Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3thc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE TYR 146.A O no hydrogen 2.982 N/A ARG 2.A NH2 TYR 146.A O no hydrogen 3.326 N/A MET 3.A N ASP 16.A OD1 no hydrogen 2.826 N/A GLU 5.A N LEU 14.A O no hydrogen 2.942 N/A ASP 7.A N SER 12.A O no hydrogen 2.663 N/A ARG 10.A N ASP 7.A OD2 no hydrogen 3.202 N/A ASP 11.A N TYR 8.A O no hydrogen 3.427 N/A SER 12.A N ASP 7.A O no hydrogen 3.118 N/A SER 12.A OG PHE 13.A O no hydrogen 3.069 N/A LEU 14.A N GLU 5.A O no hydrogen 2.758 N/A LYS 15.A N GLN 18.A O no hydrogen 2.777 N/A ASP 16.A N MET 3.A O no hydrogen 2.798 N/A GLN 18.A N LYS 15.A O no hydrogen 2.897 N/A PHE 20.A N PHE 13.A O no hydrogen 3.100 N/A ARG 21.A NH2 LEU 269.A O no hydrogen 2.911 N/A ARG 21.A NH2 ALA 273.A O no hydrogen 2.969 N/A TYR 22.A N SER 274.A OG no hydrogen 3.018 N/A ILE 23.A N ASN 50.A OD1 no hydrogen 2.818 N/A SER 24.A N VAL 275.A O no hydrogen 2.822 N/A SER 24.A OG ASN 276.A OD1 no hydrogen 2.712 N/A GLY 25.A N ALA 51.A O no hydrogen 3.352 N/A SER 26.A N LEU 277.A O no hydrogen 2.845 N/A ILE 27.A N GLN 53.A O no hydrogen 3.107 N/A TYR 29.A OH HIS 61.A NE2 no hydrogen 2.586 N/A ARG 31.A N HIS 28.A O no hydrogen 2.834 N/A ARG 31.A NE ASN 285.A OD1 no hydrogen 2.779 N/A ARG 31.A NH1 ALA 100.A O no hydrogen 2.712 N/A ARG 31.A NH1 ASN 285.A OD1 no hydrogen 2.861 N/A ARG 31.A NH2 HIS 28.A ND1 no hydrogen 2.964 N/A ARG 31.A NH2 ALA 100.A O no hydrogen 2.858 N/A VAL 32.A N TYR 29.A O no hydrogen 3.367 N/A ARG 34.A N ASP 73.A OD1 no hydrogen 2.964 N/A ARG 34.A NH1 GLU 72.A O no hydrogen 3.155 N/A ARG 34.A NH1 ASP 75.A OD2 no hydrogen 3.118 N/A TYR 36.A N PRO 33.A O no hydrogen 2.832 N/A TYR 36.A OH ASP 526.A OD1 no hydrogen 2.584 N/A TRP 37.A N ARG 34.A O no hydrogen 2.966 N/A TRP 37.A NE1 TYR 29.A O no hydrogen 3.233 N/A TRP 37.A NE1 VAL 32.A O no hydrogen 2.886 N/A ARG 40.A N TYR 36.A O no hydrogen 3.059 N/A ARG 40.A NH1 ASP 39.A OD2 no hydrogen 2.930 N/A LEU 41.A N TRP 37.A O no hydrogen 2.980 N/A LEU 42.A N LYS 38.A O no hydrogen 2.843 N/A LYS 43.A N ASP 39.A O no hydrogen 3.040 N/A LYS 43.A NZ ASP 39.A OD2 no hydrogen 2.788 N/A LYS 43.A NZ GLY 313.A O no hydrogen 2.887 N/A LYS 43.A NZ PRO 339.A O no hydrogen 2.963 N/A MET 44.A N ARG 40.A O no hydrogen 2.923 N/A LYS 45.A N LEU 41.A O no hydrogen 2.960 N/A LYS 45.A NZ LEU 86.A O no hydrogen 2.624 N/A MET 46.A N LEU 42.A O no hydrogen 2.877 N/A ALA 47.A N LYS 43.A O no hydrogen 3.089 N/A ALA 47.A N MET 44.A O no hydrogen 3.253 N/A GLY 48.A N LYS 45.A O no hydrogen 2.931 N/A ASN 50.A N ILE 23.A O no hydrogen 2.911 N/A ASN 50.A ND2 ARG 21.A O no hydrogen 3.235 N/A ILE 52.A N LEU 89.A O no hydrogen 2.908 N/A GLN 53.A N GLY 25.A O no hydrogen 2.974 N/A GLN 53.A NE2 SER 239.A O no hydrogen 2.910 N/A THR 54.A N ILE 91.A O no hydrogen 3.163 N/A THR 54.A OG1 ILE 27.A O no hydrogen 2.690 N/A TYR 55.A OH ASN 159.A OD1 no hydrogen 2.682 N/A VAL 56.A N ARG 93.A O no hydrogen 3.069 N/A TRP 58.A NE1 GLU 62.A OE1 no hydrogen 2.853 N/A ASN 59.A N GLY 106.A O no hydrogen 2.829 N/A ASN 59.A ND2 GLU 103.A O no hydrogen 2.867 N/A ASN 59.A ND2 LEU 107.A O no hydrogen 3.607 N/A PHE 60.A N PRO 57.A O no hydrogen 3.027 N/A HIS 61.A N TRP 58.A O no hydrogen 3.030 N/A HIS 61.A ND1 GLN 69.A O no hydrogen 2.879 N/A HIS 61.A NE2 TYR 29.A