Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6zqb_UL.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH ASP 607.A OD1 no hydrogen 2.801 N/A ARG 3.A N THR 651.A O no hydrogen 2.937 N/A GLU 5.A N GLU 649.A O no hydrogen 2.950 N/A GLN 6.A NE2 ALA 8.A O no hydrogen 3.433 N/A ALA 7.A N ILE 647.A O no hydrogen 2.832 N/A PHE 10.A N ILE 645.A O no hydrogen 3.237 N/A SER 15.A N SER 31.A O no hydrogen 3.488 N/A SER 15.A OG ALA 14.A O no hydrogen 2.689 N/A SER 15.A OG ASN 339.A OD1 no hydrogen 3.563 N/A ASN 18.A ND2 LEU 72.A O no hydrogen 3.695 N/A CYS 19.A N SER 319.A OG no hydrogen 3.200 N/A CYS 19.A SG SER 319.A OG no hydrogen 2.809 N/A CYS 19.A SG THR 335.A OG1 no hydrogen 3.746 N/A VAL 20.A N ILE 29.A O no hydrogen 3.234 N/A ILE 22.A N GLN 27.A O no hydrogen 3.116 N/A LEU 28.A N TRP 39.A O no hydrogen 2.843 N/A ILE 29.A N VAL 20.A O no hydrogen 3.093 N/A THR 30.A N ASN 37.A O no hydrogen 2.902 N/A THR 30.A OG1 ILE 13.A O no hydrogen 2.654 N/A SER 31.A OG ALA 32.A O no hydrogen 2.779 N/A SER 31.A OG CYS 69.A O no hydrogen 3.448 N/A ASN 37.A N THR 30.A O no hydrogen 2.914 N/A ILE 38.A N SER 48.A O no hydrogen 3.319 N/A TRP 39.A N LEU 28.A O no hydrogen 2.983 N/A ILE 41.A N GLY 26.A O no hydrogen 3.261 N/A LYS 42.A NZ ASP 40.A OD1 no hydrogen 3.004 N/A THR 43.A N ASP 40.A OD2 no hydrogen 2.401 N/A THR 43.A OG1 ASP 40.A OD2 no hydrogen 2.396 N/A THR 43.A OG1 ASP 45.A OD1 no hydrogen 2.883 N/A GLY 44.A N ASP 40.A O no hydrogen 3.035 N/A VAL 47.A N ILE 38.A O no hydrogen 2.834 N/A SER 48.A OG VAL 47.A O no hydrogen 2.890 N/A LEU 50.A N ASP 35.A OD1 no hydrogen 3.161 N/A SER 51.A OG ASP 52.A O no hydrogen 3.527 N/A GLY 53.A N ASP 52.A OD1 no hydrogen 2.796 N/A ALA 61.A N ALA 58.A O no hydrogen 2.673 N/A ALA 64.A N ARG 62.A O no hydrogen 3.034 N/A THR 70.A N GLY 84.A O no hydrogen 2.953 N/A TYR 71.A N GLY 84.A O no hydrogen 3.020 N/A GLU 73.A N ALA 82.A O no hydrogen 2.959 N/A HIS 75.A N LEU 80.A O no hydrogen 2.912 N/A HIS 75.A ND1 THR 78.A OG1 no hydrogen 2.353 N/A THR 78.A N HIS 75.A ND1 no hydrogen 3.031 N/A THR 78.A OG1 HIS 75.A ND1 no hydrogen 2.353 N/A LEU 80.A N HIS 75.A O no hydrogen 2.947 N/A LEU 81.A N TRP 93.A O no hydrogen 3.006 N/A ALA 82.A N GLU 73.A O no hydrogen 2.954 N/A VAL 83.A N LYS 91.A O no hydrogen 2.845 N/A GLY 84.A N TYR 71.A O no hydrogen 2.789 N/A TYR 85.A N VAL 89.A O no hydrogen 2.879 N/A ALA 86.A N GLU 68.A O no hydrogen 2.803 N/A VAL 89.A N TYR 85.A O no hydrogen 3.045 N/A ILE 90.A N PHE 104.A O no hydrogen 2.882 N/A LYS 91.A N VAL 83.A O no hydrogen 2.901 N/A VAL 92.A N LEU 102.A O no hydrogen 3.430 N/A TRP 93.A N LEU 81.A O no hydrogen 2.857 N/A ASP 94.A N THR 99.A O no hydrogen 2.839 N/A SER 97.A N ASP 94.A OD2 no hydrogen 2.418 N/A LYS 98.A NZ SER 48.A OG no hydrogen 2.653 N/A LEU 101.A N VAL 92.A O no hydrogen 3.357 N/A HIS 107.A NE2 SER 125.A OG no hydrogen 2.734 N/A THR 112.A N GLY 126.A O no hydrogen 2.871 N/A THR 112.A OG1 GLY 126.A O no hydrogen 2.317 N/A THR 112.A OG1 ILE 153.A O no hydrogen 3.551 N/A LEU 113.A N GLY 126.A O no hydrogen 2.891 N/A GLN 115.A N ILE 124.A O no hydrogen 2.920 N/A ASP 117.A N ARG 122.A O no hydrogen 2.863 N/A GLY 118.A N HIS 75.A NE2 no hydrogen 3.141 N/A THR 121.A OG1 GLY 120.A O no hydrogen 2.500 N/A ARG 122.A N ASP 117.A O no hydrogen 2.772 N/A LEU 123.A N TRP 135.A O no hydrogen 2.868 N/A ILE 124.A N GLN 115.A O no hydrogen 2.922 N/A SER 125.A N ILE 133.A O no hydrogen 3.007 N/A SER 125.A OG HIS 107.A NE2 no hydrogen 2.734 N/A GLY 126.A N LEU 113.A O no hydrogen 2.846 N/A SER 127.A OG HIS 107.A ND1 no hydrogen 2.739 N/A SER 127.A OG ASP 129.A O no hydrogen 2.788 N/A SER 127.A OG ASP 129.A OD1 no hydrogen 2.884 N/A LYS 128.A