Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wqd_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 6.A N GLU 2.A O no hydrogen 2.908 N/A TYR 7.A N GLY 3.A O no hydrogen 2.929 N/A VAL 8.A N LEU 4.A O no hydrogen 2.858 N/A TYR 9.A N ALA 5.A O no hydrogen 2.899 N/A LYS 10.A N GLY 6.A O no hydrogen 2.957 N/A ALA 11.A N TYR 7.A O no hydrogen 2.870 N/A ALA 12.A N VAL 8.A O no hydrogen 2.893 N/A SER 13.A N TYR 9.A O no hydrogen 2.921 N/A SER 13.A OG TYR 9.A O no hydrogen 3.256 N/A SER 13.A OG LYS 10.A O no hydrogen 2.978 N/A GLU 14.A N LYS 10.A O no hydrogen 3.159 N/A GLY 15.A N ALA 12.A O no hydrogen 3.476 N/A LYS 16.A N ALA 11.A O no hydrogen 2.774 N/A LYS 16.A NZ GLU 14.A OE1 no hydrogen 3.234 N/A LEU 20.A N LYS 16.A O no hydrogen 2.992 N/A ALA 21.A N VAL 17.A O no hydrogen 2.914 N/A ALA 22.A N LEU 18.A O no hydrogen 2.905 N/A LEU 23.A N THR 19.A O no hydrogen 2.858 N/A LEU 24.A N LEU 20.A O no hydrogen 2.941 N/A ARG 27.A NH1 LEU 25.A O no hydrogen 2.874 N/A SER 28.A OG ASP 31.A OD2 no hydrogen 2.327 N/A ILE 32.A N SER 28.A O no hydrogen 2.524 N/A ARG 33.A N GLU 29.A O no hydrogen 2.921 N/A TYR 34.A N SER 30.A O no hydrogen 2.924 N/A LEU 35.A N ASP 31.A O no hydrogen 2.908 N/A LEU 36.A N ILE 32.A O no hydrogen 2.905 N/A SER 40.A N SER 47.A O no hydrogen 3.053 N/A SER 47.A N SER 40.A O no hydrogen 2.925 N/A SER 47.A OG ARG 46.A O no hydrogen 2.895 N/A SER 47.A OG THR 78.A O no hydrogen 2.644 N/A THR 48.A OG1 GLN 75.A OE1 no hydrogen 2.958 N/A ILE 51.A N THR 48.A OG1 no hydrogen 3.328 N/A ILE 52.A N THR 48.A O no hydrogen 3.067 N/A ALA 53.A N PRO 49.A O no hydrogen 2.897 N/A ALA 54.A N LEU 50.A O no hydrogen 2.921 N/A ARG 55.A N ILE 51.A O no hydrogen 2.894 N/A ARG 55.A NH1 ARG 55.A O no hydrogen 2.853 N/A ASN 56.A N ILE 52.A O no hydrogen 3.314 N/A ASN 56.A ND2 SER 13.A O no hydrogen 2.749 N/A GLY 57.A N ALA 54.A O no hydrogen 3.280 N/A HIS 58.A N ALA 53.A O no hydrogen 3.159 N/A HIS 58.A NE2 SER 13.A O no hydrogen 2.539 N/A VAL 62.A N HIS 58.A O no hydrogen 3.098 N/A ARG 63.A N ALA 59.A O no hydrogen 2.895 N/A LEU 64.A N LYS 60.A O no hydrogen 2.903 N/A LEU 65.A N VAL 61.A O no hydrogen 2.914 N/A LEU 66.A N VAL 62.A O no hydrogen 3.121 N/A GLU 67.A N ARG 63.A O no hydrogen 3.131 N/A THR 73.A OG1 GLY 111.A O no hydrogen 3.380 N/A GLN 75.A NE2 LEU 36.A O no hydrogen 3.528 N/A GLN 75.A NE2 GLN 72.A O no hydrogen 2.998 N/A THR 78.A N ARG 46.A O no hydrogen 2.395 N/A GLY 88.A N ASP 87.A OD1 no hydrogen 2.665 N/A ALA 89.A N GLY 77.A O no hydrogen 3.308 N/A THR 90.A OG1 THR 73.A O no hydrogen 2.733 N/A ALA 91.A N THR 90.A OG1 no hydrogen 2.588 N/A CYS 94.A N THR 90.A O no hydrogen 3.314 