Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7k9h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N TRP 38.A O no hydrogen 3.238 N/A THR 3.A N VAL 36.A O no hydrogen 2.968 N/A SER 5.A N SER 34.A O no hydrogen 3.354 N/A SER 5.A OG ARG 8.A O no hydrogen 3.471 N/A THR 7.A OG1 GLN 136.A O no hydrogen 3.156 N/A THR 7.A OG1 GLY 137.A O no hydrogen 2.459 N/A ARG 8.A NE GLU 115.A OE2 no hydrogen 2.827 N/A ARG 8.A NH2 GLU 115.A OE1 no hydrogen 2.710 N/A ARG 8.A NH2 GLU 115.A OE2 no hydrogen 3.141 N/A TYR 11.A OH LEU 28.A O no hydrogen 2.269 N/A TYR 12.A N LEU 141.A O no hydrogen 3.279 N/A SER 19.A OG GLU 179.A O no hydrogen 3.298 N/A SER 20.A N ASN 178.A O no hydrogen 2.963 N/A VAL 21.A N TYR 177.A O no hydrogen 2.966 N/A HIS 23.A N LEU 175.A O no hydrogen 2.910 N/A THR 25.A N PHE 173.A O no hydrogen 2.934 N/A ASP 27.A N ARG 171.A O no hydrogen 2.991 N/A PHE 29.A N GLN 169.A O no hydrogen 2.909 N/A PHE 32.A N ASP 188.A OD2 no hydrogen 3.337 N/A PHE 33.A N SER 5.A O no hydrogen 2.823 N/A SER 34.A OG PRO 31.A O no hydrogen 3.403 N/A VAL 36.A N THR 3.A O no hydrogen 2.856 N/A THR 37.A N VAL 165.A O no hydrogen 2.904 N/A TRP 38.A N ALA 1.A O no hydrogen 3.460 N/A PHE 39.A N TYR 163.A O no hydrogen 2.900 N/A HIS 40.A ND1 ALA 161.A O no hydrogen 2.704 N/A PHE 46.A N THR 154.A O no hydrogen 2.829 N/A VAL 50.A N PHE 118.A O no hydrogen 2.913 N/A TYR 51.A N GLY 166.A O no hydrogen 2.910 N/A TYR 51.A OH GLU 115.A OE2 no hydrogen 2.722 N/A PHE 52.A N PHE 116.A O no hydrogen 2.913 N/A ALA 53.A N TYR 164.A O no hydrogen 2.956 N/A SER 54.A N ARG 114.A O no hydrogen 2.924 N/A SER 54.A OG ALA 162.A O no hydrogen 3.554 N/A ARG 62.A N LEU 159.A O no hydrogen 3.314 N/A ARG 62.A NE ASN 81.A O no hydrogen 2.979 N/A ARG 62.A NH2 ASN 81.A O no hydrogen 2.430 N/A GLY 63.A N LEU 159.A O no hydrogen 2.939 N/A TRP 64.A N ILE 79.A O no hydrogen 2.859 N/A ILE 65.A N GLN 157.A O no hydrogen 2.867 N/A PHE 66.A N LEU 77.A O no hydrogen 2.855 N/A GLY 67.A N ARG 155.A O no hydrogen 2.931 N/A THR 68.A OG1 ASN 152.A O no hydrogen 2.826 N/A ASP 71.A N THR 69.A OG1 no hydrogen 3.278 N/A SER 72.A N ASP 71.A OD1 no hydrogen 2.798 N/A SER 72.A OG PHE 93.A O no hydrogen 3.360 N/A LYS 73.A NZ LYS 73.A O no hydrogen 2.988 N/A THR 74.A N ASP 71.A O no hydrogen 3.296 N/A SER 76.A N CYS 91.A O no hydrogen 3.157 N/A SER 76.A OG CYS 91.A O no hydrogen 3.331 N/A LEU 77.A N PHE 66.A O no hydrogen 2.885 N/A LEU 78.A N LYS 89.A O no hydrogen 2.853 N/A ILE 79.A N TRP 64.A O no hydrogen 2.951 N/A VAL 80.A N VAL 87.A O no hydrogen 2.897 N/A ASN 81.A N ARG 62.A O no hydrogen 3.042 N/A ASN 