Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u8v_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N SER 1.A OG no hydrogen 2.462 N/A GLN 5.A N SER 1.A O no hydrogen 2.996 N/A ARG 6.A N GLY 2.A O no hydrogen 2.902 N/A LEU 7.A N GLN 3.A O no hydrogen 2.932 N/A LEU 8.A N GLN 4.A O no hydrogen 2.903 N/A ALA 9.A N GLN 5.A O no hydrogen 2.899 N/A PHE 10.A N ARG 6.A O no hydrogen 2.884 N/A PHE 11.A N LEU 7.A O no hydrogen 2.923 N/A LYS 12.A N LEU 8.A O no hydrogen 2.922 N/A LYS 12.A NZ GLN 346.A OE1 no hydrogen 2.493 N/A CYS 13.A N ALA 9.A O no hydrogen 2.886 N/A CYS 14.A N PHE 10.A O no hydrogen 2.901 N/A CYS 14.A SG PHE 10.A O no hydrogen 3.257 N/A CYS 14.A SG PHE 11.A O no hydrogen 3.356 N/A LEU 15.A N PHE 11.A O no hydrogen 2.962 N/A LEU 16.A N CYS 13.A O no hydrogen 2.914 N/A THR 17.A N CYS 13.A O no hydrogen 3.012 N/A THR 17.A OG1 CYS 14.A O no hydrogen 3.277 N/A GLN 19.A N CYS 14.A O no hydrogen 3.017 N/A GLN 19.A NE2 PRO 250.A O no hydrogen 3.269 N/A ALA 23.A N GLN 19.A O no hydrogen 2.793 N/A HIS 30.A N LEU 26.A O no hydrogen 2.909 N/A HIS 31.A N LEU 27.A O no hydrogen 2.879 N/A GLY 32.A N VAL 28.A O no hydrogen 2.938 N/A GLN 33.A N VAL 29.A O no hydrogen 3.267 N/A GLN 33.A N HIS 30.A O no hydrogen 3.183 N/A ARG 37.A N ARG 34.A O no hydrogen 3.386 N/A VAL 48.A N MET 44.A O no hydrogen 3.166 N/A MET 49.A N TYR 45.A O no hydrogen 2.953 N/A LEU 50.A N ASN 46.A O no hydrogen 2.853 N/A GLY 51.A N ALA 47.A O no hydrogen 2.919 N/A TRP 52.A N VAL 48.A O no hydrogen 2.882 N/A ALA 53.A N MET 49.A O no hydrogen 2.907 N/A ARG 54.A N GLY 51.A O no hydrogen 3.251 N/A LEU 65.A N LEU 61.A O no hydrogen 3.258 N/A PHE 66.A N VAL 62.A O no hydrogen 2.914 N/A MET 67.A N TYR 63.A O no hydrogen 2.913 N/A VAL 68.A N VAL 64.A O no hydrogen 2.931 N/A LYS 69.A N LEU 65.A O no hydrogen 2.903 N/A ASP 70.A N PHE 66.A O no hydrogen 2.905 N/A ALA 71.A N MET 67.A O no hydrogen 2.907 N/A GLY 72.A N VAL 68.A O no hydrogen 2.891 N/A GLY 72.A N LYS 69.A O no hydrogen 3.163 N/A LEU 78.A N PRO 75.A O no hydrogen 3.270 N/A ALA 82.A N LEU 78.A O no hydrogen 3.342 N/A ALA 83.A N SER 79.A O no hydrogen 2.911 N/A LEU 84.A N TYR 80.A O no hydrogen 2.901 N/A GLN 85.A N ALA 81.A O no hydrogen 2.896 N/A CYS 86.A N ALA 82.A O no hydrogen 2.909 N/A CYS 86.A SG ALA 82.A O no hydrogen 3.259 N/A CYS 86.A SG ALA 83.A O no hydrogen 3.222 N/A MET 87.A N LEU 84.A O no hydrogen 3.296 N/A ARG 89.A NH2 GLU 123.A OE2 no hydrogen 2.434 N/A GLN 92.A NE2 MET 87.A O no hydrogen 2.638 N/A THR 96.A OG1 GLY 95.A O no hydrogen 2.587 N/A CYS 100.A N THR 96.A O no hydrogen 3.116 N/A LEU 101.A N ILE 97.A O no hydrogen 2.896 N/A GLU 102.A N GLU 98.A O no hydrogen 2.884 N/A GLN 103.A N ARG 99.A O no hydrogen 2.896 N/A MET 104.A N CYS 100.A O no hydrogen 2.911 N/A SER 105.A N LEU 101.A O no hydrogen 2.882 N/A SER 105.A OG LEU 101.A O no hydrogen 2.728 N/A GLN 106.A N GLU 102.A O no hydrogen 2.702 N/A LEU 109.A N GLN 106.A O no hydrogen 3.302 N/A THR 116.A OG1 ALA 113.A O no hydrogen 3.515 N/A ALA 117.A N ALA 113.A O no hydrogen 3.214 N/A VAL 118.A N LEU 114.A O no hydrogen 3.042 N/A ASP 124.A N SER 121.A OG no hydrogen 3.266 N/A ARG 125.A N SER 121.A O no hydrogen 2.887 N/A ALA 126.A N GLU 122.A O no hydrogen 2.902 N/A THR 127.A N GLU 123.A O no hydrogen 2.911 N/A THR 127.A OG1 GLU 123.A O no hydrogen 2.610 N/A VAL 128.A N ASP 124.A O no hydrogen 2.904 N/A LEU 129.A N ARG 125.A O no hydrogen 2.909 N/A LYS 130.A N ALA 126.A O no hydrogen 2.891 N/A ALA 131.A N THR 127.A O no hydrogen 2.910 N/A VAL 132.A N VAL 128.A O no hydrogen 2.906 