Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r43_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLU 19.A OE1 no hydrogen 2.875 N/A ILE 1.A N GLU 19.A OE2 no hydrogen 3.489 N/A LEU 4.A N ILE 1.A O no hydrogen 3.126 N/A THR 9.A N ALA 7.A O no hydrogen 2.770 N/A HIS 11.A N THR 9.A OG1 no hydrogen 2.941 N/A HIS 11.A NE2 GLY 169.A O no hydrogen 2.740 N/A LEU 14.A N HIS 11.A ND1 no hydrogen 3.135 N/A LEU 15.A N HIS 11.A O no hydrogen 3.017 N/A SER 16.A N GLN 12.A O no hydrogen 2.896 N/A SER 16.A OG GLN 12.A O no hydrogen 3.021 N/A TRP 17.A N GLY 13.A O no hydrogen 3.077 N/A VAL 18.A N LEU 14.A O no hydrogen 2.868 N/A GLU 19.A N LEU 15.A O no hydrogen 2.981 N/A GLU 20.A N SER 16.A O no hydrogen 2.855 N/A VAL 21.A N TRP 17.A O no hydrogen 2.845 N/A ALA 22.A N VAL 18.A O no hydrogen 2.851 N/A GLU 23.A N GLU 19.A O no hydrogen 2.893 N/A LEU 24.A N GLU 20.A O no hydrogen 3.190 N/A LEU 24.A N VAL 21.A O no hydrogen 2.888 N/A THR 25.A N VAL 21.A O no hydrogen 2.830 N/A THR 25.A OG1 VAL 21.A O no hydrogen 3.418 N/A GLN 26.A N ALA 22.A O no hydrogen 2.726 N/A GLN 26.A NE2 LEU 24.A O no hydrogen 3.648 N/A ASP 28.A N ARG 118.A O no hydrogen 2.824 N/A VAL 30.A N PRO 2.A O no hydrogen 2.849 N/A VAL 31.A N MET 120.A O no hydrogen 2.888 N/A THR 33.A N VAL 122.A O no hydrogen 2.973 N/A THR 33.A OG1 VAL 122.A O no hydrogen 3.176 N/A ASP 34.A N GLU 39.A OE2 no hydrogen 2.843 N/A GLY 35.A N GLU 39.A OE1 no hydrogen 2.854 N/A SER 36.A N ASP 34.A OD1 no hydrogen 2.837 N/A SER 36.A OG ASP 34.A OD1 no hydrogen 2.883 N/A GLU 39.A N SER 36.A OG no hydrogen 3.150 N/A PHE 40.A N SER 36.A O no hydrogen 3.186 N/A GLN 41.A N GLU 37.A O no hydrogen 3.205 N/A GLN 41.A NE2 ASN 63.A OD1 no hydrogen 2.604 N/A ARG 42.A N GLU 38.A O no hydrogen 3.063 N/A LEU 43.A N GLU 39.A O no hydrogen 2.788 N/A CYS 44.A N PHE 40.A O no hydrogen 2.901 N/A CYS 44.A SG PHE 40.A O no hydrogen 3.315 N/A ASP 45.A N GLN 41.A O no hydrogen 2.879 N/A GLN 46.A N ARG 42.A O no hydrogen 2.966 N/A GLN 46.A NE2 GLU 145.A OE2 no hydrogen 3.360 N/A LEU 47.A N LEU 43.A O no hydrogen 2.864 N/A VAL 48.A N CYS 44.A O no hydrogen 2.906 N/A GLU 49.A N ASP 45.A O no hydrogen 2.959 N/A ALA 50.A N GLN 46.A O no hydrogen 2.750 N/A GLY 51.A N VAL 48.A O no hydrogen 3.015 N/A THR 52.A N LEU 47.A O no hydrogen 2.908 N/A THR 52.A OG1 ALA 190.A O no hydrogen 2.563 N/A PHE 53.A N LEU 47.A O no hydrogen 3.119 N/A ILE 54.A N LEU 66.A O no hydrogen 2.729 N/A ARG 55.A NH1 ASP 45.A OD1 no hydrogen 3.177 N/A ARG 55.A NH2 ASP 45.A OD1 no hydrogen 3.376 N/A LEU 56.A N SER 64.A O no hydrogen 2.956 N/A ASN 57.A N GLY 347.A O no hydrogen 3.053 N/A ASN 57.A ND2 ASP 346.A O no hydrogen 2.956 N/A GLU 59.A N ASN 57.A OD1 no hydrogen 3.191 N/A LYS 60.A N ASN 57.A O no hydrogen 3.003 N/A LYS 60.A NZ ASP 346.A OD1 no hydrogen 3.519 N/A LYS 60.A NZ ASP 346.A OD2 no hydrogen 2.619 N/A HIS 61.A N ASN 57.A O no hydrogen 2.876 N/A ASN 63.A ND2 ASN 335.A OD1 no hydrogen 2.693 N/A SER 64.A OG LYS 62.A O no hydrogen 2.771 N/A TYR 65.A N THR 336.A O no hydrogen 2.971 N/A TYR 65.A OH ASN 63.A OD1 no hydrogen 3.168 N/A LEU 66.A N ILE 54.A O no hydrogen 2.916 N/A ALA 67.A N PHE 338.A O no hydrogen 2.808 N/A SER 69.A N ASN 340.A OD1 no hydrogen 2.811 N/A SER 69.A OG ASP 70.A O no hydrogen 3.283 N/A SER 69.A OG ASP 73.A O no hydrogen 2.986 N/A SER 72.A N ASP 70.A OD1 no hydrogen 2.761 N/A SER 72.A OG