Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8gzq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 TYR 179.A O no hydrogen 3.300 N/A LYS 6.A N THR 2.A O no hydrogen 3.213 N/A TRP 7.A N LEU 3.A O no hydrogen 2.900 N/A TRP 7.A NE1 TYR 22.A OH no hydrogen 2.585 N/A LYS 8.A N GLY 4.A O no hydrogen 2.846 N/A LYS 9.A N GLU 5.A O no hydrogen 2.914 N/A ARG 10.A N LYS 6.A O no hydrogen 2.905 N/A LEU 11.A N TRP 7.A O no hydrogen 2.818 N/A ASN 12.A N LYS 8.A O no hydrogen 2.920 N/A ASN 12.A ND2 PRO 146.A O no hydrogen 3.241 N/A GLN 13.A N LYS 9.A O no hydrogen 2.996 N/A GLN 13.A N ARG 10.A O no hydrogen 3.145 N/A LEU 14.A N LEU 11.A O no hydrogen 3.090 N/A PHE 19.A N SER 15.A O no hydrogen 2.603 N/A ASP 20.A N ARG 16.A O no hydrogen 2.861 N/A LEU 21.A N LYS 17.A O no hydrogen 2.926 N/A TYR 22.A N GLU 18.A O no hydrogen 2.868 N/A LYS 23.A N PHE 19.A O no hydrogen 2.964 N/A LYS 24.A N LEU 21.A O no hydrogen 2.881 N/A SER 25.A N ASN 206.A OD1 no hydrogen 2.749 N/A GLY 26.A N ARG 241.A O no hydrogen 3.357 N/A GLU 29.A N THR 244.A O no hydrogen 2.787 N/A ASP 31.A N GLU 246.A O no hydrogen 3.232 N/A THR 33.A N ASP 31.A OD1 no hydrogen 2.927 N/A THR 33.A OG1 ASP 31.A OD1 no hydrogen 2.705 N/A THR 33.A OG1 ASP 31.A OD2 no hydrogen 3.532 N/A LYS 36.A N ARG 32.A O no hydrogen 2.926 N/A GLU 37.A N THR 33.A O no hydrogen 2.886 N/A GLY 38.A N GLU 34.A O no hydrogen 2.869 N/A LEU 39.A N ALA 35.A O no hydrogen 2.913 N/A LYS 40.A N LYS 36.A O no hydrogen 2.886 N/A ARG 41.A N GLU 37.A O no hydrogen 2.866 N/A GLY 42.A N GLY 38.A O no hydrogen 2.950 N/A GLU 43.A N GLY 38.A O no hydrogen 2.937 N/A THR 45.A OG1 HIS 46.A ND1 no hydrogen 2.703 N/A HIS 46.A ND1 THR 45.A OG1 no hydrogen 2.703 N/A GLY 52.A N SER 50.A OG no hydrogen 2.808 N/A SER 53.A OG GLY 80.A O no hydrogen 3.191 N/A LYS 55.A N ARG 51.A O no hydrogen 3.479 N/A LEU 56.A N GLY 52.A O no hydrogen 2.908 N/A GLN 57.A N SER 53.A O no hydrogen 2.866 N/A TRP 58.A N ALA 54.A O no hydrogen 2.956 N/A VAL 60.A N LEU 56.A O no hydrogen 2.950 N/A GLU 61.A N GLN 57.A O no hydrogen 2.851 N/A ARG 62.A NH1 TRP 58.A O no hydrogen 3.401 N/A ASN 63.A N VAL 60.A O no hydrogen 2.901 N/A ILE 66.A N GLN 170.A OE1 no hydrogen 2.574 N/A GLU 68.A N THR 136.A OG1 no hydrogen 2.904 N/A GLY 69.A N LYS 90.A O no hydrogen 3.329 N/A ARG 70.A N ASP 135.A OD2 no hydrogen 2.862 N/A VAL 71.A N GLU 93.A O no hydrogen 2.911 N/A ILE 72.A N THR 136.A O no hydrogen 2.897 N/A ASP 73.A N ARG 95.A O no hydrogen 2.970 N/A LEU 74.A N LEU 138.A O no hydrogen 2.868 N/A CYS 76.A N TYR 97.A O no hydrogen 2.496 N/A CYS 76.A SG GLY 77.A O no hydrogen 3.794 N/A SER 82.A OG ASP 73.A OD2 no hydrogen 3.222 N/A TYR 83.A N GLY 79.A O no hydrogen 3.146 N/A TYR 84.A N GLY 80.A O no hydrogen 2.948 N/A CYS 85.A N TRP 81.A O no hydrogen 2.912 N/A ALA 86.A N SER 82.A O no hydrogen 2.910 N/A ALA 86.A N TYR 83.A O no hydrogen 3.082 N/A GLY 87.A N TYR 84.A O no hydrogen 3.420 N/A LYS 90.A NZ ASP 289.A O no hydrogen 3.372 N/A THR 92.A N GLY 69.A O no hydrogen 2.860 N/A VAL 94.A N ILE 117.A O no hydrogen 3.280 N/A ARG 95.A N VAL 71.A O no hydrogen 3.220 N/A GLY 96.A N LYS 119.A O no hydrogen 2.943 N/A TYR 97.A N ASP 73.A O no hydrogen 2.958 N/A THR 98.A N MET 121.A O no hydrogen 3.256 N/A GLY 100.A N THR 98.A OG1 no hydrogen 3.125 N/A HIS 104.A N GLY 101.A O no hydrogen 2.979 N/A SER 111.A N ILE 44.A O no hydrogen 2.794 N/A TYR 113.A N LEU 251.A O no hydrogen 2.743 N/A TRP 115.A N THR 112.A O no hydrogen 2.901 N/A ASN 116.A ND2 ARG 256.A O no hydrogen 2.621 N/A ILE 117.A N GLY 114.A O no hydrogen 3.424 N/A VAL 118.A N TRP 115.A O no hydrogen 3.025 N/A LYS 119.A N VAL 94.A O no hydrogen 2.930 N/A MET 121.A N GLY 96.A O no hydrogen 2.898 N/A LYS 124.A N THR 98.A O no hydrogen 3.030 N/A PHE 127.A N ASP 125.A OD1 no hydrogen 2.445 N/A THR 