Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aof_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 5.A OG no hydrogen 3.298 N/A SER 2.A N SER 5.A OG no hydrogen 2.739 N/A SER 2.A OG MET 1.A O no hydrogen 3.184 N/A SER 5.A OG SER 2.A O no hydrogen 3.150 N/A GLN 6.A N GLU 3.A O no hydrogen 3.350 N/A GLN 11.A N PHE 8.A O no hydrogen 3.234 N/A LEU 12.A N PHE 8.A O no hydrogen 3.240 N/A THR 13.A N GLN 9.A O no hydrogen 3.437 N/A THR 13.A OG1 GLN 9.A O no hydrogen 3.395 N/A THR 13.A OG1 ASP 19.A OD1 no hydrogen 3.182 N/A LEU 15.A N GLN 11.A O no hydrogen 2.977 N/A LEU 15.A N LEU 12.A O no hydrogen 2.699 N/A ILE 16.A N LEU 12.A O no hydrogen 2.772 N/A ILE 16.A N THR 13.A O no hydrogen 2.694 N/A GLY 17.A N THR 13.A O no hydrogen 2.799 N/A THR 21.A N ASP 19.A OD2 no hydrogen 3.162 N/A THR 21.A OG1 ASP 19.A OD1 no hydrogen 3.338 N/A THR 21.A OG1 ASP 19.A OD2 no hydrogen 2.622 N/A ASP 22.A N ASP 19.A O no hydrogen 3.187 N/A SER 24.A OG VAL 23.A O no hydrogen 2.831 N/A ASN 25.A ND2 THR 285.A O no hydrogen 3.055 N/A ASN 25.A ND2 GLN 469.A OE1 no hydrogen 2.654 N/A GLU 30.A N ASP 28.A OD2 no hydrogen 3.001 N/A PHE 33.A N ASP 29.A O no hydrogen 3.392 N/A THR 34.A N GLU 30.A O no hydrogen 2.828 N/A THR 34.A N LEU 31.A O no hydrogen 3.367 N/A THR 34.A OG1 GLU 30.A O no hydrogen 2.349 N/A THR 34.A OG1 LEU 31.A O no hydrogen 3.466 N/A ARG 35.A N LEU 31.A O no hydrogen 3.386 N/A ARG 36.A N GLU 32.A O no hydrogen 2.676 N/A ARG 36.A NH1 GLU 32.A OE2 no hydrogen 2.921 N/A GLY 37.A N PHE 33.A O no hydrogen 3.152 N/A LEU 38.A N ARG 35.A O no hydrogen 3.105 N/A VAL 39.A N ARG 36.A O no hydrogen 2.830 N/A ARG 42.A N LEU 38.A O no hydrogen 3.044 N/A MET 43.A N VAL 39.A O no hydrogen 2.934 N/A ALA 44.A N THR 40.A O no hydrogen 2.776 N/A GLU 45.A N ARG 42.A O no hydrogen 2.908 N/A VAL 46.A N ARG 42.A O no hydrogen 2.950 N/A ALA 47.A N MET 43.A O no hydrogen 3.474 N/A SER 48.A N ALA 44.A O no hydrogen 3.443 N/A SER 48.A OG ALA 44.A O no hydrogen 3.053 N/A ARG 49.A N GLU 45.A O no hydrogen 2.989 N/A ARG 49.A NH1 LEU 444.A O no hydrogen 2.852 N/A LEU 53.A N ASP 50.A OD1 no hydrogen 2.708 N/A TYR 54.A N ASP 50.A O no hydrogen 2.777 N/A TYR 54.A OH CYS 482.A O no hydrogen 2.916 N/A ALA 55.A N PRO 51.A O no hydrogen 3.088 N/A MET 56.A N LYS 52.A O no hydrogen 3.180 N/A HIS 57.A N LEU 53.A O no hydrogen 3.144 N/A HIS 57.A ND1 ALA 55.A O no hydrogen 3.088 N/A HIS 57.A NE2 ASP 123.A O no hydrogen 3.088 N/A THR 61.A N ASN 134.A O no hydrogen 2.854 N/A THR 61.A OG1 GLU 410.A OE1 no hydrogen 3.404 N/A SER 62.A N GLU 410.A OE2 no hydrogen 3.260 N/A LYS 63.A NZ THR 61.A OG1 no hydrogen 2.869 N/A LYS 63.A NZ ASP 413.A OD1 no hydrogen 2.951 N/A LYS 63.A NZ ASP 413.A OD2 no hydrogen 3.437 N/A LEU 69.A N PRO 66.A O no hydrogen 3.110 N/A TRP 70.A N PRO 66.A O no hydrogen 2.698 N/A LYS 71.A N GLU 67.A O no hydrogen 3.453 N/A LYS 71.A NZ TYR 68.A O no hydrogen 3.493 N/A LYS 72.A NZ LEU 142.A O no hydrogen 2.658 N/A LYS 72.A NZ LYS 143.A O no hydrogen 3.525 N/A ASN 76.A N ILE 73.A O no hydrogen 3.281 N/A CYS 77.A SG ASN 75.A O no hydrogen 3.677 N/A ILE 78.A N VAL 93.A O no hydrogen 2.743 N/A ILE 80.A N ILE 91.A O no hydrogen 2.937 N/A VAL 81.A N ILE 148.A O no hydrogen 2.871 N/A ILE 82.A N GLN 89.A O no hydrogen 3.222 N/A HIS 83.A N VAL 150.A O no hydrogen 2.668 N/A HIS 83.A ND1 VAL 150.A O no hydrogen 2.676 N/A ARG 84.A N