Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4buj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N SER 2.A O no hydrogen 3.012 N/A LEU 6.A N SER 2.A O no hydrogen 3.449 N/A TYR 7.A N ILE 3.A O no hydrogen 2.840 N/A GLN 8.A N GLN 4.A O no hydrogen 2.770 N/A SER 9.A N GLU 5.A O no hydrogen 2.829 N/A LEU 10.A N LEU 6.A O no hydrogen 2.757 N/A LYS 11.A N TYR 7.A O no hydrogen 2.735 N/A GLU 12.A N SER 9.A O no hydrogen 3.065 N/A ILE 13.A N LEU 10.A O no hydrogen 3.361 N/A LEU 28.A N THR 26.A OG1 no hydrogen 3.181 N/A ASP 36.A N HIS 33.A O no hydrogen 2.713 N/A ILE 37.A N HIS 33.A O no hydrogen 3.369 N/A ILE 38.A N ALA 34.A O no hydrogen 2.636 N/A LYS 39.A N ASN 35.A O no hydrogen 3.023 N/A ASP 40.A N ASP 36.A O no hydrogen 3.235 N/A ARG 41.A N ILE 37.A O no hydrogen 3.198 N/A ARG 41.A N ILE 38.A O no hydrogen 2.677 N/A ARG 41.A NH1 ARG 41.A O no hydrogen 2.960 N/A PHE 42.A N ILE 38.A O no hydrogen 2.918 N/A LEU 43.A N LYS 39.A O no hydrogen 3.327 N/A ARG 44.A N LYS 39.A O no hydrogen 2.858 N/A LEU 53.A N PRO 50.A O no hydrogen 3.087 N/A LEU 54.A N PRO 50.A O no hydrogen 3.069 N/A ASP 55.A N TRP 51.A O no hydrogen 2.842 N/A VAL 57.A N LEU 53.A O no hydrogen 2.643 N/A VAL 57.A N LEU 54.A O no hydrogen 2.854 N/A GLN 58.A N LEU 54.A O no hydrogen 2.801 N/A SER 64.A OG ASP 69.A OD2 no hydrogen 2.956 N/A LYS 71.A N LYS 67.A O no hydrogen 2.778 N/A GLU 72.A N LEU 68.A O no hydrogen 2.649 N/A GLU 72.A N ASP 69.A O no hydrogen 3.117 N/A LEU 73.A N ASP 69.A O no hydrogen 3.204 N/A SER 84.A N GLU 102.A O no hydrogen 3.151 N/A SER 84.A OG GLU 102.A O no hydrogen 3.316 N/A SER 84.A OG ASP 104.A OD1 no hydrogen 3.304 N/A SER 84.A OG ASP 104.A OD2 no hydrogen 2.545 N/A GLN 86.A N LYS 100.A O no hydrogen 3.069 N/A LYS 88.A N GLY 98.A O no hydrogen 3.430 N/A SER 97.A N LYS 88.A O no hydrogen 2.545 N/A GLY 98.A N LYS 88.A O no hydrogen 3.374 N/A GLU 102.A N SER 84.A O no hydrogen 2.827 N/A ASP 104.A N ARG 82.A O no hydrogen 3.324 N/A ASN 110.A ND2 LYS 106.A O no hydrogen 2.938 N/A ASN 115.A N ALA 111.A O no hydrogen 3.372 N/A SER 116.A N ALA 111.A O no hydrogen 3.207 N/A ARG 121.A N SER 118.A O no hydrogen 3.215 N/A ARG 121.A NH1 SER 116.A O no hydrogen 3.144 N/A ARG 121.A NH1 LEU 137.A O no hydrogen 2.728 N/A ARG 121.A NH2 LEU 137.A O no hydrogen 2.862 N/A SER 122.A N ASN 110.A O no hydrogen 3.048 N/A VAL 130.A N ASN 128.A OD1 no hydrogen 2.575 N/A SER 133.A N ARG 362.A O no hydrogen 3.381 N/A THR 134.A OG1 GLU 736.A OE2 no hydrogen 2.600 N/A GLN 136.A N SER 133.A O no hydrogen 3.010 N/A THR 140.A N LEU 117.A O no hydrogen 3.125 N/A GLY 142.A N LEU 397.A O no hydrogen 2.941 N/A ALA 155.A N THR 151.A O no hydrogen 2.780 N/A THR 156.A N MET 152.A O no hydrogen 2.830 N/A LYS 157.A N ALA 153.A O no hydrogen 2.769 N/A GLY 163.A N LEU 166.A O no hydrogen 2.999 N/A LEU 166.A N GLY 163.A O no hydrogen 3.325 N/A UNK 186.A N UNK 183.A O no hydrogen 3.085 N/A UNK 188.A N UNK 184.A O no hydrogen 3.284 N/A UNK 189.A N UNK 185.A O no hydrogen 3.415 N/A UNK 190.A N UNK 187.A O no hydrogen 2.676 N/A UNK 202.A N UNK 198.A O no hydrogen 3.264 N/A UNK 203.A N UNK 199.A O no hydrogen 3.064 N/A UNK 204.A N UNK 200.A O no hydrogen 2.830 N/A UNK 206.A N UNK 202.A O no hydrogen 2.997 N/A UNK 207.A N UNK 203.A O no hydrogen 3.052 N/A UNK 208.A N UNK 204.A O no hydrogen 2.851 N/A UNK 209.A N UNK 205.A O no hydrogen 2.868 N/A UNK 