N/A CYS 94.A SG THR 90.A O no hydrogen 3.630 N/A ALA 95.A N ALA 91.A O no hydrogen 2.909 N/A ALA 96.A N LEU 92.A O no hydrogen 2.897 N/A GLY 97.A N TRP 93.A O no hydrogen 2.903 N/A ALA 98.A N CYS 94.A O no hydrogen 2.924 N/A GLY 99.A N ALA 96.A O no hydrogen 3.140 N/A HIS 100.A N ALA 95.A O no hydrogen 3.185 N/A VAL 104.A N HIS 100.A O no hydrogen 3.358 N/A LYS 105.A N PHE 101.A O no hydrogen 3.207 N/A LEU 107.A N VAL 104.A O no hydrogen 3.365 N/A VAL 108.A N VAL 104.A O no hydrogen 3.032 N/A SER 109.A OG LYS 105.A O no hydrogen 3.162 N/A HIS 110.A N LEU 107.A O no hydrogen 3.349 N/A HIS 110.A ND1 LEU 106.A O no hydrogen 2.403 N/A GLY 111.A N VAL 108.A O no hydrogen 3.177 N/A ASN 113.A ND2 HIS 116.A ND1 no hydrogen 3.369 N/A VAL 119.A N THR 118.A OG1 no hydrogen 2.583 N/A THR 120.A OG1 SER 122.A OG no hydrogen 3.112 N/A ASN 121.A N THR 118.A O no hydrogen 3.201 N/A SER 122.A OG THR 120.A O no hydrogen 3.000 N/A SER 122.A OG THR 120.A OG1 no hydrogen 3.112 N/A ARG 126.A N THR 123.A O no hydrogen 2.879 N/A ARG 126.A NH1 ASN 155.A OD1 no hydrogen 2.435 N/A ARG 126.A NH2 ASN 155.A OD1 no hydrogen 3.061 N/A ALA 128.A N PRO 124.A O no hydrogen 3.194 N/A CYS 129.A N LEU 125.A O no hydrogen 2.919 N/A CYS 129.A SG LEU 125.A O no hydrogen 3.511 N/A CYS 129.A SG CYS 157.A O no hydrogen 3.770 N/A PHE 130.A N ARG 126.A O no hydrogen 2.867 N/A ASP 131.A N ALA 127.A O no hydrogen 2.924 N/A GLY 132.A N ALA 128.A O no hydrogen 2.833 N/A VAL 137.A N ARG 133.A O no hydrogen 3.393 N/A LYS 138.A N LEU 134.A O no hydrogen 2.819 N/A LYS 138.A NZ GLU 142.A OE2 no hydrogen 3.309 N/A TYR 139.A N ASP 135.A O no hydrogen 3.055 N/A TYR 139.A OH SER 109.A OG no hydrogen 3.302 N/A LEU 140.A N ILE 136.A O no hydrogen 2.917 N/A VAL 141.A N VAL 137.A O no hydrogen 2.897 N/A GLU 142.A N LYS 138.A O no hydrogen 2.918 N/A ASN 143.A N TYR 139.A O no hydrogen 3.056 N/A ASN 143.A ND2 TYR 139.A O no hydrogen 3.268 N/A ASP 154.A N ASN 151.A O no hydrogen 3.186 N/A ASN 155.A N ASN 151.A OD1 no hydrogen 2.633 N/A CYS 157.A SG ILE 147.A O no hydrogen 3.751 N/A ILE 160.A N THR 156.A O no hydrogen 3.475 N/A ALA 161.A N CYS 157.A O no hydrogen 3.289 N/A ALA 162.A N LEU 158.A O no hydrogen 2.754 N/A TYR 163.A N MET 159.A O no hydrogen 2.804 N/A LYS 164.A N ILE 160.A O no hydrogen 3.474 N/A HIS 166.A NE2 PHE 130.A O no hydrogen 3.032 N/A ARG 171.A N THR 167.A O no hydrogen 2.924 N/A ARG 171.A NE ARG 171.A O no hydrogen 2.919 N/A ARG 171.A NH1 GLU 205.A OE1 no hydrogen 2.511 N/A TYR 172.A N ASP 168.A O no hydrogen 2.897 N/A LEU 173.A N VAL 169.A O no hydrogen 2.878 N/A LEU 174.A N VAL 170.A O no hydrogen 2.922 N/A GLU 175.A N ARG 171.A