Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hkz_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N GLU 5.A OE2 no hydrogen 2.971 N/A THR 2.A OG1 GLU 5.A OE2 no hydrogen 2.912 N/A ARG 8.A N ASP 4.A O no hydrogen 3.330 N/A ILE 10.A N ARG 6.A O no hydrogen 3.474 N/A GLU 11.A N TRP 7.A O no hydrogen 2.791 N/A ALA 12.A N ARG 8.A O no hydrogen 2.708 N/A TYR 13.A N VAL 9.A O no hydrogen 2.621 N/A PHE 14.A N ILE 10.A O no hydrogen 2.967 N/A LYS 15.A N GLU 11.A O no hydrogen 3.080 N/A SER 16.A N ALA 12.A O no hydrogen 3.013 N/A SER 16.A OG ASP 588.A OD2 no hydrogen 2.745 N/A ARG 21.A NE ASP 25.A OD2 no hydrogen 3.000 N/A ARG 21.A NH2 SER 16.A O no hydrogen 2.276 N/A ASP 25.A N ARG 21.A O no hydrogen 3.112 N/A SER 26.A N LEU 24.A O no hydrogen 2.580 N/A SER 26.A OG HIS 23.A O no hydrogen 3.208 N/A TYR 27.A N HIS 23.A O no hydrogen 2.624 N/A TYR 27.A OH PRO 116.A O no hydrogen 3.093 N/A ASN 28.A N LEU 24.A O no hydrogen 2.532 N/A PHE 30.A N SER 26.A O no hydrogen 3.173 N/A ARG 32.A N ASP 29.A O no hydrogen 2.923 N/A LYS 34.A N ASP 29.A O no hydrogen 3.243 N/A ILE 38.A N LEU 35.A O no hydrogen 2.632 N/A ILE 39.A N LEU 35.A O no hydrogen 3.082 N/A ILE 39.A N GLN 36.A O no hydrogen 3.102 N/A ASP 40.A N GLU 37.A O no hydrogen 3.418 N/A GLU 44.A N VAL 54.A O no hydrogen 2.955 N/A LYS 53.A N VAL 99.A O no hydrogen 3.310 N/A ARG 55.A N ILE 97.A O no hydrogen 2.752 N/A GLY 57.A N THR 95.A O no hydrogen 2.559 N/A ARG 60.A NH1 THR 95.A OG1 no hydrogen 2.969 N/A ARG 60.A NH2 THR 95.A OG1 no hydrogen 3.054 N/A LYS 63.A NZ GLU 75.A OE2 no hydrogen 3.191 N/A ARG 65.A N ALA 89.A O no hydrogen 3.037 N/A VAL 66.A N ARG 74.A O no hydrogen 2.896 N/A SER 69.A OG GLU 68.A OE1 no hydrogen 2.908 N/A GLU 73.A N ARG 67.A O no hydrogen 3.199 N/A ILE 76.A N PRO 64.A O no hydrogen 3.382 N/A SER 77.A OG ILE 137.A O no hydrogen 3.095 N/A GLU 80.A N SER 77.A O no hydrogen 2.691 N/A ALA 81.A N SER 77.A O no hydrogen 2.993 N/A ARG 82.A N PRO 78.A O no hydrogen 3.163 N/A ARG 82.A NE PRO 78.A O no hydrogen 3.176 N/A ARG 82.A NH1 TYR 147.A OH no hydrogen 3.163 N/A ARG 82.A NH1 GLU 154.A OE2 no hydrogen 3.051 N/A ARG 84.A N GLU 80.A O no hydrogen 2.596 N/A LEU 86.A N ALA 81.A O no hydrogen 2.649 N/A TYR 88.A OH ASP 124.A OD2 no hydrogen 2.348 N/A ALA 90.A N LEU 115.A O no hydrogen 2.784 N/A LEU 92.A N GLY 113.A O no hydrogen 3.239 N/A TRP 93.A N ARG 60.A O no hydrogen 2.935 N/A ILE 97.A N ARG 55.A O no hydrogen 2.665 N/A GLU 100.A N GLU 104.A OE1 no hydrogen 3.345 N/A ASN 101.A N VAL 99.A O no hydrogen 2.793 N/A ILE 112.A N LEU 92.A O no hydrogen 2.853 N/A LEU 115.A N ALA 90.A O no hydrogen 2.389 N/A ILE 117.A N TYR 88.A O no hydrogen 3.222 N/A MET 118.A N TYR 27.A OH no hydrogen 3.149 N/A LEU 119.A N TYR 147.A O no hydrogen 2.781 N/A SER 121.A N MET 118.A O no hydrogen 3.367 N/A SER 121.A OG MET 118.A O no hydrogen 2.561 N/A ALA 122.A N ASN 28.A OD1 no hydrogen 2.807 N/A ASP 124.A N SER 121.A OG no hydrogen 3.072 N/A ILE 126.A N ASP 124.A OD1 no hydrogen 3.278 N/A SER 127.A N ASP 124.A O no hydrogen 2.975 N/A SER 127.A OG LYS 120.A O no hydrogen 3.314 N/A TYR 129.A N ILE 126.A O no hydrogen 3.037 N/A LYS 133.A N THR 130.A O no hydrogen 2.564 N/A LEU 134.A N THR 130.A O no hydrogen 3.154 N/A LEU 134.A N LEU 131.A O no hydrogen 2.885 N/A ILE 135.A N LEU 131.A O no hydrogen 3.435 N/A ILE 137.A N LYS 133.A O no hydrogen 3.419 N/A GLY 138.A N LEU 134.A O no hydrogen 2.894 N/A GLU 139.A N LEU 134.A O no hydrogen 3.297 N/A ASP 143.A N ASP 140.A O no hydrogen 2.743 N/A TYR 147.A OH ASP 143.A OD1 no hydrogen 2.767 N/A TYR 147.A OH ASP 143.A OD2 no hydrogen 