Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8v9i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 7.A OD2 no hydrogen 2.640 N/A THR 3.A N SER 1.A OG no hydrogen 3.238 N/A THR 3.A OG1 ASP 7.A OD1 no hydrogen 2.906 N/A LEU 5.A N GLU 29.A OE2 no hydrogen 3.106 N/A LEU 6.A N GLU 29.A OE1 no hydrogen 2.771 N/A ASP 7.A N THR 3.A O no hydrogen 3.015 N/A GLN 8.A N LEU 5.A O no hydrogen 3.167 N/A ILE 9.A N LEU 6.A O no hydrogen 3.100 N/A HIS 10.A N ASP 14.A OD2 no hydrogen 2.885 N/A LYS 13.A NZ ASP 63.A OD1 no hydrogen 3.568 N/A LEU 15.A N GLY 11.A O no hydrogen 3.205 N/A LYS 16.A N PRO 12.A O no hydrogen 3.081 N/A LYS 16.A NZ HIS 59.A O no hydrogen 2.731 N/A LYS 16.A NZ LEU 62.A O no hydrogen 2.728 N/A ARG 17.A N ASP 14.A O no hydrogen 3.136 N/A LEU 18.A N LEU 15.A O no hydrogen 3.070 N/A SER 19.A N GLN 22.A OE1 no hydrogen 2.967 N/A SER 19.A OG GLU 21.A OE1 no hydrogen 3.409 N/A SER 19.A OG GLN 22.A OE1 no hydrogen 3.451 N/A ARG 20.A NH2 GLU 238.A OE1 no hydrogen 2.503 N/A GLN 22.A N SER 19.A O no hydrogen 3.020 N/A LEU 23.A N ARG 20.A O no hydrogen 3.365 N/A LEU 26.A N GLN 22.A O no hydrogen 3.131 N/A THR 27.A N LEU 23.A O no hydrogen 3.018 N/A THR 27.A OG1 PRO 24.A O no hydrogen 2.720 N/A GLU 28.A N PRO 24.A O no hydrogen 3.274 N/A GLU 29.A N ALA 25.A O no hydrogen 3.171 N/A LEU 30.A N LEU 26.A O no hydrogen 2.844 N/A ARG 31.A N THR 27.A O no hydrogen 2.887 N/A ARG 31.A NE LYS 257.A O no hydrogen 2.897 N/A ARG 31.A NH1 ASP 53.A OD1 no hydrogen 2.934 N/A ARG 31.A NH1 ASP 53.A OD2 no hydrogen 3.352 N/A ARG 31.A NH2 LEU 49.A O no hydrogen 3.024 N/A ARG 31.A NH2 ASP 53.A OD2 no hydrogen 2.615 N/A GLY 32.A N GLU 28.A O no hydrogen 3.024 N/A GLU 33.A N GLU 29.A O no hydrogen 2.910 N/A ILE 34.A N LEU 30.A O no hydrogen 2.893 N/A VAL 35.A N ARG 31.A O no hydrogen 2.974 N/A ARG 36.A N GLY 32.A O no hydrogen 3.130 N/A ARG 36.A NH2 GLU 33.A OE1 no hydrogen 2.811 N/A VAL 37.A N GLU 33.A O no hydrogen 2.964 N/A CYS 38.A N ILE 34.A O no hydrogen 3.026 N/A CYS 38.A SG ILE 34.A O no hydrogen 3.358 N/A SER 39.A N ARG 36.A O no hydrogen 3.303 N/A SER 39.A OG ARG 36.A O no hydrogen 2.757 N/A ARG 40.A NH1 ILE 93.A O no hydrogen 2.737 N/A GLY 41.A N CYS 38.A O no hydrogen 2.949 N/A GLY 42.A N PRO 272.A O no hydrogen 2.907 N/A HIS 44.A N TYR 78.A OH no hydrogen 3.086 N/A LEU 45.A N LEU 43.A O no hydrogen 3.044 N/A ALA 46.A N TRP 269.A O no hydrogen 3.088 N/A SER 48.A OG HIS 75.A O no hydrogen 3.038 N/A LEU 49.A N LEU 45.A O no hydrogen 3.002 N/A GLY 50.A N ALA 46.A O no hydrogen 3.094 N/A ALA 51.A N SER 47.A O no hydrogen 3.245 N/A VAL 52.A N LEU 49.A O no hydrogen 3.479 N/A ILE 55.A N ALA 51.A O no hydrogen 3.126 N/A THR 56.A N VAL 52.A O no hydrogen 2.994 N/A THR 56.A OG1 VAL 52.A O no hydrogen 2.808 N/A ALA 57.A N ASP 53.A O no hydrogen 2.993 N/A LEU 58.A N ILE 54.A O no hydrogen 2.878 N/A HIS 59.A N ILE 55.A O no hydrogen 3.112 N/A HIS 59.A NE2 HIS 80.A ND1 no hydrogen 2.868 N/A TYR 60.A N THR 56.A O no hydrogen 3.025 N/A TYR 60.A OH LEU 18.A O no hydrogen 2.735 N/A VAL 61.A N ALA 57.A O no hydrogen 3.048 N/A LEU 62.A N LEU 58.A O no hydrogen 2.788 N/A ASP 63.A N ASP 67.A OD2 no hydrogen 2.800 N/A SER 64.A OG HIS 110.A ND1 no hydrogen 2.766 N/A ARG 66.A NE ASP 63.A OD1 no hydrogen 3.233 N/A ARG 66.A NE ASP 63.A OD2 no hydrogen 2.681 N/A ARG 66.A NH2 ASP 63.A OD1 no hydrogen 3.107 N/A ASP 67.A N ASP 63.A O no hydrogen 2.853 N/A