Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5g0r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ TYR 377.A OH no hydrogen 2.898 N/A LEU 4.A N ASP 342.A OD2 no hydrogen 2.894 N/A ILE 6.A N LYS 3.A O no hydrogen 3.179 N/A LEU 9.A N PHE 5.A O no hydrogen 3.107 N/A LYS 10.A N ILE 6.A O no hydrogen 2.946 N/A LYS 11.A N ASN 7.A O no hydrogen 3.052 N/A LYS 12.A N ALA 8.A O no hydrogen 3.117 N/A LYS 12.A N LEU 9.A O no hydrogen 3.220 N/A LYS 12.A NZ PRO 70.A O no hydrogen 2.785 N/A LYS 12.A NZ ASP 337.A OD1 no hydrogen 3.434 N/A LYS 12.A NZ ASP 337.A OD2 no hydrogen 2.753 N/A LYS 12.A NZ ASP 391.A OD1 no hydrogen 2.936 N/A PHE 13.A N LEU 9.A O no hydrogen 3.281 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 2.848 N/A SER 16.A N GLU 19.A OE2 no hydrogen 2.815 N/A SER 16.A OG.A GLU 18.A OE1 no hydrogen 3.207 N/A SER 16.A OG.A GLU 19.A OE2 no hydrogen 3.265 N/A SER 16.A OG.B GLU 18.A OE1 no hydrogen 2.939 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.834 N/A GLU 19.A N SER 16.A O no hydrogen 3.002 N/A THR 22.A OG1 GLU 15.A OE2 no hydrogen 2.756 N/A THR 23.A N THR 22.A OG1 no hydrogen 2.757 N/A TYR 25.A N GLN 65.A O no hydrogen 2.905 N/A LYS 31.A N GLY 28.A O no hydrogen 3.070 N/A GLN 32.A N GLY 29.A O no hydrogen 3.303 N/A GLN 32.A NE2 GLY 29.A O no hydrogen 3.141 N/A GLN 32.A NE2 ARG 66.A O no hydrogen 3.091 N/A SER 33.A N TRP 30.A O no hydrogen 2.997 N/A SER 33.A OG GLU 81.A OE1 no hydrogen 2.591 N/A SER 33.A OG GLU 81.A OE2 no hydrogen 3.252 N/A ARG 35.A N GLU 81.A OE2 no hydrogen 3.001 N/A ARG 35.A NE ASP 84.A OD1 no hydrogen 2.746 N/A ARG 35.A NH2 ASP 84.A OD1 no hydrogen 3.569 N/A ARG 35.A NH2 ASP 84.A OD2 no hydrogen 3.034 N/A LYS 36.A N SER 33.A OG no hydrogen 2.861 N/A LYS 36.A NZ ASP 83.A OD2 no hydrogen 2.765 N/A THR 37.A N SER 33.A O no hydrogen 2.988 N/A THR 37.A OG1 SER 33.A O no hydrogen 2.788 N/A GLU 38.A N GLU 34.A O no hydrogen 3.019 N/A PHE 39.A N ARG 35.A O no hydrogen 2.934 N/A VAL 40.A N LYS 36.A O no hydrogen 2.833 N/A ASN 41.A N THR 37.A O no hydrogen 3.058 N/A ALA 42.A N GLU 38.A O no hydrogen 2.926 N/A GLY 43.A N PHE 39.A O no hydrogen 2.813 N/A LYS 44.A N VAL 40.A O no hydrogen 3.124 N/A GLU 45.A N.A ASN 41.A O no hydrogen 3.206 N/A GLU 45.A N.B ASN 41.A O no hydrogen 3.215 N/A VAL 46.A N ALA 42.A O no hydrogen 2.857 N/A ALA 47.A N GLY 43.A O no hydrogen 3.005 N/A ALA 48.A N LYS 44.A O no hydrogen 3.137 N/A LYS 49.A N GLU 45.A O.A no hydrogen 2.974 N/A LYS 49.A N GLU 45.A O.B no hydrogen 2.877 N/A ARG 50.A N VAL 46.A O no hydrogen 3.031 N/A ARG 50.A NE ILE 52.A O no hydrogen 2.931 N/A ARG 50.A NH2 ILE 52.A O no hydrogen 3.443 N/A ARG 50.A NH2 PRO 53.A O no hydrogen 2.934 N/A GLY 51.A N ALA 47.A O no hydrogen 2.879 N/A TYR 55.A N GLN 54.A OE1 no hydrogen 3.087 N/A ASP 58.A N ASN 56.A OD1 no hydrogen 2.855 N/A ILE 59.A N ASN 56.A O no hydrogen 3.201 N/A GLN 65.A NE2 PRO 62.A O no hydrogen 2.980 N/A ARG 66.A NE VAL 67.A O no hydrogen 2.922 N/A ARG 66.A NH1 GLU 390.A O no hydrogen 3.070 N/A ARG 66.A NH2 VAL 67.A O no hydrogen 3.523 N/A ARG 66.A NH2 GLU 390.A O no hydrogen 3.409 N/A LEU 68.A N GLN 32.A OE1 no hydrogen 2.879 N/A TYR 71.A N VAL 80.A O no hydrogen 2.733 N/A TYR 71.A OH GLN 329.A OE1 no hydrogen 2.640 N/A GLN 72.A N ASP 337.A OD1 no hydrogen 2.912 N/A GLN 72.A NE2 THR 76.A O no