Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8qku_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 20.A N ARG 16.A O no hydrogen 2.884 N/A LYS 20.A NZ ASP 4.A OD2 no hydrogen 2.392 N/A GLN 21.A N THR 17.A O no hydrogen 2.917 N/A GLY 22.A N TYR 18.A O no hydrogen 2.871 N/A LEU 23.A N GLN 19.A O no hydrogen 2.935 N/A ASN 24.A N LYS 20.A O no hydrogen 2.878 N/A TRP 25.A N GLN 21.A O no hydrogen 2.929 N/A LEU 26.A N GLY 22.A O no hydrogen 2.893 N/A ALA 27.A N LEU 23.A O no hydrogen 2.887 N/A SER 28.A OG TRP 25.A O no hydrogen 2.744 N/A LEU 29.A N LEU 26.A O no hydrogen 3.144 N/A ASN 31.A N ALA 27.A O no hydrogen 2.910 N/A ASN 32.A N SER 28.A O no hydrogen 2.872 N/A HIS 33.A N TYR 30.A O no hydrogen 3.070 N/A THR 34.A N LEU 29.A O no hydrogen 2.623 N/A THR 34.A OG1 LEU 29.A O no hydrogen 3.015 N/A LEU 38.A N LEU 169.A O no hydrogen 2.935 N/A GLU 41.A N ARG 224.A O no hydrogen 3.143 N/A GLN 49.A N GLY 45.A O no hydrogen 3.155 N/A GLN 49.A NE2 GLY 45.A O no hydrogen 2.659 N/A THR 50.A N LYS 46.A O no hydrogen 2.942 N/A THR 50.A OG1 THR 47.A O no hydrogen 2.555 N/A ILE 51.A N THR 47.A O no hydrogen 2.909 N/A SER 52.A N ILE 48.A O no hydrogen 2.886 N/A SER 52.A OG ILE 48.A O no hydrogen 3.212 N/A SER 52.A OG GLN 49.A O no hydrogen 2.454 N/A LEU 53.A N GLN 49.A O no hydrogen 2.905 N/A LEU 54.A N THR 50.A O no hydrogen 2.963 N/A ALA 55.A N ILE 51.A O no hydrogen 2.897 N/A TYR 56.A N SER 52.A O no hydrogen 2.881 N/A LEU 57.A N LEU 53.A O no hydrogen 2.908 N/A ALA 58.A N LEU 54.A O no hydrogen 2.900 N/A CYS 59.A N ALA 55.A O no hydrogen 2.899 N/A CYS 59.A SG SER 9.A O no hydrogen 3.661 N/A CYS 59.A SG SER 9.A OG no hydrogen 3.584 N/A CYS 59.A SG ALA 55.A O no hydrogen 3.223 N/A GLU 60.A N TYR 56.A O no hydrogen 2.879 N/A LYS 61.A NZ TYR 30.A OH no hydrogen 3.220 N/A HIS 67.A N HIS 116.A O no hydrogen 3.182 N/A LEU 68.A N TYR 139.A O no hydrogen 3.062 N/A ILE 69.A N CYS 118.A O no hydrogen 2.776 N/A VAL 70.A N VAL 141.A O no hydrogen 3.232 N/A VAL 71.A N VAL 120.A O no hydrogen 3.165 N/A SER 74.A OG SER 615.A O no hydrogen 2.526 N/A VAL 75.A N PRO 72.A O no hydrogen 3.224 N/A LEU 76.A N THR 73.A O no hydrogen 3.003 N/A MET 81.A N LEU 77.A O no hydrogen 2.930 N/A GLU 82.A N ASN 78.A O no hydrogen 2.902 N/A PHE 83.A N TRP 79.A O no hydrogen 2.885 N/A LYS 84.A N GLU 80.A O no hydrogen 2.908 N/A ARG 85.A N MET 81.A O no hydrogen 2.871 N/A PHE 86.A N GLU 82.A O no hydrogen 2.540 N/A LEU 93.A N VAL 117.A O no hydrogen 3.394 N/A ARG 102.A N GLY 97.A O no hydrogen 2.468 N/A LYS 103.A N GLN 100.A O no hydrogen 3.132 N/A LYS 105.A N GLN 101.A O no hydrogen 2.905 N/A ARG 106.A N ARG 102.A O no hydrogen 