hydrogen 2.894 N/A GLY 212.A N THR 215.A O no hydrogen 3.317 N/A ARG 214.A NE GLU 235.A OE1 no hydrogen 2.899 N/A ARG 214.A NE GLU 235.A OE2 no hydrogen 3.394 N/A ARG 214.A NH1 GLU 242.A OE1 no hydrogen 3.307 N/A ARG 214.A NH1 GLU 242.A OE2 no hydrogen 3.496 N/A ARG 214.A NH2 GLU 235.A OE2 no hydrogen 2.994 N/A ARG 214.A NH2 GLU 242.A OE1 no hydrogen 2.767 N/A THR 215.A N GLY 212.A O no hydrogen 3.348 N/A THR 215.A OG1 TYR 253.A O no hydrogen 2.709 N/A LEU 216.A N ASP 254.A OD1 no hydrogen 2.839 N/A VAL 217.A N ARG 209.A O no hydrogen 2.772 N/A TRP 218.A N LEU 255.A O no hydrogen 2.654 N/A TRP 218.A NE1 ASP 254.A OD2 no hydrogen 3.306 N/A SER 219.A N GLU 207.A O no hydrogen 3.055 N/A SER 219.A OG VAL 257.A O no hydrogen 2.963 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 2.718 N/A GLN 223.A N GLU 220.A O no hydrogen 2.839 N/A GLN 223.A NE2 SER 121.A OG no hydrogen 2.599 N/A VAL 224.A N LYS 221.A O no hydrogen 3.247 N/A SER 227.A N GLN 223.A O no hydrogen 2.928 N/A SER 227.A OG GLN 223.A O no hydrogen 2.813 N/A ALA 228.A N VAL 224.A O no hydrogen 2.865 N/A TYR 229.A N GLU 225.A O no hydrogen 3.275 N/A GLU 230.A N LYS 226.A O no hydrogen 2.890 N/A PHE 231.A N SER 227.A O no hydrogen 3.082 N/A SER 232.A N TYR 229.A O no hydrogen 3.115 N/A SER 232.A OG TYR 229.A O no hydrogen 3.142 N/A THR 234.A N PHE 231.A O no hydrogen 3.103 N/A THR 234.A OG1 PHE 231.A O no hydrogen 2.661 N/A SER 236.A OG GLU 233.A O no hydrogen 2.881 N/A MET 237.A N GLU 233.A O no hydrogen 3.020 N/A LEU 238.A N THR 234.A O no hydrogen 2.831 N/A LYS 239.A N GLU 235.A O no hydrogen 2.927 N/A LYS 239.A NZ GLU 235.A OE2 no hydrogen 2.852 N/A ILE 240.A N SER 236.A O no hydrogen 3.046 N/A ALA 241.A N MET 237.A O no hydrogen 2.907 N/A GLU 242.A N LEU 238.A O no hydrogen 2.882 N/A ASP 243.A N LYS 239.A O no hydrogen 3.203 N/A LEU 244.A N ILE 240.A O no hydrogen 2.990 N/A GLY 245.A N ALA 241.A O no hydrogen 2.615 N/A GLY 246.A N GLU 242.A O no hydrogen 2.808 N/A TYR 248.A N GLU 242.A OE2 no hydrogen 3.335 N/A TYR 248.A OH GLN 252.A O no hydrogen 2.587 N/A TRP 250.A NE1 SER 297.A O no hydrogen 2.985 N/A GLN 252.A N TRP 250.A O no hydrogen 3.163 N/A GLN 252.A NE2 ASP 254.A OD1 no hydrogen 2.787 N/A TYR 253.A N ARG 214.A O no hydrogen 2.854 N/A TYR 253.A OH THR 273.A OG1 no hydrogen 2.860 N/A ASP 254.A N CYS 271.A O no hydrogen 2.968 N/A LEU 255.A N LEU 216.A O no hydrogen 2.981 N/A LEU 256.A N THR 273.A O no hydrogen 2.810 N/A VAL 257.A N TRP 218.A O no hydrogen 2.773 N/A LEU 258.A N VAL 275.A O no hydrogen 3.000 N/A SER 261.A OG GLN 113.A OE1 no