Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N ILE 16.A O no hydrogen 2.798 N/A LEU 6.A N LEU 251.A O no hydrogen 2.659 N/A PHE 7.A N ARG 14.A O no hydrogen 3.114 N/A SER 8.A N ASP 249.A O no hydrogen 3.025 N/A SER 8.A OG SER 36.A O no hydrogen 2.833 N/A ARG 9.A N ASP 12.A O no hydrogen 3.141 N/A ARG 9.A NE ASP 245.A O no hydrogen 3.048 N/A ARG 9.A NE ASP 245.A OD1 no hydrogen 3.265 N/A ARG 9.A NH2 ASP 245.A OD1 no hydrogen 3.052 N/A ASP 12.A N ARG 9.A O no hydrogen 3.216 N/A ARG 14.A N PHE 7.A O no hydrogen 3.034 N/A ARG 15.A N VAL 25.A O no hydrogen 2.762 N/A ILE 16.A N LEU 5.A O no hydrogen 2.807 N/A SER 17.A N ASN 23.A O no hydrogen 3.491 N/A ASN 23.A N THR 20.A O no hydrogen 2.951 N/A ASN 23.A ND2 SER 17.A OG no hydrogen 2.972 N/A VAL 25.A N ARG 15.A O no hydrogen 3.135 N/A ILE 27.A N ILE 13.A O no hydrogen 2.851 N/A LYS 33.A N ASP 51.A OD2 no hydrogen 2.812 N/A GLU 34.A N ASP 51.A OD1 no hydrogen 3.108 N/A GLU 34.A N ASP 51.A OD2 no hydrogen 3.190 N/A ALA 35.A N ARG 10.A O no hydrogen 2.774 N/A SER 36.A N THR 50.A O no hydrogen 2.933 N/A ALA 37.A N THR 50.A OG1 no hydrogen 3.063 N/A LEU 38.A N ASP 249.A OD2 no hydrogen 2.900 N/A ASP 39.A N TYR 48.A O no hydrogen 2.846 N/A PHE 40.A N ASP 39.A OD1 no hydrogen 2.530 N/A ASP 41.A N ARG 46.A O no hydrogen 2.907 N/A VAL 42.A N GLN 258.A OE1 no hydrogen 3.303 N/A ASN 45.A N VAL 42.A O no hydrogen 2.954 N/A ARG 46.A N ASP 41.A O no hydrogen 3.151 N/A ARG 46.A NH1 ASP 44.A OD2 no hydrogen 2.624 N/A ILE 47.A N ALA 60.A O no hydrogen 2.710 N/A TYR 48.A N ASP 39.A O no hydrogen 2.684 N/A TRP 49.A N SER 58.A O no hydrogen 3.077 N/A THR 50.A N ALA 37.A O no hydrogen 3.057 N/A THR 50.A OG1 PRO 78.A O no hydrogen 2.708 N/A ASP 51.A N THR 56.A O no hydrogen 2.919 N/A ILE 52.A N GLU 34.A O no hydrogen 3.306 N/A SER 53.A N ASP 51.A OD1 no hydrogen 2.945 N/A LEU 54.A N ASP 51.A OD1 no hydrogen 2.822 N/A LYS 55.A NZ ILE 52.A O no hydrogen 3.184 N/A LYS 55.A NZ ASP 76.A O no hydrogen 2.578 N/A LYS 55.A NZ ASP 76.A OD2 no hydrogen 3.504 N/A THR 56.A N ASP 51.A O no hydrogen 3.177 N/A ILE 57.A N VAL 71.A O no hydrogen 2.806 N/A SER 58.A N TRP 49.A O no hydrogen 2.868 N/A SER 58.A OG HIS 69.A ND1 no hydrogen 2.652 N/A ARG 59.A N GLU 68.A O no hydrogen 2.961 N/A ARG 59.A NE GLU 68.A OE2 no hydrogen 2.740 N/A ARG 59.A NH1 TYR 48.A OH no hydrogen 3.453 N/A ARG 59.A NH2 GLU 68.A OE2 no hydrogen 2.920 N/A ALA 60.A N ILE 47.A O no hydrogen 3.088 N/A PHE 61.A N SER 65.A O no hydrogen 3.187 N/A MET 62.A N ASN 45.A O no hydrogen 3.047 N/A GLY 64.A N PHE 61.A O no hydrogen 2.883 N/A SER 65.A N ASN 63.A OD1 no hydrogen 3.390 N/A SER 65.A OG ASN 63.A OD1 no hydrogen 2.681 N/A GLU 68.A N ARG 59.A O no hydrogen 3.003 N/A HIS 69.A ND1 SER 58.A OG no hydrogen 2.652 N/A VAL 70.A N ILE 57.A O no hydrogen 2.748 N/A VAL 71.A N ILE 57.A O no hydrogen 3.113 N/A ASP 76.A N ASP 94.A OD2 no hydrogen 2.800 N/A TYR 77.A N ASP 94.A OD1 no hydrogen 2.774 N/A GLU 79.A N TYR 77.A O no hydrogen 2.832 N/A GLY 80.A N ALA 93.A O no hydrogen 3.179 N/A ALA 82.A N TYR 91.A O no hydrogen 3.007 N/A VAL 83.A N ASP 39.A OD2 no hydrogen 2.522 N/A ASP 84.A N ASN 89.A O no hydrogen 2.750 N/A TRP 85.A NE1 SER 259.A O no hydrogen 3.085 N/A LEU 86.A N ASP 84.A OD1 no