2.782 N/A PHE 148.A N ARG 155.A O no hydrogen 3.086 N/A SER 153.A N VAL 150.A O no hydrogen 2.877 N/A SER 153.A OG VAL 150.A O no hydrogen 2.829 N/A VAL 156.A N GLN 408.A O no hydrogen 2.708 N/A VAL 158.A N VAL 406.A O no hydrogen 2.806 N/A THR 159.A OG1 GLN 160.A O no hydrogen 3.346 N/A THR 159.A OG1 ARG 340.A O no hydrogen 3.296 N/A GLN 160.A NE2 GLY 405.A O no hydrogen 3.376 N/A ASN 166.A N ILE 186.A O no hydrogen 2.316 N/A ARG 167.A NH1 ALA 335.A O no hydrogen 2.757 N/A LEU 169.A N LYS 184.A O no hydrogen 3.016 N/A VAL 170.A N ASP 329.A OD2 no hydrogen 2.793 N/A ASP 171.A N THR 182.A O no hydrogen 2.829 N/A THR 172.A OG1 ASP 171.A O no hydrogen 2.567 N/A THR 172.A OG1 HIS 181.A ND1 no hydrogen 2.628 N/A HIS 181.A ND1 THR 172.A OG1 no hydrogen 2.628 N/A THR 182.A OG1 LEU 201.A O no hydrogen 2.375 N/A ALA 183.A N LEU 201.A O no hydrogen 2.900 N/A LYS 184.A N LEU 169.A O no hydrogen 2.848 N/A ILE 185.A N GLU 199.A O no hydrogen 2.753 N/A SER 187.A OG THR 197.A O no hydrogen 2.710 N/A SER 188.A N ASN 166.A OD1 no hydrogen 3.446 N/A THR 189.A OG1 SER 188.A O no hydrogen 2.599 N/A THR 189.A OG1 ARG 193.A O no hydrogen 2.457 N/A THR 197.A N SER 187.A O no hydrogen 3.379 N/A LEU 201.A N ALA 183.A O no hydrogen 2.671 N/A LYS 202.A N HIS 207.A O no hydrogen 3.178 N/A ASP 203.A N HIS 181.A O no hydrogen 3.158 N/A HIS 207.A N LYS 202.A O no hydrogen 3.334 N/A VAL 208.A N ILE 217.A O no hydrogen 2.700 N/A SER 209.A N ARG 200.A O no hydrogen 2.868 N/A SER 209.A OG ARG 200.A O no hydrogen 3.233 N/A VAL 213.A N PRO 211.A O no hydrogen 2.751 N/A PHE 219.A N PHE 206.A O no hydrogen 3.313 N/A ILE 221.A N PRO 218.A O no hydrogen 2.916 N/A MET 223.A N PHE 219.A O no hydrogen 2.890 N/A ARG 224.A N ILE 221.A O no hydrogen 2.996 N/A ARG 224.A NE ILE 228.A O no hydrogen 3.339 N/A ARG 224.A NE LEU 229.A O no hydrogen 3.210 N/A ARG 224.A NH1 ILE 258.A O no hydrogen 3.046 N/A ARG 224.A NH2 LEU 229.A O no hydrogen 2.500 N/A ALA 225.A N ILE 221.A O no hydrogen 2.765 N/A LEU 226.A N LEU 222.A O no hydrogen 3.345 N/A ILE 228.A N ARG 224.A O no hydrogen 3.336 N/A THR 230.A OG1 ASP 233.A OD2 no hydrogen 2.705 N/A ASP 233.A N THR 230.A O no hydrogen 2.931 N/A ILE 234.A N THR 230.A O no hydrogen 2.902 N/A VAL 235.A N ASP 231.A O no hydrogen 2.696 N/A ALA 237.A N ASP 233.A O no hydrogen 2.839 N/A VAL 238.A N ILE 234.A O no hydrogen 2.802 N/A VAL 238.A N VAL 235.A O no hydrogen 3.240 N/A LEU 240.A N TYR 512.A OH no hydrogen 3.476 N/A GLN 245.A NE2 ASN 246.A OD1 no hydrogen 3.355 N/A GLU 247.A N GLU 243.A O no hydrogen 3.207 N/A LEU 248.A N GLN 245.A O no hydrogen 3.057 N/A LEU 252.A N PHE 249.A O no hydrogen 3.298 N/A GLN 254.A N SER 251.A O no hydrogen 3.162 N/A ASN 260.A ND2 ASP 263.A OD1 no hydrogen 2.794 N/A LEU 265.A N ASP 262.A O no hydrogen 3.027 N/A ASP 266.A N ASP 263.A O no hydrogen 3.276 N/A PHE 267.A N ASP 263.A O no hydrogen 3.268 N/A GLY 269.A N LEU 265.A O no hydrogen 2.878 N/A SER 270.A N ASP 266.A O no hydrogen 3.341 N/A SER 270.A OG ASP 266.A O no hydrogen 2.728 N/A ARG 271.A N ILE 268.A O no hydrogen 2.945 N/A VAL 272.A N GLY 269.A O no hydrogen 3.142 N/A ASN 280.A N LYS 277.A O no hydrogen 2.753 N/A ALA 285.A N ILE 282.A O no hydrogen 3.137 N/A GLN 286.A N ILE 282.A O no hydrogen 2.692 N/A GLN 287.A N GLU 283.A O no hydrogen 3.066 N/A LYS 291.A N GLN 287.A O no hydrogen 3.116 N/A THR 299.A OG1 ASP 290.A O no hydrogen 3.449 N/A THR 299.A OG1 GLY 298.A O no hydrogen 2.652 N/A ASP 303.A N SER 300.A O no hydrogen 2.788 N/A ARG 304.A N GLU 302.A O no hydrogen 2.720 N/A ARG 304.A NE ASP 290.A OD1 no hydrogen 3.418 N/A ARG 304.A