O no hydrogen 2.935 N/A GLN 176.A N LEU 173.A O no hydrogen 2.791 N/A LYS 183.A NZ GLY 187.A O no hydrogen 2.848 N/A ALA 184.A N ALA 188.A O no hydrogen 3.150 N/A GLY 187.A N ALA 184.A O no hydrogen 3.372 N/A THR 189.A N HIS 192.A ND1 no hydrogen 3.048 N/A THR 189.A OG1 HIS 192.A ND1 no hydrogen 2.844 N/A HIS 192.A ND1 THR 189.A OG1 no hydrogen 2.844 N/A HIS 192.A NE2 MET 220.A O no hydrogen 3.231 N/A ALA 194.A N ALA 190.A O no hydrogen 3.277 N/A ALA 195.A N LEU 191.A O no hydrogen 2.856 N/A GLU 196.A N HIS 192.A O no hydrogen 2.912 N/A ALA 197.A N PHE 193.A O no hydrogen 2.922 N/A GLY 198.A N ALA 194.A O no hydrogen 3.356 N/A HIS 199.A N ALA 194.A O no hydrogen 3.402 N/A VAL 203.A N HIS 199.A O no hydrogen 3.476 N/A LYS 204.A N ILE 200.A O no hydrogen 2.903 N/A GLU 205.A N ASP 201.A O no hydrogen 2.913 N/A LEU 206.A N ILE 202.A O no hydrogen 2.905 N/A ILE 207.A N VAL 203.A O no hydrogen 2.903 N/A LYS 208.A N LYS 204.A O no hydrogen 2.909 N/A TRP 209.A N GLU 205.A O no hydrogen 3.286 N/A TRP 209.A N LEU 206.A O no hydrogen 2.883 N/A ARG 210.A NH2 HIS 241.A NE2 no hydrogen 3.069 N/A ASN 216.A N MET 220.A O no hydrogen 3.073 N/A GLY 217.A N CYS 186.A O no hydrogen 2.890 N/A MET 220.A N ASN 216.A OD1 no hydrogen 2.686 N/A LYS 224.A NZ GLY 219.A O no hydrogen 3.556 N/A LYS 224.A NZ ILE 335.A O no hydrogen 3.528 N/A VAL 225.A N THR 221.A O no hydrogen 3.167 N/A ALA 226.A N PRO 222.A O no hydrogen 2.925 N/A ALA 227.A N LEU 223.A O no hydrogen 2.880 N/A GLU 228.A N LYS 224.A O no hydrogen 2.866 N/A SER 229.A N VAL 225.A O no hydrogen 2.932 N/A SER 229.A OG VAL 225.A O no hydrogen 2.760 N/A CYS 230.A N ALA 227.A O no hydrogen 3.069 N/A CYS 230.A SG GLU 228.A O no hydrogen 3.830 N/A CYS 230.A SG SER 259.A O no hydrogen 3.248 N/A LYS 231.A N ALA 226.A O no hydrogen 3.225 N/A LYS 231.A NZ GLU 196.A O no hydrogen 3.275 N/A LYS 231.A NZ SER 229.A O no hydrogen 2.656 N/A GLU 236.A N ALA 232.A O no hydrogen 3.215 N/A SER 240.A OG LEU 237.A O no hydrogen 2.786 N/A HIS 241.A N LEU 238.A O no hydrogen 3.231 N/A ARG 246.A NH2 GLU 282.A O no hydrogen 2.363 N/A ILE 250.A N ARG 246.A O no hydrogen 3.008 N/A GLU 251.A N ARG 247.A O no hydrogen 2.919 N/A ALA 252.A N SER 248.A O no hydrogen 2.921 N/A LEU 253.A N ARG 249.A O no hydrogen 2.939 N/A GLU 254.A N ILE 250.A O no hydrogen 2.905 N/A LEU 255.A N GLU 251.A O no hydrogen 2.910 N/A LEU 256.A N ALA 252.A O no hydrogen 2.903 N/A GLY 257.A N LEU 253.A O no hydrogen 2.919 N/A ALA 258.A N GLU 254.A O no hydrogen 2.899 N/A SER 259.A N LEU 255.A O no hydrogen 2.875 N/A SER 259.A OG ALA 227.A O no hydrogen 3.270 N/A SER 259.A OG GLU 228.A O no hydrogen 3.430 N/A