Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8oyu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ARG 3.A O no hydrogen 2.843 N/A THR 11.A N VAL 44.A O no hydrogen 2.884 N/A SER 13.A N SER 42.A O no hydrogen 3.006 N/A SER 13.A OG SER 42.A O no hydrogen 2.695 N/A PHE 14.A N ASN 12.A OD1 no hydrogen 2.979 N/A THR 15.A N GLN 196.A OE1 no hydrogen 3.354 N/A THR 15.A OG1 GLN 196.A OE1 no hydrogen 2.949 N/A ARG 16.A NE GLU 167.A OE2 no hydrogen 3.447 N/A ARG 16.A NH1 THR 15.A O no hydrogen 3.460 N/A ARG 16.A NH2 PRO 195.A O no hydrogen 2.458 N/A GLY 17.A N TYR 71.A OH no hydrogen 3.161 N/A TYR 19.A OH ASP 35.A OD2 no hydrogen 3.017 N/A TYR 19.A OH LEU 36.A O no hydrogen 2.686 N/A VAL 24.A N ASP 22.A OD1 no hydrogen 2.678 N/A SER 27.A OG SER 28.A OG no hydrogen 3.099 N/A SER 27.A OG ASN 251.A O no hydrogen 3.204 N/A SER 27.A OG GLU 252.A O no hydrogen 2.907 N/A SER 28.A N ASN 251.A O no hydrogen 2.551 N/A SER 28.A OG SER 27.A OG no hydrogen 3.099 N/A THR 33.A N PHE 246.A O no hydrogen 2.664 N/A GLN 34.A NE2 ARG 244.A O no hydrogen 3.463 N/A ASP 35.A N ARG 244.A O no hydrogen 2.752 N/A LEU 36.A N ASP 35.A OD1 no hydrogen 2.596 N/A PHE 37.A N GLN 242.A O no hydrogen 3.022 N/A PHE 41.A N PHE 14.A O no hydrogen 3.064 N/A SER 42.A N SER 13.A OG no hydrogen 2.521 N/A VAL 44.A N THR 11.A O no hydrogen 2.961 N/A THR 45.A N VAL 238.A O no hydrogen 3.127 N/A VAL 49.A N ALA 234.A O no hydrogen 2.509 N/A ASN 54.A N SER 51.A O no hydrogen 3.308 N/A GLY 55.A N GLY 52.A O no hydrogen 2.935 N/A THR 56.A N GLY 52.A O no hydrogen 2.410 N/A ARG 58.A NH1 HIS 48.A O no hydrogen 3.537 N/A ARG 58.A NH2 HIS 48.A O no hydrogen 2.910 N/A ARG 58.A NH2 ILE 50.A O no hydrogen 3.260 N/A ASP 60.A N ASP 60.A OD1 no hydrogen 2.437 N/A ASN 61.A ND2 THR 218.A O no hydrogen 2.567 N/A LEU 64.A N PHE 216.A O no hydrogen 2.967 N/A PHE 66.A N THR 214.A O no hydrogen 3.147 N/A ALA 73.A N TYR 237.A O no hydrogen 3.173 N/A ILE 75.A N ALA 235.A O no hydrogen 3.471 N/A GLU 76.A N SER 74.A OG no hydrogen 3.222 N/A LYS 77.A NZ GLU 156.A OE2 no hydrogen 2.293 N/A ILE 80.A N GLU 76.A OE1 no hydrogen 3.031 N/A PHE 86.A N LEU 97.A O no hydrogen 3.238 N/A THR 88.A OG1 ASN 212.A O no hydrogen 3.112 N/A THR 89.A OG1 THR 89.A O no hydrogen 2.448 N/A SER 92.A OG ASN 140.A OD1 no hydrogen 3.187 N/A THR 94.A OG1 ASP 91.A OD1 no hydrogen 3.092 N/A SER 96.A N CYS 111.A O no hydrogen 3.173 N/A SER 96.A OG THR 94.A O no hydrogen 3.219 N/A LEU 97.A N PHE 86.A O no hydrogen 3.192 N/A ASN 105.A N ASN 102.A O no hydrogen 3.053 N/A ASN 105.A ND2 SER 148.A O no hydrogen 3.079 N/A VAL 106.A N SER 148.A O no hydrogen 3.356 N/A ILE 108.A N TYR 146.A O no hydrogen 2.529 N/A VAL 110.A N PHE 144.A O no hydrogen 3.084 N/A LEU 121.A N LEU 220.A O no hydrogen 2.692 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.862 N/A ARG 134.A NH1 ASP 122.A OD2 no hydrogen 3.061 N/A ARG 134.A NH1 SER 131.A O no hydrogen 3.293 N/A ARG 134.A NH2 ASP 122.A OD1 no hydrogen 2.366 N/A ASN 140.A N GLU 112.A O no hydrogen 3.183 N/A ASN 140.A ND2 SER 92.A O no hydrogen 3.455 N/A CYS 142.A SG ASN 141.A O no hydrogen 3.203 N/A THR 143.A N VAL 110.A O no hydrogen 3.153 N/A TYR 146.A N ILE 108.A O no hydrogen 2.990 N/A SER 148.A OG GLN 149.A OE1 no hydrogen 2.361 N/A GLN 149.A N GLN 149.A OE1 no hydrogen 2.750 N/A LYS 158.A NZ LEU 155.A O no hydrogen 2.578 N/A LYS 163.A NZ VAL 188.A O no hydrogen 3.527 N/A LYS 163.A NZ ARG 189.A O no hydrogen 3.258 N/A ASN 164.A N GLU 76.A O no hydrogen 2.563 N/A ASN 164.A ND2 HIS 183.A NE2 no hydrogen 3.160 N/A ARG 166.A NH1 ASN 164.A OD1 no hydrogen 2.832 N/A GLU 167.A N LYS 182.A O no hydrogen 3.215 N/A PHE 168.A N PHE 72.A O no hydrogen 2.689 N/A VAL 169.A N TYR 180.A O no hydrogen 3.144 N/A LYS 171.A N LYS 178.A O no hydrogen 3.369 N/A ILE 173.A N TYR 176.A O no hydrogen 3.100 N/A TYR 176.A N ILE 173.A O no hydrogen 2.745 N/A PHE 177.A