Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5i6u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 6.A N LYS 2.A O no hydrogen 3.336 N/A ASN 6.A ND2 LYS 2.A O no hydrogen 2.316 N/A SER 7.A N LYS 3.A O no hydrogen 3.338 N/A GLN 8.A N LEU 4.A O no hydrogen 2.812 N/A ILE 9.A N ILE 5.A O no hydrogen 2.671 N/A SER 10.A N ASN 6.A O no hydrogen 2.942 N/A SER 10.A OG ASN 6.A O no hydrogen 3.368 N/A LEU 11.A N SER 7.A O no hydrogen 3.065 N/A LEU 12.A N GLN 8.A O no hydrogen 3.035 N/A ILE 13.A N ILE 9.A O no hydrogen 2.904 N/A GLY 14.A N SER 10.A O no hydrogen 3.159 N/A GLY 14.A N LEU 11.A O no hydrogen 3.400 N/A GLY 16.A N GLU 19.A OE2 no hydrogen 3.314 N/A LEU 17.A N SER 10.A OG no hydrogen 2.535 N/A GLU 19.A N GLY 16.A O no hydrogen 2.834 N/A PHE 20.A N LEU 17.A O no hydrogen 2.833 N/A LEU 23.A N PHE 20.A O no hydrogen 2.648 N/A ARG 24.A N ASP 21.A O no hydrogen 2.790 N/A ASN 29.A N PRO 26.A O no hydrogen 2.902 N/A ASP 30.A N PRO 26.A O no hydrogen 3.119 N/A PHE 31.A N GLU 27.A O no hydrogen 3.086 N/A ARG 32.A N VAL 28.A O no hydrogen 3.047 N/A ARG 32.A NH2 GLU 470.A OE2 no hydrogen 2.866 N/A THR 33.A N ASN 29.A O no hydrogen 3.283 N/A THR 33.A OG1 ASN 29.A O no hydrogen 2.865 N/A LYS 34.A N ASP 30.A O no hydrogen 2.551 N/A LYS 34.A NZ ASP 427.A OD1 no hydrogen 2.742 N/A LYS 34.A NZ ASP 427.A OD2 no hydrogen 3.137 N/A MET 35.A N PHE 31.A O no hydrogen 3.035 N/A ARG 36.A N ARG 32.A O no hydrogen 3.134 N/A ARG 36.A NE GLU 40.A OE2 no hydrogen 3.331 N/A GLN 37.A N THR 33.A O no hydrogen 3.427 N/A CYS 39.A N MET 35.A O no hydrogen 3.142 N/A GLU 40.A N ARG 36.A O no hydrogen 3.040 N/A GLU 41.A N GLN 37.A O no hydrogen 3.307 N/A ALA 42.A N PHE 38.A O no hydrogen 3.008 N/A ALA 43.A N CYS 39.A O no hydrogen 2.970 N/A ALA 44.A N GLU 40.A O no hydrogen 2.689 N/A HIS 45.A N GLU 41.A O no hydrogen 3.044 N/A ARG 46.A N ALA 42.A O no hydrogen 3.165 N/A ARG 46.A NH1 GLN 47.A OE1 no hydrogen 2.930 N/A GLN 47.A N ALA 43.A O no hydrogen 3.238 N/A GLN 47.A N ALA 44.A O no hydrogen 3.051 N/A GLN 47.A NE2 ARG 161.A O no hydrogen 2.256 N/A GLN 48.A N HIS 45.A O no hydrogen 3.464 N/A LEU 49.A N HIS 45.A O no hydrogen 3.337 N/A GLY 50.A N GLU 53.A OE1 no hydrogen 2.618 N/A TRP 54.A N GLY 50.A O no hydrogen 2.808 N/A TRP 54.A N TRP 51.A O no hydrogen 2.644 N/A LEU 55.A N TRP 51.A O no hydrogen 2.982 N/A GLN 56.A N VAL 52.A O no hydrogen 2.837 N/A TYR 57.A N TRP 54.A O no hydrogen 2.827 N/A SER 58.A N TRP 54.A O no hydrogen 2.894 N/A PHE 59.A N LEU 55.A O no hydrogen 2.867 N/A GLU 64.A N HIS 133.A O no hydrogen 2.787 N/A VAL 73.A N PHE 82.A O no hydrogen 2.837 N/A LYS 74.A N LEU 149.A O no hydrogen 3.352 N/A LYS 74.A NZ SER 81.A OG no hydrogen 2.995 N/A GLU 80.A N SER 78.A OG no hydrogen 2.696 N/A SER 81.A OG GLU 79.A O no hydrogen 3.013 N/A PHE 82.A N VAL 73.A O no hydrogen 3.064 N/A VAL 86.A N LEU 69.A O no hydrogen 3.308 N/A LYS 89.A N SER 87.A OG no hydrogen 3.154 N/A MET 96.A N PRO 92.A O no hydrogen 3.316 N/A ALA 97.A N LEU 93.A O no hydrogen 2.533 N/A CYS 98.A N ALA 94.A O no hydrogen 2.742 N/A ALA 99.A N LEU 95.A O no hydrogen 2.622 N/A LEU 100.A N MET 96.A O no hydrogen 3.097 N/A ALA 104.A N LEU 100.A O no hydrogen 2.613 N/A THR 105.A OG1 ARG 101.A O no hydrogen 3.048 N/A PHE 107.A N LYS 103.A O no hydrogen 2.869 N/A GLU 112.A N GLU 112.A OE1 no hydrogen 2.434 N/A GLU 113.A N GLN 110.A O no hydrogen 3.030 N/A ALA 115.A N VAL 152.A O no hydrogen 2.798 N/A LEU 116.A N LEU 125.A O no hydrogen 3.201 N/A GLN 117.A N THR 150.A O no hydrogen 2.955 N/A GLN 117.A NE2 VAL 118.A O no hydrogen 3.384 N/A VAL 118.A N GLU 123.A O no hydrogen 2.793 N/A ASN 119.A ND2 THR 150.A OG1 no hydrogen 2.501 N/A HIS 122.A N SER 539.A O no hydrogen 2.859 N/A LEU 125.A N LEU 116.A O no hydrogen 2.479 N/A