N ALA 110.A O no hydrogen 2.482 N/A ILE 132.A N LEU 146.A O no hydrogen 2.926 N/A ILE 133.A N SER 125.A O no hydrogen 2.907 N/A VAL 134.A N TYR 144.A O no hydrogen 2.947 N/A TRP 135.A N LEU 123.A O no hydrogen 2.866 N/A LEU 137.A N THR 121.A O no hydrogen 2.847 N/A VAL 138.A N THR 121.A OG1 no hydrogen 3.393 N/A TYR 144.A N VAL 134.A O no hydrogen 3.015 N/A LEU 146.A N ILE 132.A O no hydrogen 2.860 N/A HIS 149.A NE2 SER 166.A OG no hydrogen 2.673 N/A SER 152.A OG LYS 128.A O no hydrogen 3.346 N/A SER 152.A OG ILE 153.A O no hydrogen 3.061 N/A THR 154.A N THR 167.A O no hydrogen 2.847 N/A THR 154.A OG1 TRP 195.A O no hydrogen 2.225 N/A GLY 155.A N THR 167.A O no hydrogen 3.059 N/A TRP 157.A N ILE 165.A O no hydrogen 2.901 N/A CYS 158.A SG GLY 160.A O no hydrogen 3.410 N/A GLN 159.A N TRP 163.A O no hydrogen 2.937 N/A ASP 162.A N GLN 159.A O no hydrogen 3.233 N/A TRP 163.A N GLN 159.A O no hydrogen 3.131 N/A LEU 164.A N TRP 176.A O no hydrogen 3.081 N/A ILE 165.A N TRP 157.A O no hydrogen 3.069 N/A SER 166.A N LYS 174.A O no hydrogen 2.950 N/A SER 166.A OG HIS 149.A NE2 no hydrogen 2.673 N/A SER 166.A OG LYS 174.A O no hydrogen 3.363 N/A THR 167.A N GLY 155.A O no hydrogen 2.721 N/A THR 167.A OG1 GLY 155.A O no hydrogen 3.260 N/A SER 168.A OG HIS 149.A ND1 no hydrogen 2.437 N/A MET 172.A N ASP 170.A O no hydrogen 2.556 N/A ILE 173.A N HIS 187.A O no hydrogen 2.848 N/A LYS 174.A N SER 166.A O no hydrogen 2.929 N/A LYS 174.A NZ SER 148.A O no hydrogen 3.282 N/A LYS 174.A NZ SER 148.A OG no hydrogen 2.693 N/A LEU 175.A N GLU 185.A O no hydrogen 2.906 N/A TRP 176.A N LEU 164.A O no hydrogen 2.934 N/A TRP 176.A NE1 SER 166.A OG no hydrogen 3.097 N/A ASP 177.A N GLN 182.A O no hydrogen 2.912 N/A LEU 178.A N ASP 162.A O no hydrogen 2.954 N/A LYS 179.A N ASP 177.A OD1 no hydrogen 3.067 N/A HIS 181.A N ASP 177.A O no hydrogen 2.834 N/A GLN 182.A N ASP 177.A O no hydrogen 2.879 N/A CYS 183.A SG GLU 185.A O no hydrogen 3.886 N/A CYS 183.A SG THR 186.A OG1 no hydrogen 3.511 N/A ILE 184.A N LEU 175.A O no hydrogen 2.940 N/A GLU 185.A N LEU 175.A O no hydrogen 3.174 N/A HIS 187.A N ILE 173.A O no hydrogen 2.947 N/A ALA 189.A N GLY 171.A O no hydrogen 2.816 N/A CYS 194.A SG SER 168.A O no hydrogen 3.193 N/A GLY 196.A N THR 207.A OG1 no hydrogen 3.049 N/A ALA 198.A N ILE 205.A O no hydrogen 3.217 N/A LYS 200.A N LEU 203.A O no hydrogen 3.046 N/A LEU 204.A N TRP 216.A O no hydrogen 2.896 N/A ILE 205.A N ALA 198.A O no hydrogen 3.133 N/A THR 206.A N LYS 214.A O no hydrogen 2.978 N/A THR 206.A OG1 LYS 214.A O no hydrogen 3.381 N/A THR 207.A N GLY 196.A O no hydrogen 3.441 N/A GLY 208.A N GLN 212.A O no hydrogen 2.901 N/A SER 211.A OG ASP 210.A O no hydrogen 2.617 N/A SER 211.A OG SER 239.A O no hydrogen 3.556 N/A GLN 212.A NE2 ASP 210.A O no hydrogen 3.098 N/A GLN 212.A NE2 GLU 236.A OE1 no hydrogen 3.217 N/A VAL 213.A N PHE 235.A O no hydrogen 2.826 N/A LYS 214.A N THR 206.A O no hydrogen 2.919 N/A LYS 214.A NZ ALA 189.A O no hydrogen 2.281 N/A ILE 215.A N GLY 233.A O no hydrogen 2.853 N/A TRP 216.A N LEU 204.A O no hydrogen 2.898 N/A LYS 217.A N THR 230.A O no hydrogen 2.855 N/A LEU 218.A N ASP 202.A O no hydrogen 3.397 N/A ASP 219.A N LYS 228.A O no hydrogen 2.965 N/A LYS 228.A NZ GLU 221.A O no hydrogen 2.667 N/A THR 230.A N LYS 217.A O no hydrogen 3.055 N/A GLY 233.A N ILE 215.A O no hydrogen 3.065 N/A PHE 235.A N VAL 213.A O no hydrogen 2.938 N/A SER 239.A OG GLN 241.A O no hydrogen 2.917 N/A LEU 244.A N GLN 259.A O no hydrogen 2.712 N/A LYS 245.A N GLN 259.A O no hydrogen 3.132 N/A LYS 245.A NZ ASN 18.A OD1 no hydrogen 2.955 N/A GLU 247.A N TYR 257.A O no hydrogen 3.018 N/A ILE 249.A N PHE 255.A O no