N LEU 207.A O no hydrogen 2.850 N/A LYS 178.A N LYS 171.A O no hydrogen 3.112 N/A ILE 179.A N VAL 205.A O no hydrogen 3.170 N/A TYR 180.A N VAL 169.A O no hydrogen 3.424 N/A SER 181.A OG GLU 167.A O no hydrogen 3.417 N/A LYS 182.A N GLU 167.A O no hydrogen 3.365 N/A LYS 182.A NZ HIS 183.A O no hydrogen 2.672 N/A ARG 189.A NE ILE 187.A O no hydrogen 3.247 N/A ARG 189.A NH2 ILE 186.A O no hydrogen 2.301 N/A ARG 189.A NH2 ILE 187.A O no hydrogen 2.794 N/A ASP 193.A N GLU 190.A OE1 no hydrogen 3.153 N/A SER 199.A OG GLU 167.A OE1 no hydrogen 3.521 N/A LEU 201.A N VAL 18.A O no hydrogen 2.750 N/A GLU 202.A N GLU 202.A OE2 no hydrogen 2.332 N/A LEU 204.A N ILE 179.A O no hydrogen 2.841 N/A LEU 207.A N PHE 177.A O no hydrogen 2.746 N/A ARG 215.A NH1 THR 88.A O no hydrogen 2.466 N/A PHE 216.A N LEU 64.A O no hydrogen 2.337 N/A GLN 217.A N ILE 85.A O no hydrogen 2.648 N/A GLN 217.A NE2 ASN 61.A O no hydrogen 2.733 N/A THR 218.A OG1 GLY 83.A O no hydrogen 3.268 N/A THR 218.A OG1 LEU 219.A O no hydrogen 3.479 N/A LEU 219.A N GLY 83.A O no hydrogen 3.213 N/A ALA 221.A N ILE 80.A O no hydrogen 3.162 N/A LEU 222.A N LEU 121.A O no hydrogen 2.561 N/A THR 230.A OG1 ALA 231.A O no hydrogen 3.463 N/A ALA 234.A N VAL 49.A O no hydrogen 2.367 N/A TYR 236.A N PHE 47.A O no hydrogen 3.015 N/A TYR 236.A OH ASP 60.A O no hydrogen 3.172 N/A TYR 237.A N ALA 73.A O no hydrogen 3.389 N/A TYR 237.A OH GLU 192.A O no hydrogen 3.399 N/A VAL 238.A N THR 45.A O no hydrogen 2.775 N/A TYR 240.A OH PRO 65.A O no hydrogen 2.836 N/A ARG 244.A N ASP 35.A O no hydrogen 2.733 N/A PHE 246.A N THR 33.A O no hydrogen 2.654 N/A LEU 247.A N VAL 260.A O no hydrogen 2.508 N/A LEU 248.A N HIS 31.A O no hydrogen 2.534 N/A LYS 249.A N ASP 258.A O no hydrogen 3.006 N/A TYR 250.A N VAL 29.A O no hydrogen 2.715 N/A ASN 251.A N THR 255.A O no hydrogen 3.368 N/A ASN 251.A ND2 THR 255.A OG1 no hydrogen 2.785 N/A ASN 253.A N ASN 251.A OD1 no hydrogen 2.983 N/A GLY 254.A N ASN 251.A O no hydrogen 3.525 N/A THR 255.A N ASN 251.A OD1 no hydrogen 2.892 N/A VAL 260.A N LEU 247.A O no hydrogen 2.733 N/A CYS 262.A SG THR 245.A O no hydrogen 3.532 N/A ALA 263.A N ASP 261.A OD2 no hydrogen 2.691 N/A LEU 264.A N ASP 261.A OD2 no hydrogen 2.639 N/A SER 268.A N ASP 265.A OD2 no hydrogen 3.238 N/A SER 268.A OG ASP 265.A OD1 no hydrogen 2.384 N/A GLU 269.A N ASP 265.A O no hydrogen 2.939 N/A THR 270.A N PRO 266.A O no hydrogen 2.854 N/A THR 270.A OG1 PRO 266.A O no hydrogen 2.691 N/A LYS 271.A N LEU 267.A O no hydrogen 2.911 N/A CYS 272.A N SER 268.A O no hydrogen 2.903 N/A THR 273.A N GLU 269.A O no hydrogen 2.899 N/A THR 273.A OG1 GLU 269.A O no hydrogen 3.100 N/A THR 273.A OG1 THR 270.A O no hydrogen 2.537 N/A LEU 274.A N THR 270.A O no hydrogen 2.885 N/A SER 276.A N LYS 271.A O no hydrogen 3.452 N/A SER 276.A OG THR 278.A O no hydrogen 3.015 N/A THR 278.A N SER 276.A OG no hydrogen 3.021 N/A THR 278.A OG1 SER 276.A OG no hydrogen 3.185 N/A VAL 279.A N THR 571.A OG1 no hydrogen 2.480 N/A LYS 281.A NZ ASP 632.A OD1 no hydrogen 2.510 N/A GLY 282.A N THR 568.A O no hydrogen 3.340 N/A TYR 284.A N VAL 566.A O no hydrogen 3.122 N/A TYR 284.A OH GLU 280.A O no hydrogen 3.042 N/A THR 286.A OG1 SER 287.A OG no hydrogen 3.412 N/A SER 287.A OG THR 286.A OG1 no hydrogen 3.412 N/A PHE 289.A N GLY 562.A O no hydrogen 2.613 N/A VAL 291.A N SER 560.A O no hydrogen 3.116 N/A GLN 292.A NE2 ARG 290.A O no hydrogen 3.527 N/A THR 294.A OG1 GLU 295.A OE1 no hydrogen 2.579 N/A SER 296.A OG ASN 509.A OD1 no hydrogen 2.454 N/A ARG 299.A N LEU 502.A O no hydrogen 3.186 N/A GLU 311.A N GLU 311.A OE1 no hydrogen 2.576 N/A ASN 314.A N ASP 310.A O no hydrogen 2.867 N/A PHE 318.A N TYR 420.A OH no hydrogen 3.245 N/A ALA 323.A N SER 320.A O no hydrogen 3.309 N/A ASN 325.A ND2 SER 370.A OG no hydrogen 2.782 N/A LYS 327.A NZ ARG 328.A O no hydrogen 3.441 N/A ILE 329.A N VAL 366.A O no