OH no hydrogen 2.586 N/A GLU 62.A N TRP 58.A O no hydrogen 2.852 N/A GLY 66.A N GLU 62.A OE2 no hydrogen 2.820 N/A GLN 67.A N TRP 64.A O no hydrogen 2.850 N/A TYR 68.A OH GLU 62.A OE2 no hydrogen 3.184 N/A GLN 69.A N HIS 61.A O no hydrogen 2.712 N/A HIS 74.A N SER 71.A O no hydrogen 2.888 N/A ASP 75.A N GLU 72.A O no hydrogen 3.120 N/A VAL 76.A N HIS 74.A O no hydrogen 3.007 N/A TYR 78.A N ASP 75.A OD1 no hydrogen 3.128 N/A PHE 79.A N ASP 75.A O no hydrogen 3.109 N/A LEU 80.A N VAL 76.A O no hydrogen 3.009 N/A ARG 81.A N GLU 77.A O no hydrogen 2.981 N/A LEU 82.A N TYR 78.A O no hydrogen 2.759 N/A ALA 83.A N PHE 79.A O no hydrogen 2.998 N/A HIS 84.A N LEU 80.A O no hydrogen 3.008 N/A GLU 85.A N ARG 81.A O no hydrogen 2.779 N/A LEU 86.A N LEU 82.A O no hydrogen 3.084 N/A LEU 86.A N ALA 83.A O no hydrogen 3.146 N/A GLY 87.A N HIS 84.A O no hydrogen 2.996 N/A LEU 88.A N ALA 83.A O no hydrogen 3.039 N/A LEU 89.A N ASN 50.A O no hydrogen 3.144 N/A VAL 90.A N PRO 151.A O no hydrogen 2.750 N/A ILE 91.A N ILE 52.A O no hydrogen 2.843 N/A LEU 92.A N THR 154.A O no hydrogen 3.026 N/A ARG 93.A N THR 54.A O no hydrogen 2.805 N/A ARG 93.A NH1 GLN 156.A OE1 no hydrogen 2.844 N/A ARG 93.A NH1 GLU 240.A OE2 no hydrogen 2.884 N/A ARG 93.A NH2 GLU 240.A OE2 no hydrogen 2.922 N/A TYR 97.A OH ASN 456.A O no hydrogen 2.648 N/A ILE 98.A N GLY 105.A O no hydrogen 2.756 N/A CYS 99.A SG TYR 97.A OH no hydrogen 3.277 N/A CYS 99.A SG ASN 456.A O no hydrogen 3.672 N/A CYS 99.A SG ASN 456.A OD1 no hydrogen 3.374 N/A TRP 102.A N CYS 99.A O no hydrogen 3.249 N/A TRP 102.A NE1 ASN 59.A OD1 no hydrogen 2.797 N/A GLU 103.A N TRP 289.A O no hydrogen 2.863 N/A MET 104.A N ARG 454.A O no hydrogen 3.061 N/A GLY 105.A N TRP 102.A O no hydrogen 2.715 N/A GLY 106.A N GLU 103.A O no hydrogen 2.914 N/A LEU 107.A N MET 104.A O no hydrogen 3.092 N/A TRP 110.A NE1 GLU 62.A O no hydrogen 2.966 N/A LEU 111.A N PRO 108.A O no hydrogen 3.077 N/A LEU 112.A N ALA 109.A O no hydrogen 2.914 N/A GLU 113.A N TRP 110.A O no hydrogen 3.106 N/A LYS 114.A N LEU 111.A O no hydrogen 3.400 N/A LYS 114.A NZ ASP 123.A OD1 no hydrogen 3.064 N/A LYS 114.A NZ ASP 123.A OD2 no hydrogen 2.946 N/A LYS 114.A NZ ASP 125.A OD2 no hydrogen 2.904 N/A ILE 117.A N LYS 114.A O no hydrogen 2.987 N/A LEU 118.A N ASP 123.A OD2 no hydrogen 2.912 N/A ARG 120.A NE GLU 158.A OE1 no hydrogen 3.447 N/A ARG 120.A NE GLU 158.A OE2 no hydrogen 2.990 N/A ARG 120.A NH2 GLU 158.A OE1 no hydrogen 2.868 N/A SER 121.A OG LEU 118.A O no hydrogen 2.692 N/A SER 122.A N.A ASP 168.A OD1 no hydrogen 2.900 N/A SER 122.A N.B ASP 168.A OD1 no hydrogen 2.895 N/A SER 122.A OG.A ASP 168.A OD1 no hydrogen 3.287 N/A SER 122.A OG.A ASP 168.A OD2 no hydrogen 2.936 N/A SER 122.A OG.B ASP 168.A OD1 no hydrogen 2.768 N/A ASP 123.A N SER 121.A OG no hydrogen 3.089 N/A ASP 125.A N ASP 123.A OD1 no hydrogen 2.998 N/A TYR 126.A N ASP 123.A OD1 no hydrogen 3.131 N/A TYR 126.A OH TYR 171.A OH no hydrogen 2.840 N/A LEU 127.A N ASP 123.A O no hydrogen 2.913 N/A ALA 128.A N PRO 124.A O no hydrogen 2.898 N/A ALA 129.A N ASP 125.A O no hydrogen 3.214 N/A VAL 130.A N TYR 126.A O no hydrogen 2.912 N/A ASP 131.A N LEU 127.A O no hydrogen 2.768 N/A LYS 132.A N ALA 128.A O no hydrogen 3.061 N/A TRP 133.A N ALA 129.A O no hydrogen 3.038 N/A LEU 134.A N VAL 130.A O no