Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w84_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG SER 2.A O no hydrogen 2.306 N/A ARG 4.A NE SER 124.A O no hydrogen 2.880 N/A ARG 4.A NH1 SER 124.A O no hydrogen 2.838 N/A ARG 4.A NH2 GLU 128.A OE1 no hydrogen 2.912 N/A ALA 6.A N ALA 32.A O no hydrogen 2.919 N/A ALA 8.A N VAL 30.A O no hydrogen 2.953 N/A ILE 11.A N VAL 114.A O no hydrogen 2.935 N/A GLY 13.A N THR 112.A O no hydrogen 2.917 N/A ASN 14.A N GLU 22.A O no hydrogen 2.880 N/A ARG 15.A NH2 GLU 18.A OE2 no hydrogen 3.229 N/A VAL 16.A N GLU 20.A O no hydrogen 2.584 N/A GLU 22.A N ASN 14.A O no hydrogen 2.883 N/A ALA 24.A N LEU 12.A O no hydrogen 2.929 N/A ARG 31.A N TYR 44.A O no hydrogen 2.911 N/A ALA 32.A N ALA 6.A O no hydrogen 2.881 N/A GLU 33.A N ASP 42.A O no hydrogen 2.905 N/A ILE 35.A N ARG 40.A O no hydrogen 2.931 N/A ARG 39.A N PRO 36.A O no hydrogen 2.935 N/A ARG 40.A N ILE 35.A O no hydrogen 2.940 N/A VAL 41.A N VAL 56.A O no hydrogen 2.881 N/A ASP 42.A N GLU 33.A O no hydrogen 2.883 N/A LEU 43.A N LEU 54.A O no hydrogen 2.896 N/A TYR 44.A N ARG 31.A O no hydrogen 2.889 N/A LEU 45.A N TYR 52.A O no hydrogen 2.893 N/A SER 49.A N ASP 48.A OD1 no hydrogen 2.920 N/A GLN 50.A N HIS 47.A O no hydrogen 2.953 N/A TYR 52.A N LEU 45.A O no hydrogen 2.870 N/A LYS 53.A N HIS 86.A O no hydrogen 2.886 N/A LYS 53.A NZ HIS 86.A ND1 no hydrogen 3.100 N/A LEU 54.A N LEU 43.A O no hydrogen 2.893 N/A GLU 55.A N ARG 84.A O no hydrogen 2.898 N/A VAL 56.A N VAL 41.A O no hydrogen 2.936 N/A LEU 57.A N ASP 60.A OD2 no hydrogen 3.463 N/A ASN 62.A N GLN 78.A O no hydrogen 2.886 N/A ASN 62.A ND2 GLN 78.A OE1 no hydrogen 3.096 N/A CYS 64.A SG GLU 63.A O no hydrogen 3.139 N/A GLY 71.A N ASP 70.A OD1 no hydrogen 2.564 N/A ALA 74.A N GLY 66.A O no hydrogen 2.894 N/A ILE 75.A N LEU 115.A O no hydrogen 2.892 N/A LEU 77.A N LEU 113.A O no hydrogen 2.876 N/A GLN 78.A NE2 THR 216.A OG1 no hydrogen 2.902 N/A LEU 79.A N SER 111.A O no hydrogen 3.372 N/A THR 80.A N ASP 60.A O no hydrogen 2.939 N/A THR 80.A OG1 ASP 60.A O no hydrogen 2.563 N/A ARG 84.A N GLU 55.A O no hydrogen 2.919 N/A ARG 84.A NH2 ASP 293.A OD1 no hydrogen 3.016 N/A HIS 86.A N LYS 53.A O no hydrogen 2.903 N/A SER 90.A OG ALA 94.A O no hydrogen 3.178 N/A THR 93.A OG1 THR 93.A O no hydrogen 2.513 N/A THR 102.A OG1 ASP 100.A OD1 no hydrogen 2.840 N/A ASN 104.A N ASN 104.A OD1 no hydrogen 2.410 N/A SER 105.A OG ASN 104.A O no hydrogen 2.797 N/A SER 105.A OG SER 105.A O no hydrogen 2.403 N/A SER 106.A N THR 102.A OG1 no hydrogen 3.000 N/A PHE 107.A N THR 102.A OG1 no hydrogen 3.307 N/A CYS 110.A N SER 106.A O no hydrogen 3.455 N/A CYS 110.A SG SER 106.A O no hydrogen 3.964 N/A SER 111.A OG LEU 79.A O no hydrogen 3.249 N/A SER 111.A OG SER 111.A O no hydrogen 2.321 N/A THR 112.A N GLY 13.A O no hydrogen 2.934 N/A THR 112.A OG1 GLY 13.A O no hydrogen 2.314 N/A LEU 113.A N LEU 77.A O no hydrogen 2.900 N/A VAL 114.A N ILE 11.A O no hydrogen 2.850 N/A LEU 115.A N ILE 75.A O no hydrogen 2.942 N/A LYS 116.A NZ LEU 117.A O no hydrogen 2.392 N/A SER 118.A OG SER 118.A O no hydrogen 2.456 N/A ALA 121.A N SER 118.A O no hydrogen 2.303 N/A SER 122.A N SER 118.A O no hydrogen 2.523 N/A SER 122.A OG SER 122.A O no hydrogen 2.414 N/A SER 124.A OG VAL 123.A O no hydrogen 2.742 N/A SER 129.A OG GLU 128.A OE2 no hydrogen 3.172 N/A SER 133.A OG PRO 131.A O no hydrogen 3.358 N/A ILE 141.A N LEU 21.A O no hydrogen 2.506 N/A SER 143.A OG ALA 142.A O no hydrogen 2.377 N/A SER 151.A OG SER 150.A O no hydrogen 2.718 N/A VAL 153.A N SER 150.A O no hydrogen 3.155 N/A VAL 157.A N ASN 174.A OD1 no hydrogen 2.905 N/A PHE 163.A N PRO 160.A O no hydrogen 3.295 N/A SER 164.A OG SER 164.A O no hydrogen 2.397 N/A LEU 170.A N PRO 166.A O no hydrogen 