N/A HIS 133.A N LEU 129.A O no hydrogen 2.895 N/A HIS 133.A NE2 PHE 139.A O no hydrogen 2.466 N/A LYS 134.A N LYS 130.A O no hydrogen 2.914 N/A VAL 135.A N VAL 132.A O no hydrogen 3.227 N/A LYS 136.A N VAL 132.A O no hydrogen 2.951 N/A THR 151.A OG1 VAL 149.A O no hydrogen 3.311 N/A SER 152.A N ASN 150.A OD1 no hydrogen 2.955 N/A SER 152.A OG ASN 150.A OD1 no hydrogen 2.885 N/A ARG 156.A NE THR 151.A O no hydrogen 3.016 N/A ARG 156.A NE SER 152.A O no hydrogen 3.401 N/A ARG 156.A NH2 THR 151.A O no hydrogen 3.030 N/A TYR 159.A OH ASP 478.A OD2 no hydrogen 3.113 N/A ALA 160.A N ASP 157.A O no hydrogen 3.479 N/A SER 166.A N ARG 901.A O no hydrogen 3.325 N/A LYS 169.A NZ CYS 316.A O no hydrogen 3.314 N/A LYS 169.A NZ LEU 317.A O no hydrogen 2.895 N/A LYS 169.A NZ ALA 319.A O no hydrogen 2.989 N/A LYS 169.A NZ ALA 322.A O no hydrogen 3.460 N/A LEU 170.A N LEU 318.A O no hydrogen 2.913 N/A GLN 178.A N LEU 174.A O no hydrogen 2.958 N/A CYS 179.A N LYS 175.A O no hydrogen 2.978 N/A CYS 179.A SG LYS 175.A O no hydrogen 3.506 N/A LEU 180.A N THR 176.A O no hydrogen 2.927 N/A PHE 181.A N LEU 177.A O no hydrogen 2.927 N/A GLU 182.A N GLN 178.A O no hydrogen 2.993 N/A LYS 183.A N CYS 179.A O no hydrogen 2.920 N/A LYS 183.A NZ CYS 179.A O no hydrogen 3.293 N/A GLN 184.A N LEU 180.A O no hydrogen 2.983 N/A GLN 184.A NE2 GLU 188.A OE2 no hydrogen 3.082 N/A LEU 185.A N PHE 181.A O no hydrogen 2.934 N/A HIS 186.A N GLU 182.A O no hydrogen 2.986 N/A MET 187.A N LYS 183.A O no hydrogen 2.911 N/A GLU 188.A N GLN 184.A O no hydrogen 2.880 N/A GLU 188.A N LEU 185.A O no hydrogen 3.204 N/A LEU 189.A N LEU 185.A O no hydrogen 2.970 N/A VAL 193.A N PHE 422.A O no hydrogen 3.085 N/A VAL 195.A N LEU 420.A O no hydrogen 2.710 N/A SER 197.A N PRO 418.A O no hydrogen 2.509 N/A GLU 199.A N SER 197.A OG no hydrogen 3.371 N/A SER 205.A OG GLU 207.A OE1 no hydrogen 2.627 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.900 N/A LYS 209.A N SER 205.A O no hydrogen 3.293 N/A LYS 209.A NZ SER 205.A O no hydrogen 2.998 N/A HIS 210.A N LYS 206.A O no hydrogen 2.914 N/A ALA 211.A N GLU 207.A O no hydrogen 2.858 N/A ARG 212.A N VAL 208.A O no hydrogen 2.933 N/A LYS 213.A N LYS 209.A O no hydrogen 2.855 N/A THR 214.A N HIS 210.A O no hydrogen 2.907 N/A LEU 215.A N ALA 211.A O no hydrogen 2.884 N/A LYS 216.A N ARG 212.A O no hydrogen 2.909 N/A THR 217.A N LYS 213.A O no hydrogen 2.968 N/A THR 217.A OG1 GLN 221.A OE1 no hydrogen 2.977 N/A LEU 218.A N THR 214.A O no hydrogen 2.893 N/A ARG 219.A N LEU 215.A O no hydrogen 2.892 N/A ARG 219.A NH2 GLN 269.A OE1 no hydrogen 2.441 N/A ASP 220.A N LYS 216.A O no hydrogen 2.963 N/A GLN 221.A N THR 217.A O no hydrogen 2.959 N/A TRP 222.A N LEU 218.A O no hydrogen 2.858 N/A GLU 223.A N ARG 219.A O no hydrogen 2.898 N/A LYS 224.A N ASP 220.A O no hydrogen 3.024 N/A ALA 225.A N GLN 221.A O no hydrogen 2.944 N/A LEU 226.A N TRP 222.A O no hydrogen 2.812 N/A CYS 227.A N GLU 223.A O no hydrogen 2.965 N/A ARG 228.A N LYS 224.A O no hydrogen 2.985 N/A ALA 229.A N ALA 225.A O no hydrogen 2.871 N/A LEU 230.A N LEU 226.A O no hydrogen 2.918 N/A ARG 231.A N CYS 227.A O no hydrogen 2.985 N/A GLU 232.A N ARG 228.A O no hydrogen 2.920 N/A THR 233.A N ALA 229.A O no hydrogen 2.907 N/A THR 233.A OG1 ALA 229.A O no hydrogen 2.600 N/A LYS 234.A N LEU 230.A O no hydrogen 2.924 N/A ASN 235.A N ARG 231.A O no hydrogen 2.958 N/A ARG 236.A N GLU 232.A O no hydrogen 2.916 N/A LEU 237.A N THR 233.A O no hydrogen 2.885 N/A GLU 238.A N LYS 234.A O no hydrogen 2.940 N/A ARG 239.A N ARG 236.A O no hydrogen 