Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w88_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ALA 2.A O no hydrogen 3.070 N/A SER 3.A OG CYS 21.A O no hydrogen 3.251 N/A ILE 5.A N VAL 103.A O no hydrogen 2.780 N/A LEU 6.A N TYR 19.A O no hydrogen 3.111 N/A ASN 8.A N GLU 16.A O no hydrogen 3.033 N/A ASN 8.A ND2 GLU 98.A O no hydrogen 3.322 N/A ARG 9.A NH1 TYR 199.A OH no hydrogen 2.719 N/A VAL 10.A N GLU 14.A O no hydrogen 3.099 N/A GLU 16.A N ASN 8.A O no hydrogen 2.967 N/A VAL 17.A N ALA 131.A O no hydrogen 2.997 N/A CYS 21.A N LEU 4.A O no hydrogen 3.149 N/A CYS 21.A SG ASP 22.A O no hydrogen 3.229 N/A GLY 23.A N ASP 22.A OD1 no hydrogen 2.589 N/A ARG 25.A N TYR 38.A O no hydrogen 3.360 N/A GLU 27.A N ASP 36.A O no hydrogen 2.914 N/A ILE 29.A N ARG 34.A O no hydrogen 2.883 N/A ARG 33.A N PRO 30.A O no hydrogen 2.876 N/A ARG 34.A N ILE 29.A O no hydrogen 3.087 N/A VAL 35.A N VAL 50.A O no hydrogen 2.997 N/A ASP 36.A N GLU 27.A O no hydrogen 2.906 N/A LEU 37.A N LEU 48.A O no hydrogen 3.325 N/A TYR 38.A N ARG 25.A O no hydrogen 2.636 N/A TYR 38.A OH ASP 36.A OD2 no hydrogen 2.929 N/A SER 43.A N HIS 41.A O no hydrogen 2.695 N/A LYS 47.A NZ GLU 49.A OE2 no hydrogen 2.800 N/A LEU 48.A N LEU 37.A O no hydrogen 2.791 N/A VAL 50.A N VAL 35.A O no hydrogen 3.068 N/A LEU 51.A N ASP 54.A OD2 no hydrogen 2.848 N/A PHE 52.A N ARG 33.A O no hydrogen 2.929 N/A ASN 56.A N GLN 72.A O no hydrogen 3.278 N/A CYS 58.A SG LEU 70.A O no hydrogen 3.995 N/A CYS 58.A SG PHE 121.A O no hydrogen 3.328 N/A CYS 61.A N PHE 59.A O no hydrogen 2.943 N/A CYS 61.A SG HIS 62.A O no hydrogen 3.628 N/A THR 66.A N LEU 63.A O no hydrogen 3.239 N/A THR 66.A OG1 THR 66.A O no hydrogen 2.393 N/A LEU 70.A N PHE 59.A O no hydrogen 3.094 N/A THR 74.A N ASP 54.A O no hydrogen 3.272 N/A ARG 78.A N GLU 49.A O no hydrogen 3.190 N/A HIS 80.A ND1 ILE 79.A O no hydrogen 2.457 N/A VAL 85.A N ILE 81.A O no hydrogen 3.347 N/A ARG 86.A NH1 ASP 259.A OD2 no hydrogen 3.515 N/A ARG 86.A NH2 ASP 259.A OD1 no hydrogen 2.531 N/A SER 94.A OG ASN 93.A O no hydrogen 2.616 N/A GLU 98.A N SER 95.A O no hydrogen 2.796 N/A CYS 99.A N SER 95.A O no hydrogen 3.128 N/A CYS 99.A SG SER 95.A O no hydrogen 3.096 N/A CYS 99.A SG SER 95.A OG no hydrogen 2.914 N/A SER 100.A OG LEU 73.A O no hydrogen 3.399 N/A SER 100.A OG SER 100.A O no hydrogen 2.296 N/A THR 101.A OG1 SER 100.A O no hydrogen 2.515 N/A LEU 102.A N LEU 71.A O no hydrogen 2.938 N/A LYS 105.A N SER 3.A O no hydrogen 3.102 N/A LEU 106.A N LEU 104.A O no hydrogen 2.727 N/A LEU 116.A N GLU 117.A OE1 no hydrogen 3.336 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.768 N/A SER 118.A OG GLU 117.A OE2 no hydrogen 3.314 N/A LEU 119.A N LEU 116.A O no hydrogen 3.411 N/A SER 122.A OG PHE 121.A O no hydrogen 2.570 N/A ILE 130.A N LEU 15.A O