Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7mq9_LQ.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 592.A OD2 no hydrogen 2.416 N/A ARG 5.A N GLU 638.A O no hydrogen 3.478 N/A ARG 5.A NH2 GLU 645.A OE2 no hydrogen 2.893 N/A TYR 6.A N GLN 600.A OE1 no hydrogen 3.434 N/A TYR 6.A OH GLY 618.A O no hydrogen 2.668 N/A VAL 7.A N GLU 634.A O no hydrogen 2.996 N/A SER 9.A N LEU 632.A O no hydrogen 2.863 N/A SER 9.A OG LEU 632.A O no hydrogen 2.926 N/A PHE 12.A N LEU 630.A O no hydrogen 2.855 N/A SER 17.A N PRO 38.A O no hydrogen 2.558 N/A GLN 18.A NE2 GLN 333.A O no hydrogen 3.442 N/A LYS 19.A NZ GLU 63.A OE1 no hydrogen 2.372 N/A ASN 21.A ND2 LEU 67.A O no hydrogen 2.987 N/A ILE 22.A N SER 318.A OG no hydrogen 2.819 N/A VAL 23.A N ALA 36.A O no hydrogen 3.389 N/A PHE 24.A N ASP 320.A OD2 no hydrogen 3.062 N/A VAL 25.A N TYR 34.A O no hydrogen 3.312 N/A ARG 28.A NH1 TYR 34.A OH no hydrogen 2.729 N/A GLU 30.A N LEU 27.A O no hydrogen 3.102 N/A VAL 35.A N TRP 46.A O no hydrogen 3.003 N/A ALA 36.A N VAL 23.A O no hydrogen 2.878 N/A VAL 37.A N PHE 44.A O no hydrogen 2.546 N/A ALA 39.A N HIS 42.A O no hydrogen 2.625 N/A HIS 42.A NE2 GLN 58.A OE1 no hydrogen 2.362 N/A PHE 44.A N VAL 37.A O no hydrogen 2.695 N/A TRP 46.A N VAL 35.A O no hydrogen 2.780 N/A ASP 47.A N GLU 52.A O no hydrogen 3.110 N/A LEU 48.A N ARG 33.A O no hydrogen 3.381 N/A GLY 51.A N ASP 47.A O no hydrogen 2.613 N/A ILE 54.A N ILE 45.A O no hydrogen 3.176 N/A LEU 57.A N VAL 43.A O no hydrogen 3.334 N/A GLY 59.A N GLN 58.A OE1 no hydrogen 3.252 N/A THR 65.A N GLY 79.A O no hydrogen 2.906 N/A THR 65.A OG1 GLY 79.A O no hydrogen 3.303 N/A THR 65.A OG1 ILE 106.A O no hydrogen 2.755 N/A CYS 66.A SG ILE 106.A O no hydrogen 3.578 N/A LEU 67.A N ASN 21.A OD1 no hydrogen 2.432 N/A CYS 68.A N ALA 77.A O no hydrogen 3.022 N/A CYS 68.A SG PRO 69.A O no hydrogen 3.920 N/A CYS 68.A SG LEU 109.A O no hydrogen 3.640 N/A SER 70.A N HIS 75.A O no hydrogen 2.737 N/A SER 70.A OG ASP 72.A OD1 no hydrogen 2.321 N/A SER 70.A OG HIS 75.A O no hydrogen 2.553 N/A GLY 73.A N SER 70.A OG no hydrogen 3.370 N/A LEU 74.A N ASP 72.A OD1 no hydrogen 3.045 N/A HIS 75.A N SER 70.A OG no hydrogen 3.001 N/A LEU 76.A N PHE 88.A O no hydrogen 3.013 N/A ALA 77.A N CYS 68.A O no hydrogen 2.432 N/A VAL 78.A N ARG 86.A O no hydrogen 2.653 N/A GLY 79.A N CYS 66.A O no hydrogen 3.192 N/A TYR 80.A N SER 84.A O no hydrogen 3.327 N/A GLU 81.A N GLU 63.A O no hydrogen 2.970 N/A ILE 85.A N PHE 99.A O no hydrogen 2.349 N/A ARG 86.A N VAL 78.A O no hydrogen 2.882 N/A PHE 88.A N LEU 76.A O no hydrogen 2.971 N/A SER 89.A OG SER 92.A OG no hydrogen 3.337 N/A LEU 90.A N LEU 74.A O no hydrogen 2.881 N/A SER 92.A OG SER 89.A O no hydrogen 3.420 N/A SER 92.A OG GLU 94.A O no hydrogen 3.407 N/A GLY 93.A N SER 89.A O no hydrogen 2.687 N/A GLU 94.A N SER 92.A OG no hydrogen 3.342 N/A PHE 99.A N ILE 85.A O no hydrogen 2.636 N/A HIS 102.A NE2 SER 120.A OG no hydrogen 2.875 N/A LYS 103.A N ASP 124.A OD2 no hydrogen 3.316 N/A ILE 106.A N TYR 80.A O no hydrogen 3.325 N/A THR 107.A N GLY 121.A O no hydrogen 2.642 N/A THR 107.A OG1 ILE 148.A O no hydrogen 2.845 N/A THR 108.A N GLY 121.A O no hydrogen 3.228 N/A THR 108.A OG1 LEU 109.A O no hydrogen 3.472 N/A LYS 110.A N ALA 119.A O no hydrogen 3.122 N/A GLY 115.A N ASP 112.A OD1 no hydrogen 2.933 N/A ARG 117.A N ASP 112.A OD1 no hydrogen 3.355 N/A ARG 117.A N ASP 112.A OD2 no hydrogen 3.222 N/A LEU 118.A N TRP 130.A O no hydrogen 2.918 N/A ALA 119.A N LYS 110.A O no hydrogen 3.121 N/A SER 120.A N ILE 128.A O no hydrogen 3.120 N/A SER 120.A OG HIS 102.A NE2 no hydrogen 2.875 N/A SER 120.A OG ILE 128.A