136.A N ARG 70.A O no hydrogen 2.925 N/A THR 136.A OG1 GLU 68.A O no hydrogen 3.027 N/A LEU 137.A N GLN 170.A O no hydrogen 2.906 N/A LEU 138.A N ILE 72.A O no hydrogen 2.947 N/A CYS 139.A N CYS 172.A O no hydrogen 2.943 N/A CYS 139.A SG LEU 138.A O no hydrogen 3.297 N/A SER 145.A N GLU 151.A OE1 no hydrogen 2.656 N/A SER 147.A N SER 145.A OG no hydrogen 2.870 N/A THR 149.A OG1 SER 147.A OG no hydrogen 2.929 N/A VAL 150.A N SER 147.A OG no hydrogen 3.231 N/A GLU 151.A N SER 147.A O no hydrogen 3.404 N/A GLU 152.A N PRO 148.A O no hydrogen 2.894 N/A SER 153.A N THR 149.A O no hydrogen 2.894 N/A SER 153.A OG THR 149.A O no hydrogen 2.996 N/A SER 153.A OG VAL 150.A O no hydrogen 2.591 N/A ARG 154.A N VAL 150.A O no hydrogen 2.904 N/A THR 155.A N GLU 151.A O no hydrogen 2.844 N/A THR 155.A OG1 GLU 151.A O no hydrogen 2.655 N/A ILE 156.A N GLU 152.A O no hydrogen 2.889 N/A ARG 157.A N SER 153.A O no hydrogen 2.922 N/A VAL 158.A N ARG 154.A O no hydrogen 2.889 N/A LEU 159.A N THR 155.A O no hydrogen 2.905 N/A LYS 160.A N ILE 156.A O no hydrogen 2.961 N/A MET 161.A N ARG 157.A O no hydrogen 2.876 N/A VAL 162.A N VAL 158.A O no hydrogen 2.907 N/A VAL 162.A N LEU 159.A O no hydrogen 3.226 N/A GLU 163.A N LEU 159.A O no hydrogen 2.963 N/A LEU 166.A N GLU 163.A O no hydrogen 3.173 N/A GLN 170.A NE2 ASN 216.A OD1 no hydrogen 2.954 N/A CYS 172.A N LEU 137.A O no hydrogen 2.905 N/A ILE 173.A N TRP 213.A O no hydrogen 2.937 N/A LYS 174.A N CYS 139.A O no hydrogen 2.866 N/A VAL 175.A N MET 211.A O no hydrogen 2.864 N/A ASN 177.A ND2 PRO 148.A O no hydrogen 3.316 N/A TYR 179.A N ASN 177.A OD1 no hydrogen 3.276 N/A ILE 184.A N MET 180.A O no hydrogen 2.851 N/A GLU 185.A N PRO 181.A O no hydrogen 2.876 N/A HIS 186.A N THR 182.A O no hydrogen 2.915 N/A LEU 187.A N VAL 183.A O no hydrogen 2.888 N/A GLU 188.A N ILE 184.A O no hydrogen 2.917 N/A ARG 189.A N GLU 185.A O no hydrogen 2.921 N/A LEU 190.A N HIS 186.A O no hydrogen 2.904 N/A GLN 191.A N LEU 187.A O no hydrogen 2.780 N/A ARG 192.A N GLU 188.A O no hydrogen 2.940 N/A LYS 193.A N ARG 189.A O no hydrogen 2.930 N/A HIS 194.A N LEU 190.A O no hydrogen 2.811 N/A HIS 194.A N GLN 191.A O no hydrogen 3.105 N/A GLY 195.A N GLN 191.A O no hydrogen 2.385 N/A MET 197.A N ILE 214.A O no hydrogen 2.969 N/A VAL 199.A N TYR 212.A O no hydrogen 2.902 N/A ARG 200.A NH2 ARG 205.A O no hydrogen 3.157 N/A ARG 200.A NH2 THR 208.A O no hydrogen 3.541 N/A ASN 201.A ND2 LYS 55.A O no hydrogen 2.969 N/A LEU 203.A N ASN 201.A OD1 no hydrogen 2.902 N/A SER 204.A N ASN 201.A O no hydrogen 3.069 N/A SER 204.A OG ASN 201.A O no hydrogen 2.466 N/A ASN 206.A N LYS 23.A O no hydrogen 3.166 N/A THR 208.A N ARG 205.A O no hydrogen 3.511 N/A GLU 210.A N THR 208.A OG1 no hydrogen 3.227 N/A MET 211.A N VAL 175.A O no hydrogen 2.887 N/A TYR 212.A N VAL 199.A O no hydrogen 2.836 N/A TYR 212.A OH GLU 210.A OE1 no hydrogen 2.774 N/A TRP 213.A N ILE 173.A O no hydrogen 2.920 N/A TRP 213.A NE1 GLY 195.A O no hydrogen 3.145 N/A ILE 214.A N MET 197.A O no hydrogen 2.915 N/A SER 215.A N PHE 171.A O no hydrogen 3.055 N/A SER 215.A OG ASN 216.A OD1 no hydrogen 2.957 N/A ASN 216.A N MET 64.A O no hydrogen 3.130 N/A SER 223.A OG ASN 220.A O no hydrogen 3.183 N/A SER 224.A N ASN 220.A O no hydrogen 3.327 N/A VAL 225.A N ILE 221.A O no hydrogen 2.946 N/A ASN 226.A N VAL 222.A O no hydrogen 2.920 N/A MET 227.A N SER 223.A O no hydrogen 2.848 N/A VAL 228.A N SER 224.A O no hydrogen 2.922 N/A SER 229.A N VAL 225.A O no hydrogen 2.939 N/A ARG 230.A N ASN 226.A O no hydrogen 2.855 N/A LEU 231.A N MET 227.A O no hydrogen 2.892 N/A LEU 232.A N VAL 228.A O no hydrogen 2.937 N/A LEU 233.A N SER 229.A O no hydrogen 2.929 N/A ASN 234.A N ARG 230.A O no hydrogen 2.885 N/A ARG 235.A N LEU 232.A O no hydrogen 2.879 N/A PHE 236.A N LEU 233.A O