hydrogen 3.124 N/A VAL 73.A N THR 78.A O no hydrogen 2.951 N/A SER 74.A N TYR 335.A O no hydrogen 2.929 N/A THR 75.A N ASN 338.A OD1 no hydrogen 3.186 N/A THR 75.A OG1 SER 74.A O no hydrogen 2.631 N/A THR 76.A N VAL 73.A O no hydrogen 2.991 N/A THR 76.A OG1 VAL 73.A O no hydrogen 2.748 N/A THR 78.A N THR 76.A OG1 no hydrogen 2.917 N/A VAL 80.A N TYR 71.A O no hydrogen 2.924 N/A ASP 84.A N GLU 81.A O no hydrogen 3.011 N/A LEU 85.A N GLY 82.A O no hydrogen 2.926 N/A HIS 86.A N ASP 83.A O no hydrogen 3.172 N/A HIS 86.A NE2 VAL 325.A O no hydrogen 2.775 N/A VAL 88.A N HIS 86.A ND1 no hydrogen 3.048 N/A ASN 89.A N HIS 86.A O no hydrogen 2.950 N/A ASN 89.A ND2 ASP 83.A O no hydrogen 2.869 N/A ASN 90.A N PHE 87.A O no hydrogen 3.350 N/A ASN 90.A ND2 ASP 84.A O no hydrogen 3.070 N/A ASN 90.A ND2 PHE 522.A O no hydrogen 3.130 N/A MET 93.A N ASN 90.A OD1 no hydrogen 3.097 N/A GLN 94.A N ASN 90.A O no hydrogen 3.245 N/A GLN 94.A NE2 PHE 87.A O no hydrogen 2.873 N/A GLN 95.A N ALA 91.A O no hydrogen 2.918 N/A GLN 95.A NE2 ASP 99.A OD1 no hydrogen 2.827 N/A GLN 95.A NE2 THR 211.A OG1 no hydrogen 3.154 N/A MET 96.A N ALA 92.A O no hydrogen 2.875 N/A TRP 97.A N MET 93.A O no hydrogen 3.336 N/A TRP 97.A NE1 TYR 320.A OH no hydrogen 3.025 N/A ASP 98.A N GLN 94.A O no hydrogen 2.955 N/A ASP 99.A N GLN 95.A O no hydrogen 2.846 N/A ILE 100.A N MET 96.A O no hydrogen 3.239 N/A ARG 101.A N TRP 97.A O no hydrogen 2.836 N/A ARG 101.A NE SER 214.A OG no hydrogen 2.872 N/A ARG 101.A NH2 ASP 98.A OD1 no hydrogen 2.731 N/A ARG 102.A N ASP 98.A O no hydrogen 2.899 N/A ARG 102.A NE ASP 99.A OD1 no hydrogen 2.895 N/A ARG 102.A NH1 ASP 159.A O no hydrogen 2.879 N/A ARG 102.A NH1 ILE 209.A O no hydrogen 2.935 N/A ARG 102.A NH2 ASP 99.A OD1 no hydrogen 2.891 N/A THR 103.A N ILE 100.A O no hydrogen 3.095 N/A THR 103.A OG1 ASP 99.A O no hydrogen 2.765 N/A VAL 104.A N VAL 207.A O no hydrogen 3.054 N/A ILE 105.A N ILE 259.A O no hydrogen 3.229 N/A VAL 106.A N GLN 205.A O no hydrogen 2.853 N/A GLY 107.A N GLU 257.A O no hydrogen 2.800 N/A LEU 108.A N ILE 203.A O no hydrogen 3.002 N/A ASN 109.A N GLU 257.A OE1.B no hydrogen 3.082 N/A ASN 109.A N GLU 257.A OE2.A no hydrogen 2.692 N/A ASN 109.A ND2 GLU 257.A OE2.A no hydrogen 2.745 N/A HIS 110.A N GLU 257.A OE1.A no hydrogen 2.613 N/A HIS 110.A N GLU 257.A OE1.B no hydrogen 3.167 N/A HIS 110.A ND1 GLU 257.A OE1.A no hydrogen 2.763 N/A ALA 111.A N GLU 257.A OE2.B no hydrogen 3.336 N/A HIS 112.A N LEU 108.A O no hydrogen 2.860 N/A ALA 113.A N ASN 109.A O no hydrogen 3.158 N/A VAL 114.A N HIS 110.A O no hydrogen 2.781 N/A ILE 115.A N ALA 111.A O no hydrogen 3.030 N/A GLU 116.A N HIS 112.A O no hydrogen 2.837 N/A LYS 117.A N ALA 113.A O no hydrogen 2.516 N/A ARG 118.A N VAL 114.A O no hydrogen 2.901 N/A LEU 119.A N VAL 114.A O no hydrogen 3.000 N/A LYS 121.A N ILE 115.A O no hydrogen 2.779 N/A VAL 123.A N GLU 116.A OE2 no hydrogen 3.281 N/A THR 124.A N THR 127.A OG1 no hydrogen 2.954 N/A THR 127.A N THR 124.A OG1 no hydrogen 3.098 N/A THR 127.A OG1 THR 124.A O no hydrogen 3.158 N/A THR 127.A OG1 TYR 238.A OH no hydrogen 2.914 N/A ILE 128.A N THR 124.A O no hydrogen 2.870 N/A THR 129.A N PRO 125.A O no hydrogen 2.862 N/A THR 129.A OG1 PRO 125.A O no hydrogen 3.000 N/A HIS 130.A N GLU 126.A O no hydrogen 3.074 N/A TYR 131.A N THR 