211.A N UNK 207.A O no hydrogen 2.936 N/A UNK 212.A N UNK 208.A O no hydrogen 2.924 N/A UNK 213.A N UNK 209.A O no hydrogen 2.892 N/A UNK 214.A N UNK 210.A O no hydrogen 2.802 N/A UNK 215.A N UNK 211.A O no hydrogen 2.906 N/A UNK 216.A N UNK 212.A O no hydrogen 2.811 N/A UNK 218.A N UNK 215.A O no hydrogen 3.058 N/A UNK 225.A N UNK 221.A O no hydrogen 2.811 N/A UNK 227.A N UNK 224.A O no hydrogen 2.947 N/A UNK 228.A N UNK 224.A O no hydrogen 3.247 N/A UNK 229.A N UNK 225.A O no hydrogen 3.051 N/A UNK 231.A N UNK 227.A O no hydrogen 2.767 N/A UNK 232.A N UNK 228.A O no hydrogen 3.361 N/A HIS 236.A N ILE 428.A O no hydrogen 2.658 N/A VAL 238.A N VAL 430.A O no hydrogen 2.979 N/A LEU 250.A N ASN 246.A O no hydrogen 2.819 N/A ILE 251.A N PHE 247.A O no hydrogen 2.760 N/A ALA 255.A N TYR 295.A OH no hydrogen 3.126 N/A ASP 263.A N GLN 266.A OE1 no hydrogen 2.932 N/A GLN 266.A NE2 GLY 288.A O no hydrogen 2.530 N/A LYS 267.A N ASP 263.A O no hydrogen 2.940 N/A GLU 268.A N THR 264.A O no hydrogen 2.829 N/A ALA 269.A N PHE 265.A O no hydrogen 2.877 N/A VAL 270.A N GLN 266.A O no hydrogen 2.822 N/A TYR 271.A N LYS 267.A O no hydrogen 2.856 N/A HIS 272.A N GLU 268.A O no hydrogen 2.845 N/A LEU 273.A N ALA 269.A O no hydrogen 2.856 N/A GLU 274.A N VAL 270.A O no hydrogen 2.814 N/A GLN 275.A N TYR 271.A O no hydrogen 2.801 N/A GLY 276.A N LEU 273.A O no hydrogen 2.580 N/A ASP 277.A N HIS 272.A O no hydrogen 3.107 N/A SER 278.A N ASN 427.A O no hydrogen 3.059 N/A PHE 280.A N TYR 429.A O no hydrogen 2.815 N/A ALA 282.A N ILE 431.A O no hydrogen 2.706 N/A SER 286.A OG SER 286.A O no hydrogen 2.608 N/A ALA 287.A N HIS 284.A O no hydrogen 3.241 N/A LYS 289.A NZ SER 407.A O no hydrogen 2.466 N/A THR 290.A OG1 GLU 294.A OE2 no hydrogen 3.227 N/A VAL 292.A N LYS 289.A O no hydrogen 2.961 N/A GLU 294.A N THR 290.A O no hydrogen 2.730 N/A TYR 295.A N VAL 291.A O no hydrogen 2.824 N/A TYR 295.A OH GLU 274.A OE1 no hydrogen 2.832 N/A ALA 296.A N VAL 292.A O no hydrogen 2.822 N/A ILE 297.A N ALA 293.A O no hydrogen 2.791 N/A ALA 298.A N GLU 294.A O no hydrogen 2.892 N/A MET 299.A N TYR 295.A O no hydrogen 2.786 N/A ALA 300.A N ALA 296.A O no hydrogen 2.863 N/A HIS 301.A N ILE 297.A O no hydrogen 2.816 N/A ARG 302.A N ALA 298.A O no hydrogen 2.846 N/A ASN 303.A N MET 299.A O no hydrogen 3.255 N/A ASN 303.A ND2 GLU 371.A OE1 no hydrogen 2.898 N/A MET 304.A N HIS 301.A O no hydrogen 2.853 N/A THR 305.A N ALA 300.A O no hydrogen 2.935 N/A THR 305.A OG1 ALA 300.A O no hydrogen 2.896 N/A THR 305.A OG1 GLU 371.A OE1 no hydrogen 2.633 N/A LYS 306.A N ASP 369.A O no hydrogen 2.571 N/A THR 307.A N ASN 347.A O no hydrogen 2.956 N/A ILE 308.A N PHE 372.A O no hydrogen 3.075 N/A TYR 309.A N LEU 349.A O no hydrogen 2.651 N/A THR 310.A N ILE 374.A O no hydrogen 2.964 N/A THR 310.A OG1 ILE 374.A O no hydrogen 2.846 N/A SER 311.A N MET 351.A O no hydrogen 3.088 N/A LEU 316.A N ILE 313.A O no hydrogen 3.081 N/A SER 317.A N LYS 314.A O no hydrogen 3.328 N/A SER 317.A OG LYS 314.A O no hydrogen 3.148 N/A ASN 318.A N ALA 315.A O no hydrogen 3.277 N/A ASN 318.A ND2 SER 900.A OG no hydrogen 3.161 N/A LYS 320.A N LEU 316.A O no hydrogen 2.810 N/A PHE 321.A N SER 317.A O no hydrogen 2.816 N/A ARG 322.A N ASN 318.A O no hydrogen 2.911 N/A ARG 322.A NE TYR 902.A O no hydrogen 2.813 N/A ARG 322.A NH2 TYR 902.A O no hydrogen 2.742 N/A ASP 323.A N GLN 319.A