3.414 N/A PHE 171.A N TYR 167.A O no hydrogen 2.904 N/A ARG 172.A N GLU 168.A O no hydrogen 2.880 N/A ARG 172.A NE GLU 168.A OE2 no hydrogen 3.156 N/A ARG 172.A NH2 GLU 168.A OE2 no hydrogen 3.394 N/A LEU 173.A N VAL 169.A O no hydrogen 2.856 N/A ASN 174.A N LEU 170.A O no hydrogen 2.928 N/A ASN 174.A ND2 VAL 157.A O no hydrogen 2.984 N/A ASN 174.A ND2 LEU 170.A O no hydrogen 3.027 N/A SER 175.A N PHE 171.A O no hydrogen 2.883 N/A SER 175.A OG PHE 171.A O no hydrogen 3.063 N/A SER 175.A OG ARG 172.A O no hydrogen 2.561 N/A LEU 176.A N ARG 172.A O no hydrogen 2.877 N/A VAL 177.A N LEU 173.A O no hydrogen 2.908 N/A HIS 178.A N ASN 174.A O no hydrogen 2.902 N/A HIS 178.A NE2 PRO 155.A O no hydrogen 2.897 N/A MET 179.A N SER 175.A O no hydrogen 2.900 N/A GLY 180.A N LEU 176.A O no hydrogen 3.233 N/A GLY 180.A N VAL 177.A O no hydrogen 3.325 N/A LYS 181.A N LEU 176.A O no hydrogen 3.186 N/A LYS 181.A NZ LEU 213.A O no hydrogen 3.392 N/A LEU 182.A N LEU 176.A O no hydrogen 3.414 N/A ARG 185.A NE ARG 185.A O no hydrogen 2.940 N/A LEU 191.A N ASN 188.A OD1 no hydrogen 2.872 N/A PHE 192.A N ASN 188.A O no hydrogen 3.471 N/A LYS 193.A N ALA 189.A O no hydrogen 2.898 N/A VAL 194.A N ASP 190.A O no hydrogen 2.934 N/A LEU 195.A N LEU 191.A O no hydrogen 2.921 N/A GLU 196.A N PHE 192.A O no hydrogen 2.873 N/A ASP 197.A N LYS 193.A O no hydrogen 2.954 N/A LEU 198.A N LEU 195.A O no hydrogen 3.196 N/A SER 199.A OG THR 202.A OG1 no hydrogen 2.463 N/A THR 202.A N SER 199.A OG no hydrogen 3.238 N/A THR 202.A OG1 SER 199.A OG no hydrogen 2.463 N/A ARG 204.A N ILE 200.A O no hydrogen 2.904 N/A ARG 205.A N ASP 201.A O no hydrogen 2.909 N/A ILE 206.A N THR 202.A O no hydrogen 2.920 N/A PHE 207.A N LEU 203.A O no hydrogen 2.930 N/A GLU 208.A N ARG 204.A O no hydrogen 2.929 N/A LYS 209.A N ARG 205.A O no hydrogen 2.919 N/A LYS 209.A NZ GLU 227.A OE2 no hydrogen 2.676 N/A MET 210.A N ILE 206.A O no hydrogen 2.908 N/A SER 211.A N PHE 207.A O no hydrogen 2.884 N/A SER 211.A OG PHE 207.A O no hydrogen 2.568 N/A SER 211.A OG GLU 208.A O no hydrogen 2.585 N/A LYS 212.A N LYS 209.A O no hydrogen 3.251 N/A SER 215.A OG GLU 63.A OE2 no hydrogen 3.564 N/A THR 216.A OG1 GLY 180.A O no hydrogen 3.434 N/A CYS 217.A N LYS 181.A O no hydrogen 2.907 N/A PHE 223.A N GLU 219.A O no hydrogen 3.160 N/A ILE 224.A N PRO 220.A O no hydrogen 2.904 N/A ARG 225.A N LEU 221.A O no hydrogen 2.940 N/A HIS 226.A N GLN 222.A O no hydrogen 2.912 N/A GLU 227.A N PHE 223.A O no hydrogen 2.958 N/A ALA 228.A N ILE 224.A O no hydrogen 2.892 N/A HIS 229.A N ARG 225.A O no hydrogen 2.938 N/A SER 230.A N HIS 226.A O no hydrogen 2.869 N/A MET 231.A N GLU 227.A O no hydrogen 2.714 N/A MET 233.A N SER 230.A O no hydrogen 2.898 N/A ARG 234.A NE LYS 235.A O no hydrogen 3.353 N/A ARG 234.A NH1 LYS 235.A O no hydrogen 3.422 N/A LYS 235.A NZ GLU 872.A OE2 no hydrogen 3.516 N/A LYS 246.A N SER 244.A O no hydrogen 3.035 N/A CYS 250.A N GLU 266.A O no hydrogen 2.882 N/A HIS 254.A N TYR 261.A O no hydrogen 2.884 N/A ILE 255.A N THR 288.A O no hydrogen 3.298 N/A THR 256.A OG1 LYS 259.A O no hydrogen 2.337 N/A SER 258.A N THR 256.A OG1 no hydrogen 3.364 N/A LYS 259.A N THR 256.A OG1 no hydrogen 2.615 N/A LYS 259.A NZ GLY 108.A O no hydrogen 3.215 N/A ILE 260.A N VAL 154.A O no hydrogen 2.993 N/A TYR 261.A N HIS 254.A O no hydrogen 2.897 N/A CYS 262.A N HIS 178.A ND1 no hydrogen 2.999 N/A GLU 266.A N CYS 250.A O no hydrogen 2.952 N/A GLU 268.A N MET 248.A O no hydrogen 2.862 N/A VAL 269.A N GLU 268.A OE2 no hydrogen 3.161 N/A ASN 271.A N ASN 271.A OD1 no hydrogen 2.509 N/A TYR 276.A N TYR 272.A O no hydrogen 2.896 N/A HIS 277.A N VAL 273.A O no hydrogen 2.933 N/A ALA 281.A N SER 278.A O no hydrogen 2.896 N/A ASP 283.A N TYR 280.A O no hydrogen 