hydrogen 3.243 N/A GLY 87.A N ASP 84.A OD1 no hydrogen 3.218 N/A ASN 89.A N ASP 84.A O no hydrogen 3.072 N/A ASN 89.A ND2 ASP 84.A OD2 no hydrogen 3.430 N/A ASN 89.A ND2 CYS 275.A O no hydrogen 2.767 N/A LEU 90.A N SER 103.A O no hydrogen 2.682 N/A TYR 91.A N ALA 82.A O no hydrogen 3.046 N/A TYR 91.A OH MET 149.A O no hydrogen 2.785 N/A TRP 92.A N GLU 101.A O no hydrogen 3.135 N/A ALA 93.A N GLY 80.A O no hydrogen 2.675 N/A ASP 94.A N ARG 99.A O no hydrogen 2.948 N/A THR 95.A N TYR 77.A O no hydrogen 2.910 N/A THR 95.A OG1 PRO 121.A O no hydrogen 2.977 N/A THR 97.A N ASP 94.A OD1 no hydrogen 2.828 N/A ARG 99.A N ASP 94.A O no hydrogen 3.365 N/A ARG 99.A NH1 ASP 327.A O no hydrogen 3.075 N/A ARG 99.A NH2 ASP 327.A O no hydrogen 2.929 N/A ILE 100.A N VAL 114.A O no hydrogen 2.993 N/A GLU 101.A N TRP 92.A O no hydrogen 2.944 N/A VAL 102.A N GLN 111.A O no hydrogen 2.818 N/A SER 103.A N LEU 90.A O no hydrogen 2.990 N/A SER 103.A OG LYS 104.A O no hydrogen 3.088 N/A LYS 104.A N GLN 108.A O no hydrogen 3.115 N/A LYS 104.A NZ GLY 87.A O no hydrogen 3.437 N/A LYS 104.A NZ ASN 89.A OD1 no hydrogen 3.394 N/A LEU 105.A N LYS 88.A O no hydrogen 3.347 N/A GLY 107.A N LYS 104.A O no hydrogen 2.630 N/A GLN 108.A N ASP 106.A OD1 no hydrogen 3.463 N/A ARG 110.A NH1 GLU 101.A OE1 no hydrogen 2.676 N/A ARG 110.A NH2 PHE 73.A O no hydrogen 2.428 N/A GLN 111.A N VAL 102.A O no hydrogen 2.854 N/A VAL 112.A N GLN 111.A OE1 no hydrogen 2.884 N/A LEU 113.A N ILE 100.A O no hydrogen 2.827 N/A VAL 114.A N ILE 100.A O no hydrogen 3.199 N/A LYS 116.A NZ GLN 323.A O no hydrogen 3.179 N/A ASP 119.A N GLU 137.A OE1 no hydrogen 3.174 N/A SER 120.A N ASN 98.A OD1 no hydrogen 2.879 N/A ARG 122.A N THR 136.A O no hydrogen 2.957 N/A ARG 122.A NH1 GLU 79.A OE1 no hydrogen 2.549 N/A ALA 123.A N THR 136.A OG1 no hydrogen 3.163 N/A ALA 125.A N TYR 134.A O no hydrogen 2.784 N/A GLU 130.A N ASP 127.A O no hydrogen 3.105 N/A GLY 131.A N ASP 127.A O no hydrogen 2.754 N/A PHE 132.A N ASP 127.A O no hydrogen 3.191 N/A MET 133.A N ALA 147.A O no hydrogen 2.811 N/A TYR 134.A N ALA 125.A O no hydrogen 2.771 N/A TRP 135.A N ASP 145.A O no hydrogen 3.277 N/A TRP 135.A NE1 GLU 137.A OE2 no hydrogen 3.026 N/A THR 136.A N ALA 123.A O no hydrogen 3.060 N/A THR 136.A OG1 ALA 164.A O no hydrogen 2.892 N/A GLU 137.A N LYS 143.A O no hydrogen 2.871 N/A TRP 138.A N SER 120.A O no hydrogen 2.980 N/A TRP 138.A NE1 ALA 164.A O no hydrogen 2.920 N/A GLY 139.A N ASP 119.A O no hydrogen 2.983 N/A LYS 141.A NZ PRO 159.A O no hydrogen 3.107 N/A LYS 143.A N GLU 137.A O no hydrogen 3.133 N/A LYS 143.A NZ ASP 145.A OD2 no hydrogen 3.482 N/A ILE 144.A N VAL 158.A O no hydrogen 2.978 N/A ASP 145.A N TRP 135.A O no hydrogen 3.019 N/A ARG 146.A N THR 155.A O no hydrogen 2.706 N/A ALA 147.A N MET 133.A O no hydrogen 3.061 N/A ALA 148.A N SER 152.A O no hydrogen 2.833 N/A MET 149.A N GLY 131.A O no hydrogen 3.290 N/A GLY 151.A N ALA 148.A O no hydrogen 2.862 N/A SER 152.A N ASP 150.A OD1 no hydrogen 2.915 N/A ARG 154.A NE ASP 145.A OD2 no hydrogen 2.841 N/A ARG 154.A NH1 ASP 117.A O no hydrogen 2.903 N/A ARG 154.A NH2 ASP 117.A O no hydrogen 2.735 N/A ARG 154.A NH2 ASP 145.A OD2 no hydrogen 3.039 N/A THR 155.A N ARG 146.A O no hydrogen 