O no hydrogen 3.084 N/A GLY 121.A N THR 108.A O no hydrogen 2.930 N/A SER 122.A OG ALA 105.A O no hydrogen 2.531 N/A SER 122.A OG ASP 124.A OD2 no hydrogen 2.901 N/A LYS 123.A N ALA 105.A O no hydrogen 3.030 N/A THR 125.A OG1 HIS 144.A O no hydrogen 3.338 N/A ASP 126.A N ASP 124.A O no hydrogen 2.622 N/A ILE 127.A N LEU 141.A O no hydrogen 2.805 N/A ILE 128.A N SER 120.A O no hydrogen 3.506 N/A VAL 129.A N TYR 139.A O no hydrogen 3.088 N/A TRP 130.A N LEU 118.A O no hydrogen 2.702 N/A TRP 130.A NE1 SER 120.A OG no hydrogen 2.866 N/A ASP 131.A N SER 136.A O no hydrogen 2.521 N/A VAL 132.A N GLY 116.A O no hydrogen 2.952 N/A ASN 134.A N ASP 131.A OD1 no hydrogen 3.244 N/A GLU 135.A N VAL 132.A O no hydrogen 3.365 N/A SER 136.A N ASP 131.A O no hydrogen 3.187 N/A LEU 138.A N VAL 129.A O no hydrogen 2.777 N/A LEU 141.A N ILE 127.A O no hydrogen 2.619 N/A LYS 142.A NZ ASP 126.A OD1 no hydrogen 3.126 N/A HIS 144.A NE2 THR 162.A OG1 no hydrogen 2.589 N/A LYS 145.A N ASP 166.A OD2 no hydrogen 3.075 N/A ALA 147.A N ASP 146.A OD1 no hydrogen 2.711 N/A ILE 148.A N SER 122.A O no hydrogen 3.266 N/A THR 149.A N SER 163.A O no hydrogen 2.911 N/A THR 149.A OG1 SER 163.A OG no hydrogen 2.571 N/A THR 149.A OG1 VAL 190.A O no hydrogen 2.961 N/A GLN 150.A N SER 163.A O no hydrogen 3.404 N/A ALA 151.A N GLN 150.A OE1 no hydrogen 3.249 N/A LEU 152.A N VAL 161.A O no hydrogen 2.910 N/A LEU 154.A N LEU 159.A O no hydrogen 2.595 N/A ARG 155.A N GLU 199.A OE2 no hydrogen 3.113 N/A ARG 155.A NH2 GLU 198.A OE2 no hydrogen 2.408 N/A LEU 160.A N TRP 172.A O no hydrogen 3.083 N/A VAL 161.A N LEU 152.A O no hydrogen 2.988 N/A THR 162.A N LYS 170.A O no hydrogen 3.019 N/A THR 162.A OG1 HIS 144.A NE2 no hydrogen 2.589 N/A SER 163.A N GLN 150.A O no hydrogen 2.887 N/A SER 163.A OG THR 149.A OG1 no hydrogen 2.571 N/A LYS 165.A N ALA 147.A O no hydrogen 2.626 N/A MET 168.A N ASP 166.A O no hydrogen 2.825 N/A VAL 169.A N MET 183.A O no hydrogen 3.084 N/A LYS 170.A N THR 162.A O no hydrogen 3.072 N/A TRP 171.A N LYS 181.A O no hydrogen 2.839 N/A TRP 172.A N LEU 160.A O no hydrogen 2.757 N/A TRP 172.A NE1 THR 162.A OG1 no hydrogen 2.833 N/A ASP 173.A N HIS 178.A O no hydrogen 2.894 N/A ASP 175.A N ASP 173.A OD1 no hydrogen 3.310 N/A THR 176.A OG1 ASP 173.A OD2 no hydrogen 3.475 N/A HIS 178.A N ASP 173.A O no hydrogen 3.334 N/A CYS 179.A SG TRP 171.A O no hydrogen 3.598 N/A CYS 179.A SG LYS 181.A O no hydrogen 3.856 N/A CYS 179.A SG THR 182.A OG1 no hydrogen 3.614 N/A MET 183.A N VAL 169.A O no hydrogen 2.709 N/A HIS 186.A NE2 THR 204.A OG1 no hydrogen 2.812 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.714 N/A TRP 191.A N GLY 205.A O no hydrogen 2.708 N/A TRP 191.A NE1 SER 207.A OG no hydrogen 2.999 N/A GLY 192.A N GLY 205.A O no hydrogen 3.213 N/A VAL 194.A N ILE 203.A O no hydrogen 3.195 N/A LEU 196.A N ARG 201.A O no hydrogen 3.407 N/A LYS 200.A N LEU 196.A O no hydrogen 3.325 N/A LYS 200.A N SER 197.A O no hydrogen 3.226 N/A ARG 201.A N LEU 196.A O no hydrogen 3.181 N/A LEU 202.A N TRP 214.A O no hydrogen 2.810 N/A ILE 203.A N VAL 194.A O no hydrogen 3.433 N/A THR 204.A OG1 HIS 186.A NE2 no hydrogen 2.812 N/A GLY 205.A N GLY 192.A O no hydrogen 3.005 N/A SER 207.A N THR 188.A OG1 no hydrogen 3.378 N/A LEU 211.A N ILE 233.A O no hydrogen 2.866 N/A ARG 212.A NH1 ASP 208.A OD2 no hydrogen 2.890 N/A ARG 212.A NH2 ASP 208.A OD2 no hydrogen 3.505 N/A VAL 213.A N GLY 231.A O no hydrogen 3.039 N/A TRP 214.A N LEU 202.A O no hydrogen 2.876 N/A ASP 215.A N ARG 228.A O no hydrogen 3.321 N/A ILE 216.A N LYS 200.A O no hydrogen 3.118 N/A ALA 217.A N SER 226.A O no hydrogen 2.926 N/A LEU 219.A