hydrogen 2.928 N/A ASN 331.A N THR 492.A OG1 no hydrogen 2.526 N/A CYS 332.A SG SER 330.A O no hydrogen 3.036 N/A TYR 340.A N TYR 336.A O no hydrogen 2.899 N/A ASN 341.A N SER 337.A O no hydrogen 2.882 N/A LEU 342.A N VAL 338.A O no hydrogen 2.903 N/A PHE 346.A N ALA 406.A O no hydrogen 3.287 N/A THR 347.A OG1 ALA 406.A O no hydrogen 3.368 N/A CYS 350.A SG PHE 348.A O no hydrogen 3.435 N/A CYS 350.A SG SER 354.A O no hydrogen 3.295 N/A CYS 350.A SG PRO 355.A O no hydrogen 3.991 N/A LYS 357.A N SER 354.A OG no hydrogen 2.975 N/A ASN 359.A ND2 SER 337.A OG no hydrogen 2.779 N/A ASP 360.A N ASN 359.A OD1 no hydrogen 2.695 N/A LEU 361.A N LYS 357.A O no hydrogen 3.158 N/A THR 364.A N GLU 485.A O no hydrogen 2.969 N/A THR 364.A OG1 PRO 490.A O no hydrogen 2.981 N/A TYR 367.A N SER 483.A O no hydrogen 3.240 N/A TYR 367.A OH ASN 325.A O no hydrogen 2.540 N/A TYR 367.A OH ASP 369.A OD1 no hydrogen 3.137 N/A ALA 368.A N LYS 327.A O no hydrogen 2.729 N/A ARG 374.A N GLU 377.A OE2 no hydrogen 2.758 N/A GLY 375.A N GLU 377.A OE1 no hydrogen 2.872 N/A GLU 377.A N GLU 377.A OE1 no hydrogen 2.569 N/A ARG 379.A NE GLN 385.A OE1 no hydrogen 2.951 N/A ILE 381.A N GLU 377.A O no hydrogen 2.919 N/A ALA 382.A N ARG 379.A O no hydrogen 3.371 N/A ASP 391.A N GLY 387.A O no hydrogen 2.892 N/A ASN 393.A N ILE 389.A O no hydrogen 2.913 N/A ASN 393.A ND2 ARG 423.A O no hydrogen 3.278 N/A TYR 394.A N ILE 389.A O no hydrogen 3.433 N/A LYS 395.A NZ GLU 434.A O no hydrogen 2.375 N/A ILE 405.A N VAL 480.A O no hydrogen 3.140 N/A TRP 407.A N ARG 478.A O no hydrogen 2.664 N/A SER 409.A OG SER 409.A O no hydrogen 2.478 N/A ASN 410.A ND2 GLN 475.A OE1 no hydrogen 3.406 N/A ASP 413.A N SER 409.A O no hydrogen 2.886 N/A SER 414.A N ASN 410.A O no hydrogen 3.312 N/A SER 414.A OG PHE 466.A O no hydrogen 3.526 N/A LYS 415.A NZ ASN 417.A OD1 no hydrogen 2.756 N/A TYR 420.A N ASN 419.A OD1 no hydrogen 2.795 N/A ARG 423.A N ASN 393.A OD1 no hydrogen 3.216 N/A SER 428.A OG ASN 429.A O no hydrogen 3.379 N/A LYS 431.A NZ GLU 434.A OE2 no hydrogen 3.011 N/A ARG 435.A NH1 TRP 324.A O no hydrogen 3.245 N/A THR 439.A OG1 ILE 437.A O no hydrogen 3.406 N/A GLN 443.A NE2 GLY 445.A O no hydrogen 2.687 N/A CYS 449.A SG TYR 442.A O no hydrogen 3.312 N/A CYS 449.A SG GLN 443.A OE1 no hydrogen 3.184 N/A GLY 454.A N CYS 457.A O no hydrogen 3.327 N/A CYS 457.A N GLY 454.A O no hydrogen 3.322 N/A CYS 457.A SG TYR 442.A O no hydrogen 3.162 N/A LYS 462.A NZ LEU 461.A O no hydrogen 3.191 N/A TYR 470.A N ARG 467.A O no hydrogen 3.241 N/A GLN 475.A NE2 SER 414.A OG no hydrogen 3.175 N/A TYR 477.A N ILE 373.A O no hydrogen 2.548 N/A VAL 480.A N ILE 405.A O no hydrogen 2.738 N/A SER 483.A N TYR 367.A O no hydrogen 3.027 N/A PHE 484.A N THR 401.A OG1 no hydrogen 3.128 N/A VAL 493.A N PHE 363.A O no hydrogen 3.450 N/A CYS 494.A SG GLY 495.A O no hydrogen 3.098 N/A LYS 498.A NZ GLY 514.A O no hydrogen 3.401 N/A SER 499.A N PHE 512.A O no hydrogen 3.023 N/A ASN 501.A N THR 500.A OG1 no hydrogen 2.408 N/A ASN 501.A ND2 VAL 508.A O no hydrogen 2.540 N/A ASN 501.A ND2 GLY 519.A O no hydrogen 3.229 N/A LEU 502.A N ASN 501.A OD1 no hydrogen 2.912 N/A ASN 505.A N LEU 521.A O no hydrogen 2.843 N/A CYS 507.A SG VAL 291.A O no hydrogen 3.903 N/A ASN 513.A ND2 LYS 497.A O no hydrogen 3.621 N/A THR 518.A OG1 GLY 517.A O no hydrogen 2.476 N/A SER 524.A OG ILE 553.A O no hydrogen 2.636 N/A LYS 526.A NZ ASP 543.A OD2 no hydrogen 2.845 N/A LYS 527.A NZ ASN 525.A O no hydrogen 3.023 N/A LEU 529.A N GLN 532.A OE1 no hydrogen 2.485 N/A ASP 540.A N ASP 537.A O no hydrogen 3.098 N/A THR 541.A N ASP 537.A OD1 no hydrogen 2.381 N/A THR 541.A OG1 ASP 537.A OD1 no hydrogen 2.876 N/A THR 541.A OG1 ASP 537.A OD2 no hydrogen 2.390 N/A ASP 543.A N GLY 535.A O no hydrogen 2.987 N/A VAL 545.A N LEU 554.A O no hydrogen 2.868 N/A ARG 546.A NE GLN 532.A O no hydrogen 3.400 N/A LEU 554.A N