Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wqi_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N GLY 3.A O no hydrogen 2.790 N/A TYR 9.A N ALA 5.A O no hydrogen 2.935 N/A LYS 10.A N GLY 6.A O no hydrogen 2.889 N/A LYS 10.A NZ GLY 6.A O no hydrogen 2.966 N/A ALA 11.A N TYR 7.A O no hydrogen 2.915 N/A ALA 12.A N VAL 8.A O no hydrogen 2.905 N/A SER 13.A N TYR 9.A O no hydrogen 2.899 N/A LYS 16.A N ALA 11.A O no hydrogen 2.420 N/A ALA 21.A N VAL 17.A O no hydrogen 2.922 N/A ALA 22.A N LEU 18.A O no hydrogen 2.900 N/A LEU 23.A N THR 19.A O no hydrogen 2.865 N/A LEU 24.A N LEU 20.A O no hydrogen 2.949 N/A ARG 27.A NH1 LEU 25.A O no hydrogen 3.260 N/A SER 28.A OG ASP 31.A OD1 no hydrogen 3.433 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.899 N/A ILE 32.A N SER 28.A O no hydrogen 3.035 N/A ARG 33.A N GLU 29.A O no hydrogen 2.967 N/A TYR 34.A N SER 30.A O no hydrogen 2.919 N/A TYR 34.A OH GLU 2.A O no hydrogen 2.994 N/A LEU 35.A N ASP 31.A O no hydrogen 2.878 N/A LEU 36.A N ILE 32.A O no hydrogen 2.931 N/A GLY 37.A N ARG 33.A O no hydrogen 2.935 N/A TYR 38.A N LEU 35.A O no hydrogen 3.294 N/A SER 40.A OG VAL 39.A O no hydrogen 3.095 N/A GLN 45.A N GLN 42.A O no hydrogen 3.157 N/A SER 47.A OG GLN 42.A OE1 no hydrogen 2.815 N/A SER 47.A OG SER 47.A O no hydrogen 2.363 N/A ILE 51.A N THR 48.A O no hydrogen 3.376 N/A ALA 53.A N PRO 49.A O no hydrogen 2.937 N/A ARG 55.A N ILE 51.A O no hydrogen 2.902 N/A ARG 55.A NE ARG 80.A O no hydrogen 3.160 N/A ARG 55.A NH2 ARG 80.A O no hydrogen 2.407 N/A ASN 56.A N ILE 52.A O no hydrogen 3.431 N/A GLY 57.A N ALA 54.A O no hydrogen 3.302 N/A HIS 58.A N ALA 53.A O no hydrogen 3.239 N/A ARG 63.A N ALA 59.A O no hydrogen 2.856 N/A ARG 63.A NE ARG 63.A O no hydrogen 3.054 N/A ARG 63.A NH2 HIS 110.A NE2 no hydrogen 3.378 N/A LEU 64.A N LYS 60.A O no hydrogen 2.947 N/A LEU 65.A N VAL 61.A O no hydrogen 3.029 N/A LEU 66.A N ARG 63.A O no hydrogen 3.333 N/A VAL 71.A N LEU 65.A O no hydrogen 3.430 N/A THR 73.A OG1 GLN 74.A OE1 no hydrogen 2.651 N/A THR 78.A OG1 GLY 44.A O no hydrogen 3.299 N/A ILE 86.A N VAL 79.A O no hydrogen 3.314 N/A ALA 89.A N GLY 77.A O no hydrogen 2.471 N/A THR 90.A OG1 THR 73.A O no hydrogen 2.369 N/A TRP 93.A NE1 SER 122.A O no hydrogen 2.663 N/A CYS 94.A N THR 90.A O no hydrogen 3.158 N/A CYS 94.A SG ILE 51.A O no hydrogen 3.570 N/A CYS 94.A SG THR 90.A O no hydrogen 3.231 N/A CYS 94.A SG ALA 91.A O no hydrogen 3.297 N/A ALA 95.A N ALA 91.A O no hydrogen 2.888 N/A ALA 96.A N LEU 92.A O no hydrogen 2.909 N/A GLY 97.A N TRP 93.A O no hydrogen 2.897 N/A ALA 