no hydrogen 3.108 N/A GLU 246.A N GLU 29.A O no hydrogen 3.063 N/A ARG 256.A NH2 LEU 88.A O no hydrogen 2.542 N/A ARG 256.A NH2 LYS 89.A O no hydrogen 3.176 N/A GLU 261.A N VAL 258.A O no hydrogen 2.874 N/A VAL 269.A N ASN 266.A O no hydrogen 2.596 N/A ILE 270.A N ASN 266.A O no hydrogen 3.436 N/A ARG 273.A NH1 CYS 427.A O no hydrogen 3.278 N/A ARG 273.A NH1 LEU 532.A O no hydrogen 3.551 N/A ARG 273.A NH2 VAL 269.A O no hydrogen 2.955 N/A ILE 274.A N ILE 270.A O no hydrogen 2.980 N/A ARG 275.A N GLY 271.A O no hydrogen 2.815 N/A ARG 276.A N GLU 272.A O no hydrogen 2.864 N/A ILE 277.A N ARG 273.A O no hydrogen 2.975 N/A LYS 278.A N ILE 274.A O no hydrogen 2.910 N/A GLU 279.A N ARG 275.A O no hydrogen 2.844 N/A GLU 280.A N ARG 276.A O no hydrogen 2.918 N/A HIS 281.A N ILE 277.A O no hydrogen 3.295 N/A HIS 286.A N THR 284.A O no hydrogen 2.619 N/A HIS 286.A ND1 THR 284.A O no hydrogen 2.549 N/A TYR 293.A N ASN 291.A O no hydrogen 3.143 N/A TYR 293.A OH ASP 552.A OD2 no hydrogen 2.572 N/A LYS 294.A NZ GLY 87.A O no hydrogen 2.416 N/A THR 295.A OG1 THR 349.A O no hydrogen 3.171 N/A ALA 297.A N SER 555.A O no hydrogen 3.158 N/A HIS 299.A N ILE 553.A O no hydrogen 3.144 N/A HIS 299.A NE2 SER 555.A OG no hydrogen 2.735 N/A SER 301.A OG HIS 286.A O no hydrogen 2.884 N/A TYR 302.A N MET 551.A O no hydrogen 2.934 N/A GLU 303.A N THR 284.A OG1 no hydrogen 3.107 N/A VAL 304.A N THR 549.A O no hydrogen 3.168 N/A ASN 310.A N ARG 701.A O no hydrogen 3.082 N/A ASN 310.A ND2 THR 713.A O no hydrogen 2.441 N/A VAL 313.A N ASN 310.A OD1 no hydrogen 3.222 N/A LYS 314.A N ASN 310.A O no hydrogen 2.916 N/A LEU 315.A N GLY 311.A O no hydrogen 2.828 N/A LEU 316.A N VAL 313.A O no hydrogen 2.771 N/A THR 317.A OG1 VAL 313.A O no hydrogen 3.200 N/A TRP 320.A N THR 317.A O no hydrogen 3.287 N/A ASP 321.A N LYS 318.A O no hydrogen 2.947 N/A THR 327.A N VAL 323.A O no hydrogen 3.350 N/A GLN 328.A N PRO 324.A O no hydrogen 2.857 N/A MET 329.A N THR 325.A O no hydrogen 2.920 N/A ALA 330.A N THR 327.A O no hydrogen 2.826 N/A MET 331.A N THR 327.A O no hydrogen 3.232 N/A THR 332.A N ALA 330.A O no hydrogen 2.871 N/A THR 332.A OG1 MET 329.A O no hydrogen 3.357 N/A GLN 339.A N THR 335.A O no hydrogen 3.004 N/A GLN 339.A NE2 MET 432.A O no hydrogen 3.577 N/A GLN 340.A N PRO 336.A O no hydrogen 2.856 N/A GLN 340.A NE2 TYR 293.A OH no hydrogen 3.314 N/A GLN 340.A NE2 GLN 542.A O no hydrogen 3.373 N/A ARG 341.A N PHE 337.A O no hydrogen 2.938 N/A ARG 341.A NE GLU 61.A OE1 no hydrogen 2.847 N/A ARG 341.A NE GLU 61.A OE2 no hydrogen 3.086 N/A ARG 341.A NH1 GLU 246.A OE1 no hydrogen 3.447 N/A ARG 341.A NH2 GLU 61.A OE1 no hydrogen 2.790 N/A VAL 342.A N GLY 338.A O no hydrogen 2.890 N/A PHE 343.A N GLN 339.A O no hydrogen 2.877 N/A LYS 344.A N GLN 340.A O no hydrogen 2.875 N/A GLU 345.A N ARG 341.A O no hydrogen 2.949 N/A VAL 347.A N PHE 343.A O no hydrogen 3.103 N/A ASP 348.A N PHE 343.A O no hydrogen 3.175 N/A ARG 350.A NH1 THR 295.A O no hydrogen 3.242 N/A MET 355.A N ASP 645.A OD1 no hydrogen 3.190 N/A MET 355.A N ASP 645.A OD2 no hydrogen 3.370 N/A THR 358.A OG1 ASP 645.A OD1 no hydrogen 2.935 N/A ARG 359.A N MET 355.A O no hydrogen 3.092 N/A LYS 360.A N PRO 356.A O no hydrogen 2.912 N/A VAL 361.A N GLY 357.A O no hydrogen 2.924 N/A MET 362.A N THR 358.A O no hydrogen 2.849 N/A GLU 363.A N ARG 359.A O no hydrogen 2.909 N/A ILE 364.A N LYS 360.A O no hydrogen 2.939 N/A THR 365.A N VAL 361.A O no hydrogen 2.887 N/A THR 365.A OG1 VAL 361.A O no hydrogen 2.965 N/A ALA 366.A N MET 362.A O no hydrogen 2.837 N/A GLY 367.A N GLU 363.A O no hydrogen 3.018 N/A TRP 368.A N ILE 364.A O no hydrogen 2.981 N/A LEU 369.A N THR 365.A O no hydrogen 2.826 N/A TRP 370.A N ALA 366.A O no hydrogen 2.896 N/A ARG 371.A N GLY 367.A O no hydrogen 2.998 N/A THR 372.A N TRP 368.A