ASP 70.A OD1 no hydrogen 2.546 N/A ASP 73.A N ASP 70.A O no hydrogen 2.852 N/A ARG 76.A NE GLU 78.A OE2 no hydrogen 3.048 N/A VAL 77.A N ASN 218.A OD1 no hydrogen 3.288 N/A ARG 80.A N VAL 77.A O no hydrogen 3.137 N/A THR 81.A N GLU 78.A O no hydrogen 3.147 N/A THR 81.A OG1 VAL 77.A O no hydrogen 2.686 N/A TYR 82.A N ILE 199.A O no hydrogen 2.782 N/A ILE 83.A N ASN 96.A O no hydrogen 2.885 N/A CYS 84.A N HIS 201.A O no hydrogen 2.892 N/A CYS 84.A SG MET 98.A O no hydrogen 3.412 N/A SER 85.A OG LYS 87.A O no hydrogen 2.797 N/A ALA 86.A N GLU 204.A OE1 no hydrogen 2.829 N/A ASP 90.A N LYS 87.A O no hydrogen 3.034 N/A ALA 91.A N GLU 88.A O no hydrogen 3.108 N/A GLY 92.A N GLU 88.A O no hydrogen 3.179 N/A ASN 95.A N GLY 92.A O no hydrogen 3.247 N/A ASN 95.A ND2 LEU 465.A O no hydrogen 3.307 N/A TRP 97.A NE1 SER 85.A O no hydrogen 2.852 N/A GLU 102.A N ASP 99.A OD2 no hydrogen 2.887 N/A MET 103.A N ASP 99.A O no hydrogen 2.925 N/A ARG 104.A N PRO 100.A O no hydrogen 2.919 N/A SER 105.A N GLY 101.A O no hydrogen 3.089 N/A SER 105.A OG GLU 102.A O no hydrogen 2.874 N/A ILE 106.A N GLU 102.A O no hydrogen 3.111 N/A MET 107.A N MET 103.A O no hydrogen 2.845 N/A LYS 108.A N ARG 104.A O no hydrogen 2.807 N/A ASP 109.A N SER 105.A O no hydrogen 3.409 N/A LEU 110.A N ILE 106.A O no hydrogen 3.085 N/A TYR 111.A N MET 107.A O no hydrogen 2.810 N/A TYR 111.A OH LEU 175.A O no hydrogen 3.380 N/A TYR 111.A OH SER 210.A O no hydrogen 2.614 N/A ARG 112.A N LYS 108.A O no hydrogen 3.097 N/A GLY 113.A N LEU 24.A O no hydrogen 2.790 N/A CYS 114.A N TYR 111.A O no hydrogen 2.926 N/A CYS 114.A SG TYR 111.A O no hydrogen 3.248 N/A CYS 114.A SG SER 177.A OG no hydrogen 3.234 N/A MET 115.A N THR 25.A O no hydrogen 3.085 N/A ARG 116.A N GLY 113.A O no hydrogen 3.398 N/A ARG 116.A NH1 GLU 183.A OE1 no hydrogen 3.030 N/A ARG 116.A NH2 GLU 183.A OE1 no hydrogen 2.883 N/A ARG 118.A N MET 115.A O no hydrogen 2.955 N/A ARG 118.A NE ALA 180.A O no hydrogen 3.228 N/A ARG 118.A NH1 ASP 188.A OD2 no hydrogen 2.599 N/A ARG 118.A NH2 ALA 180.A O no hydrogen 2.774 N/A ARG 118.A NH2 ASP 188.A OD1 no hydrogen 3.195 N/A MET 120.A N ARG 29.A O no hydrogen 2.867 N/A TYR 121.A N THR 142.A O no hydrogen 2.756 N/A VAL 122.A N VAL 31.A O no hydrogen 2.793 N/A VAL 123.A N GLU 140.A O no hydrogen 2.847 N/A PHE 125.A N GLY 138.A O no hydrogen 2.853 N/A CYS 126.A N ARG 156.A O no hydrogen 2.830 N/A CYS 126.A SG MET 127.A O no hydrogen 3.944 N/A CYS 126.A SG GLY 128.A O no hydrogen 3.577 N/A MET 127.A N LYS 136.A O no hydrogen 2.768 N/A GLY 128.A N PRO 308.A O no hydrogen 2.915 N/A ALA 132.A N LEU 130.A O no hydrogen 2.981 N/A LYS 136.A NZ GLU 238.A OE1 no hydrogen 2.777 N/A LYS 136.A NZ GLU 238.A OE2 no hydrogen 2.740 N/A GLY 138.A N PHE 125.A O no hydrogen 2.929 N/A VAL 139.A N VAL 172.A O no hydrogen 2.903 N/A GLU 140.A N VAL 123.A O no hydrogen 2.894 N/A ILE 141.A N ALA 174.A O no hydrogen 2.744 N/A THR 142.A N TYR 121.A O no hydrogen 2.838 N/A THR 142.A OG1 HIS 176.A ND1 no hydrogen 2.783 N/A SER 144.A N THR 142.A OG1 no hydrogen 2.988 N/A TYR 146.A OH THR 339.A OG1 no hydrogen 2.711 N/A VAL 147.A N SER 144.A OG no hydrogen 2.973 N/A VAL 148.A N SER 144.A O no hydrogen 3.278 N/A VAL 149.A N GLU 145.A O no hydrogen 3.158 N/A SER 150.A N TYR 146.A O no hydrogen 3.041 N/A SER 150.A OG TYR 146.A O no hydrogen 2.952 N/A MET 151.A N VAL 147.A O no hydrogen 