2.850 N/A THR 156.A OG1 ASP 145.A OD1 no hydrogen 2.796 N/A LEU 157.A N ILE 144.A O no hydrogen 2.698 N/A VAL 158.A N ILE 144.A O no hydrogen 2.983 N/A ASN 160.A N ASN 160.A OD1 no hydrogen 2.586 N/A GLY 162.A N ASP 180.A OD2 no hydrogen 3.055 N/A ARG 163.A N ASP 182.A OD2 no hydrogen 3.200 N/A ARG 163.A NH1 ASP 182.A OD1 no hydrogen 3.234 N/A ARG 163.A NH1 ASP 182.A OD2 no hydrogen 2.914 N/A ASN 165.A N THR 179.A O no hydrogen 2.882 N/A ASN 165.A ND2 PHE 207.A O no hydrogen 3.011 N/A THR 168.A N TYR 177.A O no hydrogen 2.891 N/A THR 168.A OG1 GLY 166.A O no hydrogen 2.973 N/A THR 168.A OG1 LEU 209.A O no hydrogen 3.280 N/A ASP 170.A N ARG 175.A O no hydrogen 2.958 N/A TYR 171.A OH LEU 126.A O no hydrogen 3.098 N/A LYS 173.A N ASP 170.A OD1 no hydrogen 3.412 N/A ARG 175.A N ASP 170.A O no hydrogen 3.283 N/A ARG 175.A NE SER 188.A OG no hydrogen 3.082 N/A ARG 175.A NH2 SER 188.A OG no hydrogen 3.383 N/A ARG 175.A NH2 ASN 195.A O no hydrogen 2.793 N/A LEU 176.A N SER 189.A O no hydrogen 2.662 N/A TYR 177.A N THR 168.A O no hydrogen 2.918 N/A TRP 178.A N GLU 187.A O no hydrogen 3.403 N/A TRP 178.A NE1 GLU 187.A OE1 no hydrogen 2.741 N/A THR 179.A N ASN 165.A O no hydrogen 2.889 N/A THR 179.A OG1 ASN 165.A O no hydrogen 3.091 N/A THR 179.A OG1 PHE 207.A O no hydrogen 2.885 N/A ASP 180.A N LEU 185.A O no hydrogen 2.691 N/A LEU 181.A N ARG 163.A O no hydrogen 2.915 N/A ASP 182.A N ASP 180.A OD1 no hydrogen 3.124 N/A THR 183.A N ASP 180.A OD1 no hydrogen 2.903 N/A THR 183.A OG1 ASP 180.A OD2 no hydrogen 2.906 N/A ASN 184.A N ASP 180.A O no hydrogen 2.577 N/A ASN 184.A ND2 LEU 203.A O no hydrogen 3.244 N/A ASN 184.A ND2 PRO 204.A O no hydrogen 3.073 N/A LEU 185.A N ASP 180.A O no hydrogen 3.165 N/A ILE 186.A N ALA 200.A O no hydrogen 2.869 N/A GLU 187.A N TRP 178.A O no hydrogen 2.948 N/A SER 188.A OG LEU 176.A O no hydrogen 3.492 N/A SER 189.A N LEU 176.A O no hydrogen 2.928 N/A SER 189.A OG ASN 190.A O no hydrogen 3.167 N/A ASN 190.A N LEU 194.A O no hydrogen 3.032 N/A LEU 192.A N ASN 190.A OD1 no hydrogen 3.148 N/A GLY 193.A N ASN 190.A O no hydrogen 2.654 N/A LEU 194.A N ASN 190.A OD1 no hydrogen 2.637 N/A ARG 196.A NE GLU 187.A OE2 no hydrogen 2.908 N/A ARG 196.A NH1 ASN 160.A O no hydrogen 2.946 N/A ARG 196.A NH1 ASN 160.A OD1 no hydrogen 3.169 N/A ARG 196.A NH2 ASN 160.A O no hydrogen 2.885 N/A ARG 196.A NH2 GLU 187.A OE1 no hydrogen 3.231 N/A ARG 196.A NH2 GLU 187.A OE2 no hydrogen 2.854 N/A GLU 197.A N SER 188.A O no hydrogen 2.751 N/A ILE 199.A N ILE 186.A O no hydrogen 2.831 N/A ALA 200.A N ILE 186.A O no hydrogen 3.412 N/A HIS 205.A N ASP 220.A OD2 no hydrogen 2.943 N/A PHE 207.A N THR 219.A O no hydrogen 2.955 N/A GLY 208.A N THR 219.A OG1 no hydrogen 2.756 N/A THR 210.A N TYR 217.A O no hydrogen 2.830 N/A TYR 212.A N TYR 215.A O no hydrogen 3.086 N/A TYR 212.A OH HIS 254.A ND1 no hydrogen 3.313 N/A TYR 215.A N TYR 212.A O no hydrogen 3.207 N/A ILE 216.A N ALA 229.A O no hydrogen 2.836 N/A TYR 217.A N THR 210.A O no hydrogen 2.866 N/A TRP 218.A N GLU 227.A O no hydrogen 3.188 N/A THR 219.A N GLY 208.A O no hydrogen 3.212 N/A ASP 220.A N SER 225.A O no hydrogen 3.071 N/A TRP 221.A N HIS 205.A O no hydrogen 2.898 N/A SER 222.A N ASP 220.A OD1 no hydrogen 