3.219 N/A ARG 106.A N LYS 103.A O no hydrogen 3.082 N/A LYS 107.A N GLU 104.A O no hydrogen 3.321 N/A TRP 109.A N ARG 106.A O no hydrogen 3.338 N/A ASP 113.A N ASP 113.A OD1 no hydrogen 2.524 N/A HIS 116.A N LYS 91.A O no hydrogen 2.951 N/A VAL 117.A N LYS 91.A O no hydrogen 3.113 N/A CYS 118.A N HIS 67.A O no hydrogen 2.366 N/A ILE 119.A N LEU 93.A O no hydrogen 3.185 N/A VAL 120.A N ILE 69.A O no hydrogen 2.710 N/A TYR 122.A N VAL 71.A O no hydrogen 3.004 N/A TYR 122.A OH ASP 143.A O no hydrogen 3.064 N/A GLN 127.A N LEU 124.A O no hydrogen 3.167 N/A ASP 128.A N LEU 124.A O no hydrogen 2.924 N/A GLN 129.A N GLN 129.A OE1 no hydrogen 2.666 N/A GLN 129.A NE2 VAL 126.A O no hydrogen 2.735 N/A SER 131.A OG ASP 128.A O no hydrogen 2.888 N/A PHE 132.A N ASP 128.A O no hydrogen 2.911 N/A LYS 133.A N GLN 129.A O no hydrogen 2.898 N/A ARG 134.A NH2 HIS 130.A O no hydrogen 3.476 N/A TRP 137.A N ASN 163.A O no hydrogen 3.127 N/A TRP 137.A NE1 PHE 132.A O no hydrogen 3.232 N/A VAL 141.A N LEU 68.A O no hydrogen 3.269 N/A LEU 142.A N LEU 168.A O no hydrogen 3.135 N/A GLU 144.A N LEU 170.A O no hydrogen 2.438 N/A ASN 147.A N GLU 144.A O no hydrogen 3.272 N/A ILE 148.A N ALA 145.A O no hydrogen 3.047 N/A LYS 149.A NZ HIS 146.A O no hydrogen 2.567 N/A ARG 152.A N ASN 150.A OD1 no hydrogen 3.263 N/A SER 153.A OG ASN 150.A O no hydrogen 3.377 N/A TRP 156.A N SER 153.A O no hydrogen 3.169 N/A ALA 158.A N THR 154.A O no hydrogen 2.906 N/A LEU 159.A N ARG 155.A O no hydrogen 3.314 N/A PHE 162.A N LEU 159.A O no hydrogen 3.422 N/A GLN 165.A NE2 TRP 137.A O no hydrogen 3.688 N/A LEU 168.A N MET 140.A O no hydrogen 3.365 N/A LEU 170.A N LEU 142.A O no hydrogen 2.689 N/A GLU 181.A N ASN 178.A O no hydrogen 3.281 N/A TRP 183.A N LEU 179.A O no hydrogen 2.898 N/A SER 184.A N ALA 180.A O no hydrogen 2.892 N/A SER 184.A OG LYS 149.A O no hydrogen 2.564 N/A SER 184.A OG GLU 181.A O no hydrogen 2.579 N/A LEU 185.A N GLU 181.A O no hydrogen 2.911 N/A LEU 186.A N LEU 182.A O no hydrogen 2.912 N/A TYR 187.A N TRP 183.A O no hydrogen 2.883 N/A TYR 187.A OH VAL 194.A O no hydrogen 2.754 N/A TYR 187.A OH ILE 195.A O no hydrogen 2.745 N/A PHE 188.A N SER 184.A O no hydrogen 2.902 N/A LEU 189.A N LEU 185.A O no hydrogen 2.913 N/A MET 190.A N LEU 186.A O no hydrogen 3.273 N/A THR 209.A N GLU 205.A O no hydrogen 3.184 N/A VAL 210.A N THR 206.A O no hydrogen 2.904 N/A ALA 211.A N LYS 207.A O no hydrogen 2.912 N/A LYS 212.A N LYS 208.A O no hydrogen 2.918 N/A LEU 213.A N THR 209.A O no hydrogen 2.893 N/A HIS 214.A N VAL 210.A O no hydrogen 2.890 N/A GLN 215.A N ALA 211.A O no hydrogen 2.910 N/A VAL 216.A N LYS 212.A O no hydrogen 2.926 