98.A N CYS 94.A O no hydrogen 2.900 N/A GLY 99.A N ALA 95.A O no hydrogen 2.731 N/A HIS 100.A N ALA 95.A O no hydrogen 3.138 N/A HIS 100.A NE2 ARG 55.A O no hydrogen 3.194 N/A LYS 105.A N PHE 101.A O no hydrogen 2.936 N/A LEU 106.A N GLU 102.A O no hydrogen 3.082 N/A LEU 106.A N VAL 103.A O no hydrogen 2.997 N/A LEU 107.A N VAL 104.A O no hydrogen 3.005 N/A VAL 108.A N VAL 104.A O no hydrogen 3.068 N/A SER 109.A OG LYS 105.A O no hydrogen 2.760 N/A GLY 111.A N LEU 107.A O no hydrogen 3.187 N/A GLY 111.A N VAL 108.A O no hydrogen 3.013 N/A ASN 115.A ND2 ASN 146.A OD1 no hydrogen 2.429 N/A HIS 116.A N ASN 113.A O no hydrogen 3.107 N/A HIS 116.A ND1 THR 117.A O no hydrogen 2.731 N/A THR 118.A OG1 ASP 87.A O no hydrogen 2.315 N/A THR 118.A OG1 ASP 87.A OD1 no hydrogen 2.376 N/A VAL 119.A N ASP 87.A OD1 no hydrogen 2.870 N/A VAL 119.A N THR 118.A OG1 no hydrogen 2.594 N/A THR 120.A OG1 SER 122.A OG no hydrogen 3.071 N/A ASN 121.A N THR 118.A O no hydrogen 3.114 N/A SER 122.A OG THR 120.A OG1 no hydrogen 3.071 N/A ARG 126.A NE ASN 155.A O no hydrogen 2.780 N/A ARG 126.A NH2 ASN 155.A O no hydrogen 3.392 N/A ALA 127.A N THR 123.A O no hydrogen 3.158 N/A ALA 128.A N PRO 124.A O no hydrogen 2.967 N/A CYS 129.A N LEU 125.A O no hydrogen 2.904 N/A CYS 129.A SG LEU 125.A O no hydrogen 3.492 N/A CYS 129.A SG CYS 157.A O no hydrogen 3.798 N/A PHE 130.A N ARG 126.A O no hydrogen 2.889 N/A ASP 131.A N ALA 127.A O no hydrogen 2.917 N/A GLY 132.A N ALA 128.A O no hydrogen 2.687 N/A ARG 133.A NH1 GLY 99.A O no hydrogen 3.277 N/A ARG 133.A NH2 ASP 135.A OD2 no hydrogen 2.801 N/A LYS 138.A N LEU 134.A O no hydrogen 3.105 N/A TYR 139.A N ASP 135.A O no hydrogen 3.073 N/A LEU 140.A N ILE 136.A O no hydrogen 2.900 N/A VAL 141.A N VAL 137.A O no hydrogen 2.931 N/A GLU 142.A N LYS 138.A O no hydrogen 2.907 N/A ASN 143.A N LEU 140.A O no hydrogen 2.941 N/A ASN 144.A N VAL 141.A O no hydrogen 2.941 N/A ILE 149.A N ASN 146.A O no hydrogen 3.202 N/A ASN 151.A ND2 ASN 155.A OD1 no hydrogen 3.190 N/A LYS 152.A N THR 120.A O no hydrogen 3.111 N/A MET 159.A N THR 156.A O no hydrogen 2.755 N/A ALA 161.A N CYS 157.A O no hydrogen 3.036 N/A ALA 162.A N LEU 158.A O no hydrogen 2.852 N/A LYS 164.A N ILE 160.A O no hydrogen 3.345 N/A LYS 164.A NZ PHE 130.A O no hydrogen 3.123 N/A VAL 170.A N HIS 166.A O no hydrogen 3.321 N/A ARG 171.A N THR 167.A O no hydrogen 2.894 N/A ARG 171.A NE ARG 171.A O no hydrogen 3.211 N/A TYR 172.A N ASP 168.A O no hydrogen 2.940 N/A LEU 173.A N VAL 169.A O no hydrogen 2.829 N/A LEU 174.A N VAL 170.A O no hydrogen 2.935 N/A GLU 