N ILE 224.A O no hydrogen 3.189 N/A LEU 225.A N ARG 223.A O no hydrogen 2.606 N/A SER 226.A N ALA 217.A O no hydrogen 3.016 N/A ARG 228.A N ASP 215.A O no hydrogen 3.324 N/A ALA 230.A N VAL 213.A O no hydrogen 3.055 N/A GLY 231.A N VAL 213.A O no hydrogen 3.495 N/A SER 232.A OG LEU 211.A O no hydrogen 3.077 N/A ILE 233.A N LEU 211.A O no hydrogen 2.843 N/A ARG 235.A NH1 ASP 239.A O no hydrogen 3.024 N/A GLU 236.A N GLU 236.A OE1 no hydrogen 2.440 N/A GLY 237.A N GLU 263.A OE2 no hydrogen 3.069 N/A VAL 241.A N ALA 206.A O no hydrogen 3.455 N/A VAL 242.A N HIS 256.A O no hydrogen 2.774 N/A ASN 243.A N HIS 256.A O no hydrogen 3.343 N/A ASN 243.A ND2 LYS 317.A O no hydrogen 3.163 N/A ALA 245.A N ALA 254.A O no hydrogen 3.349 N/A THR 249.A OG1 LYS 248.A O no hydrogen 2.515 N/A GLY 250.A N ASP 247.A O no hydrogen 3.174 N/A ILE 252.A N ASP 247.A OD1 no hydrogen 3.330 N/A LEU 253.A N PHE 265.A O no hydrogen 2.600 N/A ALA 254.A N ALA 245.A O no hydrogen 3.108 N/A CYS 255.A N GLU 263.A O no hydrogen 2.777 N/A HIS 256.A N ASN 243.A O no hydrogen 3.171 N/A HIS 256.A NE2 ILE 316.A O no hydrogen 2.880 N/A THR 258.A N ASP 239.A OD2 no hydrogen 2.403 N/A LEU 262.A N ILE 310.A O no hydrogen 2.839 N/A GLU 263.A N CYS 255.A O no hydrogen 2.861 N/A PHE 265.A N LEU 253.A O no hydrogen 2.542 N/A CYS 266.A N GLN 305.A O no hydrogen 2.508 N/A CYS 266.A SG ARG 251.A O no hydrogen 3.999 N/A CYS 266.A SG ILE 267.A O no hydrogen 3.586 N/A ILE 267.A N ARG 251.A O no hydrogen 3.069 N/A LEU 268.A N GLU 303.A O no hydrogen 2.673 N/A GLU 272.A N SER 269.A O no hydrogen 3.130 N/A GLN 274.A N LYS 270.A O no hydrogen 3.340 N/A LYS 275.A N LYS 271.A O no hydrogen 2.610 N/A LYS 276.A N GLU 272.A O no hydrogen 2.959 N/A MET 277.A N ILE 273.A O no hydrogen 2.899 N/A ASP 278.A N GLN 274.A O no hydrogen 2.940 N/A LYS 279.A N LYS 275.A O no hydrogen 2.947 N/A LYS 280.A N LYS 276.A O no hydrogen 2.984 N/A MET 281.A N MET 277.A O no hydrogen 2.953 N/A LYS 282.A N ASP 278.A O no hydrogen 3.008 N/A LYS 283.A N LYS 279.A O no hydrogen 2.925 N/A ALA 284.A N LYS 280.A O no hydrogen 2.899 N/A ARG 285.A N MET 281.A O no hydrogen 2.949 N/A LYS 286.A N LYS 282.A O no hydrogen 2.919 N/A LYS 287.A N LYS 283.A O no hydrogen 2.974 N/A ALA 288.A N ALA 284.A O no hydrogen 2.902 N/A LYS 289.A N ARG 285.A O no hydrogen 2.948 N/A LEU 290.A N LYS 286.A O no hydrogen 2.967 N/A HIS 291.A N LYS 287.A O no hydrogen 2.936 N/A VAL 296.A N PRO 292.A O no hydrogen 3.093 N/A GLU 297.A N GLU 293.A O no hydrogen 2.893 N/A MET 298.A N VAL 294.A O no hydrogen 2.760 N/A SER 299.A N ASN 295.A O no hydrogen 2.858 N/A LEU 300.A N VAL 296.A O no hydrogen 3.031 N/A GLN 301.A N GLU 297.A O no hydrogen 3.218 N/A ASP 302.A N MET 298.A O no hydrogen 3.201 N/A GLU 303.A N LEU 300.A O no hydrogen 3.369 N/A GLN 305.A N CYS 266.A O no hydrogen 2.426 N/A ARG 306.A NH2 MET 234.A O no hydrogen 3.377 N/A THR 312.A OG1 SER 260.A O no hydrogen 2.899 N/A THR 312.A OG1 ALA 314.A O no hydrogen 3.018 N/A LYS 317.A N LEU 331.A O no hydrogen 2.654 N/A ASP 320.A N VAL 329.A O no hydrogen 3.034 N/A ILE 322.A N LYS 327.A O no hydrogen 3.161 N/A SER 324.A OG SER 324.A O no hydrogen 2.532 N/A LEU 326.A N LEU 342.A O no hydrogen 2.600 N/A LYS 327.A N ILE 322.A O no hydrogen 3.240 N/A ALA 328.A N TYR 340.A O no hydrogen 2.980 N/A VAL 329.A N ASP 320.A O no hydrogen 3.021 N/A PHE 330.A N GLU 338.A O no hydrogen 2.868 N/A LEU 331.A N SER 318.A O no hydrogen 2.970 N/A LEU 336.A N ASN 334.A O no hydrogen 2.537 N/A GLU 338.A N PHE 330.A O no hydrogen 3.447 N/A TYR 340.A N ALA 328.A O no hydrogen 2.860 N/A SER 341.A N VAL 345.A O no hydrogen 2.855 N/A LEU 342.A N