2.768 N/A ARG 152.A N VAL 148.A O no hydrogen 3.008 N/A ARG 152.A N VAL 149.A O no hydrogen 3.064 N/A ARG 152.A NE GLY 35.A O no hydrogen 3.023 N/A ARG 152.A NH2 GLY 35.A O no hydrogen 3.029 N/A THR 153.A N VAL 149.A O no hydrogen 3.353 N/A MET 154.A N SER 150.A O no hydrogen 2.930 N/A THR 155.A N MET 151.A O no hydrogen 3.021 N/A THR 155.A OG1 MET 151.A O no hydrogen 2.695 N/A ARG 156.A NH1 GLU 309.A O no hydrogen 3.314 N/A ARG 156.A NH2 ASP 400.A OD1 no hydrogen 2.742 N/A GLY 158.A N PRO 124.A O no hydrogen 2.802 N/A LYS 159.A N ASP 34.A O no hydrogen 2.861 N/A LEU 162.A N GLY 158.A O no hydrogen 2.916 N/A GLU 163.A N LYS 159.A O no hydrogen 2.912 N/A LYS 164.A N ALA 160.A O no hydrogen 3.131 N/A MET 165.A N ALA 161.A O no hydrogen 3.252 N/A MET 165.A N LEU 162.A O no hydrogen 3.231 N/A GLY 166.A N GLU 163.A O no hydrogen 3.119 N/A GLY 169.A N MET 165.A O no hydrogen 2.793 N/A VAL 172.A N LEU 137.A O no hydrogen 2.964 N/A ALA 174.A N VAL 139.A O no hydrogen 2.943 N/A LEU 175.A N ILE 208.A O no hydrogen 2.867 N/A HIS 176.A N ILE 141.A O no hydrogen 2.739 N/A HIS 176.A ND1 THR 142.A OG1 no hydrogen 2.783 N/A HIS 176.A NE2 SER 213.A O no hydrogen 2.672 N/A SER 177.A N SER 210.A O no hydrogen 3.198 N/A SER 177.A OG ASP 143.A OD2 no hydrogen 2.930 N/A VAL 178.A N ASP 143.A OD1 no hydrogen 2.952 N/A GLY 179.A N SER 177.A OG no hydrogen 2.813 N/A LEU 182.A N ARG 116.A O no hydrogen 2.745 N/A GLU 183.A N GLN 186.A OE1 no hydrogen 2.605 N/A GLN 186.A N GLU 183.A O no hydrogen 2.952 N/A VAL 189.A N ASP 188.A OD1 no hydrogen 2.681 N/A TRP 191.A NE1 ASP 73.A OD2 no hydrogen 2.706 N/A CYS 193.A SG TRP 191.A O no hydrogen 3.922 N/A SER 194.A N GLY 212.A O no hydrogen 2.920 N/A SER 194.A OG THR 196.A O no hydrogen 3.448 N/A THR 196.A N SER 194.A OG no hydrogen 3.013 N/A LYS 197.A NZ SER 194.A O no hydrogen 2.681 N/A LYS 197.A NZ GLY 212.A O no hydrogen 3.404 N/A TYR 198.A N TYR 211.A O no hydrogen 2.913 N/A ILE 199.A N ARG 80.A O no hydrogen 2.977 N/A THR 200.A N TRP 209.A O no hydrogen 2.819 N/A HIS 201.A N TYR 82.A O no hydrogen 3.069 N/A HIS 201.A ND1 TYR 82.A O no hydrogen 2.976 N/A PHE 202.A N GLU 207.A O no hydrogen 2.764 N/A GLU 204.A N GLU 204.A OE2 no hydrogen 2.920 N/A THR 205.A OG1 GLU 207.A OE2 no hydrogen 2.918 N/A ARG 206.A N PHE 202.A O no hydrogen 2.834 N/A ARG 206.A N PRO 203.A O no hydrogen 3.269 N/A ARG 206.A NH1 PRO 203.A O no hydrogen 2.795 N/A ARG 206.A NH1 ASP 237.A OD2 no hydrogen 3.520 N/A ARG 206.A NH2 ASP 237.A OD2 no hydrogen 2.910 N/A GLU 207.A N PHE 202.A O no hydrogen 3.129 N/A ILE 208.A N LYS 173.A O no hydrogen 3.079 N/A TRP 209.A N THR 200.A O no hydrogen 2.800 N/A SER 210.A N LEU 175.A O no hydrogen 2.784 N/A SER 210.A OG ASN 218.A O no hydrogen 2.677 N/A TYR 211.A N TYR 198.A O no hydrogen 2.767 N/A GLY 212.A N SER 177.A O no hydrogen 2.759 N/A SER 213.A OG ASP 73.A OD1 no hydrogen 2.532 N/A SER 213.A OG ASP 73.A OD2 no hydrogen 3.558 N/A GLY 214.A N ASP 73.A OD2 no hydrogen 2.683 N/A TYR 215.A N SER 213.A OG no hydrogen 3.079 N/A ASN 218.A N TYR 215.A O no hydrogen 3.043 N/A ASN 218.A ND2 ALA 75.A O no hydrogen 2.915 N/A ASN 218.A ND2 SER 213.A OG no hydrogen 3.048 N/A ALA 219.A N GLY 216.A O no hydrogen 3.068 N/A LEU 220.A N GLY 216.A O no hydrogen 2.894 N/A LEU 221.A N GLU 140.A OE1 no hydrogen 3.106 N/A LYS 223.A N LEU 220.A O no hydrogen 3.319 N/A LYS 223.A NZ ASP 