Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ke6_B2.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH TYR 606.A OH no hydrogen 2.410 N/A ARG 3.A N THR 652.A OG1 no hydrogen 2.819 N/A PHE 4.A N GLN 616.A OE1 no hydrogen 3.387 N/A GLU 5.A N GLU 650.A O no hydrogen 2.775 N/A ALA 7.A N ILE 648.A O no hydrogen 2.605 N/A PHE 10.A N ILE 646.A O no hydrogen 2.895 N/A SER 15.A N SER 31.A O no hydrogen 2.741 N/A SER 15.A OG SER 31.A O no hydrogen 2.304 N/A SER 15.A OG SER 31.A OG no hydrogen 2.904 N/A ALA 17.A N SER 15.A O no hydrogen 2.796 N/A ASN 18.A ND2 LEU 72.A O no hydrogen 2.882 N/A CYS 19.A SG SER 320.A OG no hydrogen 3.104 N/A VAL 20.A N ILE 29.A O no hydrogen 3.184 N/A ILE 22.A N GLN 27.A O no hydrogen 3.218 N/A LEU 28.A N TRP 39.A O no hydrogen 2.886 N/A ILE 29.A N VAL 20.A O no hydrogen 2.859 N/A THR 30.A N ASN 37.A O no hydrogen 2.962 N/A SER 31.A N THR 30.A OG1 no hydrogen 2.581 N/A SER 31.A OG SER 15.A OG no hydrogen 2.904 N/A VAL 36.A N LEU 50.A O no hydrogen 2.976 N/A ASN 37.A N THR 30.A O no hydrogen 2.894 N/A ASN 37.A ND2 ILE 13.A O no hydrogen 3.057 N/A ILE 38.A N SER 48.A O no hydrogen 2.831 N/A TRP 39.A N LEU 28.A O no hydrogen 2.899 N/A ILE 41.A N GLY 26.A O no hydrogen 2.866 N/A THR 43.A OG1 ASP 40.A OD1 no hydrogen 3.125 N/A THR 43.A OG1 ASP 40.A OD2 no hydrogen 2.374 N/A THR 43.A OG1 ASP 45.A OD1 no hydrogen 2.831 N/A GLY 44.A N ASP 40.A OD1 no hydrogen 3.416 N/A SER 48.A N ILE 38.A O no hydrogen 3.018 N/A SER 51.A OG ASP 35.A OD2 no hydrogen 3.199 N/A SER 51.A OG ASP 52.A O no hydrogen 3.343 N/A GLY 53.A N ASP 52.A OD1 no hydrogen 2.835 N/A ALA 64.A N ARG 62.A O no hydrogen 2.715 N/A THR 70.A N GLY 84.A O no hydrogen 2.896 N/A TYR 71.A N GLY 84.A O no hydrogen 2.973 N/A LEU 72.A N ASN 18.A OD1 no hydrogen 2.817 N/A GLU 73.A N ALA 82.A O no hydrogen 2.962 N/A HIS 75.A N LEU 80.A O no hydrogen 2.867 N/A ASP 79.A N LYS 76.A O no hydrogen 2.807 N/A LEU 80.A N HIS 75.A O no hydrogen 2.928 N/A LEU 81.A N TRP 93.A O no hydrogen 2.922 N/A ALA 82.A N GLU 73.A O no hydrogen 2.888 N/A VAL 83.A N LYS 91.A O no hydrogen 2.946 N/A GLY 84.A N TYR 71.A O no hydrogen 2.879 N/A TYR 85.A N VAL 89.A O no hydrogen 2.907 N/A LYS 91.A N VAL 83.A O no hydrogen 2.892 N/A VAL 92.A N LEU 102.A O no hydrogen 2.927 N/A TRP 93.A N LEU 81.A O no hydrogen 2.851 N/A LEU 95.A N ASP 79.A OD1 no hydrogen 3.311 N/A SER 97.A N ASP 94.A OD2 no hydrogen 3.326 N/A SER 97.A OG ASP 94.A OD2 no hydrogen 2.268 N/A THR 99.A N ASP 94.A OD1 no hydrogen 3.020 N/A LEU 101.A N VAL 92.A O no hydrogen 2.690 N/A LEU 102.A N VAL 92.A O no hydrogen 2.962 N/A PHE 104.A N ILE 90.A O no hydrogen 2.886 N/A GLY 106.A N ASN 105.A OD1 no hydrogen 2.542 N/A HIS 107.A N ASN 105.A O no hydrogen 2.579 N/A LYS 108.A N ASP 129.A OD2 no hydrogen 3.385 N/A THR 112.A N GLY 126.A O no hydrogen 2.573 N/A THR 112.A OG1 ILE 153.A O no hydrogen 3.401 N/A LEU 113.A N GLY 126.A O no hydrogen 2.918 N/A GLN 115.A NE2 CYS 158.A O no hydrogen 3.691 N/A ASP 117.A N ARG 122.A O no hydrogen 2.980 N/A GLY 118.A N ASP 117.A OD1 no hydrogen 2.705 N/A LEU 123.A N TRP 135.A O no hydrogen 2.931 N/A ILE 124.A N GLN 115.A O no hydrogen 2.817 N/A SER 125.A N ILE 133.A O no hydrogen 2.883 N/A GLY 126.A N LEU 113.A O no hydrogen 2.955 N/A SER 127.A OG HIS 107.A ND1 no hydrogen 2.621 N/A SER 127.A OG ASP 129.A O no hydrogen 3.298 N/A SER 127.A OG ASP 129.A OD1 no hydrogen 2.361 N/A LYS 128.A N ALA 110.A O no hydrogen 2.571 N/A SER 130.A OG HIS 149.A O no hydrogen 3.320 N/A ILE 132.A N LEU 146.A O no hydrogen 2.990 N/A ILE 133.A N SER 125.A O no hydrogen 2.925 