SER 259.A OG LEU 255.A O no hydrogen 3.144 N/A PHE 260.A N LEU 256.A O no hydrogen 2.916 N/A ALA 261.A N GLY 257.A O no hydrogen 2.948 N/A ASN 262.A N ALA 258.A O no hydrogen 3.257 N/A GLU 265.A N GLU 265.A OE1 no hydrogen 3.047 N/A TYR 267.A OH HIS 325.A NE2 no hydrogen 2.494 N/A ASP 268.A N PHE 260.A O no hydrogen 3.399 N/A THR 272.A OG1 ASP 268.A O no hydrogen 2.641 N/A TYR 273.A N ILE 269.A O no hydrogen 2.936 N/A HIS 274.A N ILE 270.A O no hydrogen 2.902 N/A TYR 275.A N LYS 271.A O no hydrogen 2.915 N/A LEU 276.A N THR 272.A O no hydrogen 2.913 N/A TYR 277.A N TYR 273.A O no hydrogen 2.854 N/A LEU 278.A N HIS 274.A O no hydrogen 2.931 N/A ALA 279.A N TYR 275.A O no hydrogen 2.927 N/A MET 280.A N LEU 276.A O no hydrogen 2.920 N/A LEU 281.A N TYR 277.A O no hydrogen 2.824 N/A GLU 282.A N LEU 278.A O no hydrogen 2.934 N/A ARG 283.A N ALA 279.A O no hydrogen 2.913 N/A ARG 283.A NE GLU 254.A OE2 no hydrogen 2.341 N/A ARG 283.A NH1 LEU 291.A O no hydrogen 2.850 N/A ARG 283.A NH2 GLU 254.A OE1 no hydrogen 3.442 N/A PHE 284.A N MET 280.A O no hydrogen 2.915 N/A LEU 291.A N ARG 283.A O no hydrogen 3.178 N/A GLU 294.A N GLU 294.A OE1 no hydrogen 2.819 N/A TYR 302.A OH GLU 333.A OE1 no hydrogen 2.880 N/A CYS 308.A N GLU 307.A OE1 no hydrogen 2.531 N/A CYS 308.A SG GLU 307.A O no hydrogen 3.094 N/A CYS 308.A SG GLU 313.A O no hydrogen 3.201 N/A CYS 308.A SG GLU 327.A OE2 no hydrogen 3.388 N/A GLU 313.A N ASN 310.A O no hydrogen 2.986 N/A GLU 315.A N PRO 311.A O no hydrogen 3.467 N/A SER 316.A OG GLN 312.A O no hydrogen 2.994 N/A ILE 317.A N LEU 314.A O no hydrogen 3.346 N/A HIS 325.A N ARG 321.A O no hydrogen 3.139 N/A HIS 325.A NE2 TYR 267.A OH no hydrogen 2.494 N/A MET 326.A N ASP 322.A O no hydrogen 2.947 N/A GLU 327.A N ALA 323.A O no hydrogen 2.893 N/A GLY 328.A N LEU 324.A O no hydrogen 2.878 N/A LEU 329.A N HIS 325.A O no hydrogen 2.936 N/A ILE 330.A N MET 326.A O no hydrogen 2.927 N/A VAL 331.A N GLU 327.A O no hydrogen 2.921 N/A ARG 332.A N GLY 328.A O no hydrogen 2.932 N/A ARG 332.A NH2 ASP 342.A O no hydrogen 2.780 N/A GLU 333.A N LEU 329.A O no hydrogen 2.902 N/A ARG 334.A N ILE 330.A O no hydrogen 2.915 N/A ARG 334.A NH1 GLU 254.A OE1 no hydrogen 3.277 N/A ARG 334.A NH2 GLU 254.A OE1 no hydrogen 2.856 N/A ILE 335.A N VAL 331.A O no hydrogen 2.933 N/A LEU 336.A N ARG 332.A O no hydrogen 2.945 N/A ILE 341.A N ASN 340.A OD1 no hydrogen 2.698 N/A ILE 348.A N SER 344.A O no hydrogen 2.938 N/A TYR 349.A N HIS 345.A O no hydrogen 2.917 N/A ARG 350.A N PRO 346.A O no hydrogen 2.898 N/A GLY 351.A N ILE 347.A O no hydrogen 2.906 N/A ALA 352.A N ILE 348.A O no hydrogen 2.900 N/A VAL 353.A N