hydrogen 2.652 N/A PHE 262.A N PRO 259.A O no hydrogen 3.217 N/A MET 267.A N PHE 274.A O no hydrogen 2.812 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.753 N/A ASN 269.A N MET 267.A O no hydrogen 2.854 N/A CYS 271.A SG TRP 250.A O no hydrogen 3.389 N/A LEU 272.A N ASN 269.A O no hydrogen 3.047 N/A THR 273.A N ASP 254.A O no hydrogen 2.987 N/A THR 273.A OG1 TYR 253.A OH no hydrogen 2.860 N/A PHE 274.A N MET 267.A O no hydrogen 2.976 N/A VAL 275.A N LEU 256.A O no hydrogen 2.852 N/A THR 276.A N GLY 265.A O no hydrogen 3.008 N/A THR 276.A OG1 THR 278.A OG1 no hydrogen 2.754 N/A THR 278.A N THR 276.A OG1 no hydrogen 3.010 N/A THR 278.A OG1 THR 276.A OG1 no hydrogen 2.754 N/A LEU 279.A N THR 276.A O no hydrogen 3.279 N/A LEU 280.A N PRO 277.A O no hydrogen 3.080 N/A ALA 281.A N LEU 279.A O no hydrogen 2.759 N/A GLY 282.A N GLU 230.A OE1 no hydrogen 2.705 N/A LYS 284.A N GLU 230.A OE2 no hydrogen 2.647 N/A LYS 284.A NZ SER 232.A OG no hydrogen 2.447 N/A SER 285.A N ASP 283.A OD1 no hydrogen 3.058 N/A SER 285.A OG ASP 283.A OD1 no hydrogen 2.654 N/A SER 287.A N LYS 284.A O no hydrogen 3.149 N/A SER 287.A OG GLU 233.A OE1 no hydrogen 3.119 N/A SER 287.A OG LYS 284.A O no hydrogen 3.259 N/A ASN 288.A ND2 GLU 322.A OE2 no hydrogen 2.930 N/A VAL 289.A N LEU 286.A O no hydrogen 3.294 N/A ALA 291.A N SER 287.A O no hydrogen 3.033 N/A HIS 292.A N ASN 288.A O no hydrogen 2.799 N/A HIS 292.A ND1 GLU 322.A OE1 no hydrogen 2.740 N/A GLU 293.A N VAL 289.A O no hydrogen 2.988 N/A ILE 294.A N ILE 290.A O no hydrogen 2.830 N/A SER 295.A N ALA 291.A O no hydrogen 2.955 N/A SER 295.A OG ALA 291.A O no hydrogen 2.902 N/A HIS 296.A N HIS 292.A O no hydrogen 3.245 N/A HIS 296.A ND1 THR 299.A O no hydrogen 2.908 N/A SER 297.A N ILE 294.A O no hydrogen 2.988 N/A SER 297.A OG ILE 294.A O no hydrogen 2.765 N/A TRP 298.A N SER 295.A O no hydrogen 2.994 N/A TRP 298.A NE1 GLY 246.A O no hydrogen 2.924 N/A THR 299.A N SER 295.A O no hydrogen 3.130 N/A THR 299.A OG1 SER 295.A O no hydrogen 3.369 N/A THR 299.A OG1 THR 318.A OG1 no hydrogen 2.788 N/A GLY 300.A N VAL 303.A O no hydrogen 2.678 N/A ASN 301.A N HIS 296.A O no hydrogen 2.905 N/A ASN 301.A ND2 GLU 268.A O no hydrogen 2.845 N/A LEU 302.A N TRP 298.A O no hydrogen 3.312 N/A VAL 303.A N TRP 298.A O no hydrogen 3.115 N/A THR 304.A N LYS 414.A O no hydrogen 3.046 N/A THR 304.A OG1 GLY 300.A O no hydrogen 2.804 N/A ASN 305.A N ASN 314.A OD1 no hydrogen 2.973 N/A LYS 306.A N ILE 416.A O no hydrogen 2.817 N/A ASP 309.A N THR 307.A OG1 no hydrogen 3.396 N/A HIS 310.A N THR 307.A O no