291.A OD2 no hydrogen 2.594 N/A LYS 223.A NZ GLU 309.A OE1 no hydrogen 2.684 N/A LYS 223.A NZ GLU 309.A OE2 no hydrogen 2.972 N/A LYS 224.A NZ HIS 244.A NE2 no hydrogen 3.272 N/A LYS 224.A NZ ASP 291.A OD1 no hydrogen 3.218 N/A LYS 224.A NZ ASP 291.A OD2 no hydrogen 2.788 N/A CYS 225.A SG HIS 201.A NE2 no hydrogen 3.313 N/A CYS 225.A SG GLY 217.A O no hydrogen 3.602 N/A TYR 226.A N LEU 221.A O no hydrogen 2.913 N/A TYR 226.A OH LEU 137.A O no hydrogen 2.726 N/A SER 227.A OG GLY 222.A O no hydrogen 3.101 N/A SER 227.A OG LYS 223.A O no hydrogen 2.426 N/A LEU 228.A N LYS 224.A O no hydrogen 3.109 N/A ARG 229.A N LYS 224.A O no hydrogen 3.056 N/A ARG 229.A NE PRO 463.A O no hydrogen 3.103 N/A ARG 229.A NH1 HIS 201.A NE2 no hydrogen 3.450 N/A ARG 229.A NH2 GLU 78.A OE1 no hydrogen 3.299 N/A ARG 229.A NH2 PRO 463.A O no hydrogen 3.014 N/A ILE 230.A N CYS 225.A O no hydrogen 2.847 N/A ALA 231.A N TYR 226.A O no hydrogen 2.792 N/A SER 232.A N LEU 228.A O no hydrogen 2.702 N/A SER 232.A OG LEU 228.A O no hydrogen 2.910 N/A SER 232.A OG ARG 229.A O no hydrogen 3.005 N/A MET 234.A N ILE 230.A O no hydrogen 3.009 N/A ALA 235.A N ALA 231.A O no hydrogen 2.695 N/A HIS 236.A N SER 232.A O no hydrogen 2.880 N/A ASP 237.A N ALA 233.A O no hydrogen 3.224 N/A GLU 238.A N MET 234.A O no hydrogen 2.878 N/A GLY 239.A N ALA 235.A O no hydrogen 2.966 N/A TRP 240.A N ALA 235.A O no hydrogen 2.976 N/A TRP 240.A NE1 GLU 238.A OE1 no hydrogen 3.033 N/A LEU 241.A N MET 295.A O no hydrogen 2.872 N/A GLU 243.A N ALA 293.A O no hydrogen 2.709 N/A HIS 244.A ND1 ALA 460.A O no hydrogen 2.820 N/A HIS 244.A NE2 ASP 291.A OD1 no hydrogen 3.050 N/A LEU 246.A N ALA 262.A O no hydrogen 2.915 N/A ILE 247.A N GLY 289.A O no hydrogen 2.821 N/A LEU 248.A N PHE 260.A O no hydrogen 2.813 N/A LYS 249.A N GLU 286.A O no hydrogen 2.875 N/A LYS 249.A NZ GLU 286.A OE1 no hydrogen 3.201 N/A LYS 249.A NZ GLU 398.A OE1 no hydrogen 3.456 N/A LYS 249.A NZ GLU 398.A OE2 no hydrogen 2.628 N/A LEU 250.A N TYR 258.A O no hydrogen 2.781 N/A ILE 251.A N ARG 284.A O no hydrogen 2.760 N/A SER 252.A N LYS 256.A O no hydrogen 2.813 N/A SER 252.A OG GLU 254.A O no hydrogen 3.326 N/A SER 252.A OG LYS 256.A O no hydrogen 3.403 N/A ASN 255.A ND2 GLU 254.A O no hydrogen 3.568 N/A LYS 256.A N SER 252.A OG no hydrogen 3.161 N/A TYR 258.A N LEU 250.A O no hydrogen 2.585 N/A TYR 258.A OH GLU 525.A OE2 no hydrogen 2.652 N/A PHE 260.A N LEU 248.A O no hydrogen 2.927 N/A ALA 261.A N GLY 409.A O no hydrogen 3.029 N/A ALA 262.A N LEU 246.A O no hydrogen 3.125 N/A ALA 263.A N LEU 411.A O no hydrogen 2.824 N/A CYS 268.A N PRO 265.A O no hydrogen 3.097 N/A CYS 268.A SG SER 266.A O no hydrogen 3.755 N/A CYS 268.A SG SER 441.A OG no hydrogen 3.456 N/A LYS 270.A NZ PHE 264.A O no hydrogen 3.106 N/A THR 271.A OG1 ASP 290.A OD2 no hydrogen 2.820 N/A LEU 273.A N GLY 269.A O no hydrogen 3.106 N/A ALA 274.A N LYS 270.A O no hydrogen 2.915 N/A MET 275.A N THR 271.A O no hydrogen 3.199 N/A MET 275.A N ASN 272.A O no hydrogen 3.222 N/A LEU 276.A N LEU 273.A O no hydrogen 3.053 N/A THR 279.A N SER 514.A OG no hydrogen 3.203 N/A THR 279.A OG1 GLY 511.A O no hydrogen 3.427 N/A THR 279.A OG1 GLU 512.A OE1 no hydrogen 2.828 N/A THR 279.A OG1 SER 514.A OG no hydrogen 2.947 N/A TRP 283.A N ILE 280.A O no hydrogen 3.166 N/A ARG 284.A N ILE 251.A O no hydrogen 2.884 N/A GLU 286.A N LYS 249.A O no