hydrogen 2.823 N/A ASN 251.A ND2 THR 324.A OG1 no hydrogen 2.897 N/A SER 254.A N ILE 270.A O no hydrogen 3.208 N/A SER 254.A OG ILE 249.A O no hydrogen 2.255 N/A PHE 255.A N ILE 249.A O no hydrogen 2.845 N/A PHE 256.A N PHE 268.A O no hydrogen 2.918 N/A TYR 257.A N GLU 247.A O no hydrogen 2.967 N/A ILE 258.A N GLU 266.A O no hydrogen 2.877 N/A GLN 259.A N LYS 245.A O no hydrogen 2.805 N/A GLN 259.A NE2 ASN 260.A O no hydrogen 2.269 N/A ASN 260.A ND2 GLN 238.A OE1 no hydrogen 3.463 N/A THR 264.A OG1 ASN 260.A OD1 no hydrogen 3.103 N/A ILE 265.A N ILE 311.A O no hydrogen 2.987 N/A GLU 266.A N ILE 258.A O no hydrogen 2.905 N/A THR 267.A N GLN 309.A O no hydrogen 2.913 N/A THR 267.A OG1 GLN 309.A O no hydrogen 2.933 N/A PHE 268.A N PHE 256.A O no hydrogen 2.861 N/A ARG 269.A N HIS 306.A O no hydrogen 3.139 N/A ARG 269.A NH1 THR 253.A OG1 no hydrogen 3.410 N/A ARG 269.A NH1 LYS 350.A O no hydrogen 2.389 N/A ILE 270.A N SER 254.A O no hydrogen 2.792 N/A ARG 271.A NH2 HIS 306.A ND1 no hydrogen 3.138 N/A LYS 272.A NZ THR 253.A OG1 no hydrogen 2.424 N/A GLU 273.A N GLU 273.A OE1 no hydrogen 2.520 N/A ILE 276.A N LYS 272.A O no hydrogen 2.965 N/A ALA 277.A N GLU 273.A O no hydrogen 2.822 N/A ARG 278.A N GLU 274.A O no hydrogen 2.920 N/A GLY 279.A N GLU 275.A O no hydrogen 2.886 N/A LEU 280.A N ILE 276.A O no hydrogen 2.865 N/A LYS 281.A N ALA 277.A O no hydrogen 2.918 N/A LYS 282.A N ARG 278.A O no hydrogen 2.930 N/A ARG 283.A N GLY 279.A O no hydrogen 2.829 N/A ARG 283.A NH1 SER 299.A O no hydrogen 3.387 N/A GLU 284.A N LEU 280.A O no hydrogen 2.859 N/A LYS 285.A N LYS 281.A O no hydrogen 2.897 N/A LYS 285.A NZ LYS 282.A O no hydrogen 3.306 N/A ARG 286.A N LYS 282.A O no hydrogen 3.003 N/A LEU 287.A N ARG 283.A O no hydrogen 2.761 N/A LYS 288.A N GLU 284.A O no hydrogen 2.916 N/A GLU 289.A N LYS 285.A O no hydrogen 2.968 N/A GLU 291.A N GLU 291.A OE2 no hydrogen 2.692 N/A LYS 294.A N GLU 290.A O no hydrogen 2.939 N/A LYS 294.A NZ GLU 290.A O no hydrogen 2.291 N/A SER 295.A N GLU 291.A O no hydrogen 2.909 N/A SER 295.A OG GLU 291.A O no hydrogen 3.022 N/A ILE 296.A N ILE 292.A O no hydrogen 3.012 N/A LYS 297.A N ALA 293.A O no hydrogen 2.899 N/A GLU 298.A N LYS 294.A O no hydrogen 2.889 N/A SER 299.A N SER 295.A O no hydrogen 2.947 N/A PHE 303.A N SER 299.A O no hydrogen 2.917 N/A ILE 304.A N TYR 300.A O no hydrogen 2.933 N/A LEU 305.A N SER 301.A O no hydrogen 3.000 N/A GLN 309.A N THR 267.A O no hydrogen 3.017 N/A THR 310.A OG1 ILE 265.A O no hydrogen 2.673 N/A ILE 311.A N ILE 265.A O no hydrogen 2.854 N/A SER 313.A OG TYR 344.A OH no hydrogen 2.831 N/A TYR 315.A OH THR 336.A OG1 no hydrogen 3.086 N/A LYS 318.A N THR 335.A O no hydrogen 2.553 N/A SER 319.A N THR 335.A O no hydrogen 3.049 N/A SER 321.A N VAL 333.A O no hydrogen 2.934 N/A SER 321.A OG ALA 320.A O no hydrogen 2.774 N/A TRP 322.A NE1 GLU 247.A O no hydrogen 2.990 N/A THR 323.A OG1 TRP 322.A O no hydrogen 2.586 N/A VAL 325.A N LYS 329.A O no hydrogen 2.936 N/A SER 326.A OG VAL 325.A O no hydrogen 2.676 N/A SER 326.A OG SER 328.A OG no hydrogen 2.272 N/A SER 327.A OG ASN 251.A OD1 no hydrogen 2.660 N/A SER 328.A N VAL 325.A O no hydrogen 2.997 N/A SER 328.A OG SER 326.A OG no hydrogen 2.272 N/A LYS 329.A N VAL 325.A O no hydrogen 2.959 N/A LEU 330.A N ILE 346.A O no hydrogen 2.859 N/A GLU 331.A N THR 323.A O no hydrogen 2.804 N/A LEU 332.A N TYR 344.A O no hydrogen 2.874 N/A VAL 333.A N SER 321.A O no hydrogen 2.932 N/A LEU 334.A N GLU 342.A O no hydrogen 2.947 N/A THR 335.A N SER 319.A O no hydrogen 2.865 N/A THR 335.A OG1 SER 319.A OG no hydrogen 3.424 N/A THR 336.A N THR 340.A O no hydrogen 3.025 N/A THR 336.A OG1 TYR 315.A OH no hydrogen 