N/A VAL 134.A N TYR 144.A O no hydrogen 2.908 N/A TRP 135.A N LEU 123.A O no hydrogen 2.785 N/A TRP 135.A NE1 SER 125.A OG no hydrogen 2.926 N/A ASP 136.A N VAL 141.A O no hydrogen 3.044 N/A LEU 137.A N THR 121.A O no hydrogen 2.889 N/A VAL 141.A N ASP 136.A OD1 no hydrogen 2.908 N/A LEU 143.A N VAL 134.A O no hydrogen 2.847 N/A LEU 146.A N ILE 132.A O no hydrogen 2.804 N/A ARG 147.A NH1 ASN 131.A OD1 no hydrogen 2.355 N/A SER 148.A OG SER 148.A O no hydrogen 2.440 N/A HIS 149.A NE2 SER 166.A OG no hydrogen 3.078 N/A SER 152.A N SER 168.A OG no hydrogen 2.997 N/A ILE 153.A N SER 127.A O no hydrogen 2.930 N/A THR 154.A N THR 167.A O no hydrogen 2.932 N/A THR 154.A OG1 THR 167.A O no hydrogen 2.705 N/A THR 154.A OG1 CYS 194.A O no hydrogen 2.694 N/A GLY 155.A N THR 167.A O no hydrogen 2.990 N/A TRP 157.A N ILE 165.A O no hydrogen 2.924 N/A CYS 158.A SG ASP 117.A OD2 no hydrogen 3.245 N/A CYS 158.A SG GLY 160.A O no hydrogen 3.970 N/A CYS 158.A SG TRP 163.A O no hydrogen 3.355 N/A GLN 159.A N TRP 163.A O no hydrogen 2.991 N/A GLY 160.A N ASP 117.A OD2 no hydrogen 2.766 N/A LEU 164.A N TRP 176.A O no hydrogen 2.977 N/A ILE 165.A N TRP 157.A O no hydrogen 2.886 N/A SER 166.A N LYS 174.A O no hydrogen 2.909 N/A SER 166.A OG HIS 149.A NE2 no hydrogen 3.078 N/A THR 167.A N GLY 155.A O no hydrogen 2.841 N/A THR 167.A OG1 MET 172.A O no hydrogen 2.958 N/A SER 168.A N MET 172.A O no hydrogen 3.085 N/A SER 168.A OG SER 152.A O no hydrogen 2.548 N/A SER 168.A OG ASP 170.A OD1 no hydrogen 3.089 N/A LYS 169.A N SER 152.A O no hydrogen 2.746 N/A LYS 169.A NZ ASP 151.A OD2 no hydrogen 3.294 N/A ILE 173.A N HIS 187.A O no hydrogen 2.864 N/A LYS 174.A N SER 166.A O no hydrogen 2.822 N/A LYS 174.A NZ SER 148.A O no hydrogen 2.415 N/A LYS 174.A NZ SER 148.A OG no hydrogen 2.452 N/A LEU 175.A N GLU 185.A O no hydrogen 3.091 N/A TRP 176.A N LEU 164.A O no hydrogen 2.844 N/A TRP 176.A NE1 SER 166.A OG no hydrogen 3.225 N/A LEU 178.A N ASP 162.A O no hydrogen 2.871 N/A LYS 179.A NZ GLU 161.A O no hydrogen 2.609 N/A THR 180.A N ASP 177.A O no hydrogen 3.365 N/A THR 180.A OG1 ASP 177.A OD1 no hydrogen 2.873 N/A THR 180.A OG1 ASP 177.A OD2 no hydrogen 2.861 N/A HIS 181.A N ASP 177.A O no hydrogen 2.931 N/A CYS 183.A SG LEU 175.A O no hydrogen 4.046 N/A CYS 183.A SG GLU 185.A O no hydrogen 3.811 N/A ILE 184.A N LEU 175.A O no hydrogen 2.743 N/A HIS 187.A N ILE 173.A O no hydrogen 3.023 N/A HIS 187.A NE2 GLU 185.A OE2 no hydrogen 2.401 N/A ALA 189.A N GLY 171.A O no hydrogen 2.663 N/A HIS 190.A NE2 THR 206.A OG1 no hydrogen 2.672 N/A CYS 194.A SG THR 167.A OG1 no hydrogen 2.633 N/A CYS 194.A SG GLY 196.A O no hydrogen 3.948 N/A TRP 195.A N THR 207.A O no hydrogen 2.633 N/A GLY 196.A N THR 207.A O no hydrogen 2.968 N/A ALA 198.A N ILE 205.A O no hydrogen 2.988 N/A LEU 203.A N LYS 200.A O no hydrogen 2.690 N/A LEU 203.A N ASP 202.A OD1 no hydrogen 2.795 N/A LEU 204.A N TRP 216.A O no hydrogen 2.897 N/A ILE 205.A N ALA 198.A O no hydrogen 2.854 N/A THR 206.A N LYS 214.A O no hydrogen 2.952 N/A THR 206.A OG1 HIS 190.A NE2 no hydrogen 2.672 N/A THR 207.A N GLY 196.A O no hydrogen 3.416 N/A THR 209.A OG1 ASP 210.A OD1 no hydrogen 2.639 N/A VAL 213.A N PHE 235.A O no hydrogen 3.004 N/A LYS 214.A N THR 206.A O no hydrogen 2.873 N/A LYS 214.A NZ ALA 189.A O no hydrogen 2.528 N/A ILE 215.A N GLY 233.A O no hydrogen 2.702 N/A TRP 216.A N LEU 204.A O no hydrogen 2.812 N/A LYS 217.A N THR 230.A O no hydrogen 2.879 N/A ASP 219.A N LYS 228.A O no hydrogen 2.883 N/A ASN 222.A N ASP 219.A O no hydrogen 3.087 N/A ASN 222.A ND2 GLY 227.A