TYR 126.A OH PHE 59.A O no hydrogen 3.157 N/A LEU 131.A N THR 88.A O no hydrogen 3.189 N/A CYS 132.A N THR 88.A O no hydrogen 3.244 N/A CYS 132.A SG THR 88.A O no hydrogen 3.608 N/A PHE 134.A N LEU 131.A O no hydrogen 3.387 N/A GLN 135.A N GLN 62.A O no hydrogen 3.051 N/A CYS 138.A N PHE 134.A O no hydrogen 2.969 N/A CYS 140.A N TYR 136.A O no hydrogen 2.864 N/A LEU 141.A N ILE 137.A O no hydrogen 2.963 N/A SER 143.A N SER 139.A O no hydrogen 3.230 N/A GLY 144.A N LEU 141.A O no hydrogen 3.186 N/A LEU 145.A N CYS 140.A O no hydrogen 2.791 N/A LEU 149.A N ASN 72.A O no hydrogen 3.146 N/A VAL 152.A N ALA 115.A O no hydrogen 2.827 N/A HIS 153.A ND1 SER 155.A OG no hydrogen 3.221 N/A SER 154.A N GLU 113.A O no hydrogen 2.883 N/A SER 154.A OG GLU 113.A O no hydrogen 3.407 N/A SER 154.A OG GLU 113.A OE1 no hydrogen 3.249 N/A SER 155.A N HIS 153.A ND1 no hydrogen 3.160 N/A SER 155.A OG HIS 153.A ND1 no hydrogen 3.221 N/A SER 156.A N HIS 153.A O no hydrogen 2.721 N/A SER 156.A OG GLU 76.A OE2 no hydrogen 2.417 N/A ILE 157.A N HIS 153.A O no hydrogen 3.187 N/A ILE 157.A N SER 154.A O no hydrogen 3.225 N/A LEU 158.A N SER 154.A O no hydrogen 3.179 N/A ARG 161.A NH1 LEU 49.A O no hydrogen 2.383 N/A ASP 162.A N LEU 158.A O no hydrogen 2.908 N/A GLU 163.A N ALA 159.A O no hydrogen 3.195 N/A GLN 164.A N MET 160.A O no hydrogen 3.268 N/A SER 165.A N ASP 162.A O no hydrogen 3.203 N/A SER 165.A OG GLU 163.A O no hydrogen 3.160 N/A GLN 172.A N GLN 172.A OE1 no hydrogen 2.734 N/A PHE 174.A N ILE 224.A O no hydrogen 2.886 N/A ILE 176.A N LEU 220.A O no hydrogen 2.746 N/A GLU 177.A N TYR 297.A O no hydrogen 3.141 N/A LEU 178.A N GLN 218.A O no hydrogen 3.180 N/A ILE 179.A N VAL 295.A O no hydrogen 3.022 N/A GLY 181.A N PRO 214.A O no hydrogen 2.833 N/A ARG 182.A N ALA 293.A O no hydrogen 3.272 N/A LYS 185.A N VAL 242.A O no hydrogen 2.746 N/A LEU 186.A N VAL 208.A O no hydrogen 2.501 N/A VAL 187.A N TYR 240.A O no hydrogen 3.332 N/A ALA 190.A N VAL 203.A O no hydrogen 3.194 N/A GLY 191.A N CYS 236.A O no hydrogen 3.412 N/A PHE 193.A N ARG 234.A O no hydrogen 2.838 N/A HIS 194.A N GLU 197.A O no hydrogen 3.253 N/A LEU 199.A N LEU 192.A O no hydrogen 2.711 N/A CYS 200.A SG LYS 201.A O no hydrogen 3.082 N/A SER 204.A OG SER 205.A O no hydrogen 3.484 N/A SER 205.A OG GLN 218.A OE1 no hydrogen 2.215 N/A SER 206.A N GLN 218.A OE1 no hydrogen 2.655 N/A SER 206.A OG GLU 207.A O no hydrogen 3.428 N/A VAL 208.A N LEU 186.A O no hydrogen 3.319 N/A VAL 210.A N MET 184.A O no hydrogen 3.238 N/A TRP 216.A N ILE 179.A O no hydrogen 2.487 N/A LYS 217.A N ILE 179.A O no hydrogen 3.300 N/A LEU 220.A N ILE 176.A O no hydrogen 2.655 N/A PHE 222.A N PHE 174.A O no hydrogen 2.763 N/A ILE 224.A N PHE 222.A O no hydrogen 2.853 N/A SER 225.A OG ASP 228.A OD2 no hydrogen 3.541 N/A CYS 227.A N LEU 170.A O no hydrogen 2.931 N/A CYS 227.A SG SER 225.A OG no hydrogen 2.997 N/A CYS 227.A SG ASP 228.A OD2 no hydrogen 2.961 N/A LEU 229.A N VAL 226.A O no hydrogen 3.349 N/A ARG 231.A NH1 ARG 231.A O no hydrogen 2.835 N/A ARG 231.A NH1 TYR 425.A OH no hydrogen 3.160 N/A ARG 234.A N PHE 193.A O no hydrogen 2.659 N/A ARG 234.A NH1 PRO 278.A O no hydrogen 3.245 N/A ARG 234.A NH2 TYR 422.A O no hydrogen 3.321 N/A ARG 234.A NH2 SER 424.A OG no hydrogen 2.544 N/A LEU 235.A N LEU 252.A O no hydrogen 2.913 N/A CYS 236.A N GLY 191.A O no hydrogen 3.278 N/A PHE 237.A N ALA 250.A O no hydrogen 2.744 N/A ALA 238.A N GLN 189.A O no hydrogen 3.145 N/A LEU 239.A N ALA 248.A O no hydrogen 3.083 N/A TYR 240.A N VAL 187.A O no hydrogen 3.283 N/A CYS 245.A N ALA 241.A O no hydrogen 3.261 N/A CYS 245.A SG PRO 246.A O no hydrogen 4.001 N/A ALA 248.A N LEU 239.A O no hydrogen 3.476 N/A TRP 249.A N TRP 271.A O no hydrogen 2.502 N/A ALA 250.A