NH2 ASP 290.A OD2 no hydrogen 2.773 N/A LYS 305.A N GLU 302.A O no hydrogen 3.501 N/A LYS 307.A N ARG 304.A O no hydrogen 3.345 N/A LYS 307.A NZ ILE 289.A O no hydrogen 2.934 N/A ALA 308.A N LYS 305.A O no hydrogen 3.349 N/A TYR 310.A OH LEU 509.A O no hydrogen 2.378 N/A TYR 313.A N TYR 309.A O no hydrogen 2.482 N/A ALA 314.A N LEU 311.A O no hydrogen 3.193 N/A ILE 315.A N LEU 311.A O no hydrogen 2.573 N/A SER 316.A N ALA 312.A O no hydrogen 2.733 N/A SER 316.A OG SER 316.A O no hydrogen 2.325 N/A LYS 317.A NZ VAL 168.A O no hydrogen 3.359 N/A LYS 317.A NZ ASP 329.A OD1 no hydrogen 3.239 N/A LYS 317.A NZ ASP 329.A OD2 no hydrogen 2.845 N/A VAL 318.A N ALA 314.A O no hydrogen 3.150 N/A VAL 318.A N ILE 315.A O no hydrogen 2.997 N/A ILE 319.A N ILE 315.A O no hydrogen 2.592 N/A TYR 322.A N ILE 319.A O no hydrogen 2.867 N/A GLY 324.A N LEU 321.A O no hydrogen 2.580 N/A ARG 326.A NH2 GLU 548.A OE2 no hydrogen 3.386 N/A ASP 329.A N VAL 170.A O no hydrogen 3.238 N/A ASP 332.A N ASP 330.A OD2 no hydrogen 3.259 N/A TYR 334.A OH GLU 161.A OE2 no hydrogen 2.421 N/A ALA 335.A N HIS 333.A O no hydrogen 2.545 N/A ASN 336.A N HIS 333.A O no hydrogen 2.597 N/A ASN 336.A ND2 ASP 330.A O no hydrogen 2.814 N/A LYS 337.A NZ GLU 161.A OE1 no hydrogen 3.179 N/A LEU 341.A N ASP 344.A OD2 no hydrogen 3.135 N/A LEU 345.A N LEU 341.A O no hydrogen 3.100 N/A LEU 345.A N ALA 342.A O no hydrogen 2.857 N/A PHE 346.A N ALA 342.A O no hydrogen 2.355 N/A PHE 346.A N GLY 343.A O no hydrogen 2.842 N/A ALA 347.A N GLY 343.A O no hydrogen 2.784 N/A SER 348.A OG ASP 344.A O no hydrogen 3.482 N/A PHE 350.A N PHE 346.A O no hydrogen 2.951 N/A ARG 351.A N ALA 347.A O no hydrogen 2.870 N/A ALA 353.A N LEU 349.A O no hydrogen 2.942 N/A PHE 354.A N PHE 350.A O no hydrogen 2.841 N/A LYS 355.A N ARG 351.A O no hydrogen 2.895 N/A LYS 355.A NZ GLU 41.A OE1 no hydrogen 2.672 N/A ALA 356.A N VAL 352.A O no hydrogen 2.953 N/A VAL 358.A N PHE 354.A O no hydrogen 2.986 N/A LYS 359.A N LYS 355.A O no hydrogen 3.283 N/A ASP 360.A N ALA 356.A O no hydrogen 3.109 N/A LEU 361.A N PHE 357.A O no hydrogen 3.148 N/A THR 362.A N VAL 358.A O no hydrogen 3.455 N/A THR 362.A OG1 VAL 358.A O no hydrogen 3.189 N/A GLN 364.A N ASP 360.A O no hydrogen 2.604 N/A LEU 365.A N LEU 361.A O no hydrogen 2.501 N/A GLU 366.A N THR 362.A O no hydrogen 2.722 N/A SER 368.A OG LEU 365.A O no hydrogen 3.091 N/A LYS 369.A N SER 368.A OG no hydrogen 2.805 N/A ALA 379.A N ALA 376.A O no hydrogen 2.962 N/A LEU 380.A N LEU 377.A O no hydrogen 2.737 N/A VAL 381.A N LEU 377.A O no hydrogen 2.893 N/A THR 387.A OG1 ASP 384.A OD1 no hydrogen 2.251 N/A GLU 388.A N ASP 384.A O no hydrogen 2.792 N/A ILE 390.A N THR 387.A O no hydrogen 2.856 N/A ARG 391.A N THR 387.A O no hydrogen 2.900 N/A LEU 394.A N ARG 391.A O no hydrogen 3.187 N/A ALA 395.A N ARG 391.A O no hydrogen 2.700 N/A SER 407.A OG LEU 394.A O no hydrogen 3.229 N/A GLN 408.A N VAL 156.A O no hydrogen 2.890 N/A LEU 410.A N GLU 154.A O no hydrogen 3.108 N/A ARG 412.A NH1 GLU 154.A OE2 no hydrogen 2.546 N/A THR 413.A OG1 ASP 411.A OD1 no hydrogen 2.924 N/A ASN 414.A ND2 THR 413.A O no hydrogen 3.064 N/A SER 417.A OG ASP 411.A O no hydrogen 2.789 N/A SER 417.A OG ASP 411.A OD2 no hydrogen 2.440 N/A LEU 419.A N TRP 415.A O no hydrogen 3.297 N/A SER 420.A N LEU 416.A O no hydrogen 2.882 N/A SER 420.A OG ASN 465.A OD1 no hydrogen 2.688 N/A HIS 421.A N SER 417.A O no hydrogen 2.661 N/A LEU 422.A N MET 418.A O no hydrogen 3.291 N/A ARG 423.A N SER 420.A O no hydrogen 3.167 N/A ARG 423.A NH1 LEU 466.A O no hydrogen 3.200 N/A ARG 423.A NH2 ALA 467.A O no