LEU 326.A O no hydrogen 3.058 N/A VAL 345.A N SER 341.A O no hydrogen 3.127 N/A THR 347.A N LEU 339.A O no hydrogen 3.117 N/A SER 348.A OG LEU 48.A O no hydrogen 3.392 N/A ARG 356.A NH1 THR 351.A O no hydrogen 2.938 N/A ARG 356.A NH2 ASN 335.A OD1 no hydrogen 2.397 N/A ARG 356.A NH2 THR 351.A O no hydrogen 3.420 N/A THR 361.A OG1 SER 401.A OG no hydrogen 2.927 N/A SER 363.A N LEU 372.A O no hydrogen 2.847 N/A SER 363.A OG SER 401.A O no hydrogen 2.644 N/A SER 365.A N ALA 370.A O no hydrogen 3.339 N/A SER 365.A OG ASP 367.A O no hydrogen 2.207 N/A SER 365.A OG ASP 367.A OD1 no hydrogen 2.514 N/A SER 365.A OG ALA 370.A O no hydrogen 3.226 N/A VAL 371.A N TRP 382.A O no hydrogen 2.636 N/A LEU 372.A N SER 363.A O no hydrogen 2.774 N/A SER 373.A N LYS 380.A O no hydrogen 3.126 N/A SER 373.A OG HIS 355.A NE2 no hydrogen 3.292 N/A ALA 374.A N THR 361.A O no hydrogen 3.287 N/A ALA 375.A N SER 378.A O no hydrogen 2.981 N/A SER 378.A OG HIS 355.A ND1 no hydrogen 3.205 N/A ILE 379.A N MET 393.A O no hydrogen 2.848 N/A LYS 380.A N SER 373.A O no hydrogen 2.983 N/A ILE 381.A N ARG 391.A O no hydrogen 3.281 N/A TRP 382.A N VAL 371.A O no hydrogen 2.621 N/A TRP 382.A NE1 SER 373.A OG no hydrogen 3.163 N/A ASN 383.A N GLN 388.A O no hydrogen 3.366 N/A ARG 384.A N ILE 369.A O no hydrogen 2.526 N/A ARG 384.A NH1 ASN 368.A O no hydrogen 3.423 N/A SER 385.A OG ASN 383.A OD1 no hydrogen 2.797 N/A THR 386.A N ASN 383.A OD1 no hydrogen 2.579 N/A THR 386.A OG1 ASN 383.A OD1 no hydrogen 3.559 N/A LEU 387.A N ASN 383.A O no hydrogen 2.859 N/A CYS 389.A N GLN 388.A OE1 no hydrogen 3.007 N/A CYS 389.A SG ILE 381.A O no hydrogen 4.038 N/A CYS 389.A SG ARG 391.A O no hydrogen 3.725 N/A CYS 389.A SG THR 392.A OG1 no hydrogen 3.449 N/A ILE 390.A N ILE 381.A O no hydrogen 2.678 N/A ARG 391.A NH1 ALA 425.A O no hydrogen 2.901 N/A MET 393.A N ILE 379.A O no hydrogen 2.999 N/A CYS 395.A SG ALA 375.A O no hydrogen 3.432 N/A CYS 395.A SG SER 378.A O no hydrogen 3.339 N/A LEU 399.A N GLY 413.A O no hydrogen 3.294 N/A CYS 400.A SG MET 443.A O no hydrogen 3.643 N/A SER 401.A OG THR 361.A OG1 no hydrogen 2.927 N/A PHE 402.A N VAL 411.A O no hydrogen 3.251 N/A VAL 410.A N TYR 422.A O no hydrogen 2.979 N/A GLY 413.A N CYS 400.A O no hydrogen 2.397 N/A THR 414.A OG1 THR 416.A O no hydrogen 2.277 N/A THR 414.A OG1 LYS 418.A O no hydrogen 2.598 N/A LYS 418.A N THR 414.A OG1 no hydrogen 3.009 N/A LYS 418.A N THR 416.A O no hydrogen 2.631 N/A LYS 418.A NZ THR 416.A OG1 no hydrogen 3.392 N/A LEU 419.A N ILE 433.A O no hydrogen 3.097 N/A TYR 422.A N VAL 410.A O no hydrogen 3.252 N/A TYR 422.A OH THR 394.A O no hydrogen 3.267 N/A TYR 422.A OH GLN 420.A OE1 no hydrogen 2.166 N/A LEU 424.A N ARG 408.A O no hydrogen 2.853 N/A GLY 427.A N ASP 423.A O no hydrogen 2.974 N/A LEU 430.A N LEU 421.A O no hydrogen 2.736 N/A ILE 433.A N LEU 419.A O no hydrogen 3.190 N/A HIS 436.A ND1 ASP 458.A OD1 no hydrogen 2.525 N/A HIS 436.A NE2 THR 454.A OG1 no hydrogen 2.752 N/A LEU 440.A N THR 414.A O no hydrogen 3.440 N/A TRP 441.A N GLY 455.A O no hydrogen 3.041 N/A SER 442.A N GLY 455.A O no hydrogen 2.995 N/A SER 442.A OG VAL 486.A O no hydrogen 3.534 N/A SER 444.A N VAL 453.A O no hydrogen 3.001 N/A SER 444.A OG VAL 486.A O no hydrogen 2.728 N/A SER 446.A OG ASP 448.A OD1 no hydrogen 2.338 N/A SER 446.A OG GLN 492.A OE1 no hydrogen 3.208 N/A PHE 452.A N TRP 464.A O no hydrogen 2.856 N/A VAL 453.A N SER 444.A O no hydrogen 3.088 N/A THR 454.A N LYS 462.A O no hydrogen 3.052 N/A THR 454.A OG1 HIS 436.A NE2 no hydrogen 2.752 N/A THR 454.A OG1 LYS 462.A O no hydrogen 3.222 N/A GLY 455.A N SER 442.A O no hydrogen 2.922 N/A