N PHE 237.A O no hydrogen 3.223 N/A ASN 251.A ND2 ASN 277.A O no hydrogen 2.673 N/A ASN 251.A ND2 GLY 280.A O no hydrogen 3.147 N/A LEU 252.A N LEU 235.A O no hydrogen 2.981 N/A LEU 254.A N ALA 233.A O no hydrogen 3.455 N/A LYS 258.A N ASP 256.A OD1 no hydrogen 2.494 N/A ASP 259.A N ASP 256.A O no hydrogen 2.978 N/A GLN 260.A N ASP 256.A OD2 no hydrogen 3.318 N/A GLN 260.A NE2 LEU 261.A O no hydrogen 2.979 N/A LEU 261.A N VAL 304.A O no hydrogen 3.022 N/A LYS 262.A N LEU 254.A O no hydrogen 3.038 N/A LYS 262.A NZ MET 253.A O no hydrogen 2.563 N/A THR 263.A OG1 GLU 300.A OE1 no hydrogen 3.422 N/A THR 263.A OG1 GLU 300.A OE2 no hydrogen 2.672 N/A ARG 266.A NH2 THR 263.A O no hydrogen 3.015 N/A LEU 268.A N LEU 294.A O no hydrogen 2.676 N/A MET 270.A N ALA 292.A O no hydrogen 3.045 N/A TRP 271.A N TRP 249.A O no hydrogen 2.905 N/A VAL 282.A N THR 281.A OG1 no hydrogen 2.870 N/A ARG 283.A NH1 GLU 27.A OE1 no hydrogen 3.201 N/A ARG 283.A NH2 GLU 27.A OE1 no hydrogen 2.670 N/A ARG 283.A NH2 GLU 27.A OE2 no hydrogen 3.544 N/A ASN 285.A N TYR 269.A O no hydrogen 2.847 N/A ASN 287.A N ASN 285.A OD1 no hydrogen 2.715 N/A THR 288.A OG1 PRO 286.A O no hydrogen 3.254 N/A SER 290.A OG ASN 287.A OD1 no hydrogen 2.726 N/A SER 290.A OG GLU 289.A OE1 no hydrogen 2.603 N/A ALA 291.A N ASN 287.A O no hydrogen 3.278 N/A LEU 294.A N LEU 268.A O no hydrogen 2.862 N/A VAL 295.A N GLU 180.A O no hydrogen 3.337 N/A TYR 297.A N GLU 177.A O no hydrogen 2.470 N/A LEU 313.A N LEU 309.A O no hydrogen 3.280 N/A ARG 322.A NH1 GLU 345.A OE1 no hydrogen 2.182 N/A LEU 331.A N ASP 330.A OD1 no hydrogen 2.403 N/A VAL 332.A N GLU 328.A O no hydrogen 3.457 N/A TRP 333.A N LYS 329.A O no hydrogen 3.077 N/A LYS 334.A N ASP 330.A O no hydrogen 2.468 N/A MET 335.A N LEU 331.A O no hydrogen 3.035 N/A ARG 336.A N TRP 333.A O no hydrogen 3.093 N/A GLN 340.A N ARG 336.A O no hydrogen 3.236 N/A GLN 340.A NE2 SER 371.A OG no hydrogen 3.304 N/A GLU 341.A N HIS 337.A O no hydrogen 3.304 N/A HIS 342.A N GLU 338.A O no hydrogen 2.639 N/A ALA 346.A N PRO 344.A O no hydrogen 2.706 N/A LEU 347.A N PRO 344.A O no hydrogen 3.153 N/A LEU 350.A N ALA 346.A O no hydrogen 3.364 N/A LEU 351.A N LEU 347.A O no hydrogen 3.177 N/A LEU 352.A N ALA 348.A O no hydrogen 3.133 N/A VAL 353.A N LEU 350.A O no hydrogen 2.545 N/A THR 354.A N LEU 350.A O no hydrogen 3.058 N/A ASN 357.A ND2 LEU 199.A O no hydrogen 3.374 N/A LYS 358.A NZ ASP 228.A OD2 no hydrogen 3.342 N/A HIS 359.A N ASP 228.A OD1 no hydrogen 2.290 N/A HIS 359.A ND1 ASP 228.A OD1 no hydrogen 2.125 N/A ALA 363.A N HIS 359.A O no hydrogen 2.949 N/A GLN 364.A N GLU 360.A O no hydrogen 3.061 N/A MET 365.A N ASP 361.A O no hydrogen 2.509 N/A LEU 366.A N VAL 362.A O no hydrogen 2.621 N/A TYR 367.A N ALA 363.A O no hydrogen 2.976 N/A LEU 368.A N MET 365.A O no hydrogen 3.053 N/A LEU 369.A N LEU 366.A O no hydrogen 2.823 N/A CYS 370.A SG LEU 366.A O no hydrogen 3.623 N/A SER 371.A OG GLN 340.A OE1 no hydrogen 3.227 N/A SER 371.A OG LEU 368.A O no hydrogen 3.346 N/A TRP 372.A NE1 PRO 344.A O no hydrogen 2.968 N/A LEU 375.A N SER 400.A OG no hydrogen 2.468 N/A SER 379.A N PRO 376.A O no hydrogen 2.693 N/A ALA 380.A N PRO 376.A O no hydrogen 2.989 N/A LEU 381.A N VAL 377.A O no hydrogen 2.792 N/A GLU 382.A N SER 379.A O no hydrogen 2.781 N/A LEU 383.A N SER 379.A O no hydrogen 3.350 N/A ASP 385.A N GLU 382.A O no hydrogen 2.882 N/A SER 387.A N ASP 385.A OD2 no hydrogen 3.394 N/A SER 387.A OG ASP 385.A OD2 no hydrogen 3.242 N/A PHE 388.A N ASP 385.A O no hydrogen 2.947 N/A TYR 392.A N ASP 390.A OD2 no hydrogen 3.163 N/A GLY 394.A N ASP 390.A O no hydrogen 3.025 N/A SER 395.A N CYS 391.A O no hydrogen 2.861 N/A SER 395.A OG TYR 392.A O no hydrogen 2.654 N/A PHE 396.A N TYR 392.A O no hydrogen 