ARG 68.A N HIS 140.A O no hydrogen 2.951 N/A ARG 68.A NH1 GLU 109.A O no hydrogen 3.312 N/A ARG 68.A NH2 PRO 65.A O no hydrogen 2.823 N/A ARG 68.A NH2 GLU 109.A O no hydrogen 2.971 N/A LEU 70.A N ALA 142.A O no hydrogen 2.721 N/A ASP 72.A N VAL 144.A O no hydrogen 2.867 N/A GLN 76.A N GLN 76.A OE1 no hydrogen 2.702 N/A GLN 76.A NE2 ASP 72.A O no hydrogen 2.878 N/A ALA 77.A N GLY 74.A O no hydrogen 3.422 N/A TYR 78.A N SER 48.A OG no hydrogen 3.130 N/A HIS 80.A ND1 HIS 59.A NE2 no hydrogen 2.868 N/A HIS 80.A NE2 ASP 111.A OD1 no hydrogen 2.861 N/A LYS 81.A N ALA 77.A O no hydrogen 3.111 N/A LYS 81.A NZ SER 100.A O no hydrogen 2.686 N/A LYS 81.A NZ PHE 102.A O no hydrogen 2.796 N/A LYS 81.A NZ GLU 107.A OE1 no hydrogen 3.532 N/A LYS 81.A NZ GLU 107.A OE2 no hydrogen 2.739 N/A ILE 82.A N TYR 78.A O no hydrogen 2.976 N/A LEU 83.A N ALA 79.A O no hydrogen 3.015 N/A THR 84.A N LYS 81.A O no hydrogen 3.210 N/A THR 84.A OG1 HIS 80.A O no hydrogen 2.694 N/A THR 84.A OG1 LYS 81.A O no hydrogen 3.387 N/A ARG 86.A N LYS 81.A O no hydrogen 3.072 N/A ARG 86.A NH1 GLU 107.A OE2 no hydrogen 2.815 N/A ARG 86.A NH1 ASP 111.A OD1 no hydrogen 3.329 N/A ARG 86.A NH1 ASP 111.A OD2 no hydrogen 2.813 N/A ARG 86.A NH2 THR 84.A OG1 no hydrogen 2.809 N/A ARG 86.A NH2 ASP 111.A OD1 no hydrogen 2.806 N/A ARG 87.A NE GLU 33.A OE2 no hydrogen 2.944 N/A ARG 87.A NH1 THR 3.A OG1 no hydrogen 2.841 N/A ARG 87.A NH1 GLU 33.A OE1 no hydrogen 3.044 N/A ARG 87.A NH1 GLU 33.A OE2 no hydrogen 3.499 N/A ARG 87.A NH2 ASP 7.A OD1 no hydrogen 2.728 N/A MET 90.A N ARG 87.A O no hydrogen 3.244 N/A ASP 92.A N GLN 89.A O no hydrogen 3.073 N/A ILE 93.A N MET 90.A O no hydrogen 3.356 N/A LYS 94.A N ILE 99.A O no hydrogen 2.813 N/A LYS 94.A NZ ASP 396.A OD1 no hydrogen 2.716 N/A LYS 95.A N ASP 92.A O no hydrogen 3.045 N/A LYS 95.A NZ ALA 91.A O no hydrogen 3.388 N/A LYS 95.A NZ ASP 92.A OD1 no hydrogen 3.292 N/A GLY 98.A N LYS 95.A O no hydrogen 2.778 N/A SER 100.A N GLU 107.A OE1 no hydrogen 2.776 N/A SER 100.A OG PHE 102.A O no hydrogen 3.262 N/A PHE 102.A N SER 100.A OG no hydrogen 3.186 N/A THR 103.A OG1 ILE 113.A O no hydrogen 2.908 N/A LYS 104.A N ASP 111.A OD2 no hydrogen 2.883 N/A VAL 105.A N THR 114.A OG1 no hydrogen 2.844 N/A GLU 107.A N LYS 104.A O no hydrogen 2.890 N/A HIS 110.A N SER 108.A OG no hydrogen 2.992 N/A HIS 110.A ND1 SER 64.A OG no hydrogen 2.766 N/A ASP 111.A N SER 108.A O no hydrogen 3.071 N/A VAL 115.A N THR 103.A O no hydrogen 3.388 N/A HIS 117.A NE2 THR 363.A OG1 no hydrogen 2.676 N/A SER 119.A N ASP 72.A OD1 no hydrogen 2.607 N/A SER 119.A OG SER 149.A O no hydrogen 2.641 N/A SER 121.A N ASP 72.A OD2 no hydrogen 3.014 N/A SER 121.A OG ASP 72.A OD2 no hydrogen 2.637 N/A ASN 124.A N THR 120.A O no hydrogen 3.186 N/A ASN 124.A ND2 THR 120.A O no hydrogen 3.025 N/A ALA 125.A N SER 121.A O no hydrogen 2.811 N/A LEU 126.A N LEU 122.A O no hydrogen 2.913 N/A GLY 127.A N ALA 123.A O no hydrogen 3.001 N/A MET 128.A N ASN 124.A O no hydrogen 3.003 N/A ALA 129.A N ALA 125.A O no hydrogen 2.935 N/A LEU 130.A N LEU 126.A O no hydrogen 2.889 N/A ALA 131.A N GLY 127.A O no hydrogen 2.922 N/A ARG 132.A N MET 128.A O no hydrogen 2.836 N/A ARG 132.A NE ASP 133.A OD1 no hydrogen 2.932 N/A ARG 132.A NH1 ASP 133.A OD1 no hydrogen 3.270 N/A ARG 132.A NH1 LYS 168.A O no hydrogen 2.679 N/A ARG 132.A NH2 PHE 139.A O no hydrogen 2.960 N/A ARG 132.A NH2 LYS 168.A O no