TYR 349.A O no hydrogen 2.924 N/A TYR 354.A N ARG 350.A O no hydrogen 2.915 N/A TYR 354.A OH ASP 322.A OD1 no hydrogen 2.694 N/A ALA 355.A N GLY 351.A O no hydrogen 2.877 N/A ASP 356.A N ALA 352.A O no hydrogen 2.904 N/A ASN 357.A N VAL 353.A O no hydrogen 2.973 N/A MET 358.A N ALA 355.A O no hydrogen 3.286 N/A GLU 359.A N TYR 354.A O no hydrogen 2.728 N/A GLU 361.A N GLU 361.A OE1 no hydrogen 3.066 N/A CYS 363.A N GLU 359.A O no hydrogen 2.981 N/A CYS 363.A SG GLY 351.A O no hydrogen 3.079 N/A ILE 364.A N PHE 360.A O no hydrogen 2.899 N/A LYS 365.A N GLU 361.A O no hydrogen 2.953 N/A LEU 366.A N GLN 362.A O no hydrogen 2.921 N/A TRP 367.A N CYS 363.A O no hydrogen 2.897 N/A TRP 367.A NE1 ILE 348.A O no hydrogen 2.777 N/A LEU 368.A N ILE 364.A O no hydrogen 2.898 N/A HIS 369.A N LYS 365.A O no hydrogen 3.003 N/A HIS 369.A NE2 GLU 333.A OE1 no hydrogen 2.927 N/A ALA 370.A N LEU 366.A O no hydrogen 2.873 N/A LEU 371.A N TRP 367.A O no hydrogen 2.897 N/A HIS 372.A N LEU 368.A O no hydrogen 2.923 N/A LEU 373.A N HIS 369.A O no hydrogen 2.927 N/A ARG 374.A N ALA 370.A O no hydrogen 2.923 N/A GLN 375.A N LEU 371.A O no hydrogen 2.843 N/A LYS 376.A N HIS 372.A O no hydrogen 2.947 N/A GLY 377.A N LEU 373.A O no hydrogen 3.122 N/A ASN 378.A N GLN 375.A O no hydrogen 3.282 N/A ARG 379.A N ARG 374.A O no hydrogen 3.015 N/A ARG 379.A NH1 GLY 377.A O no hydrogen 2.530 N/A THR 381.A OG1 GLN 375.A OE1 no hydrogen 3.132 N/A ARG 387.A N LYS 383.A O no hydrogen 2.910 N/A PHE 388.A N ASP 384.A O no hydrogen 2.931 N/A ALA 389.A N LEU 385.A O no hydrogen 2.896 N/A GLN 390.A N LEU 386.A O no hydrogen 2.933 N/A VAL 391.A N ARG 387.A O no hydrogen 2.903 N/A PHE 392.A N PHE 388.A O no hydrogen 2.886 N/A SER 393.A N ALA 389.A O no hydrogen 2.908 N/A SER 393.A OG ALA 389.A O no hydrogen 3.244 N/A SER 393.A OG GLN 390.A O no hydrogen 2.647 N/A GLN 394.A N GLN 390.A O no hydrogen 2.913 N/A MET 395.A N VAL 391.A O no hydrogen 2.864 N/A ILE 396.A N PHE 392.A O no hydrogen 2.912 N/A HIS 397.A N SER 393.A O no hydrogen 2.884 N/A LEU 398.A N GLN 394.A O no hydrogen 3.049 N/A LEU 398.A N MET 395.A O no hydrogen 3.116 N/A ASN 399.A N ILE 396.A O no hydrogen 2.968 N/A GLU 400.A N MET 395.A O no hydrogen 2.997 N/A ILE 407.A N LYS 403.A O no hydrogen 3.417 N/A GLU 408.A N ALA 404.A O no hydrogen 2.884 N/A CYS 409.A N PRO 405.A O no hydrogen 2.906 N/A CYS 409.A SG PRO 405.A O no hydrogen 3.364 N/A VAL 410.A N ASP 406.A O no hydrogen 2.919 N/A LEU 411.A N ILE 407.A O no hydrogen 2.870 N/A ARG 412.A N GLU 408.A O no hydrogen 2.887 N/A ARG 412.A NH2 HIS 372.A NE2 no hydrogen 3.487 N/A CYS 413.A N CYS 409.A O no hydrogen 2.943 