no hydrogen 2.881 N/A VAL 138.A N ASN 155.A OD1 no hydrogen 2.668 N/A CYS 140.A SG PRO 141.A O no hydrogen 3.143 N/A TYR 148.A OH TYR 298.A OH no hydrogen 3.386 N/A VAL 150.A N PRO 147.A O no hydrogen 3.016 N/A PHE 152.A N TYR 148.A O no hydrogen 2.904 N/A ARG 153.A N GLU 149.A O no hydrogen 2.889 N/A ARG 153.A NE GLU 149.A OE2 no hydrogen 3.133 N/A ARG 153.A NH2 GLU 149.A OE2 no hydrogen 3.321 N/A LEU 154.A N VAL 150.A O no hydrogen 2.901 N/A ASN 155.A N LEU 151.A O no hydrogen 2.905 N/A ASN 155.A ND2 VAL 138.A O no hydrogen 3.595 N/A ASN 155.A ND2 LEU 151.A O no hydrogen 2.459 N/A SER 156.A N PHE 152.A O no hydrogen 2.897 N/A SER 156.A OG PHE 152.A O no hydrogen 3.248 N/A SER 156.A OG ARG 153.A O no hydrogen 2.549 N/A LEU 157.A N ARG 153.A O no hydrogen 2.919 N/A VAL 158.A N LEU 154.A O no hydrogen 2.929 N/A HIS 159.A N ASN 155.A O no hydrogen 2.912 N/A HIS 159.A NE2 PRO 136.A O no hydrogen 2.539 N/A MET 160.A N SER 156.A O no hydrogen 3.002 N/A GLY 161.A N LEU 157.A O no hydrogen 3.108 N/A LYS 162.A N LEU 157.A O no hydrogen 3.104 N/A LYS 162.A NZ LEU 194.A O no hydrogen 3.424 N/A LYS 162.A NZ LYS 195.A O no hydrogen 2.957 N/A ASN 169.A N HIS 167.A O no hydrogen 3.039 N/A LYS 174.A N ALA 170.A O no hydrogen 2.932 N/A LYS 174.A NZ LYS 174.A O no hydrogen 2.316 N/A LYS 174.A NZ GLU 177.A OE1 no hydrogen 3.354 N/A VAL 175.A N ASP 171.A O no hydrogen 2.881 N/A LEU 176.A N LEU 172.A O no hydrogen 2.931 N/A ASP 182.A N SER 180.A OG no hydrogen 3.008 N/A ARG 185.A N ILE 181.A O no hydrogen 2.894 N/A ARG 186.A N ASP 182.A O no hydrogen 2.918 N/A ARG 186.A NE ASP 182.A O no hydrogen 3.165 N/A ILE 187.A N THR 183.A O no hydrogen 2.897 N/A PHE 188.A N LEU 184.A O no hydrogen 2.902 N/A GLU 189.A N ARG 185.A O no hydrogen 2.893 N/A LYS 190.A N ARG 186.A O no hydrogen 2.897 N/A LYS 190.A NZ GLU 208.A OE1 no hydrogen 2.372 N/A MET 191.A N ILE 187.A O no hydrogen 2.889 N/A SER 192.A N PHE 188.A O no hydrogen 2.381 N/A SER 192.A OG PHE 188.A O no hydrogen 2.380 N/A LYS 193.A NZ GLU 189.A O no hydrogen 2.398 N/A LEU 194.A N MET 191.A O no hydrogen 3.444 N/A SER 196.A OG GLU 57.A OE1 no hydrogen 3.167 N/A CYS 198.A N LYS 162.A O no hydrogen 3.014 N/A CYS 198.A SG GLU 200.A O no hydrogen 3.477 N/A PHE 204.A N GLU 200.A O no hydrogen 3.054 N/A ILE 205.A N PRO 201.A O no hydrogen 2.905 N/A ARG 206.A N LEU 202.A O no hydrogen 2.939 N/A HIS 207.A N GLN 203.A O no hydrogen 2.900 N/A HIS 207.A ND1 GLU 208.A OE2 no hydrogen 2.866 N/A GLU 208.A N PHE 204.A O no hydrogen 2.934 N/A ALA 209.A N ILE 205.A O no hydrogen 2.876 N/A HIS 210.A N ARG 206.A O no hydrogen 2.944 N/A MET 212.A N HIS 210.A O no hydrogen 2.815 N/A ARG 217.A NH2 PRO 233.A O no hydrogen 3.253 N/A CYS 218.A N GLU 234.A O no hydrogen 3.340 N/A CYS 218.A SG CYS 218.A O no hydrogen 2.908 N/A CYS 218.A SG