2.895 N/A ALA 285.A N MET 355.A O no hydrogen 2.902 N/A THR 288.A N ILE 253.A O no hydrogen 2.865 N/A THR 288.A OG1 ASN 351.A O no hydrogen 2.972 N/A ASP 291.A N SER 295.A O no hydrogen 2.937 N/A GLU 292.A N ASP 291.A OD1 no hydrogen 2.486 N/A SER 295.A OG ASP 293.A OD1 no hydrogen 2.462 N/A LYS 296.A NZ ARG 349.A O no hydrogen 3.330 N/A ASN 300.A ND2 SER 303.A O no hydrogen 3.012 N/A ALA 301.A N SER 298.A O no hydrogen 2.929 N/A SER 303.A OG LEU 302.A O no hydrogen 2.907 N/A SER 303.A OG PRO 314.A O no hydrogen 2.726 N/A GLY 309.A N THR 306.A O no hydrogen 2.836 N/A PHE 310.A N GLU 307.A O no hydrogen 3.320 N/A LYS 316.A N SER 303.A OG no hydrogen 2.992 N/A THR 317.A OG1 ARG 97.A O no hydrogen 3.002 N/A THR 317.A OG1 ALA 301.A O no hydrogen 3.071 N/A TYR 320.A N THR 317.A O no hydrogen 2.573 N/A ARG 322.A N GLY 318.A O no hydrogen 2.896 N/A ILE 323.A N LEU 319.A O no hydrogen 2.919 N/A LEU 324.A N TYR 320.A O no hydrogen 2.916 N/A SER 325.A N HIS 321.A O no hydrogen 2.878 N/A ILE 326.A N ARG 322.A O no hydrogen 2.929 N/A LEU 327.A N ILE 323.A O no hydrogen 2.921 N/A LYS 328.A N LEU 324.A O no hydrogen 2.908 N/A GLU 329.A N SER 325.A O no hydrogen 2.918 N/A PHE 331.A N TYR 338.A O no hydrogen 3.375 N/A CYS 332.A N SER 151.A OG no hydrogen 2.962 N/A ILE 333.A N LYS 336.A O no hydrogen 2.926 N/A LYS 336.A N ILE 333.A O no hydrogen 3.355 N/A LYS 336.A NZ ASP 283.A OD2 no hydrogen 2.713 N/A TYR 338.A N PHE 331.A O no hydrogen 2.903 N/A TYR 338.A OH TYR 167.A OH no hydrogen 2.485 N/A GLU 339.A N PHE 356.A O no hydrogen 2.393 N/A LEU 341.A N TRP 354.A O no hydrogen 2.848 N/A ALA 342.A N TRP 354.A O no hydrogen 2.976 N/A LEU 348.A N SER 344.A O no hydrogen 2.520 N/A ARG 349.A N ALA 345.A O no hydrogen 2.919 N/A ARG 349.A NE ALA 345.A O no hydrogen 3.133 N/A GLY 350.A N SER 346.A O no hydrogen 2.825 N/A ASN 351.A N LEU 348.A O no hydrogen 3.478 N/A SER 352.A N GLN 347.A O no hydrogen 2.750 N/A SER 352.A OG GLN 347.A OE1 no hydrogen 2.301 N/A VAL 353.A N VAL 287.A O no hydrogen 2.860 N/A TRP 354.A N ALA 342.A O no hydrogen 2.867 N/A MET 355.A N ALA 285.A O no hydrogen 2.925 N/A PHE 356.A N GLU 339.A O no hydrogen 2.602 N/A SER 358.A OG THR 363.A OG1 no hydrogen 3.348 N/A ASN 359.A N LEU 362.A O no hydrogen 2.952 N/A ASN 359.A ND2 ALA 357.A O no hydrogen 3.228 N/A SER 361.A N ASN 359.A OD1 no hydrogen 3.191 N/A SER 361.A OG TYR 280.A OH no hydrogen 2.489 N/A SER 361.A OG SER 361.A O no hydrogen 2.329 N/A THR 363.A OG1 SER 358.A OG no hydrogen 3.348 N/A ILE 367.A N THR 363.A O no hydrogen 2.967 N/A ARG 368.A N ALA 364.A O no hydrogen 2.920 N/A ARG 368.A NE LEU 341.A O no hydrogen 3.103 N/A ARG 368.A NH2 PHE 340.A O no hydrogen 3.475 N/A ARG 369.A N GLU 365.A O no hydrogen 2.914 N/A TRP 370.A N ASN 366.A O no hydrogen 2.898 N/A MET 371.A N ILE 367.A O no hydrogen 2.921 N/A HIS 373.A N GLU 483.A O no hydrogen 3.206 N/A GLU 375.A N GLU 375.A OE1 no hydrogen 2.501 N/A ARG 378.A NH2 GLU 375.A O no hydrogen 3.516 N/A CYS 383.A N SER 379.A O no hydrogen 3.387 N/A ALA 384.A N VAL 380.A O no hydrogen 2.898 N/A ALA 385.A N SER 381.A O no hydrogen 2.931 N/A ARG 386.A N LYS 382.A O no hydrogen 2.897 N/A MET 387.A N CYS 383.A O no hydrogen 2.906 N/A GLY 388.A N ALA 384.A O no hydrogen 2.935 N/A GLN 389.A N ALA 385.A O no hydrogen 2.898 N/A GLN 389.A N ARG 386.A O no hydrogen 3.241 N/A PHE 391.A N GLY 388.A O no hydrogen 2.711 N/A SER 394.A N SER 270.A O no hydrogen 3.319 N/A SER 394.A OG SER 392.A O no hydrogen 2.413 N/A ARG 395.A N ILE 491.A O no hydrogen 3.440 N/A ARG 395.A NH1 ILE 441.A O no hydrogen 2.221 N/A GLN 396.A NE2 SER 270.A O no hydrogen 3.655 N/A PHE 398.A N THR 397.A OG1 no hydrogen 2.643 N/A VAL 400.A N THR 487.A O no hydrogen 2.517 N/A VAL 413.A N TYR 420.A O no hydrogen 2.920 