hydrogen 3.070 N/A ASP 133.A N ALA 129.A O no hydrogen 2.960 N/A ALA 134.A N LEU 130.A O no hydrogen 2.869 N/A GLN 135.A N ALA 131.A O no hydrogen 2.992 N/A GLY 136.A N ASP 133.A O no hydrogen 3.105 N/A LYS 137.A N ARG 132.A O no hydrogen 2.975 N/A HIS 140.A N ASP 67.A OD1 no hydrogen 2.820 N/A HIS 140.A ND1 ASP 67.A OD1 no hydrogen 3.158 N/A HIS 140.A ND1 ASP 67.A OD2 no hydrogen 3.136 N/A HIS 140.A NE2 ASP 242.A OD1 no hydrogen 2.586 N/A ALA 142.A N ARG 68.A O no hydrogen 2.875 N/A ALA 143.A N LEU 170.A O no hydrogen 2.861 N/A VAL 144.A N LEU 70.A O no hydrogen 2.742 N/A ILE 145.A N VAL 172.A O no hydrogen 2.913 N/A ASP 147.A N ASN 174.A O no hydrogen 3.186 N/A SER 149.A OG ASP 72.A OD1 no hydrogen 2.798 N/A LEU 150.A N GLY 146.A O no hydrogen 3.002 N/A THR 151.A N GLY 148.A O no hydrogen 3.026 N/A THR 151.A OG1 GLY 148.A O no hydrogen 2.600 N/A GLY 152.A N SER 149.A O no hydrogen 3.100 N/A GLY 153.A N GLU 340.A OE2.B no hydrogen 3.095 N/A ALA 155.A N GLY 152.A O no hydrogen 3.084 N/A LEU 156.A N GLY 152.A O no hydrogen 3.155 N/A ALA 157.A N GLY 153.A O no hydrogen 2.861 N/A ALA 158.A N MET 154.A O no hydrogen 3.239 N/A LEU 159.A N ALA 155.A O no hydrogen 2.969 N/A ASN 160.A N LEU 156.A O no hydrogen 3.124 N/A THR 161.A N ALA 157.A O no hydrogen 3.080 N/A THR 161.A OG1 ALA 157.A O no hydrogen 3.419 N/A ILE 162.A N ALA 158.A O no hydrogen 2.689 N/A GLY 163.A N LEU 159.A O no hydrogen 2.873 N/A ASP 164.A N ASN 160.A O no hydrogen 3.329 N/A MET 165.A N THR 161.A O no hydrogen 2.906 N/A GLY 166.A N ILE 162.A O no hydrogen 3.066 N/A ARG 167.A NE MET 165.A O no hydrogen 3.226 N/A ARG 167.A NH1 ASP 133.A OD2 no hydrogen 2.978 N/A LYS 168.A NZ ASP 242.A O no hydrogen 3.567 N/A LEU 170.A N VAL 141.A O no hydrogen 2.915 N/A ILE 171.A N THR 247.A O no hydrogen 2.682 N/A VAL 172.A N ALA 143.A O no hydrogen 2.710 N/A LEU 173.A N LEU 249.A O no hydrogen 2.843 N/A ASN 174.A N ILE 145.A O no hydrogen 2.760 N/A ASP 175.A N ILE 251.A O no hydrogen 3.016 N/A ASN 176.A N ASP 147.A OD1 no hydrogen 3.433 N/A GLU 177.A N ASP 175.A OD1 no hydrogen 3.103 N/A MET 178.A N ASN 176.A OD1 no hydrogen 3.013 N/A SER 179.A N SER 181.A O no hydrogen 2.767 N/A SER 181.A OG GLU 317.A OE1 no hydrogen 2.587 N/A ASN 183.A N GLU 177.A O no hydrogen 2.908 N/A ASN 183.A ND2 ASP 147.A O no hydrogen 3.123 N/A LYS 189.A N GLY 185.A O no hydrogen 3.281 N/A PHE 190.A N ALA 186.A O no hydrogen 2.819 N/A MET 191.A N MET 187.A O no hydrogen 3.000 N/A ARG 192.A N LYS 189.A O no hydrogen 3.314 N/A GLY 193.A N PHE 190.A O no hydrogen 3.333 N/A LEU 194.A N MET 191.A O no hydrogen 3.191 N/A GLN 197.A N PRO 224.A O no hydrogen 2.675 N/A TRP 199.A N GLU 232.A OE1 no hydrogen 2.999 N/A TRP 199.A NE1 GLN 197.A OE1 no hydrogen 3.053 N/A PHE 200.A N GLU 232.A OE1 no hydrogen 2.909 N/A GLU 204.A N LYS 198.A O no hydrogen 2.827 N/A VAL 206.A N ALA 202.A O no hydrogen 2.999 N/A SER 207.A N VAL 203.A O no hydrogen 3.011 N/A SER 207.A OG VAL 203.A O no hydrogen 2.950 N/A LYS 208.A N GLU 204.A O no hydrogen 3.363 N/A ASN 212.A ND2 VAL 219.A O no hydrogen 3.185 N/A PHE 214.A N ASN 212.A OD1 no hydrogen 2.725 N/A ALA 215.A N ASN 212.A O no hydrogen 3.117 N/A MET 217.A N PHE 214.A O no hydrogen 2.866 N/A GLY 218.A N ALA 215.A O no hydrogen 3.280 N/A ARG 220.A N PRO 246.A O no hydrogen 3.069 N/A ARG 220.A NH1 ASP 244.A O no hydrogen 2.995 N/A ARG 220.A NH1 THR 247.A OG1 no hydrogen 