3.328 N/A GLY 244.A N VAL 241.A O no hydrogen 3.102 N/A CYS 253.A N TYR 249.A O no hydrogen 2.820 N/A CYS 253.A SG TYR 249.A O no hydrogen 3.260 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.748 N/A ARG 258.A N ASP 256.A OD1 no hydrogen 3.176 N/A VAL 260.A N ASP 256.A O no hydrogen 3.199 N/A VAL 261.A N GLU 257.A O no hydrogen 2.911 N/A ARG 262.A N ARG 258.A O no hydrogen 2.924 N/A MET 263.A N GLU 259.A O no hydrogen 2.978 N/A LEU 264.A N VAL 260.A O no hydrogen 2.924 N/A LEU 265.A N VAL 261.A O no hydrogen 2.903 N/A GLN 266.A N ARG 262.A O no hydrogen 2.950 N/A VAL 267.A N MET 263.A O no hydrogen 2.921 N/A LEU 271.A N LEU 268.A O no hydrogen 3.370 N/A GLN 274.A N GLN 274.A OE1 no hydrogen 2.974 N/A GLU 276.A N LEU 402.A O no hydrogen 3.358 N/A LEU 281.A N SER 277.A O no hydrogen 3.087 N/A ALA 282.A N PHE 278.A O no hydrogen 2.990 N/A ARG 283.A N THR 279.A O no hydrogen 2.921 N/A GLU 284.A N THR 280.A O no hydrogen 2.914 N/A LEU 285.A N LEU 281.A O no hydrogen 2.948 N/A SER 286.A N ALA 282.A O no hydrogen 3.027 N/A SER 286.A OG ALA 282.A O no hydrogen 3.119 N/A SER 286.A OG ARG 283.A O no hydrogen 2.816 N/A ALA 287.A N ARG 283.A O no hydrogen 2.933 N/A ARG 288.A N GLU 284.A O no hydrogen 2.930 N/A ARG 288.A NH1 GLU 423.A OE1 no hydrogen 2.838 N/A THR 289.A N LEU 285.A O no hydrogen 2.967 N/A THR 289.A OG1 LEU 285.A O no hydrogen 2.924 N/A PHE 290.A N SER 286.A O no hydrogen 2.993 N/A SER 291.A N ALA 287.A O no hydrogen 2.944 N/A ARG 292.A N ARG 288.A O no hydrogen 2.914 N/A HIS 293.A N THR 289.A O no hydrogen 2.911 N/A VAL 294.A N PHE 290.A O no hydrogen 2.991 N/A GLN 296.A N ARG 292.A O no hydrogen 2.967 N/A ARG 297.A N HIS 293.A O no hydrogen 2.888 N/A GLN 298.A N VAL 294.A O no hydrogen 2.941 N/A GLN 298.A NE2 LEU 445.A O no hydrogen 3.407 N/A ARG 299.A N VAL 295.A O no hydrogen 2.924 N/A ARG 299.A N GLN 296.A O no hydrogen 3.224 N/A VAL 300.A N GLN 296.A O no hydrogen 2.958 N/A SER 301.A OG ARG 297.A O no hydrogen 3.075 N/A SER 301.A OG GLN 298.A O no hydrogen 3.375 N/A GLN 303.A NE2 GLU 341.A O no hydrogen 3.700 N/A LEU 307.A N GLN 303.A O no hydrogen 2.937 N/A GLN 308.A N VAL 304.A O no hydrogen 2.877 N/A ASN 309.A N GLN 305.A O no hydrogen 2.937 N/A HIS 310.A N ALA 306.A O no hydrogen 2.950 N/A TYR 311.A N LEU 307.A O no hydrogen 2.859 N/A TYR 311.A OH PRO 432.A O no hydrogen 2.317 N/A ARG 312.A N GLN 308.A O no hydrogen 2.908 N/A LYS 313.A N ASN 309.A O no hydrogen 2.979 N/A TYR 314.A N HIS 310.A O no hydrogen 2.860 N/A LEU 315.A N TYR 311.A O no hydrogen 2.886 N/A CYS 316.A N LYS 313.A O no hydrogen 3.437 N/A CYS 316.A SG ARG 312.A O no hydrogen 4.011 N/A CYS 316.A SG LYS 313.A O no hydrogen 3.781 N/A LEU 317.A N TYR 314.A O no hydrogen 3.240 N/A LEU 318.A N LEU 315.A O no hydrogen 3.149 N/A ALA 319.A N LEU 315.A O no hydrogen 2.966 N/A SER 320.A N LEU 172.A O no hydrogen 3.333 N/A CYS 328.A SG GLU 326.A O no hydrogen 4.029 N/A CYS 328.A SG LEU 329.A O no hydrogen 3.820 N/A LEU 329.A N GLN 332.A OE1 no hydrogen 3.366 N/A ARG 331.A NE ASP 478.A OD1 no hydrogen 2.700 N/A ARG 331.A NH2 ASP 478.A OD1 no hydrogen 3.491 N/A ARG 331.A NH2 ASP 478.A OD2 no hydrogen 3.156 N/A TYR 333.A N LEU 329.A O no hydrogen 3.047 N/A TRP 334.A N PRO 330.A O no hydrogen 2.945 N/A GLU 335.A N ARG 331.A O no hydrogen 2.886 N/A ALA 336.A N GLN 332.A O no hydrogen 2.943 N/A GLN 353.A N LEU 350.A O no hydrogen 2.947 N/A MET 354.A N LEU 350.A O no hydrogen 2.932 N/A LYS 358.A N MET 354.A O no hydrogen 2.963 N/A LEU 359.A N GLU 355.A O no hydrogen 2.920 N/A LEU 360.A N LEU 356.A O no