Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8s0a_2.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 4.A OE2 no hydrogen 2.702 N/A TRP 5.A N SER 1.A O no hydrogen 3.310 N/A VAL 6.A N VAL 2.A O no hydrogen 2.908 N/A SER 7.A N ARG 3.A O no hydrogen 2.899 N/A SER 7.A OG GLU 4.A O no hydrogen 2.891 N/A ARG 12.A N MET 8.A O no hydrogen 3.432 N/A LEU 13.A N ALA 9.A O no hydrogen 2.882 N/A GLU 14.A N GLY 10.A O no hydrogen 2.967 N/A ILE 15.A N PRO 11.A O no hydrogen 2.840 N/A HIS 16.A N ARG 12.A O no hydrogen 2.900 N/A HIS 17.A N LEU 13.A O no hydrogen 2.933 N/A HIS 17.A ND1 LEU 13.A O no hydrogen 2.783 N/A ARG 18.A N GLU 14.A O no hydrogen 2.908 N/A ARG 18.A NH2 GLU 14.A OE1 no hydrogen 3.528 N/A PHE 19.A N ILE 15.A O no hydrogen 2.852 N/A LYS 20.A N HIS 16.A O no hydrogen 2.940 N/A LYS 20.A NZ GLU 85.A OE1 no hydrogen 3.252 N/A ASN 21.A N HIS 17.A O no hydrogen 2.926 N/A ASN 21.A ND2 HIS 17.A O no hydrogen 2.454 N/A PHE 22.A N ARG 18.A O no hydrogen 2.880 N/A LEU 23.A N PHE 19.A O no hydrogen 2.887 N/A ARG 24.A N LYS 20.A O no hydrogen 2.934 N/A THR 25.A N ASN 21.A O no hydrogen 2.903 N/A THR 25.A OG1 ASN 21.A O no hydrogen 2.728 N/A HIS 26.A N PHE 22.A O no hydrogen 3.044 N/A HIS 26.A NE2 ASP 56.A OD2 no hydrogen 3.129 N/A ASP 28.A N HIS 32.A O no hydrogen 2.847 N/A GLY 31.A N ASP 28.A O no hydrogen 3.284 N/A HIS 32.A ND1 ASP 28.A OD2 no hydrogen 3.048 N/A ASN 33.A ND2 ARG 24.A O no hydrogen 3.323 N/A LYS 36.A N ASN 33.A OD1 no hydrogen 2.783 N/A ARG 38.A N VAL 34.A O no hydrogen 2.938 N/A ARG 38.A NH1 VAL 51.A O no hydrogen 3.102 N/A ILE 39.A N PHE 35.A O no hydrogen 2.851 N/A SER 40.A N LYS 36.A O no hydrogen 2.949 N/A SER 40.A OG LYS 36.A O no hydrogen 3.393 N/A SER 40.A OG GLU 37.A O no hydrogen 2.559 N/A ASP 41.A N GLU 37.A O no hydrogen 2.897 N/A MET 42.A N ARG 38.A O no hydrogen 2.912 N/A CYS 43.A N ILE 39.A O no hydrogen 2.847 N/A CYS 43.A SG ILE 39.A O no hydrogen 3.109 N/A CYS 43.A SG TYR 94.A OH no hydrogen 2.575 N/A LYS 44.A N SER 40.A O no hydrogen 2.935 N/A GLU 45.A N MET 42.A O no hydrogen 3.350 N/A ASN 46.A N CYS 43.A O no hydrogen 3.145 N/A ARG 47.A N MET 42.A O no hydrogen 3.178 N/A ARG 47.A NE GLU 45.A OE1 no hydrogen 2.483 N/A ARG 47.A NH2 GLU 45.A OE1 no hydrogen 2.930 N/A LEU 50.A N HIS 102.A O no hydrogen 2.864 N/A VAL 52.A N ARG 104.A O no hydrogen 2.780 N/A ASN 53.A ND2 GLU 55.A OE1 no hydrogen 3.116 N/A TYR 54.A OH ALA 65.A O no hydrogen 3.037 N/A GLU 55.A N ASN 53.A OD1 no hydrogen 2.982 N/A LEU 57.A N ASN 53.A O no hydrogen 3.322 N/A ALA 58.A N TYR 54.A O no hydrogen 2.891 N/A ALA 59.A N GLU 55.A O no hydrogen 2.906 N/A ARG 60.A N ASP 56.A O no hydrogen 2.916 N/A ARG 60.A NE HIS 26.A ND1 no hydrogen 3.336 N/A ARG 60.A NH2 VAL 27.A O no hydrogen 3.323 N/A GLU 61.A N LEU 57.A O no hydrogen 2.908 N/A TYR 66.A N HIS 62.A O no hydrogen 2.898 N/A PHE 67.A N VAL 63.A O no hydrogen 2.923 N/A ALA 71.A N LEU 68.A O no hydrogen 3.454 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.659 N/A LEU 76.A N PRO 72.A O no hydrogen 2.881 N/A GLN 77.A N ALA 73.A O no hydrogen 2.924 N/A ILE 78.A N GLU 74.A O no hydrogen 2.929 N/A PHE 79.A N LEU 75.A O no hydrogen 2.875 N/A ASP 80.A N LEU 76.A O no hydrogen 2.859 N/A GLU 