2.934 N/A SER 222.A OG ASP 220.A OD1 no hydrogen 2.953 N/A ARG 223.A N ASP 220.A OD1 no hydrogen 2.722 N/A ARG 224.A NH2 ASP 245.A OD2 no hydrogen 2.864 N/A SER 225.A N ASP 220.A O no hydrogen 3.376 N/A SER 225.A OG GLU 227.A OE1 no hydrogen 2.903 N/A ILE 226.A N GLN 241.A O no hydrogen 2.938 N/A GLU 227.A N TRP 218.A O no hydrogen 2.922 N/A ARG 228.A N THR 238.A O no hydrogen 3.097 N/A ALA 229.A N ILE 216.A O no hydrogen 3.015 N/A ASN 230.A N GLN 235.A O no hydrogen 2.796 N/A ASN 230.A ND2 ASN 236.A OD1 no hydrogen 3.509 N/A LYS 231.A N ASP 214.A O no hydrogen 2.831 N/A LYS 231.A NZ ASP 170.A OD2 no hydrogen 2.732 N/A LYS 231.A NZ GLN 213.A O no hydrogen 2.746 N/A THR 232.A N ASN 230.A OD1 no hydrogen 3.018 N/A THR 232.A OG1 ASN 230.A OD1 no hydrogen 3.007 N/A SER 233.A N ASN 230.A OD1 no hydrogen 2.749 N/A GLY 234.A N ASN 230.A O no hydrogen 2.583 N/A ARG 237.A NH1 GLY 234.A O no hydrogen 2.917 N/A ARG 237.A NH2 ASP 202.A OD1 no hydrogen 3.439 N/A ARG 237.A NH2 ASP 202.A OD2 no hydrogen 3.092 N/A THR 238.A N ARG 228.A O no hydrogen 3.311 N/A ILE 240.A N ILE 226.A O no hydrogen 2.901 N/A GLN 241.A N ILE 226.A O no hydrogen 3.249 N/A LEU 244.A N ARG 224.A O no hydrogen 2.881 N/A MET 248.A N SER 8.A O no hydrogen 3.019 N/A ASP 249.A N SER 8.A OG no hydrogen 3.172 N/A LEU 251.A N LEU 6.A O no hydrogen 2.772 N/A PHE 253.A N PHE 4.A O no hydrogen 2.910 N/A HIS 254.A ND1 SER 256.A OG no hydrogen 2.749 N/A SER 256.A N HIS 254.A ND1 no hydrogen 3.184 N/A SER 256.A OG HIS 254.A ND1 no hydrogen 2.749 N/A ARG 257.A N HIS 254.A O no hydrogen 3.030 N/A ARG 257.A NH1 ILE 169.A O no hydrogen 3.116 N/A GLN 258.A N SER 255.A O no hydrogen 3.166 N/A GLN 258.A NE2 PHE 40.A O no hydrogen 2.737 N/A ALA 265.A N ASN 262.A O no hydrogen 2.804 N/A SER 266.A N GLU 263.A O no hydrogen 3.344 N/A SER 266.A OG GLU 263.A O no hydrogen 2.613 N/A ASN 268.A N CYS 264.A O no hydrogen 3.234 N/A HIS 270.A N SER 267.A O no hydrogen 3.121 N/A CYS 271.A N ASN 268.A O no hydrogen 3.082 N/A CYS 271.A SG GLY 269.A O no hydrogen 3.655 N/A CYS 271.A SG LEU 274.A O no hydrogen 3.732 N/A SER 272.A N ARG 298.A O no hydrogen 2.970 N/A SER 272.A OG ARG 298.A O no hydrogen 2.945 N/A LEU 274.A N GLY 286.A O no hydrogen 3.122 N/A LEU 276.A N VAL 284.A O no hydrogen 2.851 N/A VAL 278.A N GLY 282.A O no hydrogen 2.892 N/A GLY 281.A N VAL 278.A O no hydrogen 3.199 N/A VAL 284.A N LEU 276.A O no hydrogen 2.802 N/A CYS 285.A SG ASN 297.A O no hydrogen 3.306 N/A GLY 286.A N LEU 274.A O no hydrogen 2.822 N/A ALA 289.A N ARG 110.A O no hydrogen 2.841 N/A HIS 290.A NE2 PRO 326.A O no hydrogen 2.939 N/A TYR 291.A N PRO 288.A O no hydrogen 3.188 N/A SER 292.A N SER 301.A O no hydrogen 2.813 N/A ASN 294.A N THR 299.A O no hydrogen 2.763 N/A ASN 294.A ND2 THR 299.A OG1 no hydrogen 2.689 N/A ASN 297.A N ASN 294.A O no hydrogen 2.976 N/A ARG 298.A N ASP 296.A OD1 no hydrogen 3.367 N/A THR 299.A N ASP 296.A OD1 no hydrogen 3.095 N/A THR 299.A OG1 ASP 296.A OD1 no hydrogen 2.669 N/A THR 299.A OG1 ASP 296.A OD2 no hydrogen 2.895 N/A CYS 300.A SG GLY 286.A O no hydrogen 3.607 N/A SER 301.A N SER 292.A O no hydrogen 2.865 N/A SER 301.A OG ASN 294.A OD1 no hydrogen 2.971 N/A PHE 306.A N VAL 558.A O no hydrogen 3.010 N/A LEU 307.A