hydrogen 3.246 N/A HIS 310.A ND1 THR 418.A OG1 no hydrogen 2.969 N/A PHE 311.A N TRP 308.A O no hydrogen 3.322 N/A TRP 312.A NE1 THR 418.A OG1 no hydrogen 2.822 N/A LEU 313.A N HIS 310.A O no hydrogen 2.898 N/A ASN 314.A ND2 TYR 197.A OH no hydrogen 3.031 N/A GLU 315.A N PHE 311.A O no hydrogen 3.088 N/A GLY 316.A N TRP 312.A O no hydrogen 2.656 N/A HIS 317.A ND1 LEU 313.A O no hydrogen 2.990 N/A THR 318.A N ASN 314.A O no hydrogen 3.367 N/A THR 318.A OG1 HIS 296.A ND1 no hydrogen 3.045 N/A THR 318.A OG1 THR 299.A OG1 no hydrogen 2.788 N/A THR 318.A OG1 ASN 314.A O no hydrogen 2.616 N/A VAL 319.A N GLU 315.A O no hydrogen 2.948 N/A TYR 320.A N GLY 316.A O no hydrogen 2.990 N/A TYR 320.A OH GLU 391.A OE1 no hydrogen 2.542 N/A LEU 321.A N HIS 317.A O no hydrogen 2.927 N/A GLU 322.A N THR 318.A O no hydrogen 2.783 N/A ARG 323.A N VAL 319.A O no hydrogen 2.935 N/A ARG 323.A NH1 GLU 381.A OE1 no hydrogen 2.929 N/A ARG 323.A NH2 GLU 381.A OE2 no hydrogen 2.792 N/A HIS 324.A N TYR 320.A O no hydrogen 3.179 N/A HIS 324.A NE2 TYR 320.A OH no hydrogen 3.010 N/A ILE 325.A N LEU 321.A O no hydrogen 2.904 N/A CYS 326.A N GLU 322.A O no hydrogen 3.005 N/A CYS 326.A SG GLU 322.A O no hydrogen 3.624 N/A GLY 327.A N ARG 323.A O no hydrogen 2.760 N/A ARG 328.A N HIS 324.A O no hydrogen 2.849 N/A ARG 328.A NH1 ASP 243.A OD2 no hydrogen 2.605 N/A ARG 328.A NH2 ASP 243.A OD2 no hydrogen 3.240 N/A LEU 329.A N ILE 325.A O no hydrogen 3.000 N/A PHE 330.A N CYS 326.A O no hydrogen 2.900 N/A GLY 331.A N GLY 327.A O no hydrogen 2.763 N/A ARG 335.A N GLY 331.A O no hydrogen 3.227 N/A ARG 335.A NE GLU 332.A OE1 no hydrogen 2.913 N/A ARG 335.A NH1 GLU 391.A OE1 no hydrogen 2.893 N/A ARG 335.A NH1 GLU 391.A OE2 no hydrogen 3.569 N/A ARG 335.A NH2 GLU 332.A OE2 no hydrogen 2.819 N/A ARG 335.A NH2 GLU 391.A OE1 no hydrogen 3.541 N/A ARG 335.A NH2 GLU 391.A OE2 no hydrogen 2.714 N/A HIS 336.A N GLU 332.A O no hydrogen 2.993 N/A PHE 337.A N LYS 333.A O no hydrogen 2.928 N/A ASN 338.A N PHE 334.A O no hydrogen 2.960 N/A ALA 339.A N ARG 335.A O no hydrogen 2.958 N/A LEU 340.A N HIS 336.A O no hydrogen 2.911 N/A GLY 341.A N PHE 337.A O no hydrogen 2.898 N/A GLY 342.A N ASN 338.A O no hydrogen 2.911 N/A TRP 343.A N ALA 339.A O no hydrogen 2.992 N/A GLY 344.A N LEU 340.A O no hydrogen 3.132 N/A GLU 345.A N GLY 341.A O no hydrogen 2.979 N/A LEU 346.A N GLY 342.A O no hydrogen 3.005 N/A GLN 347.A N TRP 343.A O no hydrogen 2.938 N/A ASN 348.A N GLY 344.A O no hydrogen 3.073 N/A SER 349.A N GLU 345.A O no hydrogen 3.000 N/A SER 349.A OG SER 377.A OG no