81.A N GLN 77.A O no hydrogen 2.942 N/A ALA 82.A N ILE 78.A O no hydrogen 2.918 N/A ALA 83.A N PHE 79.A O no hydrogen 2.871 N/A LEU 84.A N ASP 80.A O no hydrogen 2.888 N/A GLU 85.A N GLU 81.A O no hydrogen 2.928 N/A VAL 86.A N ALA 82.A O no hydrogen 2.931 N/A VAL 87.A N ALA 83.A O no hydrogen 2.890 N/A LEU 88.A N LEU 84.A O no hydrogen 2.892 N/A ALA 89.A N GLU 85.A O no hydrogen 2.910 N/A MET 90.A N VAL 86.A O no hydrogen 2.920 N/A TYR 91.A N VAL 87.A O no hydrogen 2.752 N/A ARG 96.A N LYS 93.A O no hydrogen 2.918 N/A ILE 97.A N TYR 94.A O no hydrogen 2.905 N/A THR 98.A N TYR 94.A O no hydrogen 2.787 N/A HIS 102.A N GLU 48.A O no hydrogen 3.235 N/A ARG 104.A N LEU 50.A O no hydrogen 2.910 N/A ARG 104.A NE SER 49.A OG no hydrogen 3.066 N/A ARG 104.A NH1 ASN 262.A O no hydrogen 2.916 N/A SER 106.A N VAL 52.A O no hydrogen 3.044 N/A SER 106.A OG VAL 52.A O no hydrogen 3.418 N/A ARG 115.A NE GLU 200.A OE1 no hydrogen 3.295 N/A ARG 115.A NE GLU 200.A OE2 no hydrogen 3.111 N/A ARG 115.A NH2 LYS 204.A O no hydrogen 3.122 N/A SER 116.A N GLU 113.A O no hydrogen 3.294 N/A HIS 121.A N ARG 118.A O no hydrogen 3.140 N/A LEU 122.A N GLN 119.A O no hydrogen 3.256 N/A ASN 123.A N TYR 238.A O no hydrogen 2.864 N/A LEU 125.A N PRO 69.A O no hydrogen 3.048 N/A ILE 126.A N GLY 236.A O no hydrogen 2.907 N/A ARG 127.A NH1 SER 106.A O no hydrogen 3.155 N/A ARG 127.A NH2 GLU 233.A OE1 no hydrogen 2.979 N/A THR 128.A N LEU 234.A O no hydrogen 2.905 N/A GLY 130.A N ILE 232.A O no hydrogen 2.930 N/A VAL 131.A N GLN 199.A O no hydrogen 2.723 N/A VAL 132.A N ASP 230.A O no hydrogen 2.798 N/A THR 133.A N ARG 197.A O no hydrogen 2.960 N/A THR 133.A OG1 ARG 197.A O no hydrogen 3.076 N/A THR 136.A N ARG 195.A O no hydrogen 3.322 N/A THR 136.A OG1 ARG 195.A O no hydrogen 3.388 N/A LEU 139.A N TYR 193.A O no hydrogen 2.922 N/A GLN 141.A N GLN 191.A O no hydrogen 2.886 N/A SER 143.A N ILE 189.A O no hydrogen 2.905 N/A SER 143.A OG LEU 142.A O no hydrogen 2.676 N/A VAL 145.A N PHE 159.A O no hydrogen 3.089 N/A LYS 146.A NZ GLU 187.A OE1 no hydrogen 3.172 N/A ASN 148.A N GLU 182.A O no hydrogen 2.897 N/A CYS 149.A N PHE 154.A O no hydrogen 3.230 N/A LEU 156.A N TYR 147.A O no hydrogen 2.856 N/A PHE 159.A N VAL 145.A O no hydrogen 3.120 N/A GLN 161.A NE2 SER 162.A O no hydrogen 2.580 N/A GLN 161.A NE2 GLN 165.A O no hydrogen 3.551 N/A ASN 164.A N SER 162.A OG no hydrogen 3.383 N/A CYS 172.A N SER 177.A O no hydrogen 3.103 N/A CYS 175.A SG SER 177.A OG no hydrogen 2.940 N/A GLN 176.A N CYS 172.A O no hydrogen 2.972 N/A GLN 176.A NE2 PRO 173.A O no hydrogen 2.774 N/A GLU 182.A N ASN 148.A O no hydrogen 3.482 N/A VAL 183.A N GLU 182.A OE1 no hydrogen 3.282 N/A ASN 184.A N LYS 146.A O no hydrogen 2.850 N/A ASN 184.A ND2 ASN 148.A OD1 no hydrogen 2.644 N/A GLU 187.A N ASN 184.A OD1 no hydrogen 2.909 N/A THR 188.A N ASN 184.A O no hydrogen 3.107 N/A THR 188.A OG1 ASN 184.A O no hydrogen 2.214 N/A GLN 191.A N GLN 141.A O no hydrogen 2.885 N/A TYR 193.A N LEU 139.A O no hydrogen 2.898 N/A GLN 194.A N LEU 218.A O no hydrogen 2.922 N/A GLN 194.A NE2 GLY 137.A O no hydrogen 3.040 N/A GLN 194.A NE2 ASP 224.A OD1 no hydrogen 3.197 N/A ARG 195.A N THR 136.A OG1 no hydrogen 2.978 N/A ARG 