2.499 N/A ALA 397.A N VAL 393.A O no hydrogen 2.358 N/A ILE 398.A N GLY 394.A O no hydrogen 2.831 N/A LYS 399.A N SER 395.A O no hydrogen 2.583 N/A SER 400.A N PHE 396.A O no hydrogen 2.744 N/A SER 400.A OG PHE 396.A O no hydrogen 3.500 N/A LEU 401.A N ILE 398.A O no hydrogen 2.804 N/A ARG 402.A N ILE 398.A O no hydrogen 3.221 N/A LYS 403.A NZ GLU 374.A OE1 no hydrogen 3.212 N/A LEU 404.A N LEU 401.A O no hydrogen 2.963 N/A THR 405.A N GLU 408.A OE1 no hydrogen 3.007 N/A THR 405.A OG1 GLU 408.A OE1 no hydrogen 2.155 N/A LEU 409.A N THR 405.A O no hydrogen 2.824 N/A PHE 410.A N ASP 406.A O no hydrogen 2.928 N/A GLN 411.A N GLU 408.A O no hydrogen 2.872 N/A TYR 412.A N GLU 408.A O no hydrogen 3.092 N/A TYR 412.A N LEU 409.A O no hydrogen 3.033 N/A GLN 415.A N TYR 412.A O no hydrogen 3.076 N/A LEU 416.A N TYR 412.A O no hydrogen 3.159 N/A VAL 417.A N LEU 413.A O no hydrogen 3.090 N/A GLN 418.A N LEU 414.A O no hydrogen 3.487 N/A VAL 419.A N GLN 415.A O no hydrogen 2.984 N/A LEU 420.A N VAL 417.A O no hydrogen 2.816 N/A LYS 421.A N GLN 418.A O no hydrogen 3.257 N/A LYS 421.A NZ GLU 455.A OE2 no hydrogen 3.427 N/A TYR 422.A N VAL 419.A O no hydrogen 3.050 N/A TYR 425.A OH PHE 255.A O no hydrogen 2.920 N/A CYS 428.A SG LEU 426.A O no hydrogen 3.726 N/A CYS 428.A SG THR 431.A OG1 no hydrogen 3.320 N/A LYS 432.A N CYS 428.A O no hydrogen 3.055 N/A PHE 433.A N GLU 429.A O no hydrogen 2.853 N/A LEU 434.A N LEU 430.A O no hydrogen 2.761 N/A LEU 435.A N THR 431.A O no hydrogen 3.052 N/A GLY 436.A N LYS 432.A O no hydrogen 2.884 N/A ARG 437.A N PHE 433.A O no hydrogen 2.806 N/A ARG 437.A NH2 LEU 404.A O no hydrogen 3.471 N/A ARG 437.A NH2 ASP 406.A OD2 no hydrogen 3.042 N/A ALA 438.A N LEU 434.A O no hydrogen 2.808 N/A LEU 439.A N LEU 435.A O no hydrogen 2.969 N/A ALA 440.A N ARG 437.A O no hydrogen 2.648 N/A ASN 441.A N ALA 438.A O no hydrogen 3.277 N/A ARG 442.A N TYR 57.A O no hydrogen 2.970 N/A ARG 442.A NE SER 58.A O no hydrogen 3.268 N/A ARG 442.A NE SER 58.A OG no hydrogen 3.393 N/A ARG 442.A NH1 GLN 533.A OE1 no hydrogen 3.114 N/A ARG 442.A NH2 SER 58.A O no hydrogen 2.828 N/A LYS 443.A N ASN 441.A OD1 no hydrogen 2.912 N/A ILE 444.A N ASN 441.A OD1 no hydrogen 3.218 N/A GLY 445.A N ASN 441.A O no hydrogen 2.903 N/A HIS 446.A N ARG 442.A O no hydrogen 2.951 N/A HIS 446.A NE2 PRO 535.A O no hydrogen 2.605 N/A PHE 447.A N LYS 443.A O no hydrogen 3.233 N/A LEU 448.A N ILE 444.A O no hydrogen 2.836 N/A PHE 449.A N GLY 445.A O no hydrogen 3.089 N/A TRP 450.A N HIS 446.A O no hydrogen 3.286 N/A TRP 450.A NE1 GLN 486.A OE1 no hydrogen 3.040 N/A HIS 451.A N PHE 447.A O no hydrogen 3.062 N/A HIS 451.A N LEU 448.A O no hydrogen 3.185 N/A LEU 452.A N PHE 449.A O no hydrogen 2.993 N/A ARG 453.A N PHE 449.A O no hydrogen 2.576 N/A ARG 453.A NE LEU 12.A O no hydrogen 3.343 N/A ARG 453.A NH1 ARG 453.A O no hydrogen 2.307 N/A SER 454.A N TRP 450.A O no hydrogen 3.079 N/A SER 454.A OG TRP 450.A O no hydrogen 3.058 N/A SER 454.A OG HIS 451.A O no hydrogen 3.306 N/A GLU 455.A N LEU 452.A O no hydrogen 2.927 N/A VAL 458.A N GLU 455.A O no hydrogen 2.884 N/A VAL 461.A N VAL 458.A O no hydrogen 3.012 N/A ARG 464.A NH1 TYR 425.A O no hydrogen 3.067 N/A ARG 464.A NH2 TYR 425.A O no hydrogen 3.013 N/A PHE 465.A N VAL 461.A O no hydrogen 3.075 N/A GLY 466.A N ALA 462.A O no hydrogen 2.909 N/A LEU 467.A N LEU 463.A O no hydrogen 2.783 N/A ILE 468.A N ARG 464.A O no hydrogen 2.904 N/A MET 469.A N PHE 465.A O no hydrogen 2.893 N/A GLU 470.A N GLY 466.A O no hydrogen 3.014 N/A ALA 471.A N LEU 467.A O no hydrogen 3.147 N/A TYR 472.A N ILE 468.A O no hydrogen 2.994 N/A TYR 472.A OH HIS 479.A ND1 no hydrogen 2.654 N/A CYS 473.A N MET 469.A O no hydrogen 3.044 N/A CYS 473.A SG MET 469.A O no hydrogen 