THR 87.A O no hydrogen 3.198 N/A SER 88.A OG THR 86.A O no hydrogen 3.009 N/A ILE 91.A N ILE 80.A O no hydrogen 2.882 N/A VAL 93.A N ILE 78.A O no hydrogen 2.658 N/A SER 94.A N ASP 97.A OD2 no hydrogen 3.274 N/A ASP 96.A N SER 94.A O no hydrogen 2.555 N/A ASP 97.A N SER 94.A O no hydrogen 2.777 N/A ILE 102.A N THR 98.A O no hydrogen 2.890 N/A GLN 104.A N ALA 101.A O no hydrogen 2.752 N/A PHE 106.A N LEU 103.A O no hydrogen 3.183 N/A PHE 107.A N LEU 103.A O no hydrogen 2.764 N/A ARG 118.A NE VAL 119.A O no hydrogen 3.435 N/A ARG 118.A NE ARG 122.A O no hydrogen 3.255 N/A ARG 118.A NH1 ASP 153.A OD2 no hydrogen 2.962 N/A ARG 118.A NH2 VAL 119.A O no hydrogen 3.379 N/A ARG 118.A NH2 ASP 577.A OD1 no hydrogen 3.428 N/A ARG 118.A NH2 THR 579.A OG1 no hydrogen 2.722 N/A CYS 120.A N HIS 149.A O no hydrogen 2.933 N/A ARG 122.A N VAL 119.A O no hydrogen 3.115 N/A ARG 122.A NH1 ASP 546.A OD1 no hydrogen 2.814 N/A ARG 122.A NH2 ASP 546.A OD1 no hydrogen 3.374 N/A ASP 123.A N GLY 548.A O no hydrogen 2.879 N/A LEU 126.A N LEU 117.A O no hydrogen 3.193 N/A ILE 132.A N ASP 97.A O no hydrogen 3.439 N/A ASN 134.A N PRO 131.A O no hydrogen 2.791 N/A PHE 135.A N ILE 132.A O no hydrogen 2.906 N/A GLN 136.A N TRP 59.A O no hydrogen 2.653 N/A ARG 139.A N PHE 135.A O no hydrogen 2.801 N/A ARG 139.A NE LYS 133.A O no hydrogen 3.044 N/A ARG 139.A NH1 PRO 64.A O no hydrogen 3.306 N/A ARG 139.A NH2 LYS 63.A O no hydrogen 2.821 N/A HIS 140.A N GLN 136.A O no hydrogen 3.375 N/A CYS 141.A N TRP 137.A O no hydrogen 2.960 N/A CYS 141.A SG TRP 137.A O no hydrogen 2.758 N/A LEU 142.A N VAL 138.A O no hydrogen 2.812 N/A LYS 143.A N ARG 139.A O no hydrogen 2.631 N/A LYS 143.A NZ HIS 140.A ND1 no hydrogen 3.446 N/A ASN 144.A ND2 HIS 140.A O no hydrogen 3.117 N/A GLU 146.A N CYS 141.A O no hydrogen 2.748 N/A VAL 150.A N VAL 81.A O no hydrogen 2.736 N/A ASP 153.A N VAL 116.A O no hydrogen 3.263 N/A ALA 159.A N ASP 157.A OD1 no hydrogen 3.211 N/A LEU 160.A N ASP 157.A O no hydrogen 3.506 N/A ARG 164.A NH2 GLU 4.A O no hydrogen 3.214 N/A ARG 164.A NH2 GLU 4.A OE2 no hydrogen 2.771 N/A LYS 165.A NZ GLU 162.A OE2 no hydrogen 3.102 N/A GLU 166.A N ARG 164.A O no hydrogen 3.640 N/A CYS 167.A N ASN 301.A O no hydrogen 2.983 N/A LYS 174.A N LEU 298.A O no hydrogen 3.069 N/A ILE 175.A N VAL 222.A O no hydrogen 2.810 N/A ARG 176.A N SER 296.A O no hydrogen 2.806 N/A ILE 180.A N GLU 216.A O no hydrogen 3.407 N/A PHE 192.A N TYR 244.A O no hydrogen 3.258 N/A ALA 195.A N ARG 207.A O no hydrogen 3.262 N/A ASN 196.A N ASN 240.A O no hydrogen 3.042 N/A ASN 196.A ND2 GLU 194.A OE1 no hydrogen 3.126 N/A ASN 196.A ND2 ASN 240.A O no hydrogen 3.362 N/A GLN 198.A N LEU 238.A O no hydrogen 2.855 N/A GLN 201.A N GLN 198.A OE1 no hydrogen 2.884 N/A CYS 205.A SG LEU 204.A O no hydrogen 3.198 N/A CYS 205.A SG SER 227.A OG no hydrogen 2.657 N/A ARG 207.A N ALA 195.A O no hydrogen 3.104 N/A ARG 207.A NE GLU 225.A O no hydrogen 2.691 N/A PHE 214.A N LEU 189.A O no hydrogen 3.091 N/A TRP 220.A NE1 SER 210.A O no hydrogen 2.677 N/A TRP 220.A NE1 SER 210.A OG no hydrogen 3.164 N/A ASN 221.A ND2 ASN 221.A O no hydrogen 2.745 N/A VAL 222.A N ILE 175.A O no hydrogen 2.871 N/A PHE 226.A N PHE 171.A O no hydrogen 2.641 N/A LEU 238.A N GLN 198.A O no hydrogen 2.846 N/A LEU 239.A N LEU 252.A O no hydrogen 2.576 N/A ASN 240.A N ASN 196.A O no hydrogen 3.111 N/A