O no hydrogen 2.844 N/A PHE 324.A N LYS 320.A O no hydrogen 2.803 N/A LYS 325.A N PHE 321.A O no hydrogen 2.821 N/A GLU 326.A N ARG 322.A O no hydrogen 2.838 N/A THR 327.A N ASP 323.A O no hydrogen 2.833 N/A THR 327.A OG1 ASP 323.A O no hydrogen 2.747 N/A PHE 328.A N PHE 324.A O no hydrogen 2.729 N/A GLY 334.A N CYS 348.A O no hydrogen 2.789 N/A LEU 335.A N ILE 342.A O no hydrogen 2.842 N/A ILE 336.A N ILE 350.A O no hydrogen 2.917 N/A THR 337.A N VAL 340.A O no hydrogen 3.153 N/A THR 337.A OG1 VAL 340.A O no hydrogen 3.226 N/A VAL 340.A N THR 337.A OG1 no hydrogen 3.223 N/A ILE 342.A N LEU 335.A O no hydrogen 2.751 N/A ALA 346.A N ASN 343.A O no hydrogen 2.960 N/A ASN 347.A N ASN 332.A O no hydrogen 2.893 N/A ASN 347.A ND2 THR 305.A O no hydrogen 2.715 N/A CYS 348.A SG THR 307.A O no hydrogen 3.478 N/A LEU 349.A N THR 307.A O no hydrogen 3.072 N/A ILE 350.A N GLY 334.A O no hydrogen 2.880 N/A MET 351.A N TYR 309.A O no hydrogen 2.842 N/A LEU 356.A N THR 352.A O no hydrogen 3.195 N/A ARG 357.A N THR 353.A O no hydrogen 2.867 N/A SER 358.A N GLU 354.A O no hydrogen 2.911 N/A MET 359.A N ILE 355.A O no hydrogen 2.781 N/A LEU 360.A N LEU 356.A O no hydrogen 2.803 N/A TYR 361.A N ARG 357.A O no hydrogen 2.900 N/A TYR 361.A OH GLU 392.A OE1 no hydrogen 3.213 N/A ARG 362.A N SER 358.A O no hydrogen 3.082 N/A GLY 363.A N LEU 360.A O no hydrogen 2.890 N/A ALA 364.A N MET 359.A O no hydrogen 2.908 N/A LEU 366.A N SER 129.A O no hydrogen 3.015 N/A ILE 367.A N ALA 364.A O no hydrogen 3.410 N/A ARG 368.A N ASP 365.A O no hydrogen 2.816 N/A ARG 368.A NE ASP 365.A OD1 no hydrogen 3.502 N/A ARG 368.A NH1 ILE 119.A O no hydrogen 2.756 N/A ARG 368.A NH2 ARG 121.A O no hydrogen 2.918 N/A GLU 371.A N LYS 306.A O no hydrogen 2.824 N/A VAL 373.A N LYS 402.A O no hydrogen 3.271 N/A ILE 374.A N ILE 308.A O no hydrogen 2.923 N/A PHE 375.A N ILE 404.A O no hydrogen 3.183 N/A ASP 376.A N THR 310.A O no hydrogen 3.225 N/A VAL 378.A N LEU 406.A O no hydrogen 3.005 N/A HIS 379.A ND1 SER 407.A OG no hydrogen 3.005 N/A TYR 380.A N GLU 377.A O no hydrogen 3.382 N/A VAL 381.A N VAL 378.A O no hydrogen 2.375 N/A ASP 383.A N TYR 380.A O no hydrogen 3.083 N/A ARG 386.A N ASP 383.A O no hydrogen 3.157 N/A ARG 386.A NH1 GLU 354.A OE1 no hydrogen 2.999 N/A GLY 387.A N ASP 383.A O no hydrogen 2.709 N/A VAL 389.A N ARG 386.A O no hydrogen 2.975 N/A GLU 392.A N VAL 388.A O no hydrogen 3.458 N/A VAL 393.A N VAL 389.A O no hydrogen 2.803 N/A ILE 394.A N TRP 390.A O no hydrogen 2.841 N/A ILE 395.A N GLU 391.A O no hydrogen 2.852 N/A MET 396.A N GLU 392.A O no hydrogen 2.798 N/A LEU 397.A N VAL 393.A O no hydrogen 2.821 N/A HIS 400.A NE2 ILE 367.A O no hydrogen 2.865 N/A LYS 402.A N GLU 371.A O no hydrogen 3.025 N/A LYS 402.A NZ GLU 371.A OE2 no hydrogen 3.130 N/A PHE 403.A N SER 278.A OG no hydrogen 3.275 N/A ILE 404.A N VAL 373.A O no hydrogen 3.403 N/A LEU 405.A N VAL 279.A O no hydrogen 3.079 N/A LEU 406.A N PHE 375.A O no hydrogen 2.963 N/A SER 407.A N VAL 281.A O no hydrogen 3.199 N/A SER 407.A OG HIS 379.A ND1 no hydrogen 3.005 N/A SER 407.A OG ALA 408.A O no hydrogen 2.831 N/A ALA 408.A N HIS 379.A ND1 no hydrogen 3.147 N/A ASN 412.A ND2 GLU 415.A OE1 no hydrogen 2.670 N/A ALA 417.A N THR 413.A O no hydrogen 2.875 N/A ASN 418.A N TYR 414.A O no hydrogen 2.748 N/A TRP 419.A N GLU 415.A O no hydrogen 2.824 N/A TRP 419.A NE1 TYR 695.A