3.780 N/A ARG 474.A N GLU 470.A O no hydrogen 2.949 N/A GLY 475.A N ALA 471.A O no hydrogen 3.116 N/A SER 476.A N CYS 473.A O no hydrogen 2.981 N/A HIS 479.A ND1 TYR 472.A OH no hydrogen 2.654 N/A MET 480.A N SER 476.A O no hydrogen 3.083 N/A LYS 481.A N THR 477.A O no hydrogen 3.374 N/A LYS 481.A NZ GLN 8.A OE1 no hydrogen 2.974 N/A VAL 482.A N HIS 478.A O no hydrogen 3.377 N/A VAL 482.A N HIS 479.A O no hydrogen 3.218 N/A LEU 483.A N HIS 479.A O no hydrogen 3.045 N/A MET 484.A N MET 480.A O no hydrogen 3.056 N/A LYS 485.A N LYS 481.A O no hydrogen 3.092 N/A LYS 485.A NZ GLU 527.A O no hydrogen 2.762 N/A LYS 485.A NZ ALA 528.A O no hydrogen 2.596 N/A LYS 485.A NZ SER 530.A O no hydrogen 3.180 N/A GLN 486.A N VAL 482.A O no hydrogen 3.352 N/A GLN 486.A NE2 VAL 482.A O no hydrogen 3.424 N/A GLY 487.A N LEU 483.A O no hydrogen 2.787 N/A GLU 488.A N MET 484.A O no hydrogen 2.806 N/A ALA 489.A N LYS 485.A O no hydrogen 3.235 N/A LEU 490.A N GLN 486.A O no hydrogen 3.133 N/A SER 491.A N GLY 487.A O no hydrogen 2.984 N/A LYS 492.A N GLU 488.A O no hydrogen 3.015 N/A LEU 493.A N ALA 489.A O no hydrogen 2.869 N/A LYS 494.A N LEU 490.A O no hydrogen 3.230 N/A LYS 494.A NZ ASP 498.A OD1 no hydrogen 2.411 N/A ALA 495.A N SER 491.A O no hydrogen 3.294 N/A LEU 496.A N LYS 492.A O no hydrogen 2.897 N/A ASN 497.A N LEU 493.A O no hydrogen 2.850 N/A ASP 498.A N LYS 494.A O no hydrogen 2.892 N/A PHE 499.A N ALA 495.A O no hydrogen 3.012 N/A VAL 500.A N LEU 496.A O no hydrogen 2.856 N/A LYS 501.A N ASN 497.A O no hydrogen 2.710 N/A LYS 501.A NZ ASN 581.A O no hydrogen 3.171 N/A VAL 502.A N ASP 498.A O no hydrogen 2.987 N/A SER 503.A N PHE 499.A O no hydrogen 2.759 N/A SER 503.A OG THR 512.A OG1 no hydrogen 3.325 N/A SER 504.A N VAL 500.A O no hydrogen 3.041 N/A SER 504.A OG VAL 500.A O no hydrogen 2.962 N/A SER 504.A OG LYS 501.A O no hydrogen 2.508 N/A GLN 505.A N LYS 501.A O no hydrogen 3.319 N/A GLN 505.A N VAL 502.A O no hydrogen 3.018 N/A LYS 506.A N SER 503.A O no hydrogen 3.179 N/A THR 507.A N SER 503.A O no hydrogen 3.210 N/A THR 508.A N THR 507.A OG1 no hydrogen 2.337 N/A GLN 511.A N THR 508.A OG1 no hydrogen 3.314 N/A THR 512.A N THR 508.A O no hydrogen 3.013 N/A THR 512.A OG1 SER 503.A OG no hydrogen 3.325 N/A THR 512.A OG1 THR 508.A O no hydrogen 2.975 N/A LYS 513.A N LYS 509.A O no hydrogen 2.942 N/A GLU 514.A N PRO 510.A O no hydrogen 2.974 N/A MET 515.A N GLN 511.A O no hydrogen 2.944 N/A MET 516.A N THR 512.A O no hydrogen 2.755 N/A HIS 517.A N LYS 513.A O no hydrogen 3.223 N/A HIS 517.A NE2 CYS 550.A O no hydrogen 2.796 N/A MET 518.A N MET 515.A O no hydrogen 3.096 N/A CYS 519.A N MET 515.A O no hydrogen 3.059 N/A MET 520.A N MET 516.A O no hydrogen 2.984 N/A ARG 521.A N HIS 517.A O no hydrogen 3.234 N/A ARG 521.A N MET 518.A O no hydrogen 3.010 N/A GLN 522.A N CYS 519.A O no hydrogen 3.327 N/A MET 526.A N GLN 522.A O no hydrogen 3.114 N/A GLU 527.A N GLU 523.A O no hydrogen 3.146 N/A ALA 528.A N THR 524.A O no hydrogen 3.276 N/A LEU 529.A N TYR 525.A O no hydrogen 2.924 N/A SER 530.A N GLU 527.A O no hydrogen 3.434 N/A SER 530.A OG MET 526.A O no hydrogen 3.160 N/A SER 530.A OG GLU 543.A O no hydrogen 3.464 N/A HIS 531.A N GLU 543.A O no hydrogen 3.125 N/A LEU 532.A N LEU 542.A O no hydrogen 2.800 N/A SER 534.A N THR 540.A O no hydrogen 3.189 N/A ASP 537.A N SER 534.A O no hydrogen 2.845 N/A ASP 537.A N SER 534.A OG no hydrogen 3.344 N/A SER 539.A N ASP 537.A OD1 no hydrogen 3.482 N/A SER 539.A OG ASP 537.A OD1 no hydrogen 2.988 N/A SER 539.A OG ASP 537.A OD2 no hydrogen 3.370 N/A THR 540.A N ASP 537.A O no hydrogen 2.719 N/A THR 540.A OG1 ASP 537.A O no hydrogen 3.428 N/A THR 540.A OG1 ASP 537.A OD2 no hydrogen 3.001 N/A GLU 544.A N SER 565.A O no hydrogen 3.205 