hydrogen 2.641 N/A VAL 350.A N LEU 346.A O no hydrogen 2.964 N/A LYS 351.A N GLN 347.A O no hydrogen 2.842 N/A THR 352.A N ASN 348.A O no hydrogen 2.808 N/A THR 352.A OG1 ASN 348.A O no hydrogen 2.887 N/A PHE 353.A N SER 349.A O no hydrogen 2.802 N/A GLY 354.A N VAL 350.A O no hydrogen 2.734 N/A HIS 357.A N GLY 354.A O no hydrogen 3.035 N/A PHE 359.A N HIS 357.A ND1 no hydrogen 2.987 N/A THR 360.A N HIS 357.A O no hydrogen 3.033 N/A THR 360.A OG1 HIS 357.A O no hydrogen 2.758 N/A LYS 361.A N PRO 358.A O no hydrogen 3.300 N/A VAL 363.A N LEU 445.A O no hydrogen 2.938 N/A VAL 364.A N ASP 309.A O no hydrogen 3.404 N/A LEU 366.A N ASP 309.A OD1 no hydrogen 2.874 N/A THR 367.A N ASP 365.A OD1 no hydrogen 3.212 N/A THR 367.A OG1 THR 3.A OG1 no hydrogen 3.256 N/A THR 367.A OG1 ASP 365.A OD1 no hydrogen 2.809 N/A ILE 369.A N LEU 366.A O no hydrogen 2.961 N/A ASP 372.A N ASP 370.A OD1 no hydrogen 2.976 N/A VAL 373.A N ASP 370.A O no hydrogen 2.720 N/A ALA 374.A N ASP 370.A O no hydrogen 3.216 N/A TYR 375.A N PRO 371.A O no hydrogen 3.024 N/A TYR 375.A OH TYR 380.A OH no hydrogen 2.579 N/A SER 377.A OG SER 349.A OG no hydrogen 2.641 N/A VAL 378.A N SER 376.A OG no hydrogen 3.079 N/A TYR 380.A OH TYR 375.A OH no hydrogen 2.579 N/A GLU 381.A N SER 377.A O no hydrogen 2.881 N/A LYS 382.A N VAL 378.A O no hydrogen 2.828 N/A LYS 382.A NZ THR 360.A O no hydrogen 2.757 N/A LYS 382.A NZ GLY 449.A O no hydrogen 2.705 N/A PHE 384.A N TYR 380.A O no hydrogen 2.864 N/A ALA 385.A N GLU 381.A O no hydrogen 2.775 N/A LEU 386.A N LYS 382.A O no hydrogen 3.082 N/A LEU 387.A N GLY 383.A O no hydrogen 3.208 N/A PHE 388.A N PHE 384.A O no hydrogen 2.906 N/A TYR 389.A N ALA 385.A O no hydrogen 2.842 N/A LEU 390.A N LEU 386.A O no hydrogen 2.855 N/A GLU 391.A N LEU 387.A O no hydrogen 2.775 N/A GLN 392.A N PHE 388.A O no hydrogen 2.999 N/A GLN 392.A NE2 ASN 456.A O no hydrogen 2.605 N/A LEU 393.A N TYR 389.A O no hydrogen 2.904 N/A LEU 394.A N LEU 390.A O no hydrogen 2.846 N/A GLY 396.A N GLU 391.A O no hydrogen 2.782 N/A PHE 400.A N GLY 396.A O no hydrogen 3.024 N/A LEU 401.A N PRO 397.A O no hydrogen 2.824 N/A GLY 402.A N GLU 398.A O no hydrogen 3.283 N/A GLY 402.A N ILE 399.A O no hydrogen 3.120 N/A PHE 403.A N ILE 399.A O no hydrogen 3.316 N/A LEU 404.A N PHE 400.A O no hydrogen 2.936 N/A LYS 405.A N LEU 401.A O no hydrogen 2.984 N/A LYS 405.A NZ ASP 243.A O no hydrogen 2.887 N/A ALA 406.A N GLY 402.A O no hydrogen 3.139 N/A TYR 407.A N PHE 403.A O no hydrogen 2.809 N/A VAL 408.A N LEU 404.A O no hydrogen 3.048 N/A GLU 409.A N LYS 405.A O