hydrogen 2.900 N/A THR 287.A N ILE 394.A O no hydrogen 3.009 N/A THR 287.A OG1 ALA 274.A O no hydrogen 2.899 N/A LEU 288.A N ILE 247.A O no hydrogen 2.857 N/A ALA 293.A N GLU 243.A O no hydrogen 2.912 N/A TRP 294.A N VAL 306.A O no hydrogen 2.890 N/A TRP 294.A NE1 SER 227.A O no hydrogen 2.788 N/A MET 295.A N LEU 241.A O no hydrogen 2.745 N/A ARG 296.A N TYR 304.A O no hydrogen 3.011 N/A GLY 298.A N ARG 302.A O no hydrogen 2.835 N/A GLY 301.A N GLY 298.A O no hydrogen 2.919 N/A ARG 302.A N ASP 300.A OD1 no hydrogen 3.093 N/A ARG 302.A NH1 ASP 300.A OD2 no hydrogen 3.281 N/A TYR 304.A N ARG 296.A O no hydrogen 2.894 N/A TYR 304.A OH ASP 300.A OD2 no hydrogen 3.001 N/A ALA 305.A N VAL 405.A O no hydrogen 2.829 N/A VAL 306.A N TRP 294.A O no hydrogen 2.964 N/A ASN 307.A ND2 LEU 288.A O no hydrogen 2.801 N/A GLU 309.A N ASN 307.A OD1 no hydrogen 2.859 N/A PHE 310.A N MET 154.A O no hydrogen 2.997 N/A PHE 312.A N THR 387.A O no hydrogen 2.917 N/A GLY 314.A N TYR 385.A O no hydrogen 2.938 N/A ALA 316.A N SER 383.A O no hydrogen 2.879 N/A GLY 318.A N GLU 352.A O no hydrogen 2.783 N/A THR 319.A N ALA 316.A O no hydrogen 2.884 N/A THR 319.A OG1 VAL 315.A O no hydrogen 3.165 N/A THR 319.A OG1 ALA 316.A O no hydrogen 2.783 N/A ASN 320.A N SER 323.A OG no hydrogen 2.837 N/A TRP 321.A N GLU 355.A OE1 no hydrogen 3.498 N/A TRP 321.A N GLU 355.A OE2 no hydrogen 2.983 N/A SER 323.A OG GLY 318.A O no hydrogen 2.977 N/A SER 323.A OG ASN 320.A O no hydrogen 3.334 N/A ASN 324.A N ASN 320.A O no hydrogen 2.747 N/A ALA 327.A N ASN 324.A OD1 no hydrogen 2.789 N/A MET 328.A N ASN 324.A O no hydrogen 2.979 N/A ARG 329.A N PRO 325.A O no hydrogen 2.875 N/A ARG 329.A NH1 ASN 326.A OD1 no hydrogen 3.156 N/A THR 330.A N ASN 326.A O no hydrogen 3.065 N/A THR 330.A OG1 ASN 326.A O no hydrogen 2.650 N/A ILE 331.A N ALA 327.A O no hydrogen 3.194 N/A ALA 332.A N MET 328.A O no hydrogen 2.980 N/A ALA 333.A N THR 330.A O no hydrogen 3.327 N/A GLY 334.A N ILE 331.A O no hydrogen 2.938 N/A ASN 335.A N LYS 62.A O no hydrogen 2.851 N/A ASN 335.A ND2 GLN 391.A OE1 no hydrogen 2.965 N/A THR 336.A N SER 64.A OG no hydrogen 3.314 N/A THR 336.A OG1 GLY 334.A O no hydrogen 2.788 N/A THR 336.A OG1 THR 387.A OG1 no hydrogen 2.908 N/A VAL 337.A N CYS 386.A O no hydrogen 3.244 N/A PHE 338.A N TYR 65.A O no hydrogen 2.815 N/A THR 339.A N ARG 384.A O no hydrogen 2.946 N/A THR 339.A OG1 TYR 146.A OH no hydrogen 2.711 N/A ASN 340.A N ALA 67.A O no hydrogen 2.855 N/A ASN 340.A ND2 SER 69.A OG no hydrogen 2.908 N/A ALA 342.A N TRP 350.A O no hydrogen 2.994 N/A LEU 343.A N ILE 362.A O no hydrogen 2.959 N/A THR 344.A N ASP 348.A O no hydrogen 2.717 N/A THR 344.A OG1 ASP 346.A OD1 no hydrogen 2.569 N/A GLY 347.A N THR 344.A O no hydrogen 2.891 N/A ASP 348.A N THR 344.A OG1 no hydrogen 2.816 N/A TRP 350.A N ALA 342.A O no hydrogen 2.853 N/A TRP 351.A NE1 THR 319.A O no hydrogen 2.811 N/A GLU 352.A N GLU 352.A OE1 no hydrogen 2.865 N/A LEU 354.A N TRP 351.A O no hydrogen 2.937 N/A HIS 360.A ND1 ASP 345.A OD1 no hydrogen 2.682 N/A HIS 360.A NE2 ASP 368.A OD1 no hydrogen 2.737 N/A LEU 361.A N TRP 369.A O no hydrogen 2.886 N/A ILE 362.A N LEU 343.A O no hydrogen 2.920 N/A ASP 363.A N ASN 367.A O no hydrogen 2.724 N/A TRP 364.A N ALA 378.A O no hydrogen 3.072 N/A LYS 365.A N ASP 363.A OD1 no hydrogen 3.027 N/A GLY 366.A N ASP 363.A O no hydrogen 2.933 N/A ASN 