N MET 318.A O no hydrogen 2.756 N/A LEU 308.A N HIS 556.A O no hydrogen 2.730 N/A PHE 309.A N ASN 316.A O no hydrogen 3.034 N/A SER 310.A N ASP 554.A O no hydrogen 2.675 N/A SER 310.A OG SER 553.A OG no hydrogen 2.779 N/A SER 310.A OG ASP 554.A O no hydrogen 3.201 N/A GLN 311.A N ALA 314.A O no hydrogen 2.809 N/A LYS 312.A N GLN 551.A O no hydrogen 2.844 N/A SER 313.A OG ARG 336.A O no hydrogen 3.450 N/A ALA 314.A N GLN 311.A O no hydrogen 3.373 N/A ASN 316.A N PHE 309.A O no hydrogen 2.881 N/A ASN 316.A ND2 PHE 309.A O no hydrogen 3.159 N/A ARG 317.A N ILE 328.A O no hydrogen 3.047 N/A ARG 317.A NE HIS 290.A ND1 no hydrogen 2.832 N/A ARG 317.A NH1 GLU 365.A OE1 no hydrogen 3.257 N/A ARG 317.A NH2 HIS 290.A ND1 no hydrogen 3.113 N/A MET 318.A N LEU 307.A O no hydrogen 2.808 N/A GLN 324.A N ASP 321.A O no hydrogen 2.981 N/A SER 325.A OG ASP 321.A OD2 no hydrogen 3.084 N/A SER 325.A OG GLN 323.A OE1 no hydrogen 2.973 N/A ILE 328.A N ARG 317.A O no hydrogen 3.012 N/A LEU 330.A N ILE 315.A O no hydrogen 3.005 N/A ILE 332.A N LEU 330.A O no hydrogen 2.680 N/A SER 334.A OG HIS 333.A O no hydrogen 2.627 N/A ARG 336.A N ASP 354.A OD1 no hydrogen 3.527 N/A ASN 337.A N ASP 354.A OD2 no hydrogen 3.011 N/A VAL 338.A N LYS 312.A O no hydrogen 3.072 N/A ARG 339.A N ILE 353.A O no hydrogen 2.957 N/A ARG 339.A NH2 GLU 397.A OE1 no hydrogen 2.894 N/A ILE 341.A N ASP 554.A OD2 no hydrogen 2.801 N/A ASP 342.A N TYR 351.A O no hydrogen 3.003 N/A TYR 343.A N ASP 342.A OD1 no hydrogen 2.729 N/A TYR 343.A OH GLU 365.A OE2 no hydrogen 2.724 N/A ASP 344.A N GLN 349.A O no hydrogen 2.850 N/A LEU 346.A N ASP 344.A OD1 no hydrogen 2.930 N/A ASP 347.A N ASP 344.A OD2 no hydrogen 3.391 N/A GLN 349.A N ASP 344.A O no hydrogen 3.182 N/A GLN 349.A NE2 ASP 347.A O no hydrogen 2.775 N/A GLN 349.A NE2 GLN 364.A OE1 no hydrogen 2.800 N/A LEU 350.A N ALA 363.A O no hydrogen 2.657 N/A TYR 351.A N ASP 342.A O no hydrogen 3.091 N/A TRP 352.A N ARG 361.A O no hydrogen 2.992 N/A ILE 353.A N ALA 340.A O no hydrogen 3.036 N/A ASP 354.A N MET 359.A O no hydrogen 2.914 N/A SER 355.A N ASN 337.A O no hydrogen 2.881 N/A MET 359.A N ASP 354.A O no hydrogen 3.175 N/A ILE 360.A N VAL 374.A O no hydrogen 2.936 N/A ARG 361.A N TRP 352.A O no hydrogen 2.885 N/A LYS 362.A N PHE 371.A O no hydrogen 2.939 N/A LYS 362.A NZ GLN 369.A O no hydrogen 2.512 N/A ALA 363.A N LEU 350.A O no hydrogen 2.826 N/A GLN 364.A N SER 368.A O no hydrogen 3.094 N/A GLY 367.A N GLN 364.A O no hydrogen 2.712 N/A SER 368.A N ASP 366.A OD1 no hydrogen 3.458 N/A SER 368.A OG ASP 366.A OD1 no hydrogen 3.014 N/A SER 368.A OG ASP 366.A OD2 no hydrogen 3.060 N/A PHE 371.A N LYS 362.A O no hydrogen 2.890 N/A VAL 373.A N ILE 360.A O no hydrogen 2.866 N/A VAL 374.A N ILE 360.A O no hydrogen 3.196 N/A TYR 381.A N THR 395.A O no hydrogen 2.767 N/A LEU 383.A N ASP 382.A OD2 no hydrogen 2.688 N/A SER 384.A N TYR 393.A O no hydrogen 2.744 N/A ILE 385.A N ASP 342.A OD2 no hydrogen 2.774 N/A ASP 386.A N TYR 391.A O no hydrogen 3.031 N/A TYR 388.A N ASP 386.A OD1 no hydrogen 3.079 N/A TYR 388.A OH GLU 431.A OE2 no hydrogen 2.807 N/A SER 389.A N ASP 386.A OD1 no hydrogen 3.174 N/A SER 389.A OG ASP 386.A OD2 no hydrogen 3.012 N/A SER 389.A OG TYR 391.A