O no hydrogen 3.140 N/A ILE 420.A N PHE 416.A O no hydrogen 2.934 N/A GLY 421.A N ALA 417.A O no hydrogen 2.842 N/A ARG 422.A N ASN 418.A O no hydrogen 2.762 N/A ARG 422.A NE ASN 418.A OD1 no hydrogen 3.214 N/A ARG 422.A NH2 ASN 418.A OD1 no hydrogen 3.456 N/A THR 423.A N TRP 419.A O no hydrogen 2.855 N/A THR 423.A OG1 TRP 419.A O no hydrogen 2.483 N/A LYS 424.A N ILE 420.A O no hydrogen 2.764 N/A LYS 424.A NZ GLY 142.A O no hydrogen 2.796 N/A LYS 424.A NZ ILE 394.A O no hydrogen 2.802 N/A LYS 424.A NZ ILE 395.A O no hydrogen 2.767 N/A LYS 424.A NZ LEU 397.A O no hydrogen 2.952 N/A LYS 426.A N GLY 421.A O no hydrogen 3.115 N/A LYS 426.A NZ GLN 399.A O no hydrogen 2.608 N/A TYR 429.A N SER 278.A O no hydrogen 2.785 N/A TYR 429.A OH ASP 277.A OD2 no hydrogen 3.367 N/A VAL 430.A N HIS 236.A O no hydrogen 2.767 N/A ILE 431.A N PHE 280.A O no hydrogen 2.846 N/A SER 432.A OG ALA 282.A O no hydrogen 3.114 N/A GLU 441.A N GLY 640.A O no hydrogen 3.178 N/A ILE 442.A N ILE 454.A O no hydrogen 2.755 N/A ASN 443.A N VAL 642.A O no hydrogen 2.805 N/A ASN 443.A ND2 VAL 642.A O no hydrogen 2.755 N/A ILE 444.A N ILE 451.A O no hydrogen 2.722 N/A TRP 445.A N VAL 644.A O no hydrogen 3.058 N/A ALA 446.A N GLU 449.A O no hydrogen 2.995 N/A ILE 451.A N ILE 444.A O no hydrogen 2.942 N/A ILE 454.A N ILE 442.A O no hydrogen 2.864 N/A ASN 457.A N ASN 455.A OD1 no hydrogen 3.223 N/A SER 458.A N ASN 455.A O no hydrogen 2.834 N/A LEU 461.A N VAL 453.A O no hydrogen 2.566 N/A ARG 466.A N GLU 462.A O no hydrogen 3.479 N/A LYS 467.A N ALA 463.A O no hydrogen 2.739 N/A HIS 468.A N ASN 464.A O no hydrogen 2.878 N/A LYS 469.A N PHE 465.A O no hydrogen 2.834 N/A GLU 470.A N ARG 466.A O no hydrogen 2.709 N/A ILE 471.A N LYS 467.A O no hydrogen 2.848 N/A LEU 472.A N HIS 468.A O no hydrogen 3.208 N/A ASN 473.A N GLU 470.A O no hydrogen 3.086 N/A SER 477.A N THR 480.A OG1 no hydrogen 2.935 N/A LYS 479.A N SER 477.A OG no hydrogen 3.413 N/A THR 480.A N SER 477.A O no hydrogen 3.105 N/A THR 480.A OG1 SER 477.A O no hydrogen 3.504 N/A ILE 484.A N THR 480.A O no hydrogen 2.935 N/A VAL 485.A N TRP 481.A O no hydrogen 2.858 N/A ASN 486.A N PRO 482.A O no hydrogen 2.817 N/A ASN 486.A ND2 PRO 482.A O no hydrogen 2.665 N/A TYR 487.A N GLU 483.A O no hydrogen 2.897 N/A LEU 488.A N ILE 484.A O no hydrogen 2.910 N/A ARG 489.A N VAL 485.A O no hydrogen 2.724 N/A ARG 489.A NH2 ASN 517.A O no hydrogen 2.545 N/A LYS 490.A N ASN 486.A O no hydrogen 2.834 N/A ARG 491.A N TYR 487.A O no hydrogen 3.205 N/A GLU 492.A N ARG 489.A O no hydrogen 3.060 N/A LEU 493.A N LEU 488.A O no hydrogen 2.730 N/A MET 496.A N LYS 584.A O no hydrogen 2.603 N/A VAL 497.A N THR 602.A O no hydrogen 2.852 N/A VAL 498.A N LEU 586.A O no hydrogen 2.752 N/A PHE 499.A N ILE 604.A O no hydrogen 2.959 N/A CYS 506.A N SER 502.A O no hydrogen 2.804 N/A CYS 506.A SG VAL 500.A O no hydrogen 3.859 N/A CYS 506.A SG SER 502.A O no hydrogen 3.709 N/A GLU 507.A N LYS 503.A O no hydrogen 2.831 N/A GLU 508.A N LYS 504.A O no hydrogen 2.857 N/A TYR 509.A N ARG 505.A O no hydrogen 2.834 N/A ALA 510.A N CYS 506.A O no hydrogen 2.836 N/A ASP 511.A N GLU 507.A O no hydrogen 2.831 N/A TRP 512.A N GLU 508.A O no hydrogen 2.860 N/A LEU 513.A N ALA 510.A O no hydrogen 3.058 N/A ILE 516.A N LEU 513.A O no hydrogen 3.186 N/A PHE 518.A N ARG 557.A O no hydrogen 3.050 N/A CYS 519.A SG LEU 555.A O no hydrogen 