367.A N ASP 363.A OD1 no hydrogen 2.949 N/A TRP 369.A N LEU 361.A O no hydrogen 2.801 N/A TRP 369.A NE1 THR 376.A O no hydrogen 3.123 N/A TYR 370.A N THR 374.A OG1.A no hydrogen 2.810 N/A PHE 371.A N GLN 359.A O no hydrogen 3.023 N/A GLU 373.A N TYR 370.A O no hydrogen 3.264 N/A THR 374.A N TYR 370.A O no hydrogen 2.965 N/A THR 374.A OG1.A TYR 370.A O no hydrogen 3.405 N/A ALA 378.A N GLU 352.A OE2 no hydrogen 2.680 N/A ALA 379.A N GLU 352.A OE1 no hydrogen 3.117 N/A HIS 380.A N ASN 340.A O no hydrogen 2.825 N/A ASN 382.A N HIS 380.A ND1 no hydrogen 2.878 N/A SER 383.A N HIS 380.A O no hydrogen 2.914 N/A SER 383.A OG HIS 380.A O no hydrogen 2.767 N/A ARG 384.A N THR 339.A O no hydrogen 3.079 N/A ARG 384.A NH1 PHE 313.A O no hydrogen 3.035 N/A TYR 385.A N GLY 314.A O no hydrogen 2.926 N/A CYS 386.A N VAL 337.A O no hydrogen 2.817 N/A THR 387.A N PHE 312.A O no hydrogen 3.000 N/A THR 387.A OG1 THR 336.A OG1 no hydrogen 2.908 N/A MET 389.A N PHE 310.A O no hydrogen 3.200 N/A GLN 391.A N PRO 388.A O no hydrogen 3.352 N/A GLN 391.A NE2 THR 330.A O no hydrogen 2.813 N/A GLN 391.A NE2 GLY 334.A O no hydrogen 2.881 N/A CYS 392.A N MET 389.A O no hydrogen 2.858 N/A CYS 392.A SG THR 330.A OG1 no hydrogen 3.704 N/A LEU 395.A N CYS 392.A O no hydrogen 3.141 N/A ALA 396.A N THR 287.A O no hydrogen 2.976 N/A TRP 399.A N ALA 396.A O no hydrogen 3.031 N/A ASP 401.A N GLU 398.A O no hydrogen 3.095 N/A GLN 403.A N ASP 401.A OD1 no hydrogen 3.081 N/A GLY 404.A N ASP 401.A O no hydrogen 3.159 N/A VAL 405.A N ALA 305.A O no hydrogen 2.889 N/A ILE 407.A N LEU 303.A O no hydrogen 2.743 N/A SER 408.A N TYR 259.A O no hydrogen 2.780 N/A ILE 410.A N LYS 490.A O no hydrogen 2.847 N/A LEU 411.A N ALA 261.A O no hydrogen 2.757 N/A PHE 412.A N PHE 492.A O no hydrogen 2.955 N/A GLY 413.A N ALA 263.A O no hydrogen 3.305 N/A ARG 415.A N SER 441.A OG no hydrogen 2.944 N/A ARG 415.A NE ALA 267.A O no hydrogen 3.064 N/A ARG 415.A NH2 ALA 267.A O no hydrogen 2.914 N/A ARG 416.A N ASN 495.A OD1 no hydrogen 3.363 N/A ARG 416.A NE GLU 442.A OE2 no hydrogen 2.895 N/A ARG 416.A NH1 GLU 570.A OE2 no hydrogen 2.990 N/A ARG 416.A NH2 GLU 570.A OE1 no hydrogen 3.000 N/A LYS 417.A N GLU 442.A OE1 no hydrogen 2.856 N/A LYS 417.A N GLU 442.A OE2 no hydrogen 3.271 N/A VAL 420.A N THR 418.A O no hydrogen 2.836 N/A LEU 422.A N ALA 559.A O no hydrogen 3.094 N/A THR 424.A N PHE 493.A O no hydrogen 2.936 N/A GLU 425.A N THR 537.A O no hydrogen 2.806 N/A ALA 426.A N VAL 491.A O no hydrogen 2.762 N/A ARG 427.A N HIS 431.A ND1 no hydrogen 3.064 N/A TRP 429.A NE1 TRP 476.A O no hydrogen 2.911 N/A HIS 431.A N ASP 428.A OD1 no hydrogen 2.802 N/A GLY 432.A N ASP 428.A O no hydrogen 2.940 N/A VAL 433.A N TRP 429.A O no hydrogen 2.943 N/A PHE 434.A N GLN 430.A O no hydrogen 3.242 N/A ILE 435.A N HIS 431.A O no hydrogen 2.902 N/A GLY 436.A N GLY 432.A O no hydrogen 3.128 N/A ALA 437.A N VAL 433.A O no hydrogen 2.736 N/A THR 438.A N PHE 434.A O no hydrogen 3.078 N/A THR 438.A N ILE 435.A O no hydrogen 3.377 N/A THR 438.A OG1.A PHE 434.A O no hydrogen 3.348 N/A THR 438.A OG1.B PHE 434.A O no hydrogen 2.708 N/A THR 438.A OG1.B ILE 435.A O no hydrogen 3.466 N/A LEU 439.A N GLY 436.A O no hydrogen 3.202 N/A SER 441.A N ARG 455.A O no hydrogen 2.849 N/A GLU 442.A N ARG 415.A O no hydrogen 2.841 N/A GLN 443.A N SER 441.A O no hydrogen 2.935 N/A THR 444.A OG1 GLY 449.A