N/A THR 415.A N THR 418.A O no hydrogen 2.917 N/A THR 415.A OG1 ASP 416.A OD2 no hydrogen 2.713 N/A THR 418.A OG1 THR 415.A O no hydrogen 3.102 N/A THR 418.A OG1 ASP 416.A O no hydrogen 3.449 N/A TYR 420.A N VAL 413.A O no hydrogen 2.910 N/A PHE 422.A N ILE 411.A O no hydrogen 2.740 N/A SER 423.A OG SER 423.A O no hydrogen 2.313 N/A GLY 427.A N VAL 462.A O no hydrogen 2.889 N/A LYS 428.A NZ THR 468.A OG1 no hydrogen 3.091 N/A SER 430.A N ASN 472.A O no hydrogen 3.009 N/A ARG 432.A N SER 430.A OG no hydrogen 2.816 N/A PHE 433.A N SER 430.A OG no hydrogen 3.400 N/A ALA 434.A N SER 430.A O no hydrogen 3.046 N/A ARG 435.A N THR 431.A O no hydrogen 2.877 N/A GLN 436.A N ARG 432.A O no hydrogen 2.981 N/A VAL 437.A N PHE 433.A O no hydrogen 2.919 N/A ALA 438.A N ALA 434.A O no hydrogen 2.892 N/A LYS 439.A N ARG 435.A O no hydrogen 2.901 N/A LEU 440.A N GLN 436.A O no hydrogen 2.995 N/A ILE 441.A N ALA 438.A O no hydrogen 3.391 N/A GLY 442.A N LYS 439.A O no hydrogen 3.478 N/A LEU 443.A N ALA 438.A O no hydrogen 3.133 N/A HIS 447.A N ASP 444.A O no hydrogen 3.049 N/A SER 450.A OG ILE 679.A O no hydrogen 2.977 N/A PHE 452.A N ILE 463.A O no hydrogen 2.871 N/A ILE 454.A N GLY 461.A O no hydrogen 2.889 N/A TYR 456.A N TYR 459.A O no hydrogen 2.905 N/A TYR 459.A N TYR 456.A O no hydrogen 2.866 N/A LYS 460.A NZ ASP 702.A O no hydrogen 2.910 N/A GLY 461.A N ILE 454.A O no hydrogen 2.958 N/A ILE 463.A N PHE 452.A O no hydrogen 2.905 N/A THR 464.A N GLY 427.A O no hydrogen 2.771 N/A ILE 465.A N SER 450.A O no hydrogen 2.753 N/A ASP 466.A N ILE 429.A O no hydrogen 3.166 N/A THR 468.A N ASP 466.A OD2 no hydrogen 3.217 N/A THR 468.A OG1 ASP 466.A OD2 no hydrogen 2.234 N/A PHE 470.A N SER 469.A OG no hydrogen 2.446 N/A ASN 472.A ND2 ASP 404.A OD2 no hydrogen 2.809 N/A SER 474.A OG LEU 475.A O no hydrogen 2.880 N/A ARG 476.A NE ILE 426.A O no hydrogen 2.906 N/A SER 478.A OG ASP 424.A OD1 no hydrogen 2.844 N/A MET 479.A N ARG 476.A O no hydrogen 3.167 N/A LYS 481.A N GLY 458.A O no hydrogen 2.683 N/A LYS 481.A NZ SER 478.A O no hydrogen 2.740 N/A LYS 481.A NZ MET 479.A O no hydrogen 3.395 N/A PHE 482.A N GLY 458.A O no hydrogen 3.467 N/A SER 484.A OG MET 371.A O no hydrogen 2.260 N/A SER 486.A N SER 484.A OG no hydrogen 3.307 N/A THR 487.A OG1 GLU 399.A OE2 no hydrogen 2.683 N/A ASN 490.A N ARG 455.A O no hydrogen 3.372 N/A ASN 493.A N GLN 453.A O no hydrogen 3.036 N/A ASN 493.A ND2 TRP 494.A O no hydrogen 2.494 N/A SER 495.A N ALA 451.A O no hydrogen 3.249 N/A SER 495.A OG ASP 680.A OD1 no hydrogen 2.589 N/A SER 495.A OG ASP 680.A OD2 no hydrogen 3.566 N/A LYS 496.A NZ TRP 494.A O no hydrogen 3.131 N/A GLN 498.A N LYS 496.A O no hydrogen 2.707 N/A CYS 500.A SG VAL 595.A O no hydrogen 3.291 N/A TYR 501.A OH LYS 547.A O no hydrogen 2.971 N/A ARG 504.A NH1 THR 589.A O no hydrogen 2.885 N/A ARG 504.A NH2 THR 589.A O no hydrogen 2.441 N/A ILE 507.A N ASN 503.A O no hydrogen 2.988 N/A SER 508.A N ARG 504.A O no hydrogen 2.907 N/A SER 508.A OG ARG 504.A O no hydrogen 2.812 N/A SER 508.A OG GLU 505.A O no hydrogen 2.452 N/A LEU 509.A N GLU 505.A O no hydrogen 2.910 N/A LEU 510.A N ILE 506.A O no hydrogen 2.901 N/A SER 511.A N ILE 507.A O no hydrogen 2.898 N/A THR 512.A N SER 508.A O no hydrogen 2.933 N/A THR 512.A OG1 LEU 771.A O no hydrogen 2.531 N/A LEU 513.A N LEU 510.A O no hydrogen 3.201 N/A LYS 516.A NZ GLY 514.A O no hydrogen 3.110 N/A GLU 521.A N ASP 517.A O no hydrogen 2.939 N/A SER 522.A N GLU 518.A O no hydrogen 2.888 N/A MET 523.A N VAL 519.A O no hydrogen 2.912 N/A GLN 524.A N PHE 520.A O no hydrogen 2.946 N/A GLN 525.A N GLU 521.A O no hydrogen 2.876 N/A ASP 526.A N SER 522.A O no hydrogen 2.899 N/A ASP 527.A N MET 523.A O no hydrogen 2.955 N/A MET 528.A N GLN 524.A O no hydrogen 