hydrogen 2.943 N/A ALA 361.A N GLY 357.A O no hydrogen 2.951 N/A GLU 362.A N LYS 358.A O no hydrogen 2.923 N/A MET 363.A N LEU 359.A O no hydrogen 2.911 N/A LEU 364.A N LEU 360.A O no hydrogen 2.961 N/A THR 368.A OG1 LEU 364.A O no hydrogen 3.059 N/A CYS 372.A N MET 370.A O no hydrogen 2.677 N/A CYS 372.A SG SER 380.A OG no hydrogen 3.066 N/A ARG 382.A NH2 LEU 383.A O no hydrogen 3.435 N/A VAL 384.A N MET 370.A O no hydrogen 3.185 N/A VAL 386.A N THR 368.A O no hydrogen 3.448 N/A TYR 388.A N LYS 403.A O no hydrogen 3.083 N/A VAL 390.A N ILE 401.A O no hydrogen 3.238 N/A SER 392.A N ILE 399.A O no hydrogen 3.170 N/A SER 392.A OG PHE 393.A O no hydrogen 3.545 N/A ARG 394.A N GLN 397.A O no hydrogen 3.281 N/A ARG 394.A NH2 SER 277.A OG no hydrogen 2.304 N/A GLN 397.A N ARG 394.A O no hydrogen 3.275 N/A ILE 399.A N SER 392.A O no hydrogen 2.933 N/A ILE 401.A N VAL 390.A O no hydrogen 2.990 N/A LEU 402.A N GLU 276.A O no hydrogen 3.014 N/A LYS 403.A N TYR 388.A O no hydrogen 3.078 N/A VAL 409.A N HIS 405.A O no hydrogen 3.321 N/A GLN 410.A N PRO 406.A O no hydrogen 2.932 N/A LEU 411.A N ALA 407.A O no hydrogen 2.899 N/A LEU 412.A N TYR 408.A O no hydrogen 2.926 N/A GLU 413.A N VAL 409.A O no hydrogen 2.924 N/A LYS 414.A N GLN 410.A O no hydrogen 3.263 N/A LYS 414.A N LEU 411.A O no hydrogen 3.279 N/A LEU 420.A N VAL 195.A O no hydrogen 2.559 N/A PHE 422.A N VAL 193.A O no hydrogen 3.031 N/A ASP 426.A N GLU 423.A O no hydrogen 3.267 N/A VAL 427.A N ALA 424.A O no hydrogen 3.435 N/A MET 429.A N TRP 576.A O no hydrogen 3.212 N/A CYS 431.A SG GLN 184.A OE1 no hydrogen 3.309 N/A CYS 431.A SG PRO 432.A O no hydrogen 3.605 N/A LEU 434.A N ALA 443.A O no hydrogen 3.111 N/A TRP 436.A N THR 481.A OG1 no hydrogen 2.981 N/A SER 441.A OG THR 437.A OG1 no hydrogen 3.375 N/A SER 447.A OG PRO 448.A O no hydrogen 3.536 N/A LYS 450.A NZ THR 454.A O no hydrogen 3.241 N/A ARG 453.A N MET 581.A O no hydrogen 2.940 N/A ARG 453.A NH2 PRO 589.A O no hydrogen 2.633 N/A THR 454.A OG1 GLY 457.A O no hydrogen 3.349 N/A GLN 460.A N GLN 460.A OE1 no hydrogen 2.829 N/A GLN 462.A NE2 GLU 466.A OE2 no hydrogen 2.847 N/A GLU 463.A N THR 459.A O no hydrogen 3.222 N/A LEU 464.A N GLN 460.A O no hydrogen 2.924 N/A LEU 465.A N HIS 461.A O no hydrogen 2.929 N/A GLU 466.A N GLN 462.A O no hydrogen 2.930 N/A THR 467.A N GLU 463.A O no hydrogen 2.913 N/A THR 467.A OG1 GLU 463.A O no hydrogen 2.325 N/A CYS 468.A N LEU 464.A O no hydrogen 3.475 N/A CYS 468.A SG LEU 465.A O no hydrogen 3.469 N/A CYS 468.A SG PRO 469.A O no hydrogen 3.311 N/A ALA 472.A N PRO 469.A O no hydrogen 3.373 N/A LEU 473.A N PRO 470.A O no hydrogen 3.418 N/A ALA 476.A N LEU 473.A O no hydrogen 3.215 N/A LEU 477.A N LEU 473.A O no hydrogen 3.007 N/A ASP 478.A N HIS 474.A O no hydrogen 2.938 N/A LEU 480.A N ALA 476.A O no hydrogen 2.986 N/A THR 481.A N LEU 477.A O no hydrogen 2.972 N/A THR 481.A OG1 LEU 477.A O no hydrogen 2.899 N/A GLN 482.A N ASP 478.A O no hydrogen 2.923 N/A GLN 482.A NE2 ALA 896.A O no hydrogen 3.581 N/A LEU 483.A N ALA 479.A O no hydrogen 2.952 N/A GLY 484.A N LEU 480.A O no hydrogen 2.948 N/A ASN 485.A N GLN 482.A O no hydrogen 3.410 N/A TRP 488.A N PHE 575.A O no hydrogen 2.924 N/A ARG 489.A N GLU 607.A O no hydrogen 3.017 N/A ASN 491.A N LEU 605.A O no hydrogen 3.168 N/A ARG 493.A NH2 ALA 656.A O no hydrogen 2.895 N/A ASP 496.A N GLY 492.A O no hydrogen 2.950 N/A LEU 497.A N ARG 493.A O no hydrogen 2.994 N/A VAL 498.A N VAL 494.A O no hydrogen 2.896 N/A LEU 499.A N LEU 495.A O no hydrogen 2.926 N/A GLN 500.A N ASP 496.A O no