127.A O no hydrogen 2.901 N/A TYR 131.A OH GLN 205.A OE1 no hydrogen 2.685 N/A LEU 132.A N ILE 128.A O no hydrogen 2.814 N/A GLU 133.A N THR 129.A O no hydrogen 2.873 N/A THR 134.A N HIS 130.A O no hydrogen 3.053 N/A THR 134.A OG1 HIS 130.A O no hydrogen 2.856 N/A VAL 135.A N TYR 131.A O no hydrogen 2.822 N/A ASN 136.A N LEU 132.A O no hydrogen 2.980 N/A ASN 136.A ND2 LEU 132.A O no hydrogen 2.893 N/A ASN 136.A ND2 VAL 162.A O no hydrogen 2.994 N/A HIS 137.A N GLU 133.A O no hydrogen 3.222 N/A HIS 137.A NE2 ALA 143.A O no hydrogen 2.839 N/A ALA 138.A N THR 134.A O no hydrogen 2.949 N/A MET 139.A N VAL 135.A O no hydrogen 2.758 N/A GLY 141.A N ALA 138.A O no hydrogen 2.885 N/A ALA 142.A N ALA 138.A O no hydrogen 3.233 N/A ALA 143.A N GLU 151.A OE2 no hydrogen 2.849 N/A HIS 148.A N GLU 147.A OE1 no hydrogen 2.810 N/A THR 152.A N GLY 141.A O no hydrogen 3.003 N/A THR 152.A OG1 PRO 140.A O no hydrogen 2.757 N/A THR 152.A OG1 GLY 141.A O no hydrogen 3.257 N/A ALA 155.A N HIS 153.A ND1 no hydrogen 3.083 N/A LEU 156.A N HIS 153.A O no hydrogen 2.899 N/A VAL 157.A N PRO 154.A O no hydrogen 3.306 N/A SER 160.A N VAL 157.A O no hydrogen 3.129 N/A SER 160.A OG ARG 208.A O no hydrogen 2.799 N/A TYR 161.A N ARG 208.A O no hydrogen 3.131 N/A TYR 161.A OH ASP 508.A OD2 no hydrogen 2.618 N/A VAL 162.A N ASN 136.A OD1 no hydrogen 2.886 N/A LYS 163.A N VAL 206.A O no hydrogen 3.028 N/A LYS 163.A NZ ASP 508.A OD1 no hydrogen 2.736 N/A LYS 163.A NZ ASN 510.A OD1 no hydrogen 2.844 N/A VAL 164.A N PHE 179.A O no hydrogen 2.800 N/A PHE 165.A N TRP 204.A O no hydrogen 2.965 N/A THR 166.A OG1 GLY 202.A O no hydrogen 2.727 N/A ASN 168.A N THR 166.A OG1 no hydrogen 3.187 N/A GLU 170.A N GLU 170.A OE1.A no hydrogen 2.801 N/A ILE 171.A N ASN 168.A OD1 no hydrogen 3.111 N/A ALA 172.A N ASN 168.A O no hydrogen 2.950 N/A ASP 173.A N ASP 169.A O no hydrogen 2.874 N/A GLU 174.A N ILE 171.A O no hydrogen 3.160 N/A ILE 175.A N ILE 171.A O no hydrogen 3.119 N/A ASP 176.A N THR 129.A OG1 no hydrogen 3.221 N/A ALA 178.A N ASP 176.A OD1 no hydrogen 2.935 N/A PHE 179.A N ASP 176.A O no hydrogen 3.091 N/A VAL 180.A N PRO 177.A O no hydrogen 3.287 N/A ILE 181.A N VAL 164.A O no hydrogen 2.884 N/A ASN 184.A ND2 ASP 169.A OD1 no hydrogen 2.814 N/A LYS 185.A N ASP 182.A O no hydrogen 3.150 N/A LYS 185.A N ASP 182.A OD1 no hydrogen 3.132 N/A LYS 185.A NZ GLN 186.A OE1.A no hydrogen 3.364 N/A GLN 186.A N ASP 182.A O no hydrogen 3.037 N/A GLN 186.A NE2.A ALA 507.A O no hydrogen 3.065 N/A PHE 187.A N ILE 183.A O no hydrogen 3.142 N/A GLN 191.A NE2 SER 290.A O no hydrogen 3.092 N/A ALA 192.A N PRO 188.A O no hydrogen 2.861 N/A GLU 193.A N GLU 189.A O no hydrogen 2.986 N/A THR 194.A N ASP 190.A O no hydrogen 3.117 N/A THR 194.A OG1 ASP 190.A O no hydrogen 3.294 N/A LEU 195.A N GLN 191.A O no hydrogen 2.895 N/A LYS 196.A N ALA 192.A O no hydrogen 2.870 N/A LYS 196.A NZ ASP 169.A OD1 no hydrogen 3.463 N/A LYS 196.A NZ ASP 169.A OD2 no hydrogen 2.904 N/A LYS 196.A NZ ASN 184.A OD1 no hydrogen 2.809 N/A LYS 196.A NZ GLU 193.A OE2.A no hydrogen 2.943 N/A ALA 197.A N GLU 193.A O no hydrogen 3.075 N/A GLU 198.A N THR 194.A O no hydrogen 3.061 N/A VAL 199.A N LEU 195.A O no hydrogen 2.992 N/A GLY 200.A N LYS 196.A O no hydrogen 2.769 N/A GLY 202.A N VAL 199.A O no hydrogen 3.170 N/A ILE 203.A