hydrogen 2.799 N/A GLY 135.A N ASP 131.A O no hydrogen 3.018 N/A VAL 136.A N TRP 133.A O no hydrogen 3.031 N/A LEU 137.A N TRP 133.A O no hydrogen 2.893 N/A LEU 138.A N LEU 134.A O no hydrogen 2.901 N/A MET 141.A N LEU 137.A O no hydrogen 3.212 N/A LYS 142.A N LEU 138.A O no hydrogen 2.895 N/A LEU 144.A N MET 141.A O no hydrogen 2.962 N/A LEU 145.A N LYS 142.A O no hydrogen 3.107 N/A TYR 146.A N VAL 152.A O no hydrogen 2.692 N/A TYR 146.A OH ASP 16.A OD2 no hydrogen 2.562 N/A ASN 148.A N LEU 145.A O no hydrogen 2.972 N/A ASN 148.A ND2 LYS 142.A O no hydrogen 2.751 N/A GLY 149.A N TYR 146.A O no hydrogen 3.150 N/A GLY 150.A N LEU 145.A O no hydrogen 2.957 N/A VAL 152.A N LEU 144.A O no hydrogen 2.891 N/A ILE 153.A N VAL 90.A O no hydrogen 2.880 N/A VAL 155.A N VAL 188.A O no hydrogen 2.920 N/A GLN 156.A N LEU 92.A O no hydrogen 2.891 N/A GLN 156.A NE2 GLU 158.A O no hydrogen 2.732 N/A GLN 156.A NE2 ASN 159.A OD1 no hydrogen 2.997 N/A VAL 157.A N PHE 190.A O no hydrogen 2.786 N/A GLU 158.A N GLY 95.A O no hydrogen 2.922 N/A ASN 159.A N GLU 158.A OE1 no hydrogen 2.723 N/A TYR 161.A OH ARG 120.A O no hydrogen 2.789 N/A GLY 162.A N ASP 193.A OD1 no hydrogen 2.817 N/A SER 163.A N GLU 160.A O no hydrogen 3.024 N/A TYR 164.A N TYR 161.A O no hydrogen 3.072 N/A TYR 164.A OH LEU 119.A O no hydrogen 2.704 N/A ASP 168.A N TYR 161.A OH no hydrogen 3.014 N/A TYR 171.A N ASP 168.A O no hydrogen 3.160 N/A TYR 171.A N ASP 168.A OD2 no hydrogen 3.162 N/A TYR 171.A OH GLU 158.A OE2 no hydrogen 2.746 N/A LEU 172.A N ASP 168.A O no hydrogen 3.444 N/A ARG 173.A N PHE 169.A O no hydrogen 2.956 N/A ARG 173.A NH2 ASP 170.A OD1 no hydrogen 2.934 N/A PHE 174.A N ASP 170.A O no hydrogen 2.836 N/A LEU 175.A N TYR 171.A O no hydrogen 3.027 N/A GLN 176.A N LEU 172.A O no hydrogen 2.977 N/A LYS 177.A N ARG 173.A O no hydrogen 2.897 N/A ARG 178.A N PHE 174.A O no hydrogen 2.957 N/A ARG 178.A NE ASP 131.A OD1 no hydrogen 2.771 N/A PHE 179.A N LEU 175.A O no hydrogen 2.722 N/A ARG 180.A N GLN 176.A O no hydrogen 2.975 N/A ARG 180.A NH1 GLY 184.A O no hydrogen 3.103 N/A ARG 180.A NH1 VAL 187.A O no hydrogen 2.760 N/A ARG 180.A NH2 VAL 187.A O no hydrogen 3.195 N/A HIS 181.A N LYS 177.A O no hydrogen 2.950 N/A HIS 182.A N ARG 178.A O no hydrogen 3.198 N/A LEU 183.A N PHE 179.A O no hydrogen 2.859 N/A GLY 184.A N ARG 180.A O no hydrogen 2.732 N/A PHE 190.A N VAL 155.A O no hydrogen 3.019 N/A THR 191.A N TYR 209.A O no hydrogen 2.857 N/A THR 192.A OG1 GLN 156.A OE1 no hydrogen 2.686 N/A THR 192.A OG1 THR 211.A OG1 no hydrogen 2.956 N/A ASP 193.A N THR 211.A O no hydrogen 3.248 N/A HIS 196.A N GLY 194.A O no hydrogen 2.865 N/A HIS 196.A ND1 THR 198.A OG1 no hydrogen 2.989 N/A THR 198.A N HIS 196.A ND1 no hydrogen 3.135 N/A THR 198.A OG1 HIS 196.A ND1 no hydrogen 2.989 N/A PHE 199.A N HIS 196.A O no hydrogen 2.883 N/A LEU 200.A N HIS 196.A O no hydrogen 3.061 N/A LYS 201.A N LYS 197.A O no hydrogen 2.980 N/A GLY 203.A N LEU 200.A O no hydrogen 3.309 N/A ALA 204.A N LEU 200.A O no hydrogen 3.107 N/A LEU 208.A N LEU 205.A O no hydrogen 3.080 N/A TYR 209.A N LEU 189.A O no hydrogen 2.883 N/A TYR 209.A OH PRO 235.A O no hydrogen 2.573 N/A THR 210.A N GLU 231.A OE1 no hydrogen 2.960 N/A THR 210.A OG1 GLU 231.A OE1 no hydrogen 3.372 N/A THR 211.A N THR 191.A O no hydrogen 2.932 N/A