3.942 N/A CYS 519.A SG GLU 556.A O no hydrogen 3.295 N/A CYS 519.A SG PHE 582.A O no hydrogen 3.901 N/A ASN 520.A N GLU 523.A OE1 no hydrogen 3.143 N/A LYS 524.A N ASN 520.A O no hydrogen 2.769 N/A SER 525.A N ASN 521.A O no hydrogen 2.873 N/A GLN 526.A N LYS 522.A O no hydrogen 2.833 N/A ILE 527.A N GLU 523.A O no hydrogen 2.828 N/A HIS 528.A N LYS 524.A O no hydrogen 2.846 N/A MET 529.A N SER 525.A O no hydrogen 2.863 N/A PHE 530.A N GLN 526.A O no hydrogen 2.832 N/A ILE 531.A N ILE 527.A O no hydrogen 2.788 N/A GLU 532.A N HIS 528.A O no hydrogen 2.854 N/A LYS 533.A N MET 529.A O no hydrogen 2.786 N/A SER 534.A N PHE 530.A O no hydrogen 2.790 N/A SER 534.A OG PHE 530.A O no hydrogen 3.194 N/A ILE 535.A N ILE 531.A O no hydrogen 2.840 N/A ARG 537.A NH1 SER 534.A O no hydrogen 3.257 N/A ARG 537.A NH2 SER 900.A O no hydrogen 3.430 N/A LEU 538.A N ILE 535.A O no hydrogen 3.139 N/A LYS 539.A NZ GLU 541.A OE1 no hydrogen 3.090 N/A ARG 543.A N LYS 539.A O no hydrogen 2.967 N/A ARG 543.A NE LEU 538.A O no hydrogen 3.388 N/A ASP 544.A N LYS 540.A O no hydrogen 2.930 N/A LEU 545.A N ASP 542.A O no hydrogen 3.342 N/A LEU 549.A N LEU 545.A O no hydrogen 3.280 N/A LYS 550.A N PRO 546.A O no hydrogen 2.904 N/A LYS 550.A NZ ASP 511.A OD1 no hydrogen 2.893 N/A LYS 550.A NZ ASP 511.A OD2 no hydrogen 3.338 N/A THR 551.A N GLN 547.A O no hydrogen 2.817 N/A THR 551.A OG1 GLN 547.A O no hydrogen 2.573 N/A ARG 552.A N ILE 548.A O no hydrogen 2.748 N/A SER 553.A N LEU 549.A O no hydrogen 2.885 N/A SER 553.A OG LYS 550.A O no hydrogen 2.762 N/A LEU 554.A N LYS 550.A O no hydrogen 2.926 N/A LEU 555.A N THR 551.A O no hydrogen 2.813 N/A GLU 556.A N ARG 552.A O no hydrogen 2.851 N/A ARG 557.A N SER 553.A O no hydrogen 2.893 N/A ARG 557.A NE ILE 516.A O no hydrogen 2.995 N/A GLY 558.A N LEU 554.A O no hydrogen 2.956 N/A ILE 559.A N LEU 554.A O no hydrogen 3.112 N/A ALA 560.A N VAL 585.A O no hydrogen 2.795 N/A HIS 562.A N PHE 587.A O no hydrogen 2.774 N/A HIS 562.A NE2 GLU 575.A OE2 no hydrogen 2.845 N/A LEU 566.A N HIS 563.A O no hydrogen 2.898 N/A LEU 567.A N GLN 547.A OE1 no hydrogen 2.662 N/A LYS 571.A N LEU 567.A O no hydrogen 3.036 N/A GLU 572.A N PRO 568.A O no hydrogen 2.788 N/A LEU 573.A N ILE 569.A O no hydrogen 2.769 N/A ILE 574.A N VAL 570.A O no hydrogen 2.867 N/A GLU 575.A N LYS 571.A O no hydrogen 2.801 N/A ILE 576.A N GLU 572.A O no hydrogen 2.860 N/A LEU 577.A N LEU 573.A O no hydrogen 2.897 N/A PHE 578.A N ILE 574.A O no hydrogen 2.769 N/A SER 579.A N GLU 575.A O no hydrogen 2.804 N/A LYS 580.A N ILE 576.A O no hydrogen 3.074 N/A GLY 581.A N PHE 578.A O no hydrogen 2.796 N/A PHE 582.A N LEU 577.A O no hydrogen 3.137 N/A LYS 584.A N GLY 558.A O no hydrogen 2.790 N/A LEU 586.A N MET 496.A O no hydrogen 2.815 N/A PHE 587.A N ALA 560.A O no hydrogen 2.807 N/A ALA 588.A N VAL 498.A O no hydrogen 2.813 N/A THR 589.A N HIS 562.A O no hydrogen 2.895 N/A GLU 590.A N THR 589.A OG1 no hydrogen 2.698 N/A PHE 592.A N THR 589.A O no hydrogen 3.309 N/A ALA 593.A N GLU 590.A O no hydrogen 2.843 N/A MET 594.A N THR 591.A O no hydrogen 2.812 N/A GLY 595.A N PHE 592.A O no hydrogen 3.168 N/A THR 602.A N PRO 495.A O no hydrogen 3.081 N/A THR 602.A OG1 LEU 493.A O no hydrogen 2.397 N/A VAL 603.A N THR 641.A O no hydrogen 2.861 N/A ILE 604.A N VAL 497.A O no hydrogen 2.785 N/A PHE 605.A N ILE 643.A O no hydrogen 2.774 N/A