N/A LEU 217.A N LEU 213.A O no hydrogen 3.481 N/A ARG 218.A N GLN 215.A O no hydrogen 3.234 N/A ARG 218.A NE ARG 218.A O no hydrogen 2.497 N/A ARG 224.A NH1 TYR 18.A O no hydrogen 3.151 N/A LYS 226.A NZ MET 42.A O no hydrogen 3.065 N/A GLU 230.A N ALA 227.A O no hydrogen 3.322 N/A TYR 237.A N VAL 656.A O no hydrogen 2.650 N/A HIS 239.A N ILE 658.A O no hydrogen 2.495 N/A HIS 239.A NE2 HIS 657.A ND1 no hydrogen 3.062 N/A VAL 241.A N ARG 660.A O no hydrogen 2.842 N/A CYS 243.A N VAL 662.A O no hydrogen 3.278 N/A SER 246.A N GLN 249.A OE1 no hydrogen 2.873 N/A LYS 247.A NZ LYS 247.A O no hydrogen 2.836 N/A ARG 250.A N SER 246.A O no hydrogen 2.591 N/A PHE 251.A N LYS 247.A O no hydrogen 2.919 N/A LEU 252.A N ARG 248.A O no hydrogen 2.890 N/A TYR 253.A N GLN 249.A O no hydrogen 2.887 N/A ASP 254.A N ARG 250.A O no hydrogen 2.929 N/A ASP 255.A N PHE 251.A O no hydrogen 2.892 N/A PHE 256.A N LEU 252.A O no hydrogen 2.895 N/A MET 257.A N TYR 253.A O no hydrogen 2.922 N/A SER 258.A N ASP 254.A O no hydrogen 2.912 N/A SER 258.A OG ASP 254.A O no hydrogen 2.960 N/A SER 258.A OG ASP 255.A O no hydrogen 2.526 N/A ARG 259.A N ASP 255.A O no hydrogen 2.899 N/A ALA 260.A N PHE 256.A O no hydrogen 2.868 N/A GLN 261.A N MET 257.A O no hydrogen 2.891 N/A THR 262.A N SER 258.A O no hydrogen 2.911 N/A THR 262.A OG1 ARG 259.A O no hydrogen 2.258 N/A LYS 263.A N ARG 259.A O no hydrogen 2.724 N/A ALA 264.A N GLN 261.A O no hydrogen 2.984 N/A THR 265.A N ALA 260.A O no hydrogen 2.305 N/A THR 265.A OG1 ALA 264.A O no hydrogen 2.479 N/A GLY 269.A N LEU 266.A O no hydrogen 3.169 N/A ASN 270.A N SER 273.A OG no hydrogen 3.279 N/A SER 273.A N ASN 270.A OD1 no hydrogen 2.614 N/A SER 273.A OG LEU 266.A O no hydrogen 2.970 N/A SER 273.A OG ASN 270.A O no hydrogen 2.983 N/A ILE 274.A N ASN 270.A O no hydrogen 3.362 N/A VAL 275.A N PHE 271.A O no hydrogen 2.915 N/A ASN 276.A N MET 272.A O no hydrogen 2.891 N/A CYS 277.A N SER 273.A O no hydrogen 2.947 N/A CYS 277.A SG THR 265.A O no hydrogen 3.854 N/A LEU 278.A N ILE 274.A O no hydrogen 2.922 N/A MET 279.A N VAL 275.A O no hydrogen 2.845 N/A GLN 280.A N ASN 276.A O no hydrogen 2.929 N/A LEU 281.A N CYS 277.A O no hydrogen 2.989 N/A ARG 282.A N LEU 278.A O no hydrogen 2.846 N/A LYS 283.A N MET 279.A O no hydrogen 2.862 N/A LYS 283.A NZ GLN 280.A OE1 no hydrogen 3.188 N/A VAL 284.A N GLN 280.A O no hydrogen 2.948 N/A CYS 285.A N LEU 281.A O no hydrogen 2.925 N/A CYS 285.A SG LEU 281.A O no hydrogen 3.444 N/A ASN 286.A N ARG 282.A O no hydrogen 3.481 N/A HIS 287.A N ASN 286.A OD1 no hydrogen 2.809 N/A HIS 287.A NE2 GLU 292.A OE2 no hydrogen 2.594 N/A ASN 289.A N HIS 287.A O no