Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8g5j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 11.A N LEU 886.A O no hydrogen 3.419 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 2.398 N/A VAL 31.A N VAL 27.A O no hydrogen 3.114 N/A HIS 33.A N ARG 29.A O no hydrogen 3.108 N/A LEU 34.A N SER 30.A O no hydrogen 2.897 N/A GLN 35.A N GLU 32.A O no hydrogen 3.053 N/A LEU 52.A N GLN 13.A OE1 no hydrogen 2.584 N/A ASN 61.A ND2 TYR 879.A OH no hydrogen 2.713 N/A HIS 65.A N ASN 61.A O no hydrogen 2.581 N/A PHE 66.A N LEU 62.A O no hydrogen 2.943 N/A ARG 67.A N ASP 63.A O no hydrogen 2.901 N/A ARG 67.A NE ASP 63.A OD2 no hydrogen 3.342 N/A LEU 68.A N GLN 64.A O no hydrogen 2.881 N/A LEU 69.A N HIS 65.A O no hydrogen 2.964 N/A ALA 70.A N PHE 66.A O no hydrogen 2.918 N/A GLN 71.A N ARG 67.A O no hydrogen 2.885 N/A LYS 72.A N LEU 68.A O no hydrogen 2.922 N/A GLN 73.A N LEU 69.A O no hydrogen 2.946 N/A GLN 73.A NE2 VAL 827.A O no hydrogen 2.991 N/A SER 74.A N ALA 70.A O no hydrogen 2.911 N/A SER 74.A OG ALA 70.A O no hydrogen 2.773 N/A TYR 77.A OH ARG 209.A O no hydrogen 2.858 N/A LEU 78.A N SER 74.A O no hydrogen 2.824 N/A GLU 79.A N LEU 75.A O no hydrogen 2.961 N/A ALA 80.A N PRO 76.A O no hydrogen 2.931 N/A ALA 81.A N TYR 77.A O no hydrogen 2.906 N/A ASN 82.A N LEU 78.A O no hydrogen 2.915 N/A LEU 83.A N GLU 79.A O no hydrogen 2.879 N/A LEU 84.A N ALA 80.A O no hydrogen 2.965 N/A LEU 85.A N ALA 81.A O no hydrogen 2.906 N/A GLN 86.A N ASN 82.A O no hydrogen 3.190 N/A TRP 96.A N GLN 287.A OE1 no hydrogen 3.234 N/A ALA 97.A N TYR 105.A OH no hydrogen 2.718 N/A GLY 101.A N CYS 151.A O no hydrogen 2.923 N/A TRP 102.A NE1 ASP 170.A O no hydrogen 2.659 N/A THR 103.A N SER 149.A O no hydrogen 2.888 N/A ARG 104.A N VAL 112.A O no hydrogen 2.889 N/A TYR 105.A N TRP 147.A O no hydrogen 2.922 N/A TYR 105.A OH SER 149.A OG no hydrogen 2.400 N/A GLY 106.A N GLU 110.A O no hydrogen 3.205 N/A GLY 109.A N GLY 106.A O no hydrogen 3.127 N/A VAL 112.A N ARG 104.A O no hydrogen 2.928 N/A VAL 114.A N TRP 102.A O no hydrogen 2.919 N/A ARG 120.A NH2 GLU 79.A OE2 no hydrogen 3.022 N/A LEU 122.A N LEU 186.A O no hydrogen 3.167 N/A VAL 123.A N ILE 142.A O no hydrogen 2.902 N/A PHE 124.A N VAL 188.A O no hydrogen 2.983 N/A ASP 125.A N VAL 140.A O no hydrogen 2.982 N/A VAL 126.A N ASP 195.A OD1 no hydrogen 3.082 N/A CYS 135.A SG PRO 136.A O no hydrogen 3.818 N/A CYS 135.A SG GLN 153.A OE1 no hydrogen 3.398 N/A ALA 139.A N TRP 150.A O no hydrogen 3.123 N/A VAL 140.A N ASP 125.A O no hydrogen 2.847 N/A ALA 141.A N TYR 148.A O no hydrogen 2.886 N/A ILE 142.A N VAL 123.A O no hydrogen 2.919 N/A SER 143.A N ALA 146.A O no hydrogen 3.095 N/A SER 145.A N SER 143.A OG no hydrogen 2.916 N/A TRP 147.A NE1 PRO 90.A O no hydrogen 2.922 N/A TYR 148.A N ALA 141.A O no hydrogen 2.883 N/A TYR 148.A OH PRO 117.A O no hydrogen 3.250 N/A TYR 148.A OH GLU 119.A OE2 no hydrogen 2.310 N/A SER 149.A N THR 103.A O no hydrogen 2.915 N/A SER 149.A OG THR 103.A O no hydrogen 3.565 N/A SER 149.A OG TYR 105.A OH no hydrogen 2.400 N/A TRP 150.A N ALA 139.A O no hydrogen 3.155 N/A CYS 151.A N GLY 101.A O no hydrogen 2.946 N/A CYS 151.A SG ALA 97.A O no hydrogen 3.702 N/A SER 152.A OG PRO 136.A O no hydrogen 3.440 N/A TYR 160.A OH GLN 153.A O