2.615 N/A ARG 220.A NH2 ASP 244.A O no hydrogen 2.908 N/A TYR 221.A OH HIS 250.A ND1 no hydrogen 2.684 N/A VAL 222.A N ILE 248.A O no hydrogen 2.915 N/A GLY 223.A N GLN 197.A OE1 no hydrogen 3.289 N/A VAL 225.A N HIS 250.A O no hydrogen 2.917 N/A GLY 227.A N VAL 252.A O no hydrogen 2.851 N/A HIS 228.A N ASP 226.A OD1 no hydrogen 2.879 N/A HIS 228.A ND1 ASP 53.A OD2 no hydrogen 2.602 N/A ASN 229.A N ASP 226.A O no hydrogen 3.426 N/A GLU 232.A N ASN 229.A OD1 no hydrogen 3.197 N/A LEU 233.A N ASN 229.A O no hydrogen 2.938 N/A VAL 234.A N VAL 230.A O no hydrogen 2.988 N/A TRP 235.A N GLN 231.A O no hydrogen 2.926 N/A LEU 236.A N GLU 232.A O no hydrogen 2.824 N/A LEU 237.A N LEU 233.A O no hydrogen 2.784 N/A GLU 238.A N VAL 234.A O no hydrogen 2.971 N/A ARG 239.A N LEU 236.A O no hydrogen 3.005 N/A ARG 239.A NH2 TRP 235.A O no hydrogen 2.922 N/A ARG 239.A NH2 GLU 238.A OE2 no hydrogen 3.020 N/A LEU 240.A N LEU 237.A O no hydrogen 3.184 N/A VAL 241.A N LEU 237.A O no hydrogen 3.102 N/A LEU 243.A N LEU 240.A O no hydrogen 3.111 N/A THR 247.A N MET 169.A O no hydrogen 3.088 N/A ILE 248.A N ARG 220.A O no hydrogen 2.698 N/A LEU 249.A N ILE 171.A O no hydrogen 2.652 N/A HIS 250.A N VAL 222.A O no hydrogen 2.796 N/A HIS 250.A ND1 TYR 221.A OH no hydrogen 2.684 N/A HIS 250.A NE2 ASP 175.A OD2 no hydrogen 2.847 N/A ILE 251.A N LEU 173.A O no hydrogen 2.981 N/A VAL 252.A N VAL 225.A O no hydrogen 2.887 N/A THR 253.A N ASP 175.A O no hydrogen 3.015 N/A THR 253.A OG1 ASN 174.A OD1 no hydrogen 2.696 N/A THR 254.A N HIS 228.A NE2 no hydrogen 2.857 N/A LYS 255.A NZ SER 179.A O no hydrogen 2.791 N/A LYS 255.A NZ HIS 270.A ND1 no hydrogen 2.949 N/A GLY 256.A N ALA 46.A O no hydrogen 2.878 N/A LYS 257.A N THR 254.A O no hydrogen 2.964 N/A GLY 258.A N GLU 263.A OE2 no hydrogen 2.773 N/A LEU 259.A N GLY 256.A O no hydrogen 3.159 N/A TYR 261.A OH ALA 278.A O no hydrogen 2.960 N/A GLU 263.A N LEU 259.A O no hydrogen 2.940 N/A ALA 264.A N SER 260.A O no hydrogen 3.067 N/A ASP 265.A N TYR 261.A O no hydrogen 3.174 N/A TYR 268.A N ASP 265.A OD1 no hydrogen 3.352 N/A TRP 269.A N ASP 265.A O no hydrogen 3.289 N/A HIS 270.A N ILE 267.A O no hydrogen 3.308 N/A GLY 271.A N TYR 268.A O no hydrogen 3.153 N/A ALA 273.A N TYR 268.A OH no hydrogen 3.019 N/A PHE 275.A N SER 39.A O no hydrogen 3.043 N/A ASP 276.A N GLU 281.A O no hydrogen 2.998 N/A ALA 278.A N ASP 276.A OD1 no hydrogen 3.111 N/A THR 279.A N ASP 276.A O no hydrogen 3.179 N/A GLY 280.A N ASP 276.A O no hydrogen 2.775 N/A GLU 281.A N THR 279.A OG1 no hydrogen 3.151 N/A VAL 283.A N LYS 274.A O no hydrogen 2.986 N/A SER 285.A OG.A SER 285.A O.A no hydrogen 2.596 N/A SER 285.A OG.A SER 286.A O.B no hydrogen 3.514 N/A TYR 288.A N.B SER 286.A OG.B no hydrogen 3.174 N/A TYR 288.A OH.A GLU 296.A OE1 no hydrogen 2.856 N/A TRP 290.A N GLY 447.A O no hydrogen 2.941 N/A SER 291.A OG GLY 318.A O no hydrogen 3.154 N/A SER 291.A OG ASP 388.A OD2 no hydrogen 2.514 N/A ALA 292.A N SER 289.A OG no hydrogen 3.017 N/A ALA 293.A N SER 289.A O no hydrogen 3.010 N/A PHE 294.A N TRP 290.A O no hydrogen 2.911 N/A GLY 295.A N SER 291.A O no hydrogen 2.892 N/A GLU 296.A N ALA 292.A O no hydrogen 2.941 N/A ALA 297.A N ALA 293.A O no hydrogen 3.046 N/A VAL 298.A N PHE 294.A O no hydrogen 2.856 N/A THR 299.A N GLY 295.A O no hydrogen 3.035 N/A THR 299.A OG1 GLY 295.A O no hydrogen 2.723 N/A GLU 300.A N GLU 296.A O no hydrogen 