hydrogen 2.472 N/A ARG 294.A NH1 ASP 536.A OD2 no hydrogen 3.127 N/A SER 299.A OG PRO 477.A O no hydrogen 2.492 N/A SER 299.A OG SER 478.A O no hydrogen 2.805 N/A PHE 300.A N SER 478.A O no hydrogen 2.454 N/A CYS 305.A SG LEU 482.A O no hydrogen 3.245 N/A SER 308.A N CYS 305.A O no hydrogen 2.535 N/A SER 308.A OG HIS 304.A O no hydrogen 3.282 N/A SER 308.A OG CYS 305.A O no hydrogen 2.378 N/A ASP 309.A N VAL 306.A O no hydrogen 3.297 N/A TYR 310.A N ALA 307.A O no hydrogen 3.073 N/A LYS 311.A N SER 308.A O no hydrogen 3.050 N/A GLU 314.A N TYR 310.A O no hydrogen 2.930 N/A ARG 315.A N LYS 311.A O no hydrogen 2.900 N/A ARG 315.A NH2 ASP 312.A OD1 no hydrogen 3.544 N/A THR 316.A N ASP 312.A O no hydrogen 2.905 N/A THR 316.A OG1 ASP 312.A O no hydrogen 2.874 N/A THR 316.A OG1 VAL 313.A O no hydrogen 2.636 N/A LEU 317.A N VAL 313.A O no hydrogen 2.920 N/A LEU 318.A N GLU 314.A O no hydrogen 2.906 N/A LYS 319.A N ARG 315.A O no hydrogen 2.895 N/A LYS 319.A NZ LYS 319.A O no hydrogen 2.752 N/A LEU 320.A N THR 316.A O no hydrogen 2.900 N/A PHE 321.A N LEU 317.A O no hydrogen 2.898 N/A LYS 322.A N LYS 319.A O no hydrogen 3.211 N/A ASN 328.A N ASN 325.A O no hydrogen 2.872 N/A PHE 334.A N ASP 331.A OD1 no hydrogen 3.172 N/A ASN 336.A N ASP 333.A O no hydrogen 3.211 N/A ASN 336.A ND2 ASP 423.A O no hydrogen 3.161 N/A LEU 341.A N VAL 338.A O no hydrogen 3.490 N/A ASN 342.A N PHE 339.A O no hydrogen 2.968 N/A ASN 342.A ND2 PHE 428.A O no hydrogen 3.227 N/A LYS 344.A N LEU 341.A O no hydrogen 3.422 N/A LEU 346.A N ASN 342.A O no hydrogen 3.233 N/A ALA 351.A N THR 347.A O no hydrogen 3.178 N/A GLU 352.A N SER 348.A O no hydrogen 2.913 N/A GLU 353.A N TYR 349.A O no hydrogen 2.895 N/A ILE 354.A N HIS 350.A O no hydrogen 2.879 N/A SER 355.A N ALA 351.A O no hydrogen 2.912 N/A LYS 356.A N GLU 352.A O no hydrogen 2.909 N/A LYS 356.A NZ GLU 353.A OE2 no hydrogen 2.722 N/A LEU 357.A N GLU 353.A O no hydrogen 2.777 N/A LYS 361.A NZ VAL 360.A O no hydrogen 3.028 N/A GLU 366.A N ASN 362.A O no hydrogen 2.944 N/A VAL 367.A N PHE 363.A O no hydrogen 2.855 N/A ASN 368.A N VAL 364.A O no hydrogen 2.911 N/A LYS 369.A N GLU 365.A O no hydrogen 2.913 N/A LEU 370.A N GLU 366.A O no hydrogen 2.919 N/A ARG 371.A N VAL 367.A O no hydrogen 2.843 N/A GLU 372.A N ASN 368.A O no hydrogen 2.949 N/A THR 373.A OG1 LEU 370.A O no hydrogen 2.957 N/A THR 373.A OG1 ASN 374.A OD1 no hydrogen 3.514 N/A ASN 374.A N LEU 370.A O no hydrogen 2.925 N/A LYS 375.A N ARG 371.A O no hydrogen 2.832 N/A GLN 376.A N GLU 372.A O no hydrogen 2.963 N/A LEU 377.A N THR 373.A O no hydrogen 2.905 N/A GLN 378.A N ASN 374.A O no hydrogen 2.860 N/A GLU 379.A