O no hydrogen 2.915 N/A THR 372.A OG1 TRP 368.A O no hydrogen 3.409 N/A LEU 373.A N LEU 369.A O no hydrogen 2.872 N/A GLY 374.A N TRP 370.A O no hydrogen 3.168 N/A GLY 374.A N ARG 371.A O no hydrogen 3.297 N/A ARG 375.A N THR 372.A O no hydrogen 2.786 N/A ARG 375.A NH1 ASN 463.A O no hydrogen 2.352 N/A ARG 375.A NH2 GLU 462.A O no hydrogen 3.362 N/A ARG 375.A NH2 ASN 463.A O no hydrogen 3.197 N/A ARG 380.A NE ASP 456.A OD2 no hydrogen 3.320 N/A ARG 380.A NH1 LEU 381.A O no hydrogen 3.522 N/A ARG 380.A NH2 ASP 456.A OD1 no hydrogen 2.590 N/A CYS 382.A N GLU 448.A O no hydrogen 2.868 N/A CYS 382.A SG PHE 447.A O no hydrogen 3.472 N/A GLU 386.A N THR 383.A OG1 no hydrogen 3.409 N/A PHE 387.A N THR 383.A O no hydrogen 3.266 N/A THR 388.A N ARG 384.A O no hydrogen 2.879 N/A THR 388.A OG1 ARG 384.A O no hydrogen 3.522 N/A LYS 389.A N GLU 385.A O no hydrogen 2.897 N/A LYS 390.A N GLU 386.A O no hydrogen 2.887 N/A VAL 391.A N PHE 387.A O no hydrogen 2.925 N/A ARG 392.A N THR 388.A O no hydrogen 2.856 N/A ARG 392.A NE THR 388.A O no hydrogen 3.467 N/A THR 393.A N LYS 389.A O no hydrogen 3.017 N/A THR 393.A OG1 LYS 389.A O no hydrogen 3.028 N/A ASN 394.A N VAL 391.A O no hydrogen 2.943 N/A SER 398.A OG GLN 395.A O no hydrogen 2.894 N/A ALA 399.A N GLN 395.A O no hydrogen 2.833 N/A ARG 400.A N TRP 396.A O no hydrogen 2.887 N/A ARG 400.A NE ASN 394.A OD1 no hydrogen 3.503 N/A ALA 401.A N ASP 397.A O no hydrogen 2.936 N/A ALA 402.A N SER 398.A O no hydrogen 2.841 N/A VAL 403.A N ALA 399.A O no hydrogen 2.901 N/A GLU 404.A N ARG 400.A O no hydrogen 2.893 N/A ASP 405.A N ALA 402.A O no hydrogen 3.087 N/A TRP 409.A N GLU 406.A O no hydrogen 2.610 N/A TRP 409.A NE1 VAL 403.A O no hydrogen 2.723 N/A LYS 410.A N GLU 406.A O no hydrogen 3.382 N/A LEU 411.A N GLU 407.A O no hydrogen 2.940 N/A VAL 412.A N PHE 408.A O no hydrogen 2.872 N/A ASP 413.A N TRP 409.A O no hydrogen 2.890 N/A ARG 414.A N LYS 410.A O no hydrogen 2.948 N/A GLU 415.A N LEU 411.A O no hydrogen 2.992 N/A ARG 416.A N VAL 412.A O no hydrogen 2.794 N/A GLU 417.A N ASP 413.A O no hydrogen 2.944 N/A LEU 418.A N ARG 414.A O no hydrogen 2.998 N/A HIS 419.A N GLU 415.A O no hydrogen 2.877 N/A LYS 420.A N ARG 416.A O no hydrogen 2.874 N/A GLN 421.A N GLU 417.A O no hydrogen 2.921 N/A GLY 422.A N LEU 418.A O no hydrogen 2.783 N/A LYS 423.A N LEU 418.A O no hydrogen 3.074 N/A LYS 423.A NZ GLN 421.A OE1 no hydrogen 3.330 N/A CYS 424.A SG GLU 415.A OE2 no hydrogen 3.703 N/A CYS 424.A SG CYS 427.A O no hydrogen 3.967 N/A GLY 425.A N GLU 415.A OE2 no hydrogen 2.719 N/A SER 426.A N GLU 415.A OE2 no hydrogen 3.508 N/A SER 426.A OG GLU 415.A OE1 no hydrogen 3.505 N/A CYS 427.A SG GLU 415.A OE2 no hydrogen 3.547 N/A CYS 427.A SG HIS 419.A NE2 no hydrogen 3.137 N/A MET 431.A N LYS 540.A O no hydrogen 3.464 N/A TYR 437.A N ARG 433.A O no hydrogen 2.774 N/A MET 438.A N ALA 434.A O no hydrogen 3.007 N/A TRP 439.A N ILE 435.A O no hydrogen 2.968 N/A LEU 440.A N TRP 436.A O no hydrogen 2.977 N/A GLY 441.A N TYR 437.A O no hydrogen 2.841 N/A ALA 442.A N MET 438.A O no hydrogen 2.973 N/A ARG 443.A N TRP 439.A O no hydrogen 3.059 N/A ARG 443.A NH2 GLU 446.A OE1 no hydrogen 3.448 N/A TYR 444.A N LEU 440.A O no hydrogen 2.894 N/A LEU 445.A N GLY 441.A O no hydrogen 2.885 N/A GLU 446.A N ALA 442.A O no hydrogen 3.025 N/A PHE 447.A N ARG 443.A O no hydrogen 2.925 N/A GLU 448.A N TYR 444.A O no hydrogen 2.818 N/A ALA 449.A N LEU 445.A O no hydrogen 2.988 N/A LEU 450.A N GLU 446.A O no hydrogen 2.838 N/A ASN 454.A N GLY 451.A O no hydrogen 2.855 N/A GLU 455.A N GLY 451.A O no hydrogen 2.848 N/A ASP 456.A N PHE 452.A O no hydrogen 3.267 N/A HIS 457.A N ASN 454.A O no hydrogen 2.934 N/A HIS 457.A ND1 GLU 469.A OE1 no hydrogen 2.968 N/A TRP 458.A N LEU 453.A O no hydrogen 3.042 N/A SER 460.A OG HIS 