O no hydrogen 2.477 N/A ASP 223.A N ASN 222.A OD1 no hydrogen 2.791 N/A LYS 224.A N ASN 222.A OD1 no hydrogen 3.474 N/A THR 230.A N LYS 217.A O no hydrogen 2.912 N/A MET 232.A N ILE 215.A O no hydrogen 2.895 N/A GLY 233.A N ILE 215.A O no hydrogen 3.331 N/A PHE 235.A N VAL 213.A O no hydrogen 2.953 N/A LYS 237.A N SER 211.A OG no hydrogen 2.772 N/A GLN 238.A N GLU 269.A OE2 no hydrogen 2.733 N/A SER 239.A N GLU 269.A OE2 no hydrogen 3.138 N/A SER 239.A OG GLN 241.A O no hydrogen 3.461 N/A LEU 244.A N GLN 262.A O no hydrogen 2.858 N/A GLU 247.A N TYR 260.A O no hydrogen 2.978 N/A ILE 249.A N PHE 258.A O no hydrogen 2.899 N/A THR 250.A OG1 THR 250.A O no hydrogen 2.431 N/A SER 253.A N SER 252.A OG no hydrogen 2.448 N/A THR 256.A N ASN 251.A O no hydrogen 2.960 N/A PHE 258.A N ILE 249.A O no hydrogen 2.931 N/A PHE 259.A N PHE 271.A O no hydrogen 2.962 N/A TYR 260.A N GLU 247.A O no hydrogen 2.988 N/A TYR 260.A OH GLU 247.A OE1 no hydrogen 3.397 N/A ILE 261.A N GLU 269.A O no hydrogen 2.909 N/A GLN 262.A N LYS 245.A O no hydrogen 2.905 N/A ASN 263.A N THR 267.A O no hydrogen 2.949 N/A LYS 266.A N ALA 264.A O no hydrogen 2.670 N/A THR 267.A OG1 ASP 265.A O no hydrogen 2.633 N/A ILE 268.A N ILE 312.A O no hydrogen 3.038 N/A GLU 269.A N ILE 261.A O no hydrogen 2.892 N/A PHE 271.A N PHE 259.A O no hydrogen 2.836 N/A ARG 272.A N HIS 307.A O no hydrogen 2.787 N/A ILE 273.A N SER 257.A O no hydrogen 2.998 N/A ARG 274.A NH1 PHE 304.A O no hydrogen 2.970 N/A LYS 275.A N GLU 278.A OE2 no hydrogen 2.650 N/A GLU 276.A N GLU 276.A OE1 no hydrogen 2.817 N/A ILE 279.A N LYS 275.A O no hydrogen 3.009 N/A ALA 280.A N GLU 276.A O no hydrogen 2.899 N/A ARG 281.A N GLU 277.A O no hydrogen 2.939 N/A GLY 282.A N GLU 278.A O no hydrogen 2.899 N/A GLY 282.A N ILE 279.A O no hydrogen 2.984 N/A LYS 285.A N GLY 282.A O no hydrogen 3.254 N/A LYS 285.A NZ ARG 281.A O no hydrogen 2.959 N/A ARG 286.A N LEU 283.A O no hydrogen 3.239 N/A ARG 286.A NH2 ILE 300.A O no hydrogen 2.821 N/A GLU 287.A N LEU 283.A O no hydrogen 3.007 N/A GLU 295.A N LEU 291.A O no hydrogen 2.893 N/A ILE 296.A N THR 292.A O no hydrogen 2.855 N/A ALA 297.A N GLU 293.A O no hydrogen 2.940 N/A LYS 298.A N GLU 294.A O no hydrogen 2.838 N/A SER 299.A N GLU 295.A O no hydrogen 2.913 N/A ILE 300.A N ALA 297.A O no hydrogen 3.179 N/A SER 302.A OG ILE 234.A O no hydrogen 2.813 N/A ILE 305.A N TYR 301.A O no hydrogen 2.899 N/A LEU 306.A N SER 302.A O no hydrogen 2.935 N/A HIS 307.A N ARG 272.A O no hydrogen 2.956 N/A SER 314.A OG GLU 343.A OE1 no hydrogen 3.394 N/A LYS 317.A NZ ILE 318.A O no hydrogen 3.566 N/A LYS 319.A N THR 336.A O no hydrogen 3.040 N/A SER 320.A N THR 336.A O no hydrogen 2.987 N/A SER 320.A OG THR 336.A OG1 no hydrogen 2.939 N/A SER 322.A N VAL 334.A O no hydrogen 2.937 N/A THR 324.A N GLU 332.A O no hydrogen 2.858 N/A THR 325.A OG1 THR 324.A O no hydrogen 2.614 N/A SER 327.A OG VAL 326.A O no hydrogen 2.827 N/A SER 327.A OG SER 329.A OG no hydrogen 2.358 N/A SER 329.A N VAL 326.A O no hydrogen 3.360 N/A SER 329.A OG SER 327.A OG no hydrogen 2.358 N/A LEU 331.A N ILE 347.A O no hydrogen 2.978 N/A GLU 332.A N THR 324.A O no hydrogen 2.887 N/A LEU 333.A N TYR 345.A O no hydrogen 2.893 N/A VAL 334.A N SER 322.A O no hydrogen 2.814 N/A LEU 335.A N GLU 343.A O no hydrogen 2.844 N/A THR 336.A N SER 320.A O no hydrogen 2.868 N/A THR 336.A OG1 SER 320.A OG no hydrogen 2.939 N/A THR 337.A N THR 341.A O no hydrogen 2.959 N/A THR 337.A OG1 LYS 317.A O no hydrogen 2.313 N/A SER 338.A N LYS 317.A O no hydrogen 2.463 N/A THR 341.A OG1 SER 339.A O no