N/A CYS 546.A N MET 563.A O no hydrogen 3.313 N/A CYS 546.A SG GLU 544.A O no hydrogen 4.038 N/A CYS 546.A SG SER 565.A OG no hydrogen 3.018 N/A GLN 549.A N CYS 546.A O no hydrogen 3.348 N/A CYS 550.A N VAL 547.A O no hydrogen 3.179 N/A CYS 550.A SG CYS 546.A O no hydrogen 3.132 N/A THR 551.A N TRP 561.A O no hydrogen 3.114 N/A THR 551.A OG1 PHE 552.A O no hydrogen 3.560 N/A PHE 552.A N THR 551.A OG1 no hydrogen 2.530 N/A MET 553.A N PRO 559.A O no hydrogen 2.984 N/A SER 555.A N MET 553.A O no hydrogen 2.670 N/A LYS 558.A N SER 555.A O no hydrogen 2.767 N/A LEU 560.A N PHE 579.A O no hydrogen 2.765 N/A TRP 561.A N THR 551.A O no hydrogen 3.145 N/A ILE 562.A N ILE 577.A O no hydrogen 2.847 N/A TYR 564.A N VAL 575.A O no hydrogen 2.531 N/A TYR 564.A OH LEU 529.A O no hydrogen 2.334 N/A SER 565.A N GLU 544.A O no hydrogen 2.975 N/A SER 565.A OG GLU 544.A O no hydrogen 3.153 N/A SER 566.A N GLY 573.A O no hydrogen 3.188 N/A SER 566.A OG GLU 543.A OE1 no hydrogen 2.624 N/A GLY 570.A N GLU 567.A O no hydrogen 3.372 N/A ASN 574.A N SER 571.A O no hydrogen 3.113 N/A ILE 577.A N ILE 562.A O no hydrogen 2.864 N/A ILE 578.A N ILE 626.A O no hydrogen 2.790 N/A PHE 579.A N LEU 560.A O no hydrogen 3.134 N/A LYS 580.A N GLY 624.A O no hydrogen 3.180 N/A GLY 582.A N ARG 622.A O no hydrogen 2.886 N/A ARG 586.A N ASP 584.A OD1 no hydrogen 2.938 N/A ARG 586.A NE ASP 584.A OD1 no hydrogen 3.019 N/A ARG 586.A NE ASP 584.A OD2 no hydrogen 3.142 N/A ARG 586.A NH1 ALA 774.A O no hydrogen 2.784 N/A ARG 586.A NH2 ASP 584.A OD2 no hydrogen 2.984 N/A LEU 590.A N ARG 586.A O no hydrogen 3.130 N/A THR 591.A N GLN 587.A O no hydrogen 2.954 N/A THR 591.A OG1 GLN 587.A O no hydrogen 3.027 N/A LEU 592.A N ASP 588.A O no hydrogen 2.633 N/A GLN 593.A N MET 589.A O no hydrogen 2.732 N/A MET 594.A N LEU 590.A O no hydrogen 3.015 N/A ILE 595.A N THR 591.A O no hydrogen 3.017 N/A GLN 596.A N LEU 592.A O no hydrogen 3.047 N/A LEU 597.A N GLN 593.A O no hydrogen 2.957 N/A MET 598.A N MET 594.A O no hydrogen 2.841 N/A ASP 599.A N ILE 595.A O no hydrogen 2.945 N/A VAL 600.A N GLN 596.A O no hydrogen 3.197 N/A VAL 600.A N LEU 597.A O no hydrogen 3.035 N/A LEU 601.A N LEU 597.A O no hydrogen 3.209 N/A TRP 602.A N MET 598.A O no hydrogen 3.094 N/A TRP 602.A NE1 ALA 753.A O no hydrogen 3.015 N/A LYS 603.A N ASP 599.A O no hydrogen 3.069 N/A LYS 603.A NZ ASP 599.A OD2 no hydrogen 2.609 N/A GLN 604.A N VAL 600.A O no hydrogen 2.702 N/A GLU 605.A N TRP 602.A O no hydrogen 3.123 N/A GLY 606.A N LYS 603.A O no hydrogen 2.801 N/A LEU 607.A N TRP 602.A O no hydrogen 2.658 N/A ARG 610.A N ASP 608.A OD1 no hydrogen 2.442 N/A THR 612.A OG1 TYR 681.A OH no hydrogen 3.217 N/A TYR 614.A N THR 612.A O no hydrogen 3.097 N/A TYR 614.A OH HIS 708.A O no hydrogen 2.661 N/A GLY 615.A N GLU 627.A OE1 no hydrogen 3.284 N/A LEU 617.A N LEU 625.A O no hydrogen 2.864 N/A THR 619.A N THR 623.A O no hydrogen 2.930 N/A THR 619.A OG1 THR 623.A O no hydrogen 3.249 N/A GLY 620.A N THR 623.A O no hydrogen 2.956 N/A THR 623.A N GLY 620.A O no hydrogen 3.337 N/A THR 623.A OG1 ASP 621.A O no hydrogen 3.569 N/A GLY 624.A N LYS 580.A O no hydrogen 3.144 N/A LEU 625.A N LEU 617.A O no hydrogen 2.945 N/A ILE 626.A N ILE 578.A O no hydrogen 3.084 N/A GLU 627.A N GLY 615.A O no hydrogen 2.961 N/A VAL 628.A N GLY 576.A O no hydrogen 3.400 N/A SER 632.A OG VAL 629.A O no hydrogen 3.074 N/A ASP 633.A N ILE 700.A O no hydrogen 3.031 N/A ILE 635.A N ILE 698.A O no hydrogen 3.151 N/A ALA 636.A N SER 695.A O no hydrogen 2.668 N/A ASN 637.A N THR 634.A OG1 no hydrogen 3.329 N/A ILE 638.A N THR 634.A O no hydrogen 3.162 N/A GLN 639.A N ILE 635.A O no hydrogen 2.742 N/A GLN 639.A NE2 ASP 727.A OD2 no hydrogen 3.114 N/A LEU 640.A N ASN 637.A O no hydrogen 2.858 