175.A N ARG 171.A O no hydrogen 2.909 N/A GLN 176.A N LEU 173.A O no hydrogen 3.042 N/A ALA 182.A N ASP 179.A O no hydrogen 3.354 N/A HIS 185.A N TYR 153.A O no hydrogen 3.299 N/A HIS 185.A ND1 TYR 153.A O no hydrogen 3.136 N/A HIS 192.A N THR 189.A O no hydrogen 2.665 N/A ALA 195.A N LEU 191.A O no hydrogen 2.878 N/A GLU 196.A N HIS 192.A O no hydrogen 2.887 N/A ALA 197.A N PHE 193.A O no hydrogen 2.924 N/A GLY 198.A N ALA 194.A O no hydrogen 2.661 N/A HIS 199.A N ALA 194.A O no hydrogen 3.230 N/A LYS 204.A N ILE 200.A O no hydrogen 2.908 N/A GLU 205.A N ASP 201.A O no hydrogen 2.941 N/A LEU 206.A N ILE 202.A O no hydrogen 2.896 N/A ILE 207.A N VAL 203.A O no hydrogen 2.912 N/A LYS 208.A N LYS 204.A O no hydrogen 2.916 N/A TRP 209.A N LEU 206.A O no hydrogen 3.070 N/A ARG 210.A N ILE 207.A O no hydrogen 3.349 N/A ARG 210.A NH1 ILE 207.A O no hydrogen 2.794 N/A ALA 211.A N LEU 206.A O no hydrogen 3.015 N/A ASN 216.A N MET 220.A O no hydrogen 2.459 N/A ASN 216.A ND2 HIS 192.A ND1 no hydrogen 3.157 N/A GLY 217.A N CYS 186.A O no hydrogen 3.059 N/A HIS 218.A N ASN 216.A OD1 no hydrogen 3.276 N/A GLY 219.A N ASN 216.A O no hydrogen 3.133 N/A LYS 224.A NZ GLY 219.A O no hydrogen 2.597 N/A VAL 225.A N THR 221.A O no hydrogen 2.876 N/A ALA 226.A N PRO 222.A O no hydrogen 2.910 N/A ALA 227.A N LEU 223.A O no hydrogen 2.910 N/A GLU 228.A N LYS 224.A O no hydrogen 2.864 N/A SER 229.A OG GLU 196.A OE2 no hydrogen 2.366 N/A CYS 230.A N ALA 227.A O no hydrogen 3.393 N/A CYS 230.A SG SER 259.A O no hydrogen 3.195 N/A LYS 231.A N ALA 226.A O no hydrogen 3.383 N/A LYS 231.A NZ GLU 196.A O no hydrogen 3.158 N/A LYS 231.A NZ SER 229.A O no hydrogen 3.520 N/A VAL 234.A N ASP 233.A OD1 no hydrogen 2.628 N/A GLU 236.A N ALA 232.A O no hydrogen 3.486 N/A LEU 238.A N VAL 234.A O no hydrogen 3.068 N/A LEU 239.A N VAL 235.A O no hydrogen 2.754 N/A SER 240.A N LEU 237.A O no hydrogen 3.025 N/A SER 240.A OG LEU 237.A O no hydrogen 2.742 N/A CYS 244.A SG LEU 238.A O no hydrogen 3.989 N/A CYS 244.A SG ASP 243.A OD1 no hydrogen 3.587 N/A ARG 246.A NH2 GLU 282.A O no hydrogen 2.513 N/A SER 248.A N ASP 245.A O no hydrogen 3.296 N/A SER 248.A OG CYS 244.A O no hydrogen 2.975 N/A ARG 249.A N ASP 245.A O no hydrogen 3.165 N/A ILE 250.A N ARG 246.A O no hydrogen 3.063 N/A ALA 252.A N SER 248.A O no hydrogen 2.875 N/A LEU 253.A N ARG 249.A O no hydrogen 2.958 N/A LEU 255.A N GLU 251.A O no hydrogen 2.885 N/A LEU 256.A N ALA 252.A O no hydrogen 2.944 N/A GLY 257.A N LEU 253.A O no hydrogen 2.928 N/A ALA 258.A N GLU 254.A O no hydrogen 2.882 N/A SER 259.A