hydrogen 3.397 N/A ILE 342.A N ILE 365.A O no hydrogen 2.965 N/A GLU 343.A N LEU 335.A O no hydrogen 2.812 N/A TYR 344.A N HIS 363.A O no hydrogen 2.869 N/A TYR 345.A N LEU 333.A O no hydrogen 2.921 N/A SER 346.A N LEU 360.A O no hydrogen 3.196 N/A SER 346.A OG TYR 345.A O no hydrogen 2.898 N/A ILE 347.A N LEU 331.A O no hydrogen 2.898 N/A GLU 350.A N ASP 353.A O no hydrogen 3.052 N/A LYS 351.A NZ ASP 254.A OD1 no hydrogen 2.928 N/A LYS 351.A NZ ASP 254.A OD2 no hydrogen 2.732 N/A LYS 351.A NZ SER 328.A OG no hydrogen 3.009 N/A ARG 352.A NH2 HIS 307.A NE2 no hydrogen 3.356 N/A THR 355.A OG1 PRO 354.A O no hydrogen 2.731 N/A THR 362.A N TYR 344.A O no hydrogen 2.807 N/A HIS 363.A N TYR 344.A O no hydrogen 3.005 N/A ILE 365.A N ILE 342.A O no hydrogen 2.799 N/A GLN 370.A NE2 SER 393.A O no hydrogen 3.239 N/A ARG 371.A NE ASN 340.A O no hydrogen 2.601 N/A ARG 371.A NH1 GLU 366.A O no hydrogen 2.606 N/A ARG 371.A NH2 ASN 340.A O no hydrogen 2.949 N/A ARG 371.A NH2 GLU 366.A O no hydrogen 2.826 N/A THR 372.A OG1 GLN 370.A O no hydrogen 2.810 N/A THR 372.A OG1 ASN 391.A OD1 no hydrogen 2.325 N/A ASP 373.A N ASP 373.A OD1 no hydrogen 2.352 N/A ARG 375.A N THR 388.A O no hydrogen 2.862 N/A SER 376.A OG CYS 416.A O no hydrogen 3.518 N/A ASP 378.A N LEU 386.A O no hydrogen 2.859 N/A SER 380.A N LYS 384.A O no hydrogen 2.880 N/A ASN 383.A N SER 380.A OG no hydrogen 3.121 N/A LYS 384.A N SER 380.A OG no hydrogen 2.733 N/A LYS 384.A NZ TRP 397.A O no hydrogen 2.957 N/A LEU 385.A N TRP 397.A O no hydrogen 2.895 N/A LEU 386.A N ASP 378.A O no hydrogen 2.939 N/A ALA 387.A N LYS 395.A O no hydrogen 2.916 N/A THR 388.A N SER 376.A O no hydrogen 2.957 N/A SER 393.A OG GLN 370.A OE1 no hydrogen 2.600 N/A LEU 394.A N GLY 392.A O no hydrogen 2.703 N/A LYS 395.A N ALA 387.A O no hydrogen 2.931 N/A LYS 395.A NZ LEU 367.A O no hydrogen 2.397 N/A ILE 396.A N ARG 406.A O no hydrogen 2.770 N/A TRP 397.A N LEU 385.A O no hydrogen 2.871 N/A ILE 399.A N ASN 383.A O no hydrogen 2.896 N/A HIS 402.A N ASN 398.A O no hydrogen 3.021 N/A LYS 403.A N ASN 398.A OD1 no hydrogen 2.931 N/A LYS 403.A NZ THR 401.A O no hydrogen 3.448 N/A CYS 404.A SG ILE 396.A O no hydrogen 3.277 N/A CYS 404.A SG ARG 406.A O no hydrogen 3.924 N/A ILE 405.A N ILE 396.A O no hydrogen 3.122 N/A ARG 406.A NE LEU 439.A O no hydrogen 2.780 N/A PHE 408.A N LEU 394.A O no hydrogen 2.786 N/A CYS 410.A N GLY 392.A O no hydrogen 2.790 N/A CYS 410.A SG GLY 392.A O no hydrogen 3.162 N/A CYS 410.A SG GLY 411.A O no hydrogen 3.583 N/A LEU 414.A N GLY 428.A O no hydrogen 3.294 N/A THR 415.A OG1 TRP 457.A O no hydrogen 2.499 N/A CYS 416.A N SER 376.A OG no hydrogen 3.373 N/A CYS 416.A SG ASP 378.A OD2 no hydrogen 3.221 N/A CYS 416.A SG THR 388.A OG1 no hydrogen 2.705 N/A LYS 417.A N ILE 426.A O no hydrogen 2.871 N/A LEU 419.A N LEU 424.A O no hydrogen 2.870 N/A GLY 422.A N LEU 419.A O no hydrogen 3.013 N/A VAL 425.A N PHE 437.A O no hydrogen 2.902 N/A ILE 426.A N LYS 417.A O no hydrogen 2.870 N/A LEU 427.A N GLN 435.A O no hydrogen 2.856 N/A GLY 428.A N THR 415.A O no hydrogen 2.867 N/A THR 429.A N GLU 433.A O no hydrogen 2.974 N/A THR 429.A OG1 ASN 431.A O no hydrogen 2.750 N/A THR 429.A OG1 GLU 433.A O no hydrogen 2.409 N/A ARG 430.A N TYR 412.A O no hydrogen 2.464 N/A ARG 430.A NH2 ARG 430.A O no hydrogen 2.552 N/A GLU 433.A N ASN 431.A O no hydrogen 2.669 N/A LEU 434.A N ILE 448.A O no hydrogen 2.905 N/A GLN 435.A N LEU 427.A O no hydrogen 2.905 N/A LEU 436.A N ASP 446.A O no hydrogen 2.901 N/A PHE 437.A N VAL 425.A O no hydrogen 2.858 N/A LEU 439.A N LEU 423.A O no