no hydrogen 3.011 N/A LYS 410.A N ALA 406.A O no hydrogen 2.803 N/A PHE 411.A N TYR 407.A O no hydrogen 3.033 N/A SER 412.A OG VAL 408.A O no hydrogen 2.481 N/A TYR 413.A N LEU 302.A O no hydrogen 2.820 N/A LYS 414.A N PHE 411.A O no hydrogen 2.936 N/A SER 415.A OG PRO 147.A O no hydrogen 2.682 N/A ILE 416.A N THR 304.A O no hydrogen 2.823 N/A THR 417.A N ASP 420.A OD2 no hydrogen 2.829 N/A THR 417.A OG1 ASP 420.A OD2 no hydrogen 3.365 N/A THR 418.A N HIS 310.A ND1 no hydrogen 3.259 N/A THR 418.A OG1 HIS 310.A ND1 no hydrogen 2.969 N/A ASP 419.A N THR 417.A OG1 no hydrogen 3.238 N/A TRP 421.A N THR 417.A O no hydrogen 3.141 N/A LYS 422.A N THR 418.A O no hydrogen 2.910 N/A ASP 423.A N ASP 419.A O no hydrogen 2.886 N/A PHE 424.A N ASP 420.A O no hydrogen 2.997 N/A LEU 425.A N TRP 421.A O no hydrogen 2.844 N/A TYR 426.A N LYS 422.A O no hydrogen 2.929 N/A SER 427.A N ASP 423.A O no hydrogen 2.920 N/A TYR 428.A N PHE 424.A O no hydrogen 2.788 N/A PHE 429.A N LEU 425.A O no hydrogen 2.972 N/A LYS 430.A N SER 427.A O no hydrogen 3.397 N/A LYS 432.A N PHE 429.A O no hydrogen 2.775 N/A LYS 432.A NZ LEU 394.A O no hydrogen 2.851 N/A LEU 436.A N LYS 432.A O no hydrogen 3.020 N/A ASN 437.A N VAL 433.A O no hydrogen 2.826 N/A GLN 438.A N VAL 435.A O no hydrogen 2.969 N/A GLN 438.A NE2 ASP 434.A O no hydrogen 3.547 N/A VAL 439.A N LEU 436.A O no hydrogen 3.217 N/A TRP 441.A NE1 TYR 426.A OH no hydrogen 3.119 N/A ALA 443.A N ASP 440.A OD1 no hydrogen 3.302 N/A TRP 444.A N ASP 440.A O no hydrogen 2.952 N/A LEU 445.A N TRP 441.A O no hydrogen 2.833 N/A TYR 446.A N ASN 442.A O no hydrogen 2.956 N/A SER 447.A N ALA 443.A O no hydrogen 3.345 N/A SER 447.A OG ASN 442.A O no hydrogen 3.457 N/A GLY 449.A N THR 360.A OG1 no hydrogen 2.669 N/A ASN 456.A N GLN 392.A OE1 no hydrogen 2.798 N/A ASP 458.A N HIS 336.A ND1 no hydrogen 2.896 N/A THR 460.A OG1 ASP 458.A OD1 no hydrogen 3.156 N/A THR 460.A OG1 ASP 458.A OD2 no hydrogen 2.789 N/A THR 462.A N MET 459.A O no hydrogen 2.851 N/A ASN 463.A N MET 459.A O no hydrogen 2.886 N/A CYS 465.A N THR 462.A O no hydrogen 3.032 N/A CYS 465.A SG LEU 461.A O no hydrogen 3.847 N/A CYS 465.A SG GLN 495.A O no hydrogen 3.320 N/A ILE 466.A N THR 462.A O no hydrogen 3.090 N/A ALA 467.A N ASN 463.A O no hydrogen 2.791 N/A LEU 468.A N ALA 464.A O no hydrogen 3.106 N/A SER 469.A N CYS 465.A O no hydrogen 3.008 N/A SER 469.A OG THR 503.A OG1 no hydrogen 3.003 N/A GLN 470.A N ILE 466.A O no hydrogen 2.890 N/A ARG 471.A N ALA 467.A O no hydrogen 2.980 N/A ARG 471.A NH1 ASP 487.A OD1 no hydrogen 3.394 N/A