O no hydrogen 2.443 N/A THR 444.A OG1 LYS 450.A O no hydrogen 3.298 N/A GLU 448.A N ALA 445.A O no hydrogen 3.064 N/A GLY 449.A N ALA 445.A O no hydrogen 2.684 N/A ARG 455.A N SER 441.A O no hydrogen 2.846 N/A ARG 456.A NH1 THR 438.A O no hydrogen 2.752 N/A ARG 456.A NH1 GLU 570.A OE2 no hydrogen 3.206 N/A ARG 456.A NH2 GLU 570.A OE2 no hydrogen 2.747 N/A ASP 457.A N LEU 439.A O no hydrogen 2.827 N/A MET 459.A N GLY 436.A O no hydrogen 3.067 N/A ALA 460.A N ASP 457.A O no hydrogen 2.957 N/A MET 461.A N PRO 458.A O no hydrogen 2.792 N/A LEU 462.A N ASP 457.A OD1 no hydrogen 2.867 N/A PHE 464.A N MET 461.A O no hydrogen 2.855 N/A LEU 465.A N MET 461.A O no hydrogen 3.201 N/A GLY 466.A N SER 232.A OG no hydrogen 2.880 N/A ASN 468.A ND2 ILE 89.A O no hydrogen 2.996 N/A ASP 471.A N ASN 468.A OD1 no hydrogen 3.457 N/A TYR 472.A N ASN 468.A O no hydrogen 2.981 N/A TYR 472.A OH GLU 243.A OE1 no hydrogen 2.642 N/A TYR 472.A OH GLU 243.A OE2 no hydrogen 3.195 N/A PHE 473.A N VAL 469.A O no hydrogen 2.974 N/A GLN 474.A N GLY 470.A O no hydrogen 3.067 N/A GLN 474.A NE2 GLN 474.A O no hydrogen 3.527 N/A GLN 474.A NE2 ASN 478.A OD1 no hydrogen 3.109 N/A HIS 475.A N ASP 471.A O no hydrogen 2.913 N/A HIS 475.A NE2 TRP 240.A O no hydrogen 2.626 N/A TRP 476.A N TYR 472.A O no hydrogen 3.021 N/A TRP 476.A NE1 GLU 243.A OE2 no hydrogen 3.041 N/A ILE 477.A N PHE 473.A O no hydrogen 2.893 N/A ASN 478.A N GLN 474.A O no hydrogen 2.798 N/A LEU 479.A N HIS 475.A O no hydrogen 3.113 N/A GLY 480.A N TRP 476.A O no hydrogen 3.391 N/A LYS 481.A N ILE 477.A O no hydrogen 2.963 N/A HIS 482.A N ASN 478.A O no hydrogen 3.112 N/A ALA 483.A N GLY 480.A O no hydrogen 2.972 N/A SER 486.A N ASP 484.A OD1 no hydrogen 2.758 N/A LYS 487.A N ASP 484.A O no hydrogen 2.849 N/A LEU 488.A N GLU 485.A O no hydrogen 3.499 N/A LYS 490.A N SER 408.A O no hydrogen 3.028 N/A PHE 492.A N ILE 410.A O no hydrogen 2.830 N/A PHE 493.A N THR 424.A O no hydrogen 2.823 N/A VAL 494.A N PHE 412.A O no hydrogen 2.925 N/A ASN 495.A N LEU 422.A O no hydrogen 2.925 N/A ASN 495.A ND2 ARG 416.A O no hydrogen 2.790 N/A ASN 495.A ND2 VAL 420.A O no hydrogen 2.906 N/A PHE 497.A N ASN 495.A OD1 no hydrogen 3.026 N/A ARG 498.A NH1 ALA 559.A O no hydrogen 2.963 N/A ARG 498.A NH1 ALA 561.A O no hydrogen 2.695 N/A ARG 498.A NH2 ALA 561.A O no hydrogen 3.042 N/A ARG 498.A NH2 GLU 566.A OE2 no hydrogen 3.128 N/A ARG 499.A N LYS 417.A O no hydrogen 2.907 N/A ARG 499.A NH1 GLY 503.A O no hydrogen 3.236 N/A GLY 500.A N ARG 504.A O no hydrogen 2.834 N/A GLY 503.A N GLY 500.A O no hydrogen 2.653 N/A LEU 506.A N ARG 498.A O no hydrogen 3.090 N/A TRP 507.A NE1 ASN 513.A OD1 no hydrogen 2.887 N/A GLU 512.A N GLY 509.A O no hydrogen 3.011 N/A ASN 513.A N PHE 510.A O no hydrogen 2.839 N/A SER 514.A N GLY 511.A O no hydrogen 2.880 N/A SER 514.A OG GLY 511.A O no hydrogen 2.703 N/A ARG 515.A N GLU 512.A O no hydrogen 2.912 N/A ARG 515.A NE GLU 512.A OE1 no hydrogen 2.777 N/A ARG 515.A NH1 ASP 545.A O no hydrogen 2.673 N/A ARG 515.A NH1 ASP 547.A O no hydrogen 2.869 N/A ARG 515.A NH2 ASP 547.A O no hydrogen 3.156 N/A VAL 516.A N ASN 513.A O no hydrogen 2.990 N/A LEU 517.A N ASN 513.A O no hydrogen 3.082 N/A LYS 518.A N SER 514.A O no hydrogen 2.908 N/A LYS 518.A NZ ASP 522.A OD1 no hydrogen 3.337 N/A LYS 518.A NZ ASP 522.A OD2 no hydrogen 2.930 N/A TRP 519.A N ARG 515.A O no hydrogen 