N LYS 375.A O no hydrogen 2.901 N/A GLU 380.A N GLN 376.A O no hydrogen 2.913 N/A PHE 381.A N LEU 377.A O no hydrogen 2.932 N/A GLY 382.A N GLN 378.A O no hydrogen 2.859 N/A SER 385.A OG GLY 382.A O no hydrogen 3.559 N/A ASP 391.A N LEU 387.A O no hydrogen 3.088 N/A ALA 392.A N PHE 389.A O no hydrogen 3.355 N/A LYS 397.A NZ ALA 384.A O no hydrogen 3.536 N/A TYR 398.A N GLN 394.A O no hydrogen 3.339 N/A SER 399.A OG TYR 395.A O no hydrogen 3.005 N/A ASN 400.A N PHE 396.A O no hydrogen 2.943 N/A LYS 401.A N LYS 397.A O no hydrogen 2.909 N/A GLN 402.A N TYR 398.A O no hydrogen 2.899 N/A LYS 403.A N SER 399.A O no hydrogen 2.902 N/A LEU 404.A N ASN 400.A O no hydrogen 2.934 N/A GLU 405.A N LYS 401.A O no hydrogen 2.919 N/A GLY 406.A N GLN 402.A O no hydrogen 2.874 N/A THR 407.A N LYS 403.A O no hydrogen 2.930 N/A THR 407.A OG1 ASN 374.A OD1 no hydrogen 2.472 N/A VAL 408.A N LEU 404.A O no hydrogen 2.953 N/A ASP 409.A N GLU 405.A O no hydrogen 2.927 N/A MET 410.A N GLY 406.A O no hydrogen 2.927 N/A LEU 411.A N THR 407.A O no hydrogen 2.941 N/A ASN 412.A N VAL 408.A O no hydrogen 2.949 N/A PHE 413.A N ASP 409.A O no hydrogen 2.902 N/A LEU 414.A N MET 410.A O no hydrogen 2.869 N/A LYS 415.A N LEU 411.A O no hydrogen 2.938 N/A LYS 415.A NZ ASN 412.A OD1 no hydrogen 2.589 N/A MET 416.A N ASN 412.A O no hydrogen 2.951 N/A VAL 417.A N PHE 413.A O no hydrogen 2.907 N/A ASN 418.A N LEU 414.A O no hydrogen 2.862 N/A LYS 419.A N LYS 415.A O no hydrogen 2.944 N/A LEU 420.A N MET 416.A O no hydrogen 2.924 N/A ARG 421.A N VAL 417.A O no hydrogen 2.876 N/A CYS 422.A N ASN 418.A O no hydrogen 2.907 N/A ASP 423.A N LYS 419.A O no hydrogen 2.916 N/A ARG 424.A N LEU 420.A O no hydrogen 2.908 N/A ILE 427.A N ARG 425.A O no hydrogen 2.490 N/A ASN 431.A N ASP 343.A OD1 no hydrogen 2.918 N/A ASN 431.A N ASP 343.A OD2 no hydrogen 3.031 N/A LYS 438.A N ASP 434.A O no hydrogen 2.888 N/A ASP 439.A N LEU 435.A O no hydrogen 2.937 N/A ASP 439.A N LEU 436.A O no hydrogen 3.195 N/A ARG 440.A N LEU 436.A O no hydrogen 2.904 N/A ARG 441.A N THR 437.A O no hydrogen 2.862 N/A SER 447.A OG ASP 445.A OD1 no hydrogen 2.369 N/A LEU 454.A N ILE 450.A O no hydrogen 2.912 N/A LEU 454.A N ASP 451.A O no hydrogen 3.149 N/A ILE 455.A N ASP 451.A O no hydrogen 2.895 N/A LYS 456.A NZ GLU 453.A O no hydrogen 3.203 N/A THR 460.A OG1 PRO 457.A O no hydrogen 2.427 N/A ARG 461.A N PRO 457.A O no hydrogen 3.168 N/A ARG 461.A NH2 ILE 455.A O no hydrogen 3.400 N/A VAL 462.A N LEU 458.A O no hydrogen 2.913 N/A LEU 463.A N GLN 459.A O no hydrogen 2.889 N/A ASP 464.A N THR 460.A O no hydrogen 2.917 N/A ILE 469.A N ASN 465.A O no hydrogen 3.157 N/A ASP 