ARG 471.A NH2 SER 482.A O no hydrogen 3.560 N/A ARG 471.A NH2 SER 482.A OG no hydrogen 3.090 N/A TRP 472.A N LEU 468.A O no hydrogen 3.143 N/A TRP 472.A NE1 TYR 521.A OH no hydrogen 2.951 N/A ILE 473.A N SER 469.A O no hydrogen 2.963 N/A THR 474.A N GLN 470.A O no hydrogen 2.905 N/A THR 474.A OG1 GLN 470.A O no hydrogen 2.869 N/A ALA 475.A N TRP 472.A O no hydrogen 3.270 N/A LYS 476.A N ASP 479.A OD2 no hydrogen 2.778 N/A LYS 476.A NZ THR 474.A O no hydrogen 3.202 N/A ASP 479.A N LYS 476.A O no hydrogen 2.881 N/A LEU 480.A N GLU 477.A O no hydrogen 3.182 N/A SER 482.A N ASP 479.A O no hydrogen 3.012 N/A SER 482.A OG ASP 479.A O no hydrogen 2.743 N/A PHE 483.A N LEU 480.A O no hydrogen 3.220 N/A ASN 484.A N ASP 487.A OD2 no hydrogen 2.998 N/A ASN 484.A ND2 THR 486.A OG1 no hydrogen 2.571 N/A THR 486.A N ASN 484.A OD1 no hydrogen 3.257 N/A ASP 487.A N ASN 484.A O no hydrogen 2.828 N/A LEU 488.A N ALA 485.A O no hydrogen 3.138 N/A LYS 489.A N THR 486.A O no hydrogen 3.230 N/A LEU 491.A N LEU 488.A O no hydrogen 3.013 N/A SER 492.A N GLN 495.A OE1 no hydrogen 2.959 N/A SER 492.A OG GLN 495.A OE1 no hydrogen 3.399 N/A HIS 494.A NE2 SER 285.A O no hydrogen 3.057 N/A GLN 495.A N SER 492.A OG no hydrogen 3.137 N/A GLN 495.A NE2 LEU 461.A O no hydrogen 2.855 N/A LEU 496.A N SER 492.A O no hydrogen 2.872 N/A ASN 497.A N SER 493.A O no hydrogen 2.977 N/A GLU 498.A N HIS 494.A O no hydrogen 3.060 N/A PHE 499.A N GLN 495.A O no hydrogen 2.862 N/A LEU 500.A N LEU 496.A O no hydrogen 2.983 N/A ALA 501.A N ASN 497.A O no hydrogen 2.769 N/A GLN 502.A N GLU 498.A O no hydrogen 2.824 N/A GLN 502.A NE2 GLU 498.A OE2 no hydrogen 2.594 N/A THR 503.A N PHE 499.A O no hydrogen 3.089 N/A THR 503.A OG1 SER 469.A OG no hydrogen 3.003 N/A THR 503.A OG1 PHE 499.A O no hydrogen 2.811 N/A LEU 504.A N LEU 500.A O no hydrogen 2.839 N/A GLN 505.A N ALA 501.A O no hydrogen 3.244 N/A GLN 505.A NE2 GLN 347.A OE1 no hydrogen 3.680 N/A GLN 505.A NE2 ASN 348.A OD1 no hydrogen 2.778 N/A ARG 506.A N THR 503.A O no hydrogen 2.904 N/A ARG 506.A NH1 GLN 502.A O no hydrogen 2.867 N/A ARG 506.A NH1 GLN 502.A OE1 no hydrogen 3.085 N/A ALA 507.A N LEU 504.A O no hydrogen 3.093 N/A LEU 509.A N SER 542.A OG no hydrogen 3.077 N/A HIS 513.A N PRO 510.A O no hydrogen 2.911 N/A HIS 513.A NE2 ALA 475.A O no hydrogen 2.775 N/A ILE 514.A N PRO 510.A O no hydrogen 3.266 N/A LYS 515.A N LEU 511.A O no hydrogen 2.971 N/A ARG 516.A N GLY 512.A O no hydrogen 3.123 N/A ARG 516.A NE LEU 480.A O no hydrogen 2.795 N/A ARG 516.A NH1 GLU 519.A OE1 no hydrogen 2.872 N/A ARG 516.A