hydrogen 2.679 N/A ARG 424.A N HIS 421.A O no hydrogen 3.333 N/A VAL 425.A N LYS 464.A O no hydrogen 2.899 N/A ILE 426.A N THR 159.A O no hydrogen 3.196 N/A ARG 431.A NE SER 428.A O no hydrogen 2.700 N/A ARG 439.A N PHE 436.A O no hydrogen 3.296 N/A THR 444.A OG1 HIS 333.A ND1 no hydrogen 3.396 N/A TRP 446.A N THR 444.A O no hydrogen 2.330 N/A ARG 448.A N GLN 445.A O no hydrogen 3.046 N/A ARG 448.A NE VAL 558.A O no hydrogen 3.006 N/A ARG 448.A NH1 TRP 446.A O no hydrogen 3.468 N/A ARG 448.A NH1 GLU 604.A OE1 no hydrogen 2.750 N/A ARG 448.A NH1 GLU 604.A OE2 no hydrogen 3.137 N/A ARG 448.A NH2 ASP 600.A O no hydrogen 2.840 N/A MET 449.A N GLN 445.A O no hydrogen 2.845 N/A CYS 450.A N ASN 465.A O no hydrogen 3.341 N/A CYS 450.A SG GLU 453.A OE1 no hydrogen 2.851 N/A THR 454.A OG1 GLU 453.A O no hydrogen 2.502 N/A THR 454.A OG1 VAL 463.A O no hydrogen 3.411 N/A SER 460.A N GLY 457.A O no hydrogen 3.242 N/A LEU 462.A N ASN 459.A O no hydrogen 2.995 N/A VAL 463.A N ASN 459.A O no hydrogen 3.267 N/A LYS 464.A N VAL 425.A O no hydrogen 2.919 N/A LYS 464.A NZ GLU 161.A OE2 no hydrogen 3.506 N/A LYS 464.A NZ LEU 462.A O no hydrogen 3.160 N/A ALA 467.A N ARG 448.A O no hydrogen 2.729 N/A VAL 474.A N GLU 535.A OE1 no hydrogen 2.753 N/A GLY 475.A N GLU 535.A OE1 no hydrogen 2.689 N/A VAL 481.A N GLU 478.A O no hydrogen 2.419 N/A GLU 482.A N GLU 478.A O no hydrogen 3.340 N/A THR 484.A OG1 VAL 481.A O no hydrogen 3.517 N/A LEU 485.A N VAL 481.A O no hydrogen 2.937 N/A GLU 487.A N LYS 483.A O no hydrogen 3.099 N/A GLY 489.A N TYR 486.A O no hydrogen 3.135 N/A VAL 490.A N LEU 485.A O no hydrogen 2.945 N/A VAL 493.A N ILE 510.A O no hydrogen 3.064 N/A VAL 496.A N VAL 493.A O no hydrogen 2.781 N/A SER 501.A OG TYR 513.A O no hydrogen 3.125 N/A LYS 502.A NZ GLU 320.A OE1 no hydrogen 3.033 N/A LYS 502.A NZ GLU 548.A OE2 no hydrogen 2.841 N/A VAL 503.A N GLY 511.A O no hydrogen 2.717 N/A ILE 504.A N VAL 549.A O no hydrogen 2.874 N/A LEU 505.A N ARG 508.A O no hydrogen 2.668 N/A ASN 506.A N VAL 551.A O no hydrogen 3.201 N/A ARG 508.A NH2 GLU 482.A OE2 no hydrogen 3.094 N/A ILE 510.A N VAL 503.A O no hydrogen 3.143 N/A TYR 513.A N SER 501.A O no hydrogen 3.007 N/A ALA 520.A N GLY 516.A O no hydrogen 3.440 N/A LYS 522.A N GLU 518.A O no hydrogen 3.310 N/A LYS 522.A NZ TYR 513.A OH no hydrogen 3.431 N/A ILE 523.A N LEU 519.A O no hydrogen 3.130 N/A ARG 524.A N ALA 520.A O no hydrogen 2.655 N/A ARG 524.A NH2 VAL 538.A O no hydrogen 3.498 N/A GLU 525.A N ASN 521.A O no hydrogen 2.809 N/A ARG 526.A N LYS 522.A O no hydrogen 2.794 N/A ARG 526.A NE GLU 531.A OE2 no hydrogen 2.732 N/A ARG 526.A NH2 GLU 531.A OE2 no hydrogen 2.522 N/A ARG 527.A N ILE 523.A O no hydrogen 2.691 N/A ARG 527.A NH2 GLU 597.A OE1 no hydrogen 2.939 N/A ARG 527.A NH2 GLU 603.A OE1 no hydrogen 3.231 N/A ARG 528.A N ARG 524.A O no hydrogen 2.764 N/A ARG 528.A NE GLU 597.A OE2 no hydrogen 2.657 N/A ARG 528.A NH2 GLU 597.A OE2 no hydrogen 2.947 N/A LYS 529.A N GLU 525.A O no hydrogen 2.926 N/A GLU 531.A N ARG 526.A O no hydrogen 3.120 N/A ASN 537.A N ASN 552.A O no hydrogen 2.686 N/A VAL 538.A N GLU 603.A OE1 no hydrogen 2.494 N/A GLY 539.A N HIS 550.A O no hydrogen 2.921 N/A ILE 541.A N GLU 548.A O no hydrogen 2.860 N/A ASN 547.A ND2 ASN 547.A O no hydrogen 2.591 N/A VAL 549.A N LYS 502.A O no hydrogen 2.848 N/A HIS 550.A N GLY 539.A O no hydrogen 2.943 N/A VAL 551.A N ILE 504.A O no hydrogen 2.820 N/A ASN 552.A N ASN 537.A O no hydrogen 2.491 N/A CYS 553.A N ASN 506.A OD1 no hydrogen 3.079 N/A CYS 553.A SG ILE 476.A O no hydrogen 3.601 N/A SER 555.A OG VAL 474.A O no