SER 606.A OG PHE 499.A O no hydrogen 3.347 N/A SER 607.A OG ARG 609.A O no hydrogen 3.055 N/A ARG 609.A N SER 607.A OG no hydrogen 3.008 N/A LYS 610.A N ARG 617.A O no hydrogen 2.612 N/A ASP 612.A N GLY 615.A O no hydrogen 3.488 N/A ARG 617.A N LYS 610.A O no hydrogen 2.861 N/A ARG 617.A NE ASP 612.A OD2 no hydrogen 3.433 N/A ARG 617.A NH2 ASP 612.A OD2 no hydrogen 3.503 N/A ARG 617.A NH2 GLU 623.A OE2 no hydrogen 3.338 N/A LEU 619.A N ILE 608.A O no hydrogen 3.138 N/A THR 620.A N GLU 623.A OE1 no hydrogen 3.293 N/A THR 620.A OG1 THR 665.A OG1 no hydrogen 3.271 N/A PHE 624.A N THR 620.A O no hydrogen 3.343 N/A THR 625.A N PRO 621.A O no hydrogen 2.831 N/A THR 625.A OG1 PRO 621.A O no hydrogen 3.111 N/A GLN 626.A N GLY 622.A O no hydrogen 2.804 N/A MET 627.A N GLU 623.A O no hydrogen 2.903 N/A ALA 628.A N PHE 624.A O no hydrogen 2.737 N/A GLY 629.A N THR 625.A O no hydrogen 2.638 N/A ARG 630.A NH2 LEU 596.A O no hydrogen 3.330 N/A ALA 631.A N ALA 628.A O no hydrogen 3.274 N/A ARG 633.A NE ASP 637.A OD2 no hydrogen 3.026 N/A LEU 636.A N ARG 633.A O no hydrogen 3.131 N/A ASP 637.A N ARG 633.A O no hydrogen 2.912 N/A GLY 640.A N PRO 439.A O no hydrogen 2.827 N/A THR 641.A N ARG 601.A O no hydrogen 3.421 N/A VAL 642.A N GLU 441.A O no hydrogen 3.139 N/A ILE 643.A N VAL 603.A O no hydrogen 2.782 N/A VAL 644.A N ASN 443.A O no hydrogen 2.828 N/A MET 645.A N PHE 605.A O no hydrogen 2.832 N/A SER 649.A OG TYR 647.A O no hydrogen 3.442 N/A THR 655.A OG1 SER 652.A O no hydrogen 3.343 N/A PHE 656.A N SER 652.A O no hydrogen 3.188 N/A LYS 657.A N ILE 653.A O no hydrogen 2.871 N/A VAL 659.A N THR 655.A O no hydrogen 2.741 N/A THR 660.A N PHE 656.A O no hydrogen 2.780 N/A THR 660.A OG1 PHE 656.A O no hydrogen 2.763 N/A MET 661.A N LYS 657.A O no hydrogen 2.795 N/A GLN 668.A N ARG 666.A O no hydrogen 3.091 N/A SER 669.A OG GLU 391.A OE2 no hydrogen 2.579 N/A PHE 671.A N SER 669.A OG no hydrogen 2.931 N/A ILE 678.A N THR 674.A O no hydrogen 3.198 N/A LEU 679.A N TYR 675.A O no hydrogen 2.852 N/A ASN 680.A N ASN 676.A O no hydrogen 2.778 N/A LEU 681.A N MET 677.A O no hydrogen 2.833 N/A LEU 682.A N ILE 678.A O no hydrogen 2.812 N/A ARG 683.A N ASN 680.A O no hydrogen 2.954 N/A GLU 691.A N ARG 688.A O no hydrogen 2.513 N/A ILE 693.A N VAL 689.A O no hydrogen 2.822 N/A LYS 694.A N GLU 690.A O no hydrogen 2.832 N/A LYS 694.A NZ TYR 695.A OH no hydrogen 3.089 N/A TYR 695.A N GLU 691.A O no hydrogen 2.777 N/A SER 696.A N ILE 693.A O no hydrogen 2.991 N/A SER 696.A OG MET 692.A O no hydrogen 2.625 N/A SER 696.A OG ILE 693.A O no hydrogen 3.188 N/A PHE 697.A N GLU 391.A OE1 no hydrogen 2.804 N/A ASP 707.A N SER 703.A O no hydrogen 2.802 N/A TYR 708.A N LEU 704.A O no hydrogen 2.650 N/A TYR 708.A OH GLU 690.A OE2 no hydrogen 3.211 N/A GLU 709.A N LEU 705.A O no hydrogen 3.314 N/A LYS 710.A N PRO 706.A O no hydrogen 3.186 N/A LYS 710.A NZ GLN 809.A O no hydrogen 2.887 N/A ARG 711.A N ASP 707.A O no hydrogen 2.896 N/A ARG 711.A NE ASP 707.A OD1 no hydrogen 2.611 N/A LEU 712.A N TYR 708.A O no hydrogen 2.758 N/A ALA 713.A N GLU 709.A O no hydrogen 3.182 N/A VAL 714.A N LYS 710.A O no hydrogen 2.908 N/A LEU 715.A N ARG 711.A O no hydrogen 3.060 N/A LYS 716.A N LEU 712.A O no hydrogen 2.758 N/A ASP 717.A N ALA 713.A O no hydrogen 2.746 N/A THR 718.A N VAL 714.A O no hydrogen 2.940 N/A PHE 720.A N LEU 715.A O no hydrogen 3.135 N/A