N LEU 255.A O no hydrogen 2.872 N/A SER 259.A OG ALA 227.A O no hydrogen 3.383 N/A SER 259.A OG GLU 228.A O no hydrogen 3.445 N/A SER 259.A OG LEU 255.A O no hydrogen 2.603 N/A PHE 260.A N LEU 256.A O no hydrogen 2.930 N/A GLU 265.A N GLU 265.A OE1 no hydrogen 3.013 N/A ASN 266.A ND2 CYS 230.A O no hydrogen 3.304 N/A TYR 267.A OH HIS 325.A NE2 no hydrogen 3.426 N/A THR 272.A N ILE 269.A O no hydrogen 3.029 N/A THR 272.A OG1 ASP 268.A O no hydrogen 2.753 N/A TYR 273.A N ILE 269.A O no hydrogen 3.339 N/A LEU 276.A N THR 272.A O no hydrogen 2.972 N/A TYR 277.A N TYR 273.A O no hydrogen 2.870 N/A LEU 278.A N HIS 274.A O no hydrogen 2.939 N/A ALA 279.A N TYR 275.A O no hydrogen 2.887 N/A MET 280.A N LEU 276.A O no hydrogen 2.959 N/A LEU 281.A N TYR 277.A O no hydrogen 2.920 N/A GLU 282.A N ALA 279.A O no hydrogen 3.369 N/A ARG 283.A N MET 280.A O no hydrogen 2.965 N/A ARG 283.A NH2 GLU 254.A OE2 no hydrogen 2.327 N/A PHE 284.A N MET 280.A O no hydrogen 2.931 N/A LEU 291.A N ARG 283.A O no hydrogen 3.126 N/A HIS 300.A ND1 ASN 304.A OD1 no hydrogen 3.149 N/A TYR 302.A OH GLU 333.A OE1 no hydrogen 2.422 N/A ARG 305.A N TYR 302.A O no hydrogen 3.029 N/A THR 306.A OG1 GLU 307.A O no hydrogen 3.549 N/A CYS 308.A SG GLU 313.A O no hydrogen 3.373 N/A CYS 308.A SG GLU 313.A OE2 no hydrogen 3.678 N/A ASN 310.A ND2 GLU 313.A OE1 no hydrogen 2.500 N/A LEU 314.A N ASN 310.A O no hydrogen 2.889 N/A GLU 315.A N PRO 311.A O no hydrogen 3.043 N/A SER 316.A N GLN 312.A O no hydrogen 3.144 N/A SER 316.A N GLU 313.A O no hydrogen 3.255 N/A ILE 317.A N LEU 314.A O no hydrogen 2.933 N/A ASP 320.A N ILE 317.A O no hydrogen 3.234 N/A ARG 321.A NE TYR 267.A OH no hydrogen 2.944 N/A ARG 321.A NH2 TYR 267.A OH no hydrogen 2.647 N/A ASP 322.A N ASP 320.A OD1 no hydrogen 3.287 N/A ALA 323.A N ASP 320.A O no hydrogen 3.057 N/A LEU 324.A N ASP 320.A O no hydrogen 3.129 N/A GLU 327.A N ALA 323.A O no hydrogen 2.900 N/A GLY 328.A N LEU 324.A O no hydrogen 2.848 N/A LEU 329.A N HIS 325.A O no hydrogen 2.945 N/A ILE 330.A N MET 326.A O no hydrogen 2.902 N/A VAL 331.A N GLU 327.A O no hydrogen 2.916 N/A ARG 332.A N GLY 328.A O no hydrogen 2.909 N/A ARG 332.A NE SER 259.A OG no hydrogen 3.204 N/A GLU 333.A N LEU 329.A O no hydrogen 2.940 N/A ARG 334.A N ILE 330.A O no hydrogen 2.893 N/A ARG 334.A NE GLU 307.A OE1 no hydrogen 3.483 N/A ARG 334.A NH1 GLU 254.A OE1 no hydrogen 2.624 N/A ARG 334.A NH2 GLU 254.A OE2 no hydrogen 3.563 N/A ARG 334.A NH2 GLU 307.A OE1 no hydrogen 3.510 N/A ARG 334.A NH2 GLU 307.A OE2 no hydrogen 2.546 N/A ILE 335.A N VAL 331.A O no