ASN 240.A ND2 ASN 251.A OD1 no hydrogen 2.901 N/A LEU 241.A N VAL 250.A O no hydrogen 2.809 N/A GLN 242.A N GLU 194.A O no hydrogen 3.168 N/A ILE 243.A N TYR 248.A O no hydrogen 3.024 N/A TYR 244.A N PHE 192.A O no hydrogen 2.873 N/A CYS 245.A SG THR 190.A O no hydrogen 3.394 N/A TYR 248.A N ILE 243.A O no hydrogen 3.284 N/A TYR 249.A N TRP 271.A O no hydrogen 3.159 N/A VAL 250.A N LEU 241.A O no hydrogen 2.832 N/A ASN 251.A ND2 LYS 280.A O no hydrogen 3.218 N/A ASN 251.A ND2 THR 282.A O no hydrogen 3.535 N/A LEU 252.A N LEU 239.A O no hydrogen 2.878 N/A LEU 254.A N ALA 237.A O no hydrogen 2.761 N/A ASP 256.A N LEU 260.A O no hydrogen 2.944 N/A ARG 258.A NH1 ASP 29.A OD1 no hydrogen 3.138 N/A ARG 258.A NH2 ASP 29.A OD1 no hydrogen 2.867 N/A ARG 258.A NH2 ASP 29.A OD2 no hydrogen 2.820 N/A ARG 262.A N LEU 254.A O no hydrogen 3.233 N/A ARG 262.A NH1 ILE 255.A O no hydrogen 3.019 N/A ARG 263.A NH1 ASP 300.A OD1 no hydrogen 2.966 N/A GLY 264.A N LEU 299.A O no hydrogen 2.874 N/A TYR 266.A N ILE 297.A O no hydrogen 3.372 N/A TYR 266.A OH ARG 263.A O no hydrogen 2.664 N/A HIS 269.A ND1 SER 292.A OG no hydrogen 2.736 N/A MET 270.A N MET 293.A O no hydrogen 2.745 N/A TRP 271.A N TYR 249.A O no hydrogen 3.021 N/A TRP 271.A NE1 ALA 284.A O no hydrogen 3.043 N/A PHE 276.A N SER 787.A OG no hydrogen 2.705 N/A ALA 278.A N MET 779.A O no hydrogen 3.087 N/A LYS 280.A N ASN 277.A O no hydrogen 3.273 N/A LEU 281.A N ALA 278.A O no hydrogen 2.878 N/A THR 282.A OG1 ALA 284.A O no hydrogen 3.134 N/A THR 282.A OG1 HIS 466.A O no hydrogen 3.375 N/A ALA 284.A N THR 282.A OG1 no hydrogen 2.751 N/A THR 285.A OG1 ASN 25.A OD1 no hydrogen 2.746 N/A ASN 286.A N HIS 269.A O no hydrogen 3.459 N/A ASN 286.A ND2 MET 270.A O no hydrogen 3.084 N/A ASP 288.A N ASN 286.A OD1 no hydrogen 3.388 N/A GLU 290.A N ASP 288.A OD1 no hydrogen 2.750 N/A SER 292.A OG HIS 269.A ND1 no hydrogen 2.736 N/A SER 292.A OG ASP 288.A O no hydrogen 2.862 N/A SER 294.A N ASP 179.A O no hydrogen 3.240 N/A SER 294.A OG ASP 179.A O no hydrogen 3.391 N/A SER 296.A N GLY 177.A O no hydrogen 3.191 N/A ILE 297.A N TYR 266.A O no hydrogen 3.212 N/A LEU 298.A N LYS 174.A O no hydrogen 2.847 N/A LEU 299.A N GLY 264.A O no hydrogen 3.093 N/A ARG 310.A N PRO 306.A O no hydrogen 3.325 N/A LYS 311.A N ASN 307.A O no hydrogen 2.935 N/A LYS 311.A NZ ASN 307.A OD1 no hydrogen 2.816 N/A GLU 314.A N ARG 310.A O no hydrogen 3.145 N/A ALA 315.A N LYS 311.A O no hydrogen 3.378 N/A ILE 317.A N LEU 313.A O no hydrogen 2.786 N/A ALA 318.A N GLU 314.A O no hydrogen 2.761 N/A THR 319.A OG1 ILE 316.A O no hydrogen 2.608 N/A THR 326.A OG1 ASP 329.A OD1 no hydrogen 2.727 N/A LYS 330.A N THR 326.A O no hydrogen 2.657 N/A LYS 330.A NZ SER 352.A O no hydrogen 3.453 N/A GLU 331.A N ALA 327.A O no hydrogen 3.258 N/A LEU 333.A N ASP 329.A O no hydrogen 3.377 N/A TRP 334.A N LYS 330.A O no hydrogen 3.102 N/A HIS 335.A N GLU 331.A O no hydrogen 2.849 N/A PHE 336.A N LEU 332.A O no hydrogen 3.186 N/A ARG 337.A NE TRP 334.A O no hydrogen 2.537 N/A SER 340.A N PHE 336.A O no hydrogen 3.063 N/A SER 340.A N ARG 337.A O no hydrogen 2.985 N/A SER 340.A OG LEU 333.A O no hydrogen 3.323 N/A SER 340.A OG ARG 337.A O no hydrogen 3.155 N/A LEU 341.A N TYR 338.A O no hydrogen 3.224 N/A LYS 342.A NZ GLU 304.A OE2 no hydrogen 3.343 N/A LYS 342.A NZ GLU 339.A OE1 no hydrogen 2.720 N/A LYS 342.A