3.086 N/A THR 336.A OG1 SER 338.A O no hydrogen 2.418 N/A THR 336.A OG1 THR 340.A O no hydrogen 2.520 N/A THR 336.A OG1 THR 340.A OG1 no hydrogen 2.264 N/A SER 337.A N LYS 316.A O no hydrogen 3.109 N/A SER 338.A OG ARG 370.A O no hydrogen 2.307 N/A ASN 339.A ND2 GLY 11.A O no hydrogen 2.324 N/A THR 340.A N THR 336.A OG1 no hydrogen 2.965 N/A THR 340.A N SER 338.A O no hydrogen 2.585 N/A THR 340.A OG1 TYR 315.A OH no hydrogen 2.137 N/A THR 340.A OG1 THR 336.A OG1 no hydrogen 2.264 N/A ILE 341.A N ILE 364.A O no hydrogen 3.039 N/A GLU 342.A N LEU 334.A O no hydrogen 2.877 N/A TYR 343.A N THR 361.A O no hydrogen 2.993 N/A TYR 343.A N HIS 362.A O no hydrogen 3.000 N/A TYR 343.A OH GLU 331.A OE1 no hydrogen 2.279 N/A TYR 344.A N LEU 332.A O no hydrogen 2.903 N/A TYR 344.A OH SER 313.A OG no hydrogen 2.831 N/A SER 345.A N LEU 359.A O no hydrogen 2.862 N/A TYR 348.A N SER 328.A O no hydrogen 2.810 N/A TYR 348.A OH ASN 251.A OD1 no hydrogen 2.986 N/A THR 354.A N ASP 352.A OD2 no hydrogen 2.764 N/A THR 354.A OG1 PRO 353.A O no hydrogen 2.544 N/A SER 355.A OG ALA 357.A O no hydrogen 2.541 N/A ALA 357.A N SER 355.A OG no hydrogen 3.398 N/A LEU 359.A N SER 345.A O no hydrogen 2.926 N/A LYS 360.A NZ GLU 342.A OE1 no hydrogen 2.660 N/A THR 361.A N TYR 343.A O no hydrogen 2.885 N/A ILE 364.A N ILE 341.A O no hydrogen 2.841 N/A GLN 369.A NE2 SER 392.A O no hydrogen 3.410 N/A ARG 374.A N THR 387.A O no hydrogen 2.694 N/A SER 375.A N THR 387.A O no hydrogen 3.149 N/A SER 375.A OG ILE 376.A O no hydrogen 2.828 N/A ASP 377.A N LEU 385.A O no hydrogen 2.948 N/A SER 379.A N LYS 383.A O no hydrogen 2.866 N/A ASN 382.A N SER 379.A O no hydrogen 3.235 N/A ASN 382.A ND2 ASP 380.A O no hydrogen 2.882 N/A LEU 384.A N TRP 396.A O no hydrogen 2.950 N/A LEU 385.A N ASP 377.A O no hydrogen 2.865 N/A ALA 386.A N LYS 394.A O no hydrogen 2.926 N/A THR 387.A N SER 375.A O no hydrogen 2.966 N/A SER 389.A OG ALA 412.A O no hydrogen 2.962 N/A ASN 390.A ND2 GLN 369.A O no hydrogen 2.888 N/A GLY 391.A N ALA 388.A O no hydrogen 2.324 N/A SER 392.A N ASN 390.A OD1 no hydrogen 2.568 N/A SER 392.A OG GLN 369.A OE1 no hydrogen 3.269 N/A LEU 393.A N GLY 391.A O no hydrogen 2.523 N/A LYS 394.A N ALA 386.A O no hydrogen 2.888 N/A LYS 394.A NZ LEU 366.A O no hydrogen 2.317 N/A ILE 395.A N ARG 405.A O no hydrogen 2.938 N/A TRP 396.A N LEU 384.A O no hydrogen 2.872 N/A ASN 397.A N LYS 402.A O no hydrogen 2.910 N/A LYS 399.A NZ ASN 382.A OD1 no hydrogen 2.830 N/A THR 400.A OG1 ASN 397.A O no hydrogen 3.390 N/A HIS 401.A N ILE 398.A O no hydrogen 2.713 N/A LYS 402.A N ASN 397.A O no hydrogen 2.976 N/A CYS 403.A SG ILE 395.A O no hydrogen 3.800 N/A CYS 403.A SG ARG 405.A O no hydrogen 3.668 N/A ILE 404.A N ILE 395.A O no hydrogen 2.856 N/A PHE 407.A N LEU 393.A O no hydrogen 3.242 N/A CYS 409.A SG GLY 391.A O no hydrogen 3.593 N/A CYS 409.A SG GLY 410.A O no hydrogen 3.873 N/A LEU 413.A N GLY 427.A O no hydrogen 2.440 N/A THR 414.A N GLY 427.A O no hydrogen 3.023 N/A THR 414.A OG1 TRP 456.A O no hydrogen 2.912 N/A LYS 416.A N ILE 425.A O no hydrogen 2.921 N/A LYS 416.A NZ LEU 458.A O no hydrogen 2.743 N/A LYS 416.A NZ ASP 459.A OD1 no hydrogen 3.380 N/A LEU 418.A N LEU 423.A O no hydrogen 2.810 N/A LEU 422.A N PRO 419.A O no hydrogen 3.280 N/A LEU 423.A N LEU 418.A O no hydrogen 2.971 N/A VAL 424.A N PHE 436.A O no hydrogen 2.937 N/A ILE 425.A N LYS 416.A O no hydrogen 2.846 N/A LEU 426.A N GLN 434.A O no hydrogen 2.912 N/A GLY 427.A N THR 414.A O no hydrogen 2.968 N/A THR 428.A OG1 ASN 430.A O no hydrogen 2.160 N/A ARG 429.A N TYR 411.A O no hydrogen 2.847 N/A ASN 430.A N THR 428.A OG1 no hydrogen 2.864 N/A GLU 432.A N ASN 430.A O no hydrogen 2.599 