3.031 N/A TRP 301.A N ALA 297.A O no hydrogen 2.838 N/A TRP 301.A NE1 ASP 305.A OD2 no hydrogen 3.028 N/A ALA 302.A N VAL 298.A O no hydrogen 2.972 N/A LYS 303.A N GLU 300.A O no hydrogen 3.217 N/A THR 304.A N TRP 301.A O no hydrogen 3.203 N/A THR 304.A OG1 TRP 301.A O no hydrogen 3.366 N/A ASP 305.A N TRP 301.A O no hydrogen 3.181 N/A ARG 307.A N ASP 305.A OD1 no hydrogen 3.000 N/A ARG 307.A NH2 GLY 353.A O no hydrogen 2.926 N/A THR 308.A N ASP 305.A O no hydrogen 3.189 N/A THR 308.A OG1 ASP 305.A OD2 no hydrogen 2.720 N/A VAL 310.A N ARG 331.A O no hydrogen 2.900 N/A VAL 311.A N VAL 357.A O no hydrogen 2.872 N/A THR 312.A N LEU 333.A O no hydrogen 2.934 N/A ALA 314.A N ASP 334.A OD1 no hydrogen 2.956 N/A MET 315.A N THR 312.A OG1 no hydrogen 3.114 N/A ARG 316.A NE GLU 317.A OE2 no hydrogen 3.121 N/A ARG 316.A NH2 GLU 182.A OE2 no hydrogen 2.861 N/A ARG 316.A NH2 GLU 317.A OE2 no hydrogen 2.867 N/A SER 319.A N MET 315.A O no hydrogen 2.984 N/A GLY 320.A N GLU 317.A O no hydrogen 3.094 N/A LEU 321.A N ARG 316.A O no hydrogen 2.827 N/A SER 325.A N LEU 321.A O no hydrogen 2.950 N/A SER 325.A OG LEU 321.A O no hydrogen 3.482 N/A SER 325.A OG VAL 322.A O no hydrogen 2.730 N/A ARG 326.A N VAL 322.A O no hydrogen 3.246 N/A ARG 326.A N GLU 323.A O no hydrogen 3.138 N/A ARG 326.A NE.B GLU 323.A OE1 no hydrogen 3.048 N/A ARG 326.A NH2.B GLU 323.A OE1 no hydrogen 3.441 N/A ARG 326.A NH2.B GLU 323.A OE2 no hydrogen 2.885 N/A VAL 327.A N GLU 323.A O no hydrogen 2.816 N/A HIS 328.A N PHE 324.A O no hydrogen 2.701 N/A HIS 328.A NE2 THR 299.A O no hydrogen 2.843 N/A ARG 331.A N HIS 328.A O no hydrogen 2.990 N/A ARG 331.A NE PRO 306.A O no hydrogen 2.909 N/A ARG 331.A NH1 HIS 330.A O no hydrogen 3.277 N/A ARG 331.A NH2 PRO 306.A O no hydrogen 3.305 N/A LEU 333.A N VAL 310.A O no hydrogen 2.963 N/A VAL 335.A N THR 312.A O no hydrogen 3.162 N/A GLY 336.A N ASP 334.A OD1 no hydrogen 2.912 N/A ILE 337.A N THR 151.A OG1 no hydrogen 2.963 N/A ALA 338.A N GLY 336.A O no hydrogen 2.801 N/A GLU 339.A N GLU 339.A OE1 no hydrogen 2.642 N/A GLU 340.A N GLU 340.A OE1.B no hydrogen 2.720 N/A GLU 340.A N GLU 340.A OE2.A no hydrogen 2.575 N/A ALA 342.A N ALA 338.A O no hydrogen 3.056 N/A VAL 343.A N GLU 339.A O no hydrogen 3.187 N/A THR 344.A N GLU 340.A O no hydrogen 3.341 N/A THR 344.A OG1 GLU 340.A O no hydrogen 3.326 N/A THR 344.A OG1 ASP 375.A OD2 no hydrogen 2.760 N/A THR 345.A N VAL 341.A O no hydrogen 2.855 N/A THR 345.A OG1 VAL 341.A O no hydrogen 2.664 N/A ALA 346.A N ALA 342.A O no hydrogen 3.101 N/A ALA 347.A N VAL 343.A O no hydrogen 2.936 N/A GLY 348.A N THR 344.A O no hydrogen 2.997 N/A MET 349.A N THR 345.A O no hydrogen 2.972 N/A ALA 350.A N ALA 346.A O no hydrogen 2.884 N/A LEU 351.A N ALA 347.A O no hydrogen 2.957 N/A GLN 352.A N GLY 348.A O no hydrogen 3.253 N/A GLN 352.A N MET 349.A O no hydrogen 3.041 N/A GLY 353.A N ALA 350.A O no hydrogen 3.152 N/A MET 354.A N MET 349.A O no hydrogen 3.039 N/A ARG 355.A N ARG 307.A O no hydrogen 2.761 N/A ARG 355.A NH1 HIS 436.A O no hydrogen 3.473 N/A VAL 357.A N PHE 309.A O no hydrogen 2.806 N/A VAL 358.A N THR 384.A O no hydrogen 2.745 N/A ALA 359.A N VAL 311.A O no hydrogen 3.000 N/A ILE 360.A N CYS 386.A O no hydrogen 3.191 N/A SER 362.A N ASP 388.A O no hydrogen 2.914 N/A SER 362.A OG GLY 402.A O no hydrogen 3.261 N/A SER 362.A OG ASP 405.A OD1 no hydrogen 2.713 N/A THR 363.A OG1 HIS 