VAL 545.A O no hydrogen 3.389 N/A ASP 555.A N THR 522.A O no hydrogen 3.034 N/A ILE 556.A N ASP 543.A O no hydrogen 3.178 N/A THR 557.A N VAL 520.A O no hydrogen 2.637 N/A THR 557.A OG1 VAL 520.A O no hydrogen 2.714 N/A CYS 559.A SG VAL 291.A O no hydrogen 3.365 N/A SER 560.A OG GLU 588.A OE1 no hydrogen 2.958 N/A GLY 562.A N PHE 289.A O no hydrogen 2.929 N/A VAL 564.A N SER 287.A O no hydrogen 3.087 N/A SER 565.A N LEU 580.A O no hydrogen 3.131 N/A VAL 566.A N TYR 284.A O no hydrogen 2.826 N/A ILE 567.A N ALA 578.A O no hydrogen 2.890 N/A THR 568.A N GLY 282.A O no hydrogen 3.389 N/A GLY 570.A N THR 568.A OG1 no hydrogen 3.090 N/A THR 571.A N VAL 279.A O no hydrogen 2.415 N/A THR 571.A OG1 VAL 279.A O no hydrogen 2.684 N/A THR 573.A N GLY 570.A O no hydrogen 3.221 N/A GLN 576.A N SER 574.A OG no hydrogen 3.096 N/A GLN 576.A NE2 GLN 647.A O no hydrogen 3.587 N/A ALA 578.A N ILE 567.A O no hydrogen 2.850 N/A VAL 579.A N ILE 620.A O no hydrogen 3.004 N/A LEU 580.A N SER 565.A O no hydrogen 3.047 N/A TYR 581.A N CYS 618.A O no hydrogen 2.591 N/A GLN 582.A N GLY 563.A O no hydrogen 3.428 N/A GLY 583.A N ALA 616.A O no hydrogen 2.683 N/A CYS 586.A N GLN 613.A OE1 no hydrogen 3.131 N/A CYS 586.A SG GLN 613.A OE1 no hydrogen 3.259 N/A GLU 588.A N ASN 585.A O no hydrogen 3.044 N/A VAL 589.A N ASN 585.A O no hydrogen 3.336 N/A VAL 589.A N CYS 586.A O no hydrogen 3.185 N/A ILE 593.A N PRO 590.A O no hydrogen 3.480 N/A HIS 594.A ND1 VAL 591.A O no hydrogen 2.801 N/A ASP 596.A N ILE 593.A O no hydrogen 2.943 N/A THR 599.A OG1 LEU 598.A O no hydrogen 2.464 N/A THR 599.A OG1 THR 599.A O no hydrogen 2.436 N/A TRP 602.A N THR 599.A O no hydrogen 2.944 N/A TRP 602.A NE1 GLU 269.A OE2 no hydrogen 3.079 N/A ARG 603.A N THR 601.A O no hydrogen 2.750 N/A ARG 603.A NH1 THR 601.A O no hydrogen 3.311 N/A THR 607.A N SER 606.A OG no hydrogen 2.580 N/A PHE 612.A N LEU 619.A O no hydrogen 2.748 N/A THR 614.A N GLY 617.A O no hydrogen 2.583 N/A THR 614.A OG1 GLY 617.A O no hydrogen 2.853 N/A GLY 617.A N THR 614.A OG1 no hydrogen 2.917 N/A CYS 618.A N TYR 581.A O no hydrogen 2.627 N/A LEU 619.A N PHE 612.A O no hydrogen 2.628 N/A ILE 620.A N VAL 579.A O no hydrogen 2.877 N/A GLU 623.A N ILE 649.A O no hydrogen 3.425 N/A TYR 624.A OH THR 653.A OG1 no hydrogen 3.207 N/A VAL 625.A N ALA 651.A O no hydrogen 2.598 N/A ILE 633.A N ALA 641.A O no hydrogen 3.028 N/A ILE 635.A N ILE 639.A O no hydrogen 3.234 N/A GLY 636.A N ILE 639.A O no hydrogen 3.427 N/A ILE 639.A N GLY 636.A O no hydrogen 3.056 N/A CYS 640.A N TYR 652.A O no hydrogen 2.979 N/A ALA 641.A N ILE 633.A O no hydrogen 3.094 N/A SER 642.A N ILE 650.A O no hydrogen 3.222 N/A SER 642.A OG ASP 632.A OD2 no hydrogen 3.031 N/A GLN 644.A N SER 648.A O no hydrogen 2.966 N/A THR 645.A OG1 GLN 647.A OE1 no hydrogen 2.347 N/A SER 648.A N GLN 644.A O no hydrogen 2.704 N/A ILE 650.A N SER 642.A O no hydrogen 2.893 N/A ALA 651.A N GLU 623.A O no hydrogen 2.778 N/A TYR 652.A N CYS 640.A O no hydrogen 2.987 N/A TYR 652.A OH GLU 630.A O no hydrogen 2.179 N/A THR 653.A OG1 TYR 624.A OH no hydrogen 3.207 N/A MET 654.A N GLY 638.A O no hydrogen 2.862 N/A SER 655.A N TYR 629.A O no hydrogen 3.209 N/A TYR 664.A N VAL 662.A O no hydrogen 2.691 N/A ILE 669.A N PHE 1026.A O no hydrogen 2.867 N/A ILE 671.A N LYS 1024.A O no hydrogen 2.971 N/A THR 673.A N GLN 1022.A O no hydrogen 2.705 N/A THR 673.A OG1 GLN 1022.A O no hydrogen 2.694 N/A ASN 674.A N ALA 1021.A O no hydrogen 2.772 N/A THR 676.A OG1 ASN 674.A OD1 no hydrogen 3.541 N/A THR 676.A OG1 VAL 1019.A O no hydrogen 3.228 N/A SER 678.A N THR 1017.A O no hydrogen 3.095 N/A THR 680.A N HIS 1015.A O no hydrogen 2.759 N/A THR 680.A OG1 HIS 1015.A O no hydrogen 3.336 N/A LEU 684.A N VAL 1011.A O no hydrogen 3.132 N/A VAL 686.A N HIS 1009.A O no hydrogen 2.921 N/A SER 687.A OG HIS 1009.A ND1 no hydrogen 2.573 N/A MET 688.A N GLN 731.A