N/A GLN 434.A N LEU 426.A O no hydrogen 2.986 N/A GLN 434.A NE2 CYS 409.A O no hydrogen 2.760 N/A PHE 436.A N VAL 424.A O no hydrogen 2.783 N/A ASP 437.A N SER 442.A O no hydrogen 3.313 N/A SER 440.A N ASP 437.A OD1 no hydrogen 3.094 N/A SER 441.A N SER 440.A OG no hydrogen 2.376 N/A ALA 450.A N GLY 431.A O no hydrogen 2.968 N/A HIS 451.A NE2 THR 469.A OG1 no hydrogen 2.816 N/A ALA 453.A N ASP 473.A OD2 no hydrogen 3.149 N/A TRP 456.A N GLY 470.A O no hydrogen 3.003 N/A SER 457.A N GLY 470.A O no hydrogen 3.068 N/A ASP 459.A N VAL 468.A O no hydrogen 2.948 N/A LEU 460.A N ASP 459.A OD1 no hydrogen 2.518 N/A THR 461.A OG1 ASP 463.A OD1 no hydrogen 2.294 N/A SER 462.A OG PRO 505.A O no hydrogen 2.567 N/A GLY 464.A N ASP 463.A OD1 no hydrogen 2.537 N/A LYS 465.A N ASP 463.A OD1 no hydrogen 3.203 N/A LEU 467.A N TRP 479.A O no hydrogen 2.849 N/A VAL 468.A N ASP 459.A O no hydrogen 2.868 N/A THR 469.A N LYS 477.A O no hydrogen 2.924 N/A THR 469.A OG1 HIS 451.A NE2 no hydrogen 2.816 N/A THR 469.A OG1 LYS 477.A O no hydrogen 3.519 N/A GLY 470.A N SER 457.A O no hydrogen 2.861 N/A SER 471.A N THR 475.A O no hydrogen 2.949 N/A SER 471.A OG HIS 451.A ND1 no hydrogen 2.527 N/A SER 471.A OG THR 475.A O no hydrogen 3.087 N/A ALA 472.A N ALA 454.A O no hydrogen 3.015 N/A LYS 474.A NZ ASP 473.A O no hydrogen 2.734 N/A THR 475.A N SER 471.A O no hydrogen 3.127 N/A VAL 476.A N LEU 492.A O no hydrogen 2.957 N/A LYS 477.A N THR 469.A O no hydrogen 2.912 N/A LYS 477.A NZ ALA 450.A O no hydrogen 3.561 N/A PHE 478.A N THR 490.A O no hydrogen 2.817 N/A TRP 479.A N LEU 467.A O no hydrogen 2.912 N/A TRP 479.A NE1 THR 469.A OG1 no hydrogen 3.221 N/A ASP 480.A N HIS 487.A O no hydrogen 2.840 N/A PHE 481.A N LYS 465.A O no hydrogen 2.988 N/A LYS 482.A N LYS 485.A O no hydrogen 2.916 N/A LYS 485.A N LYS 482.A O no hydrogen 2.855 N/A HIS 487.A N ASP 480.A O no hydrogen 2.951 N/A ASP 489.A N PHE 478.A O no hydrogen 2.809 N/A THR 490.A N PHE 478.A O no hydrogen 3.126 N/A LEU 492.A N VAL 476.A O no hydrogen 2.893 N/A LEU 494.A N LYS 474.A O no hydrogen 2.964 N/A THR 495.A OG1 ASP 496.A OD1 no hydrogen 2.203 N/A CYS 500.A SG VAL 501.A O no hydrogen 3.574 N/A ARG 502.A N ALA 511.A O no hydrogen 2.976 N/A VAL 503.A N ASP 459.A OD2 no hydrogen 3.340 N/A SER 504.A N TYR 509.A O no hydrogen 3.013 N/A ASP 507.A N SER 504.A O no hydrogen 2.786 N/A ARG 508.A N SER 504.A OG no hydrogen 2.389 N/A ARG 508.A NE TYR 509.A OH no hydrogen 2.870 N/A ARG 508.A NH2 TYR 509.A OH no hydrogen 2.733 N/A TYR 509.A N SER 504.A OG no hydrogen 3.223 N/A LEU 510.A N PHE 522.A O no hydrogen 2.938 N/A ALA 511.A N ARG 502.A O no hydrogen 2.888 N/A ILE 512.A N LYS 520.A O no hydrogen 2.950 N/A SER 513.A N CYS 500.A O no hydrogen 2.964 N/A SER 513.A OG LEU 514.A O no hydrogen 2.704 N/A LEU 514.A N THR 518.A O no hydrogen 3.014 N/A THR 518.A N ASP 516.A O no hydrogen 2.503 N/A THR 518.A OG1 ASP 516.A O no hydrogen 3.188 N/A VAL 519.A N LEU 533.A O no hydrogen 3.016 N/A LYS 520.A N ILE 512.A O no hydrogen 2.863 N/A VAL 521.A N LEU 531.A O no hydrogen 2.951 N/A PHE 522.A N LEU 510.A O no hydrogen 2.826 N/A LEU 524.A N ARG 508.A O no hydrogen 2.848 N/A MET 527.A N PHE 523.A O no hydrogen 2.842 N/A TYR 530.A OH LEU 566.A O no hydrogen 2.750 N/A TYR 530.A OH ASP 567.A O no hydrogen 2.568 N/A LEU 531.A N VAL 521.A O no hydrogen 2.915 N/A LEU 533.A N VAL 519.A O no hydrogen 2.888 N/A LEU 541.A N SER 555.A O no hydrogen 2.963 N/A SER 542.A N SER 555.A O no hydrogen 2.965 N/A SER 542.A OG SER 555.A OG no hydrogen 2.207 N/A SER 542.A OG MET 583.A O no hydrogen 3.442 N/A ASP 544.A N ILE 553.A O no hydrogen 2.861 N/A SER 546.A N MET 551.A O no hydrogen 2.910 N/A SER 