GLU 235.A O no hydrogen 3.752 N/A ILE 221.A N ARG 254.A O no hydrogen 3.299 N/A HIS 222.A N TYR 229.A O no hydrogen 2.950 N/A THR 224.A OG1 HIS 222.A O no hydrogen 3.068 N/A SER 226.A OG GLU 260.A OE2 no hydrogen 3.416 N/A TYR 229.A N HIS 222.A O no hydrogen 3.337 N/A TYR 229.A OH THR 74.A O no hydrogen 3.198 N/A LEU 231.A N ARG 220.A O no hydrogen 3.325 N/A SER 238.A OG GLU 236.A OE2 no hydrogen 2.303 N/A LYS 243.A N ASN 239.A O no hydrogen 3.402 N/A LYS 243.A NZ LYS 214.A O no hydrogen 3.240 N/A TYR 244.A N TYR 240.A O no hydrogen 2.905 N/A TYR 244.A N VAL 241.A O no hydrogen 2.714 N/A HIS 245.A N VAL 241.A O no hydrogen 2.997 N/A ALA 249.A N SER 246.A O no hydrogen 3.069 N/A ASP 251.A N TYR 248.A O no hydrogen 2.570 N/A PHE 252.A N ALA 249.A O no hydrogen 3.472 N/A VAL 255.A N VAL 313.A O no hydrogen 3.038 N/A VAL 258.A N ILE 223.A O no hydrogen 3.383 N/A ASP 259.A N SER 263.A O no hydrogen 3.015 N/A GLU 260.A N ASP 259.A OD1 no hydrogen 2.945 N/A SER 263.A N ASP 261.A O no hydrogen 2.510 N/A SER 263.A OG ASP 261.A O no hydrogen 3.099 N/A LYS 264.A NZ ARG 309.A O no hydrogen 2.406 N/A ALA 269.A N SER 266.A O no hydrogen 3.021 N/A SER 271.A OG LEU 275.A O no hydrogen 3.318 N/A ALA 272.A N LEU 275.A O no hydrogen 3.067 N/A THR 277.A OG1 ALA 269.A O no hydrogen 2.646 N/A ARG 282.A N GLY 278.A O no hydrogen 2.891 N/A ILE 283.A N LEU 279.A O no hydrogen 2.901 N/A LEU 284.A N TYR 280.A O no hydrogen 2.960 N/A SER 285.A N HIS 281.A O no hydrogen 2.842 N/A SER 285.A OG HIS 281.A O no hydrogen 3.391 N/A ILE 286.A N ARG 282.A O no hydrogen 2.921 N/A LEU 287.A N ILE 283.A O no hydrogen 2.923 N/A LYS 288.A N LEU 284.A O no hydrogen 2.892 N/A GLU 289.A N SER 285.A O no hydrogen 2.886 N/A ILE 293.A N LYS 296.A O no hydrogen 2.645 N/A TYR 298.A N PHE 291.A O no hydrogen 2.842 N/A TYR 298.A OH TYR 148.A OH no hydrogen 3.386 N/A GLU 299.A N PHE 316.A O no hydrogen 2.833 N/A LEU 301.A N TRP 314.A O no hydrogen 3.029 N/A SER 304.A OG PHE 351.A O no hydrogen 2.466 N/A ARG 309.A NE ALA 305.A O no hydrogen 3.263 N/A ARG 309.A NH2 ALA 305.A O no hydrogen 2.346 N/A SER 312.A N GLN 307.A O no hydrogen 2.788 N/A SER 312.A OG VAL 255.A O no hydrogen 3.321 N/A VAL 313.A N VAL 255.A O no hydrogen 3.188 N/A TRP 314.A N ALA 302.A O no hydrogen 3.251 N/A TRP 314.A NE1 GLN 307.A OE1 no hydrogen 2.415 N/A PHE 316.A N GLU 299.A O no hydrogen 2.853 N/A ALA 317.A N ASP 251.A O no hydrogen 3.279 N/A SER 318.A OG GLU 299.A OE1 no hydrogen 3.061 N/A SER 318.A OG THR 323.A OG1 no hydrogen 3.189 N/A ASN 319.A N LEU 322.A O no hydrogen 3.072 N/A SER 321.A N ASN 319.A OD1 no hydrogen 3.214 N/A SER 321.A OG TYR 248.A OH no hydrogen 3.394 N/A LEU 322.A N ASN 319.A OD1 no hydrogen 2.888 N/A THR 323.A OG1 SER 318.A OG no hydrogen 3.189 N/A ILE 327.A N THR 323.A O no hydrogen 3.141 N/A