N/A SER 414.A N VAL 410.A O no hydrogen 2.831 N/A VAL 415.A N LEU 411.A O no hydrogen 2.901 N/A LEU 416.A N ARG 412.A O no hydrogen 2.973 N/A GLU 417.A N CYS 413.A O no hydrogen 2.864 N/A ILE 418.A N SER 414.A O no hydrogen 2.861 N/A GLU 419.A N VAL 415.A O no hydrogen 2.950 N/A GLN 420.A N LEU 416.A O no hydrogen 2.926 N/A GLN 420.A NE2 ARG 379.A O no hydrogen 3.566 N/A SER 421.A N GLU 417.A O no hydrogen 2.824 N/A MET 422.A N ILE 418.A O no hydrogen 2.889 N/A ASN 423.A N GLU 419.A O no hydrogen 2.956 N/A ARG 424.A N GLN 420.A O no hydrogen 2.874 N/A VAL 425.A N SER 421.A O no hydrogen 2.881 N/A LYS 426.A N MET 422.A O no hydrogen 2.928 N/A ASN 427.A N ARG 424.A O no hydrogen 3.079 N/A ILE 428.A N ARG 424.A O no hydrogen 2.743 N/A ALA 436.A N ASP 432.A O no hydrogen 2.823 N/A MET 437.A N VAL 433.A O no hydrogen 2.921 N/A ASP 438.A N HIS 434.A O no hydrogen 2.903 N/A ASN 439.A N ASN 435.A O no hydrogen 2.915 N/A ASN 439.A ND2 ASN 435.A O no hydrogen 2.371 N/A ASN 439.A ND2 ASN 435.A OD1 no hydrogen 2.704 N/A TYR 440.A N ALA 436.A O no hydrogen 2.886 N/A GLU 441.A N MET 437.A O no hydrogen 2.907 N/A CYS 442.A N ASP 438.A O no hydrogen 2.919 N/A ASN 443.A N ASN 439.A O no hydrogen 2.879 N/A LEU 444.A N TYR 440.A O no hydrogen 2.964 N/A TYR 445.A N GLU 441.A O no hydrogen 2.931 N/A THR 446.A N CYS 442.A O no hydrogen 2.899 N/A THR 446.A OG1 CYS 442.A O no hydrogen 3.167 N/A THR 446.A OG1 ASN 443.A O no hydrogen 2.547 N/A PHE 447.A N ASN 443.A O no hydrogen 2.923 N/A LEU 448.A N LEU 444.A O no hydrogen 2.954 N/A TYR 449.A N TYR 445.A O no hydrogen 2.910 N/A TYR 449.A OH PRO 497.A O no hydrogen 2.267 N/A LEU 450.A N THR 446.A O no hydrogen 2.914 N/A VAL 451.A N PHE 447.A O no hydrogen 2.893 N/A CYS 452.A N LEU 448.A O no hydrogen 2.907 N/A CYS 452.A SG VAL 506.A O no hydrogen 4.004 N/A CYS 452.A SG ASN 511.A OD1 no hydrogen 3.145 N/A ILE 453.A N TYR 449.A O no hydrogen 2.905 N/A SER 454.A N LEU 450.A O no hydrogen 2.880 N/A THR 455.A N VAL 451.A O no hydrogen 2.939 N/A THR 455.A OG1 CYS 452.A O no hydrogen 2.498 N/A LYS 456.A N CYS 452.A O no hydrogen 3.180 N/A LYS 456.A N ILE 453.A O no hydrogen 2.973 N/A THR 457.A N SER 454.A O no hydrogen 3.283 N/A THR 457.A OG1 ILE 453.A O no hydrogen 3.049 N/A CYS 459.A SG THR 457.A O no hydrogen 3.705 N/A SER 460.A OG ASP 463.A OD2 no hydrogen 3.093 N/A GLN 464.A N SER 460.A O no hydrogen 3.134 N/A CYS 465.A N GLU 461.A O no hydrogen 2.922 N/A CYS 465.A SG GLU 461.A O no hydrogen 3.363 N/A LYS 466.A N GLU 462.A O no hydrogen 2.909 N/A ILE 467.A N ASP 463.A O no hydrogen 2.954 N/A ASN 468.A N GLN 464.A O no hydrogen 2.891 N/A LYS 469.A N CYS 465.A O no