117.A NE2 no hydrogen 2.676 N/A THR 363.A OG1 THR 399.A O no hydrogen 3.044 N/A LEU 365.A N TYR 361.A O no hydrogen 2.836 N/A ARG 367.A N PHE 364.A O no hydrogen 3.019 N/A ARG 367.A NH1 ALA 118.A O no hydrogen 3.152 N/A ARG 367.A NH2 ALA 118.A O no hydrogen 2.771 N/A ALA 368.A N LEU 365.A O no hydrogen 2.853 N/A TYR 369.A N GLN 366.A O no hydrogen 3.399 N/A VAL 372.A N ALA 368.A O no hydrogen 2.902 N/A LEU 373.A N TYR 369.A O no hydrogen 3.023 N/A HIS 374.A N ASP 370.A O no hydrogen 2.662 N/A HIS 374.A ND1 ASP 375.A OD1 no hydrogen 2.802 N/A ASP 375.A N GLN 371.A O no hydrogen 3.008 N/A VAL 376.A N VAL 372.A O no hydrogen 3.293 N/A ALA 377.A N VAL 372.A O no hydrogen 2.919 N/A HIS 380.A N ALA 377.A O no hydrogen 3.010 N/A LEU 381.A N VAL 376.A O no hydrogen 2.857 N/A VAL 383.A N LEU 381.A O no hydrogen 2.834 N/A THR 384.A N PRO 356.A O no hydrogen 3.051 N/A THR 384.A OG1 GLN 434.A OE1 no hydrogen 2.621 N/A PHE 385.A N PHE 440.A O no hydrogen 2.792 N/A CYS 386.A N VAL 358.A O no hydrogen 2.907 N/A ILE 387.A N ILE 442.A O no hydrogen 2.669 N/A ASP 388.A N ILE 360.A O no hydrogen 3.062 N/A ARG 389.A N ASP 388.A OD1 no hydrogen 2.747 N/A ARG 389.A NH1 ASP 388.A OD1 no hydrogen 3.316 N/A ARG 389.A NH1 ASP 388.A OD2 no hydrogen 3.337 N/A ALA 390.A N TYR 444.A O no hydrogen 2.950 N/A GLY 391.A N GLY 402.A O no hydrogen 2.702 N/A ILE 392.A N ASP 527.A OD1 no hydrogen 3.161 N/A VAL 393.A N ASN 401.A OD1 no hydrogen 2.815 N/A GLY 394.A N ASN 401.A OD1 no hydrogen 3.203 N/A GLY 397.A N GLY 394.A O no hydrogen 2.936 N/A THR 399.A OG1 HIS 400.A ND1 no hydrogen 2.906 N/A HIS 400.A N GLY 397.A O no hydrogen 3.056 N/A HIS 400.A ND1 THR 399.A OG1 no hydrogen 2.906 N/A ASN 401.A N GLY 397.A O no hydrogen 3.035 N/A GLY 402.A N GLY 391.A O no hydrogen 2.858 N/A LEU 406.A N ASN 528.A OD1 no hydrogen 3.060 N/A SER 407.A N PHE 404.A O no hydrogen 2.884 N/A SER 407.A OG VAL 531.A O no hydrogen 2.725 N/A PHE 408.A N PHE 404.A O no hydrogen 2.971 N/A LEU 409.A N ASP 405.A O no hydrogen 3.054 N/A ARG 410.A NE GLY 532.A O no hydrogen 2.996 N/A ARG 410.A NH1 GLY 532.A O no hydrogen 3.030 N/A ARG 410.A NH1 GLU 540.A OE2 no hydrogen 3.158 N/A ARG 410.A NH2 GLU 540.A OE1 no hydrogen 3.094 N/A ILE 412.A N LEU 409.A O no hydrogen 3.122 N/A VAL 415.A N ILE 412.A O no hydrogen 3.405 N/A ARG 416.A N PRO 439.A O no hydrogen 3.291 N/A ARG 416.A NE GLY 414.A O no hydrogen 2.843 N/A ARG 416.A NE PRO 439.A O no hydrogen 3.201 N/A ARG 416.A NH1 ASP 437.A O no hydrogen 2.923 N/A ARG 416.A NH1 PRO 439.A O no hydrogen 3.027 N/A ILE 417.A N LYS 505.A O no hydrogen 2.932 N/A GLY 418.A N ALA 441.A O no hydrogen 2.781 N/A LEU 419.A N ARG 502.A O no hydrogen 2.725 N/A LYS 421.A N GLU 425.A OE2 no hydrogen 2.959 N/A GLU 425.A N ASP 422.A OD1 no hydrogen 2.899 N/A LEU 426.A N ASP 422.A O no hydrogen 2.946 N/A ARG 427.A N ALA 423.A O no hydrogen 2.911 N/A ARG 427.A NH1 GLU 300.A OE1 no hydrogen 3.164 N/A ARG 427.A NH1 GLU 300.A OE2 no hydrogen 3.492 N/A ARG 427.A NH1 THR 456.A O no hydrogen 2.935 N/A ARG 427.A NH2 GLU 296.A OE2 no hydrogen 3.138 N/A ARG 427.A NH2 GLU 300.A OE2 no hydrogen 2.834 N/A GLY 428.A N ALA 424.A O no hydrogen 2.865 N/A MET 429.A N GLU 425.A O no hydrogen 2.940 N/A LEU 430.A N LEU 426.A O no hydrogen 2.864 N/A LYS 431.A N ARG 427.A O no hydrogen 2.826 N/A LYS 431.A NZ TRP 457.A O no hydrogen 3.181 N/A LYS 431.A NZ ASP 459.A OD1 no hydrogen 2.674 N/A