hydrogen 3.244 N/A SER 441.A N ASP 438.A OD2 no hydrogen 2.526 N/A SER 441.A OG ASP 438.A OD1 no hydrogen 2.915 N/A SER 441.A OG ASP 438.A OD2 no hydrogen 3.026 N/A SER 441.A OG SER 442.A O no hydrogen 3.488 N/A LEU 445.A N LEU 436.A O no hydrogen 3.013 N/A THR 447.A N ASP 446.A OD1 no hydrogen 2.588 N/A ILE 448.A N LEU 434.A O no hydrogen 2.889 N/A ASP 450.A N GLY 432.A O no hydrogen 2.612 N/A ALA 451.A N GLY 432.A O no hydrogen 3.373 N/A HIS 452.A ND1 ASP 474.A OD2 no hydrogen 3.135 N/A HIS 452.A NE2 THR 470.A OG1 no hydrogen 2.747 N/A ASP 453.A N ASP 474.A OD2 no hydrogen 2.822 N/A TRP 457.A N GLY 471.A O no hydrogen 2.980 N/A SER 458.A N GLY 471.A O no hydrogen 3.008 N/A SER 458.A OG VAL 502.A O no hydrogen 3.460 N/A ASP 460.A N VAL 469.A O no hydrogen 2.977 N/A THR 462.A OG1 ASP 464.A OD1 no hydrogen 2.289 N/A SER 463.A N ASP 508.A OD1 no hydrogen 3.246 N/A GLY 465.A N THR 462.A OG1 no hydrogen 2.584 N/A LEU 468.A N TRP 480.A O no hydrogen 2.833 N/A VAL 469.A N ASP 460.A O no hydrogen 2.874 N/A THR 470.A N LYS 478.A O no hydrogen 2.918 N/A THR 470.A OG1 HIS 452.A NE2 no hydrogen 2.747 N/A THR 470.A OG1 LYS 478.A O no hydrogen 3.536 N/A GLY 471.A N SER 458.A O no hydrogen 2.880 N/A SER 472.A N THR 476.A O no hydrogen 3.030 N/A SER 472.A OG ALA 454.A O no hydrogen 3.416 N/A SER 472.A OG ALA 455.A O no hydrogen 2.536 N/A SER 472.A OG ASP 474.A OD1 no hydrogen 2.961 N/A ALA 473.A N ALA 455.A O no hydrogen 2.452 N/A ASP 474.A N SER 472.A OG no hydrogen 3.393 N/A THR 476.A OG1 ASP 474.A O no hydrogen 2.517 N/A VAL 477.A N LEU 493.A O no hydrogen 2.995 N/A LYS 478.A N THR 470.A O no hydrogen 2.874 N/A LYS 478.A NZ ALA 451.A O no hydrogen 2.668 N/A PHE 479.A N THR 491.A O no hydrogen 2.974 N/A TRP 480.A N LEU 468.A O no hydrogen 2.888 N/A TRP 480.A NE1 THR 470.A OG1 no hydrogen 2.784 N/A ASP 481.A N HIS 488.A O no hydrogen 2.892 N/A PHE 482.A N LYS 466.A O no hydrogen 2.911 N/A LYS 483.A N LYS 486.A O no hydrogen 2.964 N/A LYS 486.A N LYS 483.A O no hydrogen 2.861 N/A LEU 493.A N VAL 477.A O no hydrogen 2.838 N/A LEU 495.A N LYS 475.A O no hydrogen 2.910 N/A LEU 500.A N SER 514.A O no hydrogen 2.918 N/A CYS 501.A N SER 514.A O no hydrogen 3.052 N/A CYS 501.A SG VAL 502.A O no hydrogen 3.723 N/A ARG 503.A N ALA 512.A O no hydrogen 2.915 N/A SER 505.A N TYR 510.A O no hydrogen 2.897 N/A SER 505.A OG ASP 507.A OD1 no hydrogen 2.232 N/A SER 505.A OG SER 550.A OG no hydrogen 2.910 N/A ASP 507.A N SER 505.A OG no hydrogen 3.359 N/A ASP 508.A N SER 505.A O no hydrogen 2.987 N/A LEU 511.A N PHE 523.A O no hydrogen 2.884 N/A ALA 512.A N ARG 503.A O no hydrogen 2.819 N/A ILE 513.A N LYS 521.A O no hydrogen 2.888 N/A SER 514.A N CYS 501.A O no hydrogen 2.791 N/A SER 514.A OG VAL 541.A O no hydrogen 2.370 N/A LEU 515.A N THR 519.A O no hydrogen 2.948 N/A VAL 520.A N LEU 534.A O no hydrogen 2.975 N/A LYS 521.A N ILE 513.A O no hydrogen 2.813 N/A LYS 521.A NZ THR 519.A OG1 no hydrogen 3.013 N/A VAL 522.A N LEU 532.A O no hydrogen 2.874 N/A PHE 523.A N LEU 511.A O no hydrogen 2.847 N/A LEU 525.A N ARG 509.A O no hydrogen 2.986 N/A MET 528.A N PHE 524.A O no hydrogen 3.086 N/A TYR 531.A OH LEU 567.A O no hydrogen 2.985 N/A LEU 532.A N VAL 522.A O no hydrogen 2.894 N/A SER 533.A OG SER 533.A O no hydrogen 2.550 N/A LEU 534.A N VAL 520.A O no hydrogen 2.834 N/A HIS 537.A NE2 ASN 561.A O no hydrogen 2.846 N/A LYS 538.A NZ GLY 536.A O no hydrogen 3.504 N/A LEU 542.A N SER 556.A O no hydrogen 2.689 N/A ASP 545.A N ILE 554.A O no hydrogen 3.121 N/A SER 547.A N MET 552.A O no hydrogen 2.716 N/A SER 547.A OG MET 552.A