hydrogen 2.867 N/A GLN 470.A N LYS 466.A O no hydrogen 2.974 N/A ILE 471.A N ILE 467.A O no hydrogen 2.953 N/A TYR 472.A N ASN 468.A O no hydrogen 2.794 N/A ASN 473.A N LYS 469.A O no hydrogen 2.921 N/A LEU 474.A N GLN 470.A O no hydrogen 3.004 N/A ILE 475.A N ILE 471.A O no hydrogen 2.828 N/A HIS 476.A N TYR 472.A O no hydrogen 2.928 N/A LEU 477.A N ASN 473.A O no hydrogen 2.937 N/A ASP 478.A N LEU 474.A O no hydrogen 3.227 N/A ASP 478.A N ILE 475.A O no hydrogen 2.821 N/A ARG 480.A N TYR 440.A OH no hydrogen 3.324 N/A ARG 480.A NH1 ASP 478.A OD2 no hydrogen 3.534 N/A THR 481.A N PHE 485.A O no hydrogen 2.989 N/A THR 481.A OG1 GLU 483.A OE1 no hydrogen 3.462 N/A THR 481.A OG1 PHE 485.A O no hydrogen 3.465 N/A GLY 484.A N THR 481.A O no hydrogen 3.161 N/A PHE 485.A N THR 481.A OG1 no hydrogen 3.279 N/A THR 486.A N HIS 489.A ND1 no hydrogen 3.032 N/A THR 486.A OG1 PRO 479.A O no hydrogen 3.523 N/A LEU 487.A N THR 486.A OG1 no hydrogen 2.635 N/A HIS 489.A NE2 ALA 527.A O no hydrogen 2.856 N/A VAL 492.A N HIS 489.A O no hydrogen 3.333 N/A ASN 493.A N HIS 489.A O no hydrogen 2.934 N/A ASN 495.A N ASN 493.A OD1 no hydrogen 3.384 N/A PHE 501.A N ASP 499.A OD2 no hydrogen 3.182 N/A THR 503.A OG1 ASP 499.A O no hydrogen 2.841 N/A ASN 504.A N PHE 501.A O no hydrogen 3.211 N/A ASN 504.A ND2 ASP 499.A O no hydrogen 2.358 N/A ASP 505.A N HIS 502.A O no hydrogen 2.916 N/A VAL 506.A N THR 503.A O no hydrogen 3.478 N/A CYS 507.A N THR 503.A O no hydrogen 3.027 N/A CYS 507.A SG TYR 449.A O no hydrogen 3.326 N/A SER 508.A OG SER 508.A O no hydrogen 2.518 N/A ASN 511.A N ALA 491.A O no hydrogen 3.436 N/A THR 515.A N ASN 511.A O no hydrogen 3.169 N/A THR 515.A OG1 ASN 511.A O no hydrogen 3.169 N/A LYS 516.A N ALA 512.A O no hydrogen 2.895 N/A LYS 516.A NZ ASP 520.A OD1 no hydrogen 3.075 N/A LEU 517.A N LEU 513.A O no hydrogen 2.901 N/A LEU 518.A N VAL 514.A O no hydrogen 2.899 N/A LEU 519.A N THR 515.A O no hydrogen 2.883 N/A ASP 520.A N LYS 516.A O no hydrogen 2.915 N/A CYS 521.A N LEU 518.A O no hydrogen 2.912 N/A CYS 521.A SG ASN 468.A O no hydrogen 3.460 N/A CYS 521.A SG ASN 468.A OD1 no hydrogen 3.901 N/A CYS 521.A SG LEU 517.A O no hydrogen 3.254 N/A ASN 526.A ND2 GLY 563.A O no hydrogen 3.030 N/A ALA 527.A N GLU 524.A O no hydrogen 3.266 N/A ASN 530.A ND2 ARG 482.A O no hydrogen 3.309 N/A GLY 532.A N ASP 529.A OD1 no hydrogen 2.660 N/A SER 534.A N HIS 537.A ND1 no hydrogen 3.243 N/A VAL 540.A N LEU 536.A O no hydrogen 3.453 N/A GLN 541.A N ILE 538.A O no hydrogen 3.295 N/A TYR 542.A N ILE 539.A O no hydrogen 2.975 N/A TYR 542.A OH ASP 548.A OD2 no hydrogen 2.754 N/A LEU 552.A N ASP 548.A O no hydrogen 