NZ GLU 339.A OE2 no hydrogen 3.517 N/A TYR 347.A N PRO 344.A O no hydrogen 3.148 N/A TYR 347.A OH LEU 341.A O no hydrogen 3.370 N/A LYS 349.A NZ THR 319.A O no hydrogen 2.471 N/A LYS 349.A NZ ASP 320.A O no hydrogen 2.789 N/A LEU 350.A N TYR 347.A O no hydrogen 2.922 N/A PHE 351.A N TYR 347.A O no hydrogen 3.154 N/A SER 352.A N PRO 348.A O no hydrogen 3.020 N/A SER 352.A OG PRO 348.A O no hydrogen 2.317 N/A SER 353.A OG LYS 349.A O no hydrogen 2.332 N/A SER 353.A OG LEU 350.A O no hydrogen 3.351 N/A VAL 354.A N PHE 351.A O no hydrogen 3.278 N/A GLN 359.A N ASP 232.A OD2 no hydrogen 2.756 N/A GLU 360.A N GLU 360.A OE1 no hydrogen 2.574 N/A LYS 364.A N GLU 360.A O no hydrogen 3.108 N/A THR 365.A N ILE 361.A O no hydrogen 2.718 N/A THR 365.A OG1 ILE 361.A O no hydrogen 2.519 N/A TYR 366.A N ALA 363.A O no hydrogen 3.173 N/A TYR 366.A OH ASP 395.A OD1 no hydrogen 3.188 N/A TYR 366.A OH ASP 395.A OD2 no hydrogen 2.731 N/A GLN 367.A N ALA 363.A O no hydrogen 3.038 N/A LEU 369.A N TYR 366.A O no hydrogen 3.041 N/A ALA 370.A N TYR 366.A O no hydrogen 2.850 N/A TRP 375.A NE1 ILE 401.A O no hydrogen 2.875 N/A SER 378.A OG TRP 375.A O no hydrogen 2.567 N/A LEU 384.A N ASP 381.A OD1 no hydrogen 2.984 N/A THR 385.A N VAL 382.A O no hydrogen 3.047 N/A THR 385.A OG1 ASP 381.A O no hydrogen 2.456 N/A THR 385.A OG1 VAL 382.A O no hydrogen 3.153 N/A MET 386.A N VAL 382.A O no hydrogen 2.873 N/A GLN 387.A N GLY 383.A O no hydrogen 2.827 N/A LEU 388.A N THR 385.A O no hydrogen 2.860 N/A LEU 389.A N MET 386.A O no hydrogen 2.540 N/A SER 394.A OG GLY 236.A O no hydrogen 2.586 N/A ASN 397.A N ASP 395.A OD1 no hydrogen 2.683 N/A ASN 397.A ND2 TYR 366.A OH no hydrogen 2.929 N/A ARG 399.A N ASP 395.A O no hydrogen 3.191 N/A ARG 399.A NH1 ASP 390.A O no hydrogen 2.637 N/A ARG 399.A NH1 PHE 393.A O no hydrogen 2.935 N/A ARG 399.A NH2 ASP 390.A O no hydrogen 3.518 N/A ILE 401.A N VAL 398.A O no hydrogen 2.592 N/A VAL 403.A N ARG 399.A O no hydrogen 3.413 N/A GLN 404.A N ALA 400.A O no hydrogen 3.176 N/A GLN 404.A NE2 ASP 376.A OD1 no hydrogen 3.184 N/A LYS 405.A N ALA 402.A O no hydrogen 2.529 N/A LYS 405.A NZ SER 378.A O no hydrogen 2.862 N/A LYS 405.A NZ SER 378.A OG no hydrogen 3.280 N/A LEU 406.A N ALA 402.A O no hydrogen 2.951 N/A GLU 407.A N VAL 403.A O no hydrogen 2.983 N/A SER 408.A OG LYS 405.A O no hydrogen 3.334 N/A ASP 413.A N GLU 410.A O no hydrogen 2.678 N/A LEU 415.A N ASP 411.A O no hydrogen 2.790 N/A HIS 416.A ND1 ASP 412.A O no hydrogen 2.977 N/A TYR 417.A N ASP 413.A O no hydrogen 3.293 N/A TYR 417.A N VAL 414.A O no hydrogen 2.850 N/A LEU 418.A N LEU 415.A O no hydrogen 3.473 N/A LEU 421.A N TYR 417.A O no hydrogen 3.343 N/A VAL 422.A N LEU 418.A O no hydrogen 3.013 N/A GLN 423.A N LEU 419.A O no hydrogen 2.758 N/A LYS 426.A N GLN 423.A O no hydrogen 3.240 N/A LYS 426.A NZ GLN 423.A OE1 no hydrogen 3.010 N/A LYS 426.A NZ THR 780.A O no hydrogen 3.189 N/A PHE 427.A N ALA 424.A O no hydrogen 3.296 N/A TYR 430.A OH ILE 255.A O no hydrogen 2.952 N/A TYR 430.A OH ASP 256.A O no hydrogen 3.173 N/A SER 433.A OG HIS 431.A O no hydrogen 3.527 N/A ALA 436.A N SER 433.A OG no hydrogen 3.058 N/A ARG 437.A N SER 433.A O no hydrogen 2.785 N/A ARG 437.A NE ASP 432.A OD1 no hydrogen 3.063 N/A ARG 437.A NH2 ASP 432.A OD1 no hydrogen 3.075 N/A ARG 437.A NH2 ASP 432.A OD2 no hydrogen 2.719 N/A PHE 438.A N ALA 434.A