N ASN 109.A OD1 no hydrogen 3.006 N/A TRP 204.A N PHE 165.A O no hydrogen 3.003 N/A GLN 205.A N VAL 106.A O no hydrogen 2.807 N/A GLN 205.A NE2 VAL 106.A O no hydrogen 3.197 N/A VAL 206.A N LYS 163.A O no hydrogen 2.771 N/A VAL 207.A N VAL 104.A O no hydrogen 2.923 N/A ARG 208.A N TYR 161.A O no hydrogen 2.966 N/A ARG 208.A NE TYR 161.A OH no hydrogen 2.976 N/A ARG 208.A NH1 THR 103.A OG1 no hydrogen 2.956 N/A ARG 208.A NH1 ALA 505.A O no hydrogen 3.353 N/A ARG 208.A NH2 ALA 505.A O no hydrogen 2.751 N/A ARG 208.A NH2 ASP 508.A OD2 no hydrogen 2.837 N/A ILE 209.A N ARG 102.A O no hydrogen 2.879 N/A THR 211.A N ASP 159.A OD2 no hydrogen 2.784 N/A THR 211.A OG1 ASP 159.A OD2 no hydrogen 2.746 N/A SER 214.A N PRO 210.A O no hydrogen 3.018 N/A ARG 215.A N THR 211.A O no hydrogen 2.906 N/A ARG 215.A NH1 ASP 98.A OD2 no hydrogen 2.902 N/A ARG 215.A NH2 GLN 94.A OE1 no hydrogen 3.096 N/A THR 216.A N ILE 212.A O no hydrogen 3.069 N/A THR 216.A OG1 ILE 212.A O no hydrogen 2.876 N/A CYS 217.A N VAL 213.A O no hydrogen 2.810 N/A GLY 219.A N GLU 274.A OE2 no hydrogen 2.905 N/A THR 221.A N ASP 218.A O no hydrogen 3.261 N/A THR 221.A N ASP 218.A OD1 no hydrogen 3.071 N/A THR 221.A OG1 ASP 218.A O no hydrogen 3.287 N/A THR 221.A OG1 ASP 218.A OD1 no hydrogen 2.828 N/A THR 222.A N GLY 219.A O no hydrogen 3.071 N/A THR 222.A OG1 ARG 101.A O no hydrogen 2.713 N/A THR 222.A OG1 GLY 219.A O no hydrogen 3.260 N/A SER 223.A OG HIS 260.A NE2 no hydrogen 2.836 N/A ARG 224.A NH1 ALA 220.A O no hydrogen 2.971 N/A TRP 225.A N THR 221.A O no hydrogen 2.902 N/A TRP 225.A NE1 MET 139.A O no hydrogen 2.774 N/A SER 226.A N THR 222.A O no hydrogen 2.998 N/A ALA 227.A N SER 223.A O no hydrogen 3.013 N/A MET 228.A N ARG 224.A O no hydrogen 2.931 N/A GLN 229.A N TRP 225.A O no hydrogen 3.277 N/A GLN 229.A NE2 ALA 138.A O no hydrogen 2.962 N/A ILE 230.A N SER 226.A O no hydrogen 2.931 N/A GLY 231.A N ALA 227.A O no hydrogen 2.908 N/A MET 232.A N MET 228.A O no hydrogen 2.999 N/A SER 233.A N GLN 229.A O no hydrogen 2.970 N/A SER 233.A OG GLN 229.A O no hydrogen 2.819 N/A MET 234.A N ILE 230.A O no hydrogen 2.834 N/A ILE 235.A N GLY 231.A O no hydrogen 3.119 N/A SER 236.A N MET 232.A O no hydrogen 2.975 N/A ALA 237.A N SER 233.A O no hydrogen 2.784 N/A TYR 238.A N MET 234.A O no hydrogen 3.115 N/A TYR 238.A OH THR 127.A OG1 no hydrogen 2.914 N/A LYS 239.A N SER 236.A O no hydrogen 3.328 N/A GLN 240.A N ILE 235.A O no hydrogen 2.962 N/A GLN 240.A NE2 TYR 238.A O no hydrogen 3.454 N/A GLY 243.A N ALA 241.A O no hydrogen 2.895 N/A GLU 244.A N THR 247.A OG1 no hydrogen 2.878 N/A THR 247.A N GLU 244.A O no hydrogen 2.966 N/A THR 247.A OG1 GLU 244.A O no hydrogen 2.979 N/A GLY 248.A N ALA 245.A O no hydrogen 3.081 N/A ASP 249.A N ALA 246.A O no hydrogen 2.928 N/A ALA 251.A N THR 247.A O no hydrogen 3.187 N/A TYR 252.A N GLY 248.A O no hydrogen 2.949 N/A ALA 253.A N ASP 249.A O no hydrogen 2.996 N/A ALA 254.A N PHE 250.A O no hydrogen 2.942 N/A LYS 255.A N ALA 251.A O no hydrogen 2.862 N/A GLU 257.A N ALA 253.A O no hydrogen 2.865 N/A ILE 259.A N ILE 105.A O no hydrogen 2.794 N/A HIS 260.A NE2 SER 223.A OG no hydrogen 2.836 N/A MET 261.A N ASN 273.A OD1 no hydrogen 2.787 N/A GLY 262.A N ASN 273.A OD1 no hydrogen 3.396 N/A THR 263.A N GLY 277.A O no hydrogen 3.158 N/A LEU 