OE1 no hydrogen 2.432 N/A LYS 690.A NZ ASP 732.A OD1 no hydrogen 3.435 N/A LYS 690.A NZ ASP 732.A OD2 no hydrogen 2.584 N/A LYS 690.A NZ PRO 813.A O no hydrogen 3.222 N/A THR 691.A OG1 THR 810.A O no hydrogen 2.641 N/A SER 692.A N THR 810.A O no hydrogen 2.964 N/A ASP 694.A N GLY 808.A O no hydrogen 2.981 N/A THR 696.A N ASP 694.A OD1 no hydrogen 3.214 N/A THR 696.A OG1 ASP 694.A OD1 no hydrogen 3.556 N/A TYR 698.A N ASP 694.A O no hydrogen 2.945 N/A ILE 699.A N CYS 695.A O no hydrogen 2.900 N/A CYS 700.A SG THR 696.A O no hydrogen 3.871 N/A GLU 705.A N GLU 705.A OE1 no hydrogen 2.788 N/A CYS 706.A N SER 703.A OG no hydrogen 3.246 N/A SER 707.A N SER 703.A O no hydrogen 3.171 N/A SER 707.A OG THR 704.A O no hydrogen 2.248 N/A ASN 708.A N THR 704.A O no hydrogen 3.250 N/A LEU 709.A N GLU 705.A O no hydrogen 2.908 N/A LEU 710.A N CYS 706.A O no hydrogen 2.886 N/A LEU 711.A N ASN 708.A O no hydrogen 3.180 N/A GLN 712.A N LEU 709.A O no hydrogen 3.370 N/A GLN 712.A NE2 LEU 709.A O no hydrogen 3.070 N/A TYR 713.A N LEU 710.A O no hydrogen 2.877 N/A TYR 713.A OH ASP 945.A OD1 no hydrogen 2.625 N/A SER 715.A OG SER 715.A O no hydrogen 2.542 N/A THR 718.A OG1 GLN 719.A OE1 no hydrogen 2.706 N/A GLN 719.A N GLN 719.A OE1 no hydrogen 2.594 N/A GLN 719.A NE2 SER 715.A O no hydrogen 2.474 N/A LYS 721.A N CYS 717.A O no hydrogen 2.900 N/A ARG 722.A N THR 718.A O no hydrogen 2.896 N/A ALA 723.A N GLN 719.A O no hydrogen 2.862 N/A LEU 724.A N LEU 720.A O no hydrogen 2.943 N/A THR 725.A N LYS 721.A O no hydrogen 2.879 N/A THR 725.A OG1 LYS 721.A O no hydrogen 2.482 N/A GLY 726.A N ARG 722.A O no hydrogen 2.900 N/A ILE 727.A N ALA 723.A O no hydrogen 2.890 N/A ALA 728.A N LEU 724.A O no hydrogen 2.919 N/A VAL 729.A N THR 725.A O no hydrogen 2.898 N/A GLU 730.A N GLY 726.A O no hydrogen 2.883 N/A GLN 731.A N ILE 727.A O no hydrogen 2.865 N/A ASP 732.A N ALA 728.A O no hydrogen 2.968 N/A LYS 733.A N VAL 729.A O no hydrogen 2.853 N/A ASN 734.A N GLU 730.A O no hydrogen 2.860 N/A THR 735.A N GLN 731.A O no hydrogen 3.472 N/A THR 735.A OG1 GLN 731.A O no hydrogen 3.294 N/A GLN 736.A N ASP 732.A O no hydrogen 2.991 N/A GLU 737.A N LYS 733.A O no hydrogen 2.939 N/A VAL 738.A N ASN 734.A O no hydrogen 2.923 N/A PHE 739.A N THR 735.A O no hydrogen 2.918 N/A ALA 740.A N GLN 736.A O no hydrogen 2.866 N/A GLN 741.A N PHE 739.A O no hydrogen 2.690 N/A GLN 741.A NE2 GLU 737.A O no hydrogen 3.566 N/A GLN 741.A NE2 VAL 738.A O no hydrogen 3.470 N/A THR 748.A OG1 PRO 749.A O no hydrogen 3.229 N/A LYS 752.A NZ PRO 749.A O no hydrogen 2.578 N/A LYS 752.A NZ PRO 750.A O no hydrogen 3.106 N/A PHE 757.A N PHE 754.A O no hydrogen 2.958 N/A ASN 758.A N ASN 879.A OD1 no hydrogen 3.060 N/A SER 760.A N ASN 758.A OD1 no hydrogen 2.894 N/A GLN 761.A NE2 GLN 886.A OE1 no hydrogen 2.322 N/A ILE 762.A N PHE 759.A O no hydrogen 3.204 N/A LEU 763.A N PHE 759.A O no hydrogen 2.808 N/A LYS 768.A NZ ASP 777.A OD2 no hydrogen 2.394 N/A LYS 771.A NZ PRO 766.A O no hydrogen 2.979 N/A LYS 771.A NZ LYS 768.A O no hydrogen 2.544 N/A ARG 772.A N SER 770.A O no hydrogen 2.690 N/A ARG 772.A NE ASP 777.A OD1 no hydrogen 2.961 N/A SER 773.A OG GLN 1005.A OE1 no hydrogen 2.568 N/A GLU 776.A N SER 773.A OG no hydrogen 2.932 N/A ASP 777.A N SER 773.A O no hydrogen 2.912 N/A LEU 778.A N PRO 774.A O no hydrogen 2.883 N/A LEU 779.A N ILE 775.A O no hydrogen 2.918 N/A PHE 780.A N GLU 776.A O no hydrogen 2.884 N/A ASN 781.A N ASP 777.A O no hydrogen 2.916 N/A LYS 782.A N LEU 778.A O no hydrogen 2.887 N/A LYS 782.A NZ SER 891.A O no hydrogen 2.855 N/A VAL 783.A N LEU 779.A O no hydrogen 2.917 N/A THR 784.A N PHE 780.A O no hydrogen 2.879 N/A LYS 792.A N GLN 793.A OE1 no hydrogen 2.897 N/A LEU 798.A N ASP 796.A O no hydrogen 2.860 N/A LYS 805.A N ILE 801.A O no hydrogen 2.661 N/A PHE 806.A N CYS 802.A O no hydrogen 2.760 N/A LYS 807.A N GLN 804.A O no