NH2 LEU 480.A O no hydrogen 3.543 N/A ARG 516.A NH2 ASN 481.A O no hydrogen 3.236 N/A MET 517.A N HIS 513.A O no hydrogen 2.907 N/A GLN 518.A N ILE 514.A O no hydrogen 3.189 N/A GLU 519.A N LYS 515.A O no hydrogen 2.961 N/A VAL 520.A N ARG 516.A O no hydrogen 2.863 N/A TYR 521.A N MET 517.A O no hydrogen 2.769 N/A TYR 521.A OH ASP 487.A OD2 no hydrogen 2.631 N/A ASN 522.A N GLN 518.A O no hydrogen 2.927 N/A ASN 522.A ND2 GLN 518.A OE1 no hydrogen 2.940 N/A ALA 525.A N ASN 522.A O no hydrogen 3.037 N/A ILE 526.A N PHE 523.A O no hydrogen 3.088 N/A SER 529.A OG THR 278.A O no hydrogen 2.801 N/A ILE 531.A N ASN 528.A OD1 no hydrogen 3.072 N/A ARG 532.A N ASN 528.A O no hydrogen 2.835 N/A ARG 532.A NH1 ASN 524.A O no hydrogen 2.826 N/A ARG 532.A NH1 ILE 526.A O no hydrogen 3.300 N/A PHE 533.A N SER 529.A O no hydrogen 2.880 N/A ARG 534.A N GLU 530.A O no hydrogen 3.186 N/A ARG 534.A NH1 ASN 497.A OD1 no hydrogen 2.993 N/A ARG 534.A NH1 GLU 530.A O no hydrogen 3.335 N/A ARG 534.A NH1 GLU 530.A OE1 no hydrogen 2.754 N/A ARG 534.A NH2 GLU 530.A OE1 no hydrogen 3.497 N/A TRP 535.A N ILE 531.A O no hydrogen 2.921 N/A TRP 535.A NE1 ASN 524.A OD1 no hydrogen 2.710 N/A LEU 536.A N ARG 532.A O no hydrogen 2.891 N/A ARG 537.A N PHE 533.A O no hydrogen 2.988 N/A ARG 537.A NE ASP 570.A OD2 no hydrogen 2.754 N/A ARG 537.A NH2 ASP 570.A OD1 no hydrogen 2.985 N/A LEU 538.A N ARG 534.A O no hydrogen 2.824 N/A CYS 539.A N TRP 535.A O no hydrogen 2.979 N/A CYS 539.A SG TRP 535.A O no hydrogen 3.274 N/A ILE 540.A N LEU 536.A O no hydrogen 2.921 N/A GLN 541.A N ARG 537.A O no hydrogen 3.024 N/A GLN 541.A NE2 ASP 570.A OD2 no hydrogen 3.037 N/A SER 542.A N LEU 538.A O no hydrogen 3.061 N/A SER 542.A OG LEU 509.A O no hydrogen 3.389 N/A SER 542.A OG LEU 538.A O no hydrogen 2.920 N/A LYS 543.A N ILE 540.A O no hydrogen 2.821 N/A TRP 544.A N CYS 539.A O no hydrogen 2.938 N/A ALA 547.A N TRP 544.A O no hydrogen 3.040 N/A ILE 548.A N GLU 545.A O no hydrogen 3.029 N/A ALA 551.A N ALA 547.A O no hydrogen 2.878 N/A LEU 552.A N ILE 548.A O no hydrogen 2.892 N/A LYS 553.A N PRO 549.A O no hydrogen 2.989 N/A LYS 553.A NZ GLU 557.A OE1 no hydrogen 2.889 N/A LYS 553.A NZ GLU 557.A OE2 no hydrogen 3.253 N/A MET 554.A N LEU 550.A O no hydrogen 2.963 N/A ALA 555.A N ALA 551.A O no hydrogen 2.891 N/A THR 556.A N LEU 552.A O no hydrogen 3.166 N/A THR 556.A N LYS 553.A O no hydrogen 3.224 N/A THR 556.A OG1 LEU 552.A O no hydrogen 3.025 N/A THR 556.A OG1 LYS 553.A O no hydrogen 3.441 N/A GLU 557.A N LYS 553.A O no hydrogen 2.859 N/A GLN 558.A NE2 ARG 