546.A OG ASP 548.A OD1 no hydrogen 2.611 N/A ASP 548.A N SER 546.A OG no hydrogen 3.102 N/A SER 549.A OG ASP 506.A OD2 no hydrogen 3.311 N/A SER 549.A OG ASP 548.A O no hydrogen 2.526 N/A ILE 552.A N TRP 564.A O no hydrogen 2.832 N/A ILE 553.A N ASP 544.A O no hydrogen 2.850 N/A THR 554.A N LYS 562.A O no hydrogen 2.992 N/A THR 554.A OG1 HIS 536.A NE2 no hydrogen 3.000 N/A THR 554.A OG1 LYS 562.A O no hydrogen 3.486 N/A SER 555.A N SER 542.A O no hydrogen 2.933 N/A SER 555.A OG SER 542.A O no hydrogen 2.870 N/A SER 555.A OG SER 542.A OG no hydrogen 2.207 N/A SER 556.A OG ASP 558.A OD1 no hydrogen 2.656 N/A ALA 557.A N PRO 539.A O no hydrogen 3.362 N/A ASP 558.A N ASP 558.A OD1 no hydrogen 2.548 N/A LYS 559.A NZ ASP 580.A O no hydrogen 3.252 N/A ASN 560.A ND2 ASP 558.A OD2 no hydrogen 2.680 N/A LYS 562.A N THR 554.A O no hydrogen 2.925 N/A LYS 562.A NZ SER 574.A OG no hydrogen 3.332 N/A ILE 563.A N LYS 573.A O no hydrogen 2.845 N/A TRP 564.A N ILE 552.A O no hydrogen 2.898 N/A TRP 564.A NE1 THR 554.A OG1 no hydrogen 3.220 N/A GLY 565.A N ASP 570.A O no hydrogen 2.824 N/A LEU 566.A N LYS 550.A O no hydrogen 2.931 N/A ASP 570.A N GLY 565.A O no hydrogen 3.076 N/A LYS 573.A N ILE 563.A O no hydrogen 3.034 N/A ALA 577.A N LYS 559.A O no hydrogen 2.920 N/A HIS 578.A NE2 SER 596.A OG no hydrogen 2.936 N/A ASP 580.A N ASP 600.A OD1 no hydrogen 3.178 N/A MET 583.A N CYS 597.A O no hydrogen 2.971 N/A ASN 584.A N CYS 597.A O no hydrogen 3.020 N/A LYS 586.A N PHE 595.A O no hydrogen 2.892 N/A LYS 586.A NZ ASP 544.A OD1 no hydrogen 3.467 N/A LYS 586.A NZ VAL 585.A O no hydrogen 3.400 N/A LEU 588.A N ASN 593.A O no hydrogen 2.918 N/A ASN 593.A N SER 591.A O no hydrogen 2.786 N/A PHE 595.A N LYS 586.A O no hydrogen 2.833 N/A SER 596.A OG HIS 578.A NE2 no hydrogen 2.936 N/A SER 596.A OG LYS 604.A O no hydrogen 2.961 N/A CYS 597.A N ASN 584.A O no hydrogen 2.921 N/A SER 598.A OG ASP 600.A OD1 no hydrogen 2.835 N/A LYS 599.A N SER 581.A O no hydrogen 2.633 N/A ASP 600.A N SER 598.A OG no hydrogen 2.823 N/A VAL 603.A N LEU 617.A O no hydrogen 2.957 N/A LYS 604.A N SER 596.A O no hydrogen 3.209 N/A TYR 605.A N GLN 615.A O no hydrogen 2.865 N/A TRP 606.A N PHE 594.A O no hydrogen 3.239 N/A TRP 606.A NE1 SER 596.A OG no hydrogen 2.994 N/A ASP 607.A N GLU 612.A O no hydrogen 3.104 N/A GLY 608.A N ASN 593.A OD1 no hydrogen 3.014 N/A GLU 609.A N ASP 607.A OD2 no hydrogen 2.610 N/A LYS 610.A N ASP 607.A OD2 no hydrogen 2.338 N/A PHE 611.A N ASP 607.A O no hydrogen 3.006 N/A GLN 615.A N TYR 605.A O no hydrogen 2.940 N/A LEU 617.A N VAL 603.A O no hydrogen 2.840 N/A SER 622.A OG GLU 623.A O no hydrogen 3.414 N/A SER 622.A OG ASP 642.A OD1 no hydrogen 3.221 N/A TRP 625.A N SER 639.A O no hydrogen 2.950 N/A ALA 626.A N SER 639.A O no hydrogen 3.042 N/A ALA 628.A N VAL 637.A O no hydrogen 2.962 N/A ALA 630.A N PHE 635.A O no hydrogen 2.954 N/A VAL 636.A N TRP 648.A O no hydrogen 2.892 N/A VAL 637.A N ALA 628.A O no hydrogen 2.880 N/A SER 638.A N ARG 646.A O no hydrogen 2.907 N/A SER 638.A OG ARG 646.A O no hydrogen 3.552 N/A SER 639.A N ALA 626.A O no hydrogen 2.944 N/A SER 640.A N SER 644.A O no hydrogen 3.075 N/A SER 640.A OG SER 622.A OG no hydrogen 3.269 N/A SER 640.A OG ASP 642.A OD1 no hydrogen 2.151 N/A HIS 641.A N GLU 623.A O no hydrogen 3.107 N/A ASP 642.A N SER 622.A OG no hydrogen 2.762 N/A HIS 643.A ND1 THR 371.A O no hydrogen 2.380 N/A SER 644.A N SER 640.A O no hydrogen 3.095 N/A SER 644.A OG ASP 642.A O no hydrogen 2.460 N/A ARG 646.A N SER 638.A O no hydrogen 2.956 N/A ARG 646.A NH1 ALA 619.A O no hydrogen 2.940 N/A TRP 648.A N VAL 636.A O no hydrogen 2.900 N/A GLU 649.A N GLU 5.A O no hydrogen 2.875 N/A THR 