2.906 N/A HIS 553.A N PHE 549.A O no hydrogen 2.410 N/A SER 554.A N LEU 550.A O no hydrogen 2.714 N/A ILE 555.A N LEU 552.A O no hydrogen 2.986 N/A ILE 556.A N LEU 552.A O no hydrogen 2.878 N/A ILE 556.A N HIS 553.A O no hydrogen 2.968 N/A ILE 557.A N HIS 553.A O no hydrogen 2.894 N/A SER 558.A OG SER 554.A O no hydrogen 2.910 N/A GLU 561.A N ILE 557.A O no hydrogen 3.101 N/A ALA 562.A N LEU 559.A O no hydrogen 3.245 N/A GLY 563.A N LEU 559.A O no hydrogen 3.374 N/A ALA 564.A N LEU 559.A O no hydrogen 3.122 N/A HIS 565.A N ASN 526.A OD1 no hydrogen 3.364 N/A HIS 565.A NE2 HIS 627.A NE2 no hydrogen 2.923 N/A THR 569.A N PHE 626.A O no hydrogen 3.276 N/A ASN 570.A ND2 ASN 533.A OD1 no hydrogen 2.869 N/A LYS 571.A NZ ASN 530.A O no hydrogen 2.771 N/A ASN 573.A N ASN 570.A O no hydrogen 3.213 N/A LYS 574.A N ASN 570.A OD1 no hydrogen 3.048 N/A ASP 578.A N THR 575.A O no hydrogen 2.621 N/A LYS 579.A N THR 575.A O no hydrogen 3.111 N/A SER 580.A OG THR 582.A O no hydrogen 3.161 N/A THR 581.A OG1 SER 580.A O no hydrogen 2.478 N/A THR 582.A OG1 TYR 542.A O no hydrogen 3.413 N/A THR 582.A OG1 THR 581.A O no hydrogen 2.602 N/A GLU 586.A N THR 582.A O no hydrogen 3.025 N/A ILE 587.A N GLY 583.A O no hydrogen 2.950 N/A LEU 588.A N VAL 584.A O no hydrogen 2.882 N/A LEU 589.A N SER 585.A O no hydrogen 2.905 N/A LYS 590.A N GLU 586.A O no hydrogen 2.887 N/A THR 591.A N ILE 587.A O no hydrogen 2.926 N/A GLN 592.A N LEU 589.A O no hydrogen 3.062 N/A MET 593.A N LYS 590.A O no hydrogen 3.240 N/A CYS 599.A SG HIS 565.A NE2 no hydrogen 2.871 N/A CYS 599.A SG HIS 627.A NE2 no hydrogen 2.899 N/A LEU 600.A N SER 596.A O no hydrogen 3.340 N/A ALA 601.A N LEU 597.A O no hydrogen 2.901 N/A ALA 602.A N LYS 598.A O no hydrogen 2.881 N/A ARG 603.A N CYS 599.A O no hydrogen 2.902 N/A ARG 603.A NE ASP 567.A OD2 no hydrogen 2.739 N/A ARG 603.A NH2 ASP 567.A OD2 no hydrogen 2.472 N/A ALA 604.A N LEU 600.A O no hydrogen 2.922 N/A VAL 605.A N ALA 601.A O no hydrogen 2.877 N/A ARG 606.A N ALA 602.A O no hydrogen 2.907 N/A ARG 606.A NE HIS 627.A O no hydrogen 2.435 N/A ARG 606.A NH2 HIS 627.A O no hydrogen 3.218 N/A ALA 607.A N ARG 603.A O no hydrogen 2.932 N/A ILE 610.A N VAL 605.A O no hydrogen 3.455 N/A ASP 614.A N GLU 621.A OE2 no hydrogen 2.945 N/A LEU 620.A N PRO 617.A O no hydrogen 2.752 N/A GLU 621.A N PRO 617.A O no hydrogen 3.251 N/A VAL 624.A N LEU 620.A O no hydrogen 2.846 N/A GLY 625.A N GLU 621.A O no hydrogen 2.911 N/A PHE 626.A N GLU 622.A O no hydrogen 2.918 N/A PHE 626.A N PHE 623.A O no hydrogen 3.210 N/A HIS 627.A ND1 PHE 623.A O no hydrogen 2.924 N/A HIS 627.A NE2 HIS 565.A NE2 no hydrogen 2.923 N/A