3.386 N/A TRP 519.A NE1 GLY 529.A O no hydrogen 2.901 N/A ILE 520.A N VAL 516.A O no hydrogen 3.057 N/A VAL 521.A N LEU 517.A O no hydrogen 2.835 N/A ASP 522.A N LYS 518.A O no hydrogen 2.763 N/A ARG 523.A N TRP 519.A O no hydrogen 2.814 N/A ARG 523.A NE GLU 425.A OE1 no hydrogen 2.774 N/A ARG 523.A NH1 ALA 528.A O no hydrogen 3.276 N/A ARG 523.A NH2 GLU 425.A OE1 no hydrogen 3.326 N/A ILE 524.A N ILE 520.A O no hydrogen 3.024 N/A GLU 525.A N VAL 521.A O no hydrogen 2.891 N/A HIS 526.A N ARG 523.A O no hydrogen 3.402 N/A LYS 527.A N ASP 522.A O no hydrogen 2.754 N/A ALA 531.A N VAL 538.A O no hydrogen 2.972 N/A THR 533.A N GLY 536.A O no hydrogen 2.909 N/A THR 533.A OG1 GLY 536.A O no hydrogen 2.887 N/A ILE 535.A N THR 533.A OG1 no hydrogen 3.200 N/A GLY 536.A N THR 533.A O no hydrogen 3.320 N/A THR 537.A N GLU 425.A O no hydrogen 2.939 N/A VAL 538.A N ALA 531.A O no hydrogen 2.917 N/A ALA 540.A N ASP 543.A OD2 no hydrogen 2.789 N/A ASP 543.A N ALA 540.A O no hydrogen 2.929 N/A LEU 544.A N VAL 541.A O no hydrogen 3.438 N/A ASP 547.A N ASP 545.A OD1 no hydrogen 2.867 N/A LEU 549.A N LEU 546.A O no hydrogen 2.735 N/A VAL 551.A N LEU 549.A O no hydrogen 3.019 N/A ALA 554.A N ASP 552.A OD1 no hydrogen 2.720 N/A ASP 555.A N ASP 552.A O no hydrogen 2.846 N/A VAL 556.A N ASP 552.A O no hydrogen 3.299 N/A ALA 557.A N ALA 553.A O no hydrogen 2.926 N/A ALA 558.A N ALA 554.A O no hydrogen 3.031 N/A ALA 559.A N ASP 555.A O no hydrogen 2.769 N/A LEU 560.A N VAL 556.A O no hydrogen 2.911 N/A LEU 560.A N ALA 557.A O no hydrogen 3.167 N/A ALA 561.A N ALA 558.A O no hydrogen 3.225 N/A ASP 565.A N ASP 563.A OD1 no hydrogen 2.704 N/A GLU 566.A N ASP 563.A OD1 no hydrogen 3.191 N/A TRP 567.A N ASP 563.A O no hydrogen 3.026 N/A TRP 567.A NE1 THR 419.A O no hydrogen 2.926 N/A ARG 568.A N ALA 564.A O no hydrogen 2.806 N/A ARG 568.A NE LEU 600.A O no hydrogen 2.977 N/A ARG 568.A NH2 LEU 600.A O no hydrogen 2.888 N/A GLN 569.A N ASP 565.A O no hydrogen 3.170 N/A GLN 569.A NE2 ASP 565.A O no hydrogen 3.190 N/A GLU 570.A N GLU 566.A O no hydrogen 3.177 N/A GLU 570.A N TRP 567.A O no hydrogen 3.026 N/A LEU 571.A N ARG 568.A O no hydrogen 3.158 N/A ILE 574.A N GLU 570.A O no hydrogen 2.995 N/A GLU 575.A N LEU 571.A O no hydrogen 2.801 N/A GLU 576.A N PRO 572.A O no hydrogen 2.940 N/A TRP 577.A N LEU 573.A O no hydrogen 3.171 N/A TRP 577.A NE1 ALA 437.A O no hydrogen 2.868 N/A LEU 578.A N ILE 574.A O no hydrogen 2.852 N/A GLN 579.A N GLU 575.A O no hydrogen 2.982 N/A PHE 580.A N GLU 576.A O no hydrogen 2.962 N/A VAL 581.A N TRP 577.A O no hydrogen 3.126 N/A LEU 585.A N GLY 582.A O no hydrogen 3.020 N/A VAL 589.A N PRO 586.A O no hydrogen 3.136 N/A LYS 590.A N PRO 586.A O no hydrogen 3.196 N/A ASP 591.A N THR 587.A O no hydrogen 2.612 N/A GLU 592.A N GLY 588.A O no hydrogen 3.164 N/A PHE 593.A N VAL 589.A O no hydrogen 2.964 N/A ASP 594.A N LYS 590.A O no hydrogen 2.846 N/A ALA 595.A N ASP 591.A O no hydrogen 2.880 N/A LEU 596.A N GLU 592.A O no hydrogen 2.931 N/A LYS 597.A N PHE 593.A O no hydrogen 2.925 N/A GLU 598.A N ASP 594.A O no hydrogen 2.836 N/A ARG 599.A N ALA 595.A O no hydrogen 3.013 N/A ARG 599.A NE PRO 534.A O no hydrogen 2.706 N/A ARG 599.A NH2 PRO 534.A O no hydrogen 2.741 N/A LEU 600.A N LEU 596.A O no hydrogen 3.062 N/A LEU 600.A N LYS 597.A O no hydrogen 3.178 N/A GLY 601.A N LYS 597.A O no hydrogen 2.982 N/A