O no hydrogen 2.975 N/A LEU 439.A N LEU 435.A O no hydrogen 2.772 N/A LEU 440.A N ALA 436.A O no hydrogen 3.410 N/A LYS 441.A N ARG 437.A O no hydrogen 2.661 N/A ARG 442.A N PHE 438.A O no hydrogen 3.134 N/A ARG 442.A NH2 ASP 411.A OD1 no hydrogen 2.810 N/A GLY 443.A N LEU 439.A O no hydrogen 3.074 N/A LEU 444.A N LYS 441.A O no hydrogen 2.869 N/A ARG 445.A N LYS 441.A O no hydrogen 2.991 N/A ARG 445.A NE GLU 45.A OE2 no hydrogen 2.556 N/A ARG 445.A NH2 GLU 45.A OE1 no hydrogen 2.978 N/A ASN 446.A N ARG 442.A O no hydrogen 3.357 N/A LYS 447.A NZ ASP 161.A OD1 no hydrogen 2.976 N/A ILE 449.A N ASN 446.A OD1 no hydrogen 2.780 N/A HIS 451.A N LYS 447.A O no hydrogen 3.084 N/A HIS 451.A NE2 PRO 544.A O no hydrogen 2.609 N/A LEU 453.A N ILE 449.A O no hydrogen 2.677 N/A PHE 454.A N GLY 450.A O no hydrogen 3.243 N/A TRP 455.A N HIS 451.A O no hydrogen 3.425 N/A PHE 456.A N PHE 452.A O no hydrogen 3.026 N/A LEU 457.A N LEU 453.A O no hydrogen 2.871 N/A ARG 458.A N PHE 454.A O no hydrogen 2.675 N/A ARG 458.A NE LEU 15.A O no hydrogen 2.997 N/A SER 459.A N TRP 455.A O no hydrogen 2.677 N/A SER 459.A OG GLU 460.A OE2 no hydrogen 2.789 N/A GLU 460.A N LEU 457.A O no hydrogen 2.960 N/A ILE 461.A N LEU 457.A O no hydrogen 2.870 N/A TYR 467.A N SER 464.A O no hydrogen 3.335 N/A GLN 468.A NE2 ILE 461.A O no hydrogen 2.986 N/A GLN 469.A NE2 ASN 25.A O no hydrogen 3.191 N/A ARG 470.A NE HIS 431.A ND1 no hydrogen 3.095 N/A ARG 470.A NH1 VAL 425.A O no hydrogen 2.523 N/A ARG 470.A NH1 GLU 428.A O no hydrogen 2.756 N/A ARG 470.A NH2 SER 283.A OG no hydrogen 3.353 N/A PHE 471.A N TYR 467.A O no hydrogen 2.787 N/A ALA 472.A N GLN 468.A O no hydrogen 2.817 N/A VAL 473.A N GLN 469.A O no hydrogen 2.921 N/A ILE 474.A N ARG 470.A O no hydrogen 3.091 N/A LEU 475.A N PHE 471.A O no hydrogen 2.734 N/A GLU 476.A N ALA 472.A O no hydrogen 3.002 N/A ALA 477.A N VAL 473.A O no hydrogen 3.070 N/A TYR 478.A N ILE 474.A O no hydrogen 3.296 N/A TYR 478.A OH GLY 443.A O no hydrogen 3.177 N/A LEU 479.A N LEU 475.A O no hydrogen 2.785 N/A ARG 480.A N GLU 476.A O no hydrogen 3.194 N/A ARG 480.A NE GLU 476.A OE2 no hydrogen 2.845 N/A GLY 481.A N TYR 478.A O no hydrogen 3.168 N/A CYS 482.A SG LEU 479.A O no hydrogen 3.934 N/A CYS 482.A SG GLY 483.A O no hydrogen 3.942 N/A ALA 485.A N LEU 160.A O no hydrogen 3.273 N/A LEU 487.A N GLY 483.A O no hydrogen 2.820 N/A HIS 488.A N THR 484.A O no hydrogen 2.556 N/A ASP 489.A N MET 486.A O no hydrogen 2.957 N/A THR 491.A N LEU 487.A O no hydrogen 3.335 N/A THR 491.A OG1 LEU 487.A O no hydrogen 2.843 N/A GLN 493.A N ASP 489.A O no hydrogen 3.117 N/A GLN 493.A NE2 ASP 489.A O no hydrogen 2.570 N/A VAL 494.A N PHE 490.A O no hydrogen 2.889 N/A GLN 495.A N THR 491.A O no hydrogen 3.107 N/A GLN 495.A NE2 THR 491.A O no hydrogen 2.914 N/A VAL 496.A N GLN 492.A O no hydrogen 3.147 N/A GLU 498.A N VAL 494.A O no hydrogen 3.407 N/A MET 499.A N GLN 495.A O no hydrogen 2.823 N/A LEU 500.A N VAL 496.A O no hydrogen 2.985 N/A LYS 502.A N GLU 498.A O no hydrogen 3.413 N/A THR 504.A OG1 LEU 500.A O no hydrogen 2.458 N/A LEU 505.A N GLN 501.A O no hydrogen 2.979 N/A ILE 507.A N VAL 503.A O no hydrogen 2.661 N/A LYS 508.A N THR 504.A O no hydrogen 3.056 N/A LYS 508.A NZ LYS 567.A O no hydrogen 3.085 N/A LYS 508.A NZ HIS 592.A O no hydrogen 3.495 N/A SER 509.A OG LEU 505.A O no hydrogen 3.280 N/A SER 