hydrogen 3.089 N/A GLY 556.A N ALA 473.A O no hydrogen 2.710 N/A ARG 557.A NE ASP 554.A OD1 no hydrogen 2.728 N/A ARG 557.A NH2 ASP 554.A OD2 no hydrogen 3.160 N/A ARG 559.A NH1 ASP 534.A O no hydrogen 3.130 N/A ARG 559.A NH2 ASP 534.A O no hydrogen 3.448 N/A ARG 560.A N LEU 599.A O no hydrogen 3.036 N/A ARG 560.A NH1 ALA 629.A O no hydrogen 2.701 N/A ARG 560.A NH2 ALA 629.A O no hydrogen 3.333 N/A LEU 562.A N GLU 597.A O no hydrogen 3.072 N/A ILE 564.A N LYS 595.A O no hydrogen 2.928 N/A VAL 565.A N THR 621.A O no hydrogen 2.795 N/A ASP 576.A N THR 573.A O no hydrogen 2.829 N/A ILE 577.A N ILE 574.A O no hydrogen 2.999 N/A LYS 579.A NZ ASP 576.A OD1 no hydrogen 3.377 N/A GLU 581.A N GLU 578.A O no hydrogen 3.198 N/A SER 582.A OG ILE 585.A O no hydrogen 2.973 N/A THR 586.A OG1 ASP 588.A OD2 no hydrogen 3.518 N/A ASP 589.A N THR 586.A O no hydrogen 2.579 N/A LEU 590.A N PHE 587.A O no hydrogen 2.661 N/A GLY 594.A N VAL 591.A O no hydrogen 2.718 N/A LYS 595.A N LEU 590.A O no hydrogen 3.301 N/A GLU 597.A N LEU 562.A O no hydrogen 3.157 N/A LEU 599.A N ARG 560.A O no hydrogen 2.776 N/A GLU 602.A N ASP 600.A OD1 no hydrogen 3.304 N/A GLU 605.A N ALA 601.A O no hydrogen 2.696 N/A ASN 606.A N GLU 603.A O no hydrogen 3.095 N/A ALA 607.A N GLU 603.A O no hydrogen 3.393 N/A LEU 616.A N PRO 613.A O no hydrogen 2.942 N/A HIS 622.A N TYR 608.A O no hydrogen 3.124 N/A LEU 623.A N ILE 563.A O no hydrogen 3.150 N/A SER 627.A OG GLU 612.A OE2 no hydrogen 3.069 N/A ALA 629.A N TRP 626.A O no hydrogen 3.181 N/A ILE 630.A N SER 627.A O no hydrogen 3.100 N/A THR 634.A OG1 ASN 465.A OD1 no hydrogen 3.248 N/A ALA 635.A N GLU 453.A OE2 no hydrogen 2.778 N/A SER 636.A OG GLY 632.A O no hydrogen 2.698 N/A ILE 637.A N THR 634.A O no hydrogen 3.179 N/A ILE 638.A N ALA 635.A O no hydrogen 3.491 N/A TYR 640.A OH TYR 917.A OH no hydrogen 3.169 N/A HIS 643.A N PRO 641.A O no hydrogen 2.354 N/A ASN 644.A N PRO 641.A O no hydrogen 2.648 N/A ASN 644.A ND2 LEU 892.A O no hydrogen 2.481 N/A GLN 645.A N MET 890.A O no hydrogen 2.862 N/A ARG 648.A N GLN 645.A O no hydrogen 2.852 N/A ARG 648.A NH1 GLY 854.A O no hydrogen 3.230 N/A ASN 649.A N SER 646.A O no hydrogen 2.868 N/A ASN 649.A ND2 PRO 641.A O no hydrogen 3.566 N/A THR 650.A N SER 646.A O no hydrogen 3.453 N/A THR 650.A OG1 PHE 452.A O no hydrogen 3.290 N/A TYR 651.A N PRO 647.A O no hydrogen 2.740 N/A GLN 652.A N ARG 648.A O no hydrogen 3.089 N/A GLN 652.A NE2 GLN 962.A OE1 no hydrogen 3.195 N/A SER 653.A N ASN 649.A O no hydrogen 2.787 N/A SER 653.A OG GLU 453.A OE1 no hydrogen 2.856 N/A SER 653.A OG ASN 649.A O no hydrogen 3.088 N/A ALA 654.A N TYR 651.A O no hydrogen 2.743 N/A MET 655.A N TYR 651.A O no hydrogen 2.937 N/A ALA 656.A N GLN 652.A O no hydrogen 2.775 N/A GLN 658.A N MET 655.A O no hydrogen 2.783 N/A ALA 659.A N ALA 656.A O no hydrogen 3.217 N/A LEU 660.A N LYS 963.A O no hydrogen 2.930 N/A TYR 663.A OH ASP 672.A OD1 no hydrogen 2.677 N/A TYR 667.A N ALA 664.A O no hydrogen 2.824 N/A ARG 670.A NH2 GLU 154.A OE2 no hydrogen 3.143 N/A ALA 675.A N PHE 738.A O no hydrogen 3.026 N/A LEU 677.A N THR 736.A O no hydrogen 3.219 N/A LEU 678.A N GLY 661.A O no hydrogen 2.884 N/A HIS 679.A N ARG 734.A O no hydrogen 2.837 N/A HIS 679.A NE2 THR 736.A OG1 no hydrogen 2.662 N/A GLN 687.A N VAL 911.A O no hydrogen 3.329 N/A GLN 687.A NE2 THR 688.A O no hydrogen 3.303 N/A THR 688.A OG1 SER 636.A O no hydrogen 2.533 N/A ILE 694.A N ALA 690.A O no hydrogen 3.011 N/A GLY 695.A N ASP 692.A O no hydrogen 3.065 N/A THR 697.A OG1 LEU 691.A O no hydrogen 2.474 N/A THR 697.A OG1 ASP 692.A OD1 no hydrogen 