82.A N ASN 85.A O no hydrogen 2.897 N/A VAL 87.A N VAL 80.A O no hydrogen 2.887 N/A ILE 88.A N TYR 107.A O no hydrogen 2.951 N/A LYS 89.A N LEU 78.A O no hydrogen 2.956 N/A CYS 91.A N SER 76.A O no hydrogen 3.179 N/A GLU 92.A N ASN 101.A O no hydrogen 2.978 N/A THR 104.A N VAL 90.A O no hydrogen 3.325 N/A THR 104.A OG1 VAL 90.A O no hydrogen 3.380 N/A TYR 107.A N ILE 88.A O no hydrogen 2.867 N/A LYS 111.A NZ ILE 131.A O no hydrogen 3.125 N/A LEU 113.A N THR 129.A O no hydrogen 2.905 N/A ARG 114.A N SER 54.A O no hydrogen 2.874 N/A ARG 114.A NE HIS 128.A ND1 no hydrogen 3.599 N/A GLU 115.A N LYS 127.A O no hydrogen 2.920 N/A PHE 116.A N PHE 52.A O no hydrogen 2.845 N/A VAL 117.A N TYR 125.A O no hydrogen 2.932 N/A PHE 118.A N VAL 50.A O no hydrogen 2.946 N/A LYS 119.A N LYS 123.A O no hydrogen 2.964 N/A PHE 122.A N LEU 147.A O no hydrogen 2.956 N/A LYS 123.A N LYS 119.A O no hydrogen 2.870 N/A LYS 123.A NZ TYR 121.A O no hydrogen 3.244 N/A ILE 124.A N VAL 145.A O no hydrogen 2.930 N/A TYR 125.A N VAL 117.A O no hydrogen 2.958 N/A SER 126.A N GLU 142.A O no hydrogen 3.472 N/A LYS 127.A N GLU 115.A O no hydrogen 2.897 N/A LYS 127.A NZ ALA 140.A O no hydrogen 2.790 N/A THR 129.A N LEU 113.A O no hydrogen 2.877 N/A ILE 131.A N LYS 111.A O no hydrogen 2.427 N/A LEU 141.A N VAL 10.A O no hydrogen 2.704 N/A LEU 144.A N ILE 124.A O no hydrogen 3.073 N/A VAL 145.A N ILE 124.A O no hydrogen 3.035 N/A LEU 147.A N PHE 122.A O no hydrogen 2.775 N/A THR 154.A N GLY 67.A O no hydrogen 3.099 N/A ARG 155.A N GLY 67.A O no hydrogen 2.879 N/A ARG 155.A NH1 VAL 43.A O no hydrogen 3.499 N/A PHE 156.A N LEU 44.A O no hydrogen 2.911 N/A GLN 157.A N ILE 65.A O no hydrogen 2.880 N/A THR 158.A OG1 GLY 63.A O no hydrogen 3.413 N/A LEU 159.A N GLY 63.A O no hydrogen 2.862 N/A TYR 164.A N ALA 53.A O no hydrogen 2.900 N/A VAL 165.A N THR 37.A O no hydrogen 2.925 N/A GLY 166.A N TYR 51.A O no hydrogen 2.888 N/A GLN 169.A N PHE 29.A O no hydrogen 2.908 N/A ARG 171.A NE ASP 188.A OD1 no hydrogen 3.053 N/A PHE 173.A N THR 25.A O no hydrogen 2.838 N/A LEU 174.A N VAL 187.A O no hydrogen 2.966 N/A LEU 175.A N HIS 23.A O no hydrogen 2.860 N/A LYS 176.A N ASP 185.A O no hydrogen 3.148 N/A TYR 177.A N VAL 21.A O no hydrogen 2.893 N/A GLU 179.A N GLU 179.A OE1 no hydrogen 2.438 N/A GLY 181.A N ASN 178.A O no hydrogen 2.998 N/A THR 182.A N ASN 178.A OD1 no hydrogen 2.819 N/A THR 182.A OG1 ASN 178.A OD1 no hydrogen 2.980 N/A ILE 183.A N TYR 12.A OH no hydrogen 3.365 N/A THR 184.A N LYS 176.A O no hydrogen 2.911 N/A THR 184.A OG1 THR 182.A O no hydrogen 2.921 N/A ALA 186.A N