hydrogen 3.103 N/A GLY 808.A N LYS 805.A O no hydrogen 3.035 N/A LEU 809.A N GLN 804.A O no hydrogen 3.277 N/A THR 810.A N SER 692.A O no hydrogen 2.703 N/A THR 810.A OG1 SER 692.A O no hydrogen 3.300 N/A LEU 812.A N LYS 690.A O no hydrogen 2.656 N/A LEU 815.A N ASP 732.A OD1 no hydrogen 3.323 N/A ILE 821.A N THR 817.A O no hydrogen 2.949 N/A ALA 822.A N ASP 818.A O no hydrogen 2.862 N/A GLN 823.A N GLU 819.A O no hydrogen 2.879 N/A TYR 824.A N MET 820.A O no hydrogen 2.905 N/A THR 825.A N ILE 821.A O no hydrogen 2.955 N/A THR 825.A OG1 ILE 821.A O no hydrogen 3.478 N/A THR 825.A OG1 ALA 822.A O no hydrogen 2.537 N/A SER 826.A N ALA 822.A O no hydrogen 2.856 N/A SER 826.A OG ALA 822.A O no hydrogen 3.454 N/A SER 826.A OG GLN 823.A O no hydrogen 2.823 N/A ALA 827.A N GLN 823.A O no hydrogen 2.885 N/A LEU 828.A N TYR 824.A O no hydrogen 2.935 N/A LEU 829.A N THR 825.A O no hydrogen 2.904 N/A ALA 830.A N SER 826.A O no hydrogen 2.882 N/A GLY 831.A N ALA 827.A O no hydrogen 2.898 N/A THR 832.A N LEU 828.A O no hydrogen 2.943 N/A THR 832.A OG1 LEU 828.A O no hydrogen 2.814 N/A ILE 833.A N LEU 829.A O no hydrogen 2.861 N/A THR 834.A N ALA 830.A O no hydrogen 2.937 N/A THR 834.A OG1 ALA 830.A O no hydrogen 2.382 N/A SER 835.A N GLY 831.A O no hydrogen 2.886 N/A SER 835.A N THR 832.A O no hydrogen 3.313 N/A SER 835.A OG LEU 845.A O no hydrogen 3.062 N/A GLY 836.A N THR 832.A O no hydrogen 2.726 N/A THR 838.A OG1 SER 835.A O no hydrogen 3.212 N/A THR 838.A OG1 LEU 845.A O no hydrogen 3.505 N/A GLY 840.A N TRP 837.A O no hydrogen 3.094 N/A ALA 841.A N THR 838.A O no hydrogen 3.040 N/A LEU 845.A N THR 838.A OG1 no hydrogen 3.139 N/A GLN 846.A N GLN 846.A OE1 no hydrogen 2.844 N/A ILE 847.A N THR 834.A O no hydrogen 3.328 N/A GLN 852.A N PRO 848.A O no hydrogen 2.940 N/A GLN 852.A NE2 THR 832.A O no hydrogen 3.651 N/A MET 853.A N PHE 849.A O no hydrogen 2.948 N/A ALA 854.A N PRO 850.A O no hydrogen 2.855 N/A TYR 855.A N MET 851.A O no hydrogen 2.955 N/A ARG 856.A N GLN 852.A O no hydrogen 2.866 N/A ARG 856.A NE GLN 852.A OE1 no hydrogen 3.331 N/A ARG 856.A NH2 GLN 852.A OE1 no hydrogen 3.239 N/A PHE 857.A N MET 853.A O no hydrogen 2.880 N/A ASN 858.A N ALA 854.A O no hydrogen 2.914 N/A GLY 859.A N TYR 855.A O no hydrogen 2.885 N/A ILE 860.A N PHE 857.A O no hydrogen 3.101 N/A GLY 861.A N ASN 858.A O no hydrogen 3.408 N/A VAL 862.A N PHE 857.A O no hydrogen 2.913 N/A THR 863.A OG1 ASN 865.A OD1 no hydrogen 2.304 N/A VAL 866.A N THR 863.A O no hydrogen 3.214 N/A TYR 868.A N GLN 864.A O no hydrogen 2.911 N/A GLU 869.A N ASN 865.A O no hydrogen 2.886 N/A GLU 869.A N VAL 866.A O no hydrogen 3.314 N/A ASN 870.A N VAL 866.A O no hydrogen 2.903 N/A ASN 870.A N LEU 867.A O no hydrogen 3.092 N/A ASN 870.A ND2 VAL 866.A O no hydrogen 2.410 N/A GLN 871.A NE2 GLY 755.A O no hydrogen 3.446 N/A ILE 874.A N ASN 870.A O no hydrogen 2.890 N/A ALA 875.A N GLN 871.A O no hydrogen 2.882 N/A ASN 876.A N LYS 872.A O no hydrogen 2.922 N/A GLN 877.A N LEU 873.A O no hydrogen 2.903 N/A PHE 878.A N ILE 874.A O no hydrogen 2.898 N/A ASN 879.A N ALA 875.A O no hydrogen 2.893 N/A SER 880.A N ASN 876.A O no hydrogen 2.914 N/A SER 880.A OG ASN 876.A O no hydrogen 3.430 N/A SER 880.A OG GLN 877.A O no hydrogen 2.608 N/A ALA 881.A N GLN 877.A O no hydrogen 2.908 N/A ILE 882.A N PHE 878.A O no hydrogen 2.911 N/A GLY 883.A N ASN 879.A O no hydrogen 2.889 N/A LYS 884.A N SER 880.A O no hydrogen 2.915 N/A LYS 884.A NZ ALA 881.A O no hydrogen 3.120 N/A ILE 885.A N ALA 881.A O no hydrogen 2.939 N/A GLN 886.A N ILE 882.A O no hydrogen 3.359 N/A ASP 887.A N GLY 883.A O no hydrogen 3.363 N/A SER 888.A N LYS 884.A O no hydrogen 2.908 N/A LEU 889.A N ILE 885.A O no hydrogen 2.930 N/A SER 890.A N GLN 886.A O no hydrogen 2.867 N/A SER 890.A OG GLN 886.A O no hydrogen 2.256 N/A SER 890.A OG ASP 887.A O no hydrogen 3.317 N/A SER 891.A N ASP 887.A