3.416 N/A ASN 698.A N GLY 695.A O no hydrogen 2.888 N/A ARG 699.A N GLY 695.A O no hydrogen 3.201 N/A ARG 699.A NH1 ASP 140.A OD1 no hydrogen 3.396 N/A ALA 701.A N TYR 960.A OH no hydrogen 3.002 N/A ASN 703.A ND2 TYR 680.A O no hydrogen 2.771 N/A ASN 704.A N GLN 682.A OE1 no hydrogen 2.557 N/A ILE 706.A N ASP 878.A OD2 no hydrogen 2.820 N/A ALA 708.A N ILE 879.A O no hydrogen 2.816 N/A VAL 709.A N TYR 955.A O no hydrogen 3.048 N/A THR 713.A OG1 PHE 712.A O no hydrogen 2.549 N/A GLY 714.A N PHE 712.A O no hydrogen 2.440 N/A ASN 716.A ND2 MET 710.A O no hydrogen 3.595 N/A ASN 716.A ND2 ILE 880.A O no hydrogen 2.667 N/A SER 720.A OG TYR 715.A O no hydrogen 3.478 N/A SER 720.A OG VAL 858.A O no hydrogen 3.142 N/A ILE 721.A N VAL 858.A O no hydrogen 3.427 N/A ASN 724.A N ASP 878.A O no hydrogen 3.307 N/A SER 727.A N ASN 724.A OD1 no hydrogen 2.436 N/A SER 727.A OG ASP 878.A OD1 no hydrogen 2.630 N/A GLU 729.A N ARG 725.A O no hydrogen 3.019 N/A ARG 730.A N SER 726.A O no hydrogen 2.826 N/A ARG 730.A NH1 GLN 865.A OE1 no hydrogen 2.646 N/A ARG 730.A NH2 GLN 865.A OE1 no hydrogen 3.155 N/A GLY 731.A N VAL 728.A O no hydrogen 2.964 N/A MET 732.A N SER 727.A O no hydrogen 2.930 N/A TYR 733.A OH TYR 961.A O no hydrogen 2.501 N/A ARG 734.A N GLY 731.A O no hydrogen 2.995 N/A ARG 734.A NE VAL 728.A O no hydrogen 3.301 N/A SER 735.A N ARG 841.A O no hydrogen 3.197 N/A THR 736.A N LEU 677.A O no hydrogen 2.949 N/A THR 736.A OG1 HIS 679.A NE2 no hydrogen 2.662 N/A THR 736.A OG1 SER 735.A O no hydrogen 2.790 N/A PHE 737.A N ASP 839.A O no hydrogen 3.141 N/A PHE 738.A N ALA 675.A O no hydrogen 3.015 N/A ARG 739.A NH1 GLU 814.A OE2 no hydrogen 3.011 N/A TYR 741.A N VAL 835.A O no hydrogen 2.937 N/A LYS 747.A NZ LYS 755.A O no hydrogen 2.450 N/A LYS 747.A NZ VAL 797.A O no hydrogen 2.473 N/A ILE 756.A N GLU 745.A OE2 no hydrogen 3.192 N/A GLY 762.A N TYR 766.A OH no hydrogen 2.460 N/A ARG 764.A N TYR 766.A OH no hydrogen 3.106 N/A GLY 765.A N LYS 803.A O no hydrogen 3.496 N/A TYR 772.A OH GLY 768.A O no hydrogen 3.263 N/A LEU 775.A N TYR 772.A O no hydrogen 2.699 N/A GLU 776.A N VAL 780.A O no hydrogen 2.990 N/A ASP 777.A N ASP 777.A OD1 no hydrogen 2.314 N/A GLY 779.A N GLU 776.A O no hydrogen 3.433 N/A VAL 781.A N LEU 793.A O no hydrogen 3.331 N/A SER 782.A OG GLU 776.A OE1 no hydrogen 3.052 N/A SER 782.A OG GLU 776.A OE2 no hydrogen 3.145 N/A VAL 787.A N GLY 816.A O no hydrogen 3.022 N/A LYS 788.A N ASP 791.A OD2 no hydrogen 3.505 N/A LYS 788.A NZ GLU 786.A OE1 no hydrogen 3.288 N/A ASP 791.A N LYS 788.A O no hydrogen 3.204 N/A LEU 793.A N ILE 808.A O no hydrogen 2.988 N/A ILE 794.A N ILE 808.A O no hydrogen 3.085 N/A GLY 795.A N GLY 779.A O no hydrogen 2.706 N/A LYS 796.A NZ THR 743.A OG1 no hydrogen 2.959 N/A LYS 796.A NZ GLU 744.A O no hydrogen 3.179 N/A SER 798.A N ARG 804.A O no hydrogen 2.991 N/A SER 798.A OG THR 806.A OG1 no hydrogen 3.145 N/A ALA 802.A N VAL 763.A O no hydrogen 2.796 N/A ARG 804.A N SER 798.A O no hydrogen 2.912 N/A THR 806.A OG1 SER 798.A OG no hydrogen 3.145 N/A THR 806.A OG1 ARG 804.A O no hydrogen 3.557 N/A SER 807.A N ASP 805.A O no hydrogen 2.387 N/A SER 807.A OG ASP 805.A O no hydrogen 3.152 N/A SER 807.A OG ASP 805.A OD1 no hydrogen 2.713 N/A THR 810.A N ASP 791.A O no hydrogen 2.941 N/A THR 810.A OG1 ASP 791.A O no hydrogen 2.764 N/A GLU 814.A N ARG 811.A O no hydrogen 3.238 N/A GLY 816.A N VAL 787.A O no hydrogen 2.951 N/A VAL 818.A N VAL 785.A O no hydrogen 3.154 N/A ASP 819.A N ARG 836.A O no hydrogen 2.781 N/A LEU 820.A N ARG 836.A O no hydrogen 3.020 N/A LEU 822.A N LYS 834.A O no hydrogen 