hydrogen 2.954 N/A LEU 501.A N LEU 497.A O no hydrogen 2.982 N/A PHE 502.A N VAL 498.A O no hydrogen 2.863 N/A GLN 503.A N LEU 499.A O no hydrogen 2.960 N/A GLN 503.A NE2 VAL 198.A O no hydrogen 2.677 N/A GLY 506.A N LEU 501.A O no hydrogen 3.133 N/A LEU 510.A N CYS 507.A O no hydrogen 3.190 N/A SER 517.A OG GLU 518.A OE1 no hydrogen 3.524 N/A GLU 518.A N PRO 515.A O no hydrogen 3.309 N/A ALA 519.A N PRO 516.A O no hydrogen 3.292 N/A ALA 531.A N HIS 529.A O no hydrogen 2.977 N/A ARG 535.A N ALA 532.A O no hydrogen 3.091 N/A LYS 536.A NZ LEU 527.A O no hydrogen 2.358 N/A GLU 538.A N ALA 534.A O no hydrogen 3.323 N/A LEU 539.A N ARG 535.A O no hydrogen 2.905 N/A ARG 540.A N LYS 536.A O no hydrogen 2.946 N/A ARG 541.A N ALA 537.A O no hydrogen 2.906 N/A GLU 542.A N GLU 538.A O no hydrogen 2.912 N/A LEU 543.A N LEU 539.A O no hydrogen 2.906 N/A ALA 544.A N ARG 540.A O no hydrogen 2.952 N/A ALA 550.A N CYS 546.A O no hydrogen 2.938 N/A ARG 551.A N GLN 547.A O no hydrogen 2.930 N/A ARG 551.A NE GLN 547.A O no hydrogen 3.087 N/A GLU 552.A N LYS 548.A O no hydrogen 2.967 N/A MET 553.A N VAL 549.A O no hydrogen 2.926 N/A HIS 554.A N ALA 550.A O no hydrogen 2.939 N/A SER 555.A N ARG 551.A O no hydrogen 3.018 N/A SER 555.A OG ARG 551.A O no hydrogen 3.431 N/A LEU 556.A N GLU 552.A O no hydrogen 3.020 N/A ARG 557.A N MET 553.A O no hydrogen 2.969 N/A ARG 557.A NE GLU 199.A OE2 no hydrogen 3.296 N/A ARG 557.A NH2 GLU 199.A OE2 no hydrogen 2.887 N/A ARG 557.A NH2 PHE 502.A O no hydrogen 3.161 N/A ALA 558.A N HIS 554.A O no hydrogen 2.966 N/A GLU 559.A N SER 555.A O no hydrogen 3.084 N/A ALA 560.A N LEU 556.A O no hydrogen 3.023 N/A LEU 561.A N ARG 557.A O no hydrogen 2.908 N/A TYR 562.A N ALA 558.A O no hydrogen 3.045 N/A ARG 563.A N GLU 559.A O no hydrogen 3.049 N/A ARG 563.A NH1 GLU 559.A OE1 no hydrogen 2.793 N/A ARG 563.A NH2 GLU 559.A OE1 no hydrogen 2.912 N/A LEU 564.A N ALA 560.A O no hydrogen 2.929 N/A SER 565.A N LEU 561.A O no hydrogen 2.938 N/A SER 565.A OG VAL 196.A O no hydrogen 2.813 N/A LEU 566.A N TYR 562.A O no hydrogen 3.059 N/A ALA 567.A N ARG 563.A O no hydrogen 2.966 N/A GLN 568.A N LEU 564.A O no hydrogen 2.892 N/A HIS 569.A N SER 565.A O no hydrogen 3.000 N/A ARG 571.A NH1 ASP 496.A OD1 no hydrogen 3.182 N/A ARG 571.A NH2 ASP 496.A OD1 no hydrogen 2.661 N/A ARG 571.A NH2 GLN 568.A OE1 no hydrogen 3.266 N/A PHE 575.A N TRP 488.A O no hydrogen 3.297 N/A TRP 576.A N MET 429.A O no hydrogen 2.791 N/A ASN 580.A N TYR 588.A O no hydrogen 2.915 N/A MET 581.A N LEU 451.A O no hydrogen 3.279 N/A ASP 582.A N ARG 586.A O no hydrogen 3.011 N/A TYR 588.A N ASN 580.A O no hydrogen 3.217 N/A TYR 588.A OH ASP 582.A OD2 no hydrogen 3.139 N/A CYS 590.A SG ASN 580.A OD1 no hydrogen 2.634 N/A ASN 595.A ND2 PRO 591.A O no hydrogen 2.313 N/A ASN 595.A ND2 PRO 592.A O no hydrogen 3.499 N/A LEU 597.A N ASN 595.A OD1 no hydrogen 3.234 N/A ARG 603.A N SER 599.A O no hydrogen 3.219 N/A ARG 603.A N ASP 600.A O no hydrogen 3.171 N/A ARG 603.A NE HIS 596.A O no hydrogen 2.658 N/A ARG 603.A NH2 HIS 596.A O no hydrogen 3.350 N/A ALA 604.A N ASP 600.A O no hydrogen 2.918 N/A GLU 607.A N ARG 489.A O no hydrogen 2.919 N/A PHE 608.A N HIS 697.A O no hydrogen 3.068 N/A ALA 609.A N ALA 487.A O no hydrogen 3.417 N/A GLN 610.A NE2 LYS 169.A O no hydrogen 3.329 N/A ARG 612.A N SER 696.A O no hydrogen 3.407 N/A LEU 614.A N TYR 694.A O no hydrogen 3.129 N/A GLY 615.A N ALA 692.A O no hydrogen 3.343 N/A LEU 622.A N GLY 618.A O no hydrogen 3.444 N/A LYS 623.A N LEU 619.A O no hydrogen 3.003 N/A LYS 623.A NZ GLU 