ARG 328.A N ALA 324.A O no hydrogen 2.944 N/A ARG 329.A N GLU 325.A O no hydrogen 2.924 N/A ARG 329.A NH2 GLU 325.A OE2 no hydrogen 2.609 N/A TRP 330.A N ASN 326.A O no hydrogen 2.891 N/A TRP 330.A N ILE 327.A O no hydrogen 2.925 N/A MET 331.A N ILE 327.A O no hydrogen 2.942 N/A GLU 335.A N GLU 335.A OE1 no hydrogen 2.740 N/A SER 339.A OG THR 749.A O no hydrogen 2.355 N/A LYS 342.A N SER 339.A O no hydrogen 2.531 N/A CYS 343.A SG PHE 334.A O no hydrogen 4.013 N/A ALA 344.A N VAL 340.A O no hydrogen 2.891 N/A ALA 345.A N SER 341.A O no hydrogen 2.908 N/A ARG 346.A N LYS 342.A O no hydrogen 2.910 N/A MET 347.A N ALA 344.A O no hydrogen 3.097 N/A GLY 348.A N ALA 345.A O no hydrogen 3.173 N/A SER 354.A OG SER 352.A O no hydrogen 3.183 N/A THR 357.A N LEU 449.A O no hydrogen 3.180 N/A TYR 363.A N SER 361.A OG no hydrogen 2.407 N/A ASP 364.A N SER 361.A OG no hydrogen 3.119 N/A GLU 366.A N LEU 433.A O no hydrogen 3.427 N/A VAL 373.A N TYR 380.A O no hydrogen 3.403 N/A THR 375.A N THR 378.A O no hydrogen 3.216 N/A THR 375.A OG1 THR 374.A O no hydrogen 2.752 N/A THR 378.A OG1 LYS 379.A O no hydrogen 3.456 N/A TYR 380.A N VAL 373.A O no hydrogen 3.107 N/A SER 383.A OG ASP 370.A OD1 no hydrogen 2.695 N/A SER 383.A OG ILE 381.A O no hydrogen 2.968 N/A LYS 388.A NZ ASP 426.A OD2 no hydrogen 3.240 N/A ARG 392.A N SER 390.A OG no hydrogen 3.191 N/A ARG 392.A NE ASN 432.A OD1 no hydrogen 2.836 N/A ARG 392.A NH2 ASN 432.A OD1 no hydrogen 2.561 N/A PHE 393.A N SER 390.A O no hydrogen 2.969 N/A ALA 394.A N SER 390.A O no hydrogen 3.363 N/A ARG 395.A N THR 391.A O no hydrogen 2.929 N/A ARG 395.A NE PRO 405.A O no hydrogen 2.991 N/A ARG 395.A NH2 ALA 406.A O no hydrogen 2.723 N/A GLN 396.A N ARG 392.A O no hydrogen 2.899 N/A VAL 397.A N PHE 393.A O no hydrogen 2.909 N/A ALA 398.A N ALA 394.A O no hydrogen 2.919 N/A ALA 398.A N ARG 395.A O no hydrogen 3.200 N/A LYS 399.A N GLN 396.A O no hydrogen 3.299 N/A ILE 401.A N VAL 397.A O no hydrogen 3.463 N/A GLY 402.A N LYS 399.A O no hydrogen 2.575 N/A LEU 403.A N ALA 398.A O no hydrogen 2.747 N/A HIS 407.A N ASP 404.A O no hydrogen 3.303 N/A SER 410.A N SER 455.A OG no hydrogen 2.482 N/A GLN 413.A N ASN 453.A O no hydrogen 3.168 N/A ARG 415.A NE GLN 349.A O no hydrogen 3.208 N/A ARG 415.A NH2 GLN 349.A O no hydrogen 2.797 N/A TYR 416.A N TYR 419.A O no hydrogen 3.430 N/A TYR 416.A OH SER 361.A O no hydrogen 2.430 N/A TYR 419.A N TYR 416.A O no hydrogen 2.957 N/A LYS 420.A NZ ASP 662.A O no hydrogen 3.284 N/A ILE 423.A N PHE 412.A O no hydrogen 2.982 N/A THR 424.A N ILE 386.A O no hydrogen 3.364 N/A ILE 425.A N SER 410.A O no hydrogen 2.906 N/A ASP 426.A N ILE 389.A O no hydrogen 3.345 N/A THR 428.A N ASP 426.A OD1 no hydrogen 3.209 N/A THR 428.A OG1 GLU 567.A OE2 no hydrogen 3.112 N/A SER 429.A OG ASP 426.A O no