195.A NE ASP 215.A OD2 no hydrogen 3.287 N/A ARG 195.A NH2 ASP 215.A OD2 no hydrogen 2.500 N/A ILE 196.A N ALA 216.A O no hydrogen 2.917 N/A ARG 197.A NE THR 133.A OG1 no hydrogen 3.090 N/A ILE 198.A N LYS 214.A O no hydrogen 2.879 N/A GLN 199.A N VAL 131.A O no hydrogen 2.840 N/A GLU 200.A N ARG 212.A O no hydrogen 3.387 N/A SER 201.A OG GLU 231.A OE2 no hydrogen 2.692 N/A LYS 204.A N SER 201.A O no hydrogen 3.235 N/A VAL 205.A N PRO 202.A O no hydrogen 3.383 N/A LYS 214.A N ILE 198.A O no hydrogen 2.917 N/A LYS 214.A NZ THR 257.A OG1 no hydrogen 3.377 N/A ALA 216.A N ILE 196.A O no hydrogen 2.885 N/A ILE 217.A N ILE 259.A O no hydrogen 3.227 N/A LEU 218.A N GLN 194.A O no hydrogen 2.884 N/A ALA 220.A N ASN 192.A O no hydrogen 3.250 N/A LEU 222.A N LEU 219.A O no hydrogen 3.254 N/A ASP 224.A N GLN 194.A OE1 no hydrogen 2.947 N/A SER 225.A OG LEU 222.A O no hydrogen 2.750 N/A CYS 226.A SG SER 225.A OG no hydrogen 3.745 N/A GLY 229.A N VAL 132.A O no hydrogen 2.733 N/A ASP 230.A N LYS 227.A O no hydrogen 3.333 N/A GLU 231.A N ASP 230.A OD1 no hydrogen 2.473 N/A ILE 232.A N GLY 130.A O no hydrogen 2.893 N/A GLU 233.A N ALA 265.A O no hydrogen 2.888 N/A LEU 234.A N THR 128.A O no hydrogen 2.886 N/A THR 235.A N HIS 263.A O no hydrogen 3.454 N/A THR 235.A OG1 ASN 262.A OD1 no hydrogen 2.715 N/A GLY 236.A N ILE 126.A O no hydrogen 2.896 N/A ILE 237.A N LEU 260.A O no hydrogen 2.781 N/A TYR 238.A N GLN 124.A O no hydrogen 3.156 N/A HIS 239.A N VAL 258.A O no hydrogen 2.978 N/A TYR 242.A N ASN 240.A O no hydrogen 2.649 N/A TYR 242.A OH ALA 256.A O no hydrogen 3.018 N/A ASP 243.A N ASN 164.A O no hydrogen 2.935 N/A SER 245.A N TYR 242.A O no hydrogen 3.259 N/A SER 245.A OG ASN 240.A O no hydrogen 3.186 N/A SER 245.A OG TYR 242.A O no hydrogen 3.241 N/A ASN 247.A N VAL 254.A O no hydrogen 2.992 N/A ASN 247.A ND2 ASN 250.A O no hydrogen 2.356 N/A ASN 247.A ND2 PHE 252.A O no hydrogen 2.949 N/A THR 248.A OG1 LEU 246.A O no hydrogen 3.278 N/A ALA 256.A N SER 245.A O no hydrogen 3.191 N/A VAL 258.A N HIS 239.A O no hydrogen 3.090 N/A ILE 259.A N ASP 215.A O no hydrogen 3.258 N/A LEU 260.A N ILE 237.A O no hydrogen 2.911 N/A ASN 262.A N THR 235.A O no hydrogen 2.997 N/A ALA 265.A N GLU 233.A O no hydrogen 2.914 N/A VAL 270.A N ASP 267.A O no hydrogen 3.267 N/A LYS 271.A NZ ASP 267.A OD1 no hydrogen 3.256 N/A LYS 271.A NZ GLU 268.A OE2 no hydrogen 2.831 N/A MET 272.A N GLU 268.A O no hydrogen 2.907 N/A ILE 273.A N ASP 269.A O no hydrogen 2.886 N/A THR 274.A N VAL 270.A O no hydrogen 2.919 N/A THR 274.A OG1 VAL 270.A O no hydrogen 3.276 N/A THR 274.A OG1 LYS 271.A O no hydrogen 2.590 N/A SER 275.A N LYS 271.A O no hydrogen 2.897 N/A SER 275.A OG MET 272.A O no hydrogen 2.670 N/A LEU 276.A N MET 272.A O no hydrogen 2.893 N/A SER 277.A N ILE 273.A O no hydrogen 2.902 N/A SER 277.A OG THR 274.A O no hydrogen 2.769 N/A LYS 278.A N THR 274.A O no hydrogen 3.225 N/A LYS 278.A N SER 275.A O no hydrogen 3.139 N/A ASP 279.A N LEU 276.A O no hydrogen 3.038 N/A LYS 285.A N GLN 281.A O no hydrogen 3.162 N/A LYS 285.A NZ ASP 279.A OD2 no hydrogen 3.124 N/A ILE 286.A N ILE 282.A O no hydrogen 2.914 N/A PHE 287.A N GLY 283.A O no hydrogen 2.910 N/A ALA 288.A N GLU 284.A O