457.A O no hydrogen 3.084 N/A ARG 461.A NH1 SER 466.A O no hydrogen 2.909 N/A ARG 461.A NH1 MET 620.A O no hydrogen 2.578 N/A ARG 461.A NH2 MET 620.A O no hydrogen 3.509 N/A ASN 463.A N SER 460.A O no hydrogen 2.718 N/A ASN 463.A ND2 HIS 457.A O no hydrogen 3.696 N/A SER 464.A N SER 460.A O no hydrogen 2.866 N/A SER 464.A OG PHE 459.A O no hydrogen 2.947 N/A SER 464.A OG SER 460.A O no hydrogen 3.256 N/A TYR 465.A N ARG 461.A O no hydrogen 3.237 N/A SER 466.A OG LEU 617.A O no hydrogen 2.528 N/A GLY 467.A N SER 464.A OG no hydrogen 2.834 N/A LYS 475.A N GLY 472.A O no hydrogen 3.183 N/A LEU 476.A N LEU 473.A O no hydrogen 3.200 N/A ILE 479.A N LYS 475.A O no hydrogen 3.008 N/A LEU 480.A N LEU 476.A O no hydrogen 2.870 N/A ARG 481.A N GLY 477.A O no hydrogen 2.925 N/A ASP 482.A N TYR 478.A O no hydrogen 2.941 N/A ILE 483.A N ILE 479.A O no hydrogen 2.955 N/A SER 484.A N LEU 480.A O no hydrogen 2.901 N/A LYS 485.A N ARG 481.A O no hydrogen 3.003 N/A LYS 485.A N ASP 482.A O no hydrogen 3.334 N/A ILE 486.A N ILE 483.A O no hydrogen 2.937 N/A GLY 489.A N PRO 631.A O no hydrogen 3.018 N/A ALA 490.A N ASP 634.A OD1 no hydrogen 3.263 N/A MET 491.A N TRP 662.A O no hydrogen 2.789 N/A TYR 492.A N VAL 629.A O no hydrogen 3.030 N/A TYR 492.A OH ASP 634.A OD1 no hydrogen 3.101 N/A ALA 497.A N VAL 649.A O no hydrogen 3.087 N/A TRP 499.A NE1 ASN 571.A OD1 no hydrogen 2.480 N/A THR 501.A OG1 GLY 498.A O no hydrogen 2.915 N/A ARG 502.A N TRP 499.A O no hydrogen 2.653 N/A THR 504.A OG1 ASP 507.A OD2 no hydrogen 2.443 N/A LEU 508.A N THR 504.A O no hydrogen 3.388 N/A HIS 509.A N GLU 505.A O no hydrogen 2.946 N/A ASN 510.A N ASP 506.A O no hydrogen 2.942 N/A GLU 511.A N ASP 507.A O no hydrogen 2.861 N/A GLU 512.A N LEU 508.A O no hydrogen 2.836 N/A LYS 513.A N ASN 510.A O no hydrogen 2.777 N/A ILE 514.A N GLU 511.A O no hydrogen 3.510 N/A THR 515.A N GLU 512.A O no hydrogen 2.840 N/A THR 515.A OG1 GLU 512.A O no hydrogen 3.267 N/A GLN 516.A N LYS 513.A O no hydrogen 3.050 N/A GLN 517.A N ILE 514.A O no hydrogen 3.138 N/A GLN 517.A NE2 TRP 370.A O no hydrogen 3.348 N/A HIS 522.A NE2 ALA 449.A O no hydrogen 2.645 N/A ARG 523.A N ASP 519.A O no hydrogen 2.848 N/A ARG 523.A NH2 MET 518.A O no hydrogen 3.111 N/A GLN 524.A N PRO 520.A O no hydrogen 2.885 N/A ALA 526.A N HIS 522.A O no hydrogen 2.915 N/A ASN 527.A N ARG 523.A O no hydrogen 2.828 N/A ALA 528.A N GLN 524.A O no hydrogen 2.899 N/A ILE 529.A N LEU 525.A O no hydrogen 2.910 N/A PHE 530.A N ALA 526.A O no hydrogen 2.876 N/A LYS 531.A N ASN 527.A O no hydrogen 2.855 N/A LEU 532.A N ALA 528.A O no hydrogen 2.856 N/A THR 533.A N ILE 529.A O no hydrogen 2.900 N/A TYR 534.A N ILE 529.A O no hydrogen 3.113 N/A TYR 534.A OH GLU 446.A OE2 no hydrogen 2.976 N/A GLN 535.A N PHE 530.A O no hydrogen 2.958 N/A GLN 535.A NE2 HIS 509.A ND1 no hydrogen 3.144 N/A LYS 537.A N ARG 556.A O no hydrogen 2.915 N/A VAL 539.A N ILE 554.A O no hydrogen 2.877 N/A VAL 541.A N ASP 552.A O no hydrogen 2.991 N/A ARG 543.A N VAL 550.A O no hydrogen 2.920 N/A ARG 543.A NE ASP 552.A OD2 no hydrogen 2.471 N/A ARG 543.A NH2 ASP 552.A OD1 no hydrogen 3.549 N/A ARG 543.A NH2 ASP 552.A OD2 no hydrogen 3.150 N/A THR 545.A N GLY 548.A O no hydrogen 2.897 N/A THR 545.A OG1 GLY 548.A O no hydrogen 3.071 N/A GLY 548.A N THR 545.A O no hydrogen 2.932 N/A THR 549.A OG1 VAL 304.A O no hydrogen 2.796 N/A THR 549.A OG1 LYS 305.A O no hydrogen 2.753 N/A VAL 550.A N ARG 543.A O no hydrogen 2.905 N/A MET 551.A N TYR 302.A O no hydrogen 2.903 N/A ASP 552.A N VAL 541.A O no hydrogen 2.799 N/A ILE 553.A N GLY 300.A O no hydrogen 2.972 N/A ILE 554.A N VAL 539.A O no hydrogen 2.949 N/A SER 555.A N ALA 297.A O no hydrogen 3.146 N/A SER 555.A OG HIS 299.A NE2 no hydrogen 2.735 N/A ARG 556.A N LYS 537.A O no hydrogen 2.963 N/A ARG 556.A