hydrogen 2.696 N/A LEU 435.A N GLU 366.A O no hydrogen 2.760 N/A SER 438.A OG SER 383.A O no hydrogen 2.282 N/A LYS 441.A N GLY 418.A O no hydrogen 2.889 N/A LYS 441.A NZ MET 439.A O no hydrogen 2.225 N/A GLU 443.A N GLU 443.A OE1 no hydrogen 2.584 N/A SER 444.A OG MET 331.A O no hydrogen 2.723 N/A LYS 445.A NZ SER 444.A O no hydrogen 3.539 N/A SER 446.A N SER 444.A OG no hydrogen 2.986 N/A THR 447.A OG1 GLU 359.A OE2 no hydrogen 2.354 N/A LEU 449.A N PHE 358.A O no hydrogen 3.050 N/A ASN 450.A N ARG 415.A O no hydrogen 3.167 N/A ASN 450.A ND2 SER 354.A OG no hydrogen 2.364 N/A THR 452.A N GLN 413.A O no hydrogen 3.312 N/A THR 452.A OG1 GLN 413.A O no hydrogen 3.488 N/A TRP 454.A N ASN 453.A OD1 no hydrogen 2.592 N/A SER 455.A N ALA 411.A O no hydrogen 3.307 N/A CYS 460.A SG HIS 554.A ND1 no hydrogen 3.728 N/A CYS 460.A SG VAL 555.A O no hydrogen 3.371 N/A CYS 460.A SG GLY 558.A O no hydrogen 3.293 N/A VAL 462.A N ILE 553.A O no hydrogen 2.491 N/A ASN 463.A ND2 CYS 551.A O no hydrogen 3.057 N/A GLU 465.A N GLU 465.A OE2 no hydrogen 2.780 N/A ILE 467.A N ASN 463.A O no hydrogen 3.191 N/A SER 468.A N ARG 464.A O no hydrogen 2.992 N/A SER 468.A OG ARG 464.A O no hydrogen 3.497 N/A LEU 469.A N GLU 465.A O no hydrogen 2.972 N/A LEU 470.A N ILE 466.A O no hydrogen 2.915 N/A SER 471.A N ILE 467.A O no hydrogen 2.862 N/A SER 471.A N SER 468.A O no hydrogen 3.207 N/A SER 471.A OG ILE 467.A O no hydrogen 2.338 N/A PHE 480.A N ASP 477.A O no hydrogen 3.103 N/A GLU 481.A N GLU 478.A O no hydrogen 3.090 N/A SER 482.A N GLU 478.A O no hydrogen 2.960 N/A GLN 484.A NE2 LYS 552.A O no hydrogen 2.778 N/A GLN 485.A N GLU 481.A O no hydrogen 2.982 N/A ASP 486.A N SER 482.A O no hydrogen 2.939 N/A ASP 487.A N MET 483.A O no hydrogen 2.906 N/A GLU 499.A N ASN 497.A OD1 no hydrogen 3.313 N/A LEU 505.A N ALA 501.A O no hydrogen 2.913 N/A GLY 506.A N LEU 502.A O no hydrogen 2.853 N/A GLY 509.A N GLY 506.A O no hydrogen 2.816 N/A LYS 514.A NZ THR 513.A O no hydrogen 3.422 N/A ASP 518.A N LYS 514.A O no hydrogen 2.942 N/A MET 519.A N ALA 516.A O no hydrogen 2.998 N/A GLN 522.A N ASP 518.A O no hydrogen 3.032 N/A SER 527.A OG ARG 870.A O no hydrogen 2.997 N/A TYR 531.A OH ASP 812.A OD1 no hydrogen 3.288 N/A MET 534.A N PRO 530.A O no hydrogen 2.925 N/A ILE 535.A N TYR 531.A O no hydrogen 2.863 N/A LEU 536.A N LEU 532.A O no hydrogen 2.953 N/A LYS 537.A N LEU 533.A O no hydrogen 2.874 N/A ALA 538.A N MET 534.A O no hydrogen 2.871 N/A HIS 539.A N ILE 535.A O no hydrogen 2.979 N/A ARG 540.A N LEU 536.A O no hydrogen 2.888 N/A ALA 541.A N LYS 537.A O no hydrogen 2.838 N/A ASN 542.A N ALA 538.A O no hydrogen 2.959 N/A ASN 542.A ND2 HIS 539.A O no hydrogen 3.512 N/A ARG 543.A N HIS 539.A O no hydrogen 2.951 N/A ARG 543.A NE ARG 543.A O no hydrogen 3.190 N/A ARG 543.A NH1 LEU 