hydrogen 2.950 N/A LEU 336.A N ARG 332.A O no hydrogen 2.746 N/A ASN 340.A ND2 HIS 218.A O no hydrogen 3.663 N/A ASP 342.A N ASN 340.A OD1 no hydrogen 3.047 N/A ILE 348.A N SER 344.A O no hydrogen 3.135 N/A TYR 349.A N HIS 345.A O no hydrogen 2.911 N/A ARG 350.A N PRO 346.A O no hydrogen 2.916 N/A GLY 351.A N ILE 347.A O no hydrogen 2.941 N/A ALA 352.A N ILE 348.A O no hydrogen 2.853 N/A VAL 353.A N TYR 349.A O no hydrogen 2.916 N/A TYR 354.A N ARG 350.A O no hydrogen 2.946 N/A TYR 354.A OH ASP 322.A OD1 no hydrogen 2.218 N/A ALA 355.A N GLY 351.A O no hydrogen 2.880 N/A ASP 356.A N ALA 352.A O no hydrogen 2.873 N/A ASN 357.A N VAL 353.A O no hydrogen 2.938 N/A MET 358.A N ALA 355.A O no hydrogen 2.914 N/A GLU 359.A N TYR 354.A O no hydrogen 2.800 N/A CYS 363.A SG GLY 351.A O no hydrogen 3.183 N/A ILE 364.A N PHE 360.A O no hydrogen 2.926 N/A LEU 366.A N GLN 362.A O no hydrogen 2.931 N/A TRP 367.A N CYS 363.A O no hydrogen 2.908 N/A TRP 367.A NE1 ILE 348.A O no hydrogen 2.676 N/A LEU 368.A N ILE 364.A O no hydrogen 2.865 N/A HIS 369.A N LYS 365.A O no hydrogen 2.996 N/A ALA 370.A N LEU 366.A O no hydrogen 2.928 N/A LEU 371.A N TRP 367.A O no hydrogen 2.836 N/A HIS 372.A N LEU 368.A O no hydrogen 2.922 N/A LEU 373.A N HIS 369.A O no hydrogen 2.942 N/A ARG 374.A N ALA 370.A O no hydrogen 2.893 N/A GLN 375.A N LEU 371.A O no hydrogen 2.871 N/A GLN 375.A NE2 CYS 413.A O no hydrogen 2.529 N/A LYS 376.A N HIS 372.A O no hydrogen 2.931 N/A ARG 379.A N ARG 374.A O no hydrogen 3.285 N/A ARG 379.A NH1 GLY 377.A O no hydrogen 2.351 N/A THR 381.A OG1 GLU 417.A OE1 no hydrogen 2.581 N/A ARG 387.A N LYS 383.A O no hydrogen 2.931 N/A ARG 387.A NE LYS 383.A O no hydrogen 3.352 N/A PHE 388.A N ASP 384.A O no hydrogen 2.887 N/A ALA 389.A N LEU 385.A O no hydrogen 2.891 N/A GLN 390.A N LEU 386.A O no hydrogen 2.913 N/A GLN 390.A NE2 ASP 499.A OD1 no hydrogen 3.031 N/A VAL 391.A N ARG 387.A O no hydrogen 2.925 N/A PHE 392.A N PHE 388.A O no hydrogen 2.878 N/A SER 393.A N ALA 389.A O no hydrogen 2.889 N/A SER 393.A OG ALA 389.A O no hydrogen 2.927 N/A GLN 394.A N GLN 390.A O no hydrogen 2.925 N/A MET 395.A N VAL 391.A O no hydrogen 2.870 N/A ILE 396.A N PHE 392.A O no hydrogen 2.905 N/A HIS 397.A N SER 393.A O no hydrogen 2.886 N/A LEU 398.A N GLN 394.A O no hydrogen 3.293 N/A GLU 400.A N MET 395.A O no hydrogen 2.915 N/A ILE 407.A N LYS 403.A O no hydrogen 3.457 N/A GLU 408.A N ALA 404.A O no hydrogen 2.907 N/A CYS 409.A N PRO 405.A O no hydrogen 2.900 N/A CYS 409.A SG PRO 405.A O no hydrogen 3.316 N/A VAL 410.A N ASP 406.A O no hydrogen 