NH2 THR 295.A O no hydrogen 3.286 N/A GLN 559.A N ILE 503.A O no hydrogen 3.285 N/A GLN 559.A NE2 VAL 347.A O no hydrogen 3.259 N/A GLN 559.A NE2 THR 501.A O no hydrogen 3.312 N/A SER 562.A OG ASP 500.A OD2 no hydrogen 3.562 N/A GLN 564.A N GLY 561.A O no hydrogen 3.099 N/A GLN 564.A NE2 THR 533.A O no hydrogen 3.230 N/A THR 567.A N GLN 564.A O no hydrogen 3.239 N/A THR 567.A OG1 GLN 564.A O no hydrogen 2.242 N/A TYR 568.A OH SER 623.A OG no hydrogen 2.973 N/A LEU 570.A N GLY 566.A O no hydrogen 3.173 N/A ASN 571.A N THR 567.A O no hydrogen 2.856 N/A ASN 571.A ND2 ASP 500.A OD1 no hydrogen 3.261 N/A THR 572.A N TYR 568.A O no hydrogen 2.958 N/A THR 572.A OG1 TYR 568.A O no hydrogen 3.268 N/A PHE 573.A N GLY 569.A O no hydrogen 2.947 N/A THR 574.A N LEU 570.A O no hydrogen 2.894 N/A ASN 575.A N ASN 571.A O no hydrogen 2.890 N/A ASN 575.A ND2 GLY 624.A O no hydrogen 3.025 N/A MET 576.A N THR 572.A O no hydrogen 2.871 N/A GLU 577.A N PHE 573.A O no hydrogen 3.025 N/A ALA 578.A N THR 574.A O no hydrogen 2.932 N/A GLN 579.A N ASN 575.A O no hydrogen 2.927 N/A GLN 579.A NE2 ASN 575.A OD1 no hydrogen 3.379 N/A LEU 580.A N MET 576.A O no hydrogen 2.915 N/A ILE 581.A N GLU 577.A O no hydrogen 2.964 N/A ARG 582.A N ALA 578.A O no hydrogen 2.954 N/A ARG 582.A NE PHE 636.A O no hydrogen 3.544 N/A ARG 582.A NH1 ASP 494.A OD2 no hydrogen 3.455 N/A ARG 582.A NH2 PHE 636.A O no hydrogen 3.426 N/A ARG 582.A NH2 SER 659.A OG no hydrogen 2.713 N/A GLN 583.A N GLN 579.A O no hydrogen 2.883 N/A MET 584.A N LEU 580.A O no hydrogen 2.903 N/A GLU 585.A N ILE 581.A O no hydrogen 2.949 N/A GLY 586.A N ARG 582.A O no hydrogen 2.938 N/A GLU 587.A N GLN 583.A O no hydrogen 2.879 N/A GLY 588.A N GLU 585.A O no hydrogen 2.948 N/A SER 591.A N ASP 594.A OD2 no hydrogen 2.792 N/A ASP 594.A N SER 591.A OG no hydrogen 3.071 N/A LEU 595.A N SER 591.A O no hydrogen 3.220 N/A GLU 596.A N LYS 592.A O no hydrogen 2.918 N/A ASN 597.A N THR 593.A O no hydrogen 3.148 N/A THR 606.A N GLU 602.A O no hydrogen 2.880 N/A THR 606.A OG1 GLU 602.A O no hydrogen 3.349 N/A GLN 607.A N LYS 603.A O no hydrogen 2.861 N/A TRP 608.A N LYS 604.A O no hydrogen 2.942 N/A TRP 608.A NE1 GLU 587.A OE1 no hydrogen 3.240 N/A LEU 609.A N ILE 605.A O no hydrogen 2.877 N/A GLU 610.A N THR 606.A O no hydrogen 2.890 N/A THR 611.A N GLN 607.A O no hydrogen 2.947 N/A THR 611.A OG1 GLN 607.A O no hydrogen 2.701 N/A THR 611.A OG1 TRP 608.A O no hydrogen 2.803 N/A LYS 612.A N TRP 608.A O no hydrogen 2.907 N/A GLY 613.A N LEU 609.A O no hydrogen 2.803 N/A ARG 616.A N LYS 612.A O no hydrogen 2.902 N/A ARG 616.A NE GLU 587.A OE2 no hydrogen 2.378 N/A ARG 616.A NH2 GLU 587.A OE1 no hydrogen 2.961 N/A ARG 616.A NH2 GLU 587.A OE2 no hydrogen 2.768 N/A LEU 617.A N GLY 613.A O no hydrogen 2.801 N/A LYS 618.A N VAL 614.A O no hydrogen 2.937 N/A ARG 619.A N ARG 616.A O no hydrogen 2.838 N/A ARG 619.A NH1 PRO 487.A O no hydrogen 2.584 N/A ARG 619.A NH2 PRO 487.A O no hydrogen 3.513 N/A MET 620.A N LEU 617.A O no hydrogen 3.075 N/A ALA 621.A N VAL 628.A O no hydrogen 2.887 N/A ILE 622.A N SER 466.A O no hydrogen 3.344 N/A SER 623.A N ASP 626.A O no hydrogen 2.912 N/A SER 623.A OG TYR 568.A OH no hydrogen 2.973 N/A SER 623.A OG HIS 760.A NE2 no hydrogen 2.828 N/A GLY 624.A N THR 572.A OG1 no hydrogen 3.157 N/A ASP 626.A N SER 623.A O no hydrogen 2.886 N/A CYS 627.A SG ASP 494.A O no hydrogen 3.178 N/A VAL 628.A N ALA 621.A O no hydrogen 2.887 N/A VAL 629.A N TYR 492.A O no hydrogen 2.943 N/A LYS 630.A N ARG 619.A O no hydrogen 3.100 N/A LYS 630.A NZ ILE 486.A O no hydrogen 3.306 N/A LYS 630.A NZ GLY 489.A O no hydrogen 2.645 N/A PHE 636.A N ASP 633.A O no hydrogen 3.309 N/A ALA 637.A N ASP 634.A O no hydrogen 2.919 N/A ASN 638.A N ARG 635.A O no hydrogen 2.882 N/A ALA 639.A N PHE 636.A O no hydrogen 