2.915 N/A HIS 529.A N GLN 525.A O no hydrogen 2.933 N/A GLU 530.A N ASP 526.A O no hydrogen 2.922 N/A SER 531.A N ASP 527.A O no hydrogen 2.896 N/A SER 531.A OG ASP 527.A O no hydrogen 2.695 N/A SER 531.A OG MET 528.A O no hydrogen 2.772 N/A ASP 532.A N MET 528.A O no hydrogen 2.902 N/A GLY 533.A N HIS 529.A O no hydrogen 2.925 N/A MET 534.A N GLU 530.A O no hydrogen 2.962 N/A MET 534.A N SER 531.A O no hydrogen 3.185 N/A LEU 535.A N ASP 532.A O no hydrogen 3.440 N/A THR 536.A N GLY 533.A O no hydrogen 3.216 N/A ASN 537.A N GLY 533.A O no hydrogen 3.256 N/A ALA 541.A N ASN 537.A O no hydrogen 3.288 N/A LEU 542.A N LYS 538.A O no hydrogen 2.929 N/A SER 543.A N GLU 539.A O no hydrogen 2.909 N/A SER 543.A OG GLU 530.A OE2 no hydrogen 2.262 N/A VAL 544.A N ALA 540.A O no hydrogen 2.949 N/A LEU 545.A N ALA 541.A O no hydrogen 2.893 N/A GLY 546.A N LEU 542.A O no hydrogen 2.927 N/A ILE 548.A N LEU 545.A O no hydrogen 2.967 N/A THR 553.A OG1 ILE 548.A O no hydrogen 3.014 N/A THR 553.A OG1 GLY 550.A O no hydrogen 2.659 N/A LYS 554.A N GLY 550.A O no hydrogen 3.382 N/A THR 555.A N GLY 551.A O no hydrogen 2.931 N/A THR 555.A OG1 GLY 551.A O no hydrogen 3.287 N/A THR 555.A OG1 ASP 552.A O no hydrogen 2.458 N/A ALA 556.A N ASP 552.A O no hydrogen 2.921 N/A ALA 557.A N THR 553.A O no hydrogen 2.847 N/A ASP 558.A N LYS 554.A O no hydrogen 2.953 N/A MET 559.A N THR 555.A O no hydrogen 2.919 N/A LEU 560.A N ALA 556.A O no hydrogen 2.898 N/A LEU 561.A N ALA 557.A O no hydrogen 2.892 N/A GLN 562.A N ASP 558.A O no hydrogen 2.947 N/A GLN 562.A N MET 559.A O no hydrogen 3.227 N/A GLY 563.A N LEU 560.A O no hydrogen 3.256 N/A GLU 565.A N SER 568.A OG no hydrogen 2.914 N/A SER 567.A OG GLU 565.A OE2 no hydrogen 2.306 N/A SER 568.A N GLU 565.A O no hydrogen 3.034 N/A SER 568.A OG GLU 565.A O no hydrogen 2.441 N/A GLU 569.A N GLU 565.A O no hydrogen 3.073 N/A TYR 571.A N TYR 957.A OH no hydrogen 3.146 N/A LEU 573.A N GLU 569.A O no hydrogen 3.254 N/A MET 574.A N PRO 570.A O no hydrogen 2.860 N/A ILE 575.A N TYR 571.A O no hydrogen 2.942 N/A LEU 576.A N LEU 572.A O no hydrogen 2.863 N/A LYS 577.A N LEU 573.A O no hydrogen 2.901 N/A ALA 578.A N MET 574.A O no hydrogen 2.919 N/A HIS 579.A N ILE 575.A O no hydrogen 2.914 N/A ARG 580.A N LEU 576.A O no hydrogen 2.878 N/A ARG 580.A NH2 ASP 532.A OD2 no hydrogen 3.211 N/A ALA 581.A N LYS 577.A O no hydrogen 2.912 N/A ASN 582.A N ALA 578.A O no hydrogen 2.916 N/A ARG 583.A N HIS 579.A O no hydrogen 2.892 N/A LEU 584.A N ARG 580.A O no hydrogen 2.905 N/A THR 585.A N ALA 581.A O no hydrogen 2.941 N/A THR 585.A OG1 ALA 581.A O no hydrogen 2.983 N/A THR 585.A OG1 ASN 582.A O no hydrogen 2.707 N/A ASP 586.A N ASN 582.A O no hydrogen 2.869 N/A ILE 587.A N ARG 583.A O no hydrogen 2.896 N/A ARG 588.A N LEU 584.A O no hydrogen 2.959 N/A ARG 588.A NH1 GLU 814.A OE1 no hydrogen 2.639 N/A THR 589.A N THR 585.A O no hydrogen 2.904 N/A ARG 590.A N ASP 586.A O no hydrogen 2.891 N/A CYS 591.A N ILE 587.A O no hydrogen 3.325 N/A LYS 592.A NZ ASP 586.A OD1 no hydrogen 3.481 N/A ILE 593.A N CYS 591.A O no hydrogen 2.693 N/A HIS 594.A N ASP 527.A OD1 no hydrogen 3.191 N/A ARG 599.A N ILE 708.A O no hydrogen 2.911 N/A VAL 600.A N GLN 498.A O no hydrogen 2.959 N/A LEU 601.A N PHE 706.A O no hydrogen 2.911 N/A CYS 604.A SG THR 464.A OG1 no hydrogen 3.762 N/A ASP 606.A N PHE 684.A O no hydrogen 3.196 N/A THR 608.A OG1 ASP 606.A OD2 no hydrogen 2.888 N/A CYS 609.A N ASP 606.A OD1 no hydrogen 2.529 N/A LYS 610.A N THR 608.A OG1 no hydrogen 3.345 N/A LYS 610.A NZ LYS 610.A O no hydrogen 2.265 N/A VAL 616.A N GLU 666.A O no hydrogen 3.110 N/A TYR 617.A N VAL 683.A O no hydrogen 2.945 N/A ILE 620.A N ALA 643.A O no hydrogen 2.915 N/A LYS 622.A N LYS 641.A O no hydrogen 2.654 N/A