ASP 185.A OD1 no hydrogen 2.470 N/A VAL 187.A N LEU 174.A O no hydrogen 2.927 N/A CYS 189.A N THR 172.A O no hydrogen 3.037 N/A LEU 191.A N ASP 188.A O no hydrogen 3.372 N/A SER 195.A OG ASP 192.A OD1 no hydrogen 2.585 N/A GLU 196.A N ASP 192.A O no hydrogen 2.980 N/A THR 197.A N PRO 193.A O no hydrogen 2.901 N/A THR 197.A OG1 PRO 193.A O no hydrogen 3.129 N/A LYS 198.A N LEU 194.A O no hydrogen 2.928 N/A CYS 199.A N SER 195.A O no hydrogen 2.940 N/A CYS 199.A SG SER 195.A O no hydrogen 3.354 N/A THR 200.A N GLU 196.A O no hydrogen 2.915 N/A THR 200.A OG1 GLU 196.A O no hydrogen 3.093 N/A LEU 201.A N THR 197.A O no hydrogen 2.920 N/A LYS 202.A N CYS 199.A O no hydrogen 3.095 N/A SER 203.A N LYS 198.A O no hydrogen 3.215 N/A SER 203.A OG THR 205.A O no hydrogen 3.131 N/A THR 205.A N SER 203.A OG no hydrogen 3.125 N/A VAL 206.A N THR 463.A OG1 no hydrogen 3.249 N/A LYS 208.A NZ ASP 504.A OD1 no hydrogen 2.693 N/A GLY 209.A N THR 460.A O no hydrogen 3.004 N/A TYR 211.A N VAL 458.A O no hydrogen 3.022 N/A TYR 211.A OH GLU 207.A O no hydrogen 2.254 N/A THR 213.A N VAL 456.A O no hydrogen 3.041 N/A THR 213.A OG1 VAL 456.A O no hydrogen 3.531 N/A PHE 216.A N GLY 454.A O no hydrogen 2.868 N/A VAL 218.A N SER 452.A O no hydrogen 3.074 N/A THR 221.A N CYS 399.A O no hydrogen 2.794 N/A THR 221.A OG1 GLU 222.A OE1 no hydrogen 2.343 N/A THR 221.A OG1 CYS 399.A O no hydrogen 3.279 N/A ILE 224.A N ASN 401.A O no hydrogen 2.893 N/A VAL 225.A N THR 392.A OG1 no hydrogen 3.409 N/A ARG 226.A N ASN 403.A O no hydrogen 2.923 N/A ARG 226.A NH1 ASP 439.A OD2 no hydrogen 3.381 N/A ARG 226.A NH2 ASP 439.A OD2 no hydrogen 2.841 N/A CYS 234.A N VAL 260.A O no hydrogen 2.420 N/A PHE 236.A N CYS 234.A O no hydrogen 2.749 N/A PHE 240.A N PHE 236.A O no hydrogen 2.931 N/A ASN 241.A N GLY 237.A O no hydrogen 2.852 N/A ASN 252.A N SER 297.A O no hydrogen 2.985 N/A LYS 254.A N ALA 295.A O no hydrogen 2.859 N/A ILE 256.A N VAL 293.A O no hydrogen 2.849 N/A VAL 260.A N ASN 232.A O no hydrogen 3.076 N/A ALA 261.A N CYS 386.A O no hydrogen 2.986 N/A LEU 266.A N ASP 262.A O no hydrogen 2.954 N/A TYR 267.A N TYR 263.A O no hydrogen 2.919 N/A ASN 268.A N SER 264.A O no hydrogen 2.839 N/A SER 269.A N VAL 265.A O no hydrogen 2.978 N/A THR 274.A N ALA 333.A O no hydrogen 2.940 N/A LYS 276.A N VAL 331.A O no hydrogen 2.950 N/A TYR 278.A N GLY 329.A O no hydrogen 3.153 N/A LEU 285.A N PRO 282.A O no hydrogen 3.391 N/A LEU 288.A N LYS 284.A O no hydrogen 3.039 N/A CYS 289.A SG PHE 290.A O no hydrogen 3.634 N/A CYS 289.A SG VAL 385.A O no hydrogen 3.019 N/A PHE 290.A N VAL 385.A O