2.952 N/A LEU 411.A N ILE 407.A O no hydrogen 2.841 N/A ARG 412.A N GLU 408.A O no hydrogen 2.929 N/A ARG 412.A NH2 HIS 372.A NE2 no hydrogen 3.405 N/A CYS 413.A N CYS 409.A O no hydrogen 2.953 N/A CYS 413.A SG CYS 409.A O no hydrogen 3.260 N/A SER 414.A N VAL 410.A O no hydrogen 2.823 N/A VAL 415.A N LEU 411.A O no hydrogen 2.914 N/A LEU 416.A N ARG 412.A O no hydrogen 2.998 N/A GLU 417.A N CYS 413.A O no hydrogen 2.867 N/A ILE 418.A N SER 414.A O no hydrogen 2.873 N/A GLU 419.A N VAL 415.A O no hydrogen 2.938 N/A GLN 420.A N LEU 416.A O no hydrogen 2.926 N/A SER 421.A N GLU 417.A O no hydrogen 2.822 N/A MET 422.A N ILE 418.A O no hydrogen 2.894 N/A ASN 423.A N GLU 419.A O no hydrogen 2.953 N/A ARG 424.A N GLN 420.A O no hydrogen 2.888 N/A ARG 424.A NE GLN 420.A O no hydrogen 2.616 N/A ARG 424.A NH1 ASN 380.A OD1 no hydrogen 2.892 N/A VAL 425.A N SER 421.A O no hydrogen 2.896 N/A LYS 426.A N MET 422.A O no hydrogen 2.904 N/A ASN 427.A N ASN 423.A O no hydrogen 2.901 N/A ASN 427.A N ARG 424.A O no hydrogen 3.301 N/A ASN 427.A ND2 ASN 423.A O no hydrogen 2.861 N/A ASP 432.A N SER 429.A O no hydrogen 3.399 N/A ALA 436.A N ASP 432.A O no hydrogen 3.153 N/A MET 437.A N VAL 433.A O no hydrogen 2.847 N/A ASP 438.A N HIS 434.A O no hydrogen 2.918 N/A ASN 439.A N ASN 435.A O no hydrogen 2.909 N/A TYR 440.A N ALA 436.A O no hydrogen 2.877 N/A GLU 441.A N MET 437.A O no hydrogen 2.896 N/A CYS 442.A N ASP 438.A O no hydrogen 2.913 N/A CYS 442.A SG HIS 382.A ND1 no hydrogen 3.832 N/A CYS 442.A SG HIS 382.A O no hydrogen 3.335 N/A ASN 443.A N ASN 439.A O no hydrogen 2.865 N/A ASN 443.A ND2 GLU 417.A OE2 no hydrogen 3.375 N/A LEU 444.A N TYR 440.A O no hydrogen 2.948 N/A TYR 445.A N GLU 441.A O no hydrogen 2.915 N/A THR 446.A N CYS 442.A O no hydrogen 2.891 N/A THR 446.A OG1 CYS 442.A O no hydrogen 3.158 N/A THR 446.A OG1 ASN 443.A O no hydrogen 2.549 N/A PHE 447.A N ASN 443.A O no hydrogen 2.934 N/A LEU 448.A N LEU 444.A O no hydrogen 2.956 N/A TYR 449.A N TYR 445.A O no hydrogen 2.901 N/A LEU 450.A N THR 446.A O no hydrogen 2.913 N/A VAL 451.A N PHE 447.A O no hydrogen 2.895 N/A CYS 452.A N LEU 448.A O no hydrogen 2.908 N/A CYS 452.A SG ASN 511.A OD1 no hydrogen 3.401 N/A ILE 453.A N TYR 449.A O no hydrogen 2.909 N/A SER 454.A N LEU 450.A O no hydrogen 2.874 N/A THR 455.A N VAL 451.A O no hydrogen 2.905 N/A THR 455.A OG1 VAL 451.A O no hydrogen 3.359 N/A THR 455.A OG1 CYS 452.A O no hydrogen 2.496 N/A LYS 456.A N CYS 452.A O no hydrogen 3.399 N/A THR 457.A N SER 454.A O no hydrogen 3.327 N/A THR 457.A OG1 ILE 453.A O no hydrogen 