ASP 722.A N ASN 726.A O no hydrogen 3.206 N/A HIS 725.A N ASP 722.A O no hydrogen 2.853 N/A ASN 726.A N ASP 722.A OD1 no hydrogen 2.818 N/A LEU 728.A N PHE 720.A O no hydrogen 3.010 N/A LYS 730.A NZ GLU 747.A OE2 no hydrogen 3.517 N/A ARG 732.A N LEU 728.A O no hydrogen 2.955 N/A VAL 733.A N LEU 729.A O no hydrogen 2.892 N/A ALA 734.A N LYS 730.A O no hydrogen 2.863 N/A CYS 735.A N GLY 731.A O no hydrogen 2.669 N/A CYS 735.A SG LEU 679.A O no hydrogen 3.380 N/A CYS 735.A SG ASN 680.A OD1 no hydrogen 3.152 N/A GLU 736.A N VAL 733.A O no hydrogen 3.230 N/A ILE 737.A N ALA 734.A O no hydrogen 3.216 N/A ASN 738.A N GLU 867.A OE2 no hydrogen 3.277 N/A LEU 745.A N TYR 741.A O no hydrogen 3.268 N/A THR 746.A N GLU 742.A O no hydrogen 2.846 N/A THR 746.A OG1 GLU 742.A O no hydrogen 2.403 N/A GLU 747.A N LEU 743.A O no hydrogen 3.446 N/A LEU 748.A N VAL 744.A O no hydrogen 2.902 N/A ILE 749.A N LEU 745.A O no hydrogen 2.834 N/A LEU 750.A N GLU 747.A O no hydrogen 3.180 N/A PHE 753.A N ASP 751.A OD1 no hydrogen 3.283 N/A GLY 755.A N ASN 752.A O no hydrogen 3.053 N/A PHE 757.A N LEU 754.A O no hydrogen 3.152 N/A GLU 758.A N GLU 761.A OE1 no hydrogen 2.875 N/A ILE 762.A N GLU 758.A O no hydrogen 2.784 N/A VAL 763.A N PRO 759.A O no hydrogen 2.918 N/A LEU 765.A N GLU 761.A O no hydrogen 2.760 N/A LEU 766.A N ILE 762.A O no hydrogen 2.829 N/A SER 767.A N ALA 764.A O no hydrogen 2.984 N/A SER 767.A OG ALA 764.A O no hydrogen 2.783 N/A VAL 768.A N LEU 765.A O no hydrogen 3.520 N/A PHE 769.A N LEU 766.A O no hydrogen 3.160 N/A VAL 770.A N SER 767.A O no hydrogen 3.274 N/A TYR 771.A N SER 767.A O no hydrogen 3.071 N/A TYR 771.A OH GLU 849.A OE1 no hydrogen 2.536 N/A ARG 786.A NE GLU 761.A OE1 no hydrogen 3.027 N/A ARG 786.A NH2 GLU 761.A OE1 no hydrogen 2.652 N/A LEU 787.A N THR 784.A O no hydrogen 2.774 N/A ALA 788.A N THR 784.A O no hydrogen 3.424 N/A LYS 789.A N PRO 785.A O no hydrogen 2.841 N/A GLY 790.A N ARG 786.A O no hydrogen 2.820 N/A LYS 791.A N LEU 787.A O no hydrogen 2.887 N/A LYS 791.A NZ GLU 795.A OE2 no hydrogen 3.182 N/A GLN 792.A N ALA 788.A O no hydrogen 2.869 N/A ARG 793.A N LYS 789.A O no hydrogen 2.845 N/A ILE 794.A N GLY 790.A O no hydrogen 2.860 N/A GLU 795.A N LYS 791.A O no hydrogen 2.893 N/A GLU 796.A N GLN 792.A O no hydrogen 2.872 N/A ILE 797.A N ARG 793.A O no hydrogen 2.940 N/A TYR 798.A N ILE 794.A O no hydrogen 2.803 N/A TYR 798.A OH GLU 816.A O no hydrogen 2.682 N/A LYS 799.A N GLU 795.A O no hydrogen 2.871 N/A LYS 800.A N GLU 796.A O no hydrogen 2.916 N/A LYS 800.A NZ GLU 747.A OE1 no hydrogen 2.491 N/A MET 801.A N ILE 797.A O no hydrogen 2.899 N/A LEU 802.A N TYR 798.A O no hydrogen 2.823 N/A CYS 803.A N LYS 799.A O no hydrogen 2.885 N/A VAL 804.A N LYS 800.A O no hydrogen 2.933 N/A PHE 805.A N MET 801.A O no hydrogen 2.790 N/A ASN 806.A N LEU 802.A O no hydrogen 2.872 N/A THR 807.A N CYS 803.A O no hydrogen 2.740 N/A THR 807.A OG1 CYS 803.A O no hydrogen 2.723 N/A HIS 808.A N VAL 804.A O no hydrogen 3.498 N/A HIS 808.A NE2 ASP 717.A OD2 no hydrogen 2.879 N/A ILE 810.A N PHE 805.A O no hydrogen 3.265 N/A THR 813.A N GLU 816.A OE1 no hydrogen 2.911 N/A THR 813.A OG1 GLU 816.A OE1 no hydrogen 3.267 N/A GLU 816.A N THR 813.A OG1 no hydrogen 3.316 N/A ALA 817.A N THR 813.A O no hydrogen 2.971 N/A GLU 818.A N GLN 814.A O no hydrogen 3.161 N/A ARG 822.A N GLU 818.A O no hydrogen 2.669 