no hydrogen 2.891 N/A VAL 293.A N ILE 256.A O no hydrogen 2.949 N/A TYR 294.A N SER 381.A O no hydrogen 2.954 N/A ALA 295.A N LYS 254.A O no hydrogen 2.918 N/A ASP 296.A N VAL 379.A O no hydrogen 2.880 N/A SER 297.A N ASN 252.A O no hydrogen 2.900 N/A PHE 298.A N VAL 377.A O no hydrogen 2.931 N/A VAL 305.A N ARG 301.A O no hydrogen 2.435 N/A ARG 306.A N GLY 302.A O no hydrogen 2.784 N/A GLN 307.A N ASP 303.A O no hydrogen 2.568 N/A ILE 308.A N GLU 304.A O no hydrogen 2.386 N/A GLN 312.A N ALA 309.A O no hydrogen 3.090 N/A ASP 318.A N GLY 314.A O no hydrogen 2.867 N/A TYR 319.A N LYS 315.A O no hydrogen 2.972 N/A TYR 321.A N ILE 316.A O no hydrogen 2.851 N/A CYS 330.A N LEU 380.A O no hydrogen 3.000 N/A VAL 331.A N LYS 276.A O no hydrogen 2.871 N/A ILE 332.A N VAL 378.A O no hydrogen 2.880 N/A ALA 333.A N THR 274.A O no hydrogen 2.828 N/A TRP 334.A N ARG 376.A O no hydrogen 2.954 N/A ASP 340.A N SER 336.A O no hydrogen 2.671 N/A GLY 345.A N LYS 342.A O no hydrogen 3.224 N/A TYR 351.A N GLN 360.A O no hydrogen 2.898 N/A PHE 355.A N LYS 322.A O no hydrogen 2.362 N/A GLN 360.A N TYR 351.A O no hydrogen 2.902 N/A ASN 368.A N GLN 365.A O no hydrogen 2.975 N/A GLN 373.A N GLY 369.A O no hydrogen 2.556 N/A TYR 375.A N ILE 300.A O no hydrogen 2.860 N/A VAL 377.A N PHE 298.A O no hydrogen 2.920 N/A VAL 378.A N ILE 332.A O no hydrogen 2.908 N/A VAL 379.A N ASP 296.A O no hydrogen 2.888 N/A LEU 380.A N CYS 330.A O no hydrogen 2.805 N/A SER 381.A N TYR 294.A O no hydrogen 2.860 N/A THR 384.A N THR 291.A O no hydrogen 3.155 N/A VAL 385.A N PHE 290.A O no hydrogen 2.907 N/A CYS 386.A N CYS 259.A O no hydrogen 3.144 N/A CYS 386.A SG ALA 383.A O no hydrogen 3.501 N/A THR 392.A N VAL 225.A O no hydrogen 2.977 N/A THR 392.A OG1 VAL 225.A O no hydrogen 3.347 N/A THR 392.A OG1 ASN 393.A O no hydrogen 3.077 N/A LEU 394.A N ASN 393.A OD1 no hydrogen 2.394 N/A ASN 397.A N LEU 413.A O no hydrogen 2.868 N/A LYS 398.A NZ THR 221.A OG1 no hydrogen 2.597 N/A LYS 398.A NZ GLU 222.A OE1 no hydrogen 2.749 N/A LYS 398.A NZ GLU 222.A OE2 no hydrogen 3.211 N/A CYS 399.A SG VAL 218.A O no hydrogen 4.034 N/A VAL 400.A N GLY 411.A O no hydrogen 2.925 N/A ASN 401.A N GLU 222.A O no hydrogen 3.016 N/A PHE 402.A N GLY 409.A O no hydrogen 2.835 N/A ASN 403.A N ILE 224.A O no hydrogen 2.884 N/A PHE 404.A N LEU 407.A O no hydrogen 2.859 N/A ASN 405.A N ARG 226.A O no hydrogen 3.223 N/A GLY 406.A N ASN 403.A OD1 no hydrogen 3.151 N/A LEU 407.A N PHE 404.A O no hydrogen 2.899 N/A GLY 409.A N PHE 402.A O no hydrogen 2.995 N/A GLY 411.A N VAL 400.A O no hydrogen 2.916 N/A VAL 412.A