THR 211.A OG1 THR 191.A O no hydrogen 2.770 N/A THR 211.A OG1 SER 239.A OG no hydrogen 2.785 N/A VAL 212.A N ILE 237.A O no hydrogen 3.431 N/A ASP 213.A N ASP 193.A O no hydrogen 2.958 N/A PHE 214.A N ASN 238.A OD1 no hydrogen 3.319 N/A ASP 222.A N ASN 219.A OD1 no hydrogen 2.991 N/A ALA 223.A N ASN 219.A O no hydrogen 3.016 N/A PHE 224.A N ILE 220.A O no hydrogen 2.961 N/A LEU 225.A N THR 221.A O no hydrogen 2.862 N/A SER 226.A N ASP 222.A O no hydrogen 2.980 N/A SER 226.A OG ALA 223.A O no hydrogen 2.645 N/A GLN 227.A N ALA 223.A O no hydrogen 3.219 N/A GLN 227.A NE2 THR 210.A O no hydrogen 3.013 N/A GLN 227.A NE2 PRO 235.A O no hydrogen 3.356 N/A ARG 228.A N PHE 224.A O no hydrogen 2.886 N/A ARG 228.A NH1 GLY 234.A O no hydrogen 2.766 N/A ARG 228.A NH2 GLU 231.A O no hydrogen 2.825 N/A ARG 228.A NH2 GLY 234.A O no hydrogen 2.931 N/A LYS 229.A N LEU 225.A O no hydrogen 3.021 N/A CYS 230.A N GLN 227.A O no hydrogen 2.919 N/A CYS 230.A SG SER 226.A O no hydrogen 3.928 N/A GLU 231.A N GLN 227.A O no hydrogen 2.850 N/A GLY 234.A N ASP 11.A OD1 no hydrogen 2.873 N/A ILE 237.A N GLN 227.A OE1 no hydrogen 2.957 N/A ASN 238.A N SER 274.A O no hydrogen 3.111 N/A ASN 238.A ND2 PHE 214.A O no hydrogen 2.972 N/A SER 239.A N VAL 212.A O no hydrogen 2.862 N/A SER 239.A OG THR 192.A OG1 no hydrogen 3.226 N/A SER 239.A OG THR 211.A OG1 no hydrogen 2.785 N/A GLU 240.A N ASN 238.A OD1 no hydrogen 3.188 N/A PHE 241.A N ASN 276.A O no hydrogen 2.824 N/A TYR 242.A OH GLU 240.A OE1 no hydrogen 2.761 N/A THR 243.A N TYR 278.A O no hydrogen 2.898 N/A THR 243.A OG1 TYR 278.A O no hydrogen 3.402 N/A THR 243.A OG1 MET 279.A O no hydrogen 2.684 N/A TRP 245.A N TYR 305.A O no hydrogen 3.201 N/A TRP 249.A N ALA 298.A O no hydrogen 3.075 N/A GLY 250.A N GLY 554.A O no hydrogen 2.680 N/A GLN 251.A N HIS 248.A O no hydrogen 3.137 N/A HIS 253.A ND1 ASP 247.A OD2 no hydrogen 2.689 N/A SER 254.A N ASP 247.A OD1 no hydrogen 2.763 N/A SER 254.A OG LEU 246.A O no hydrogen 2.742 N/A SER 254.A OG ASP 247.A OD1 no hydrogen 3.297 N/A ILE 256.A N ASP 306.A OD2 no hydrogen 3.021 N/A VAL 261.A N LYS 257.A O no hydrogen 3.193 N/A ALA 262.A N THR 258.A O no hydrogen 2.844 N/A SER 263.A N GLU 259.A O no hydrogen 2.979 N/A SER 263.A OG GLU 259.A O no hydrogen 2.662 N/A SER 264.A N ALA 260.A O no hydrogen 3.085 N/A SER 264.A OG ALA 260.A O no hydrogen 3.558 N/A LEU 265.A N VAL 261.A O no hydrogen 2.861 N/A TYR 266.A N ALA 262.A O no hydrogen 2.931 N/A ASP 267.A N SER 263.A O no hydrogen 3.101 N/A ILE 268.A N SER 264.A O no hydrogen 2.862 N/A LEU 269.A N LEU 265.A O no hydrogen 2.966 N/A ALA 270.A N TYR 266.A O no hydrogen 2.982 N/A ARG 271.A N ILE 268.A O no hydrogen 3.318 N/A ARG 271.A NE ASP 267.A O no hydrogen 3.145 N/A ARG 271.A NH1 THR 221.A OG1 no hydrogen 3.224 N/A GLY 272.A N LEU 269.A O no hydrogen 2.795 N/A SER 274.A N LEU 236.A O no hydrogen 2.824 N/A VAL 275.A N TYR 22.A O no hydrogen 3.028 N/A ASN 276.A N ASN 238.A O no hydrogen 2.855 N/A ASN 276.A ND2 SER 26.A OG no hydrogen 2.774 N/A ASN 276.A ND2 SER 239.A O no hydrogen 3.122 N/A LEU 277.A N SER 24.A O no hydrogen 2.845 N/A TYR 278.A N PHE 241.A O no hydrogen 2.968 N/A TYR 278.A OH TYR 303.A OH no hydrogen 2.912 N/A PHE 280.A N SER 26.A O no hydrogen 2.860 N/A ILE 281.A N SER 26.A O no hydrogen 3.317 N/A THR 284.A