no hydrogen 2.908 N/A SER 289.A N LYS 285.A O no hydrogen 2.902 N/A SER 289.A N ILE 286.A O no hydrogen 3.223 N/A SER 289.A OG LYS 285.A O no hydrogen 2.367 N/A ILE 294.A N ALA 291.A O no hydrogen 3.328 N/A TYR 295.A OH GLN 480.A OE1 no hydrogen 2.870 N/A ILE 300.A N ASP 299.A OD1 no hydrogen 2.687 N/A LYS 301.A N HIS 297.A O no hydrogen 3.227 N/A LYS 301.A NZ ILE 290.A O no hydrogen 3.532 N/A LYS 301.A NZ ALA 291.A O no hydrogen 3.076 N/A LYS 301.A NZ ILE 294.A O no hydrogen 3.004 N/A ARG 302.A N GLU 298.A O no hydrogen 2.906 N/A GLY 303.A N ASP 299.A O no hydrogen 2.908 N/A LEU 304.A N ILE 300.A O no hydrogen 2.896 N/A ALA 305.A N LYS 301.A O no hydrogen 2.891 N/A LEU 306.A N ARG 302.A O no hydrogen 2.950 N/A ALA 307.A N GLY 303.A O no hydrogen 2.909 N/A LEU 308.A N LEU 304.A O no hydrogen 2.859 N/A PHE 309.A N ALA 305.A O no hydrogen 2.949 N/A GLY 310.A N LEU 306.A O no hydrogen 3.062 N/A GLY 311.A N GLY 324.A O no hydrogen 3.117 N/A LYS 314.A N VAL 322.A O no hydrogen 2.905 N/A LYS 314.A NZ GLU 312.A O no hydrogen 2.992 N/A LYS 314.A NZ GLU 567.A OE2 no hydrogen 3.160 N/A VAL 322.A N LYS 314.A O no hydrogen 2.905 N/A ARG 323.A NE ASP 325.A O no hydrogen 3.114 N/A ARG 323.A NH2 ASP 325.A O no hydrogen 3.366 N/A ARG 323.A NH2 ARG 465.A O no hydrogen 3.327 N/A ARG 323.A NH2 ASP 467.A OD1 no hydrogen 2.703 N/A VAL 328.A N VAL 435.A O no hydrogen 2.919 N/A LEU 329.A N ILE 468.A O no hydrogen 2.925 N/A LEU 330.A N ALA 437.A O no hydrogen 2.905 N/A CYS 331.A N CYS 470.A O no hydrogen 2.900 N/A GLY 332.A N ALA 439.A O no hydrogen 2.949 N/A THR 336.A OG1 ASP 333.A O no hydrogen 3.014 N/A LYS 338.A NZ GLY 332.A O no hydrogen 3.103 N/A LYS 338.A NZ ASP 333.A O no hydrogen 3.114 N/A LYS 338.A NZ ASN 440.A OD1 no hydrogen 2.394 N/A SER 339.A OG ASP 396.A OD2 no hydrogen 3.125 N/A LYS 343.A N SER 339.A O no hydrogen 2.928 N/A TYR 344.A N GLN 340.A O no hydrogen 2.905 N/A ILE 345.A N PHE 341.A O no hydrogen 2.911 N/A GLU 346.A N LEU 342.A O no hydrogen 2.891 N/A LYS 347.A N LYS 343.A O no hydrogen 2.927 N/A VAL 348.A N TYR 344.A O no hydrogen 2.907 N/A SER 349.A N ILE 345.A O no hydrogen 2.854 N/A ILE 353.A N VAL 392.A O no hydrogen 2.909 N/A THR 355.A N LEU 394.A O no hydrogen 2.915 N/A THR 355.A OG1 VAL 363.A O no hydrogen 3.528 N/A THR 356.A OG1 SER 361.A OG no hydrogen 3.362 N/A GLY 357.A N ASP 396.A O no hydrogen 2.862 N/A GLN 358.A NE2 GLN 358.A O no hydrogen 3.067 N/A SER 361.A OG THR 356.A O no hydrogen 2.755 N/A SER 361.A OG THR 356.A OG1 no hydrogen 3.362 N/A TYR 368.A N GLU 381.A O no hydrogen 2.904 N/A GLN 370.A N THR 379.A O no hydrogen 2.928 N/A HIS 372.A N GLU 377.A O no hydrogen 2.947 N/A VAL 374.A N HIS 372.A ND1 no hydrogen 3.067 N/A ARG 376.A N HIS 372.A O no hydrogen 2.904 N/A THR 379.A N GLN 370.A O no hydrogen 2.881 N/A THR 379.A OG1 GLN 370.A O no hydrogen 3.135 N/A THR 379.A OG1 GLU 381.A OE2 no hydrogen 3.167 N/A GLU 381.A N TYR 368.A O no hydrogen 2.896 N/A ALA 384.A N GLY 364.A O no hydrogen 2.886 N/A LEU 387.A N GLY 383.A O no hydrogen 3.239 N/A ALA 388.A N ALA 384.A O no hydrogen 3.005 N/A ASP 389.A N VAL 386.A O no hydrogen 3.119 N/A ARG 390.A N ARG 432.A O no hydrogen 2.496 N/A ARG 390.A NE ASP 389.A OD2 no hydrogen 3.085 