N THR 449.A O no hydrogen 2.852 N/A THR 414.A N ASP 447.A O no hydrogen 2.974 N/A THR 414.A OG1 GLU 415.A O no hydrogen 3.512 N/A SER 416.A N ILE 445.A O no hydrogen 3.293 N/A SER 416.A OG ILE 445.A O no hydrogen 2.478 N/A LYS 418.A NZ ASP 435.A OD1 no hydrogen 2.240 N/A LYS 418.A NZ ASP 447.A OD1 no hydrogen 3.518 N/A GLN 424.A N LEU 421.A O no hydrogen 2.692 N/A GLN 425.A NE2 PHE 423.A O no hydrogen 3.059 N/A ARG 428.A NE GLY 427.A O no hydrogen 3.299 N/A ASP 429.A N THR 433.A O no hydrogen 2.878 N/A THR 433.A OG1 ALA 431.A O no hydrogen 3.294 N/A VAL 437.A N LEU 446.A O no hydrogen 2.884 N/A ARG 438.A NE GLN 424.A O no hydrogen 3.359 N/A ASP 439.A N GLU 444.A O no hydrogen 2.805 N/A GLN 441.A N ASP 439.A OD1 no hydrogen 3.197 N/A GLU 444.A N THR 442.A O no hydrogen 2.588 N/A LEU 446.A N VAL 437.A O no hydrogen 2.866 N/A ASP 447.A N THR 414.A O no hydrogen 2.847 N/A ILE 448.A N ASP 435.A O no hydrogen 2.895 N/A THR 449.A N VAL 412.A O no hydrogen 2.946 N/A GLY 454.A N PHE 216.A O no hydrogen 2.915 N/A VAL 456.A N SER 214.A O no hydrogen 2.950 N/A SER 457.A N LEU 472.A O no hydrogen 2.900 N/A VAL 458.A N TYR 211.A O no hydrogen 2.644 N/A ILE 459.A N ALA 470.A O no hydrogen 2.867 N/A THR 460.A N GLY 209.A O no hydrogen 3.106 N/A THR 460.A OG1 PRO 461.A O no hydrogen 2.541 N/A THR 463.A N VAL 206.A O no hydrogen 3.060 N/A THR 465.A N GLY 462.A O no hydrogen 2.527 N/A SER 466.A N GLY 462.A O no hydrogen 3.358 N/A GLN 468.A N SER 466.A OG no hydrogen 2.905 N/A ALA 470.A N ILE 459.A O no hydrogen 2.968 N/A VAL 471.A N ILE 492.A O no hydrogen 2.902 N/A LEU 472.A N SER 457.A O no hydrogen 2.886 N/A TYR 473.A N CYS 490.A O no hydrogen 2.870 N/A GLN 474.A N GLY 455.A O no hydrogen 2.956 N/A GLN 474.A NE2 GLN 212.A OE1 no hydrogen 3.635 N/A GLN 474.A NE2 SER 457.A OG no hydrogen 2.739 N/A ASP 475.A N ALA 488.A O no hydrogen 2.629 N/A THR 479.A N ASN 477.A OD1 no hydrogen 3.425 N/A THR 479.A OG1 GLU 480.A OE1 no hydrogen 2.397 N/A GLU 480.A N ASN 477.A O no hydrogen 3.450 N/A VAL 481.A N CYS 478.A O no hydrogen 3.330 N/A PHE 484.A N LEU 491.A O no hydrogen 2.897 N/A GLN 485.A NE2 THR 486.A O no hydrogen 3.001 N/A THR 486.A N GLY 489.A O no hydrogen 2.936 N/A THR 486.A OG1 GLY 489.A O no hydrogen 2.832 N/A GLY 489.A N THR 486.A O no hydrogen 2.927 N/A GLY 489.A N THR 486.A OG1 no hydrogen 3.232 N/A CYS 490.A N TYR 473.A O no hydrogen 3.009 N/A CYS 490.A SG PHE 484.A O no hydrogen 3.442 N/A LEU 491.A N PHE 484.A O no hydrogen 2.879 N/A ILE 492.A N VAL 471.A O no hydrogen 2.861 N/A GLY 493.A N ASN 482.A O no hydrogen 3.184 N/A GLU 495.A N ILE 521.A