no hydrogen 2.920 N/A ALA 169.A N HIS 198.A O no hydrogen 2.803 N/A LEU 171.A N GLU 201.A OE1 no hydrogen 3.301 N/A ILE 172.A N GLU 201.A OE1 no hydrogen 3.332 N/A GLN 183.A N ASP 181.A O no hydrogen 2.728 N/A LEU 186.A N ARG 120.A O no hydrogen 3.308 N/A VAL 187.A N ARG 211.A O no hydrogen 2.914 N/A VAL 188.A N LEU 122.A O no hydrogen 2.794 N/A GLY 189.A N LEU 213.A O no hydrogen 2.954 N/A HIS 190.A NE2 ASN 251.A O no hydrogen 2.768 N/A ASN 191.A N ASP 214.A OD1 no hydrogen 2.981 N/A SER 193.A OG VAL 591.A O no hydrogen 3.081 N/A PHE 194.A N ASN 191.A O no hydrogen 2.935 N/A ARG 196.A N VAL 192.A O no hydrogen 2.857 N/A ARG 196.A NE GLN 202.A OE1 no hydrogen 2.573 N/A ARG 196.A NH1 SER 330.A O no hydrogen 2.702 N/A ARG 196.A NH2 GLN 202.A OE1 no hydrogen 3.491 N/A ARG 196.A NH2 SER 330.A O no hydrogen 2.503 N/A ALA 197.A N SER 193.A O no hydrogen 2.930 N/A HIS 198.A N ASP 195.A O no hydrogen 3.244 N/A HIS 198.A ND1 PHE 194.A O no hydrogen 2.594 N/A ILE 199.A N ARG 196.A O no hydrogen 3.126 N/A ARG 200.A N ALA 169.A O no hydrogen 2.463 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.732 N/A GLN 202.A N ILE 199.A O no hydrogen 3.462 N/A TYR 203.A OH ALA 197.A O no hydrogen 2.614 N/A GLN 206.A N GLN 206.A OE1 no hydrogen 2.769 N/A ARG 209.A NH1 TRP 182.A O no hydrogen 2.929 N/A ARG 211.A N GLN 185.A O no hydrogen 2.928 N/A ARG 211.A NH1 MET 210.A O no hydrogen 2.938 N/A LEU 213.A N VAL 187.A O no hydrogen 2.895 N/A THR 215.A N GLY 189.A O no hydrogen 2.860 N/A MET 216.A N ASP 214.A OD1 no hydrogen 2.914 N/A SER 217.A OG ASP 214.A O no hydrogen 2.567 N/A MET 218.A N ASP 214.A O no hydrogen 3.144 N/A HIS 219.A N THR 215.A O no hydrogen 2.898 N/A HIS 219.A ND1 ASN 251.A OD1 no hydrogen 2.775 N/A MET 220.A N MET 216.A O no hydrogen 2.919 N/A ALA 221.A N SER 217.A O no hydrogen 2.928 N/A ILE 222.A N MET 218.A O no hydrogen 2.874 N/A SER 223.A N HIS 219.A O no hydrogen 2.689 N/A SER 223.A OG TYR 260.A OH no hydrogen 2.434 N/A GLN 229.A N SER 226.A OG no hydrogen 3.193 N/A GLN 229.A NE2 ALA 795.A O no hydrogen 3.402 N/A ARG 230.A N SER 226.A O no hydrogen 2.610 N/A SER 231.A N SER 227.A O no hydrogen 2.926 N/A SER 231.A OG PHE 228.A O no hydrogen 2.608 N/A LEU 232.A N PHE 228.A O no hydrogen 2.933 N/A TRP 233.A N GLN 229.A O no hydrogen 2.855 N/A TRP 233.A NE1 LEU 245.A O no hydrogen 3.311 N/A ILE 234.A N ARG 230.A O no hydrogen 2.917 N/A ALA 235.A N SER 231.A O no hydrogen 2.912 N/A ALA 236.A N LEU 232.A O no hydrogen 2.896 N/A LYS 237.A N ILE 234.A O no hydrogen 3.143 N/A LYS 237.A NZ ALA 235.A O no hydrogen 3.507 N/A SER 240.A OG ILE 239.A O no hydrogen 2.635 N/A TRP 244.A NE1 SER 241.A O no hydrogen 3.107 N/A ILE 247.A N TRP 244.A O no hydrogen 3.408 N/A SER 248.A OG TRP 244.A O no hydrogen 2.545 N/A SER 249.A OG HIS 219.A NE2 no hydrogen 2.981 N/A SER 249.A OG VAL 250.A O no hydrogen 3.457 N/A VAL 256.A N SER 252.A O no hydrogen 2.952 N/A HIS 257.A N LEU 253.A O no hydrogen 2.886 N/A ARG 258.A N ALA 254.A O no hydrogen 2.919 N/A ARG 258.A NH2 GLU 255.A OE2 no hydrogen 3.047 N/A LEU 259.A N GLU 255.A O no hydrogen 2.907 N/A TYR 260.A N VAL 256.A O no hydrogen 2.939 N/A VAL 261.A N HIS 257.A O no hydrogen 2.804 N/A GLY 262.A N HIS 257.A O no hydrogen 2.905 N/A VAL 275.A N GLU 272.A O no hydrogen 