560.A O no hydrogen 3.694 N/A GLY 559.A N PRO 260.A O no hydrogen 2.802 N/A ARG 560.A NH1 THR 278.A OG1 no hydrogen 3.274 N/A MET 561.A N PRO 263.A O no hydrogen 2.919 N/A LYS 562.A NZ GLU 530.A OE1 no hydrogen 3.111 N/A LYS 562.A NZ GLU 530.A OE2 no hydrogen 2.606 N/A PHE 563.A N ARG 560.A O no hydrogen 2.925 N/A THR 564.A N ARG 560.A O no hydrogen 2.862 N/A THR 564.A OG1 ALA 555.A O no hydrogen 3.070 N/A THR 564.A OG1 GLN 558.A O no hydrogen 3.087 N/A THR 564.A OG1 GLN 558.A OE1 no hydrogen 2.894 N/A THR 564.A OG1 ARG 560.A O no hydrogen 3.370 N/A ARG 565.A N MET 561.A O no hydrogen 2.991 N/A ARG 565.A NE ASP 603.A OD2 no hydrogen 2.717 N/A ARG 565.A NH2 ASP 603.A OD1 no hydrogen 2.787 N/A ARG 565.A NH2 ASP 603.A OD2 no hydrogen 3.475 N/A LEU 567.A N PHE 563.A O no hydrogen 3.013 N/A PHE 568.A N THR 564.A O no hydrogen 2.988 N/A LYS 569.A N ARG 565.A O no hydrogen 3.002 N/A ASP 570.A N PRO 566.A O no hydrogen 2.939 N/A LEU 571.A N LEU 567.A O no hydrogen 2.959 N/A ALA 572.A N PHE 568.A O no hydrogen 2.824 N/A ALA 573.A N LYS 569.A O no hydrogen 2.939 N/A PHE 574.A N ASP 570.A O no hydrogen 3.036 N/A SER 577.A N PHE 574.A O no hydrogen 2.967 N/A SER 577.A OG LEU 571.A O no hydrogen 2.616 N/A SER 577.A OG PHE 574.A O no hydrogen 3.254 N/A HIS 578.A ND1 ASP 579.A OD1 no hydrogen 3.313 N/A ALA 581.A N SER 577.A O no hydrogen 2.768 N/A VAL 582.A N HIS 578.A O no hydrogen 3.111 N/A ARG 583.A N ASP 579.A O no hydrogen 2.971 N/A THR 584.A N GLN 580.A O no hydrogen 2.876 N/A THR 584.A OG1 GLN 580.A O no hydrogen 2.753 N/A TYR 585.A N ALA 581.A O no hydrogen 3.014 N/A TYR 585.A OH ALA 597.A O no hydrogen 2.749 N/A GLN 586.A N VAL 582.A O no hydrogen 3.001 N/A GLU 587.A N ARG 583.A O no hydrogen 2.922 N/A HIS 588.A N THR 584.A O no hydrogen 3.003 N/A HIS 588.A N TYR 585.A O no hydrogen 3.127 N/A HIS 588.A ND1 THR 584.A O no hydrogen 2.877 N/A LYS 589.A N TYR 585.A O no hydrogen 2.771 N/A SER 591.A N HIS 588.A O no hydrogen 2.959 N/A SER 591.A OG HIS 588.A O no hydrogen 3.022 N/A MET 592.A N LYS 589.A O no hydrogen 3.234 N/A VAL 595.A N HIS 593.A ND1 no hydrogen 3.148 N/A ALA 597.A N HIS 593.A O no hydrogen 2.887 N/A MET 598.A N PRO 594.A O no hydrogen 3.257 N/A LEU 599.A N VAL 595.A O no hydrogen 2.982 N/A VAL 600.A N THR 596.A O no hydrogen 2.920 N/A GLY 601.A N ALA 597.A O no hydrogen 2.961 N/A LYS 602.A N MET 598.A O no hydrogen 2.917 N/A ASP 603.A N LEU 599.A O no hydrogen 2.761 N/A LEU 604.A N VAL 600.A O no hydrogen 2.813 N/A LYS 605.A N LYS 602.A O no hydrogen 2.926 N/A VAL 606.A N GLY 601.A O no hydrogen 3.056 N/A