O no hydrogen 3.039 N/A TYR 501.A OH ASN 499.A OD1 no hydrogen 2.917 N/A ILE 505.A N ALA 513.A O no hydrogen 2.933 N/A ILE 507.A N ILE 511.A O no hydrogen 2.906 N/A CYS 512.A N TYR 524.A O no hydrogen 2.896 N/A ALA 513.A N ILE 505.A O no hydrogen 2.890 N/A SER 514.A N ILE 522.A O no hydrogen 2.924 N/A SER 514.A OG ASP 504.A OD2 no hydrogen 2.389 N/A GLN 516.A N SER 520.A O no hydrogen 2.947 N/A SER 520.A N GLN 516.A O no hydrogen 2.896 N/A ILE 522.A N SER 514.A O no hydrogen 2.867 N/A ALA 523.A N GLU 495.A O no hydrogen 2.899 N/A TYR 524.A N CYS 512.A O no hydrogen 2.939 N/A TYR 524.A OH GLU 502.A O no hydrogen 2.989 N/A THR 525.A OG1 GLY 510.A O no hydrogen 3.434 N/A MET 526.A N GLY 510.A O no hydrogen 3.348 N/A SER 527.A N TYR 501.A O no hydrogen 3.121 N/A GLY 529.A N SER 527.A OG no hydrogen 3.342 N/A SER 537.A OG ASN 538.A OD1 no hydrogen 3.538 N/A SER 537.A OG ASN 539.A OD1 no hydrogen 3.339 N/A ILE 541.A N PHE 878.A O no hydrogen 2.908 N/A ILE 543.A N LYS 876.A O no hydrogen 2.941 N/A THR 545.A N GLN 874.A O no hydrogen 2.888 N/A THR 545.A OG1 GLN 874.A O no hydrogen 2.522 N/A ASN 546.A ND2 GLN 874.A OE1 no hydrogen 3.260 N/A THR 548.A N VAL 871.A O no hydrogen 2.955 N/A THR 548.A OG1 VAL 871.A O no hydrogen 3.292 N/A SER 550.A N THR 869.A O no hydrogen 3.176 N/A SER 550.A OG THR 869.A OG1 no hydrogen 2.917 N/A THR 552.A N HIS 867.A O no hydrogen 3.214 N/A GLU 554.A N PHE 865.A O no hydrogen 3.047 N/A LEU 556.A N VAL 863.A O no hydrogen 3.092 N/A VAL 558.A N HIS 861.A O no hydrogen 3.496 N/A MET 560.A N GLN 603.A OE1 no hydrogen 2.920 N/A LYS 562.A NZ ASP 604.A OD2 no hydrogen 2.404 N/A SER 564.A N THR 662.A O no hydrogen 2.897 N/A SER 564.A OG VAL 565.A O no hydrogen 3.515 N/A TYR 570.A N ASP 566.A O no hydrogen 2.958 N/A TYR 570.A OH LEU 765.A O no hydrogen 3.111 N/A TYR 570.A OH SER 806.A OG no hydrogen 3.290 N/A ILE 571.A N CYS 567.A O no hydrogen 2.863 N/A CYS 572.A N THR 568.A O no hydrogen 2.895 N/A CYS 578.A N SER 575.A OG no hydrogen 3.316 N/A SER 579.A N SER 575.A O no hydrogen 2.955 N/A SER 579.A OG SER 575.A O no hydrogen 3.507 N/A SER 579.A OG THR 576.A O no hydrogen 3.049 N/A SER 579.A OG ASN 580.A OD1 no hydrogen 3.555 N/A ASN 580.A N THR 576.A O no hydrogen 2.905 N/A LEU 581.A N GLU 577.A O no hydrogen 3.011 N/A LEU 582.A N CYS 578.A O no hydrogen 2.936 N/A GLN 584.A N LEU 581.A O no hydrogen 3.296 N/A TYR 585.A N LEU 582.A O no hydrogen 3.147 N/A TYR 585.A OH ASP 797.A OD2 no hydrogen 3.108 N/A GLY 586.A N LEU 583.A O no hydrogen 3.343 N/A GLN 591.A N SER 587.A O no hydrogen 3.155 N/A LEU 592.A N PHE 588.A O no