505.A O no hydrogen 3.319 N/A LEU 544.A N ARG 540.A O no hydrogen 2.904 N/A THR 545.A N ALA 541.A O no hydrogen 2.902 N/A THR 545.A OG1 ALA 541.A O no hydrogen 2.323 N/A THR 545.A OG1 ASN 542.A O no hydrogen 2.613 N/A ASP 546.A N ASN 542.A O no hydrogen 2.984 N/A ILE 547.A N ARG 543.A O no hydrogen 2.935 N/A ARG 548.A N LEU 544.A O no hydrogen 2.898 N/A THR 549.A N THR 545.A O no hydrogen 2.937 N/A THR 549.A OG1 THR 545.A O no hydrogen 3.178 N/A THR 549.A OG1 ASP 546.A O no hydrogen 3.304 N/A ARG 550.A N ASP 546.A O no hydrogen 2.961 N/A ARG 550.A NE ARG 550.A O no hydrogen 3.347 N/A ARG 550.A NH2 ASN 463.A OD1 no hydrogen 2.302 N/A CYS 551.A N ARG 548.A O no hydrogen 3.245 N/A LYS 552.A N ILE 547.A O no hydrogen 3.402 N/A ILE 553.A N VAL 462.A O no hydrogen 2.881 N/A HIS 554.A ND1 CYS 460.A O no hydrogen 2.258 N/A GLY 558.A N GLN 556.A O no hydrogen 3.182 N/A ARG 559.A NE SER 457.A OG no hydrogen 3.291 N/A ARG 559.A NH1 GLU 586.A OE2 no hydrogen 2.714 N/A ARG 559.A NH2 ASN 583.A OD1 no hydrogen 3.203 N/A ARG 559.A NH2 GLU 586.A OE2 no hydrogen 3.319 N/A CYS 564.A N VAL 642.A O no hydrogen 2.986 N/A CYS 564.A SG THR 424.A OG1 no hydrogen 2.738 N/A ASP 566.A N PHE 644.A O no hydrogen 3.012 N/A CYS 569.A N ASP 566.A OD2 no hydrogen 2.764 N/A CYS 569.A SG GLU 567.A O no hydrogen 3.593 N/A ARG 579.A NH2 THR 602.A OG1 no hydrogen 3.417 N/A THR 581.A OG1 LYS 601.A O no hydrogen 2.785 N/A LYS 582.A N LYS 601.A O no hydrogen 2.460 N/A LYS 582.A NZ GLU 586.A OE1 no hydrogen 2.800 N/A ASN 583.A N ASN 583.A OD1 no hydrogen 2.440 N/A LYS 585.A NZ LYS 585.A O no hydrogen 2.508 N/A GLU 586.A N ASN 583.A O no hydrogen 3.043 N/A GLN 587.A N ASN 583.A O no hydrogen 2.538 N/A GLN 587.A NE2 GLY 600.A O no hydrogen 3.041 N/A LYS 588.A N HIS 584.A O no hydrogen 2.928 N/A SER 590.A OG GLU 586.A O no hydrogen 2.326 N/A GLU 591.A N GLN 592.A OE1 no hydrogen 3.253 N/A CYS 596.A SG ASN 597.A OD1 no hydrogen 3.699 N/A ASN 597.A ND2 ASP 599.A OD2 no hydrogen 3.203 N/A GLY 600.A N ASP 598.A O no hydrogen 2.758 N/A LYS 601.A NZ ASP 599.A O no hydrogen 3.096 N/A ALA 603.A N ILE 580.A O no hydrogen 2.755 N/A VAL 609.A N LEU 625.A O no hydrogen 3.357 N/A ILE 611.A N ARG 623.A O no hydrogen 3.482 N/A LYS 613.A N THR 612.A OG1 no hydrogen 2.752 N/A LYS 613.A NZ GLY 659.A O no hydrogen 3.456 N/A LYS 613.A NZ ASP 664.A OD2 no hydrogen 2.277 N/A CYS 616.A N ASN 614.A O no hydrogen 2.817 N/A CYS 616.A SG THR 612.A OG1 no hydrogen 3.254 N/A ARG 623.A N ILE 611.A O no hydrogen 3.077 N/A ARG 623.A NH1 GLY 620.A O no hydrogen 2.944 N/A GLU 626.A N GLY 574.A O no hydrogen 2.730 N/A VAL 628.A N VAL 576.A O no hydrogen 3.349 N/A TYR 629.A OH ASP 634.A OD2 no hydrogen 2.703 N/A LEU 633.A N ASP 630.A OD1 no hydrogen 3.015 N/A ASP 634.A N ASP 630.A O no hydrogen 3.018 N/A ALA 635.A N PRO 