265.A N ARG 270.A O no hydrogen 3.071 N/A ARG 270.A NH1 TYR 320.A O no hydrogen 3.284 N/A ARG 270.A NH2 TYR 320.A O no hydrogen 2.822 N/A GLU 272.A N GLU 272.A OE1 no hydrogen 2.824 N/A ASN 273.A N GLY 262.A O no hydrogen 2.897 N/A ASN 273.A ND2 ARG 101.A O no hydrogen 2.907 N/A ASN 273.A ND2 THR 103.A O no hydrogen 2.915 N/A GLY 277.A N GLU 274.A O no hydrogen 3.090 N/A VAL 278.A N PRO 275.A O no hydrogen 3.104 N/A PHE 280.A N ARG 464.A O no hydrogen 2.833 N/A GLY 281.A N GLU 462.A O no hydrogen 2.985 N/A LEU 283.A N PRO 279.A O no hydrogen 3.093 N/A ALA 284.A N PHE 280.A O no hydrogen 3.095 N/A ASP 285.A N GLY 281.A O no hydrogen 3.102 N/A ILE 286.A N TYR 282.A O no hydrogen 2.813 N/A CYS 287.A N LEU 283.A O no hydrogen 3.158 N/A CYS 287.A SG THR 307.A OG1 no hydrogen 3.697 N/A GLN 288.A N PHE 515.A O no hydrogen 2.930 N/A GLN 288.A NE2 ILE 286.A O no hydrogen 3.198 N/A GLN 288.A NE2 LYS 503.A O no hydrogen 2.921 N/A SER 289.A OG ASP 303.A OD2 no hydrogen 2.623 N/A ARG 291.A N GLN 288.A O no hydrogen 3.165 N/A ARG 291.A NE GLN 288.A OE1 no hydrogen 2.756 N/A ARG 291.A NH1 GLN 186.A O no hydrogen 2.899 N/A VAL 292.A N SER 289.A O no hydrogen 3.061 N/A ASN 293.A N SER 289.A O no hydrogen 2.830 N/A ASN 293.A ND2 SER 289.A OG no hydrogen 2.909 N/A ASP 296.A N ASN 293.A O no hydrogen 2.908 N/A ARG 299.A N ASP 296.A OD1 no hydrogen 3.126 N/A ARG 299.A NE ASP 303.A OD2 no hydrogen 2.835 N/A VAL 300.A N ASP 296.A O no hydrogen 3.173 N/A SER 301.A N PRO 297.A O no hydrogen 3.015 N/A SER 301.A OG PRO 297.A O no hydrogen 2.835 N/A LEU 302.A N VAL 298.A O no hydrogen 2.867 N/A ASP 303.A N ARG 299.A O no hydrogen 2.911 N/A VAL 304.A N VAL 300.A O no hydrogen 3.122 N/A VAL 305.A N SER 301.A O no hydrogen 2.958 N/A ALA 306.A N LEU 302.A O no hydrogen 2.969 N/A THR 307.A N ASP 303.A O no hydrogen 3.074 N/A THR 307.A OG1 ASP 303.A O no hydrogen 2.829 N/A GLY 308.A N VAL 304.A O no hydrogen 2.953 N/A ALA 309.A N VAL 305.A O no hydrogen 2.733 N/A MET 310.A N ALA 306.A O no hydrogen 3.132 N/A LEU 311.A N THR 307.A O no hydrogen 3.097 N/A TYR 312.A N GLY 308.A O no hydrogen 2.749 N/A TYR 312.A OH VAL 278.A O no hydrogen 2.804 N/A ASP 313.A N ALA 309.A O no hydrogen 2.952 N/A GLN 314.A N MET 310.A O no hydrogen 2.898 N/A GLN 314.A NE2 LEU 85.A O no hydrogen 2.832 N/A ILE 315.A N MET 310.A O no hydrogen 3.306 N/A TRP 316.A N LEU 311.A O no hydrogen 2.885 N/A LEU 317.A N TYR 312.A O no hydrogen 2.805 N/A TYR 320.A N ILE 315.A O no hydrogen 3.035 N/A TYR 320.A OH GLU 274.A OE1 no hydrogen 2.632 N/A MET 321.A N TRP 316.A O no hydrogen 2.870 N/A SER 322.A N SER 319.A O no hydrogen 3.033 N/A SER 322.A OG LEU 317.A O no hydrogen 2.655 N/A GLY 323.A N SER 322.A OG no hydrogen 2.729 N/A ALA 331.A N PHE 327.A O no hydrogen 3.410 N/A ALA 331.A N THR 328.A O no hydrogen 3.118 N/A THR 332.A N THR 328.A O no hydrogen 2.776 N/A THR 332.A OG1 GLN 329.A O no hydrogen 3.466 N/A ALA 333.A N GLN 329.A O no hydrogen 3.272 N/A ALA 334.A N ALA 331.A O no hydrogen 2.893 N/A TYR 335.A N THR 332.A O no hydrogen 2.920 N/A TYR 335.A OH GLN 314.A OE1 no hydrogen 2.692 N/A THR 336.A OG1 THR 332.A O no hydrogen 2.700 N/A ASP 337.A N GLN 72.A O no hydrogen 2.755 N/A ASN 338.A N SER 74.A OG no hydrogen 2.873 N/A ILE 339.A N THR 336.A O no hydrogen 3.444 N/A ASP 342.A N ASN 338.A O no