TYR 432.A N GLY 428.A O no hydrogen 3.021 N/A ALA 433.A N MET 429.A O no hydrogen 2.892 N/A GLN 434.A N LEU 430.A O no hydrogen 3.002 N/A GLN 434.A NE2 THR 308.A OG1 no hydrogen 3.103 N/A GLN 434.A NE2 ARG 355.A O no hydrogen 2.892 N/A THR 435.A N TYR 432.A O no hydrogen 3.175 N/A THR 435.A OG1 LYS 431.A O no hydrogen 2.759 N/A THR 435.A OG1 TYR 432.A O no hydrogen 3.234 N/A THR 435.A OG1 HIS 436.A ND1 no hydrogen 3.235 N/A HIS 436.A ND1 TYR 432.A O no hydrogen 2.806 N/A GLY 438.A N ASN 382.A OD1 no hydrogen 2.929 N/A PHE 440.A N VAL 383.A O no hydrogen 3.234 N/A ALA 441.A N ARG 416.A O no hydrogen 2.636 N/A ILE 442.A N PHE 385.A O no hydrogen 2.794 N/A ARG 443.A N GLY 418.A O no hydrogen 3.069 N/A ARG 443.A NE ASP 405.A OD2 no hydrogen 2.748 N/A ARG 443.A NH1 ASP 405.A OD1 no hydrogen 2.591 N/A ARG 443.A NH1 ASP 405.A OD2 no hydrogen 3.421 N/A ARG 443.A NH1 ASP 527.A O no hydrogen 3.273 N/A ARG 443.A NH2 ASP 527.A O no hydrogen 3.081 N/A TYR 444.A N ILE 387.A O no hydrogen 2.881 N/A THR 449.A N TYR 288.A O.A no hydrogen 3.023 N/A THR 449.A N TYR 288.A O.B no hydrogen 2.956 N/A GLN 451.A NE2 GLU 296.A OE1 no hydrogen 3.163 N/A GLY 455.A N GLU 300.A OE1 no hydrogen 2.602 N/A THR 456.A N PRO 453.A O no hydrogen 3.253 N/A THR 456.A OG1 PRO 453.A O no hydrogen 2.604 N/A TRP 457.A NE1 GLU 300.A OE1 no hydrogen 2.705 N/A TRP 462.A NE1 LYS 505.A O no hydrogen 3.254 N/A GLU 464.A N LYS 461.A O no hydrogen 3.110 N/A TRP 465.A N ASP 508.A OD2 no hydrogen 2.779 N/A TRP 465.A NE1 PHE 503.A O no hydrogen 2.877 N/A GLU 466.A N ASN 500.A O no hydrogen 3.304 N/A ARG 467.A NH2 LYS 469.A O no hydrogen 2.981 N/A ARG 467.A NH2 GLY 471.A O no hydrogen 2.881 N/A LEU 468.A N VAL 498.A O no hydrogen 2.863 N/A LYS 469.A N VAL 498.A O no hydrogen 3.108 N/A VAL 475.A N ALA 521.A O no hydrogen 3.295 N/A ILE 476.A N GLY 497.A O no hydrogen 2.780 N/A LEU 477.A N ILE 523.A O no hydrogen 2.637 N/A ALA 478.A N VAL 499.A O no hydrogen 3.243 N/A LEU 483.A N GLY 479.A O no hydrogen 3.234 N/A LEU 483.A N GLY 480.A O no hydrogen 2.940 N/A ASP 484.A N GLY 480.A O no hydrogen 3.284 N/A TYR 485.A N LYS 481.A O no hydrogen 3.364 N/A TYR 485.A OH HIS 570.A ND1 no hydrogen 2.816 N/A ALA 486.A N ALA 482.A O no hydrogen 3.025 N/A LEU 487.A N LEU 483.A O no hydrogen 2.870 N/A LYS 488.A N ASP 484.A O no hydrogen 3.064 N/A ALA 489.A N TYR 485.A O no hydrogen 2.868 N/A ALA 490.A N ALA 486.A O no hydrogen 3.010 N/A GLU 491.A N LYS 488.A O no hydrogen 3.388 N/A LEU 493.A N ALA 490.A O no hydrogen 3.078 N/A VAL 496.A N LEU 493.A O no hydrogen 3.269 N/A GLY 497.A N VAL 474.A O no hydrogen 2.892 N/A VAL 498.A N LYS 469.A O no hydrogen 3.162 N/A VAL 499.A N ILE 476.A O no hydrogen 2.834 N/A ASN 500.A N GLU 466.A O no hydrogen 2.712 N/A ASN 500.A ND2 GLU 425.A OE2 no hydrogen 3.126 N/A ALA 501.A N ALA 478.A O no hydrogen 2.795 N/A ARG 502.A NE GLU 464.A O no hydrogen 2.833 N/A ARG 502.A NH1 GLU 464.A O no hydrogen 3.088 N/A ARG 502.A NH2 GLU 425.A OE1 no hydrogen 3.034 N/A VAL 504.A N ILE 417.A O no hydrogen 3.010 N/A LYS 505.A N ILE 417.A O no hydrogen 3.407 N/A LYS 505.A NZ ARG 410.A O no hydrogen 2.721 N/A LYS 505.A NZ ILE 412.A O no hydrogen 2.744 N/A MET 511.A N ASP 508.A OD1 no hydrogen 3.011 N/A LEU 512.A N ASP 508.A O no hydrogen 2.897 N/A ARG 513.A N GLU 509.A O no hydrogen 2.954 N/A GLU 514.A N GLU 510.A O no hydrogen 3.248 N/A VAL 515.A N MET 511.A O no hydrogen 