N ARG 31.A O no hydrogen 2.992 N/A THR 284.A OG1 GLU 311.A OE2 no hydrogen 2.742 N/A ASN 285.A N THR 301.A O no hydrogen 2.764 N/A ASN 285.A ND2 PRO 300.A O no hydrogen 3.033 N/A ALA 287.A N ASN 545.A O no hydrogen 2.988 N/A TYR 288.A OH GLU 489.A OE1 no hydrogen 2.723 N/A TRP 289.A N PHE 286.A O no hydrogen 3.183 N/A GLY 291.A N GLU 101.A O no hydrogen 3.115 N/A ASN 293.A N ALA 297.A O no hydrogen 2.933 N/A ASN 293.A ND2 HIS 248.A NE2 no hydrogen 2.619 N/A TYR 296.A OH GLY 453.A O no hydrogen 2.652 N/A ALA 297.A N ASN 293.A O no hydrogen 2.891 N/A GLN 299.A N GLY 291.A O no hydrogen 3.119 N/A THR 301.A OG1 ARG 548.A O no hydrogen 2.636 N/A SER 302.A N GLN 556.A OE1 no hydrogen 2.767 N/A SER 302.A OG GLU 311.A OE1 no hydrogen 2.681 N/A TYR 303.A N GLY 283.A O no hydrogen 2.841 N/A TYR 303.A OH GLU 101.A OE1 no hydrogen 2.607 N/A TYR 303.A OH TYR 278.A OH no hydrogen 2.912 N/A ASP 304.A N SER 302.A OG no hydrogen 3.037 N/A ASP 306.A N ASP 304.A OD2 no hydrogen 3.002 N/A ALA 307.A N ASP 304.A O no hydrogen 3.032 N/A LEU 309.A N PHE 280.A O no hydrogen 2.942 N/A SER 310.A N ASP 314.A O no hydrogen 3.172 N/A GLU 311.A N ASP 304.A OD1 no hydrogen 2.867 N/A GLY 313.A N SER 310.A O no hydrogen 2.699 N/A ASP 314.A N SER 310.A OG no hydrogen 2.998 N/A LEU 315.A N SER 340.A OG no hydrogen 2.919 N/A THR 316.A OG1 PRO 308.A O no hydrogen 2.577 N/A LYS 318.A NZ THR 243.A O no hydrogen 2.726 N/A LYS 318.A NZ ILE 256.A O no hydrogen 2.847 N/A LYS 318.A NZ ASP 306.A O no hydrogen 2.788 N/A LYS 318.A NZ ASP 306.A OD2 no hydrogen 3.024 N/A TYR 319.A N THR 316.A OG1 no hydrogen 3.106 N/A TYR 319.A OH LYS 43.A O no hydrogen 2.695 N/A PHE 320.A N THR 316.A O no hydrogen 3.282 N/A ALA 321.A N GLU 317.A O no hydrogen 2.941 N/A LEU 322.A N LYS 318.A O no hydrogen 2.983 N/A ARG 323.A N TYR 319.A O no hydrogen 2.973 N/A ARG 323.A NE MET 46.A O no hydrogen 3.368 N/A ASN 324.A N.A PHE 320.A O no hydrogen 2.947 N/A ASN 324.A N.B PHE 320.A O no hydrogen 2.945 N/A ILE 325.A N ALA 321.A O no hydrogen 3.112 N/A ILE 326.A N LEU 322.A O no hydrogen 2.893 N/A GLN 327.A N ARG 323.A O no hydrogen 2.946 N/A LYS 328.A N ILE 325.A O no hydrogen 2.965 N/A PHE 329.A N ILE 326.A O no hydrogen 2.925 N/A GLU 330.A N.A ILE 326.A O no hydrogen 2.979 N/A GLU 330.A N.B ILE 326.A O no hydrogen 2.982 N/A THR 341.A OG1 ASP 526.A OD2 no hydrogen 2.671 N/A LYS 343.A NZ ASP 314.A OD1 no hydrogen 2.813 N/A LYS 343.A NZ THR 341.A O no hydrogen 2.849 N/A LYS 343.A NZ THR 341.A OG1 no hydrogen 2.989 N/A PHE 344.A N ASP 526.A O no hydrogen 3.010 N/A TYR 346.A OH GLN 525.A O no hydrogen 2.702 N/A GLY 347.A N PHE 596.A O no hydrogen 3.172 N/A LYS 348.A NZ GLU 590.A O.A no hydrogen 2.998 N/A LYS 348.A NZ GLU 590.A O.B no hydrogen 2.898 N/A VAL 349.A N VAL 594.A O no hydrogen 2.780 N/A LEU 351.A N CYS 592.A O no hydrogen 2.784 N/A GLU 352.A N MET 511.A O no hydrogen 2.911 N/A LEU 354.A N PHE 509.A O no hydrogen 2.849 N/A VAL 357.A N PRO 507.A O no hydrogen 2.941 N/A ALA 359.A N THR 356.A OG1 no hydrogen 2.902 N/A ALA 360.A N VAL 357.A O no hydrogen 2.952 N/A ILE 363.A N ALA 360.A O no hydrogen 3.209 N/A LEU 364.A N ALA 360.A O no hydrogen 2.987 N/A CYS 365.A N LEU 361.A O no hydrogen 2.789 N/A CYS 365.A SG GLY 368.A O no hydrogen 3.249 N/A CYS 365.A SG PRO 485.A O no hydrogen 3.401 N/A GLY 368.A N