470.A N ARG 466.A O no hydrogen 2.893 N/A THR 471.A N LYS 467.A O no hydrogen 2.916 N/A THR 471.A OG1 LYS 467.A O no hydrogen 2.553 N/A THR 471.A OG1 ILE 468.A O no hydrogen 2.985 N/A PHE 472.A N ILE 468.A O no hydrogen 2.910 N/A THR 476.A OG1 LEU 297.A O no hydrogen 3.536 N/A MET 484.A N SER 481.A O no hydrogen 3.425 N/A ALA 488.A N MET 484.A O no hydrogen 2.853 N/A LEU 489.A N ARG 485.A O no hydrogen 2.946 N/A GLY 490.A N LEU 487.A O no hydrogen 3.012 N/A LEU 491.A N LYS 486.A O no hydrogen 3.064 N/A THR 501.A OG1 GLY 498.A O no hydrogen 2.926 N/A ARG 502.A N GLY 498.A O no hydrogen 3.031 N/A ARG 502.A NE GLY 498.A O no hydrogen 3.489 N/A ARG 502.A NH1 ASP 493.A O no hydrogen 2.659 N/A ARG 502.A NH2 VAL 497.A O no hydrogen 2.807 N/A LEU 503.A N GLU 499.A O no hydrogen 2.891 N/A LYS 504.A N ASN 500.A O no hydrogen 2.911 N/A LYS 504.A NZ ASN 500.A O no hydrogen 2.924 N/A VAL 505.A N THR 501.A O no hydrogen 2.925 N/A MET 506.A N ARG 502.A O no hydrogen 2.928 N/A GLN 507.A N LEU 503.A O no hydrogen 2.903 N/A ASN 508.A N LYS 504.A O no hydrogen 2.899 N/A CYS 509.A N VAL 505.A O no hydrogen 2.933 N/A CYS 509.A SG VAL 505.A O no hydrogen 3.240 N/A PHE 510.A N MET 506.A O no hydrogen 2.859 N/A GLU 511.A N GLN 507.A O no hydrogen 2.936 N/A ASN 514.A ND2 GLN 520.A OE1 no hydrogen 3.462 N/A GLN 520.A N LEU 516.A O no hydrogen 2.877 N/A THR 521.A N HIS 517.A O no hydrogen 2.901 N/A THR 521.A OG1 HIS 517.A O no hydrogen 3.098 N/A THR 521.A OG1 GLN 518.A O no hydrogen 2.676 N/A LYS 522.A N GLN 518.A O no hydrogen 2.927 N/A LYS 522.A NZ ASP 470.A OD2 no hydrogen 2.622 N/A LEU 523.A N LEU 519.A O no hydrogen 2.894 N/A THR 524.A N GLN 520.A O no hydrogen 2.907 N/A THR 524.A OG1 GLN 520.A O no hydrogen 2.624 N/A ILE 525.A N THR 521.A O no hydrogen 3.222 N/A LYS 530.A N ASP 529.A OD1 no hydrogen 2.506 N/A SER 531.A N ASP 529.A OD1 no hydrogen 3.495 N/A SER 531.A OG TYR 576.A OH no hydrogen 3.064 N/A LEU 533.A N LYS 530.A O no hydrogen 3.189 N/A TYR 535.A N LEU 532.A O no hydrogen 3.172 N/A ASP 536.A N LEU 532.A O no hydrogen 3.130 N/A CYS 537.A SG HIS 287.A ND1 no hydrogen 2.674 N/A CYS 537.A SG LEU 533.A O no hydrogen 3.288 N/A GLY 538.A N GLN 249.A OE1 no hydrogen 2.855 N/A GLN 541.A N CYS 537.A O no hydrogen 3.033 N/A GLN 541.A N GLY 538.A O no hydrogen 3.212 N/A GLN 541.A NE2 TYR 535.A O no hydrogen 2.782 N/A LEU 543.A N LEU 540.A O no hydrogen 3.411 N/A LEU 547.A N LEU 543.A O no hydrogen 2.922 N/A GLN 548.A N ALA 544.A O no hydrogen 2.896 N/A GLN 548.A NE2 ASP 552.A OD1 no hydrogen 3.294 N/A GLN 549.A N ILE 545.A O no hydrogen 2.904 N/A LEU 550.A N LEU 546.A O no hydrogen 2.898 N/A LYS 551.A N LEU 547.A