2.855 N/A GLY 516.A N LEU 512.A O no hydrogen 2.689 N/A GLY 517.A N ARG 513.A O no hydrogen 3.080 N/A ARG 518.A N GLU 514.A O no hydrogen 3.183 N/A ARG 518.A N VAL 515.A O no hydrogen 3.375 N/A ALA 519.A N VAL 515.A O no hydrogen 2.964 N/A ARG 520.A N ASP 473.A O no hydrogen 3.177 N/A ARG 520.A NE LEU 587.A O no hydrogen 3.365 N/A ARG 520.A NH2 LEU 587.A O no hydrogen 2.470 N/A LEU 522.A N THR 550.A O no hydrogen 2.649 N/A ILE 523.A N VAL 475.A O no hydrogen 2.970 N/A THR 524.A N ARG 552.A O no hydrogen 3.037 N/A VAL 525.A N LEU 477.A O no hydrogen 3.030 N/A GLU 526.A N LEU 554.A O no hydrogen 3.129 N/A ASN 528.A ND2 SER 407.A OG no hydrogen 3.292 N/A ASN 528.A ND2 GLU 526.A OE2 no hydrogen 3.372 N/A ASN 528.A ND2 THR 529.A O no hydrogen 2.929 N/A THR 529.A N VAL 403.A O no hydrogen 2.756 N/A VAL 530.A N ILE 556.A O no hydrogen 2.875 N/A VAL 531.A N THR 529.A OG1 no hydrogen 3.137 N/A PHE 534.A N GLU 526.A OE2 no hydrogen 2.748 N/A GLY 535.A N GLU 526.A OE1 no hydrogen 2.850 N/A ALA 537.A N GLY 533.A O no hydrogen 2.920 N/A VAL 538.A N PHE 534.A O no hydrogen 2.941 N/A LEU 539.A N GLY 535.A O no hydrogen 2.966 N/A GLU 540.A N GLY 536.A O no hydrogen 2.900 N/A ALA 541.A N ALA 537.A O no hydrogen 2.957 N/A LEU 542.A N VAL 538.A O no hydrogen 2.782 N/A ASN 543.A N LEU 539.A O no hydrogen 2.957 N/A SER 544.A N GLU 540.A O no hydrogen 3.082 N/A SER 544.A OG GLU 540.A O no hydrogen 3.125 N/A MET 545.A N ALA 541.A O no hydrogen 3.150 N/A MET 545.A N LEU 542.A O no hydrogen 3.193 N/A ASN 546.A N ASN 543.A O no hydrogen 2.967 N/A LEU 547.A N LEU 542.A O no hydrogen 2.968 N/A THR 550.A N ARG 520.A O no hydrogen 3.267 N/A ARG 552.A N LEU 522.A O no hydrogen 2.897 N/A ARG 552.A NH1.A GLU 586.A OE1 no hydrogen 2.514 N/A LEU 554.A N THR 524.A O no hydrogen 2.777 N/A ILE 556.A N ASN 528.A O no hydrogen 2.835 N/A GLU 559.A N PRO 557.A O no hydrogen 2.673 N/A GLN 561.A NE2 GLU 559.A O no hydrogen 2.943 N/A HIS 563.A NE2 GLY 98.A O no hydrogen 2.683 N/A ALA 564.A N GLY 394.A O no hydrogen 3.474 N/A SER 568.A N THR 565.A OG1 no hydrogen 2.959 N/A SER 568.A OG GLU 96.A OE1 no hydrogen 2.677 N/A SER 568.A OG GLU 96.A OE2 no hydrogen 3.367 N/A VAL 569.A N THR 565.A O no hydrogen 2.996 N/A HIS 570.A N ALA 566.A O no hydrogen 2.794 N/A HIS 570.A ND1 TYR 485.A OH no hydrogen 2.816 N/A HIS 570.A NE2 ASP 527.A OD1 no hydrogen 2.775 N/A ALA 571.A N GLU 567.A O no hydrogen 2.825 N/A ARG 572.A N SER 568.A O no hydrogen 3.022 N/A ARG 572.A NE SER 568.A OG no hydrogen 3.166 N/A ARG 572.A NH1 SER 568.A OG no hydrogen 3.073 N/A ALA 573.A N VAL 569.A O no hydrogen 2.719 N/A GLY 574.A N HIS 570.A O no hydrogen 2.976 N/A ILE 575.A N HIS 570.A O no hydrogen 3.138 N/A ALA 579.A N ASP 576.A OD1 no hydrogen 3.100 N/A ILE 580.A N ASP 576.A O no hydrogen 2.946 N/A ARG 581.A N ALA 577.A O no hydrogen 3.035 N/A ARG 581.A NH1 ASP 492.A OD2 no hydrogen 3.376 N/A ARG 581.A NH2 ALA 489.A O no hydrogen 2.766 N/A ARG 581.A NH2 ASP 492.A OD1 no hydrogen 2.672 N/A THR 582.A N PRO 578.A O no hydrogen 3.074 N/A THR 582.A OG1 PRO 578.A O no hydrogen 3.109 N/A VAL 583.A N ALA 579.A O no hydrogen 3.106 N/A LEU 584.A N ILE 580.A O no hydrogen 2.831 N/A ALA 585.A N ARG 581.A O no hydrogen 3.023 N/A GLU 586.A N THR 582.A O no hydrogen 3.004 N/A LEU 587.A N VAL 583.A O no hydrogen 2.951 N/A GLY 588.A N ALA 585.A O no hydrogen 3.055 N/A VAL 589.A N LEU 584.A O no hydrogen 2.951 N/A