3.092 N/A CYS 459.A SG THR 457.A O no hydrogen 3.775 N/A SER 460.A OG ASP 463.A OD2 no hydrogen 2.424 N/A GLN 464.A N SER 460.A O no hydrogen 3.037 N/A CYS 465.A N GLU 461.A O no hydrogen 2.907 N/A CYS 465.A SG GLU 461.A O no hydrogen 3.611 N/A LYS 466.A N GLU 462.A O no hydrogen 2.935 N/A LYS 466.A NZ GLU 408.A OE2 no hydrogen 3.443 N/A LYS 466.A NZ GLU 462.A OE2 no hydrogen 3.327 N/A ILE 467.A N ASP 463.A O no hydrogen 2.941 N/A ASN 468.A N GLN 464.A O no hydrogen 2.861 N/A LYS 469.A N CYS 465.A O no hydrogen 2.909 N/A GLN 470.A N LYS 466.A O no hydrogen 2.970 N/A ILE 471.A N ILE 467.A O no hydrogen 2.931 N/A TYR 472.A N ASN 468.A O no hydrogen 2.825 N/A ASN 473.A N LYS 469.A O no hydrogen 2.983 N/A ILE 475.A N ILE 471.A O no hydrogen 2.909 N/A HIS 476.A N TYR 472.A O no hydrogen 2.931 N/A LEU 477.A N ASN 473.A O no hydrogen 2.940 N/A ASP 478.A N LEU 474.A O no hydrogen 3.276 N/A ASP 478.A N ILE 475.A O no hydrogen 3.087 N/A ARG 480.A N TYR 440.A OH no hydrogen 3.145 N/A ARG 480.A NH1 GLY 484.A O no hydrogen 2.788 N/A ARG 480.A NH1 VAL 528.A O no hydrogen 2.492 N/A ARG 480.A NH2 VAL 528.A O no hydrogen 3.265 N/A THR 481.A N PHE 485.A O no hydrogen 2.946 N/A THR 481.A OG1 PHE 485.A O no hydrogen 3.384 N/A GLU 483.A N GLU 483.A OE1 no hydrogen 2.785 N/A GLY 484.A N THR 481.A O no hydrogen 3.320 N/A THR 486.A N HIS 489.A ND1 no hydrogen 3.331 N/A THR 486.A OG1 HIS 489.A ND1 no hydrogen 2.925 N/A LEU 488.A N THR 486.A OG1 no hydrogen 3.098 N/A HIS 489.A ND1 THR 486.A OG1 no hydrogen 2.925 N/A ASN 493.A N LEU 490.A O no hydrogen 3.306 N/A PHE 501.A N ASP 499.A OD1 no hydrogen 2.888 N/A THR 503.A OG1 ASP 499.A O no hydrogen 2.670 N/A ASP 505.A N HIS 502.A O no hydrogen 2.909 N/A SER 508.A OG SER 508.A O no hydrogen 2.474 N/A ASN 511.A N ALA 491.A O no hydrogen 3.395 N/A ASN 511.A ND2 SER 508.A OG no hydrogen 3.297 N/A THR 515.A N ASN 511.A O no hydrogen 3.333 N/A LYS 516.A N ALA 512.A O no hydrogen 2.921 N/A LYS 516.A NZ GLU 561.A OE2 no hydrogen 3.217 N/A LEU 517.A N LEU 513.A O no hydrogen 2.905 N/A LEU 518.A N VAL 514.A O no hydrogen 2.890 N/A LEU 519.A N THR 515.A O no hydrogen 2.894 N/A ASP 520.A N LYS 516.A O no hydrogen 2.916 N/A CYS 521.A N LEU 518.A O no hydrogen 3.013 N/A CYS 521.A SG ASN 468.A O no hydrogen 3.460 N/A CYS 521.A SG LEU 517.A O no hydrogen 3.246 N/A GLY 522.A N LEU 519.A O no hydrogen 3.439 N/A ALA 523.A N LEU 518.A O no hydrogen 3.133 N/A ALA 527.A N GLU 524.A O no hydrogen 3.290 N/A ASP 529.A N ASN 533.A O no hydrogen 3.397 N/A ASN 530.A N GLU 483.A O no hydrogen 3.120 N/A GLY 532.A N ASP 529.A