O no hydrogen 2.888 N/A ASP 552.A N GLN 548.A O no hydrogen 2.936 N/A ASN 553.A N GLN 549.A O no hydrogen 3.241 N/A GLY 554.A N LYS 551.A O no hydrogen 3.223 N/A HIS 555.A N LEU 550.A O no hydrogen 3.021 N/A ALA 557.A N THR 607.A O no hydrogen 3.077 N/A LEU 558.A N THR 627.A O no hydrogen 2.630 N/A ILE 559.A N PHE 609.A O no hydrogen 3.147 N/A PHE 560.A N ILE 629.A O no hydrogen 3.010 N/A VAL 566.A N MET 563.A O no hydrogen 3.453 N/A LEU 567.A N THR 564.A O no hydrogen 3.221 N/A VAL 569.A N ASP 568.A OD1 no hydrogen 2.628 N/A LEU 570.A N VAL 566.A O no hydrogen 2.892 N/A GLU 571.A N LEU 567.A O no hydrogen 2.891 N/A GLN 572.A N ASP 568.A O no hydrogen 2.893 N/A PHE 573.A N VAL 569.A O no hydrogen 2.902 N/A LEU 574.A N LEU 570.A O no hydrogen 2.897 N/A ASN 575.A N GLU 571.A O no hydrogen 2.896 N/A TYR 576.A N GLN 572.A O no hydrogen 2.893 N/A HIS 577.A N PHE 573.A O no hydrogen 2.915 N/A HIS 577.A NE2 GLN 534.A OE1 no hydrogen 3.012 N/A GLY 578.A N ASN 575.A O no hydrogen 3.121 N/A TYR 579.A N LEU 574.A O no hydrogen 2.968 N/A TYR 581.A OH ASN 575.A OD1 no hydrogen 2.505 N/A LEU 584.A N ILE 610.A O no hydrogen 3.223 N/A ASP 585.A N THR 588.A OG1 no hydrogen 3.174 N/A THR 588.A N ASP 585.A O no hydrogen 3.370 N/A THR 588.A N ASP 585.A OD1 no hydrogen 3.132 N/A THR 588.A OG1 ASP 585.A O no hydrogen 2.300 N/A ARG 593.A N ILE 590.A O no hydrogen 3.223 N/A ARG 593.A NE LYS 589.A O no hydrogen 3.526 N/A ARG 593.A NH1 SER 74.A OG no hydrogen 3.163 N/A GLN 594.A NE2 ASN 78.A OD1 no hydrogen 2.324 N/A LEU 596.A N ASP 592.A O no hydrogen 2.885 N/A THR 597.A N ARG 593.A O no hydrogen 2.934 N/A THR 597.A OG1 ARG 593.A O no hydrogen 3.412 N/A GLU 598.A N GLN 594.A O no hydrogen 2.913 N/A ARG 599.A N ILE 595.A O no hydrogen 2.872 N/A PHE 600.A N LEU 596.A O no hydrogen 2.955 N/A ASN 601.A N THR 597.A O no hydrogen 2.903 N/A ASN 601.A ND2 ASN 621.A O no hydrogen 3.173 N/A THR 602.A N GLU 598.A O no hydrogen 2.959 N/A THR 602.A OG1 GLU 598.A O no hydrogen 2.837 N/A THR 602.A OG1 ARG 599.A O no hydrogen 2.843 N/A SER 604.A OG ARG 599.A O no hydrogen 3.512 N/A SER 604.A OG ASP 603.A O no hydrogen 2.621 N/A THR 607.A N LEU 580.A O no hydrogen 3.329 N/A PHE 609.A N ALA 557.A O no hydrogen 3.321 N/A ILE 610.A N MET 582.A O no hydrogen 3.520 N/A LEU 611.A N ILE 559.A O no hydrogen 2.844 N/A SER 613.A OG THR 561.A O no hydrogen 2.309 N/A SER 613.A OG GLN 562.A OE1 no hydrogen 2.462 N/A THR 623.A N ASN 601.A OD1 no hydrogen 2.488 N/A THR 623.A OG1 ASN 601.A OD1 no hydrogen 2.921 N/A GLY 624.A N ASN 601.A OD1 no hydrogen 3.031 N/A ASP 626.A N ARG 556.A O no hydrogen 2.988 N/A THR 627.A OG1 ARG 556.A O no hydrogen 2.989 