N/A ARG 390.A NH2 ASP 389.A OD2 no hydrogen 3.345 N/A GLY 391.A N ALA 388.A O no hydrogen 2.825 N/A VAL 392.A N ARG 351.A O no hydrogen 2.895 N/A CYS 393.A N THR 434.A O no hydrogen 2.888 N/A LEU 394.A N ILE 353.A O no hydrogen 2.893 N/A ILE 395.A N ILE 436.A O no hydrogen 2.890 N/A ASP 396.A N THR 355.A O no hydrogen 2.911 N/A GLU 397.A N ASP 396.A OD1 no hydrogen 2.846 N/A PHE 398.A N ALA 438.A O no hydrogen 3.045 N/A LYS 400.A N GLU 397.A O no hydrogen 3.271 N/A LYS 400.A NZ GLU 397.A OE1 no hydrogen 3.229 N/A LYS 400.A NZ ASP 399.A OD1 no hydrogen 2.756 N/A LYS 400.A NZ ASP 399.A OD2 no hydrogen 3.476 N/A ASP 405.A N ASN 402.A OD1 no hydrogen 3.116 N/A ARG 406.A N ASN 402.A O no hydrogen 3.146 N/A ARG 406.A NE MET 401.A O no hydrogen 3.418 N/A THR 407.A N ASP 403.A O no hydrogen 2.922 N/A THR 407.A OG1 ASP 403.A O no hydrogen 3.002 N/A SER 408.A N GLN 404.A O no hydrogen 2.922 N/A SER 408.A OG GLN 404.A O no hydrogen 3.308 N/A SER 408.A OG ASP 405.A O no hydrogen 2.701 N/A ILE 409.A N ASP 405.A O no hydrogen 2.899 N/A HIS 410.A N ARG 406.A O no hydrogen 2.895 N/A GLU 411.A N THR 407.A O no hydrogen 2.961 N/A ALA 412.A N SER 408.A O no hydrogen 2.889 N/A MET 413.A N ILE 409.A O no hydrogen 2.880 N/A GLU 414.A N HIS 410.A O no hydrogen 2.932 N/A GLN 415.A N GLU 411.A O no hydrogen 3.075 N/A GLN 416.A NE2 ASP 325.A OD2 no hydrogen 3.022 N/A ILE 418.A N LEU 429.A O no hydrogen 2.902 N/A ILE 420.A N THR 427.A O no hydrogen 2.900 N/A LYS 422.A N ILE 425.A O no hydrogen 2.917 N/A ILE 425.A N LYS 422.A O no hydrogen 2.892 N/A THR 427.A N ILE 420.A O no hydrogen 2.887 N/A LEU 429.A N ILE 418.A O no hydrogen 2.903 N/A ALA 431.A N GLN 416.A O no hydrogen 3.303 N/A ARG 432.A NE ASP 389.A OD1 no hydrogen 2.908 N/A ARG 432.A NH2 ASP 389.A OD1 no hydrogen 3.201 N/A ARG 432.A NH2 ASP 389.A OD2 no hydrogen 2.927 N/A CYS 433.A SG ALA 431.A O no hydrogen 3.620 N/A THR 434.A N GLY 391.A O no hydrogen 3.219 N/A VAL 435.A N ASN 327.A OD1 no hydrogen 3.116 N/A ILE 436.A N CYS 393.A O no hydrogen 2.922 N/A ALA 437.A N VAL 328.A O no hydrogen 2.914 N/A ALA 438.A N ILE 395.A O no hydrogen 2.946 N/A ALA 439.A N LEU 330.A O no hydrogen 2.874 N/A ILE 442.A N ASN 455.A O no hydrogen 2.954 N/A GLY 444.A N PRO 441.A O no hydrogen 3.465 N/A TYR 446.A N ASP 333.A OD1 no hydrogen 3.131 N/A SER 449.A N ASP 447.A OD1 no hydrogen 3.312 N/A SER 449.A OG ASP 447.A OD1 no hydrogen 3.055 N/A LEU 450.A N ASP 447.A O no hydrogen 3.177 N/A THR 451.A N GLU 454.A OE1 no hydrogen 2.922 N/A THR 451.A OG1 GLU 454.A OE1 no hydrogen 2.713 N/A PHE 452.A N THR 597.A O no hydrogen 3.368 N/A GLU 454.A N THR 451.A OG1 no hydrogen 3.415 N/A ASN 455.A N PHE 452.A O no hydrogen 3.196 N/A ASN 455.A ND2 ASP 447.A O no hydrogen 3.279 N/A ASN 455.A ND2 THR 451.A O no hydrogen 2.777 N/A VAL 456.A N SER 453.A O no hydrogen 3.469 N/A GLU 460.A N GLU 460.A OE1 no hydrogen 2.598 N/A ILE 463.A N THR 459.A O no hydrogen 3.161 N/A SER 464.A N GLU 460.A O no hydrogen 2.903 N/A ARG 465.A N ILE 462.A O no hydrogen 3.276 N/A PHE 466.A N ILE 463.A O no hydrogen 3.176 N/A ASP 467.A N ASN 327.A O no hydrogen 3.157 N/A ILE 468.A N ASN 327.A O no hydrogen 3.196 N/A CYS 470.A N LEU 329.A O no hydrogen 2.898 N/A VAL 