hydrogen 3.008 N/A PHE 343.A N ILE 339.A O no hydrogen 3.135 N/A THR 344.A N LEU 340.A O no hydrogen 2.890 N/A THR 344.A OG1 LEU 340.A O no hydrogen 2.850 N/A TYR 345.A N ASP 341.A O no hydrogen 2.895 N/A TYR 345.A OH ASP 296.A OD1 no hydrogen 3.376 N/A TYR 345.A OH ASP 296.A OD2 no hydrogen 2.613 N/A PHE 346.A N ASP 342.A O no hydrogen 3.125 N/A GLY 347.A N PHE 343.A O no hydrogen 3.089 N/A LYS 348.A N THR 344.A O no hydrogen 2.893 N/A LYS 348.A NZ GLU 352.A OE1 no hydrogen 2.627 N/A LYS 348.A NZ GLU 352.A OE2 no hydrogen 3.374 N/A GLU 349.A N TYR 345.A O no hydrogen 2.977 N/A TYR 350.A N PHE 346.A O no hydrogen 2.950 N/A TYR 350.A OH ASP 369.A OD1 no hydrogen 2.590 N/A VAL 351.A N GLY 347.A O no hydrogen 2.964 N/A GLU 352.A N LYS 348.A O no hydrogen 2.805 N/A ASP 353.A N GLU 349.A O no hydrogen 2.965 N/A LYS 354.A N TYR 350.A O no hydrogen 3.010 N/A LYS 354.A NZ ASP 369.A OD1 no hydrogen 3.448 N/A LYS 354.A NZ ASP 369.A OD2 no hydrogen 2.951 N/A TYR 355.A N VAL 351.A O no hydrogen 2.850 N/A TYR 355.A OH ASP 369.A OD2 no hydrogen 2.465 N/A GLY 356.A N VAL 351.A O no hydrogen 3.054 N/A CYS 358.A N PHE 411.A O no hydrogen 2.805 N/A GLU 359.A N GLY 356.A O no hydrogen 3.095 N/A ALA 360.A N ALA 412.A O no hydrogen 2.946 N/A ASN 363.A N PRO 361.A O no hydrogen 2.985 N/A THR 366.A N ASN 363.A OD1 no hydrogen 3.123 N/A THR 366.A OG1 PRO 361.A O no hydrogen 2.708 N/A THR 366.A OG1 ASN 363.A OD1 no hydrogen 3.510 N/A VAL 367.A N ASN 363.A O no hydrogen 3.229 N/A LEU 368.A N MET 364.A O no hydrogen 2.860 N/A ASP 369.A N ASP 365.A O no hydrogen 3.014 N/A VAL 370.A N THR 366.A O no hydrogen 2.947 N/A ALA 371.A N VAL 367.A O no hydrogen 3.018 N/A THR 372.A OG1 LEU 368.A O no hydrogen 2.673 N/A GLU 373.A N ASP 369.A O no hydrogen 3.123 N/A VAL 374.A N VAL 370.A O no hydrogen 2.991 N/A THR 375.A N ALA 371.A O no hydrogen 2.987 N/A THR 375.A OG1 ALA 371.A O no hydrogen 2.734 N/A THR 375.A OG1 SER 426.A OG no hydrogen 2.779 N/A PHE 376.A N THR 372.A O no hydrogen 2.982 N/A TYR 377.A N GLU 373.A O no hydrogen 3.066 N/A TYR 377.A OH ASP 342.A OD1 no hydrogen 2.647 N/A GLY 378.A N VAL 374.A O no hydrogen 3.005 N/A LEU 379.A N THR 375.A O no hydrogen 3.005 N/A GLU 380.A N PHE 376.A O no hydrogen 2.993 N/A GLN 381.A N TYR 377.A O no hydrogen 3.209 N/A GLN 381.A N GLY 378.A O no hydrogen 3.066 N/A GLN 381.A NE2 TYR 377.A O no hydrogen 3.044 N/A TYR 382.A N GLY 378.A O no hydrogen 3.475 N/A TYR 382.A OH GLN 392.A OE1 no hydrogen 2.679 N/A GLU 383.A N LEU 379.A O no hydrogen 3.181 N/A GLU 384.A N GLU 380.A O no hydrogen 2.861 N/A TYR 385.A N GLN 381.A O no hydrogen 2.956 N/A ALA 387.A N PRO 17.A O no hydrogen 3.198 N/A LEU 388.A N TYR 385.A O no hydrogen 2.795 N/A LEU 389.A N TYR 385.A O no hydrogen 3.242 N/A GLU 390.A N PRO 386.A O no hydrogen 3.003 N/A ASP 391.A N ALA 387.A O no hydrogen 2.984 N/A GLN 392.A N LEU 388.A O no hydrogen 2.997 N/A GLN 392.A NE2 ALA 333.A O no hydrogen 2.998 N/A ARG 397.A NH1 GLN 392.A O no hydrogen 2.964 N/A ARG 397.A NH1 PHE 393.A O no hydrogen 3.003 N/A ALA 398.A N GLY 395.A O no hydrogen 2.846 N/A ALA 399.A N SER 396.A O no hydrogen 2.984 N/A VAL 401.A N ARG 397.A O no hydrogen 2.918 N/A ALA 402.A N ALA 398.A O no hydrogen 2.970 N/A ALA 403.A N ALA 399.A O no hydrogen 2.864 N/A ALA 404.A N VAL 400.A O no hydrogen 3.126 N/A