OH no hydrogen 3.196 N/A SER 389.A OG CYS 582.A O no hydrogen 3.054 N/A ARG 390.A N ASP 386.A O no hydrogen 3.070 N/A ARG 390.A NE ILE 387.A O no hydrogen 3.160 N/A ARG 390.A NH1 ASP 344.A OD2 no hydrogen 3.100 N/A ARG 390.A NH2 ASP 344.A OD1 no hydrogen 2.619 N/A ARG 390.A NH2 ILE 387.A O no hydrogen 3.086 N/A ILE 392.A N THR 405.A O no hydrogen 2.520 N/A TYR 393.A N SER 384.A O no hydrogen 2.923 N/A TYR 393.A OH LEU 452.A O no hydrogen 2.642 N/A TRP 394.A N ASN 403.A O no hydrogen 2.912 N/A TRP 394.A NE1 THR 405.A OG1 no hydrogen 3.386 N/A THR 395.A N ASP 382.A O no hydrogen 2.951 N/A THR 395.A OG1 ARG 424.A O no hydrogen 2.718 N/A CYS 396.A N VAL 401.A O no hydrogen 3.070 N/A GLU 397.A N GLN 379.A O no hydrogen 2.769 N/A ILE 402.A N LEU 416.A O no hydrogen 2.979 N/A ASN 403.A N TRP 394.A O no hydrogen 2.812 N/A VAL 404.A N GLY 413.A O no hydrogen 2.844 N/A THR 405.A N ILE 392.A O no hydrogen 2.858 N/A ARG 406.A N ARG 410.A O no hydrogen 2.896 N/A ARG 406.A NH1 SER 579.A O no hydrogen 3.485 N/A LEU 407.A N ARG 390.A O no hydrogen 3.457 N/A GLY 409.A N ARG 406.A O no hydrogen 3.019 N/A ARG 410.A N ASP 408.A OD1 no hydrogen 3.089 N/A VAL 412.A N VAL 404.A O no hydrogen 3.163 N/A GLY 413.A N VAL 404.A O no hydrogen 3.263 N/A VAL 415.A N ILE 402.A O no hydrogen 3.064 N/A LYS 417.A NZ THR 399.A OG1 no hydrogen 3.047 N/A ARG 422.A N ASN 439.A OD1 no hydrogen 2.655 N/A ARG 424.A N THR 438.A O no hydrogen 3.103 N/A ARG 424.A NH1 ASN 400.A OD1 no hydrogen 3.047 N/A ARG 424.A NH1 PRO 423.A O no hydrogen 2.714 N/A ARG 424.A NH2 ASN 400.A OD1 no hydrogen 2.996 N/A ALA 425.A N THR 438.A OG1 no hydrogen 2.889 N/A ILE 426.A N ASP 382.A OD1 no hydrogen 2.939 N/A VAL 427.A N TYR 436.A O no hydrogen 2.790 N/A VAL 428.A N SER 384.A OG no hydrogen 2.907 N/A ASN 429.A N TYR 434.A O no hydrogen 2.968 N/A GLU 431.A N GLU 431.A OE1 no hydrogen 2.621 N/A LYS 432.A N ASN 429.A O no hydrogen 2.930 N/A GLY 433.A N PRO 430.A O no hydrogen 3.036 N/A TYR 434.A N ASN 429.A O no hydrogen 3.323 N/A MET 435.A N ALA 450.A O no hydrogen 2.731 N/A TYR 436.A N VAL 427.A O no hydrogen 2.794 N/A PHE 437.A N GLU 448.A O no hydrogen 3.180 N/A THR 438.A N ALA 425.A O no hydrogen 2.874 N/A THR 438.A OG1 PRO 468.A O no hydrogen 3.345 N/A ASN 439.A N LYS 446.A O no hydrogen 2.608 N/A ASN 439.A ND2 GLN 441.A OE1 no hydrogen 3.046 N/A ASN 439.A ND2 GLU 448.A OE2 no hydrogen 2.898 N/A LEU 440.A N ARG 422.A O no hydrogen 2.911 N/A GLN 441.A N ASN 439.A O no hydrogen 2.951 N/A GLN 441.A NE2 SER 444.A O no hydrogen 3.690 N/A LYS 446.A N ASN 439.A O no hydrogen 2.986 N/A ILE 447.A N PHE 461.A O no hydrogen 2.974 N/A GLU 448.A N PHE 437.A O no hydrogen 2.846 N/A ARG 449.A N GLU 458.A O no hydrogen 2.986 N/A ARG 449.A NH2 GLU 458.A OE2 no hydrogen 2.730 N/A ALA 450.A N MET 435.A O no hydrogen 3.072 N/A ALA 451.A N THR 455.A O no hydrogen 2.868 N/A LEU 452.A N GLY 433.A O no hydrogen 3.276 N/A GLY 454.A N ALA 451.A O no hydrogen 2.753 N/A THR 455.A N ASP 453.A OD1 no hydrogen 3.009 N/A THR 455.A OG1 ASP 453.A OD1 no hydrogen 2.510 N/A THR 455.A OG1 ASP 453.A OD2 no hydrogen 3.112 N/A ARG 457.A NE GLU 448.A OE1 no hydrogen 3.121 N/A ARG 457.A NH1 ASP 421.A OD2 no hydrogen 3.023 N/A ARG 457.A NH2 ASP 421.A OD2 no