472.A N CYS 331.A O no hydrogen 2.908 N/A ASP 481.A N ASP 477.A O no hydrogen 2.870 N/A GLU 482.A N PRO 478.A O no hydrogen 2.896 N/A MET 483.A N VAL 479.A O no hydrogen 2.939 N/A LEU 484.A N GLN 480.A O no hydrogen 2.898 N/A ALA 485.A N ASP 481.A O no hydrogen 2.888 N/A ARG 486.A N GLU 482.A O no hydrogen 2.912 N/A ARG 486.A NE GLU 482.A OE2 no hydrogen 3.438 N/A ARG 486.A NH2 GLU 482.A OE2 no hydrogen 3.148 N/A PHE 487.A N MET 483.A O no hydrogen 2.928 N/A VAL 488.A N LEU 484.A O no hydrogen 2.911 N/A VAL 489.A N ALA 485.A O no hydrogen 2.911 N/A GLY 490.A N ARG 486.A O no hydrogen 2.907 N/A SER 491.A N PHE 487.A O no hydrogen 2.913 N/A HIS 492.A N VAL 488.A O no hydrogen 2.927 N/A VAL 493.A N VAL 489.A O no hydrogen 2.890 N/A ARG 494.A N GLY 490.A O no hydrogen 2.913 N/A HIS 495.A N SER 491.A O no hydrogen 3.397 N/A HIS 496.A N VAL 493.A O no hydrogen 3.408 N/A SER 498.A OG HIS 496.A NE2 no hydrogen 3.288 N/A TYR 502.A OH GLU 298.A OE1 no hydrogen 2.297 N/A LEU 507.A N SER 289.A OG no hydrogen 3.060 N/A LEU 512.A N PRO 508.A O no hydrogen 2.985 N/A LYS 513.A N GLN 509.A O no hydrogen 2.895 N/A LYS 513.A NZ LYS 347.A O no hydrogen 3.515 N/A LYS 513.A NZ VAL 348.A O no hydrogen 2.880 N/A LYS 514.A N GLU 510.A O no hydrogen 2.935 N/A LYS 514.A NZ ASP 269.A OD2 no hydrogen 3.118 N/A TYR 515.A N VAL 511.A O no hydrogen 2.869 N/A TYR 515.A OH ILE 572.A O no hydrogen 2.780 N/A ILE 516.A N LEU 512.A O no hydrogen 2.904 N/A ILE 517.A N LYS 513.A O no hydrogen 2.929 N/A TYR 518.A N LYS 514.A O no hydrogen 2.905 N/A ALA 519.A N TYR 515.A O no hydrogen 2.890 N/A LYS 520.A N ILE 516.A O no hydrogen 2.922 N/A LYS 520.A NZ LEU 308.A O no hydrogen 3.164 N/A GLU 521.A N ILE 517.A O no hydrogen 2.909 N/A ARG 522.A N TYR 518.A O no hydrogen 2.920 N/A ARG 522.A NE GLU 521.A OE2 no hydrogen 2.806 N/A VAL 523.A N ALA 519.A O no hydrogen 3.300 N/A LYS 526.A N ASP 576.A O no hydrogen 2.923 N/A LYS 534.A N ASP 531.A OD2 no hydrogen 3.072 N/A LYS 534.A NZ ASN 584.A OD1 no hydrogen 3.001 N/A ALA 536.A N GLN 532.A O no hydrogen 2.904 N/A LYS 537.A N ASP 533.A O no hydrogen 2.916 N/A MET 538.A N LYS 534.A O no hydrogen 2.905 N/A TYR 539.A N VAL 535.A O no hydrogen 2.896 N/A SER 540.A N ALA 536.A O no hydrogen 2.921 N/A ASP 541.A N LYS 537.A O no hydrogen 2.925 N/A LEU 542.A N MET 538.A O no hydrogen 2.872 N/A ARG 543.A N TYR 539.A O no hydrogen 2.924 N/A ARG 543.A NE ILE 554.A O no hydrogen 3.346 N/A ARG 543.A NH2 ILE 554.A O no hydrogen 2.829 N/A LYS 544.A N SER 540.A O no hydrogen 2.920 N/A GLU 545.A N ASP 541.A O no hydrogen 2.927 N/A SER 546.A N LEU 542.A O no hydrogen 2.870 N/A SER 546.A OG LEU 542.A O no hydrogen 3.184 N/A SER 546.A OG ARG 543.A O no hydrogen 2.793 N/A MET 547.A N ARG 543.A O no hydrogen 2.943 N/A ALA 548.A N LYS 544.A O no hydrogen 2.889 N/A THR 549.A N GLU 545.A O no hydrogen 2.914 N/A THR 549.A OG1 GLU 545.A O no hydrogen 3.362 N/A THR 549.A OG1 SER 546.A O no hydrogen 2.386 N/A GLY 550.A N SER 546.A O no hydrogen 2.711 N/A VAL 556.A N THR 555.A OG1 no hydrogen 2.514 N/A GLU 560.A N VAL 556.A O no hydrogen 3.383 N/A SER 561.A N ARG 557.A O no hydrogen 2.993 N/A SER 561.A OG ARG 557.A O no hydrogen 3.285 N/A MET 562.A N HIS 558.A O no