LYS 622.A NZ ASP 638.A OD1 no hydrogen 2.665 N/A LYS 622.A NZ ASP 638.A OD2 no hydrogen 3.008 N/A LYS 622.A NZ GLY 640.A O no hydrogen 3.290 N/A LYS 625.A N ASN 623.A OD1 no hydrogen 3.123 N/A LYS 625.A NZ LYS 625.A O no hydrogen 2.575 N/A LYS 625.A NZ GLU 626.A OE1 no hydrogen 3.265 N/A GLU 626.A N ASN 623.A O no hydrogen 2.939 N/A GLN 627.A N HIS 624.A O no hydrogen 3.385 N/A SER 630.A OG GLU 631.A OE2 no hydrogen 2.247 N/A GLN 632.A NE2 TYR 629.A O no hydrogen 3.363 N/A CYS 636.A N VAL 644.A O no hydrogen 2.903 N/A ASN 637.A ND2 TYR 669.A OH no hydrogen 2.841 N/A ASP 638.A N ASN 637.A OD1 no hydrogen 2.389 N/A ASP 639.A N THR 642.A O no hydrogen 3.149 N/A GLY 640.A N ASP 638.A OD2 no hydrogen 2.620 N/A LYS 641.A N ASP 639.A O no hydrogen 2.854 N/A ALA 643.A N ILE 620.A O no hydrogen 2.888 N/A VAL 646.A N PHE 634.A O no hydrogen 3.328 N/A VAL 649.A N LEU 665.A O no hydrogen 2.907 N/A ALA 650.A N THR 709.A O no hydrogen 2.919 N/A ILE 651.A N ARG 663.A O no hydrogen 2.923 N/A THR 652.A N PHE 707.A O no hydrogen 2.918 N/A THR 652.A OG1 LYS 653.A O no hydrogen 3.486 N/A LYS 653.A NZ ASP 704.A OD1 no hydrogen 2.796 N/A ASN 654.A N ASN 654.A OD1 no hydrogen 2.539 N/A HIS 658.A N ASP 661.A OD1 no hydrogen 2.474 N/A ASP 661.A N HIS 658.A O no hydrogen 3.035 N/A ARG 663.A N ILE 651.A O no hydrogen 2.873 N/A ARG 663.A NE VAL 662.A O no hydrogen 3.327 N/A ARG 663.A NH1 GLU 695.A OE1 no hydrogen 2.791 N/A LEU 665.A N VAL 649.A O no hydrogen 2.904 N/A VAL 668.A N VAL 616.A O no hydrogen 3.394 N/A LEU 673.A N ASP 670.A OD2 no hydrogen 2.437 N/A ASP 674.A N ASP 670.A O no hydrogen 2.929 N/A ALA 675.A N PRO 671.A O no hydrogen 2.896 N/A ARG 676.A N GLY 672.A O no hydrogen 2.918 N/A ARG 676.A NE ASP 466.A OD1 no hydrogen 3.331 N/A ARG 676.A NH2 ASP 466.A OD1 no hydrogen 2.489 N/A GLY 677.A N ASP 674.A O no hydrogen 3.029 N/A ASP 680.A N ARG 619.A O no hydrogen 2.458 N/A CYS 681.A SG SER 450.A OG no hydrogen 3.192 N/A VAL 683.A N TYR 617.A O no hydrogen 2.872 N/A PHE 684.A N CYS 604.A O no hydrogen 3.361 N/A ARG 687.A NE CYS 609.A O no hydrogen 3.058 N/A ARG 687.A NH1 CYS 609.A O no hydrogen 2.295 N/A ARG 690.A NH2 ASN 694.A O no hydrogen 3.082 N/A ARG 690.A NH2 MET 723.A O no hydrogen 2.620 N/A GLU 695.A N HIS 692.A O no hydrogen 2.763 N/A CYS 696.A N PRO 693.A O no hydrogen 2.830 N/A CYS 696.A SG HIS 692.A O no hydrogen 3.930 N/A CYS 696.A SG PRO 693.A O no hydrogen 3.199 N/A SER 697.A OG PRO 655.A O no hydrogen 3.074 N/A LEU 705.A N ASP 704.A OD2 no hydrogen 2.424 N/A PHE 706.A N LEU 601.A O no hydrogen 2.865 N/A ILE 708.A N ARG 599.A O no hydrogen 2.914 N/A THR 709.A N ALA 650.A O no hydrogen 2.913 N/A THR 709.A OG1 LYS 597.A O no hydrogen 2.700 N/A ASP 711.A N THR 709.A OG1 no hydrogen 3.367 N/A LYS 713.A N ASP 711.A OD2 no hydrogen 2.805 N/A LYS 713.A NZ ASP 711.A OD1 no hydrogen 3.217 N/A LEU 714.A N ASP 711.A O no hydrogen 3.014 N/A ILE 715.A N ASP 711.A O no hydrogen 3.300 N/A ARG 729.A NH1 ARG 729.A O no hydrogen 2.257 N/A GLU 741.A N THR 738.A O no hydrogen 3.080 N/A GLN 743.A N LEU 739.A O no hydrogen 2.948 N/A LYS 744.A N GLU 740.A O no hydrogen 2.899 N/A HIS 745.A N GLU 741.A O no hydrogen 2.929 N/A PHE 746.A N ILE 742.A O no hydrogen 2.892 N/A VAL 747.A N GLN 743.A O no hydrogen 2.964 N/A SER 748.A N LYS 744.A O no hydrogen 2.893 N/A TYR 749.A N HIS 745.A O no hydrogen 2.897 N/A MET 750.A N PHE 746.A O no hydrogen 2.969 N/A ILE 751.A N VAL 747.A O no hydrogen 2.913 N/A ASN 752.A N SER 748.A O no hydrogen 2.933 N/A ASN 752.A N TYR 749.A O no hydrogen 3.295 N/A ASP 753.A N TYR 749.A O no hydrogen 2.795 N/A THR 754.A OG1 ASN 752.A O no hydrogen 3.506 N/A THR 754.A OG1 ALA 798.A O no hydrogen 3.397 N/A LEU 755.A N ASP 753.A OD2 no hydrogen 2.991 N/A ILE 758.A N THR 754.A O