O no hydrogen 2.919 N/A ASP 901.A N GLY 897.A O no hydrogen 2.924 N/A ASN 904.A N GLN 900.A O no hydrogen 2.904 N/A HIS 905.A N ASP 901.A O no hydrogen 2.862 N/A ASN 906.A N VAL 902.A O no hydrogen 2.954 N/A ALA 907.A N VAL 903.A O no hydrogen 2.886 N/A GLN 908.A N ASN 904.A O no hydrogen 2.888 N/A ALA 909.A N HIS 905.A O no hydrogen 2.892 N/A LEU 910.A N ASN 906.A O no hydrogen 2.932 N/A ASN 911.A N ALA 907.A O no hydrogen 2.891 N/A THR 912.A N GLN 908.A O no hydrogen 2.911 N/A LEU 913.A N ALA 909.A O no hydrogen 2.910 N/A VAL 914.A N LEU 910.A O no hydrogen 2.931 N/A LYS 915.A N ASN 911.A O no hydrogen 2.868 N/A GLN 916.A N THR 912.A O no hydrogen 2.908 N/A LEU 917.A N VAL 914.A O no hydrogen 3.212 N/A SER 918.A N LYS 915.A O no hydrogen 3.173 N/A SER 919.A N GLN 916.A O no hydrogen 3.209 N/A SER 919.A OG GLN 916.A O no hydrogen 2.785 N/A LYS 920.A NZ ILE 924.A O no hydrogen 3.270 N/A ALA 923.A N LYS 920.A O no hydrogen 3.172 N/A SER 925.A OG ILE 924.A O no hydrogen 2.888 N/A SER 925.A OG ASP 930.A OD2 no hydrogen 2.825 N/A SER 926.A OG SER 918.A O no hydrogen 3.220 N/A SER 926.A OG SER 919.A O no hydrogen 3.369 N/A ILE 931.A N VAL 927.A O no hydrogen 2.904 N/A PHE 932.A N LEU 928.A O no hydrogen 2.917 N/A SER 933.A N ASN 929.A O no hydrogen 2.856 N/A SER 933.A OG ASN 929.A O no hydrogen 2.736 N/A ARG 934.A N ASP 930.A O no hydrogen 2.960 N/A ARG 934.A NH2 SER 925.A OG no hydrogen 2.496 N/A GLU 939.A N ASP 936.A OD1 no hydrogen 3.481 N/A ALA 940.A N ASP 936.A O no hydrogen 2.928 N/A GLU 941.A N PRO 937.A O no hydrogen 3.328 N/A GLN 943.A N GLU 939.A O no hydrogen 3.038 N/A ILE 944.A N ALA 940.A O no hydrogen 2.888 N/A ASP 945.A N GLU 941.A O no hydrogen 2.873 N/A ARG 946.A N VAL 942.A O no hydrogen 2.957 N/A ARG 946.A NH2 GLY 922.A O no hydrogen 3.375 N/A ARG 946.A NH2 GLN 943.A OE1 no hydrogen 2.435 N/A ILE 948.A N ILE 944.A O no hydrogen 2.889 N/A THR 949.A N ASP 945.A O no hydrogen 2.886 N/A THR 949.A OG1 ASP 945.A O no hydrogen 2.923 N/A THR 949.A OG1 ARG 946.A O no hydrogen 2.508 N/A GLY 950.A N ARG 946.A O no hydrogen 2.966 N/A ARG 951.A N LEU 947.A O no hydrogen 2.915 N/A LEU 952.A N ILE 948.A O no hydrogen 2.887 N/A GLN 953.A N THR 949.A O no hydrogen 2.919 N/A GLN 953.A NE2 THR 949.A O no hydrogen 3.285 N/A SER 954.A N GLY 950.A O no hydrogen 2.954 N/A SER 954.A OG GLY 950.A O no hydrogen 2.713 N/A LEU 955.A N ARG 951.A O no hydrogen 2.910 N/A GLN 956.A N LEU 952.A O no hydrogen 2.893 N/A THR 957.A N GLN 953.A O no hydrogen 2.927 N/A THR 957.A OG1 GLN 953.A O no hydrogen 3.001 N/A THR 957.A OG1 SER 954.A O no hydrogen 2.543 N/A TYR 958.A N SER 954.A O no hydrogen 2.939 N/A VAL 959.A N LEU 955.A O no hydrogen 2.895 N/A THR 960.A N GLN 956.A O no hydrogen 2.927 N/A THR 960.A OG1 GLN 956.A O no hydrogen 3.557 N/A THR 960.A OG1 THR 957.A O no hydrogen 2.573 N/A GLN 961.A N THR 957.A O no hydrogen 2.950 N/A GLN 961.A NE2 TYR 958.A O no hydrogen 3.331 N/A GLN 961.A NE2 GLN 962.A OE1 no hydrogen 2.610 N/A GLN 962.A N TYR 958.A O no hydrogen 2.895 N/A LEU 963.A N VAL 959.A O no hydrogen 2.884 N/A ILE 964.A N THR 960.A O no hydrogen 2.944 N/A ARG 965.A N GLN 961.A O no hydrogen 2.994 N/A ARG 965.A NE GLN 961.A OE1 no hydrogen 3.290 N/A ARG 965.A NH2 GLN 961.A OE1 no hydrogen 2.365 N/A ALA 966.A N GLN 962.A O no hydrogen 2.863 N/A ALA 967.A N LEU 963.A O no hydrogen 2.939 N/A GLU 968.A N ILE 964.A O no hydrogen 3.263 N/A ILE 969.A N ARG 965.A O no hydrogen 2.968 N/A ARG 970.A N ALA 966.A O no hydrogen 2.874 N/A ARG 970.A NH1 GLU 730.A OE2 no hydrogen 2.488 N/A ALA 971.A N ALA 967.A O no hydrogen 2.981 N/A SER 972.A N GLU 968.A O no hydrogen 2.906 N/A SER 972.A OG PRO 685.A O no hydrogen 3.036 N/A ALA 973.A N ILE 969.A O no hydrogen 2.849 N/A ASN 974.A N ARG 970.A O no hydrogen 2.897 N/A LEU 975.A N ALA 971.A O no hydrogen 2.957 N/A ALA 976.A N SER 972.A O no hydrogen 2.866 N/A ALA 