CYS 365.A O no hydrogen 3.056 N/A ILE 370.A N ILE 483.A O no hydrogen 2.871 N/A SER 372.A N TRP 481.A O no hydrogen 2.937 N/A SER 372.A OG TYR 374.A O no hydrogen 2.842 N/A THR 377.A N GLN 380.A OE1 no hydrogen 2.928 N/A PHE 378.A N LYS 465.A O no hydrogen 2.790 N/A GLN 380.A N THR 377.A OG1 no hydrogen 3.179 N/A VAL 381.A N.A THR 377.A O no hydrogen 3.255 N/A VAL 381.A N.A PHE 378.A O no hydrogen 2.975 N/A VAL 381.A N.B THR 377.A O no hydrogen 3.253 N/A VAL 381.A N.B PHE 378.A O no hydrogen 3.015 N/A LYS 382.A N ILE 379.A O no hydrogen 3.116 N/A GLN 383.A N PHE 378.A O no hydrogen 3.085 N/A GLN 383.A NE2 TYR 385.A O no hydrogen 2.847 N/A GLN 383.A NE2 PHE 387.A O no hydrogen 2.752 N/A GLN 383.A NE2 LEU 486.A O no hydrogen 3.449 N/A VAL 388.A N VAL 449.A O no hydrogen 3.016 N/A LEU 389.A N PHE 484.A O no hydrogen 2.969 N/A TYR 390.A N LEU 447.A O no hydrogen 2.873 N/A TYR 390.A OH LEU 376.A O no hydrogen 2.540 N/A ARG 391.A N THR 482.A O no hydrogen 2.937 N/A ARG 391.A NE ASP 446.A OD1 no hydrogen 2.674 N/A ARG 391.A NH2 ASP 446.A OD1 no hydrogen 3.529 N/A ARG 391.A NH2 ASP 446.A OD2 no hydrogen 2.840 N/A THR 392.A N LEU 445.A O no hydrogen 2.863 N/A THR 392.A OG1 THR 479.A O no hydrogen 3.196 N/A THR 392.A OG1 ASP 480.A O no hydrogen 2.893 N/A THR 393.A N.A THR 392.A OG1 no hydrogen 2.777 N/A LEU 394.A N ALA 443.A O no hydrogen 2.860 N/A GLN 396.A NE2 LEU 473.A O no hydrogen 3.401 N/A CYS 398.A N GLY 439.A O no hydrogen 2.871 N/A CYS 398.A SG GLN 396.A O no hydrogen 3.573 N/A SER 399.A N ASP 397.A OD2 no hydrogen 2.957 N/A SER 399.A OG ASP 397.A OD1 no hydrogen 3.014 N/A SER 399.A OG ASP 397.A OD2 no hydrogen 2.693 N/A ALA 402.A N ILE 437.A O no hydrogen 2.836 N/A LEU 404.A N LEU 435.A O no hydrogen 2.844 N/A SER 405.A N THR 472.A O no hydrogen 2.853 N/A SER 405.A OG ILE 433.A O no hydrogen 3.214 N/A SER 405.A OG THR 434.A OG1 no hydrogen 3.104 N/A SER 406.A N ILE 433.A O no hydrogen 2.886 N/A ASN 409.A N SER 406.A O no hydrogen 2.777 N/A GLY 410.A N SER 406.A OG no hydrogen 2.765 N/A HIS 412.A N GLY 466.A O no hydrogen 2.866 N/A ASP 413.A N GLU 450.A O no hydrogen 2.992 N/A ARG 414.A NE GLU 580.A OE2 no hydrogen 2.916 N/A ARG 414.A NH1 GLU 580.A OE2 no hydrogen 2.752 N/A ALA 415.A N LEU 427.A O no hydrogen 2.883 N/A TYR 416.A N LEU 448.A O no hydrogen 2.863 N/A TYR 416.A OH GLU 450.A OE1 no hydrogen 2.716 N/A VAL 417.A N GLY 425.A O no hydrogen 3.024 N/A ALA 418.A N ASP 446.A O no hydrogen 2.978 N/A VAL 419.A N ILE 422.A O no hydrogen 2.929 N/A ASP 420.A N THR 444.A O no hydrogen 2.902 N/A ILE 422.A N VAL 419.A O no hydrogen 2.922 N/A GLN 424.A N VAL 417.A O no hydrogen 2.754 N/A GLN 424.A NE2 ILE 422.A O no hydrogen 2.949 N/A LEU 427.A N ALA 415.A O no hydrogen 2.989 N/A GLU 428.A N VAL 432.A O no hydrogen 2.934 N/A ARG 429.A N ASP 413.A O no hydrogen 2.939 N/A ARG 429.A NH1 ASP 413.A OD1 no hydrogen 2.872 N/A ARG 429.A NH1 ASP 463.A OD1 no hydrogen 2.982 N/A ASN 431.A N ARG 429.A O no hydrogen 2.873 N/A VAL 432.A N GLU 428.A O no hydrogen 3.247 N/A THR 434.A OG1 SER 405.A OG no hydrogen 3.104 N/A LEU 435.A N LEU 404.A O no hydrogen 2.942 N/A ILE 437.A N ALA 402.A O no hydrogen 2.888 N/A THR 438.A N GLN 424.A OE1 no hydrogen 3.180 N/A GLY 439.A N CYS 398.A O no hydrogen 3.037 N/A GLY 442.A N LEU 394.A O no hydrogen 2.680 N/A ALA 443.A