OD1 no hydrogen 2.751 N/A ASN 533.A ND2 GLU 531.A OE1 no hydrogen 3.188 N/A SER 534.A N HIS 537.A ND1 no hydrogen 3.125 N/A SER 534.A OG HIS 537.A ND1 no hydrogen 2.690 N/A LEU 536.A N SER 534.A OG no hydrogen 3.302 N/A HIS 537.A ND1 SER 534.A OG no hydrogen 2.690 N/A VAL 540.A N LEU 536.A O no hydrogen 3.327 N/A TYR 542.A N VAL 540.A O no hydrogen 2.783 N/A TYR 542.A OH ASP 548.A OD2 no hydrogen 2.988 N/A THR 551.A OG1 ASP 548.A O no hydrogen 3.378 N/A LEU 552.A N PHE 549.A O no hydrogen 2.905 N/A HIS 553.A N PHE 549.A O no hydrogen 2.682 N/A SER 554.A N LEU 550.A O no hydrogen 3.351 N/A SER 554.A OG SER 554.A O no hydrogen 2.516 N/A ILE 557.A N HIS 553.A O no hydrogen 2.922 N/A SER 558.A OG SER 554.A O no hydrogen 3.457 N/A VAL 560.A N ILE 556.A O no hydrogen 3.125 N/A ALA 562.A N LEU 559.A O no hydrogen 3.112 N/A ALA 564.A N LEU 559.A O no hydrogen 3.202 N/A HIS 565.A NE2 HIS 627.A NE2 no hydrogen 2.975 N/A THR 569.A N PHE 626.A O no hydrogen 2.770 N/A ASN 570.A ND2 GLU 531.A OE2 no hydrogen 3.150 N/A ASN 573.A N ASN 570.A O no hydrogen 3.252 N/A LYS 574.A N ASN 570.A OD1 no hydrogen 2.982 N/A ASP 578.A N THR 575.A OG1 no hydrogen 3.187 N/A LYS 579.A N PRO 576.A O no hydrogen 3.166 N/A SER 580.A OG THR 582.A O no hydrogen 2.821 N/A SER 585.A OG VAL 540.A O no hydrogen 3.068 N/A GLU 586.A N GLY 583.A O no hydrogen 3.251 N/A ILE 587.A N GLY 583.A O no hydrogen 2.936 N/A LYS 590.A N GLU 586.A O no hydrogen 2.865 N/A THR 591.A N ILE 587.A O no hydrogen 2.909 N/A THR 591.A OG1 ILE 587.A O no hydrogen 3.017 N/A GLN 592.A N LEU 588.A O no hydrogen 2.895 N/A CYS 599.A SG HIS 565.A NE2 no hydrogen 2.896 N/A CYS 599.A SG HIS 627.A NE2 no hydrogen 3.026 N/A LEU 600.A N SER 596.A O no hydrogen 3.280 N/A ALA 601.A N LEU 597.A O no hydrogen 2.912 N/A ALA 602.A N LYS 598.A O no hydrogen 2.888 N/A ARG 603.A N CYS 599.A O no hydrogen 2.905 N/A ARG 603.A NE ASP 567.A OD2 no hydrogen 2.589 N/A ARG 603.A NH2 ASP 567.A OD2 no hydrogen 2.665 N/A ALA 604.A N LEU 600.A O no hydrogen 2.979 N/A VAL 605.A N ALA 601.A O no hydrogen 2.889 N/A ARG 606.A N ALA 602.A O no hydrogen 2.891 N/A ARG 606.A NH1 VAL 624.A O no hydrogen 3.457 N/A ALA 607.A N ARG 603.A O no hydrogen 2.913 N/A ASN 608.A N ALA 604.A O no hydrogen 3.158 N/A ILE 610.A N ASP 609.A OD1 no hydrogen 3.256 N/A GLU 621.A N PRO 617.A O no hydrogen 3.182 N/A GLU 621.A N ARG 618.A O no hydrogen 3.153 N/A VAL 624.A N LEU 620.A O no hydrogen 2.889 N/A PHE 626.A N GLU 622.A O no hydrogen 2.900 N/A PHE 626.A N PHE 623.A O no hydrogen 3.184 N/A HIS 627.A ND1 PHE 623.A O no hydrogen 2.913 N/A