651.A N ARG 3.A O no hydrogen 2.825 N/A THR 651.A OG1 ARG 3.A O no hydrogen 2.888 N/A THR 651.A OG1 GLU 5.A OE1 no hydrogen 3.314 N/A ARG 658.A N LYS 654.A O no hydrogen 3.036 N/A MET 660.A N GLY 656.A O no hydrogen 2.995 N/A GLU 661.A N GLU 657.A O no hydrogen 3.067 N/A ALA 662.A N ARG 658.A O no hydrogen 3.034 N/A LEU 663.A N LEU 659.A O no hydrogen 2.871 N/A ASP 664.A N MET 660.A O no hydrogen 2.975 N/A LEU 665.A N GLU 661.A O no hydrogen 3.177 N/A GLY 666.A N ALA 662.A O no hydrogen 2.966 N/A ILE 667.A N LEU 663.A O no hydrogen 2.973 N/A ALA 668.A N ASP 664.A O no hydrogen 2.975 N/A GLU 669.A N LEU 665.A O no hydrogen 3.037 N/A ILE 670.A N GLY 666.A O no hydrogen 2.958 N/A GLU 671.A N ILE 667.A O no hydrogen 2.926 N/A GLY 672.A N ALA 668.A O no hydrogen 3.008 N/A LEU 673.A N GLU 669.A O no hydrogen 3.015 N/A GLU 674.A N ILE 670.A O no hydrogen 2.935 N/A ALA 675.A N GLU 671.A O no hydrogen 2.951 N/A TYR 676.A N GLY 672.A O no hydrogen 3.009 N/A ASN 677.A N LEU 673.A O no hydrogen 2.944 N/A ARG 678.A N GLU 674.A O no hydrogen 2.965 N/A ARG 678.A NH1 GLU 674.A OE1 no hydrogen 3.064 N/A ASP 679.A N ALA 675.A O no hydrogen 2.886 N/A MET 680.A N TYR 676.A O no hydrogen 2.956 N/A LYS 681.A N ASN 677.A O no hydrogen 3.010 N/A LEU 682.A N ARG 678.A O no hydrogen 2.926 N/A TRP 683.A N ASP 679.A O no hydrogen 2.919 N/A GLN 684.A N MET 680.A O no hydrogen 2.931 N/A ASN 690.A N GLU 669.A OE2 no hydrogen 2.861 N/A ALA 691.A N ASN 690.A OD1 no hydrogen 2.496 N/A ILE 694.A N ASN 690.A O no hydrogen 2.999 N/A ALA 695.A N ALA 691.A O no hydrogen 2.778 N/A VAL 696.A N VAL 692.A O no hydrogen 3.005 N/A ASN 697.A N ILE 694.A O no hydrogen 3.024 N/A LYS 698.A N LEU 693.A O no hydrogen 3.010 N/A LYS 698.A NZ ASP 706.A OD2 no hydrogen 2.645 N/A GLU 701.A N GLU 701.A OE1 no hydrogen 2.550 N/A TYR 703.A N THR 699.A O no hydrogen 2.978 N/A ILE 704.A N PRO 700.A O no hydrogen 2.999 N/A MET 705.A N GLU 701.A O no hydrogen 2.907 N/A ASP 706.A N GLN 702.A O no hydrogen 2.917 N/A THR 707.A N TYR 703.A O no hydrogen 3.092 N/A THR 707.A OG1 ILE 704.A O no hydrogen 2.702 N/A LEU 708.A N ILE 704.A O no hydrogen 2.972 N/A LEU 709.A N MET 705.A O no hydrogen 2.841 N/A ARG 710.A N ASP 706.A O no hydrogen 2.962 N/A ILE 711.A N THR 707.A O no hydrogen 3.225 N/A GLN 715.A N ARG 712.A O no hydrogen 2.856 N/A ALA 719.A N GLN 715.A O no hydrogen 2.949 N/A LEU 720.A N LEU 716.A O no hydrogen 3.127 N/A MET 721.A N GLU 717.A O no hydrogen 3.016 N/A VAL 722.A N ALA 719.A O no hydrogen 2.713 N/A MET 723.A N ALA 719.A O no hydrogen 3.281 N/A TYR 727.A OH ASP 664.A OD1 no hydrogen 3.421 N/A TYR 727.A OH ASP 664.A OD2 no hydrogen 2.647 N/A VAL 728.A N PRO 724.A O no hydrogen 3.106 N/A LEU 729.A N PHE 725.A O no hydrogen 3.012 N/A LYS 730.A N SER 726.A O no hydrogen 3.098 N/A LYS 730.A NZ ASP 664.A OD1 no hydrogen 3.096 N/A PHE 731.A N TYR 727.A O no hydrogen 2.931 N/A LEU 732.A N VAL 728.A O no hydrogen 2.996 N/A LYS 733.A N LEU 729.A O no hydrogen 3.128 N/A PHE 734.A N LYS 730.A O no hydrogen 3.011 N/A ILE 735.A N PHE 731.A O no hydrogen 3.050 N/A ASP 736.A N LEU 732.A O no hydrogen 3.106 N/A THR 737.A N LYS 733.A O no hydrogen 3.052 N/A THR 737.A OG1 LYS 733.A O no hydrogen 3.144 N/A VAL 738.A N PHE 734.A O no hydrogen 3.052 N/A MET 739.A N ILE 735.A O no hydrogen 3.099 N/A GLN 740.A N ASP 736.A O no hydrogen 3.114 N/A ASN 741.A N THR 737.A O no hydrogen 3.067 N/A LYS 742.A NZ GLU 785.A OE1 no hydrogen 3.263 N/A LEU 745.A N ASN 741.A O no hydrogen 3.190 N/A HIS 746.A N LYS 742.A O no hydrogen 2.816 N/A SER 747.A N THR 743.A O no hydrogen 3.031 N/A SER 747.A OG THR 743.A O no hydrogen 3.535 N/A SER 747.A OG LEU 744.A O no hydrogen 2.335 N/A