hydrogen 2.684 N/A ILE 563.A N ILE 559.A O no hydrogen 2.845 N/A ARG 564.A N GLU 560.A O no hydrogen 2.897 N/A ARG 564.A NE ASP 467.A OD2 no hydrogen 3.078 N/A ARG 564.A NH1 ARG 323.A O no hydrogen 3.227 N/A ARG 564.A NH2 ASP 467.A OD1 no hydrogen 3.409 N/A ARG 564.A NH2 ASP 467.A OD2 no hydrogen 3.010 N/A MET 565.A N SER 561.A O no hydrogen 2.837 N/A ALA 566.A N MET 562.A O no hydrogen 2.795 N/A GLU 567.A N ILE 563.A O no hydrogen 2.912 N/A ALA 568.A N ARG 564.A O no hydrogen 2.867 N/A HIS 569.A N MET 565.A O no hydrogen 2.873 N/A ALA 570.A N ALA 566.A O no hydrogen 2.904 N/A ARG 571.A N GLU 567.A O no hydrogen 2.835 N/A ARG 571.A N ALA 568.A O no hydrogen 2.942 N/A ARG 571.A NH1 PHE 309.A O no hydrogen 3.095 N/A ARG 571.A NH1 GLY 311.A O no hydrogen 2.798 N/A ARG 571.A NH2 GLY 311.A O no hydrogen 3.480 N/A ARG 571.A NH2 VAL 523.A O no hydrogen 3.096 N/A ILE 572.A N ALA 568.A O no hydrogen 3.112 N/A ILE 572.A N HIS 569.A O no hydrogen 2.933 N/A HIS 573.A N HIS 569.A O no hydrogen 3.402 N/A LEU 574.A N ARG 571.A O no hydrogen 3.395 N/A ARG 575.A N ALA 570.A O no hydrogen 2.974 N/A ARG 575.A NH1 ASP 582.A OD2 no hydrogen 3.334 N/A VAL 578.A N LYS 526.A O no hydrogen 3.114 N/A ILE 579.A N ASP 582.A OD2 no hydrogen 3.389 N/A VAL 583.A N ILE 579.A O no hydrogen 3.400 N/A ASN 584.A N GLU 580.A O no hydrogen 2.894 N/A ASN 584.A ND2 GLU 580.A O no hydrogen 2.538 N/A MET 585.A N ASP 581.A O no hydrogen 2.933 N/A ALA 586.A N ASP 582.A O no hydrogen 2.909 N/A ILE 587.A N VAL 583.A O no hydrogen 2.887 N/A ARG 588.A N ASN 584.A O no hydrogen 2.905 N/A VAL 589.A N MET 585.A O no hydrogen 2.947 N/A MET 590.A N ALA 586.A O no hydrogen 2.905 N/A LEU 591.A N ILE 587.A O no hydrogen 2.887 N/A GLU 592.A N ARG 588.A O no hydrogen 2.918 N/A SER 593.A N VAL 589.A O no hydrogen 2.939 N/A PHE 594.A N MET 590.A O no hydrogen 2.903 N/A ILE 595.A N LEU 591.A O no hydrogen 2.881 N/A ASP 596.A N GLU 592.A O no hydrogen 2.936 N/A THR 597.A OG1 PHE 594.A O no hydrogen 2.730 N/A GLN 598.A N ILE 595.A O no hydrogen 3.099 N/A MET 603.A N LYS 599.A O no hydrogen 2.710 N/A ARG 604.A N PHE 600.A O no hydrogen 2.907 N/A SER 605.A N SER 601.A O no hydrogen 2.923 N/A SER 605.A OG SER 601.A O no hydrogen 3.114 N/A SER 605.A OG VAL 602.A O no hydrogen 2.692 N/A MET 606.A N VAL 602.A O no hydrogen 2.902 N/A ARG 607.A N MET 603.A O no hydrogen 2.884 N/A ARG 607.A NH2 ASP 596.A OD1 no hydrogen 3.170 N/A LYS 608.A N ARG 604.A O no hydrogen 2.923 N/A THR 609.A N SER 605.A O no hydrogen 2.909 N/A THR 609.A OG1 SER 605.A O no hydrogen 2.717 N/A PHE 610.A N MET 606.A O no hydrogen 2.885 N/A LEU 614.A N PHE 610.A O no hydrogen 3.464 N/A SER 615.A OG ALA 611.A O no hydrogen 3.145 N/A SER 615.A OG ARG 612.A O no hydrogen 2.841 N/A PHE 616.A N TYR 613.A O no hydrogen 3.420 N/A ARG 617.A NH1 ASP 581.A OD1 no hydrogen 3.157 N/A ARG 618.A N SER 615.A O no hydrogen 3.285 N/A ARG 618.A NH2 GLU 592.A OE2 no hydrogen 3.404 N/A ASN 621.A N ASP 619.A OD1 no hydrogen 3.251 N/A ASN 621.A ND2 ASP 619.A OD1 no hydrogen 2.475 N/A ASN 621.A ND2 ASP 619.A OD2 no hydrogen 3.191 N/A LEU 623.A N ASP 619.A O no hydrogen 3.392 N/A LEU 624.A N ASN 620.A O no hydrogen 2.932 N/A LEU 625.A N ASN 621.A O no hydrogen 2.866 