ALA 405.A N VAL 401.A O no hydrogen 2.983 N/A GLY 406.A N ALA 402.A O no hydrogen 2.771 N/A CYS 407.A N ALA 403.A O no hydrogen 2.876 N/A CYS 407.A SG ALA 403.A O no hydrogen 3.376 N/A SER 408.A N ALA 404.A O no hydrogen 2.935 N/A SER 408.A OG ALA 404.A O no hydrogen 2.766 N/A THR 409.A N ALA 405.A O no hydrogen 2.974 N/A THR 409.A OG1 ALA 405.A O no hydrogen 2.867 N/A ALA 410.A N GLY 406.A O no hydrogen 3.016 N/A PHE 411.A N CYS 407.A O no hydrogen 2.836 N/A ALA 412.A N SER 408.A O no hydrogen 3.123 N/A THR 413.A N THR 409.A O no hydrogen 3.003 N/A THR 413.A OG1 THR 409.A O no hydrogen 3.401 N/A THR 413.A OG1 ASN 415.A O no hydrogen 3.145 N/A THR 413.A OG1 THR 418.A OG1 no hydrogen 2.905 N/A GLY 414.A N ALA 410.A O no hydrogen 2.823 N/A ASN 415.A N THR 413.A OG1 no hydrogen 3.035 N/A GLN 417.A N ASN 415.A OD1 no hydrogen 2.855 N/A GLN 417.A NE2 VAL 450.A O no hydrogen 2.858 N/A GLN 417.A NE2 LEU 459.A O no hydrogen 3.092 N/A THR 418.A OG1 ASN 362.A OD1 no hydrogen 2.654 N/A THR 418.A OG1 THR 413.A OG1 no hydrogen 2.905 N/A THR 418.A OG1 ASN 415.A O no hydrogen 3.168 N/A GLY 419.A N ASN 415.A O no hydrogen 3.357 N/A LEU 420.A N ALA 416.A O no hydrogen 2.902 N/A SER 421.A N GLN 417.A O no hydrogen 3.041 N/A GLY 422.A N THR 418.A O no hydrogen 3.023 N/A TRP 423.A N GLY 419.A O no hydrogen 3.048 N/A TYR 424.A N LEU 420.A O no hydrogen 3.221 N/A TYR 424.A OH TYR 471.A OH no hydrogen 2.815 N/A TYR 424.A OH TYR 481.A OH no hydrogen 2.712 N/A LEU 425.A N SER 421.A O no hydrogen 2.989 N/A SER 426.A N GLY 422.A O no hydrogen 2.958 N/A SER 426.A OG THR 375.A OG1 no hydrogen 2.779 N/A MET 427.A N TRP 423.A O no hydrogen 3.251 N/A TYR 428.A N TYR 424.A O no hydrogen 3.121 N/A LEU 429.A N LEU 425.A O no hydrogen 2.991 N/A HIS 430.A N SER 426.A O no hydrogen 2.908 N/A LYS 431.A N MET 427.A O no hydrogen 2.946 N/A GLU 432.A N TYR 428.A O no hydrogen 3.200 N/A GLN 433.A N LEU 429.A O no hydrogen 2.875 N/A GLN 433.A NE2 GLU 383.A OE2 no hydrogen 2.963 N/A HIS 434.A N HIS 430.A O no hydrogen 3.047 N/A HIS 434.A NE2 GLU 383.A OE2 no hydrogen 2.752 N/A PHE 439.A N SER 396.A OG no hydrogen 2.836 N/A TYR 441.A OH GLY 476.A O no hydrogen 2.802 N/A GLN 445.A NE2 ASP 442.A OD2 no hydrogen 2.914 N/A ALA 447.A N TYR 428.A OH no hydrogen 3.280 N/A ASN 449.A ND2 ASN 470.A OD1 no hydrogen 2.892 N/A VAL 450.A N ALA 447.A O no hydrogen 3.313 N/A SER 452.A OG GLU 457.A OE1 no hydrogen 2.685 N/A ARG 454.A N SER 452.A OG no hydrogen 3.175 N/A ARG 454.A NE GLU 457.A OE1 no hydrogen 3.030 N/A ARG 454.A NH2 GLU 457.A OE2 no hydrogen 2.916 N/A GLU 457.A N ARG 454.A O no hydrogen 2.976 N/A GLY 458.A N ARG 454.A O no hydrogen 2.767 N/A LEU 461.A N GLN 417.A OE1 no hydrogen 2.852 N/A GLU 462.A N GLU 462.A OE1 no hydrogen 2.855 N/A LEU 463.A N PRO 460.A O no hydrogen 3.001 N/A ARG 464.A N LEU 461.A O no hydrogen 2.958 N/A ARG 464.A NE LEU 459.A O no hydrogen 2.887 N/A ARG 464.A NH1 TYR 471.A OH no hydrogen 2.912 N/A ARG 464.A NH2 ASN 449.A O no hydrogen 2.858 N/A ARG 464.A NH2 LEU 459.A O no hydrogen 3.109 N/A TYR 468.A N GLY 465.A O no hydrogen 3.046 N/A TYR 468.A OH GLU 457.A O no hydrogen 2.636 N/A TYR 471.A N TYR 468.A O no hydrogen 2.812 N/A TYR 471.A OH TYR 424.A OH no hydrogen 2.815 N/A ALA 472.A N PRO 469.A O no hydrogen 3.307 N/A GLY 476.A N ASP 313.A OD2 no hydrogen 