O no hydrogen 2.905 N/A SER 550.A N SER 547.A O no hydrogen 3.342 N/A SER 550.A OG SER 505.A OG no hydrogen 2.910 N/A SER 550.A OG ASP 507.A OD1 no hydrogen 3.471 N/A LYS 551.A N SER 547.A OG no hydrogen 3.235 N/A MET 552.A N SER 547.A OG no hydrogen 2.912 N/A ILE 553.A N TRP 565.A O no hydrogen 2.867 N/A ILE 554.A N ASP 545.A O no hydrogen 3.170 N/A THR 555.A N LYS 563.A O no hydrogen 2.956 N/A ASP 559.A N SER 557.A OG no hydrogen 2.847 N/A LYS 560.A NZ ASP 581.A O no hydrogen 3.477 N/A ILE 562.A N LEU 576.A O no hydrogen 2.931 N/A LYS 563.A N THR 555.A O no hydrogen 2.919 N/A LYS 563.A NZ SER 575.A OG no hydrogen 2.365 N/A ILE 564.A N LYS 574.A O no hydrogen 2.893 N/A TRP 565.A N ILE 553.A O no hydrogen 2.895 N/A GLY 566.A N ASP 571.A O no hydrogen 2.890 N/A LEU 567.A N LYS 551.A O no hydrogen 2.881 N/A ASP 571.A N GLY 566.A O no hydrogen 3.000 N/A CYS 572.A SG ILE 564.A O no hydrogen 3.400 N/A CYS 572.A SG LYS 574.A O no hydrogen 3.612 N/A HIS 573.A N ILE 564.A O no hydrogen 2.821 N/A HIS 573.A NE2 ASP 571.A OD2 no hydrogen 3.126 N/A ALA 578.A N LYS 560.A O no hydrogen 2.808 N/A SER 582.A OG ILE 583.A O no hydrogen 3.562 N/A MET 584.A N CYS 598.A O no hydrogen 2.908 N/A ASN 585.A N CYS 598.A O no hydrogen 3.031 N/A VAL 586.A N SER 543.A OG no hydrogen 3.199 N/A LYS 587.A N PHE 596.A O no hydrogen 2.958 N/A PHE 588.A N ASP 545.A OD2 no hydrogen 2.470 N/A LEU 589.A N ASN 594.A O no hydrogen 2.907 N/A PHE 595.A N TRP 607.A O no hydrogen 2.904 N/A PHE 596.A N LYS 587.A O no hydrogen 2.881 N/A SER 597.A N LYS 605.A O no hydrogen 2.919 N/A CYS 598.A N ASN 585.A O no hydrogen 2.907 N/A CYS 598.A SG ASN 585.A O no hydrogen 3.548 N/A SER 599.A N VAL 603.A O no hydrogen 3.104 N/A SER 599.A OG ASP 601.A OD1 no hydrogen 2.390 N/A SER 599.A OG VAL 603.A O no hydrogen 3.129 N/A LYS 600.A N SER 582.A O no hydrogen 2.449 N/A VAL 604.A N LEU 618.A O no hydrogen 3.133 N/A LYS 605.A N SER 597.A O no hydrogen 2.870 N/A TYR 606.A N GLN 616.A O no hydrogen 2.874 N/A TYR 606.A OH TYR 1.A OH no hydrogen 2.410 N/A TRP 607.A N PHE 595.A O no hydrogen 2.918 N/A GLU 610.A N ASP 608.A OD2 no hydrogen 2.908 N/A LYS 611.A N ASP 608.A OD2 no hydrogen 2.490 N/A LYS 611.A NZ GLU 613.A OE1 no hydrogen 3.412 N/A ILE 615.A N TYR 606.A O no hydrogen 2.427 N/A GLN 616.A N TYR 606.A O no hydrogen 2.967 N/A GLN 616.A NE2 PHE 4.A O no hydrogen 3.032 N/A LEU 618.A N VAL 604.A O no hydrogen 2.869 N/A GLN 622.A N ASP 643.A OD2 no hydrogen 3.137 N/A GLU 624.A N GLU 624.A OE1 no hydrogen 2.847 N/A VAL 625.A N SER 599.A O no hydrogen 3.229 N/A ALA 627.A N SER 640.A O no hydrogen 3.068 N/A ALA 629.A N VAL 638.A O no hydrogen 2.888 N/A THR 632.A OG1 ASP 381.A O no hydrogen 3.197 N/A THR 632.A OG1 ASP 633.A OD1 no hydrogen 2.858 N/A VAL 637.A N TRP 649.A O no hydrogen 2.947 N/A VAL 638.A N ALA 629.A O no hydrogen 2.912 N/A SER 639.A N ARG 647.A O no hydrogen 2.915 N/A SER 640.A N ALA 627.A O no hydrogen 2.923 N/A SER 640.A OG ALA 627.A O no hydrogen 3.382 N/A SER 641.A N SER 645.A O no hydrogen 3.094 N/A SER 641.A OG ASP 643.A OD1 no hydrogen 2.324 N/A SER 641.A OG ASP 643.A OD2 no hydrogen 3.259 N/A SER 641.A OG SER 645.A O no hydrogen 2.964 N/A HIS 642.A N GLU 624.A O no hydrogen 2.696 N/A SER 645.A N ASP 643.A OD1 no hydrogen 3.056 N/A ILE 646.A N PHE 10.A O no hydrogen 2.977 N/A ARG 647.A N SER 639.A O no hydrogen 2.966 N/A ARG 647.A NH1 GLN 6.A OE1 no hydrogen 2.407 N/A ARG 647.A NH2 SER 645.A OG no hydrogen 3.308 N/A ILE 648.A N ALA 8.A O no hydrogen 2.923 N/A TRP 649.A N VAL 637.A O no hydrogen 2.881 N/A GLU 650.A N GLU 5.A O