N/A PHE 626.A N GLU 622.A O no hydrogen 2.896 N/A ILE 627.A N LEU 623.A O no hydrogen 2.943 N/A LEU 628.A N LEU 624.A O no hydrogen 2.903 N/A LYS 629.A N LEU 625.A O no hydrogen 2.850 N/A LYS 629.A NZ ASN 681.A OD1 no hydrogen 3.261 N/A GLN 630.A N PHE 626.A O no hydrogen 2.924 N/A LEU 631.A N ILE 627.A O no hydrogen 2.966 N/A VAL 632.A N LEU 628.A O no hydrogen 2.877 N/A ALA 633.A N LYS 629.A O no hydrogen 2.864 N/A GLU 634.A N GLN 630.A O no hydrogen 2.946 N/A GLN 635.A N LEU 631.A O no hydrogen 2.943 N/A VAL 636.A N VAL 632.A O no hydrogen 2.870 N/A THR 637.A N ALA 633.A O no hydrogen 2.884 N/A THR 637.A OG1 ALA 633.A O no hydrogen 2.719 N/A TYR 638.A N GLU 634.A O no hydrogen 2.953 N/A GLN 639.A N GLN 635.A O no hydrogen 2.912 N/A ARG 640.A N VAL 636.A O no hydrogen 2.879 N/A ASN 641.A N THR 637.A O no hydrogen 2.923 N/A ASN 641.A ND2 THR 637.A O no hydrogen 2.819 N/A ARG 642.A N TYR 638.A O no hydrogen 2.936 N/A ARG 642.A NH1 TYR 638.A OH no hydrogen 2.524 N/A PHE 643.A N GLN 639.A O no hydrogen 2.894 N/A GLY 644.A N ARG 640.A O no hydrogen 3.133 N/A ILE 650.A N GLN 694.A O no hydrogen 2.915 N/A VAL 652.A N ILE 692.A O no hydrogen 2.915 N/A GLU 654.A N LYS 690.A O no hydrogen 3.422 N/A VAL 658.A N GLU 654.A O no hydrogen 2.913 N/A ASP 659.A N LYS 655.A O no hydrogen 2.870 N/A LYS 660.A N ASP 656.A O no hydrogen 2.937 N/A ALA 661.A N LEU 657.A O no hydrogen 2.895 N/A ARG 662.A N VAL 658.A O no hydrogen 2.880 N/A ARG 662.A NH1 ASP 659.A OD1 no hydrogen 2.971 N/A GLN 663.A N ASP 659.A O no hydrogen 2.905 N/A ILE 664.A N LYS 660.A O no hydrogen 2.920 N/A ASN 665.A N ARG 662.A O no hydrogen 2.835 N/A ILE 666.A N ALA 661.A O no hydrogen 2.455 N/A SER 670.A N ASN 668.A OD1 no hydrogen 3.242 N/A SER 670.A OG ASN 668.A OD1 no hydrogen 3.383 N/A TYR 673.A N LEU 669.A O no hydrogen 3.019 N/A TYR 673.A OH GLU 654.A OE1 no hydrogen 2.816 N/A ASP 674.A N SER 670.A O no hydrogen 2.913 N/A SER 675.A N PHE 672.A O no hydrogen 3.164 N/A SER 675.A OG PHE 672.A O no hydrogen 2.757 N/A PHE 678.A N SER 675.A OG no hydrogen 3.353 N/A ARG 679.A NH2 ASP 674.A O no hydrogen 3.284 N/A ARG 679.A NH2 GLU 676.A OE2 no hydrogen 2.776 N/A MET 680.A N GLU 676.A O no hydrogen 2.899 N/A ASN 681.A N LEU 677.A O no hydrogen 3.237 N/A ASN 681.A ND2 LEU 677.A O no hydrogen 2.641 N/A LYS 682.A N ARG 679.A O no hydrogen 3.054 N/A LYS 682.A NZ GLU 482.A OE1 no hydrogen 3.524 N/A LYS 682.A NZ GLU 482.A OE2 no hydrogen 3.050 N/A PHE 683.A N PHE 678.A O no hydrogen 3.126 N/A SER 684.A N LEU 693.A O no hydrogen 2.922 N/A SER 684.A OG LEU 693.A O no hydrogen 3.256 N/A HIS 685.A NE2 GLU 654.A OE1 no hydrogen 2.546 N/A ASP 686.A N MET 691.A O no hydrogen 2.898 N/A LYS 688.A N ASP 686.A OD1 no hydrogen 3.298 N/A LYS 688.A NZ ASP 686.A OD1 no hydrogen 2.688 N/A ARG 689.A NH1 GLU 651.A OE2 no hydrogen 2.869 N/A ARG 689.A NH2 GLU 651.A OE1 no hydrogen 2.804 N/A ARG 689.A NH2 GLU 651.A OE2 no hydrogen 3.275 N/A LYS 690.A NZ GLU 654.A OE2 no hydrogen 3.366 N/A MET 691.A N ASP 686.A O no hydrogen 2.934 N/A ILE 692.A N VAL 652.A O no hydrogen 2.911 N/A LEU 693.A N SER 684.A O no hydrogen 2.871 N/A GLN 694.A N ILE 650.A O no hydrogen 2.884 N/A GLN 694.A NE2 ASN 681.A O no hydrogen 3.167 N/A