631.A O no hydrogen 2.889 N/A ARG 636.A N GLY 632.A O no hydrogen 2.942 N/A ARG 636.A NH1 ASP 426.A OD1 no hydrogen 2.538 N/A ARG 636.A NH2 GLU 567.A OE2 no hydrogen 2.301 N/A GLY 637.A N ASP 634.A O no hydrogen 3.230 N/A CYS 641.A SG SER 410.A OG no hydrogen 3.518 N/A ARG 647.A NH2 GLU 572.A OE1 no hydrogen 2.868 N/A ARG 650.A NH1 MET 683.A O no hydrogen 3.405 N/A ARG 650.A NH2 ASN 654.A O no hydrogen 3.082 N/A GLU 655.A N PRO 651.A O no hydrogen 3.171 N/A GLU 655.A N HIS 652.A O no hydrogen 2.805 N/A CYS 656.A N PRO 653.A O no hydrogen 3.265 N/A CYS 656.A SG ASP 621.A O no hydrogen 3.809 N/A CYS 656.A SG HIS 652.A O no hydrogen 3.501 N/A CYS 656.A SG PRO 653.A O no hydrogen 3.586 N/A ASP 662.A N ASP 664.A OD1 no hydrogen 3.426 N/A GLY 663.A N ASP 664.A OD1 no hydrogen 3.301 N/A ASP 664.A N ASP 664.A OD1 no hydrogen 2.333 N/A ILE 668.A N ARG 559.A O no hydrogen 3.391 N/A THR 669.A OG1 ILE 668.A O no hydrogen 2.631 N/A LYS 673.A NZ GLU 478.A OE2 no hydrogen 2.249 N/A LEU 674.A N ASP 671.A O no hydrogen 2.637 N/A MET 683.A N ALA 681.A O no hydrogen 2.600 N/A HIS 690.A ND1 ALA 691.A O no hydrogen 2.933 N/A GLU 696.A N THR 693.A O no hydrogen 3.150 N/A ILE 697.A N THR 693.A O no hydrogen 3.305 N/A GLN 698.A N LEU 694.A O no hydrogen 2.917 N/A LYS 699.A N GLU 695.A O no hydrogen 2.872 N/A HIS 700.A N GLU 696.A O no hydrogen 2.913 N/A HIS 700.A ND1 SER 703.A OG no hydrogen 3.237 N/A PHE 701.A N ILE 697.A O no hydrogen 2.903 N/A VAL 702.A N GLN 698.A O no hydrogen 2.933 N/A SER 703.A N LYS 699.A O no hydrogen 2.850 N/A SER 703.A N HIS 700.A O no hydrogen 3.051 N/A SER 703.A OG HIS 700.A O no hydrogen 2.429 N/A TYR 704.A N HIS 700.A O no hydrogen 2.953 N/A ILE 706.A N SER 703.A O no hydrogen 3.004 N/A ASN 707.A N TYR 704.A O no hydrogen 3.165 N/A THR 709.A OG1 ALA 743.A O no hydrogen 2.396 N/A THR 709.A OG1 VAL 744.A O no hydrogen 2.576 N/A ALA 712.A N THR 709.A O no hydrogen 2.928 N/A SER 714.A N LEU 710.A O no hydrogen 2.955 N/A THR 715.A N GLY 711.A O no hydrogen 2.908 N/A THR 715.A OG1 GLY 711.A O no hydrogen 2.758 N/A ALA 716.A N ALA 712.A O no hydrogen 2.943 N/A HIS 717.A N ILE 713.A O no hydrogen 2.916 N/A LEU 718.A N SER 714.A O no hydrogen 2.903 N/A ILE 719.A N THR 715.A O no hydrogen 2.972 N/A HIS 720.A N ALA 716.A O no hydrogen 2.918 N/A ALA 721.A N HIS 717.A O no hydrogen 2.878 N/A ASP 722.A N LEU 718.A O no hydrogen 2.922 N/A ARG 723.A N LEU 718.A O no hydrogen 3.461 N/A ARG 723.A N ILE 719.A O no hydrogen 2.984 N/A LYS 727.A NZ THR 472.A O no hydrogen 2.419 N/A GLN 735.A N PRO 731.A O no hydrogen 2.894 N/A LEU 736.A N GLU 732.A O no hydrogen 2.920 N/A ALA 737.A N CYS 733.A O no hydrogen 2.887 N/A ALA 738.A N VAL 734.A O no hydrogen 2.898 N/A LEU 739.A N GLN 735.A O no hydrogen 2.887 N/A HIS 740.A N LEU 736.A O no hydrogen 2.891 N/A SER 