N/A ARG 824.A NH1 VAL 768.A O no hydrogen 2.452 N/A MET 828.A N PHE 825.A O no hydrogen 2.975 N/A VAL 831.A N MET 827.A O no hydrogen 3.021 N/A TYR 832.A N MET 828.A O no hydrogen 2.822 N/A GLU 833.A N ASN 829.A O no hydrogen 2.822 N/A TRP 834.A N VAL 830.A O no hydrogen 2.888 N/A TRP 834.A NE1 ILE 891.A O no hydrogen 2.744 N/A ALA 835.A N VAL 831.A O no hydrogen 2.707 N/A ARG 836.A N TYR 832.A O no hydrogen 2.774 N/A GLY 837.A N TRP 834.A O no hydrogen 3.094 N/A LEU 838.A N GLU 833.A O no hydrogen 2.954 N/A ILE 843.A N SER 839.A O no hydrogen 3.161 N/A MET 844.A N PHE 840.A O no hydrogen 2.853 N/A GLU 845.A N LYS 841.A O no hydrogen 2.857 N/A MET 846.A N GLU 842.A O no hydrogen 2.710 N/A SER 847.A N ILE 843.A O no hydrogen 2.605 N/A VAL 854.A N ALA 850.A O no hydrogen 3.447 N/A VAL 855.A N GLU 851.A O no hydrogen 3.517 N/A ARG 856.A N GLY 852.A O no hydrogen 3.311 N/A VAL 857.A N THR 853.A O no hydrogen 2.828 N/A ILE 858.A N VAL 854.A O no hydrogen 2.881 N/A THR 859.A N VAL 855.A O no hydrogen 2.777 N/A THR 859.A OG1 VAL 855.A O no hydrogen 2.575 N/A TRP 860.A N ARG 856.A O no hydrogen 2.855 N/A LEU 861.A N VAL 857.A O no hydrogen 2.917 N/A ASP 862.A N THR 859.A O no hydrogen 3.048 N/A ILE 864.A N TRP 860.A O no hydrogen 2.988 N/A CYS 865.A N LEU 861.A O no hydrogen 2.802 N/A CYS 865.A SG LEU 861.A O no hydrogen 3.188 N/A ARG 866.A N ASP 862.A O no hydrogen 2.837 N/A ARG 866.A NH2 GLU 863.A OE1 no hydrogen 3.569 N/A GLU 867.A N GLU 863.A O no hydrogen 2.891 N/A VAL 868.A N ILE 864.A O no hydrogen 2.887 N/A LYS 869.A N CYS 865.A O no hydrogen 2.626 N/A THR 870.A N ARG 866.A O no hydrogen 2.826 N/A THR 870.A OG1 ARG 866.A O no hydrogen 3.252 N/A ALA 871.A N GLU 867.A O no hydrogen 2.865 N/A SER 872.A N VAL 868.A O no hydrogen 3.233 N/A SER 872.A OG LYS 869.A O no hydrogen 3.239 N/A SER 872.A OG ASN 877.A O no hydrogen 3.469 N/A ILE 873.A N THR 870.A O no hydrogen 3.017 N/A ILE 874.A N ALA 871.A O no hydrogen 2.736 N/A ILE 875.A N ALA 871.A O no hydrogen 2.801 N/A GLY 876.A N SER 872.A O no hydrogen 2.891 N/A ASN 877.A N SER 872.A O no hydrogen 3.145 N/A LEU 880.A N ASN 877.A OD1 no hydrogen 3.012 N/A MET 882.A N SER 878.A O no hydrogen 3.371 N/A LYS 883.A N THR 879.A O no hydrogen 2.907 N/A LYS 883.A NZ LEU 754.A O no hydrogen 3.177 N/A LYS 883.A NZ GLY 755.A O no hydrogen 2.596 N/A LYS 883.A NZ PHE 757.A O no hydrogen 2.803 N/A MET 884.A N LEU 880.A O no hydrogen 2.817 N/A SER 885.A N HIS 881.A O no hydrogen 2.878 N/A ARG 886.A N MET 882.A O no hydrogen 2.805 N/A ALA 887.A N LYS 883.A O no hydrogen 2.854 N/A GLN 888.A N MET 884.A O no hydrogen 2.772 N/A GLN 888.A NE2 ASP 862.A OD1 no hydrogen 2.573 N/A GLU 889.A N SER 885.A O no hydrogen 2.936 N/A LEU 890.A N ARG 886.A O no hydrogen 2.794 N/A ILE 891.A N ALA 887.A O no hydrogen 2.880 N/A LYS 892.A N GLN 888.A O no hydrogen 3.291 N/A ARG 893.A NH1 ASP 894.A OD2 no hydrogen 2.845 N/A ARG 893.A NH2 TRP 834.A O no hydrogen 2.754 N/A ARG 893.A NH2 LEU 838.A O no hydrogen 3.009 N/A PHE 897.A N ASP 894.A O no hydrogen 2.759 N/A ALA 898.A N ILE 895.A O no hydrogen 3.250 N/A SER 900.A OG GLU 572.A OE1 no hydrogen 3.173 N/A SER 900.A OG GLU 572.A OE2 no hydrogen 2.839 N/A LEU 901.A N GLU 572.A OE1 no hydrogen 2.635 N/A TYR 902.A N SER 900.A OG no hydrogen 3.064 N/A TYR 902.A OH GLU 575.A OE1 no hydrogen 2.696 N/A LEU 903.A N SER 900.A O no hydrogen 3.361 N/A