ALA 457.A N ALA 439.A O no hydrogen 2.366 N/A SER 460.A OG GLN 478.A OE1 no hydrogen 2.442 N/A VAL 461.A N LEU 477.A O no hydrogen 2.651 N/A LYS 462.A N THR 454.A O no hydrogen 3.107 N/A LYS 462.A NZ ASP 458.A OD2 no hydrogen 2.674 N/A PHE 463.A N ARG 475.A O no hydrogen 2.812 N/A TRP 464.A N PHE 452.A O no hydrogen 2.912 N/A TRP 464.A NE1 THR 454.A OG1 no hydrogen 2.649 N/A ASP 465.A N LYS 472.A O no hydrogen 3.022 N/A GLU 467.A N SER 470.A O no hydrogen 2.443 N/A SER 470.A N GLU 467.A O no hydrogen 3.035 N/A SER 470.A OG GLU 431.A OE2 no hydrogen 2.752 N/A LYS 472.A N ASP 465.A O no hydrogen 3.126 N/A LYS 472.A NZ ASP 465.A OD2 no hydrogen 3.035 N/A THR 474.A N PHE 463.A O no hydrogen 3.012 N/A THR 474.A OG1 PHE 463.A O no hydrogen 3.525 N/A THR 476.A OG1 VAL 461.A O no hydrogen 3.034 N/A LEU 477.A N VAL 461.A O no hydrogen 2.623 N/A GLN 478.A NE2 LEU 479.A O no hydrogen 2.570 N/A VAL 483.A N GLY 456.A O no hydrogen 3.454 N/A LEU 484.A N SER 498.A O no hydrogen 2.892 N/A CYS 485.A SG SER 442.A OG no hydrogen 3.767 N/A CYS 485.A SG VAL 486.A O no hydrogen 3.712 N/A VAL 486.A N SER 442.A OG no hydrogen 3.323 N/A SER 487.A N ALA 496.A O no hydrogen 3.028 N/A TYR 488.A OH GLN 492.A OE1 no hydrogen 3.029 N/A SER 489.A N LEU 494.A O no hydrogen 3.134 N/A SER 489.A OG ASN 491.A O no hydrogen 2.324 N/A SER 489.A OG ASN 491.A OD1 no hydrogen 3.270 N/A SER 489.A OG LEU 494.A O no hydrogen 2.510 N/A GLN 492.A NE2 PRO 490.A O no hydrogen 3.652 N/A LEU 494.A N SER 489.A OG no hydrogen 2.906 N/A LEU 495.A N PHE 507.A O no hydrogen 2.929 N/A ALA 496.A N SER 487.A O no hydrogen 3.147 N/A VAL 497.A N LYS 505.A O no hydrogen 3.128 N/A SER 498.A N CYS 485.A O no hydrogen 2.999 N/A SER 498.A OG VAL 525.A O no hydrogen 3.154 N/A LEU 499.A N THR 503.A O no hydrogen 3.448 N/A ASP 501.A N GLU 481.A OE1 no hydrogen 2.480 N/A CYS 502.A SG LYS 522.A O no hydrogen 3.235 N/A THR 503.A N ASP 501.A O no hydrogen 2.602 N/A THR 503.A OG1 SER 517.A OG no hydrogen 2.883 N/A THR 503.A OG1 LEU 518.A O no hydrogen 3.238 N/A VAL 504.A N LEU 518.A O no hydrogen 2.815 N/A LYS 505.A N VAL 497.A O no hydrogen 3.149 N/A ILE 506.A N LEU 516.A O no hydrogen 3.254 N/A PHE 507.A N LEU 495.A O no hydrogen 2.737 N/A TYR 508.A N LYS 513.A O no hydrogen 2.973 N/A VAL 509.A N LYS 493.A O no hydrogen 2.998 N/A LEU 512.A N TYR 508.A O no hydrogen 2.861 N/A PHE 515.A N ILE 506.A O no hydrogen 3.068 N/A SER 517.A OG THR 503.A OG1 no hydrogen 2.883 N/A LEU 518.A N VAL 504.A O no hydrogen 2.718 N/A HIS 521.A NE2 THR 539.A OG1 no hydrogen 3.345 N/A LEU 523.A N ASP 543.A OD2 no hydrogen 2.954 N/A ILE 526.A N GLY 540.A O no hydrogen 2.914 N/A CYS 527.A N GLY 540.A O no hydrogen 3.373 N/A CYS 527.A SG GLY 540.A O no hydrogen 4.040 N/A ASP 529.A N ALA 538.A O no hydrogen 3.295 N/A SER 531.A N LEU 536.A O no hydrogen 3.176 N/A GLY 534.A N SER 531.A O no hydrogen 3.176 N/A ILE 537.A N TRP 549.A O no hydrogen 2.986 N/A ALA 538.A N ASP 529.A O no hydrogen 3.094 N/A THR 539.A N LYS 547.A O no hydrogen 2.923 N/A THR 539.A OG1 HIS 521.A NE2 no hydrogen 3.345 N/A THR 539.A OG1 LYS 547.A O no hydrogen 3.518 N/A GLY 540.A N CYS 527.A O no hydrogen 3.098 N/A SER 541.A OG LEU 523.A O no hydrogen 2.386 N/A SER 541.A OG PRO 524.A O no hydrogen 2.917 N/A SER 541.A OG ASP 543.A OD2 no hydrogen 3.086 N/A ALA 542.A N PRO 524.A O no hydrogen 3.203 N/A ASP 543.A N SER 541.A OG no hydrogen 3.321 N/A VAL 546.A N LEU 560.A O no hydrogen 3.165 N/A LYS 547.A N THR 539.A O no hydrogen 2.977 N/A LYS 547.A NZ SER 559.A OG no hydrogen 3.166 N/A ILE 548.A N LYS 558.A O no hydrogen 3.213 N/A TRP 549.A N ILE 537.A O no hydrogen 2.825 N/A TRP 