3.284 N/A THR 824.A N LEU 832.A O no hydrogen 2.925 N/A THR 826.A OG1 GLU 744.A OE2 no hydrogen 2.890 N/A LEU 832.A N ASN 830.A O no hydrogen 2.586 N/A VAL 833.A N THR 743.A O no hydrogen 3.231 N/A LYS 834.A N LEU 822.A O no hydrogen 3.062 N/A LYS 834.A NZ ARG 82.A O no hydrogen 3.119 N/A LYS 834.A NZ THR 671.A O no hydrogen 3.379 N/A VAL 835.A N TYR 741.A O no hydrogen 2.827 N/A ARG 836.A N LEU 820.A O no hydrogen 2.669 N/A VAL 837.A N ARG 739.A O no hydrogen 2.966 N/A ARG 838.A NH1 ASP 819.A OD2 no hydrogen 2.728 N/A THR 844.A N ASP 847.A OD2 no hydrogen 2.713 N/A THR 844.A OG1 ILE 842.A O no hydrogen 3.455 N/A GLY 846.A N ILE 859.A O no hydrogen 3.065 N/A LYS 848.A N HIS 966.A O no hydrogen 3.263 N/A PHE 849.A N GLY 857.A O no hydrogen 3.045 N/A ALA 850.A N GLN 962.A O no hydrogen 3.017 N/A SER 851.A OG GLN 894.A OE1 no hydrogen 2.816 N/A ARG 852.A NE ILE 637.A O no hydrogen 3.239 N/A ARG 852.A NH2 ILE 637.A O no hydrogen 3.146 N/A ARG 852.A NH2 VAL 686.A O no hydrogen 2.741 N/A HIS 853.A N SER 851.A OG no hydrogen 3.132 N/A GLN 855.A N SER 851.A OG no hydrogen 3.023 N/A ILE 859.A N ASP 847.A O no hydrogen 3.005 N/A GLY 860.A N ILE 721.A O no hydrogen 2.462 N/A ILE 863.A N MET 723.A O no hydrogen 3.116 N/A ASP 867.A N PRO 864.A O no hydrogen 3.018 N/A MET 868.A N PRO 864.A O no hydrogen 3.396 N/A TYR 870.A N TYR 942.A O no hydrogen 2.807 N/A THR 871.A N VAL 875.A O no hydrogen 3.002 N/A THR 871.A OG1 VAL 875.A O no hydrogen 3.286 N/A ASP 878.A N ILE 706.A O no hydrogen 2.776 N/A ILE 879.A N ILE 706.A O no hydrogen 3.365 N/A ILE 880.A N ILE 722.A O no hydrogen 3.152 N/A ALA 885.A N ASN 882.A O no hydrogen 2.679 N/A LEU 886.A N PRO 883.A O no hydrogen 3.294 N/A ARG 889.A N LEU 886.A O no hydrogen 2.892 N/A MET 890.A N PRO 887.A O no hydrogen 3.118 N/A THR 891.A OG1 THR 891.A O no hydrogen 2.430 N/A LEU 892.A N HIS 643.A O no hydrogen 3.165 N/A GLN 894.A N LEU 892.A O no hydrogen 2.459 N/A GLU 897.A N GLY 893.A O no hydrogen 2.536 N/A GLY 898.A N GLN 894.A O no hydrogen 3.136 N/A ILE 899.A N ILE 895.A O no hydrogen 2.997 N/A ALA 900.A N MET 896.A O no hydrogen 2.711 N/A GLY 901.A N GLU 897.A O no hydrogen 2.705 N/A LYS 902.A N ILE 899.A O no hydrogen 2.801 N/A LYS 902.A NZ ALA 937.A O no hydrogen 3.494 N/A LYS 902.A NZ GLU 939.A OE1 no hydrogen 2.899 N/A TYR 903.A N ILE 899.A O no hydrogen 3.302 N/A ALA 905.A N GLY 901.A O no hydrogen 3.371 N/A ALA 905.A N LYS 902.A O no hydrogen 3.145 N/A LEU 906.A N LYS 902.A O no hydrogen 3.080 N/A ASN 909.A ND2 TYR 903.A OH no hydrogen 2.645 N/A ALA 913.A N GLN 687.A O no hydrogen 2.653 N/A THR 914.A OG1 ASP 912.A OD1 no hydrogen 2.960 N/A THR 914.A OG1 ASP 912.A OD2 no hydrogen 2.517 N/A PHE 916.A N THR 914.A O no hydrogen 2.623 N/A TYR 917.A N THR 914.A O no hydrogen 2.998 N/A GLN 923.A N PRO 920.A O no hydrogen 2.720 N/A GLN 925.A N ILE 921.A O no hydrogen 3.029 N/A GLU 927.A N GLN 923.A O no hydrogen 3.358 N/A ILE 928.A N LEU 924.A O no hydrogen 2.960 N/A LEU 929.A N GLN 925.A O no hydrogen 3.172 N/A ARG 930.A N ASN 926.A O no hydrogen 3.258 N/A TYR 931.A N GLU 927.A O no hydrogen 2.682 N/A GLY 932.A N LEU 929.A O no hydrogen 3.303 N/A TYR 933.A N ILE 928.A O no hydrogen 2.816 N/A ALA 937.A N LEU 934.A O no hydrogen 2.706 N/A THR 938.A OG1 ASP 936.A O no hydrogen 3.080 N/A GLU 939.A N ILE 954.A O no hydrogen 2.712 N/A TYR 942.A N TYR 870.A O no hydrogen 2.477 N/A ASP 943.A N GLN 948.A O no hydrogen 2.990 N/A THR 946.A N ASP 943.A O no hydrogen 2.541 N/A GLY 947.A N ASP 943.A O no hydrogen 2.858 N/A GLN 948.A N THR 946.A OG1 no hydrogen 2.845 N/A LYS 949.A NZ ILE 950.A O no