no hydrogen 2.933 N/A SER 759.A N LEU 755.A O no hydrogen 2.974 N/A SER 759.A OG GLU 505.A OE1 no hydrogen 2.949 N/A THR 760.A N GLY 756.A O no hydrogen 2.930 N/A THR 760.A OG1 GLY 756.A O no hydrogen 3.397 N/A THR 760.A OG1 ALA 757.A O no hydrogen 3.200 N/A ALA 761.A N ALA 757.A O no hydrogen 2.916 N/A HIS 762.A N ILE 758.A O no hydrogen 2.894 N/A HIS 762.A NE2 LEU 657.A O no hydrogen 2.412 N/A LEU 763.A N SER 759.A O no hydrogen 2.997 N/A ILE 764.A N THR 760.A O no hydrogen 2.890 N/A HIS 765.A N ALA 761.A O no hydrogen 2.963 N/A ALA 766.A N HIS 762.A O no hydrogen 2.883 N/A ASP 767.A N LEU 763.A O no hydrogen 2.963 N/A ARG 768.A N ILE 764.A O no hydrogen 2.930 N/A LYS 772.A NZ SER 511.A O no hydrogen 2.766 N/A LYS 772.A NZ SER 511.A OG no hydrogen 3.368 N/A ARG 774.A NE ASP 720.A OD1 no hydrogen 3.318 N/A ARG 774.A NE ASP 720.A OD2 no hydrogen 2.563 N/A ARG 774.A NH1 THR 512.A O no hydrogen 3.347 N/A ARG 774.A NH2 ASP 720.A OD1 no hydrogen 2.833 N/A GLU 777.A N SER 775.A OG no hydrogen 2.984 N/A CYS 778.A SG LEU 657.A O no hydrogen 3.841 N/A CYS 778.A SG HIS 762.A NE2 no hydrogen 3.052 N/A CYS 778.A SG ALA 773.A O no hydrogen 3.069 N/A VAL 779.A N SER 775.A O no hydrogen 2.999 N/A GLN 780.A N PRO 776.A O no hydrogen 2.932 N/A LEU 781.A N GLU 777.A O no hydrogen 2.892 N/A ALA 782.A N CYS 778.A O no hydrogen 2.856 N/A ALA 783.A N VAL 779.A O no hydrogen 2.935 N/A LEU 784.A N GLN 780.A O no hydrogen 2.926 N/A HIS 785.A N LEU 781.A O no hydrogen 2.833 N/A SER 786.A N ALA 782.A O no hydrogen 2.927 N/A MET 787.A N ALA 783.A O no hydrogen 2.933 N/A ALA 788.A N LEU 784.A O no hydrogen 2.869 N/A VAL 789.A N HIS 785.A O no hydrogen 2.899 N/A PHE 791.A N ALA 788.A O no hydrogen 3.151 N/A THR 794.A N ASP 790.A O no hydrogen 3.275 N/A THR 794.A OG1 ASP 790.A O no hydrogen 2.314 N/A THR 794.A OG1 ASP 790.A OD1 no hydrogen 2.440 N/A LEU 804.A N PRO 801.A O no hydrogen 3.009 N/A ARG 805.A NH2 MET 800.A O no hydrogen 2.541 N/A ARG 807.A NH2 GLU 808.A OE2 no hydrogen 3.146 N/A GLU 814.A N ASP 811.A O no hydrogen 3.013 N/A GLY 825.A N SER 823.A OG no hydrogen 3.143 N/A LYS 829.A N GLY 825.A O no hydrogen 3.098 N/A LYS 829.A NZ ASP 517.A OD2 no hydrogen 2.466 N/A LEU 830.A N VAL 826.A O no hydrogen 2.928 N/A TYR 831.A N LEU 827.A O no hydrogen 2.927 N/A ARG 832.A N GLY 828.A O no hydrogen 2.875 N/A ALA 833.A N LYS 829.A O no hydrogen 2.905 N/A ALA 834.A N LEU 830.A O no hydrogen 2.941 N/A LEU 835.A N TYR 831.A O no hydrogen 2.882 N/A ARG 836.A N ARG 832.A O no hydrogen 2.892 N/A HIS 837.A N ALA 833.A O no hydrogen 2.889 N/A ALA 838.A N ALA 834.A O no hydrogen 2.916 N/A ALA 839.A N LEU 835.A O no hydrogen 2.921 N/A ASP 840.A N ARG 836.A O no hydrogen 2.665 N/A ALA 841.A N HIS 837.A O no hydrogen 2.649 N/A ALA 843.A N ALA 841.A O no hydrogen 2.474 N/A ALA 847.A N LEU 844.A O no hydrogen 3.021 N/A CYS 852.A SG SER 568.A O no hydrogen 3.475 N/A LEU 858.A N ASP 855.A OD2 no hydrogen 2.560 N/A ALA 870.A N LEU 867.A O no hydrogen 3.357 N/A GLU 871.A N LEU 867.A O no hydrogen 2.902 N/A TYR 874.A N ALA 870.A O no hydrogen 2.917 N/A GLU 875.A N GLU 871.A O no hydrogen 2.899 N/A ALA 876.A N GLU 872.A O no hydrogen 2.922 N/A TYR 877.A N ARG 873.A O no hydrogen 2.968 N/A ALA 878.A N TYR 874.A O no hydrogen 2.843 N/A GLU 879.A N GLU 875.A O no hydrogen 2.911 N/A ARG 880.A N ALA 876.A O no hydrogen 2.959 N/A LEU 881.A N TYR 877.A O no hydrogen 2.922 N/A GLY 882.A N ALA 878.A O no hydrogen 2.846 N/A ALA 883.A N GLU 879.A O no hydrogen 2.907 N/A LEU 884.A N ARG 880.A O no hydrogen 2.961 N/A MET 885.A N LEU 881.A O no hydrogen 2.826 N/A THR 886.A N GLY 882.A O no hydrogen 2.892 N/A TYR 887.A N ALA 883.A O no hydrogen 2.947 N/A TYR 888.A N LEU 884.A O no hydrogen 3.310 N/A SER 889.A OG TYR 888.A O no