2.843 N/A HIS 477.A ND1 VAL 475.A O no hydrogen 2.761 N/A GLN 478.A NE2 TYR 471.A O no hydrogen 2.846 N/A TYR 481.A N HIS 477.A O no hydrogen 2.851 N/A TYR 481.A OH GLN 444.A OE1 no hydrogen 2.592 N/A ALA 482.A N GLN 478.A O no hydrogen 3.063 N/A GLY 483.A N GLY 479.A O no hydrogen 3.091 N/A ILE 484.A N GLU 480.A O no hydrogen 2.934 N/A SER 485.A N TYR 481.A O no hydrogen 2.851 N/A SER 485.A OG.A TYR 481.A O no hydrogen 3.025 N/A SER 485.A OG.B ALA 482.A O no hydrogen 2.815 N/A GLN 486.A N ALA 482.A O no hydrogen 2.966 N/A GLN 486.A NE2 GLN 486.A O no hydrogen 2.994 N/A ALA 487.A N GLY 483.A O no hydrogen 2.840 N/A HIS 489.A ND1 ASP 494.A OD2 no hydrogen 2.677 N/A HIS 489.A NE2 GLU 462.A OE2 no hydrogen 2.767 N/A ALA 490.A N GLN 486.A O no hydrogen 2.840 N/A ALA 491.A N ALA 487.A O no hydrogen 2.989 N/A ARG 492.A N PRO 488.A O no hydrogen 2.885 N/A ARG 492.A NE ASP 494.A OD2 no hydrogen 2.781 N/A ARG 492.A NH2 ASP 494.A OD1 no hydrogen 2.998 N/A ARG 492.A NH2 ASP 494.A OD2 no hydrogen 3.559 N/A GLY 493.A N ALA 490.A O no hydrogen 3.157 N/A ASP 494.A N HIS 489.A O no hydrogen 2.911 N/A VAL 497.A N ASP 285.A OD1 no hydrogen 2.739 N/A PHE 498.A N ASP 285.A OD2 no hydrogen 2.825 N/A ASN 499.A N ASP 285.A OD2 no hydrogen 2.820 N/A LEU 501.A N ASN 499.A OD1 no hydrogen 2.869 N/A VAL 502.A N ASN 499.A OD1 no hydrogen 3.192 N/A LYS 503.A N ASN 499.A O no hydrogen 3.160 N/A LYS 503.A NZ ALA 284.A O no hydrogen 3.397 N/A LYS 503.A NZ ASP 285.A O no hydrogen 2.999 N/A LYS 503.A NZ CYS 287.A O no hydrogen 2.848 N/A LYS 503.A NZ SER 290.A OG no hydrogen 2.784 N/A ILE 504.A N PRO 500.A O no hydrogen 3.055 N/A ALA 505.A N LEU 501.A O no hydrogen 2.928 N/A ALA 507.A N ILE 504.A O no hydrogen 2.973 N/A ASN 510.A N ASP 508.A OD1 no hydrogen 2.936 N/A LEU 511.A N ASP 508.A O no hydrogen 3.240 N/A VAL 512.A N ASP 99.A OD2 no hydrogen 3.010 N/A PHE 513.A N ASP 99.A OD2 no hydrogen 2.930 N/A ASP 514.A N GLU 521.A OE2 no hydrogen 2.814 N/A THR 516.A N ASP 514.A OD1 no hydrogen 3.004 N/A THR 516.A OG1 ASP 514.A OD1 no hydrogen 2.666 N/A THR 516.A OG1 ASP 514.A OD2 no hydrogen 3.383 N/A ASN 517.A N ASP 514.A O no hydrogen 3.117 N/A ARG 519.A NE ASP 303.A OD1 no hydrogen 2.948 N/A ARG 519.A NH1 ASP 341.A OD2 no hydrogen 2.993 N/A ARG 519.A NH2 ASP 303.A OD1 no hydrogen 2.854 N/A GLY 520.A N ASN 517.A OD1 no hydrogen 3.116 N/A GLU 521.A N ASN 517.A O no hydrogen 2.932 N/A PHE 522.A N VAL 518.A O no hydrogen 2.973 N/A ALA 523.A N ARG 519.A O no hydrogen 3.110 N/A LYS 524.A N.A GLY 520.A O no hydrogen 3.015 N/A LYS 524.A N.B GLY 520.A O no hydrogen 3.001 N/A LYS 524.A NZ.B GLU 521.A OE1 no hydrogen 2.622 N/A GLY 525.A N GLU 521.A O no hydrogen 2.902 N/A ALA 526.A N PHE 522.A O no hydrogen 2.920 N/A LEU 527.A N ALA 523.A O no hydrogen 3.054 N/A ARG 528.A N GLY 525.A O no hydrogen 2.971 N/A ARG 528.A NH1 GLU 38.A OE2 no hydrogen 2.941 N/A ARG 528.A NH2 GLU 38.A OE1 no hydrogen 2.966 N/A ARG 528.A NH2 GLU 38.A OE2 no hydrogen 3.566 N/A GLU 529.A N LYS 524.A O.A no hydrogen 2.933 N/A GLU 529.A N LYS 524.A O.B no hydrogen 2.997 N/A ALA 533.A N GLN 95.A OE1 no hydrogen 2.826 N/A ILE 539.A N ARG 536.A O.A no hydrogen 2.852 N/A ILE 539.A N ARG 536.A O.B no hydrogen 2.921 N/A THR 540.A N ALA 537.A O no hydrogen 3.299 N/A THR 540.A OG1 ALA 537.A O no hydrogen 3.348 N/A