hydrogen 3.564 N/A ILE 950.A N VAL 941.A O no hydrogen 3.243 N/A TYR 955.A OH ILE 895.A O no hydrogen 2.525 N/A PHE 956.A N ALA 937.A O no hydrogen 3.049 N/A VAL 958.A N GLY 898.A O no hydrogen 2.776 N/A VAL 959.A N ALA 705.A O no hydrogen 2.959 N/A TYR 960.A N GLU 897.A OE2 no hydrogen 2.768 N/A TYR 961.A N ASN 703.A O no hydrogen 2.955 N/A GLN 962.A N ALA 850.A O no hydrogen 2.760 N/A LYS 963.A NZ TYR 733.A O no hydrogen 2.607 N/A LEU 964.A N LYS 848.A O no hydrogen 3.265 N/A VAL 968.A N ASP 847.A OD1 no hydrogen 2.967 N/A LYS 971.A N VAL 968.A O no hydrogen 2.713 N/A GLN 981.A N GLN 986.A O no hydrogen 2.894 N/A ARG 985.A N GLN 981.A O no hydrogen 2.645 N/A GLN 986.A NE2 ASP 1025.A OD1 no hydrogen 3.444 N/A THR 988.A N PRO 979.A O no hydrogen 3.053 N/A THR 988.A OG1 PRO 979.A O no hydrogen 2.992 N/A THR 988.A OG1 ARG 993.A O no hydrogen 3.186 N/A THR 988.A OG1 GLU 994.A O no hydrogen 2.663 N/A ARG 991.A NH1 ALA 969.A O no hydrogen 2.891 N/A ARG 991.A NH2 ALA 969.A O no hydrogen 2.957 N/A ARG 993.A N GLY 990.A O no hydrogen 2.979 N/A GLU 994.A N ARG 991.A O no hydrogen 2.983 N/A MET 1002.A N GLU 1001.A OE1 no hydrogen 3.079 N/A GLU 1003.A N GLY 1000.A O no hydrogen 2.696 N/A ARG 1004.A N GLU 1001.A O no hydrogen 3.131 N/A ARG 1004.A NH1 ASP 1005.A OD2 no hydrogen 1.919 N/A ASP 1005.A N GLU 1001.A O no hydrogen 3.239 N/A CYS 1006.A N GLU 1003.A O no hydrogen 2.998 N/A LEU 1007.A N ARG 1004.A O no hydrogen 2.375 N/A GLY 1009.A N ASP 1005.A O no hydrogen 3.228 N/A ALA 1013.A N GLY 1011.A O no hydrogen 3.216 N/A LEU 1016.A N THR 1012.A O no hydrogen 3.215 N/A LYS 1017.A N MET 1014.A O no hydrogen 3.066 N/A LYS 1017.A NZ ASP 1022.A OD2 no hydrogen 2.737 N/A ASP 1018.A N LEU 1015.A O no hydrogen 2.851 N/A ARG 1019.A NE ASP 1018.A O no hydrogen 2.935 N/A ARG 1019.A NH2 ASP 1018.A OD1 no hydrogen 2.852 N/A LEU 1020.A N LEU 1016.A O no hydrogen 3.079 N/A ASP 1022.A N LYS 1017.A O no hydrogen 2.877 N/A SER 1024.A N LEU 1021.A O no hydrogen 3.476 N/A SER 1024.A OG ASN 1023.A O no hydrogen 2.886 N/A ASP 1025.A N LEU 1021.A O no hydrogen 3.324 N/A THR 1027.A N ASP 1025.A O no hydrogen 2.563 N/A THR 1027.A OG1 ASP 1025.A O no hydrogen 3.439 N/A ILE 1029.A N VAL 1062.A O no hydrogen 2.742 N/A VAL 1031.A N PHE 1060.A O no hydrogen 2.907 N/A LYS 1047.A N ASN 1044.A O no hydrogen 2.808 N/A LYS 1047.A NZ LYS 1045.A O no hydrogen 3.558 N/A TYR 1048.A OH ASP 1055.A OD1 no hydrogen 2.632 N/A CYS 1050.A SG ILE 1052.A O no hydrogen 3.674 N/A SER 1057.A OG LYS 1056.A O no hydrogen 2.171 N/A ASN 1058.A N ASP 1055.A O no hydrogen 3.163 N/A PHE 1060.A N VAL 1031.A O no hydrogen 3.384 N/A VAL 1062.A N ILE 1029.A O no hydrogen 2.504 N/A VAL 1064.A N THR 1027.A O no hydrogen 3.066 N/A SER 1065.A OG ASP 1025.A OD2 no hydrogen 2.608 N/A TYR 1066.A OH LEU 983.A O no hydrogen 3.138 N/A ALA 1067.A N SER 1065.A OG no hydrogen 3.218 N/A PHE 1068.A N SER 1065.A O no hydrogen 2.767 N/A LYS 1069.A NZ TYR 1066.A OH no hydrogen 2.806 N/A LEU 1070.A N TYR 1066.A O no hydrogen 3.201 N/A ILE 1072.A N PHE 1068.A O no hydrogen 2.843 N/A GLN 1073.A N LYS 1069.A O no hydrogen 3.198 N/A GLU 1074.A N LEU 1070.A O no hydrogen 2.697 N/A LEU 1075.A N LEU 1071.A O no hydrogen 2.696 N/A MET 1076.A N ILE 1072.A O no hydrogen 2.765 N/A SER 1077.A N GLN 1073.A O no hydrogen 2.663 N/A SER 1077.A OG GLN 1073.A O no hydrogen 3.096 N/A SER 1077.A OG GLU 1074.A O no hydrogen 2.702 N/A MET 1078.A N GLU 1074.A O no hydrogen 2.886 N/A MET 1078.A N LEU 1075.A O no hydrogen 3.110 N/A ILE 1079.A N MET 1076.A O no hydrogen 2.669 N/A ILE 1080.A N LEU 1075.A O no hydrogen 2.755 N/A