hydrogen 3.087 N/A ARG 457.A NH2 GLU 448.A OE1 no hydrogen 2.977 N/A ARG 457.A NH2 GLU 448.A OE2 no hydrogen 3.270 N/A GLU 458.A N ARG 449.A O no hydrogen 3.046 N/A LEU 460.A N ILE 447.A O no hydrogen 2.826 N/A PHE 461.A N ILE 447.A O no hydrogen 3.336 N/A SER 466.A N ASP 484.A OD1 no hydrogen 2.948 N/A SER 466.A OG ASP 484.A OD2 no hydrogen 3.309 N/A LYS 467.A N ASP 484.A OD1 no hydrogen 3.178 N/A LYS 467.A N ASP 484.A OD2 no hydrogen 3.076 N/A ILE 469.A N ALA 483.A O no hydrogen 3.110 N/A ALA 472.A N PHE 481.A O no hydrogen 2.940 N/A ASP 474.A N LYS 479.A O no hydrogen 3.220 N/A GLY 478.A N SER 475.A O no hydrogen 3.083 N/A LYS 479.A N ASP 474.A O no hydrogen 3.302 N/A LYS 479.A NZ ASP 494.A OD1 no hydrogen 3.246 N/A LEU 480.A N SER 493.A O no hydrogen 2.555 N/A PHE 481.A N ALA 472.A O no hydrogen 2.621 N/A TRP 482.A N GLU 491.A O no hydrogen 3.076 N/A TRP 482.A NE1 GLU 491.A OE1 no hydrogen 2.846 N/A ALA 483.A N ALA 470.A O no hydrogen 3.221 N/A ASP 484.A N ARG 489.A O no hydrogen 3.036 N/A SER 485.A N LYS 467.A O no hydrogen 3.217 N/A ASP 486.A N ASP 484.A OD2 no hydrogen 3.073 N/A LEU 487.A N ASP 484.A OD2 no hydrogen 3.343 N/A ILE 490.A N GLU 504.A O no hydrogen 2.836 N/A GLU 491.A N TRP 482.A O no hydrogen 2.787 N/A SER 492.A N ILE 501.A O no hydrogen 2.907 N/A SER 493.A N LEU 480.A O no hydrogen 2.907 N/A SER 493.A OG ASP 494.A O no hydrogen 3.092 N/A ASP 494.A N ALA 498.A O no hydrogen 2.887 N/A GLY 497.A N ASP 494.A O no hydrogen 2.693 N/A ASN 499.A ND2 ASP 494.A OD2 no hydrogen 2.751 N/A ARG 500.A NE GLU 491.A OE2 no hydrogen 3.022 N/A ARG 500.A NH1 SER 463.A O no hydrogen 3.016 N/A ARG 500.A NH2 SER 463.A O no hydrogen 3.000 N/A ARG 500.A NH2 GLY 464.A O no hydrogen 3.377 N/A ARG 500.A NH2 GLU 491.A OE1 no hydrogen 3.180 N/A ARG 500.A NH2 GLU 491.A OE2 no hydrogen 3.002 N/A ILE 501.A N SER 492.A O no hydrogen 2.840 N/A LEU 503.A N ILE 490.A O no hydrogen 2.770 N/A GLU 504.A N ILE 490.A O no hydrogen 3.229 N/A LEU 509.A N ASP 525.A OD2 no hydrogen 3.212 N/A GLN 510.A N ASP 525.A OD1 no hydrogen 2.806 N/A VAL 512.A N ILE 524.A O no hydrogen 3.259 N/A THR 515.A N TYR 522.A O no hydrogen 2.983 N/A PHE 517.A N TRP 520.A O no hydrogen 3.121 N/A ASN 519.A ND2 THR 537.A OG1 no hydrogen 2.787 N/A TRP 520.A N PHE 517.A O no hydrogen 2.996 N/A LEU 521.A N ILE 534.A O no hydrogen 2.879 N/A TYR 522.A N THR 515.A O no hydrogen 2.964 N/A TRP 523.A N GLU 532.A O no hydrogen 2.845 N/A ILE 524.A N GLY 513.A O no hydrogen 3.150 N/A ASP 525.A N MET 530.A O no hydrogen 2.826 N/A LYS 526.A N GLN 510.A O no hydrogen 2.968 N/A GLN 528.A N ASP 525.A OD1 no hydrogen 3.438 N/A GLN 528.A NE2 ASN 507.A O no hydrogen 3.323 N/A GLN 528.A NE2 ASP 525.A OD2 no hydrogen 2.699 N/A MET 530.A N ASP 525.A O no hydrogen 3.182 N/A ILE 531.A N GLN 546.A O no hydrogen 3.230 N/A GLU 532.A N TRP 523.A O no hydrogen 3.018 N/A LYS 533.A N THR 543.A O no hydrogen 3.165 N/A LYS 533.A NZ THR 543.A OG1 no hydrogen 2.900 N/A ILE 534.A N LEU 521.A O no hydrogen 3.029 N/A ASP 535.A N GLY 541.A O no hydrogen 3.143 N/A MET 536.A N ASN 519.A O no hydrogen 3.024 N/A THR 537.A N ASP 535.A OD1 no hydrogen 3.012 N/A THR 537.A OG1 ASP 535.A OD1 no hydrogen 3.033 N/A GLY 538.A N ASP 535.A O no hydrogen 3.270 