N LYS 440.A O no hydrogen 2.948 N/A THR 444.A N ASP 420.A OD1 no hydrogen 2.824 N/A LEU 445.A N THR 392.A O no hydrogen 2.809 N/A ASP 446.A N ALA 418.A O no hydrogen 2.840 N/A LEU 447.A N TYR 390.A O no hydrogen 2.735 N/A LEU 448.A N TYR 416.A O no hydrogen 2.937 N/A VAL 449.A N VAL 388.A O no hydrogen 2.876 N/A GLU 450.A N ARG 414.A O no hydrogen 2.888 N/A ASN 451.A N GLY 386.A O no hydrogen 3.012 N/A MET 452.A N ASP 413.A OD2 no hydrogen 2.737 N/A ARG 454.A N GLU 103.A OE1 no hydrogen 2.834 N/A ARG 454.A NE ASP 463.A O no hydrogen 2.936 N/A ARG 454.A NH1 GLU 103.A OE2 no hydrogen 3.140 N/A ARG 454.A NH1 HIS 384.A O no hydrogen 2.836 N/A ARG 454.A NH2 HIS 384.A O no hydrogen 2.923 N/A ARG 454.A NH2 PHE 464.A O no hydrogen 3.110 N/A VAL 455.A N ASP 463.A OD2 no hydrogen 3.035 N/A ASN 456.A N ALA 292.A O no hydrogen 2.934 N/A LYS 465.A NZ ASP 413.A OD1 no hydrogen 2.904 N/A LYS 465.A NZ ASP 413.A OD2 no hydrogen 2.795 N/A LYS 465.A NZ GLY 453.A O no hydrogen 2.985 N/A LYS 465.A NZ ASP 463.A OD1 no hydrogen 3.313 N/A LYS 465.A NZ ASP 463.A OD2 no hydrogen 2.754 N/A GLY 466.A N HIS 412.A O no hydrogen 2.855 N/A LEU 467.A N TYR 390.A OH no hydrogen 3.183 N/A VAL 468.A N GLY 410.A O no hydrogen 2.928 N/A THR 472.A N SER 405.A O no hydrogen 2.759 N/A LEU 473.A N ASN 476.A O no hydrogen 2.878 N/A SER 474.A N PRO 403.A O no hydrogen 3.015 N/A SER 474.A OG GLN 396.A OE1 no hydrogen 3.395 N/A ASN 476.A N LEU 473.A O no hydrogen 3.078 N/A LEU 478.A N LEU 471.A O no hydrogen 2.819 N/A THR 479.A OG1 ASP 480.A OD2 no hydrogen 2.857 N/A ASP 480.A N LEU 373.A O no hydrogen 2.882 N/A TRP 481.A N SER 372.A O no hydrogen 2.761 N/A TRP 481.A NE1 LEU 478.A O no hydrogen 2.916 N/A THR 482.A N ARG 391.A O no hydrogen 2.873 N/A ILE 483.A N ILE 370.A O no hydrogen 2.858 N/A PHE 484.A N LEU 389.A O no hydrogen 2.786 N/A ASP 487.A N.A LEU 364.A O no hydrogen 2.735 N/A ASP 487.A N.B LEU 364.A O no hydrogen 2.829 N/A THR 488.A OG1 GLU 489.A OE1 no hydrogen 2.672 N/A ASP 490.A N ASP 487.A OD1.B no hydrogen 3.269 N/A ALA 491.A N ASP 487.A O.A no hydrogen 3.091 N/A ALA 491.A N ASP 487.A O.B no hydrogen 3.117 N/A VAL 492.A N THR 488.A O no hydrogen 2.874 N/A ARG 493.A N GLU 489.A O no hydrogen 3.152 N/A SER 494.A N ASP 490.A O no hydrogen 3.178 N/A SER 494.A N ALA 491.A O no hydrogen 3.215 N/A SER 494.A OG ALA 491.A O no hydrogen 3.288 N/A HIS 495.A N VAL 492.A O no hydrogen 3.031 N/A LEU 496.A N ALA 491.A O no hydrogen 2.793 N/A GLY 497.A N SER 494.A OG no hydrogen 3.040 N/A GLY 498.A N HIS 495.A O no hydrogen 3.022 N/A TRP 499.A N SER 494.A O no hydrogen 2.908 N/A GLY 500.A N GLY 497.A O no hydrogen 3.070 N/A TYR 504.A N ASN 503.A OD1 no hydrogen 3.252 N/A THR 505.A N GLU 580.A O no hydrogen 2.802 N/A ALA 508.A N GLU 578.A O no hydrogen 3.165 N/A PHE 509.A N LYS 355.A O no hydrogen 2.909 N/A TYR 510.A N VAL 576.A O no hydrogen 2.757 N/A MET 511.A N GLU 352.A O no hydrogen 2.871 N/A GLY 512.A N ILE 574.A O no hydrogen 3.064 N/A PHE 514.A N ASN 572.A O no hydrogen 2.908 N/A LEU 523.A N ILE 520.A O no hydrogen 3.063 N/A GLN 525.A N TYR 346.A OH no hydrogen 2.764 N/A GLN 525.A NE2 ASP 522.A O no hydrogen 2.915 N/A THR 527.A N VAL 561.A O no hydrogen 3.074 N/A THR 527.A OG1 PHE 344.A O no hydrogen 2.658 N/A THR 527.A OG1 VAL 597.A O no hydrogen 3.237 N/A PHE 528.A N