3.303 N/A LEU 640.A N ASN 638.A O no hydrogen 2.621 N/A ASN 644.A N LEU 640.A O no hydrogen 2.971 N/A ASN 644.A ND2 GLN 655.A O no hydrogen 2.930 N/A ASP 645.A N LEU 641.A O no hydrogen 2.921 N/A MET 646.A N ALA 642.A O no hydrogen 2.869 N/A GLY 647.A N ASN 644.A O no hydrogen 2.699 N/A LYS 648.A N LEU 643.A O no hydrogen 3.362 N/A LYS 648.A NZ ASP 507.A OD1 no hydrogen 2.786 N/A LYS 648.A NZ MET 646.A O no hydrogen 3.545 N/A ARG 650.A NH1 GLN 657.A O no hydrogen 3.130 N/A ARG 650.A NH2 GLN 657.A O no hydrogen 3.415 N/A GLN 657.A N PRO 654.A O no hydrogen 3.194 N/A SER 659.A N ALA 637.A O no hydrogen 3.266 N/A SER 659.A OG ASP 494.A OD2 no hydrogen 2.764 N/A GLN 666.A N ASP 664.A OD1 no hydrogen 3.039 N/A GLN 667.A N ASP 664.A O no hydrogen 3.045 N/A PHE 670.A N HIS 673.A O no hydrogen 2.714 N/A CYS 671.A SG ASP 626.A OD2 no hydrogen 3.772 N/A SER 672.A OG CYS 671.A O no hydrogen 2.355 N/A HIS 673.A N PHE 670.A O no hydrogen 2.900 N/A HIS 673.A ND1 CYS 671.A O no hydrogen 2.654 N/A HIS 673.A NE2 TYR 728.A OH no hydrogen 2.828 N/A HIS 674.A N CYS 690.A O no hydrogen 2.913 N/A HIS 676.A N VAL 688.A O no hydrogen 2.910 N/A GLU 677.A N GLN 666.A OE1 no hydrogen 2.556 N/A LEU 678.A N LEU 686.A O no hydrogen 2.818 N/A MET 680.A N ARG 684.A O no hydrogen 2.776 N/A GLY 683.A N MET 680.A O no hydrogen 2.932 N/A ARG 684.A NH1 THR 790.A O no hydrogen 3.052 N/A ARG 684.A NH2 THR 790.A O no hydrogen 2.643 N/A LEU 686.A N LEU 678.A O no hydrogen 2.860 N/A VAL 688.A N HIS 676.A O no hydrogen 2.880 N/A CYS 690.A N HIS 674.A O no hydrogen 2.870 N/A CYS 690.A SG HIS 674.A NE2 no hydrogen 2.778 N/A CYS 690.A SG HIS 676.A NE2 no hydrogen 3.435 N/A ARG 691.A NE GLU 695.A OE1 no hydrogen 3.246 N/A ARG 691.A NH2 GLU 695.A OE1 no hydrogen 3.157 N/A GLU 695.A N PRO 692.A O no hydrogen 2.937 N/A ILE 697.A N GLN 693.A O no hydrogen 2.821 N/A GLY 698.A N ASP 694.A O no hydrogen 2.893 N/A ARG 699.A N GLU 695.A O no hydrogen 2.881 N/A ALA 700.A N LEU 696.A O no hydrogen 3.015 N/A ALA 700.A N ILE 697.A O no hydrogen 3.038 N/A ARG 701.A N GLY 698.A O no hydrogen 2.752 N/A ARG 701.A NH1 THR 317.A OG1 no hydrogen 2.929 N/A ARG 701.A NH2 ASP 321.A OD1 no hydrogen 3.358 N/A SER 703.A N MET 308.A O no hydrogen 2.545 N/A SER 703.A OG MET 308.A O no hydrogen 2.962 N/A SER 709.A OG GLU 712.A OE1 no hydrogen 3.325 N/A THR 713.A N SER 709.A O no hydrogen 2.763 N/A THR 713.A OG1 SER 709.A O no hydrogen 3.248 N/A THR 713.A OG1 LEU 710.A O no hydrogen 3.014 N/A ALA 714.A N LEU 710.A O no hydrogen 2.887 N/A LEU 716.A N GLU 712.A O no hydrogen 2.923 N/A GLY 717.A N THR 713.A O no hydrogen 2.956 N/A LYS 718.A N ALA 714.A O no hydrogen 2.897 N/A ALA 719.A N CYS 715.A O no hydrogen 2.917 N/A TYR 720.A N LEU 716.A O no hydrogen 2.915 N/A TYR 720.A OH THR 755.A O no hydrogen 2.858 N/A ALA 721.A N GLY 717.A O no hydrogen 2.903 N/A GLN 722.A N LYS 718.A O no hydrogen 2.915 N/A GLN 722.A NE2 THR 767.A O no hydrogen 3.560 N/A MET 723.A N ALA 719.A O no hydrogen 2.966 N/A TRP 724.A N TYR 720.A O no hydrogen 2.901 N/A ALA 725.A N ALA 721.A O no hydrogen 2.847 N/A LEU 726.A N MET 723.A O no hydrogen 3.113 N/A MET 727.A N MET 723.A O no hydrogen 2.865 N/A TYR 728.A N TRP 724.A O no hydrogen 2.969 N/A ARG 731.A N TYR 728.A O no hydrogen 3.025 N/A ARG 731.A NE ASP 806.A OD1 no hydrogen 2.627 N/A ARG 731.A NH1 ARG 691.A O no hydrogen 3.565 N/A ARG 731.A NH2 CYS 809.A O no hydrogen 2.553 N/A ARG 732.A N ASP 806.A OD2 no hydrogen 3.397 N/A ARG 735.A N ARG 731.A O no hydrogen 2.942 N/A ARG 735.A NE PHE 729.A O no hydrogen 3.461 N/A ARG 735.A NH1 TRP 795.A O no hydrogen 3.208 N/A ARG 735.A NH2 VAL 798.A O no hydrogen 3.370 N/A LEU 736.A N ARG 732.A O no hydrogen 2.943 N/A ALA 737.A N ASP 733.A O no hydrogen 2.891 N/A SER 738.A N LEU 734.A O no hydrogen 2.833 N/A SER 738.A OG