3.114 N/A LYS 276.A N GLU 272.A O no hydrogen 3.186 N/A LYS 276.A NZ GLU 272.A OE2 no hydrogen 2.838 N/A THR 278.A N ASP 281.A OD2 no hydrogen 2.545 N/A THR 278.A OG1 ASP 281.A OD2 no hydrogen 2.837 N/A ILE 282.A N THR 278.A O no hydrogen 3.440 N/A ARG 283.A N MET 279.A O no hydrogen 2.972 N/A GLU 284.A N LYS 280.A O no hydrogen 3.048 N/A ASN 285.A N ASP 281.A O no hydrogen 3.034 N/A GLN 287.A NE2 TRP 96.A O no hydrogen 3.218 N/A LEU 289.A N ASN 285.A O no hydrogen 3.008 N/A MET 290.A N PHE 286.A O no hydrogen 2.805 N/A GLN 291.A N GLN 287.A O no hydrogen 2.813 N/A GLN 291.A NE2 GLN 291.A O no hydrogen 3.366 N/A TYR 292.A N ASP 288.A O no hydrogen 2.923 N/A CYS 293.A N LEU 289.A O no hydrogen 3.140 N/A CYS 293.A SG ASP 125.A OD2 no hydrogen 3.290 N/A CYS 293.A SG LEU 138.A O no hydrogen 3.778 N/A ALA 294.A N MET 290.A O no hydrogen 3.165 N/A GLN 295.A N GLN 291.A O no hydrogen 3.085 N/A ASP 296.A N TYR 292.A O no hydrogen 2.944 N/A VAL 297.A N CYS 293.A O no hydrogen 2.916 N/A TRP 298.A N ALA 294.A O no hydrogen 2.880 N/A ALA 299.A N GLN 295.A O no hydrogen 2.908 N/A THR 300.A N ASP 296.A O no hydrogen 2.914 N/A THR 300.A OG1 ASP 296.A O no hydrogen 2.917 N/A HIS 301.A N VAL 297.A O no hydrogen 2.889 N/A GLU 302.A N TRP 298.A O no hydrogen 2.962 N/A VAL 303.A N ALA 299.A O no hydrogen 2.924 N/A PHE 304.A N THR 300.A O no hydrogen 2.853 N/A GLN 305.A N HIS 301.A O no hydrogen 2.931 N/A GLN 305.A NE2 LEU 84.A O no hydrogen 3.665 N/A GLN 306.A N GLU 302.A O no hydrogen 2.982 N/A GLN 307.A N PHE 304.A O no hydrogen 3.145 N/A GLN 307.A NE2 THR 215.A O no hydrogen 3.341 N/A LEU 308.A N PHE 304.A O no hydrogen 2.950 N/A PHE 311.A N GLN 307.A O no hydrogen 2.717 N/A LEU 312.A N LEU 308.A O no hydrogen 2.913 N/A GLU 313.A N PRO 309.A O no hydrogen 2.928 N/A ARG 314.A N LEU 310.A O no hydrogen 2.927 N/A ARG 314.A NH1 GLU 797.A OE2 no hydrogen 3.283 N/A ARG 314.A NH2 ILE 792.A O no hydrogen 2.549 N/A ARG 314.A NH2 GLU 797.A OE2 no hydrogen 2.629 N/A CYS 315.A N PHE 311.A O no hydrogen 2.733 N/A HIS 317.A NE2 ASP 63.A OD1 no hydrogen 3.114 N/A THR 320.A N HIS 317.A O no hydrogen 3.188 N/A ALA 322.A N PRO 318.A O no hydrogen 2.943 N/A GLY 323.A N VAL 319.A O no hydrogen 2.852 N/A MET 324.A N THR 320.A O no hydrogen 2.941 N/A LEU 325.A N LEU 321.A O no hydrogen 2.897 N/A GLU 326.A N ALA 322.A O no hydrogen 2.941 N/A MET 327.A N GLY 323.A O no hydrogen 2.873 N/A GLY 328.A N MET 324.A O no hydrogen 2.971 N/A VAL 329.A N GLU 326.A O no hydrogen 3.282 N/A TYR 331.A N CYS 843.A O no hydrogen 3.231 N/A TYR 331.A OH TYR 203.A O no hydrogen 3.086 N/A LEU 332.A N ILE 587.A O no hydrogen 2.934 N/A VAL 334.A N GLY 585.A O no hydrogen 2.893 N/A ASN 335.A ND2 GLN 626.A OE1 no hydrogen 2.652 N/A GLN 336.A NE2 ASN 337.A OD1 no hydrogen 3.516 N/A ASN 337.A ND2 GLN 626.A OE1 no hydrogen 3.094 N/A TRP 338.A N ASN 335.A O no hydrogen 2.998 N/A GLU 339.A N GLN 336.A O no hydrogen 3.225 N/A ARG 340.A N GLN 336.A O no hydrogen 3.501 N/A ARG 340.A NE GLU 344.A OE2 no hydrogen 3.302 N/A ARG 340.A NH2 GLU 344.A OE2 no hydrogen 3.195 N/A TYR 341.A N ASN 337.A O no hydrogen 2.848 N/A TYR 341.A OH GLY 618.A O no hydrogen 2.742 N/A LEU 342.A N TRP 338.A O no hydrogen 2.942 N/A ALA 343.A N GLU 339.A O no hydrogen 2.915 N/A GLU 344.A N