646.A OE1 no hydrogen 2.984 N/A LYS 623.A NZ GLU 646.A OE2 no hydrogen 2.874 N/A ILE 624.A N ASP 620.A O no hydrogen 2.932 N/A HIS 625.A N TRP 621.A O no hydrogen 2.895 N/A LEU 626.A N LEU 622.A O no hydrogen 2.917 N/A VAL 627.A N LYS 623.A O no hydrogen 2.999 N/A ASN 628.A N ILE 624.A O no hydrogen 2.913 N/A LEU 629.A N HIS 625.A O no hydrogen 2.882 N/A THR 630.A N LEU 626.A O no hydrogen 2.958 N/A THR 630.A OG1 LEU 626.A O no hydrogen 3.228 N/A GLY 631.A N VAL 627.A O no hydrogen 3.243 N/A ARG 635.A NH1 SER 738.A OG no hydrogen 2.942 N/A ARG 641.A N PRO 637.A O no hydrogen 3.164 N/A ARG 641.A NE GLU 636.A O no hydrogen 2.897 N/A ARG 641.A NH1 ASN 628.A OD1 no hydrogen 3.421 N/A ARG 641.A NH2 GLU 636.A O no hydrogen 2.775 N/A LEU 642.A N LEU 638.A O no hydrogen 2.917 N/A ALA 643.A N ARG 639.A O no hydrogen 2.924 N/A PHE 644.A N ARG 641.A O no hydrogen 3.160 N/A GLU 647.A N PHE 644.A O no hydrogen 3.105 N/A VAL 648.A N ALA 645.A O no hydrogen 3.344 N/A ILE 652.A N VAL 648.A O no hydrogen 2.933 N/A LEU 653.A N MET 649.A O no hydrogen 2.907 N/A ASP 654.A N ASP 650.A O no hydrogen 2.896 N/A SER 655.A N ASP 651.A O no hydrogen 2.919 N/A SER 655.A OG ASP 651.A O no hydrogen 2.925 N/A ALA 656.A N ILE 652.A O no hydrogen 2.905 N/A ASP 657.A N LEU 653.A O no hydrogen 2.937 N/A GLN 658.A N ASP 654.A O no hydrogen 3.296 N/A LYS 664.A NZ GLY 662.A O no hydrogen 3.269 N/A GLU 670.A N THR 630.A O no hydrogen 3.471 N/A TRP 673.A N ASP 600.A OD2 no hydrogen 3.249 N/A GLN 674.A N ASP 600.A OD1 no hydrogen 3.376 N/A THR 675.A N GLU 671.A O no hydrogen 3.155 N/A THR 675.A OG1 GLU 671.A O no hydrogen 2.450 N/A LEU 676.A N PRO 672.A O no hydrogen 2.918 N/A ALA 677.A N TRP 673.A O no hydrogen 2.968 N/A CYS 678.A N GLN 674.A O no hydrogen 2.953 N/A CYS 678.A SG LEU 622.A O no hydrogen 3.843 N/A CYS 679.A N THR 675.A O no hydrogen 2.863 N/A CYS 679.A SG THR 675.A O no hydrogen 3.174 N/A MET 680.A N LEU 676.A O no hydrogen 2.963 N/A GLU 681.A N ALA 677.A O no hydrogen 3.018 N/A VAL 682.A N CYS 678.A O no hydrogen 2.894 N/A ALA 683.A N CYS 679.A O no hydrogen 2.914 N/A ASN 684.A N MET 680.A O no hydrogen 2.996 N/A ASN 684.A ND2 MET 680.A O no hydrogen 2.424 N/A ALA 685.A N GLU 681.A O no hydrogen 2.950 N/A VAL 686.A N VAL 682.A O no hydrogen 2.870 N/A ARG 687.A N ALA 683.A O no hydrogen 2.984 N/A ARG 687.A NH1 ASP 657.A OD1 no hydrogen 3.051 N/A ARG 687.A NH2 ASP 657.A OD2 no hydrogen 3.052 N/A ALA 688.A N VAL 686.A O no hydrogen 2.808 N/A ALA 693.A N ASP 690.A O no hydrogen 3.141 N/A TYR 694.A N PRO 691.A O no hydrogen 3.220 N/A SER 696.A N ARG 612.A O no hydrogen 3.289 N/A SER 696.A OG ARG 612.A O no hydrogen 3.569 N/A HIS 697.A ND1 PHE 608.A O no hydrogen 2.538 N/A VAL 700.A N THR 915.A O no hydrogen 2.782 N/A GLN 702.A N TYR 913.A O no hydrogen 2.988 N/A GLY 704.A N ASP 911.A O no hydrogen 3.140 N/A GLY 704.A N ASP 911.A OD2 no hydrogen 3.304 N/A CYS 706.A SG TYR 737.A OH no hydrogen 2.965 N/A GLN 710.A N CYS 706.A O no hydrogen 2.933 N/A GLN 710.A NE2 VAL 725.A O no hydrogen 2.908 N/A GLN 710.A NE2 PHE 988.A O no hydrogen 3.615 N/A ALA 714.A N HIS 711.A O no hydrogen 3.174 N/A LEU 715.A N HIS 711.A O no hydrogen 3.096 N/A ASP 718.A N ALA 713.A O no hydrogen 3.351 N/A VAL 725.A N GLY 721.A O no hydrogen 3.148 N/A ASN 726.A N ALA 723.A O no hydrogen 3.434 N/A ASN 726.A ND2 GLN 734.A OE1 no hydrogen 3.280 N/A LEU 727.A N ALA 722.A O no hydrogen 2.894 N/A GLN 734.A N ASN 726.A OD1 no hydrogen 3.271 N/A GLY 739.A N ASP 735.A O no hydrogen 3.203 N/A VAL 740.A N VAL 736.A O no hydrogen 3.063 N/A VAL 