977.A N ALA 973.A O no hydrogen 2.867 N/A THR 978.A N ASN 974.A O no hydrogen 2.941 N/A THR 978.A OG1 ASN 974.A O no hydrogen 2.740 N/A LYS 979.A N LEU 975.A O no hydrogen 2.899 N/A LYS 979.A NZ GLU 682.A OE2 no hydrogen 3.527 N/A MET 980.A N ALA 976.A O no hydrogen 2.846 N/A SER 981.A N ALA 977.A O no hydrogen 2.924 N/A GLU 982.A N THR 978.A O no hydrogen 2.911 N/A CYS 983.A N LYS 979.A O no hydrogen 2.872 N/A CYS 983.A SG LYS 979.A O no hydrogen 3.130 N/A VAL 984.A N MET 980.A O no hydrogen 2.923 N/A LEU 985.A N SER 981.A O no hydrogen 3.280 N/A LYS 989.A NZ GLY 859.A O no hydrogen 2.829 N/A ARG 990.A N SER 988.A OG no hydrogen 3.424 N/A ARG 990.A NH1 GLU 982.A OE1 no hydrogen 2.736 N/A TYR 998.A N TYR 1018.A O no hydrogen 3.436 N/A LEU 1000.A N VAL 1016.A O no hydrogen 2.979 N/A SER 1002.A OG HIS 999.A NE2 no hydrogen 3.198 N/A SER 1002.A OG HIS 1015.A ND1 no hydrogen 2.217 N/A PHE 1003.A N LEU 1014.A O no hydrogen 2.965 N/A GLN 1005.A N VAL 1012.A O no hydrogen 2.538 N/A GLN 1005.A NE2 PRO 1004.A O no hydrogen 2.649 N/A ALA 1007.A N GLY 1010.A O no hydrogen 3.053 N/A HIS 1009.A ND1 SER 687.A OG no hydrogen 2.573 N/A GLY 1010.A N ALA 1007.A O no hydrogen 3.117 N/A VAL 1011.A N LEU 684.A O no hydrogen 3.132 N/A VAL 1012.A N GLN 1005.A O no hydrogen 2.751 N/A PHE 1013.A N GLU 682.A O no hydrogen 2.806 N/A LEU 1014.A N PHE 1003.A O no hydrogen 2.651 N/A HIS 1015.A N THR 680.A O no hydrogen 2.726 N/A HIS 1015.A ND1 SER 1002.A OG no hydrogen 2.217 N/A HIS 1015.A NE2 GLU 682.A OE1 no hydrogen 2.298 N/A VAL 1016.A N MET 1001.A O no hydrogen 2.903 N/A THR 1017.A N SER 678.A O no hydrogen 2.800 N/A THR 1017.A OG1 SER 678.A O no hydrogen 3.299 N/A THR 1017.A OG1 LYS 996.A O no hydrogen 3.017 N/A TYR 1018.A N TYR 998.A O no hydrogen 2.824 N/A VAL 1019.A N THR 676.A O no hydrogen 2.709 N/A ALA 1021.A N ASN 674.A O no hydrogen 2.546 N/A GLU 1023.A N GLU 1023.A OE1 no hydrogen 2.567 N/A LYS 1024.A N ILE 671.A O no hydrogen 3.008 N/A LYS 1024.A NZ GLU 1023.A O no hydrogen 3.519 N/A PHE 1026.A N ILE 669.A O no hydrogen 2.642 N/A THR 1027.A N SER 1048.A O no hydrogen 2.868 N/A THR 1027.A OG1 SER 1048.A O no hydrogen 3.267 N/A THR 1028.A OG1 PHE 1046.A O no hydrogen 2.969 N/A ILE 1032.A N HIS 1039.A O no hydrogen 3.125 N/A CYS 1033.A N VAL 1084.A O no hydrogen 2.925 N/A CYS 1033.A SG LYS 1037.A O no hydrogen 3.612 N/A HIS 1034.A N LYS 1037.A O no hydrogen 3.425 N/A ALA 1038.A N GLY 1075.A O no hydrogen 3.512 N/A HIS 1039.A N ILE 1032.A O no hydrogen 2.961 N/A PHE 1040.A N PHE 1072.A O no hydrogen 2.915 N/A ARG 1042.A N ASN 1070.A O no hydrogen 3.367 N/A ARG 1042.A NH2 THR 1071.A O no hydrogen 2.622 N/A VAL 1045.A N THR 1056.A O no hydrogen 2.623 N/A VAL 1047.A N PHE 1054.A O no hydrogen 2.963 N/A SER 1048.A N THR 1027.A O no hydrogen 2.545 N/A SER 1048.A OG HIS 1052.A O no hydrogen 2.866 N/A ASN 1049.A N ASN 1049.A OD1 no hydrogen 2.506 N/A THR 1051.A OG1 HIS 1052.A ND1 no hydrogen 2.317 N/A PHE 1054.A N VAL 1047.A O no hydrogen 2.805 N/A VAL 1055.A N GLN 1064.A O no hydrogen 2.953 N/A THR 1056.A N VAL 1045.A O no hydrogen 3.304 N/A THR 1056.A OG1 GLN 1057.A O no hydrogen 3.526 N/A THR 1056.A OG1 PHE 1060.A O no hydrogen 2.931 N/A THR 1056.A OG1 GLU 1062.A O no hydrogen 3.306 N/A GLN 1057.A N GLU 1062.A OE1 no hydrogen 3.153 N/A ARG 1058.A NH2 GLY 1044.A O no hydrogen 3.491 N/A GLU 1062.A N THR 1056.A OG1 no hydrogen 2.903 N/A THR 1068.A N TYR 1089.A O no hydrogen 3.187 N/A ASN 1070.A N THR 1067.A O no hydrogen 3.196 N/A THR 1071.A N THR 1068.A O no hydrogen 3.475 N/A THR 1071.A OG1 THR 1067.A O no hydrogen 3.368 N/A PHE 1072.A N PHE 1040.A O no hydrogen 2.976 N/A SER 1074.A N ALA 1038.A O no hydrogen 3.101 N/A VAL 1084.A N ALA 1031.A O no hydrogen 3.030 N/A ASN 1086.A N CYS 1033.A O no hydrogen 2.772 N/A THR 1087.A N ASN 1086.A OD1 no hydrogen 2.565 N/A TYR 1089.A N ILE 1066.A O no hydrogen 3.298 N/A