N/A ASN 641.A ND2 ALA 647.A O no hydrogen 3.346 N/A LYS 642.A NZ SER 643.A OG no hydrogen 2.972 N/A MET 645.A N ASN 644.A OD1 no hydrogen 2.234 N/A ASN 650.A ND2 GLN 639.A O no hydrogen 2.896 N/A ASP 652.A N PHE 649.A O no hydrogen 2.876 N/A ALA 653.A N ASN 650.A O no hydrogen 3.266 N/A ASN 656.A N ASP 652.A O no hydrogen 2.773 N/A TRP 657.A N ALA 653.A O no hydrogen 2.694 N/A LEU 658.A N LEU 654.A O no hydrogen 2.914 N/A LYS 659.A N LEU 655.A O no hydrogen 2.731 N/A SER 660.A N ASN 656.A O no hydrogen 2.882 N/A SER 660.A OG TRP 657.A O no hydrogen 3.101 N/A LYS 661.A N TRP 657.A O no hydrogen 3.125 N/A LYS 661.A N LEU 658.A O no hydrogen 3.086 N/A LYS 661.A NZ GLU 702.A OE2 no hydrogen 3.088 N/A ASN 662.A N LEU 658.A O no hydrogen 2.995 N/A ASN 662.A N LYS 659.A O no hydrogen 3.019 N/A ASN 662.A ND2 LEU 658.A O no hydrogen 2.566 N/A ASN 662.A ND2 GLU 702.A O no hydrogen 3.187 N/A ASP 668.A N GLU 665.A O no hydrogen 2.905 N/A ALA 670.A N ALA 666.A O no hydrogen 3.176 N/A ILE 671.A N LEU 667.A O no hydrogen 3.111 N/A GLU 672.A N ASP 668.A O no hydrogen 3.269 N/A GLU 673.A N ARG 669.A O no hydrogen 2.881 N/A PHE 674.A N ALA 670.A O no hydrogen 2.715 N/A THR 675.A N ILE 671.A O no hydrogen 2.918 N/A THR 675.A OG1 ILE 671.A O no hydrogen 2.665 N/A LEU 676.A N GLU 672.A O no hydrogen 2.841 N/A SER 677.A N GLU 673.A O no hydrogen 2.966 N/A SER 677.A OG GLU 673.A O no hydrogen 2.503 N/A SER 677.A OG PHE 674.A O no hydrogen 3.118 N/A CYS 678.A N PHE 674.A O no hydrogen 2.871 N/A ALA 679.A N THR 675.A O no hydrogen 3.032 N/A GLY 680.A N LEU 676.A O no hydrogen 2.933 N/A TYR 681.A N SER 677.A O no hydrogen 2.890 N/A CYS 682.A N CYS 678.A O no hydrogen 3.203 N/A CYS 682.A SG CYS 678.A O no hydrogen 2.894 N/A CYS 682.A SG ILE 723.A O no hydrogen 3.755 N/A VAL 683.A N ALA 679.A O no hydrogen 3.157 N/A VAL 683.A N GLY 680.A O no hydrogen 2.994 N/A ALA 684.A N GLY 680.A O no hydrogen 2.717 N/A THR 685.A N TYR 681.A O no hydrogen 2.759 N/A THR 685.A OG1 TYR 681.A O no hydrogen 2.786 N/A THR 685.A OG1 CYS 682.A O no hydrogen 3.477 N/A TYR 686.A N CYS 682.A O no hydrogen 3.089 N/A VAL 687.A N VAL 683.A O no hydrogen 2.860 N/A LEU 688.A N ALA 684.A O no hydrogen 3.039 N/A GLY 689.A N THR 685.A O no hydrogen 3.063 N/A ILE 690.A N THR 685.A O no hydrogen 3.107 N/A GLY 691.A N HIS 713.A O no hydrogen 3.261 N/A ARG 693.A NE HIS 708.A ND1 no hydrogen 3.330 N/A ARG 693.A NH1 GLY 691.A O no hydrogen 3.189 N/A ARG 693.A NH1 ASP 710.A O no hydrogen 3.238 N/A ARG 693.A NH2 ILE 709.A O no hydrogen 2.293 N/A HIS 694.A N ASN 697.A OD1 no hydrogen 2.951 N/A ASN 697.A N HIS 694.A O no hydrogen 2.975 N/A MET 699.A N PHE 707.A O no hydrogen 2.921 N/A ILE 700.A N ASP 633.A O no hydrogen 2.853 N/A ARG 701.A N GLN 705.A O no hydrogen 2.927 N/A GLU 702.A N HIS 631.A O no hydrogen 3.239 N/A GLY 704.A N ARG 701.A O no hydrogen 2.619 N/A GLN 705.A N SER 703.A OG no hydrogen 3.404 N/A LEU 706.A N SER 677.A OG no hydrogen 3.124 N/A PHE 707.A N MET 699.A O no hydrogen 2.872 N/A ILE 709.A N ASN 697.A O no hydrogen 3.190 N/A PHE 711.A N ASP 588.A OD1 no hydrogen 2.959 N/A PHE 714.A N GLU 778.A OE2 no hydrogen 3.352 N/A LEU 715.A N LEU 688.A O no hydrogen 2.888 N/A GLY 716.A N GLY 689.A O no hydrogen 3.432 N/A ASN 717.A N PHE 714.A O no hydrogen 3.149 N/A VAL 720.A N TYR 787.A OH no hydrogen 2.623 N/A PHE 728.A N THR 725.A O no hydrogen 3.099 N/A VAL 729.A N THR 725.A O no hydrogen 2.893 N/A HIS 730.A N TYR 726.A O no hydrogen 2.517 N/A VAL 731.A N PHE 728.A O no hydrogen 3.150 N/A ILE 732.A N PHE 728.A O no hydrogen 2.870 N/A GLN 733.A N VAL 729.A O no hydrogen 3.120 N/A GLN 734.A N VAL 731.A O no hydrogen 2.931 N/A GLY 735.A N HIS 730.A O no hydrogen 3.293 N/A ASN 739.A N GLN 733.A OE1 no hydrogen 3.486 N/A ASN 