744.A N VAL 740.A O no hydrogen 3.084 N/A GLU 745.A N ALA 741.A O no hydrogen 2.871 N/A VAL 746.A N GLN 743.A O no hydrogen 3.090 N/A ARG 748.A NH2 GLU 763.A OE1 no hydrogen 2.644 N/A GLN 750.A N PHE 747.A O no hydrogen 2.808 N/A ARG 754.A N ASP 751.A O no hydrogen 2.845 N/A GLY 755.A N ASP 751.A O no hydrogen 3.388 N/A GLN 760.A N MET 756.A O no hydrogen 3.402 N/A GLN 760.A NE2 MET 756.A O no hydrogen 3.150 N/A VAL 761.A N ARG 757.A O no hydrogen 3.165 N/A LYS 772.A N LYS 769.A O no hydrogen 3.312 N/A THR 774.A OG1 GLN 790.A OE1 no hydrogen 2.449 N/A VAL 775.A N VAL 771.A O no hydrogen 2.980 N/A MET 776.A N LYS 772.A O no hydrogen 2.933 N/A THR 777.A N GLN 773.A O no hydrogen 2.954 N/A GLY 787.A N THR 783.A O no hydrogen 3.179 N/A ARG 788.A N ARG 784.A O no hydrogen 2.938 N/A LEU 789.A N TYR 785.A O no hydrogen 2.981 N/A GLN 790.A N GLY 786.A O no hydrogen 2.894 N/A ILE 791.A N GLY 787.A O no hydrogen 2.940 N/A GLU 792.A N ARG 788.A O no hydrogen 2.970 N/A LEU 795.A N ILE 791.A O no hydrogen 3.024 N/A ARG 796.A N LYS 793.A O no hydrogen 2.983 N/A PHE 805.A N GLN 803.A O no hydrogen 3.031 N/A SER 810.A N VAL 806.A O no hydrogen 3.191 N/A SER 810.A OG ARG 784.A O no hydrogen 3.161 N/A HIS 811.A N TRP 807.A O no hydrogen 3.323 N/A TYR 812.A N GLU 808.A O no hydrogen 3.035 N/A LEU 813.A N ALA 809.A O no hydrogen 3.438 N/A VAL 814.A N SER 810.A O no hydrogen 3.254 N/A GLN 816.A N HIS 811.A O no hydrogen 2.931 N/A VAL 817.A N TYR 812.A O no hydrogen 2.899 N/A PHE 818.A N ARG 815.A O no hydrogen 3.078 N/A SER 820.A OG GLN 743.A OE1 no hydrogen 2.475 N/A LEU 821.A N VAL 817.A O no hydrogen 2.249 N/A GLN 822.A N PHE 818.A O no hydrogen 2.438 N/A GLU 823.A N LYS 819.A O no hydrogen 2.468 N/A MET 824.A N SER 820.A O no hydrogen 2.413 N/A PHE 825.A N LEU 821.A O no hydrogen 2.300 N/A GLN 832.A N THR 828.A O no hydrogen 3.474 N/A HIS 833.A N ARG 829.A O no hydrogen 2.912 N/A TRP 834.A N ALA 830.A O no hydrogen 2.844 N/A TRP 834.A NE1 THR 967.A O no hydrogen 3.059 N/A LEU 835.A N ILE 831.A O no hydrogen 2.789 N/A THR 836.A OG1 GLN 832.A O no hydrogen 2.317 N/A GLU 837.A N HIS 833.A O no hydrogen 2.890 N/A SER 838.A N TRP 834.A O no hydrogen 2.954 N/A ALA 839.A N LEU 835.A O no hydrogen 2.916 N/A ARG 840.A N THR 836.A O no hydrogen 2.915 N/A LEU 841.A N GLU 837.A O no hydrogen 2.965 N/A ILE 842.A N SER 838.A O no hydrogen 2.937 N/A SER 843.A N ALA 839.A O no hydrogen 2.906 N/A SER 843.A OG ALA 839.A O no hydrogen 2.729 N/A HIS 844.A N ARG 840.A O no hydrogen 2.941 N/A MET 845.A N ILE 842.A O no hydrogen 3.216 N/A GLY 846.A N SER 843.A O no hydrogen 3.031 N/A SER 847.A OG VAL 848.A O no hydrogen 3.296 N/A TRP 851.A N VAL 859.A O no hydrogen 3.113 N/A THR 853.A N VAL 857.A O no hydrogen 2.895 N/A THR 853.A OG1 VAL 857.A O no hydrogen 2.969 N/A GLY 856.A N THR 853.A OG1 no hydrogen 3.251 N/A VAL 857.A N THR 853.A OG1 no hydrogen 2.776 N/A VAL 859.A N TRP 851.A O no hydrogen 2.976 N/A GLN 861.A NE2 GLN 875.A O no hydrogen 3.596 N/A ARG 864.A NH1 ARG 868.A O no hydrogen 3.316 N/A LEU 865.A N LYS 869.A O no hydrogen 2.667 N/A LYS 874.A N ASN 871.A OD1 no hydrogen 3.256 N/A GLN 875.A N ASN 871.A O no hydrogen 3.153 N/A LYS 876.A N THR 872.A O no hydrogen 2.939 N/A LYS 876.A NZ ASN 877.A OD1 no hydrogen 3.243 N/A ASN 877.A N ARG 873.A O no hydrogen 2.934 N/A ASN 882.A N GLY 878.A O no hydrogen 3.085 N/A ASN 882.A ND2 GLN 861.A OE1 no hydrogen 3.291 N/A PHE 883.A N PRO 880.A O no hydrogen 3.399 N/A SER 886.A OG PHE 883.A O no hydrogen 2.953 N/A ASP 888.A N ILE 884.A O no hydrogen 3.061 N/A SER 