549.A NE1 THR 539.A OG1 no hydrogen 2.995 N/A GLY 550.A N ASP 555.A O no hydrogen 2.951 N/A LEU 551.A N ALA 535.A O no hydrogen 2.885 N/A GLY 554.A N GLY 550.A O no hydrogen 2.776 N/A CYS 556.A SG ILE 548.A O no hydrogen 3.606 N/A CYS 556.A SG LYS 558.A O no hydrogen 3.407 N/A HIS 557.A N ILE 548.A O no hydrogen 2.837 N/A LEU 560.A N VAL 546.A O no hydrogen 2.966 N/A HIS 563.A ND1 ASP 585.A OD2 no hydrogen 3.001 N/A ASP 564.A N ASP 585.A OD2 no hydrogen 3.279 N/A SER 566.A N ASP 565.A OD1 no hydrogen 2.454 N/A SER 566.A OG ALA 542.A O no hydrogen 2.908 N/A SER 566.A OG ASP 565.A OD1 no hydrogen 3.202 N/A MET 568.A N ALA 582.A O no hydrogen 2.452 N/A TYR 569.A N ALA 582.A O no hydrogen 3.435 N/A GLN 571.A N PHE 580.A O no hydrogen 3.084 N/A PHE 572.A N ASP 529.A OD2 no hydrogen 2.678 N/A VAL 573.A N LEU 578.A O no hydrogen 2.491 N/A PHE 579.A N TRP 591.A O no hydrogen 3.297 N/A PHE 580.A N GLN 571.A O no hydrogen 2.747 N/A THR 581.A N LYS 589.A O no hydrogen 2.970 N/A THR 581.A OG1 TYR 569.A O no hydrogen 3.450 N/A ALA 582.A N TYR 569.A O no hydrogen 3.150 N/A LYS 584.A N SER 566.A O no hydrogen 3.190 N/A ILE 588.A N LEU 602.A O no hydrogen 2.947 N/A LYS 589.A N THR 581.A O no hydrogen 3.320 N/A LYS 589.A NZ ALA 562.A O no hydrogen 3.141 N/A GLN 590.A N GLN 600.A O no hydrogen 3.349 N/A TRP 591.A N PHE 579.A O no hydrogen 3.092 N/A ASP 592.A N GLU 597.A O no hydrogen 3.021 N/A ALA 593.A N HIS 577.A O no hydrogen 2.902 N/A ASP 594.A N ASP 592.A OD1 no hydrogen 3.327 N/A PHE 596.A N ASP 592.A O no hydrogen 2.722 N/A HIS 598.A NE2 THR 601.A OG1 no hydrogen 2.783 N/A ILE 599.A N GLN 590.A O no hydrogen 3.129 N/A GLN 600.A NE2 LEU 4.A O no hydrogen 2.322 N/A THR 601.A OG1 HIS 598.A NE2 no hydrogen 2.783 N/A LEU 602.A N ILE 588.A O no hydrogen 2.617 N/A HIS 605.A NE2 SER 623.A OG no hydrogen 2.459 N/A HIS 606.A N ASP 627.A OD2 no hydrogen 3.223 N/A HIS 606.A NE2 GLU 41.A OE1 no hydrogen 3.051 N/A GLN 607.A NE2 HIS 606.A O no hydrogen 2.981 N/A GLU 608.A N GLU 608.A OE1 no hydrogen 2.713 N/A TRP 610.A N SER 624.A O no hydrogen 3.002 N/A CYS 611.A N SER 624.A OG no hydrogen 3.231 N/A CYS 611.A SG LEU 612.A O no hydrogen 3.392 N/A ALA 613.A N VAL 622.A O no hydrogen 2.762 N/A SER 615.A N TYR 620.A O no hydrogen 2.854 N/A SER 615.A OG TYR 620.A O no hydrogen 3.171 N/A SER 617.A N ASN 368.A OD1 no hydrogen 3.520 N/A GLY 618.A N SER 615.A O no hydrogen 2.756 N/A TYR 620.A N SER 615.A OG no hydrogen 2.870 N/A TYR 620.A OH GLU 634.A OE2 no hydrogen 2.930 N/A VAL 621.A N TRP 633.A O no hydrogen 2.971 N/A VAL 622.A N ALA 613.A O no hydrogen 2.940 N/A SER 623.A N ARG 631.A O no hydrogen 3.320 N/A SER 623.A OG HIS 605.A NE2 no hydrogen 2.459 N/A SER 624.A N CYS 611.A O no hydrogen 3.134 N/A SER 624.A OG VAL 359.A O no hydrogen 3.192 N/A SER 625.A OG GLU 608.A O no hydrogen 2.908 N/A SER 625.A OG ASP 627.A OD2 no hydrogen 2.961 N/A HIS 626.A N GLU 608.A O no hydrogen 2.672 N/A SER 629.A OG ASP 627.A O no hydrogen 3.569 N/A SER 629.A OG ASP 627.A OD1 no hydrogen 2.498 N/A LEU 630.A N PHE 12.A O no hydrogen 2.881 N/A ARG 631.A NH1 GLU 41.A OE2 no hydrogen 3.009 N/A ARG 631.A NH2 GLU 41.A OE2 no hydrogen 3.567 N/A LEU 632.A N ALA 10.A O no hydrogen 3.164 N/A TRP 633.A N VAL 621.A O no hydrogen 2.814 N/A GLU 634.A N VAL 7.A O no hydrogen 2.980 N/A ARG 635.A N ASP 619.A O no hydrogen 3.056 N/A ARG 635.A NE TYR 6.A OH no hydrogen 3.330 N/A ARG 635.A NH2 SER 617.A O no hydrogen 3.539 N/A THR 636.A N ARG 5.A O no hydrogen 2.856 N/A THR 636.A OG1 ARG 5.A O no hydrogen 2.647 N/A LEU 640.A N TYR 3.A O no hydrogen 2.724 N/A GLU 643.A N GLU 643.A OE1 no hydrogen 2.553 N/A GLU 645.A N