509.A OG ASP 506.A O no hydrogen 2.717 N/A VAL 521.A N SER 518.A O no hydrogen 2.825 N/A ILE 522.A N SER 518.A O no hydrogen 3.404 N/A SER 523.A N SER 519.A O no hydrogen 2.713 N/A LEU 525.A N VAL 521.A O no hydrogen 3.212 N/A LYS 526.A N ILE 522.A O no hydrogen 3.212 N/A GLN 527.A N SER 523.A O no hydrogen 3.285 N/A LYS 528.A N GLN 524.A O no hydrogen 2.617 N/A LYS 528.A NZ ASP 506.A OD2 no hydrogen 3.262 N/A LEU 529.A N LEU 525.A O no hydrogen 3.335 N/A ASN 531.A N LYS 528.A O no hydrogen 2.834 N/A LEU 532.A N LEU 529.A O no hydrogen 3.252 N/A SER 535.A OG SER 535.A O no hydrogen 2.562 N/A PHE 541.A N ALA 551.A O no hydrogen 2.631 N/A VAL 543.A N LEU 549.A O no hydrogen 2.666 N/A ASP 546.A N VAL 543.A O no hydrogen 2.686 N/A LEU 549.A N ASP 546.A O no hydrogen 3.001 N/A LYS 550.A NZ ASP 123.A OD1 no hydrogen 2.575 N/A GLY 552.A N LYS 574.A O no hydrogen 2.884 N/A LYS 558.A N ALA 555.A O no hydrogen 3.271 N/A CYS 559.A SG ALA 555.A O no hydrogen 3.316 N/A LYS 560.A N TRP 570.A O no hydrogen 2.797 N/A LYS 566.A NZ ASP 594.A OD1 no hydrogen 2.792 N/A LYS 566.A NZ ASP 594.A OD2 no hydrogen 2.901 N/A LYS 567.A NZ ASP 516.A O no hydrogen 2.738 N/A LYS 567.A NZ ALA 563.A O no hydrogen 2.742 N/A TRP 570.A NE1 GLU 572.A OE2 no hydrogen 2.629 N/A LEU 571.A N ILE 588.A O no hydrogen 3.264 N/A LYS 574.A N ALA 553.A O no hydrogen 3.145 N/A CYS 575.A SG LYS 550.A O no hydrogen 3.651 N/A ALA 576.A N LYS 550.A O no hydrogen 3.088 N/A THR 579.A OG1 ASP 577.A OD1 no hydrogen 2.744 N/A SER 582.A OG GLU 584.A OE2 no hydrogen 2.879 N/A THR 585.A OG1 GLU 572.A OE1 no hydrogen 3.301 N/A ILE 586.A N PHE 573.A O no hydrogen 2.652 N/A ILE 588.A N LEU 571.A O no hydrogen 2.664 N/A ILE 589.A N ILE 637.A O no hydrogen 2.984 N/A PHE 590.A N LEU 569.A O no hydrogen 3.103 N/A GLY 593.A N LYS 633.A O no hydrogen 2.578 N/A ASP 594.A N LYS 633.A O no hydrogen 3.238 N/A ARG 597.A NH1 GLU 460.A OE1 no hydrogen 2.465 N/A MET 600.A N LEU 596.A O no hydrogen 2.938 N/A LEU 601.A N ARG 597.A O no hydrogen 3.342 N/A LEU 601.A N GLN 598.A O no hydrogen 3.120 N/A ILE 602.A N GLN 598.A O no hydrogen 3.183 N/A ILE 602.A N ASP 599.A O no hydrogen 2.925 N/A LEU 603.A N ASP 599.A O no hydrogen 3.244 N/A GLN 604.A N LEU 601.A O no hydrogen 3.121 N/A GLN 604.A NE2 HIS 416.A O no hydrogen 3.343 N/A ILE 605.A N LEU 601.A O no hydrogen 3.279 N/A LEU 606.A N ILE 602.A O no hydrogen 3.169 N/A ARG 607.A N LEU 603.A O no hydrogen 2.985 N/A ARG 607.A NH1 PRO 624.A O no hydrogen 3.341 N/A MET 609.A N ILE 605.A O no hydrogen 3.175 N/A GLU 610.A N LEU 606.A O no hydrogen 3.133 N/A SER 611.A N ARG 607.A O no hydrogen 2.933 N/A SER 611.A OG ILE 608.A O no hydrogen 3.401 N/A ILE 612.A N ILE 608.A O no hydrogen 2.840 N/A TRP 613.A N MET 609.A O no hydrogen 3.201 N/A TRP 613.A NE1 ALA 759.A O no hydrogen 3.048 N/A GLU 614.A N GLU 610.A O no hydrogen 3.100 N/A THR 615.A N ILE 612.A O no hydrogen 3.101 N/A THR 615.A OG1 ILE 612.A O no hydrogen 2.875 N/A THR 615.A OG1 GLU 616.A OE1 no hydrogen 2.486 N/A SER 617.A N GLU 614.A O no hydrogen 2.990 N/A LEU 618.A N TRP 613.A O no hydrogen 2.739 N/A LEU 620.A N GLU 610.A OE2 no hydrogen 3.003 N/A CYS 621.A N GLU 610.A OE2 no hydrogen 3.080 N/A CYS 621.A SG ASP 619.A OD1 no hydrogen 3.267 N/A GLY 626.A N GLU 638.A OE1 no hydrogen 2.551 N/A ILE 628.A N MET 636.A O no hydrogen 3.238 N/A SER 629.A OG GLY 631.A O