no hydrogen 2.680 N/A GLU 651.A N GLU 651.A OE1 no hydrogen 2.741 N/A THR 652.A N ARG 3.A O no hydrogen 2.500 N/A THR 652.A OG1 ARG 3.A O no hydrogen 2.978 N/A SER 653.A OG LEU 654.A O no hydrogen 2.727 N/A LYS 655.A N GLU 658.A OE2 no hydrogen 3.233 N/A ARG 659.A N LYS 655.A O no hydrogen 2.943 N/A MET 661.A N GLY 657.A O no hydrogen 2.866 N/A GLU 662.A N GLU 658.A O no hydrogen 2.968 N/A ALA 663.A N ARG 659.A O no hydrogen 2.961 N/A LEU 664.A N LEU 660.A O no hydrogen 2.836 N/A ASP 665.A N MET 661.A O no hydrogen 2.984 N/A LEU 666.A N GLU 662.A O no hydrogen 3.049 N/A GLY 667.A N ALA 663.A O no hydrogen 2.939 N/A ILE 668.A N LEU 664.A O no hydrogen 2.905 N/A ALA 669.A N ASP 665.A O no hydrogen 2.967 N/A GLU 670.A N LEU 666.A O no hydrogen 3.065 N/A ILE 671.A N GLY 667.A O no hydrogen 2.925 N/A GLU 672.A N ILE 668.A O no hydrogen 2.906 N/A GLY 673.A N ALA 669.A O no hydrogen 3.029 N/A LEU 674.A N GLU 670.A O no hydrogen 3.025 N/A GLU 675.A N ILE 671.A O no hydrogen 2.930 N/A ALA 676.A N GLU 672.A O no hydrogen 2.939 N/A TYR 677.A N GLY 673.A O no hydrogen 2.958 N/A ASN 678.A N LEU 674.A O no hydrogen 2.935 N/A ARG 679.A N GLU 675.A O no hydrogen 2.936 N/A ASP 680.A N ALA 676.A O no hydrogen 2.961 N/A MET 681.A N TYR 677.A O no hydrogen 2.884 N/A LYS 682.A N ASN 678.A O no hydrogen 2.907 N/A LEU 683.A N ARG 679.A O no hydrogen 2.905 N/A TRP 684.A N ASP 680.A O no hydrogen 2.914 N/A GLN 685.A N MET 681.A O no hydrogen 2.943 N/A LYS 687.A N TRP 684.A O no hydrogen 3.299 N/A GLY 690.A N LYS 688.A O no hydrogen 2.712 N/A LYS 695.A NZ TYR 677.A OH no hydrogen 2.422 N/A ALA 700.A N ASN 699.A OD1 no hydrogen 2.678 N/A ILE 703.A N ASN 699.A O no hydrogen 2.957 N/A ALA 704.A N ALA 700.A O no hydrogen 2.935 N/A VAL 705.A N VAL 701.A O no hydrogen 2.944 N/A LYS 707.A N LEU 702.A O no hydrogen 3.157 N/A THR 708.A OG1 GLU 710.A OE1 no hydrogen 2.352 N/A TYR 712.A N THR 708.A O no hydrogen 2.920 N/A ILE 713.A N PRO 709.A O no hydrogen 2.953 N/A MET 714.A N GLU 710.A O no hydrogen 2.895 N/A ASP 715.A N GLN 711.A O no hydrogen 2.897 N/A THR 716.A N TYR 712.A O no hydrogen 3.084 N/A LEU 717.A N ILE 713.A O no hydrogen 2.974 N/A LEU 718.A N MET 714.A O no hydrogen 2.901 N/A ARG 719.A N ASP 715.A O no hydrogen 2.970 N/A ARG 719.A NH1 ASP 715.A OD2 no hydrogen 2.799 N/A ARG 719.A NH2 ASP 715.A OD2 no hydrogen 2.948 N/A ILE 720.A N THR 716.A O no hydrogen 3.170 N/A ALA 728.A N GLN 724.A O no hydrogen 3.023 N/A LEU 729.A N LEU 725.A O no hydrogen 2.946 N/A MET 730.A N GLU 726.A O no hydrogen 3.229 N/A MET 730.A N ASP 727.A O no hydrogen 3.261 N/A VAL 731.A N ASP 727.A O no hydrogen 3.059 N/A VAL 737.A N PRO 733.A O no hydrogen 2.960 N/A LEU 738.A N PHE 734.A O no hydrogen 2.904 N/A LYS 739.A N SER 735.A O no hydrogen 2.998 N/A PHE 740.A N TYR 736.A O no hydrogen 2.870 N/A LEU 741.A N VAL 737.A O no hydrogen 2.947 N/A LYS 742.A N LEU 738.A O no hydrogen 3.010 N/A LYS 742.A NZ GLU 672.A OE2 no hydrogen 2.430 N/A LYS 742.A NZ GLU 675.A OE2 no hydrogen 3.435 N/A PHE 743.A N LYS 739.A O no hydrogen 2.922 N/A ILE 744.A N PHE 740.A O no hydrogen 2.953 N/A ASP 745.A N LEU 741.A O no hydrogen 2.935 N/A THR 746.A N LYS 742.A O no hydrogen 2.930 N/A THR 746.A OG1 LYS 742.A O no hydrogen 2.905 N/A VAL 747.A N PHE 743.A O no hydrogen 2.880 N/A MET 748.A N ILE 744.A O no hydrogen 3.008 N/A LYS 751.A NZ GLU 794.A OE1 no hydrogen 2.508 N/A LEU 753.A N ASN 750.A O no hydrogen 3.278 N/A LEU 754.A N ASN 750.A O no hydrogen 3.131 N/A SER 756.A N THR 752.A O no hydrogen 3.221 N/A SER 756.A OG THR 752.A O no hydrogen 2.879 N/A SER 756.A