ILE 641.A O no hydrogen 3.305 N/A ARG 646.A N LEU 642.A O no hydrogen 2.735 N/A ARG 646.A NE GLU 649.A OE1 no hydrogen 2.846 N/A ARG 646.A NH1 HIS 598.A O no hydrogen 2.739 N/A ARG 646.A NH2 GLU 649.A OE1 no hydrogen 2.812 N/A GLU 647.A N GLU 643.A O no hydrogen 2.918 N/A MET 648.A N GLU 644.A O no hydrogen 2.992 N/A GLU 649.A N GLU 645.A O no hydrogen 3.248 N/A ARG 650.A N ARG 646.A O no hydrogen 3.210 N/A GLU 651.A N GLU 647.A O no hydrogen 3.005 N/A ALA 652.A N MET 648.A O no hydrogen 2.933 N/A ARG 659.A N LYS 655.A O no hydrogen 2.979 N/A ARG 659.A NH1 VAL 654.A O no hydrogen 3.278 N/A ILE 660.A N ALA 656.A O no hydrogen 3.379 N/A ILE 660.A N ALA 657.A O no hydrogen 3.255 N/A GLU 662.A N GLU 658.A O no hydrogen 3.475 N/A ALA 663.A N ARG 659.A O no hydrogen 3.017 N/A ILE 664.A N ILE 660.A O no hydrogen 2.945 N/A GLU 665.A N MET 661.A O no hydrogen 2.778 N/A LEU 666.A N GLU 662.A O no hydrogen 2.973 N/A TYR 667.A N ALA 663.A O no hydrogen 3.119 N/A ARG 668.A N ILE 664.A O no hydrogen 3.078 N/A ARG 668.A NE ASP 724.A OD2 no hydrogen 2.692 N/A ARG 668.A NH2 ASP 724.A OD2 no hydrogen 2.552 N/A GLU 669.A N GLU 665.A O no hydrogen 3.260 N/A GLU 670.A N LEU 666.A O no hydrogen 3.249 N/A THR 671.A N TYR 667.A O no hydrogen 3.267 N/A THR 671.A OG1 TYR 667.A O no hydrogen 3.341 N/A THR 671.A OG1 ARG 668.A O no hydrogen 2.740 N/A ALA 672.A N ARG 668.A O no hydrogen 3.330 N/A LYS 673.A N GLU 669.A O no hydrogen 3.073 N/A MET 674.A N GLU 670.A O no hydrogen 2.737 N/A LYS 675.A N THR 671.A O no hydrogen 2.973 N/A GLU 676.A N ALA 672.A O no hydrogen 3.031 N/A HIS 677.A N LYS 673.A O no hydrogen 2.796 N/A LYS 678.A N MET 674.A O no hydrogen 3.268 N/A LYS 678.A NZ MET 674.A O no hydrogen 2.687 N/A ALA 679.A N LYS 675.A O no hydrogen 3.192 N/A ILE 680.A N GLU 676.A O no hydrogen 3.042 N/A CYS 681.A N HIS 677.A O no hydrogen 3.241 N/A CYS 681.A SG HIS 677.A O no hydrogen 3.156 N/A LYS 682.A N LYS 678.A O no hydrogen 3.213 N/A LEU 686.A N ASN 683.A O no hydrogen 2.802 N/A ALA 688.A N PRO 684.A O no hydrogen 3.065 N/A TYR 689.A N ILE 685.A O no hydrogen 3.228 N/A GLY 690.A N MET 687.A O no hydrogen 3.060 N/A SER 693.A OG SER 695.A OG no hydrogen 2.641 N/A SER 695.A N SER 693.A OG no hydrogen 3.292 N/A SER 695.A OG SER 693.A OG no hydrogen 2.641 N/A TYR 697.A N SER 693.A O no hydrogen 3.169 N/A LEU 699.A N ALA 696.A O no hydrogen 2.962 N/A PHE 702.A N VAL 698.A O no hydrogen 3.103 N/A LYS 703.A N LEU 699.A O no hydrogen 2.968 N/A GLY 704.A N GLU 700.A O no hydrogen 2.571 N/A ILE 705.A N ILE 701.A O no hydrogen 3.270 N/A LEU 710.A N SER 707.A O no hydrogen 3.374 N/A GLU 711.A N GLU 711.A OE2 no hydrogen 2.757 N/A GLU 712.A N GLU 712.A OE1 no hydrogen 2.860 N/A SER 713.A OG GLU 709.A O no hydrogen 3.131 N/A SER 713.A OG LEU 710.A O no hydrogen 2.641 N/A LEU 714.A N LEU 710.A O no hydrogen 3.270 N/A LEU 715.A N GLU 711.A O no hydrogen 2.911 N/A VAL 716.A N GLU 712.A O no hydrogen 2.869 N/A LEU 717.A N SER 713.A O no hydrogen 3.242 N/A LEU 717.A N LEU 714.A O no hydrogen 3.096 N/A VAL 722.A N PHE 719.A O no hydrogen 3.155 N/A ILE 725.A N TYR 721.A O no hydrogen 3.139 N/A LEU 726.A N VAL 722.A O no hydrogen 3.235 N/A LYS 727.A N PRO 723.A O no hydrogen 3.419 N/A LEU 728.A N ASP 724.A O no hydrogen 2.914 N/A PHE 729.A N ILE 725.A O no hydrogen 2.712 N/A ASN 730.A N LEU 726.A O no hydrogen 3.176 N/A PHE 732.A N LEU 728.A O no hydrogen 3.205 N/A ILE 733.A N PHE 729.A O no hydrogen 3.100 N/A GLN 734.A N ASN 730.A O no hydrogen 3.380 N/A LEU 735.A N GLU 731.A O no hydrogen 3.265 N/A GLY 736.A N ILE 733.A O no hydrogen 3.062 N/A CYS 743.A N VAL 739.A O no hydrogen 2.832 N/A CYS 743.A