LEU 734.A O no hydrogen 2.932 N/A SER 738.A OG ARG 735.A O no hydrogen 2.501 N/A ASN 739.A N ARG 735.A O no hydrogen 2.912 N/A ALA 740.A N LEU 736.A O no hydrogen 2.953 N/A ILE 741.A N ALA 737.A O no hydrogen 2.899 N/A CYS 742.A N SER 738.A O no hydrogen 2.877 N/A CYS 742.A SG SER 738.A O no hydrogen 3.207 N/A SER 743.A N ASN 739.A O no hydrogen 2.939 N/A ALA 744.A N ILE 741.A O no hydrogen 2.617 N/A TRP 749.A N PRO 746.A O no hydrogen 3.440 N/A SER 758.A N THR 756.A OG1 no hydrogen 3.137 N/A HIS 760.A N SER 758.A OG no hydrogen 2.727 N/A HIS 760.A NE2 SER 623.A OG no hydrogen 2.828 N/A THR 768.A OG1 THR 768.A O no hydrogen 2.596 N/A GLU 769.A N THR 767.A OG1 no hydrogen 3.408 N/A THR 773.A OG1 ASP 770.A O no hydrogen 2.895 N/A TRP 775.A N MET 771.A O no hydrogen 2.788 N/A ASN 776.A N LEU 772.A O no hydrogen 2.955 N/A ASN 776.A ND2 LEU 772.A O no hydrogen 3.038 N/A ASN 776.A ND2 VAL 792.A O no hydrogen 3.192 N/A ARG 777.A N THR 773.A O no hydrogen 2.902 N/A VAL 778.A N VAL 774.A O no hydrogen 2.814 N/A TRP 779.A N TRP 775.A O no hydrogen 2.948 N/A TRP 779.A NE1 LEU 726.A O no hydrogen 3.229 N/A ILE 780.A N ASN 776.A O no hydrogen 2.796 N/A GLU 781.A N ASN 776.A O no hydrogen 2.939 N/A ASP 782.A N ARG 777.A O no hydrogen 3.301 N/A ASN 783.A ND2 TYR 478.A OH no hydrogen 2.777 N/A ASN 783.A ND2 TRP 779.A O no hydrogen 3.540 N/A TRP 785.A N ASN 783.A OD1 no hydrogen 2.890 N/A MET 786.A N ASN 783.A O no hydrogen 2.874 N/A LYS 789.A NZ ILE 780.A O no hydrogen 3.300 N/A LYS 789.A NZ GLU 781.A O no hydrogen 2.604 N/A LYS 789.A NZ ASN 783.A O no hydrogen 2.974 N/A LYS 789.A NZ MET 786.A O no hydrogen 3.322 N/A THR 790.A N ASP 788.A OD1 no hydrogen 3.276 N/A THR 790.A OG1 ASP 788.A OD1 no hydrogen 2.853 N/A VAL 792.A N ASN 776.A OD1 no hydrogen 2.840 N/A GLU 796.A N THR 794.A O no hydrogen 2.454 N/A ASP 797.A N THR 794.A O no hydrogen 3.355 N/A LEU 801.A N HIS 730.A O no hydrogen 3.142 N/A ASP 806.A N GLY 802.A O no hydrogen 2.724 N/A GLN 807.A N LYS 803.A O no hydrogen 2.929 N/A TRP 808.A N ARG 804.A O no hydrogen 2.852 N/A CYS 809.A N GLU 805.A O no hydrogen 3.040 N/A CYS 809.A N ASP 806.A O no hydrogen 3.193 N/A CYS 809.A SG HIS 674.A NE2 no hydrogen 3.652 N/A CYS 809.A SG HIS 676.A NE2 no hydrogen 3.784 N/A CYS 809.A SG GLU 805.A O no hydrogen 4.026 N/A GLY 810.A N GLN 807.A O no hydrogen 3.107 N/A SER 811.A N ASP 806.A O no hydrogen 3.227 N/A LEU 812.A N ASP 733.A OD2 no hydrogen 3.282 N/A ARG 818.A NE ASP 733.A OD1 no hydrogen 3.174 N/A ARG 818.A NH1 ASP 733.A OD1 no hydrogen 3.397 N/A ALA 819.A N LEU 815.A O no hydrogen 3.121 N/A THR 820.A N THR 816.A O no hydrogen 2.948 N/A THR 820.A OG1 SER 817.A O no hydrogen 2.961 N/A TRP 821.A N SER 817.A O no hydrogen 2.982 N/A ALA 822.A N ARG 818.A O no hydrogen 2.779 N/A GLN 823.A N ALA 819.A O no hydrogen 2.946 N/A GLN 823.A NE2 GLN 823.A O no hydrogen 3.051 N/A ASN 824.A N THR 820.A O no hydrogen 2.953 N/A ASN 824.A N TRP 821.A O no hydrogen 2.722 N/A THR 827.A OG1 ASN 824.A O no hydrogen 2.582 N/A ALA 828.A N ASN 824.A O no hydrogen 3.088 N/A ILE 829.A N ILE 825.A O no hydrogen 2.864 N/A GLN 830.A N LEU 826.A O no hydrogen 2.933 N/A GLN 831.A N THR 827.A O no hydrogen 2.882 N/A VAL 832.A N ALA 828.A O no hydrogen 2.967 N/A ARG 833.A N ILE 829.A O no hydrogen 2.812 N/A ARG 833.A NE SER 743.A O no hydrogen 2.946 N/A ARG 833.A NH2 SER 743.A O no hydrogen 2.839 N/A SER 834.A N GLN 830.A O no hydrogen 2.889 N/A SER 834.A OG GLN 830.A O no hydrogen 2.940 N/A LEU 835.A N GLN 831.A O no hydrogen 2.953 N/A ILE 836.A N VAL 832.A O no hydrogen 2.957 N/A GLY 837.A N ARG 833.A O no hydrogen 3.023 N/A SER 847.A N TYR 844.A O no hydrogen 3.290 N/A MET 848.A N MET 845.A O no hydrogen 2.918 N/A ARG 850.A NH1 ALA 822.A O no hydrogen 3.122 N/A PHE 851.A N MET 848.A O no hydrogen 3.195 N/A