N/A ARG 539.A N ASP 535.A OD2 no hydrogen 3.018 N/A GLU 540.A N ASP 535.A OD2 no hydrogen 3.082 N/A ARG 542.A NE GLU 532.A OE2 no hydrogen 2.876 N/A ARG 542.A NH1 SER 506.A O no hydrogen 3.057 N/A ARG 542.A NH2 ASN 507.A O no hydrogen 3.320 N/A ARG 542.A NH2 GLU 532.A OE1 no hydrogen 3.046 N/A ARG 542.A NH2 GLU 532.A OE2 no hydrogen 2.829 N/A THR 543.A N LYS 533.A O no hydrogen 3.322 N/A VAL 545.A N ILE 531.A O no hydrogen 2.704 N/A GLN 546.A N ILE 531.A O no hydrogen 3.337 N/A GLN 546.A NE2 ASP 327.A OD2 no hydrogen 2.744 N/A ILE 549.A N GLN 529.A O no hydrogen 2.923 N/A SER 553.A N SER 310.A O no hydrogen 2.887 N/A SER 553.A OG SER 310.A O no hydrogen 3.216 N/A SER 553.A OG SER 310.A OG no hydrogen 2.779 N/A SER 553.A OG VAL 338.A O no hydrogen 3.023 N/A ASP 554.A N SER 310.A O no hydrogen 3.442 N/A ILE 555.A N ASP 554.A OD1 no hydrogen 2.648 N/A HIS 556.A N LEU 308.A O no hydrogen 2.541 N/A ALA 557.A N THR 515.A OG1 no hydrogen 2.902 N/A VAL 558.A N PHE 306.A O no hydrogen 2.836 N/A GLU 560.A N THR 305.A OG1 no hydrogen 2.820 N/A GLU 565.A N ASN 562.A O no hydrogen 2.805 N/A TYR 566.A N ASN 562.A O no hydrogen 2.666 N/A TYR 566.A OH ILE 387.A O no hydrogen 3.033 N/A ARG 567.A N LEU 563.A O no hydrogen 3.050 N/A GLN 568.A N GLU 565.A O no hydrogen 3.339 N/A HIS 569.A N TYR 566.A O no hydrogen 3.109 N/A HIS 569.A NE2 PRO 430.A O no hydrogen 3.351 N/A CYS 571.A N HIS 569.A ND1 no hydrogen 2.984 N/A CYS 571.A SG SER 389.A OG no hydrogen 3.068 N/A CYS 571.A SG CYS 571.A O no hydrogen 2.920 N/A CYS 571.A SG ASN 575.A OD1 no hydrogen 3.494 N/A ALA 572.A N HIS 569.A O no hydrogen 3.064 N/A ASN 575.A ND2 CYS 578.A O no hydrogen 3.540 N/A ASN 575.A ND2 HIS 580.A O no hydrogen 3.109 N/A GLY 576.A N GLN 573.A O no hydrogen 2.936 N/A GLY 577.A N ASP 574.A O no hydrogen 2.799 N/A CYS 578.A N ASN 575.A O no hydrogen 3.064 N/A CYS 578.A SG GLY 576.A O no hydrogen 3.652 N/A SER 579.A N LEU 605.A O no hydrogen 3.075 N/A SER 579.A OG HIS 580.A ND1 no hydrogen 2.679 N/A ILE 581.A N SER 593.A O no hydrogen 3.060 N/A CYS 582.A N TYR 391.A OH no hydrogen 3.400 N/A LEU 583.A N ARG 591.A O no hydrogen 3.150 N/A LYS 585.A N THR 589.A O no hydrogen 2.794 N/A THR 589.A N ASP 587.A OD2 no hydrogen 3.054 N/A THR 589.A OG1 ASP 587.A OD2 no hydrogen 2.858 N/A ARG 591.A N LEU 583.A O no hydrogen 3.117 N/A ARG 591.A NH1 ASP 453.A OD2 no hydrogen 3.564 N/A ARG 591.A NH2 ASP 453.A OD2 no hydrogen 3.362 N/A CYS 592.A SG GLU 604.A O no hydrogen 3.634 N/A CYS 592.A SG LEU 605.A O no hydrogen 4.028 N/A SER 593.A N ILE 581.A O no hydrogen 2.697 N/A SER 593.A OG ASP 453.A OD2 no hydrogen 2.781 N/A CYS 594.A N SER 593.A OG no hydrogen 2.743 N/A MET 596.A N VAL 414.A O no hydrogen 2.925 N/A LEU 598.A N PRO 595.A O no hydrogen 3.111 N/A VAL 599.A N GLY 608.A O no hydrogen 2.897 N/A LEU 601.A N SER 606.A O no hydrogen 2.907 N/A GLU 604.A N LEU 601.A O no hydrogen 3.347 N/A LEU 605.A N ASP 603.A OD1 no hydrogen 3.011 N/A SER 606.A N ASP 603.A OD1 no hydrogen 2.889 N/A SER 606.A OG ASP 603.A OD2 no hydrogen 2.825 N/A CYS 607.A SG HIS 580.A ND1 no hydrogen 3.413 N/A CYS 607.A SG SER 593.A O no hydrogen 3.649 N/A GLY 608.A N VAL 599.A O no hydrogen 2.983 N/A GLU 609.A N GLU 609.A OE1 no hydrogen 2.596 N/A