HIS 748.A N LEU 744.A O no hydrogen 3.014 N/A ILE 752.A N HIS 748.A O no hydrogen 3.220 N/A CYS 753.A N LEU 749.A O no hydrogen 3.054 N/A CYS 753.A SG PRO 750.A O no hydrogen 3.130 N/A LYS 754.A N PRO 750.A O no hydrogen 2.931 N/A ASN 755.A N LEU 751.A O no hydrogen 3.018 N/A LEU 756.A N ILE 752.A O no hydrogen 2.918 N/A PHE 757.A N CYS 753.A O no hydrogen 3.040 N/A PHE 758.A N LYS 754.A O no hydrogen 3.014 N/A ILE 759.A N ASN 755.A O no hydrogen 2.957 N/A ILE 760.A N LEU 756.A O no hydrogen 3.049 N/A LYS 761.A N PHE 757.A O no hydrogen 3.053 N/A PHE 762.A N PHE 758.A O no hydrogen 3.013 N/A ASN 763.A N ILE 759.A O no hydrogen 3.054 N/A LEU 767.A N ASN 763.A O no hydrogen 3.164 N/A VAL 768.A N HIS 764.A O no hydrogen 3.121 N/A SER 769.A N LYS 765.A O no hydrogen 3.049 N/A GLN 770.A N GLU 766.A O no hydrogen 2.949 N/A GLU 774.A N GLU 774.A OE1 no hydrogen 2.846 N/A LYS 776.A N ASN 772.A O no hydrogen 2.965 N/A LEU 777.A N GLU 773.A O no hydrogen 2.996 N/A GLN 778.A N GLU 774.A O no hydrogen 2.901 N/A ILE 779.A N LEU 775.A O no hydrogen 2.933 N/A ASN 780.A N LYS 776.A O no hydrogen 2.964 N/A ARG 781.A N LEU 777.A O no hydrogen 3.022 N/A VAL 782.A N GLN 778.A O no hydrogen 2.937 N/A LYS 783.A N ILE 779.A O no hydrogen 2.874 N/A THR 784.A N ASN 780.A O no hydrogen 3.025 N/A THR 784.A OG1 ASN 780.A O no hydrogen 2.699 N/A THR 784.A OG1 ARG 781.A O no hydrogen 2.822 N/A THR 784.A OG1 GLU 785.A OE2 no hydrogen 3.240 N/A GLU 785.A N ARG 781.A O no hydrogen 3.031 N/A LEU 786.A N VAL 782.A O no hydrogen 2.955 N/A ARG 787.A N LYS 783.A O no hydrogen 3.011 N/A SER 788.A N THR 784.A O no hydrogen 2.986 N/A ALA 789.A N GLU 785.A O no hydrogen 2.984 N/A LEU 790.A N LEU 786.A O no hydrogen 3.008 N/A LYS 791.A N ARG 787.A O no hydrogen 2.854 N/A SER 792.A N SER 788.A O no hydrogen 3.031 N/A SER 792.A OG SER 788.A O no hydrogen 3.470 N/A THR 793.A N ALA 789.A O no hydrogen 3.126 N/A THR 793.A OG1 ALA 789.A O no hydrogen 3.007 N/A THR 793.A OG1 LEU 790.A O no hydrogen 2.439 N/A GLU 794.A N LEU 790.A O no hydrogen 2.924 N/A ASP 795.A N LYS 791.A O no hydrogen 2.949 N/A ASP 796.A N SER 792.A O no hydrogen 3.120 N/A LEU 797.A N THR 793.A O no hydrogen 3.157 N/A GLY 798.A N GLU 794.A O no hydrogen 2.913 N/A PHE 799.A N ASP 795.A O no hydrogen 3.134 N/A ASN 800.A N ASP 796.A O no hydrogen 3.039 N/A VAL 801.A N LEU 797.A O no hydrogen 3.060 N/A GLN 802.A N GLY 798.A O no hydrogen 3.023 N/A GLY 803.A N PHE 799.A O no hydrogen 3.002 N/A LEU 804.A N ASN 800.A O no hydrogen 2.950 N/A LYS 805.A N VAL 801.A O no hydrogen 3.106 N/A PHE 806.A N GLN 802.A O no hydrogen 2.961 N/A VAL 807.A N GLY 803.A O no hydrogen 2.947 N/A LYS 808.A N LEU 804.A O no hydrogen 3.064 N/A GLN 809.A N LYS 805.A O no hydrogen 2.915 N/A GLN 810.A N PHE 806.A O no hydrogen 2.965 N/A TRP 811.A N VAL 807.A O no hydrogen 3.082 N/A ASN 812.A N LYS 808.A O no hydrogen 2.935 N/A LEU 813.A N GLN 809.A O no hydrogen 2.992 N/A ARG 814.A N TRP 811.A O no hydrogen 3.369 N/A HIS 815.A N TRP 811.A O no hydrogen 2.932 N/A GLU 822.A N GLU 822.A OE1 no hydrogen 2.835 N/A ASP 824.A N ASP 821.A OD2 no hydrogen 2.820 N/A GLN 825.A N ASP 821.A O no hydrogen 2.910 N/A GLN 825.A NE2 GLU 829.A OE1 no hydrogen 3.306 N/A GLN 826.A N GLU 822.A O no hydrogen 2.912 N/A GLU 827.A N TYR 823.A O no hydrogen 2.938 N/A LYS 828.A N ASP 824.A O no hydrogen 3.024 N/A LYS 828.A NZ ASN 816.A OD1 no hydrogen 3.165 N/A GLU 829.A N GLN 825.A O no hydrogen 2.878 N/A SER 830.A N GLN 826.A O no hydrogen 2.982 N/A ASN 831.A N GLU 827.A O no hydrogen 3.002 N/A SER 832.A N LYS 828.A O no hydrogen 3.091 N/A SER 832.A OG LYS 828.A O no hydrogen 3.139 N/A ALA 833.A N GLU 829.A O no hydrogen 3.062 N/A