SG VAL 739.A O no hydrogen 3.163 N/A ARG 744.A N GLU 740.A O no hydrogen 2.925 N/A ARG 744.A NH1 SER 707.A OG no hydrogen 3.166 N/A ARG 744.A NH2 SER 707.A O no hydrogen 3.409 N/A CYS 745.A N LEU 741.A O no hydrogen 3.007 N/A CYS 745.A SG LEU 741.A O no hydrogen 3.264 N/A LEU 746.A N ILE 742.A O no hydrogen 2.580 N/A PHE 747.A N CYS 743.A O no hydrogen 2.957 N/A LEU 749.A N CYS 745.A O no hydrogen 3.448 N/A LEU 750.A N LEU 746.A O no hydrogen 3.285 N/A ARG 751.A N PHE 747.A O no hydrogen 3.479 N/A ILE 752.A N PHE 748.A O no hydrogen 3.406 N/A HIS 753.A N LEU 749.A O no hydrogen 3.130 N/A PHE 754.A N ARG 751.A O no hydrogen 3.329 N/A ILE 757.A N HIS 753.A O no hydrogen 2.960 N/A THR 758.A OG1 PHE 754.A O no hydrogen 3.434 N/A THR 758.A OG1 GLY 755.A O no hydrogen 2.664 N/A VAL 764.A N GLN 761.A O no hydrogen 3.245 N/A ILE 767.A N LEU 763.A O no hydrogen 3.285 N/A GLU 768.A N VAL 764.A O no hydrogen 3.293 N/A LYS 769.A N PRO 765.A O no hydrogen 3.154 N/A LYS 769.A NZ THR 773.A OG1 no hydrogen 2.735 N/A LEU 770.A N VAL 766.A O no hydrogen 2.825 N/A ARG 771.A N ILE 767.A O no hydrogen 2.675 N/A GLU 772.A N GLU 768.A O no hydrogen 3.349 N/A THR 773.A N LYS 769.A O no hydrogen 3.146 N/A THR 773.A OG1 ASN 730.A OD1 no hydrogen 3.253 N/A THR 773.A OG1 LYS 769.A O no hydrogen 2.926 N/A THR 774.A N LEU 770.A O no hydrogen 2.971 N/A THR 774.A OG1 LEU 770.A O no hydrogen 2.786 N/A SER 776.A OG GLU 772.A O no hydrogen 2.699 N/A SER 776.A OG GLU 772.A OE2 no hydrogen 3.564 N/A LYS 777.A N THR 773.A O no hydrogen 2.930 N/A LYS 777.A NZ ILE 733.A O no hydrogen 2.380 N/A LYS 777.A NZ GLN 734.A O no hydrogen 3.094 N/A VAL 778.A N THR 774.A O no hydrogen 3.101 N/A SER 779.A N ILE 775.A O no hydrogen 3.099 N/A SER 779.A OG ILE 775.A O no hydrogen 2.833 N/A GLN 780.A N SER 776.A O no hydrogen 3.426 N/A VAL 781.A N LYS 777.A O no hydrogen 3.180 N/A ARG 782.A N VAL 778.A O no hydrogen 3.019 N/A ASP 783.A N SER 779.A O no hydrogen 2.798 N/A VAL 784.A N GLN 780.A O no hydrogen 3.081 N/A ILE 785.A N VAL 781.A O no hydrogen 3.334 N/A GLY 786.A N ARG 782.A O no hydrogen 2.779 N/A PHE 787.A N ASP 783.A O no hydrogen 2.854 N/A ASN 788.A N VAL 784.A O no hydrogen 3.229 N/A MET 789.A N ILE 785.A O no hydrogen 3.028 N/A ALA 790.A N GLY 786.A O no hydrogen 3.339 N/A GLY 791.A N PHE 787.A O no hydrogen 3.223 N/A LEU 792.A N ASN 788.A O no hydrogen 3.015 N/A ASP 793.A N MET 789.A O no hydrogen 3.145 N/A TYR 794.A N ALA 790.A O no hydrogen 3.188 N/A LEU 795.A N GLY 791.A O no hydrogen 3.252 N/A LYS 796.A N LEU 792.A O no hydrogen 2.929 N/A LYS 796.A NZ GLU 800.A OE2 no hydrogen 2.475 N/A ARG 797.A N ASP 793.A O no hydrogen 3.039 N/A GLU 798.A N TYR 794.A O no hydrogen 3.114 N/A CYS 799.A N LEU 795.A O no hydrogen 3.228 N/A CYS 799.A SG LEU 795.A O no hydrogen 3.263 N/A GLU 800.A N LYS 796.A O no hydrogen 3.166 N/A ALA 801.A N ARG 797.A O no hydrogen 2.906 N/A LYS 802.A N GLU 798.A O no hydrogen 3.080 N/A SER 803.A N CYS 799.A O no hydrogen 3.264 N/A SER 803.A OG CYS 799.A O no hydrogen 2.974 N/A GLU 804.A N GLU 800.A O no hydrogen 3.398 N/A VAL 805.A N LYS 802.A O no hydrogen 3.089 N/A PHE 807.A N SER 803.A O no hydrogen 3.435 N/A GLU 812.A N SER 808.A O no hydrogen 3.038 N/A LYS 813.A N HIS 809.A O no hydrogen 2.933 N/A LYS 814.A N LEU 810.A O no hydrogen 2.885 N/A ARG 815.A N GLU 811.A O no hydrogen 3.008 N/A LYS 816.A N GLU 812.A O no hydrogen 3.024 N/A ARG 817.A N LYS 813.A O no hydrogen 2.955 N/A LYS 818.A N LYS 814.A O no hydrogen 2.859 N/A LYS 819.A N ARG 815.A O no hydrogen 3.012 N/A ARG 820.A N LYS 816.A O no hydrogen 3.301 N/A ARG 820.A NH2 GLU 800.A OE2 no hydrogen 3.218 N/A