ARG 340.A O no hydrogen 2.848 N/A ALA 345.A N TYR 341.A O no hydrogen 2.874 N/A GLN 346.A N LEU 342.A O no hydrogen 2.952 N/A GLY 347.A N ALA 343.A O no hydrogen 2.855 N/A THR 348.A N GLU 344.A O no hydrogen 2.866 N/A THR 348.A OG1 GLU 344.A O no hydrogen 2.775 N/A TYR 349.A N ALA 345.A O no hydrogen 2.951 N/A GLU 350.A N GLN 346.A O no hydrogen 2.878 N/A GLU 351.A N GLY 347.A O no hydrogen 2.895 N/A LEU 352.A N THR 348.A O no hydrogen 2.927 N/A GLN 353.A N TYR 349.A O no hydrogen 2.951 N/A ARG 354.A N GLU 350.A O no hydrogen 2.817 N/A GLU 355.A N GLU 351.A O no hydrogen 2.854 N/A MET 356.A N LEU 352.A O no hydrogen 3.043 N/A LYS 357.A N GLN 353.A O no hydrogen 2.830 N/A LYS 358.A N ARG 354.A O no hydrogen 2.810 N/A SER 359.A N GLU 355.A O no hydrogen 3.010 N/A LEU 360.A N MET 356.A O no hydrogen 3.002 N/A MET 361.A N LYS 357.A O no hydrogen 2.796 N/A ASP 362.A N LYS 358.A O no hydrogen 2.907 N/A LEU 363.A N SER 359.A O no hydrogen 3.010 N/A ALA 364.A N LEU 360.A O no hydrogen 2.939 N/A ASN 365.A N MET 361.A O no hydrogen 2.864 N/A ASP 366.A N ASP 362.A O no hydrogen 2.936 N/A ALA 367.A N LEU 363.A O no hydrogen 2.917 N/A CYS 368.A N ALA 364.A O no hydrogen 2.969 N/A CYS 368.A N ASN 365.A O no hydrogen 3.275 N/A CYS 368.A SG ALA 364.A O no hydrogen 3.486 N/A GLN 369.A N ASP 366.A O no hydrogen 3.370 N/A LEU 370.A N ALA 367.A O no hydrogen 3.212 N/A GLU 374.A N LEU 371.A O no hydrogen 3.168 N/A ARG 375.A NH2 ALA 367.A O no hydrogen 2.924 N/A TYR 376.A N GLY 373.A O no hydrogen 3.395 N/A GLU 378.A N ARG 375.A O no hydrogen 3.433 N/A LEU 382.A N ASP 379.A OD2 no hydrogen 3.259 N/A LEU 385.A N LEU 382.A O no hydrogen 3.458 N/A GLN 390.A N PRO 437.A O no hydrogen 3.396 N/A LYS 395.A N PHE 392.A O no hydrogen 3.001 N/A LYS 395.A NZ GLN 434.A OE1 no hydrogen 3.115 N/A SER 404.A N PRO 402.A O no hydrogen 2.720 N/A SER 404.A OG GLU 406.A OE2 no hydrogen 3.426 N/A GLN 411.A N GLU 407.A O no hydrogen 2.826 N/A ASP 412.A N GLU 408.A O no hydrogen 2.872 N/A VAL 413.A N PHE 409.A O no hydrogen 2.915 N/A MET 414.A N GLN 410.A O no hydrogen 2.906 N/A ALA 415.A N GLN 411.A O no hydrogen 2.902 N/A ARG 416.A N ASP 412.A O no hydrogen 2.877 N/A ALA 417.A N VAL 413.A O no hydrogen 2.880 N/A CYS 418.A N MET 414.A O no hydrogen 2.927 N/A CYS 418.A N ALA 415.A O no hydrogen 3.132 N/A LEU 419.A N ARG 416.A O no hydrogen 3.175 N/A LEU 422.A N LEU 419.A O no hydrogen 3.331 N/A LYS 423.A N GLN 420.A O no hydrogen 3.156 N/A LYS 423.A NZ GLN 394.A OE1 no hydrogen 3.035 N/A GLY 424.A N LYS 421.A O no hydrogen 2.981 N/A THR 425.A OG1 LEU 422.A O no hydrogen 2.458 N/A THR 426.A N LEU 422.A O no hydrogen 3.216 N/A THR 426.A OG1 LYS 423.A O no hydrogen 2.805 N/A GLU 427.A N GLY 424.A O no hydrogen 2.999 N/A LEU 428.A N LYS 423.A O no hydrogen 2.644 N/A LEU 429.A N LYS 423.A O no hydrogen 3.254 N/A GLN 434.A NE2 PHE 392.A O no hydrogen 3.369 N/A HIS 435.A NE2 PRO 448.A O no hydrogen 2.915 N/A TYR 443.A OH ASN 365.A OD1 no hydrogen 2.730 N/A ARG 444.A N PRO 440.A O no hydrogen 3.069 N/A ARG 444.A NE LEU 436.A O no hydrogen 3.054 N/A ARG 444.A NE HIS 439.A O no hydrogen 3.210 N/A ARG 444.A NH2 HIS 439.A O no hydrogen 3.479 N/A LYS 445.A N GLY 441.A O no hydrogen 2.940 N/A LEU 446.A N TRP 442.A O no hydrogen 2.945 N/A CYS 447.A N