no hydrogen 3.179 N/A GLY 631.A N ILE 634.A O no hydrogen 3.367 N/A ILE 634.A N ASP 632.A O no hydrogen 2.187 N/A MET 636.A N ILE 628.A O no hydrogen 3.302 N/A ILE 637.A N ILE 589.A O no hydrogen 2.917 N/A GLU 638.A N GLY 626.A O no hydrogen 2.831 N/A THR 644.A N ILE 712.A O no hydrogen 2.854 N/A ILE 646.A N ILE 710.A O no hydrogen 2.661 N/A GLN 650.A NE2 LYS 661.A O no hydrogen 3.322 N/A GLN 651.A N ALA 647.A O no hydrogen 3.085 N/A SER 652.A N ILE 649.A O no hydrogen 2.818 N/A SER 652.A OG LYS 648.A O no hydrogen 2.359 N/A THR 653.A N ILE 649.A O no hydrogen 3.219 N/A VAL 654.A N GLN 650.A O no hydrogen 3.144 N/A TRP 668.A N VAL 664.A O no hydrogen 3.456 N/A LYS 670.A N ASN 666.A O no hydrogen 3.221 N/A GLU 671.A N HIS 667.A O no hydrogen 2.588 N/A LYS 672.A N LEU 669.A O no hydrogen 2.875 N/A SER 673.A OG LEU 669.A O no hydrogen 3.368 N/A LYS 678.A N THR 675.A OG1 no hydrogen 3.064 N/A GLN 680.A N GLU 677.A O no hydrogen 2.611 N/A ALA 682.A N LYS 678.A O no hydrogen 3.064 N/A VAL 683.A N PHE 679.A O no hydrogen 3.354 N/A GLU 684.A N GLN 680.A O no hydrogen 2.784 N/A PHE 686.A N ALA 682.A O no hydrogen 2.766 N/A VAL 687.A N VAL 683.A O no hydrogen 3.217 N/A SER 689.A N ARG 685.A O no hydrogen 2.911 N/A SER 689.A OG ARG 685.A O no hydrogen 2.859 N/A SER 689.A OG PHE 686.A O no hydrogen 2.675 N/A CYS 690.A N PHE 686.A O no hydrogen 2.685 N/A ALA 691.A N VAL 687.A O no hydrogen 3.232 N/A CYS 694.A SG CYS 690.A O no hydrogen 3.154 N/A VAL 695.A N ALA 691.A O no hydrogen 3.404 N/A ALA 696.A N GLY 692.A O no hydrogen 2.973 N/A THR 697.A OG1 ILE 702.A O no hydrogen 2.911 N/A PHE 698.A N CYS 694.A O no hydrogen 2.622 N/A VAL 699.A N VAL 695.A O no hydrogen 2.782 N/A LEU 700.A N ALA 696.A O no hydrogen 2.968 N/A GLY 701.A N PHE 698.A O no hydrogen 2.808 N/A ILE 702.A N THR 697.A O no hydrogen 2.837 N/A ARG 705.A NE HIS 720.A ND1 no hydrogen 3.091 N/A ARG 705.A NH1 ASP 722.A O no hydrogen 2.502 N/A ARG 705.A NH2 ASP 722.A O no hydrogen 2.914 N/A ASN 709.A N HIS 706.A O no hydrogen 2.815 N/A MET 711.A N PHE 719.A O no hydrogen 3.031 N/A ILE 712.A N THR 644.A O no hydrogen 2.831 N/A THR 713.A N ASN 717.A O no hydrogen 2.812 N/A THR 713.A OG1 ASN 717.A O no hydrogen 3.131 N/A GLU 714.A N ASP 642.A O no hydrogen 2.533 N/A THR 715.A N THR 713.A OG1 no hydrogen 2.795 N/A ASN 717.A N THR 715.A O no hydrogen 2.641 N/A ASN 717.A ND2 CYS 621.A O no hydrogen 3.083 N/A LEU 718.A N SER 689.A OG no hydrogen 3.342 N/A PHE 719.A N MET 711.A O no hydrogen 2.841 N/A ILE 721.A N ASN 709.A O no hydrogen 3.378 N/A PHE 723.A N ASP 599.A OD2 no hydrogen 2.777 N/A GLY 724.A N ASP 722.A OD2 no hydrogen 2.759 N/A VAL 729.A N GLY 703.A O no hydrogen 2.725 N/A THR 731.A OG1 ASP 733.A OD1 no hydrogen 2.611 N/A PHE 734.A N THR 731.A O no hydrogen 2.694 N/A PHE 734.A N ASP 733.A OD1 no hydrogen 3.036 N/A PHE 736.A N PRO 732.A O no hydrogen 2.946 N/A VAL 737.A N ASP 733.A O no hydrogen 2.886 N/A VAL 737.A N PHE 734.A O no hydrogen 2.866 N/A MET 738.A N LEU 735.A O no hydrogen 3.077 N/A THR 740.A N LEU 735.A O no hydrogen 3.130 N/A THR 740.A OG1 LYS 744.A O no hydrogen 2.610 N/A LYS 743.A NZ GLU 816.A OE1 no hydrogen 2.728 N/A LYS 743.A NZ ARG 819.A O no hydrogen 3.184 N/A LYS 743.A NZ ASP 820.A OD1 no hydrogen 3.146 N/A SER 746.A OG MET 738.A O no hydrogen 3.477 N/A GLN 750.A N SER 746.A O no hydrogen 2.735 N/A PHE 752.A N