889.A OG GLY 585.A O no hydrogen 2.478 N/A SER 890.A N SER 886.A O no hydrogen 2.970 N/A SER 890.A OG SER 886.A O no hydrogen 2.936 N/A HIS 891.A N LEU 887.A O no hydrogen 2.965 N/A MET 892.A N ASP 888.A O no hydrogen 2.983 N/A MET 893.A N SER 889.A O no hydrogen 2.939 N/A LEU 894.A N SER 890.A O no hydrogen 2.990 N/A THR 895.A N HIS 891.A O no hydrogen 2.976 N/A THR 895.A OG1 HIS 891.A O no hydrogen 2.737 N/A ALA 896.A N MET 892.A O no hydrogen 2.943 N/A LEU 897.A N MET 893.A O no hydrogen 2.946 N/A HIS 898.A N LEU 894.A O no hydrogen 3.010 N/A HIS 898.A ND1 LEU 894.A O no hydrogen 3.140 N/A HIS 898.A NE2 ASP 157.A OD2 no hydrogen 2.475 N/A CYS 899.A N THR 895.A O no hydrogen 2.891 N/A TYR 900.A N ALA 896.A O no hydrogen 2.962 N/A GLY 903.A N TYR 900.A O no hydrogen 3.197 N/A VAL 907.A N TRP 914.A O no hydrogen 3.353 N/A VAL 909.A N CYS 912.A O no hydrogen 2.909 N/A HIS 910.A NE2 THR 587.A O no hydrogen 2.767 N/A CYS 912.A N VAL 909.A O no hydrogen 3.218 N/A CYS 912.A SG GLN 702.A O no hydrogen 3.582 N/A TYR 913.A N GLN 702.A O no hydrogen 2.807 N/A TRP 914.A N VAL 907.A O no hydrogen 2.946 N/A THR 915.A N VAL 700.A O no hydrogen 3.099 N/A THR 915.A OG1 THR 905.A O no hydrogen 3.086 N/A HIS 916.A NE2 GLN 610.A O no hydrogen 3.227 N/A ASP 919.A N HIS 916.A O no hydrogen 3.352 N/A ASN 924.A N VAL 920.A O no hydrogen 2.958 N/A GLN 925.A N SER 921.A O no hydrogen 2.958 N/A VAL 926.A N VAL 922.A O no hydrogen 2.960 N/A CYS 927.A N MET 923.A O no hydrogen 2.980 N/A CYS 927.A SG HIS 891.A NE2 no hydrogen 3.130 N/A ARG 928.A NE SER 985.A O no hydrogen 2.586 N/A ARG 928.A NH1 ASN 924.A O no hydrogen 3.183 N/A ARG 928.A NH2 SER 985.A O no hydrogen 3.026 N/A ARG 928.A NH2 SER 990.A OG no hydrogen 3.080 N/A GLU 929.A N GLN 925.A O no hydrogen 3.017 N/A GLN 930.A N VAL 926.A O no hydrogen 2.934 N/A PHE 931.A N CYS 927.A O no hydrogen 3.009 N/A ARG 933.A N GLU 929.A O no hydrogen 3.025 N/A ARG 933.A NH1 ASP 157.A OD1 no hydrogen 2.765 N/A LEU 934.A N GLN 930.A O no hydrogen 2.880 N/A HIS 935.A N PHE 931.A O no hydrogen 2.952 N/A SER 936.A OG VAL 932.A O no hydrogen 2.357 N/A LEU 943.A N ILE 939.A O no hydrogen 3.029 N/A SER 944.A N LEU 940.A O no hydrogen 2.897 N/A SER 944.A OG LEU 940.A O no hydrogen 2.719 N/A ARG 945.A N GLN 941.A O no hydrogen 2.907 N/A PHE 946.A N ASP 942.A O no hydrogen 2.924 N/A LEU 947.A N LEU 943.A O no hydrogen 2.927 N/A VAL 948.A N SER 944.A O no hydrogen 2.904 N/A LYS 949.A N ARG 945.A O no hydrogen 2.941 N/A ARG 950.A N PHE 946.A O no hydrogen 2.905 N/A ARG 950.A NH1 ARG 950.A O no hydrogen 3.277 N/A PHE 951.A N LEU 947.A O no hydrogen 2.948 N/A CYS 952.A N VAL 948.A O no hydrogen 2.826 N/A SER 953.A OG LYS 949.A O no hydrogen 2.541 N/A SER 962.A N ILE 958.A O no hydrogen 2.904 N/A SER 962.A OG ILE 958.A O no hydrogen 2.613 N/A SER 962.A OG LEU 959.A O no hydrogen 2.634 N/A GLN 963.A N LEU 959.A O no hydrogen 2.932 N/A LEU 964.A N GLU 960.A O no hydrogen 2.915 N/A LYS 965.A N ALA 961.A O no hydrogen 2.883 N/A GLU 966.A N SER 962.A O no hydrogen 2.925 N/A THR 967.A N GLN 963.A O no hydrogen 2.946 N/A THR 967.A OG1 GLN 963.A O no hydrogen 2.854 N/A THR 967.A OG1 LEU 964.A O no hydrogen 2.824 N/A LEU 968.A N LEU 964.A O no hydrogen 2.927 N/A GLN 969.A N LYS 965.A O no hydrogen 2.888 N/A GLU 980.A N ASP 978.A OD2 no hydrogen 3.139 N/A LYS 983.A NZ GLU 929.A OE1 no hydrogen 2.421 N/A SER 985.A N VAL 982.A O no hydrogen 3.183 N/A SER 985.A OG VAL 982.A O no hydrogen 2.609 N/A TYR 987.A OH ASP 731.A O no hydrogen 2.834 N/A SER 990.A OG THR 986.A O no hydrogen 2.683 N/A