739.A ND2 GLN 734.A OE1 no hydrogen 3.297 N/A LYS 742.A N ASN 739.A OD1 no hydrogen 2.981 N/A PHE 743.A N ASN 739.A O no hydrogen 3.014 N/A GLU 744.A N SER 740.A O no hydrogen 3.286 N/A ARG 745.A N GLU 741.A O no hydrogen 3.465 N/A PHE 746.A N LYS 742.A O no hydrogen 3.260 N/A ARG 747.A N PHE 743.A O no hydrogen 2.988 N/A ARG 747.A NE GLU 744.A OE1 no hydrogen 2.608 N/A ARG 747.A NH1 ASN 810.A OD1 no hydrogen 2.124 N/A ARG 747.A NH2 GLU 744.A OE2 no hydrogen 3.479 N/A GLY 748.A N GLU 744.A O no hydrogen 2.819 N/A TYR 749.A N ARG 745.A O no hydrogen 3.274 N/A CYS 750.A N PHE 746.A O no hydrogen 3.364 N/A CYS 750.A SG PHE 746.A O no hydrogen 3.459 N/A GLU 751.A N ARG 747.A O no hydrogen 2.956 N/A ARG 752.A N GLY 748.A O no hydrogen 2.676 N/A ARG 752.A NH2 GLU 605.A O no hydrogen 3.303 N/A ALA 753.A N TYR 749.A O no hydrogen 2.816 N/A TYR 754.A N CYS 750.A O no hydrogen 2.911 N/A TYR 754.A OH SER 791.A O no hydrogen 3.135 N/A THR 755.A N GLU 751.A O no hydrogen 2.929 N/A THR 755.A OG1 GLU 751.A O no hydrogen 2.605 N/A THR 755.A OG1 ARG 752.A O no hydrogen 2.988 N/A ILE 756.A N ARG 752.A O no hydrogen 2.805 N/A LEU 757.A N ALA 753.A O no hydrogen 3.226 N/A ARG 758.A N TYR 754.A O no hydrogen 3.072 N/A ARG 759.A NE GLU 798.A OE1 no hydrogen 3.375 N/A HIS 760.A N LEU 757.A O no hydrogen 3.104 N/A HIS 760.A NE2 GLU 605.A OE1 no hydrogen 3.190 N/A GLY 761.A N ARG 758.A O no hydrogen 3.300 N/A PHE 764.A N HIS 760.A O no hydrogen 3.403 N/A LEU 765.A N GLY 761.A O no hydrogen 3.096 N/A HIS 766.A N LEU 762.A O no hydrogen 2.772 N/A HIS 766.A ND1 LEU 378.A O no hydrogen 2.846 N/A LEU 767.A N LEU 763.A O no hydrogen 2.817 N/A PHE 768.A N PHE 764.A O no hydrogen 2.795 N/A ALA 769.A N LEU 765.A O no hydrogen 3.054 N/A ALA 769.A N HIS 766.A O no hydrogen 3.182 N/A LEU 770.A N HIS 766.A O no hydrogen 3.391 N/A MET 771.A N LEU 767.A O no hydrogen 3.363 N/A ARG 772.A N ALA 769.A O no hydrogen 3.265 N/A ALA 773.A N LEU 770.A O no hydrogen 3.265 N/A ALA 774.A N MET 771.A O no hydrogen 2.642 N/A LEU 779.A N LEU 776.A O no hydrogen 2.635 N/A SER 780.A N ASP 784.A OD1 no hydrogen 3.337 N/A CYS 781.A N ASP 784.A OD1 no hydrogen 3.311 N/A CYS 781.A SG SER 782.A OG no hydrogen 3.533 N/A ASP 784.A N CYS 781.A O no hydrogen 3.214 N/A GLN 786.A NE2 ASP 790.A OD1 no hydrogen 2.780 N/A TYR 787.A N ASP 784.A O no hydrogen 3.319 N/A TYR 787.A OH VAL 720.A O no hydrogen 2.968 N/A LEU 788.A N ILE 785.A O no hydrogen 2.688 N/A LYS 789.A N GLN 786.A O no hydrogen 3.132 N/A LYS 789.A NZ GLN 786.A OE1 no hydrogen 3.506 N/A ASP 790.A N GLN 786.A O no hydrogen 3.054 N/A SER 791.A OG TYR 686.A O no hydrogen 3.494 N/A SER 791.A OG VAL 687.A O no hydrogen 2.934 N/A SER 791.A OG TYR 787.A O no hydrogen 3.126 N/A LEU 792.A N LEU 788.A O no hydrogen 3.187 N/A LEU 794.A N LYS 789.A O no hydrogen 3.219 N/A LYS 796.A N ALA 793.A O no hydrogen 3.347 N/A LYS 796.A NZ GLU 800.A OE1 no hydrogen 2.699 N/A THR 797.A N GLU 800.A OE2 no hydrogen 3.452 N/A GLU 800.A N THR 797.A OG1 no hydrogen 2.878 N/A ALA 801.A N THR 797.A O no hydrogen 2.546 N/A LEU 802.A N GLU 798.A O no hydrogen 3.440 N/A LYS 803.A N GLU 800.A O no hydrogen 2.944 N/A HIS 804.A N GLU 800.A O no hydrogen 3.302 N/A PHE 805.A N ALA 801.A O no hydrogen 2.838 N/A ARG 806.A N LEU 802.A O no hydrogen 3.124 N/A VAL 807.A N LYS 803.A O no hydrogen 3.245 N/A VAL 807.A N HIS 804.A O no hydrogen 3.131 N/A LYS 808.A N HIS 804.A O no hydrogen 3.153 N/A PHE 809.A N PHE 805.A O no hydrogen 3.042 N/A ASN 810.A N ARG 806.A O no hydrogen 3.367 N/A GLU 811.A N VAL 807.A O no hydrogen 3.115 N/A ALA 812.A N PHE 809.A O no hydrogen 2.560 N/A LEU 813.A N PHE 809.A O no hydrogen 3.221 N/A ARG 814.A N ASN 810.A O no hydrogen 3.404 N/A SER 816.A N LEU 813.A O no hydrogen 2.959 N/A