hydrogen 2.431 N/A ALA 890.A N MET 885.A O no hydrogen 2.775 N/A GLU 891.A N GLU 895.A OE1 no hydrogen 3.115 N/A ARG 892.A N GLU 895.A OE1 no hydrogen 2.935 N/A GLU 895.A N GLU 895.A OE2 no hydrogen 2.944 N/A LEU 897.A N GLU 893.A O no hydrogen 2.889 N/A THR 898.A N ASP 894.A O no hydrogen 2.883 N/A THR 898.A OG1 ASP 894.A O no hydrogen 2.695 N/A THR 898.A OG1 GLU 895.A O no hydrogen 3.365 N/A THR 898.A OG1 ASN 900.A OD1 no hydrogen 2.558 N/A GLY 899.A N GLU 895.A O no hydrogen 3.208 N/A LYS 904.A NZ ARG 902.A O no hydrogen 2.287 N/A LEU 908.A N LEU 905.A O no hydrogen 3.393 N/A ARG 909.A N LEU 905.A O no hydrogen 3.316 N/A ARG 909.A NE LYS 904.A O no hydrogen 3.393 N/A ARG 909.A NH2 LYS 904.A O no hydrogen 3.204 N/A ARG 914.A N ASP 911.A OD2 no hydrogen 2.460 N/A PHE 916.A N ASN 912.A O no hydrogen 2.903 N/A GLU 917.A N LYS 913.A O no hydrogen 2.909 N/A MET 918.A N ARG 914.A O no hydrogen 2.882 N/A LYS 919.A N TYR 915.A O no hydrogen 2.870 N/A ASP 920.A N PHE 916.A O no hydrogen 2.889 N/A ARG 921.A N GLU 917.A O no hydrogen 2.914 N/A ILE 922.A N MET 918.A O no hydrogen 2.891 N/A ILE 923.A N LYS 919.A O no hydrogen 2.903 N/A ALA 924.A N ASP 920.A O no hydrogen 2.906 N/A ALA 925.A N ARG 921.A O no hydrogen 2.915 N/A VAL 926.A N ILE 922.A O no hydrogen 2.880 N/A ASP 927.A N ILE 923.A O no hydrogen 2.867 N/A ALA 928.A N ALA 924.A O no hydrogen 2.920 N/A LEU 929.A N ALA 925.A O no hydrogen 2.912 N/A HIS 930.A N VAL 926.A O no hydrogen 2.890 N/A ALA 931.A N ASP 927.A O no hydrogen 2.880 N/A GLU 932.A N ALA 928.A O no hydrogen 2.929 N/A VAL 933.A N LEU 929.A O no hydrogen 2.924 N/A ARG 934.A N HIS 930.A O no hydrogen 2.879 N/A GLY 935.A N ALA 931.A O no hydrogen 2.911 N/A TRP 936.A N GLU 932.A O no hydrogen 2.921 N/A LEU 937.A N VAL 933.A O no hydrogen 2.942 N/A ARG 938.A N ARG 934.A O no hydrogen 2.902 N/A ALA 939.A N GLY 935.A O no hydrogen 2.837 N/A ALA 939.A N TRP 936.A O no hydrogen 3.179 N/A CYS 940.A N LEU 937.A O no hydrogen 3.080 N/A CYS 940.A SG TRP 936.A O no hydrogen 3.447 N/A CYS 940.A SG LEU 937.A O no hydrogen 3.725 N/A GLU 942.A N GLU 942.A OE1 no hydrogen 2.746 N/A ASP 944.A N LYS 941.A O no hydrogen 2.723 N/A VAL 948.A N ASP 944.A O no hydrogen 2.916 N/A ALA 949.A N ALA 945.A O no hydrogen 2.926 N/A SER 950.A N SER 946.A O no hydrogen 2.926 N/A SER 950.A OG SER 946.A O no hydrogen 2.553 N/A SER 950.A OG ARG 947.A O no hydrogen 2.649 N/A ALA 951.A N ARG 947.A O no hydrogen 2.885 N/A TRP 952.A N VAL 948.A O no hydrogen 2.899 N/A TYR 953.A N ALA 949.A O no hydrogen 2.962 N/A HIS 954.A N SER 950.A O no hydrogen 2.893 N/A VAL 955.A N ALA 951.A O no hydrogen 2.911 N/A THR 956.A N TRP 952.A O no hydrogen 2.956 N/A THR 956.A N TYR 953.A O no hydrogen 3.160 N/A THR 956.A OG1 PHE 967.A O no hydrogen 3.244 N/A ARG 961.A N HIS 958.A O no hydrogen 2.907 N/A ARG 962.A NH2 ARG 962.A O no hydrogen 3.451 N/A LYS 965.A NZ ARG 961.A O no hydrogen 2.218 N/A TRP 968.A N GLU 893.A OE2 no hydrogen 3.106 N/A SER 969.A N GLU 893.A OE1 no hydrogen 3.401 N/A SER 969.A OG TYR 877.A OH no hydrogen 2.785 N/A ILE 973.A N PHE 970.A O no hydrogen 2.918 N/A ILE 974.A N PRO 971.A O no hydrogen 2.935 N/A CYS 975.A N TRP 972.A O no hydrogen 2.895 N/A CYS 975.A SG THR 555.A O no hydrogen 4.008 N/A THR 977.A N ILE 974.A O no hydrogen 2.912 N/A LEU 978.A N ILE 974.A O no hydrogen 3.148 N/A LEU 978.A N CYS 975.A O no hydrogen 2.910 N/A LEU 979.A N CYS 975.A O no hydrogen 3.183 N/A ILE 981.A N LEU 978.A O no hydrogen 2.929 N/A LYS 982.A NZ TYR 564.A OH no hydrogen 2.777 N/A ALA 984.A N ALA 980.A O no hydrogen 3.395 N/A ARG 985.A N ILE 981.A O no hydrogen 2.651 N/A ARG 986.A N ALA 983.A O no hydrogen 2.906 N/A ARG 986.A NH1 GLN 562.A O no hydrogen 3.545 N/A CYS 987.A SG ALA 983.A O no hydrogen 3.202 N/A