HIS 748.A O no hydrogen 2.989 N/A GLN 753.A N PHE 749.A O no hydrogen 3.202 N/A ILE 755.A N LYS 751.A O no hydrogen 2.866 N/A ILE 755.A N PHE 752.A O no hydrogen 3.096 N/A CYS 756.A N PHE 752.A O no hydrogen 3.203 N/A CYS 756.A SG PHE 752.A O no hydrogen 3.295 N/A VAL 757.A N GLN 753.A O no hydrogen 3.267 N/A LYS 758.A N ASP 754.A O no hydrogen 3.200 N/A ALA 759.A N ILE 755.A O no hydrogen 2.927 N/A TYR 760.A N CYS 756.A O no hydrogen 2.551 N/A TYR 760.A OH ALA 797.A O no hydrogen 2.435 N/A LEU 761.A N VAL 757.A O no hydrogen 2.793 N/A ALA 762.A N LYS 758.A O no hydrogen 3.313 N/A LEU 763.A N ALA 759.A O no hydrogen 2.659 N/A ARG 764.A N TYR 760.A O no hydrogen 2.646 N/A ARG 764.A NE LEU 798.A O no hydrogen 2.920 N/A ARG 764.A NH2 THR 799.A O no hydrogen 2.752 N/A ARG 764.A NH2 LYS 802.A O no hydrogen 2.683 N/A HIS 765.A N LEU 761.A O no hydrogen 2.552 N/A HIS 766.A N ARG 764.A O no hydrogen 2.534 N/A HIS 766.A ND1 HIS 765.A O no hydrogen 2.649 N/A THR 767.A N ARG 764.A O no hydrogen 2.615 N/A THR 767.A OG1 ARG 764.A O no hydrogen 2.521 N/A ILE 771.A N THR 767.A O no hydrogen 3.428 N/A ILE 771.A N ASN 768.A O no hydrogen 3.126 N/A ILE 772.A N ASN 768.A O no hydrogen 3.163 N/A LEU 773.A N LEU 769.A O no hydrogen 3.058 N/A PHE 774.A N LEU 770.A O no hydrogen 3.152 N/A SER 775.A N ILE 771.A O no hydrogen 2.884 N/A SER 775.A OG ILE 771.A O no hydrogen 2.805 N/A MET 777.A N LEU 773.A O no hydrogen 2.669 N/A LEU 778.A N PHE 774.A O no hydrogen 2.761 N/A MET 779.A N SER 775.A O no hydrogen 2.958 N/A THR 780.A N MET 776.A O no hydrogen 2.829 N/A THR 780.A OG1 MET 776.A O no hydrogen 2.563 N/A GLY 781.A N LEU 778.A O no hydrogen 3.140 N/A MET 782.A N LEU 778.A O no hydrogen 2.953 N/A GLU 792.A N LYS 788.A O no hydrogen 2.573 N/A GLU 792.A N GLU 789.A O no hydrogen 3.030 N/A TYR 793.A N GLU 789.A O no hydrogen 3.347 N/A ARG 795.A N GLU 792.A O no hydrogen 2.576 N/A ARG 795.A NH1 ASP 320.A OD2 no hydrogen 3.376 N/A ARG 795.A NH2 GLU 792.A OE2 no hydrogen 2.567 N/A ALA 797.A N TYR 793.A O no hydrogen 3.153 N/A LEU 798.A N ILE 794.A O no hydrogen 2.940 N/A ASN 803.A ND2 GLU 805.A OE2 no hydrogen 2.633 N/A ASP 806.A N ASN 803.A O no hydrogen 2.858 N/A LYS 808.A N GLU 804.A O no hydrogen 2.918 N/A TYR 810.A N ASP 806.A O no hydrogen 2.983 N/A PHE 811.A N ALA 807.A O no hydrogen 3.049 N/A ASP 813.A N LYS 809.A O no hydrogen 2.764 N/A GLN 814.A N TYR 810.A O no hydrogen 2.847 N/A ILE 815.A N PHE 811.A O no hydrogen 3.012 N/A VAL 817.A N ASP 813.A O no hydrogen 2.922 N/A CYS 818.A N GLN 814.A O no hydrogen 3.414 N/A CYS 818.A SG PHE 728.A O no hydrogen 3.675 N/A CYS 818.A SG GLN 814.A O no hydrogen 3.298 N/A ARG 819.A N ILE 815.A O no hydrogen 2.801 N/A ARG 819.A NE GLU 816.A OE2 no hydrogen 2.916 N/A ARG 819.A NH2 GLU 816.A OE2 no hydrogen 2.623 N/A ASP 820.A N CYS 818.A O no hydrogen 2.661 N/A LYS 821.A N CYS 818.A O no hydrogen 3.097 N/A LYS 821.A NZ VAL 817.A O no hydrogen 2.725 N/A TRP 823.A NE1 ASP 662.A OD1 no hydrogen 3.068 N/A THR 824.A OG1 LYS 821.A O no hydrogen 2.451 N/A GLN 826.A NE2 ASN 707.A OD1 no hydrogen 3.355 N/A PHE 827.A N TRP 823.A O no hydrogen 2.673 N/A ASN 828.A ND2 THR 824.A O no hydrogen 2.980 N/A TRP 829.A N VAL 825.A O no hydrogen 3.050 N/A PHE 830.A N GLN 826.A O no hydrogen 2.805 N/A LEU 831.A N PHE 827.A O no hydrogen 3.034 N/A LEU 833.A N PHE 830.A O no hydrogen 3.090 N/A