ARG 444.A O no hydrogen 3.035 N/A CYS 447.A SG TYR 443.A O no hydrogen 3.091 N/A ARG 449.A NH2 PRO 433.A O no hydrogen 3.320 N/A ALA 454.A N ASP 452.A OD1 no hydrogen 2.646 N/A TRP 455.A N ASP 452.A O no hydrogen 3.405 N/A THR 456.A OG1 SER 460.A OG no hydrogen 2.575 N/A SER 460.A N GLY 458.A O no hydrogen 2.847 N/A SER 460.A OG THR 456.A O no hydrogen 3.358 N/A SER 460.A OG THR 456.A OG1 no hydrogen 2.575 N/A SER 460.A OG PRO 457.A O no hydrogen 2.842 N/A LEU 461.A N LEU 446.A O no hydrogen 3.126 N/A LEU 462.A N PRO 459.A O no hydrogen 3.294 N/A THR 469.A N MET 466.A O no hydrogen 3.354 N/A LYS 471.A NZ ASP 384.A OD2 no hydrogen 3.061 N/A LEU 472.A N VAL 468.A O no hydrogen 2.956 N/A LEU 472.A N THR 469.A O no hydrogen 2.957 N/A MET 473.A N THR 469.A O no hydrogen 2.935 N/A LEU 475.A N GLN 527.A O no hydrogen 2.647 N/A THR 476.A OG1 GLY 479.A O no hydrogen 3.551 N/A SER 485.A N HIS 483.A ND1 no hydrogen 3.301 N/A CYS 494.A SG ILE 491.A O no hydrogen 3.903 N/A PHE 497.A N TRP 495.A O no hydrogen 2.673 N/A LYS 498.A NZ PHE 496.A O no hydrogen 2.961 N/A LYS 502.A NZ SER 511.A O no hydrogen 2.754 N/A LYS 502.A NZ SER 511.A OG no hydrogen 3.364 N/A SER 506.A OG ASN 505.A O no hydrogen 2.484 N/A MET 521.A N PHE 517.A O no hydrogen 2.977 N/A GLU 522.A N LEU 518.A O no hydrogen 2.934 N/A ASP 523.A N PRO 519.A O no hydrogen 2.881 N/A GLY 524.A N MET 521.A O no hydrogen 3.195 N/A LEU 526.A N LYS 520.A O no hydrogen 3.161 N/A GLN 527.A N LEU 475.A O no hydrogen 3.209 N/A ARG 537.A N ALA 533.A O no hydrogen 2.853 N/A ARG 537.A NE GLU 355.A OE2 no hydrogen 3.250 N/A ARG 537.A NH2 GLU 355.A OE1 no hydrogen 3.503 N/A ARG 537.A NH2 GLU 355.A OE2 no hydrogen 3.341 N/A ALA 538.A N SER 534.A O no hydrogen 2.892 N/A LEU 539.A N GLY 535.A O no hydrogen 2.961 N/A GLU 540.A N PRO 536.A O no hydrogen 2.852 N/A ILE 541.A N ARG 537.A O no hydrogen 2.897 N/A ASN 542.A N ALA 538.A O no hydrogen 2.935 N/A LYS 543.A N LEU 539.A O no hydrogen 2.929 N/A MET 544.A N GLU 540.A O no hydrogen 2.929 N/A ILE 545.A N ILE 541.A O no hydrogen 2.956 N/A SER 546.A OG LYS 543.A O no hydrogen 3.286 N/A ARG 549.A N ILE 545.A O no hydrogen 2.884 N/A ARG 549.A NH2 ASN 542.A OD1 no hydrogen 2.799 N/A ASN 550.A N SER 546.A O no hydrogen 2.967 N/A ALA 551.A N PHE 547.A O no hydrogen 2.919 N/A ALA 551.A N TRP 548.A O no hydrogen 3.202 N/A HIS 552.A N TRP 548.A O no hydrogen 2.852 N/A LYS 553.A NZ HIS 552.A NE2 no hydrogen 3.451 N/A ILE 555.A N ALA 551.A O no hydrogen 2.925 N/A SER 556.A N HIS 552.A O no hydrogen 2.894 N/A SER 556.A OG HIS 552.A O no hydrogen 2.357 N/A SER 557.A OG LYS 553.A O no hydrogen 2.367 N/A SER 557.A OG ARG 554.A O no hydrogen 3.270 N/A GLN 558.A N ILE 555.A O no hydrogen 3.436 N/A VAL 561.A N ALA 586.A O no hydrogen 3.343 N/A LEU 563.A N TYR 584.A O no hydrogen 2.719 N/A VAL 572.A N PRO 569.A O no hydrogen 3.163 N/A ARG 574.A N ARG 570.A O no hydrogen 3.451 N/A HIS 575.A N VAL 572.A O no hydrogen 3.251 N/A TYR 578.A N HIS 575.A O no hydrogen 3.098 N/A GLY 582.A N ASP 579.A O no hydrogen 3.053 N/A LEU 583.A N GLN 336.A OE1 no hydrogen 2.637 N/A GLY 585.A N VAL 334.A O no hydrogen 2.906 N/A ALA 586.A N VAL 561.A O no hydrogen 3.086 N/A ILE 587.A N LEU 332.A O no hydrogen 2.858 N/A VAL 592.A N VAL 602.A O no hydrogen 3.001 