N/A VAL 628.A N HIS 657.A O no hydrogen 3.066 N/A ILE 629.A N LEU 558.A O no hydrogen 2.589 N/A PHE 630.A N TYR 659.A O no hydrogen 3.077 N/A TYR 631.A N PHE 560.A O no hydrogen 3.309 N/A SER 633.A OG ASP 632.A O no hydrogen 2.717 N/A SER 633.A OG ASP 640.A OD1 no hydrogen 3.530 N/A ASP 634.A N ASP 634.A OD1 no hydrogen 2.380 N/A GLN 642.A N ALA 638.A O no hydrogen 2.532 N/A CYS 643.A N MET 639.A O no hydrogen 2.860 N/A CYS 643.A SG GLY 617.A O no hydrogen 3.218 N/A CYS 643.A SG MET 639.A O no hydrogen 3.190 N/A GLN 644.A N ASP 640.A O no hydrogen 2.917 N/A GLN 644.A NE2 LYS 641.A O no hydrogen 2.801 N/A ASP 645.A N LYS 641.A O no hydrogen 2.908 N/A ARG 646.A N CYS 643.A O no hydrogen 3.228 N/A ARG 646.A NE ILE 620.A O no hydrogen 2.272 N/A ARG 646.A NH1 GLN 642.A OE1 no hydrogen 2.333 N/A ARG 646.A NH2 ILE 620.A O no hydrogen 3.027 N/A CYS 647.A SG ALA 625.A O no hydrogen 3.139 N/A ARG 649.A N CYS 647.A O no hydrogen 2.834 N/A GLN 652.A N ARG 649.A O no hydrogen 3.125 N/A ARG 654.A N GLN 652.A OE1 no hydrogen 2.588 N/A ARG 654.A NE GLN 652.A OE1 no hydrogen 2.651 N/A ARG 654.A NH2 GLY 624.A O no hydrogen 3.382 N/A ARG 654.A NH2 GLN 652.A OE1 no hydrogen 2.987 N/A VAL 656.A N ALA 235.A O no hydrogen 2.933 N/A HIS 657.A N ASP 626.A O no hydrogen 3.314 N/A HIS 657.A ND1 HIS 239.A NE2 no hydrogen 3.062 N/A ILE 658.A N TYR 237.A O no hydrogen 2.703 N/A TYR 659.A N VAL 628.A O no hydrogen 2.872 N/A ARG 660.A N HIS 239.A O no hydrogen 2.913 N/A ARG 660.A NE GLU 238.A OE2 no hydrogen 2.986 N/A ARG 660.A NH1 ASP 640.A OD1 no hydrogen 3.229 N/A ARG 660.A NH2 GLU 238.A OE2 no hydrogen 3.123 N/A ARG 660.A NH2 ASP 640.A OD2 no hydrogen 3.359 N/A PHE 661.A N PHE 630.A O no hydrogen 2.954 N/A VAL 662.A N VAL 241.A O no hydrogen 3.028 N/A SER 663.A N GLU 668.A OE2 no hydrogen 2.511 N/A SER 663.A OG CYS 243.A O no hydrogen 3.143 N/A SER 663.A OG GLU 664.A O no hydrogen 3.536 N/A THR 666.A N SER 669.A OG no hydrogen 2.709 N/A SER 669.A OG THR 666.A O no hydrogen 2.426 N/A SER 669.A OG ASN 670.A OD1 no hydrogen 3.251 N/A ASN 670.A N THR 666.A O no hydrogen 3.159 N/A ILE 671.A N ILE 667.A O no hydrogen 2.874 N/A LEU 672.A N GLU 668.A O no hydrogen 2.899 N/A LYS 673.A N SER 669.A O no hydrogen 2.912 N/A LYS 674.A N ASN 670.A O no hydrogen 2.891 N/A LYS 674.A NZ VAL 685.A O no hydrogen 2.444 N/A ALA 675.A N ILE 671.A O no hydrogen 2.889 N/A ASN 676.A N LEU 672.A O no hydrogen 2.895 N/A GLN 677.A N LYS 673.A O no hydrogen 2.913 N/A LYS 678.A N LYS 674.A O no hydrogen 2.850 N/A LYS 678.A NZ ASP 682.A O no hydrogen 3.071 N/A ARG 679.A N ASN 676.A O no hydrogen 3.440 N/A GLN 680.A N ALA 675.A O no hydrogen 2.412 N/A