THR 527.A OG1 no hydrogen 2.854 N/A PHE 528.A N VAL 597.A O no hydrogen 3.082 N/A ILE 529.A N LEU 559.A O no hydrogen 2.903 N/A GLN 530.A N THR 595.A O no hydrogen 2.806 N/A TRP 534.A N PHE 531.A O no hydrogen 3.178 N/A TRP 534.A NE1 ALA 593.A O no hydrogen 2.748 N/A THR 535.A N GLU 578.A OE1 no hydrogen 2.969 N/A THR 535.A OG1 TRP 581.A O no hydrogen 2.820 N/A LYS 536.A N GLU 578.A OE2 no hydrogen 3.084 N/A LYS 536.A NZ GLU 450.A OE1 no hydrogen 2.808 N/A LYS 536.A NZ GLU 450.A OE2 no hydrogen 3.165 N/A GLY 537.A N TYR 549.A O no hydrogen 3.094 N/A GLN 538.A N LEU 577.A O no hydrogen 2.973 N/A GLN 538.A NE2 ALA 287.A O no hydrogen 3.146 N/A VAL 539.A N GLY 547.A O no hydrogen 3.117 N/A TRP 540.A N THR 575.A O no hydrogen 2.874 N/A TRP 540.A NE1 GLU 489.A OE2 no hydrogen 2.950 N/A ILE 541.A N PHE 544.A O.A no hydrogen 3.108 N/A ILE 541.A N PHE 544.A O.B no hydrogen 3.100 N/A ASN 542.A N THR 573.A O no hydrogen 2.707 N/A ASN 542.A ND2 ILE 565.A O no hydrogen 2.928 N/A ASN 542.A ND2 ASN 572.A OD1 no hydrogen 2.781 N/A PHE 544.A N.A ILE 541.A O no hydrogen 2.946 N/A PHE 544.A N.B ILE 541.A O no hydrogen 2.943 N/A LEU 546.A N VAL 539.A O no hydrogen 2.947 N/A ARG 548.A N THR 301.A OG1 no hydrogen 2.935 N/A ARG 548.A NH1 GLU 450.A OE2 no hydrogen 2.864 N/A ARG 548.A NH1 ASN 451.A O no hydrogen 2.863 N/A ARG 548.A NH2 ASN 451.A O no hydrogen 3.415 N/A TYR 549.A N GLY 537.A O no hydrogen 2.855 N/A TYR 549.A OH GLU 578.A OE1 no hydrogen 2.663 N/A ARG 553.A N TRP 550.A O no hydrogen 2.881 N/A GLY 554.A N TRP 550.A O no hydrogen 3.023 N/A GLN 556.A NE2 THR 558.A O no hydrogen 2.835 N/A LEU 557.A N VAL 601.A O no hydrogen 2.811 N/A THR 558.A N VAL 601.A O no hydrogen 3.197 N/A THR 558.A OG1 VAL 601.A O no hydrogen 3.448 N/A LEU 559.A N ILE 529.A O no hydrogen 2.859 N/A VAL 561.A N THR 527.A O no hydrogen 2.917 N/A GLN 563.A N ASP 526.A OD1 no hydrogen 2.931 N/A ILE 565.A N PRO 562.A O no hydrogen 3.481 N/A LEU 566.A N GLN 563.A O no hydrogen 2.970 N/A MET 567.A N.A ASN 572.A OD1 no hydrogen 2.784 N/A MET 567.A N.B ASN 572.A OD1 no hydrogen 2.766 N/A SER 569.A N ILE 516.A O no hydrogen 3.048 N/A ALA 570.A N THR 568.A O no hydrogen 2.790 N/A ASN 572.A N PHE 514.A O no hydrogen 2.758 N/A ASN 572.A ND2 PHE 514.A O no hydrogen 3.123 N/A ASN 572.A ND2 MET 567.A O.A no hydrogen 2.995 N/A ASN 572.A ND2 MET 567.A O.B no hydrogen 3.116 N/A THR 573.A N ASN 542.A OD1 no hydrogen 2.912 N/A THR 573.A OG1 ASN 513.A OD1 no hydrogen 2.804 N/A ILE 574.A N GLY 512.A O no hydrogen 2.819 N/A THR 575.A N TRP 540.A O no hydrogen 2.864 N/A VAL 576.A N TYR 510.A O no hydrogen 2.767 N/A LEU 577.A N GLN 538.A O no hydrogen 2.875 N/A GLU 578.A N ALA 508.A O no hydrogen 3.109 N/A LEU 579.A N LYS 536.A O no hydrogen 2.761 N/A GLU 580.A N GLU 578.A OE2 no hydrogen 2.910 N/A TRP 581.A N GLU 578.A OE2 no hydrogen 2.941 N/A ALA 582.A N THR 505.A OG1 no hydrogen 3.264 N/A ASP 588.A N SER 586.A OG no hydrogen 3.212 N/A LEU 591.A N ASP 588.A O no hydrogen 3.254 N/A CYS 592.A N PRO 589.A O no hydrogen 3.088 N/A CYS 592.A SG LEU 351.A O no hydrogen 3.285 N/A VAL 594.A N VAL 349.A O no hydrogen 2.963 N/A THR 595.A N GLN 530.A O no hydrogen 3.116 N/A PHE 596.A N GLY 347.A O no hydrogen 2.837 N/A VAL 597.A N PHE 528.A O no hydrogen 2.743 N/A VAL 601.A N THR 558.A OG1 no hydrogen 2.765 N/A