N/A GLY 595.A N ARG 600.A O no hydrogen 2.987 N/A THR 596.A OG1 ILE 597.A O no hydrogen 2.374 N/A THR 598.A OG1 ILE 597.A O no hydrogen 2.362 N/A ARG 599.A N THR 596.A O no hydrogen 3.053 N/A ARG 599.A NE SER 816.A OG no hydrogen 3.017 N/A ARG 599.A NH1 ASP 820.A OD1 no hydrogen 3.387 N/A ARG 599.A NH2 SER 816.A OG no hydrogen 2.436 N/A ARG 599.A NH2 ASP 820.A OD1 no hydrogen 3.152 N/A VAL 602.A N VAL 592.A O no hydrogen 3.106 N/A THR 605.A OG1 GLN 558.A OE1 no hydrogen 3.038 N/A TRP 606.A N GLU 603.A OE1 no hydrogen 2.782 N/A LEU 607.A N GLU 603.A O no hydrogen 3.170 N/A THR 608.A OG1 PRO 604.A O no hydrogen 3.023 N/A SER 610.A OG SER 610.A O no hydrogen 2.484 N/A ARG 613.A NH2 ASP 615.A OD2 no hydrogen 3.561 N/A VAL 617.A N MET 544.A O no hydrogen 2.865 N/A LYS 622.A NZ TRP 606.A O no hydrogen 2.642 N/A LYS 622.A NZ THR 608.A O no hydrogen 2.446 N/A MET 624.A N LEU 621.A O no hydrogen 3.295 N/A VAL 625.A N LYS 622.A O no hydrogen 3.041 N/A GLN 626.A NE2 ALA 623.A O no hydrogen 3.441 N/A ALA 627.A N ARG 900.A O no hydrogen 2.815 N/A TYR 631.A N PRO 628.A O no hydrogen 3.113 N/A THR 632.A N VAL 854.A O no hydrogen 2.879 N/A THR 632.A OG1 ASP 899.A O no hydrogen 2.179 N/A LEU 633.A N ASP 899.A O no hydrogen 2.866 N/A VAL 634.A N TYR 852.A O no hydrogen 2.909 N/A GLY 635.A N ASP 897.A O no hydrogen 2.929 N/A ALA 636.A N VAL 850.A O no hydrogen 2.914 N/A TRP 644.A N SER 640.A O no hydrogen 2.702 N/A ILE 645.A N GLN 641.A O no hydrogen 2.904 N/A ALA 646.A N GLU 642.A O no hydrogen 2.903 N/A ALA 647.A N LEU 643.A O no hydrogen 2.857 N/A VAL 648.A N TRP 644.A O no hydrogen 2.749 N/A ASP 651.A N ALA 647.A O no hydrogen 3.323 N/A PHE 654.A N GLY 650.A O no hydrogen 3.062 N/A PHE 654.A N ASP 651.A O no hydrogen 3.037 N/A ALA 655.A N ASP 651.A O no hydrogen 2.715 N/A HIS 658.A NE2 ASP 885.A O no hydrogen 2.582 N/A CYS 660.A SG ASP 651.A O no hydrogen 3.100 N/A CYS 660.A SG MET 657.A O no hydrogen 3.196 N/A ALA 662.A N HIS 33.A NE2 no hydrogen 3.246 N/A TRP 665.A N THR 661.A O no hydrogen 2.597 N/A MET 666.A N ALA 662.A O no hydrogen 2.921 N/A THR 667.A N PHE 663.A O no hydrogen 2.914 N/A THR 667.A OG1 PHE 663.A O no hydrogen 2.824 N/A LEU 668.A N GLY 664.A O no hydrogen 2.902 N/A GLN 669.A N TRP 665.A O no hydrogen 2.767 N/A SER 680.A N ASP 677.A OD2 no hydrogen 2.885 N/A SER 680.A OG ASP 677.A OD1 no hydrogen 2.956 N/A SER 680.A OG ASP 677.A OD2 no hydrogen 2.817 N/A LYS 681.A N ASP 677.A O no hydrogen 3.054 N/A THR 682.A N LEU 678.A O no hydrogen 2.902 N/A THR 682.A OG1 LEU 678.A O no hydrogen 2.785 N/A ALA 683.A N HIS 679.A O no hydrogen 2.921 N/A THR 684.A N SER 680.A O no hydrogen 2.878 N/A THR 684.A N LYS 681.A O no hydrogen 3.250 N/A THR 684.A OG1 SER 680.A O no hydrogen 2.716 N/A THR 685.A OG1 THR 682.A O no hydrogen 2.632 N/A HIS 692.A N SER 689.A OG no hydrogen 2.909 N/A ALA 693.A N SER 689.A O no hydrogen 2.968 N/A LYS 694.A N ARG 690.A O no hydrogen 2.882 N/A ILE 695.A N GLU 691.A O no hydrogen 2.925 N/A PHE 696.A N HIS 692.A O no hydrogen 2.890 N/A ASN 697.A N ALA 693.A O no hydrogen 2.863 N/A TYR 698.A N LYS 694.A O no hydrogen 2.972 N/A ARG 700.A N PHE 696.A O no hydrogen 2.907 N/A ARG 700.A NH2 GLN 730.A O no hydrogen 2.630 N/A ILE 701.A N ASN 697.A O no hydrogen 3.201 N/A ALA 709.A N GLY 