741.A OG ALA 737.A O no hydrogen 3.371 N/A SER 741.A OG ALA 738.A O no hydrogen 2.452 N/A ARG 773.A NH2 ARG 762.A O no hydrogen 2.846 N/A TYR 776.A OH ASN 779.A OD1 no hydrogen 2.717 N/A LEU 785.A N VAL 781.A O no hydrogen 2.866 N/A TYR 786.A N LEU 782.A O no hydrogen 2.904 N/A TYR 786.A OH THR 549.A O no hydrogen 2.621 N/A ARG 787.A N GLY 783.A O no hydrogen 2.907 N/A GLU 793.A N GLU 793.A OE2 no hydrogen 2.462 N/A ALA 794.A N GLU 790.A O no hydrogen 2.886 N/A TYR 795.A N ARG 791.A O no hydrogen 2.952 N/A TYR 795.A OH ARG 810.A O no hydrogen 2.683 N/A ALA 796.A N TYR 792.A O no hydrogen 2.866 N/A GLU 797.A N GLU 793.A O no hydrogen 2.896 N/A ARG 798.A N ALA 794.A O no hydrogen 2.934 N/A LEU 799.A N TYR 795.A O no hydrogen 2.881 N/A GLY 800.A N ALA 796.A O no hydrogen 2.871 N/A ALA 801.A N GLU 797.A O no hydrogen 2.895 N/A LEU 802.A N ARG 798.A O no hydrogen 2.938 N/A MET 803.A N LEU 799.A O no hydrogen 2.890 N/A TYR 805.A N THR 804.A OG1 no hydrogen 2.593 N/A LEU 815.A N GLU 811.A O no hydrogen 2.922 N/A THR 816.A N ASP 812.A O no hydrogen 2.916 N/A THR 816.A OG1 ASP 812.A O no hydrogen 2.321 N/A ASN 830.A N LEU 826.A O no hydrogen 2.886 N/A GLU 835.A N GLU 835.A OE1 no hydrogen 2.517 N/A LYS 837.A N TYR 833.A O no hydrogen 2.955 N/A LYS 837.A NZ GLY 817.A O no hydrogen 3.054 N/A LYS 837.A NZ ASN 818.A OD1 no hydrogen 3.173 N/A ASP 838.A N PHE 834.A O no hydrogen 2.890 N/A ARG 839.A N GLU 835.A O no hydrogen 2.950 N/A ILE 840.A N MET 836.A O no hydrogen 2.953 N/A ILE 841.A N LYS 837.A O no hydrogen 2.905 N/A ALA 842.A N ASP 838.A O no hydrogen 2.886 N/A ALA 843.A N ARG 839.A O no hydrogen 2.936 N/A VAL 844.A N ILE 840.A O no hydrogen 2.943 N/A ASP 845.A N ILE 841.A O no hydrogen 2.881 N/A ALA 846.A N ALA 842.A O no hydrogen 2.920 N/A LEU 847.A N ALA 843.A O no hydrogen 2.936 N/A HIS 848.A N VAL 844.A O no hydrogen 2.875 N/A ALA 849.A N ASP 845.A O no hydrogen 2.863 N/A GLU 850.A N ALA 846.A O no hydrogen 2.921 N/A VAL 851.A N LEU 847.A O no hydrogen 2.954 N/A ARG 852.A N HIS 848.A O no hydrogen 2.879 N/A GLY 853.A N ALA 849.A O no hydrogen 2.858 N/A TRP 854.A N GLU 850.A O no hydrogen 2.939 N/A SER 859.A OG ARG 856.A O no hydrogen 2.606 N/A TRP 861.A N ALA 858.A O no hydrogen 3.270 N/A TYR 862.A N ALA 858.A O no hydrogen 2.892 N/A TYR 862.A N SER 859.A O no hydrogen 2.823 N/A HIS 863.A N SER 859.A O no hydrogen 2.871 N/A HIS 863.A ND1 THR 865.A OG1 no hydrogen 3.308 N/A THR 865.A OG1 HIS 863.A ND1 no hydrogen 3.308 N/A THR 865.A OG1 HIS 863.A O no hydrogen 2.715 N/A ASP 869.A N HIS 867.A O no hydrogen 2.461 N/A LYS 874.A N ARG 871.A O no hydrogen 3.407 N/A ARG 875.A NH1 SER 878.A O no hydrogen 2.739 N/A ARG 875.A NH2 SER 878.A O no hydrogen 2.757 N/A CYS 884.A SG ILE 883.A O no hydrogen 3.068 N/A ALA 893.A N ALA 889.A O no hydrogen 2.929 N/A