OG HIS 757.A ND1 no hydrogen 3.423 N/A HIS 757.A N LEU 754.A O no hydrogen 3.224 N/A ILE 761.A N HIS 757.A O no hydrogen 2.984 N/A CYS 762.A N LEU 758.A O no hydrogen 2.869 N/A CYS 762.A SG LEU 758.A O no hydrogen 3.304 N/A LYS 763.A N PRO 759.A O no hydrogen 2.910 N/A ASN 764.A N LEU 760.A O no hydrogen 3.006 N/A LEU 765.A N ILE 761.A O no hydrogen 2.940 N/A PHE 766.A N CYS 762.A O no hydrogen 2.942 N/A PHE 767.A N LYS 763.A O no hydrogen 3.032 N/A ILE 768.A N ASN 764.A O no hydrogen 2.926 N/A ILE 769.A N LEU 765.A O no hydrogen 3.007 N/A LYS 770.A N PHE 766.A O no hydrogen 2.972 N/A PHE 771.A N PHE 767.A O no hydrogen 2.874 N/A ASN 772.A N ILE 768.A O no hydrogen 2.934 N/A GLU 775.A N ASN 772.A O no hydrogen 3.215 N/A LEU 776.A N ASN 772.A O no hydrogen 2.862 N/A VAL 777.A N HIS 773.A O no hydrogen 3.507 N/A SER 778.A N GLU 775.A O no hydrogen 3.172 N/A SER 778.A OG GLU 775.A O no hydrogen 2.893 N/A GLN 779.A N GLU 775.A O no hydrogen 3.049 N/A LYS 785.A N ASN 781.A O no hydrogen 3.069 N/A LEU 786.A N GLU 782.A O no hydrogen 2.886 N/A GLN 787.A N GLU 783.A O no hydrogen 2.913 N/A ILE 788.A N LEU 784.A O no hydrogen 2.923 N/A ASN 789.A N LYS 785.A O no hydrogen 3.005 N/A ARG 790.A N LEU 786.A O no hydrogen 2.927 N/A ARG 790.A NE ASP 745.A OD2 no hydrogen 2.420 N/A VAL 791.A N GLN 787.A O no hydrogen 2.931 N/A LYS 792.A N ILE 788.A O no hydrogen 2.874 N/A THR 793.A N ASN 789.A O no hydrogen 3.032 N/A THR 793.A OG1 ASN 789.A O no hydrogen 2.902 N/A GLU 794.A N ARG 790.A O no hydrogen 3.023 N/A LEU 795.A N VAL 791.A O no hydrogen 2.928 N/A ARG 796.A N LYS 792.A O no hydrogen 2.973 N/A SER 797.A N THR 793.A O no hydrogen 2.951 N/A ALA 798.A N GLU 794.A O no hydrogen 3.017 N/A LEU 799.A N LEU 795.A O no hydrogen 2.980 N/A LYS 800.A N ARG 796.A O no hydrogen 2.955 N/A SER 801.A N SER 797.A O no hydrogen 2.900 N/A THR 802.A N ALA 798.A O no hydrogen 3.014 N/A GLU 803.A N LEU 799.A O no hydrogen 2.982 N/A ASP 804.A N LYS 800.A O no hydrogen 2.950 N/A LEU 806.A N THR 802.A O no hydrogen 3.148 N/A GLY 807.A N GLU 803.A O no hydrogen 3.011 N/A PHE 808.A N ASP 804.A O no hydrogen 2.984 N/A ASN 809.A N ASP 805.A O no hydrogen 2.953 N/A VAL 810.A N LEU 806.A O no hydrogen 3.044 N/A GLN 811.A N GLY 807.A O no hydrogen 3.050 N/A GLY 812.A N PHE 808.A O no hydrogen 2.850 N/A LEU 813.A N ASN 809.A O no hydrogen 2.878 N/A LYS 814.A N VAL 810.A O no hydrogen 3.045 N/A PHE 815.A N GLN 811.A O no hydrogen 2.974 N/A VAL 816.A N GLY 812.A O no hydrogen 2.969 N/A LYS 817.A N LEU 813.A O no hydrogen 3.023 N/A LYS 817.A NZ ASN 821.A OD1 no hydrogen 2.632 N/A GLN 818.A N LYS 814.A O no hydrogen 2.911 N/A GLN 819.A N PHE 815.A O no hydrogen 2.919 N/A TRP 820.A N VAL 816.A O no hydrogen 3.008 N/A ASN 821.A N LYS 817.A O no hydrogen 2.947 N/A LEU 822.A N GLN 818.A O no hydrogen 2.947 N/A ARG 823.A N GLN 819.A O no hydrogen 2.892 N/A HIS 824.A N TRP 820.A O no hydrogen 3.037 N/A HIS 824.A ND1 HIS 824.A O no hydrogen 2.914 N/A ASN 825.A N ASN 821.A O no hydrogen 2.857 N/A GLN 834.A N ASP 830.A O no hydrogen 2.932 N/A GLN 834.A NE2 GLU 838.A OE2 no hydrogen 3.380 N/A GLN 835.A N GLU 831.A O no hydrogen 2.916 N/A GLU 836.A N TYR 832.A O no hydrogen 2.859 N/A LYS 837.A N ASP 833.A O no hydrogen 2.963 N/A GLU 838.A N GLN 834.A O no hydrogen 2.964 N/A SER 839.A N GLN 835.A O no hydrogen 2.903 N/A SER 839.A OG GLN 835.A O no hydrogen 2.767 N/A ASN 840.A N GLU 836.A O no hydrogen 2.955 N/A SER 841.A N LYS 837.A O no hydrogen 2.925 N/A SER 841.A OG LYS 837.A O no hydrogen 3.347 N/A LYS 844.A NZ ALA 842.A O no hydrogen 2.939 N/A