705.A O no hydrogen 3.174 N/A GLU 710.A N GLN 706.A O no hydrogen 2.898 N/A ARG 711.A N PRO 707.A O no hydrogen 2.933 N/A LEU 712.A N PHE 708.A O no hydrogen 2.932 N/A LEU 713.A N ALA 709.A O no hydrogen 2.896 N/A MET 714.A N GLU 710.A O no hydrogen 2.904 N/A GLN 715.A N ARG 711.A O no hydrogen 2.911 N/A PHE 716.A N LEU 712.A O no hydrogen 2.897 N/A ASN 717.A N LEU 713.A O no hydrogen 2.921 N/A HIS 718.A N MET 714.A O no hydrogen 2.815 N/A ARG 719.A NH2 GLY 687.A O no hydrogen 3.111 N/A GLN 722.A N GLN 722.A OE1 no hydrogen 2.801 N/A GLU 724.A N LEU 720.A O no hydrogen 3.247 N/A ALA 725.A N THR 721.A O no hydrogen 2.915 N/A ALA 726.A N GLN 722.A O no hydrogen 2.891 N/A GLU 727.A N GLN 723.A O no hydrogen 2.910 N/A GLU 727.A N GLU 724.A O no hydrogen 3.243 N/A LYS 728.A N ALA 725.A O no hydrogen 3.111 N/A ALA 729.A N ALA 726.A O no hydrogen 2.823 N/A GLN 731.A N GLU 727.A O no hydrogen 2.907 N/A MET 732.A N ALA 729.A O no hydrogen 3.125 N/A ALA 734.A N GLN 731.A O no hydrogen 3.247 N/A ALA 735.A N MET 732.A O no hydrogen 2.979 N/A THR 736.A OG1 GLN 731.A O no hydrogen 2.411 N/A GLY 738.A N ALA 735.A O no hydrogen 3.345 N/A LYS 763.A NZ GLU 775.A OE1 no hydrogen 3.516 N/A GLU 775.A N PHE 771.A O no hydrogen 2.893 N/A SER 776.A N ASN 772.A O no hydrogen 2.868 N/A SER 776.A OG ASN 772.A O no hydrogen 3.260 N/A SER 776.A OG LYS 773.A O no hydrogen 2.799 N/A ILE 777.A N LYS 773.A O no hydrogen 2.916 N/A ALA 778.A N LEU 774.A O no hydrogen 2.891 N/A THR 779.A N GLU 775.A O no hydrogen 3.254 N/A THR 779.A OG1 GLU 775.A O no hydrogen 3.195 N/A SER 780.A OG ILE 777.A O no hydrogen 2.597 N/A ARG 784.A NE ILE 777.A O no hydrogen 3.465 N/A ARG 784.A NE SER 780.A OG no hydrogen 3.086 N/A ARG 784.A NH2 ALA 778.A O no hydrogen 2.328 N/A THR 785.A OG1 CYS 790.A O no hydrogen 2.853 N/A CYS 790.A SG THR 320.A OG1 no hydrogen 3.082 N/A CYS 790.A SG LEU 788.A O no hydrogen 3.152 N/A CYS 791.A N ARG 314.A O no hydrogen 3.052 N/A CYS 791.A SG ARG 314.A O no hydrogen 3.416 N/A CYS 791.A SG ILE 782.A O no hydrogen 3.231 N/A SER 793.A OG GLY 224.A O no hydrogen 3.518 N/A ARG 794.A N ILE 222.A O no hydrogen 3.038 N/A LEU 796.A N SER 793.A O no hydrogen 3.065 N/A ARG 809.A N PHE 805.A O no hydrogen 3.061 N/A ARG 809.A NH2 ALA 778.A O no hydrogen 3.540 N/A VAL 810.A N MET 806.A O no hydrogen 2.907 N/A ASN 811.A N THR 807.A O no hydrogen 2.965 N/A TRP 812.A N SER 808.A O no hydrogen 2.840 N/A VAL 813.A N ARG 809.A O no hydrogen 2.980 N/A GLN 815.A N ASN 811.A O no hydrogen 2.987 N/A GLN 815.A NE2 ASN 811.A O no hydrogen 3.669 N/A SER 816.A N TRP 812.A O no hydrogen 2.798 N/A SER 817.A N VAL 813.A O no hydrogen 2.954 N/A SER 817.A OG VAL 813.A O no hydrogen 2.793 N/A ALA 818.A N VAL 814.A O no hydrogen 2.905 N/A VAL 819.A N GLN 815.A O no hydrogen 2.942 N/A ASP 820.A N SER 816.A O no hydrogen 2.876 N/A TYR 821.A N SER 817.A O no hydrogen 2.878 N/A LEU 822.A N ALA 818.A O no hydrogen 2.928 N/A HIS 823.A N VAL 819.A O no hydrogen 2.921 N/A LEU 824.A N ASP 820.A O no hydrogen 2.898 N/A MET 825.A N TYR 821.A O no hydrogen 2.925 N/A LEU 826.A N LEU 822.A O no hydrogen 2.920 N/A VAL 827.A N HIS 823.A O no hydrogen 2.948 N/A ALA 828.A N LEU 824.A O no hydrogen 2.956 N/A MET 829.A N MET 825.A O no hydrogen 2.877 N/A LYS 830.A N LEU 826.A O no hydrogen 2.927 N/A TRP 831.A N VAL 827.A O no hydrogen 2.957 N/A LEU 832.A N ALA 828.A O no hydrogen 2.900 N/A PHE 833.A N MET 829.A O no hydrogen 2.918 N/A GLU 834.A N LYS 830.A O no hydrogen 2.941 N/A GLU 835.A N TRP 831.A O no hydrogen 2.895 N/A PHE 836.A N LEU 832.A O no hydrogen 3.290 N/A ILE 838.A N PHE 833.A O no hydrogen 3.087 N/A ILE 844.A N ARG 851.A O no hydrogen 2.855 N/A ILE 846.A N GLU 849.A O no hydrogen 2.900 N/A VAL 850.A N ALA 636.A O no hydrogen 2.921 N/A ARG 851.A N ILE 844.A O no hydrogen 2.889 N/A ARG 851.A NH1 ASP 897.A OD2 no hydrogen 3.264 N/A TYR 852.A N VAL 634.A O no hydrogen 2.850 N/A LEU 853.A N PHE 842.A O no hydrogen 3.314 N/A VAL 854.A N THR 632.A O no hydrogen 2.885 N/A GLU 856.A N GLY 630.A O no hydrogen 3.064 N/A ASP 858.A N ARG 855.A O no hydrogen 3.022 N/A ARG 859.A N GLU 856.A O no hydrogen 2.948 N/A ARG 859.A NH1 GLU 856.A O no hydrogen 2.628 N/A ARG 861.A NH1 PHE 836.A O no hydrogen 3.275 N/A ARG 861.A NH1 ILE 936.A O no hydrogen 2.962 N/A ARG 861.A NH2 ASP 858.A OD1 no hydrogen 2.596 N/A ALA 862.A N ASP 858.A O no hydrogen 2.893 N/A ALA 863.A N ARG 859.A O no hydrogen 2.909 N/A LEU 864.A N TYR 860.A O no hydrogen 2.862 N/A ALA 865.A N ARG 861.A O no hydrogen 2.808 N/A LEU 866.A N ALA 862.A O no hydrogen 2.716 N/A GLN 867.A N ALA 863.A O no hydrogen 2.853 N/A GLN 867.A NE2 PHE 893.A O no hydrogen 3.193 N/A ILE 868.A N LEU 864.A O no hydrogen 2.802 N/A THR 869.A N ALA 865.A O no hydrogen 2.733 N/A THR 869.A OG1 ALA 865.A O no hydrogen 3.217 N/A ASN 870.A N LEU 866.A O no hydrogen 2.877 N/A LEU 871.A N GLN 867.A O no hydrogen 2.952 N/A LEU 872.A N ILE 868.A O no hydrogen 2.939 N/A THR 873.A N THR 869.A O no hydrogen 2.850 N/A THR 873.A OG1 THR 869.A O no hydrogen 3.154 N/A ARG 874.A N ASN 870.A O no hydrogen 3.447 N/A ARG 874.A NE TYR 821.A OH no hydrogen 3.221 N/A ARG 874.A NH2 ASP 639.A O no hydrogen 3.208 N/A CYS 875.A N LEU 871.A O no hydrogen 2.724 N/A CYS 875.A SG LEU 871.A O no hydrogen 3.515 N/A MET 876.A N LEU 872.A O no hydrogen 2.506 N/A PHE 877.A N THR 873.A O no hydrogen 2.902 N/A ALA 878.A N ARG 874.A O no hydrogen 2.961 N/A TYR 879.A N CYS 875.A O no hydrogen 2.711 N/A LYS 880.A N MET 876.A O no hydrogen 2.977 N/A LYS 880.A N PHE 877.A O no hydrogen 2.980 N/A LYS 880.A NZ ASP 63.A OD1 no hydrogen 3.133 N/A ASN 884.A N ALA 878.A O no hydrogen 3.216 N/A LEU 886.A N ASP 885.A OD1 no hydrogen 2.952 N/A GLN 888.A N GLY 9.A O no hydrogen 3.240 N/A GLN 888.A NE2 PRO 48.A O no hydrogen 3.311 N/A ALA 891.A N GLN 888.A O no hydrogen 3.258 N/A PHE 893.A N GLN 867.A OE1 no hydrogen 2.741 N/A SER 894.A OG ASP 639.A OD2 no hydrogen 2.108 N/A ASP 897.A N GLY 635.A O no hydrogen 2.861 N/A ASP 899.A N LEU 633.A O no hydrogen 2.918 N/A ARG 900.A N ASP 899.A OD1 no hydrogen 2.691 N/A ARG 903.A NE ASP 899.A OD2 no hydrogen 2.624 N/A ARG 903.A NH2 ASP 899.A OD1 no hydrogen 3.229 N/A MET 919.A N ASN 915.A O no hydrogen 3.397 N/A ARG 921.A NH2 GLU 620.A OE2 no hydrogen 3.258 N/A ILE 925.A N ILE 898.A O no hydrogen 2.985 N/A GLN 927.A N VAL 896.A O no hydrogen 3.178 N/A GLN 927.A NE2 ILE 925.A O no hydrogen 3.438 N/A ILE 933.A N ALA 930.A O no hydrogen 2.959 N/A TYR 934.A N LEU 931.A O no hydrogen 3.356 N/A THR 940.A OG1 GLU 938.A O no hydrogen 3.290 N/A