hydrogen 3.198 N/A ASN 593.A N CYS 589.A O no hydrogen 3.015 N/A ASN 593.A ND2 CYS 589.A O no hydrogen 2.812 N/A ARG 594.A N THR 590.A O no hydrogen 2.874 N/A ALA 595.A N GLN 591.A O no hydrogen 2.997 N/A LEU 596.A N LEU 592.A O no hydrogen 3.008 N/A THR 597.A N ASN 593.A O no hydrogen 2.944 N/A THR 597.A OG1 ASN 593.A O no hydrogen 3.098 N/A GLY 598.A N ARG 594.A O no hydrogen 2.935 N/A ILE 599.A N ALA 595.A O no hydrogen 3.036 N/A ALA 600.A N LEU 596.A O no hydrogen 2.932 N/A VAL 601.A N THR 597.A O no hydrogen 2.965 N/A GLU 602.A N GLY 598.A O no hydrogen 3.015 N/A GLN 603.A N ILE 599.A O no hydrogen 2.976 N/A GLN 603.A NE2 ILE 599.A O no hydrogen 3.533 N/A ASP 604.A N VAL 601.A O no hydrogen 2.991 N/A LYS 605.A N VAL 601.A O no hydrogen 3.060 N/A ASN 606.A N GLU 602.A O no hydrogen 2.948 N/A ASN 606.A ND2 VAL 558.A O no hydrogen 3.331 N/A GLN 608.A N ASP 604.A O no hydrogen 3.019 N/A GLU 609.A N LYS 605.A O no hydrogen 2.924 N/A VAL 610.A N ASN 606.A O no hydrogen 2.945 N/A PHE 611.A N THR 607.A O no hydrogen 2.996 N/A ALA 612.A N GLN 608.A O no hydrogen 2.923 N/A GLN 613.A N PHE 611.A O no hydrogen 2.668 N/A GLN 613.A NE2 ALA 829.A O no hydrogen 3.626 N/A LYS 624.A NZ THR 620.A OG1 no hydrogen 3.419 N/A LYS 624.A NZ PRO 621.A O no hydrogen 2.653 N/A SER 632.A N ASN 630.A OD1 no hydrogen 3.327 N/A SER 632.A OG ASN 630.A OD1 no hydrogen 3.164 N/A ILE 634.A N PHE 631.A O no hydrogen 2.956 N/A LEU 635.A N PHE 631.A O no hydrogen 3.107 N/A SER 639.A OG ASP 637.A OD1 no hydrogen 3.249 N/A LYS 640.A N ASP 637.A O no hydrogen 3.178 N/A LYS 640.A NZ ASP 649.A OD2 no hydrogen 2.315 N/A ARG 644.A NE ASP 649.A OD1 no hydrogen 2.997 N/A SER 645.A N GLU 648.A OE2 no hydrogen 3.424 N/A SER 645.A OG ILE 634.A O no hydrogen 3.223 N/A SER 645.A OG GLU 648.A OE2 no hydrogen 2.870 N/A SER 645.A OG GLN 857.A OE1 no hydrogen 3.293 N/A ASP 649.A N SER 645.A O no hydrogen 2.924 N/A LEU 650.A N PHE 646.A O no hydrogen 2.984 N/A LEU 651.A N ILE 647.A O no hydrogen 2.917 N/A PHE 652.A N GLU 648.A O no hydrogen 2.934 N/A ASN 653.A N ASP 649.A O no hydrogen 2.947 N/A LYS 654.A N LEU 651.A O no hydrogen 3.394 N/A LYS 654.A NZ LEU 741.A O no hydrogen 3.402 N/A LYS 654.A NZ THR 744.A O no hydrogen 2.765 N/A THR 662.A N SER 564.A O no hydrogen 2.902 N/A THR 662.A OG1 SER 564.A O no hydrogen 3.252 N/A LEU 664.A N LYS 562.A O no hydrogen 2.881 N/A LEU 667.A N ASP 604.A OD1 no hydrogen 3.017 N/A ILE 673.A N THR 669.A O no hydrogen 2.941 N/A ALA 674.A N ASP 670.A O no hydrogen 2.920 N/A GLN 675.A N GLU 671.A O no hydrogen 2.925 N/A GLN 675.A NE2 GLU 671.A OE2 no hydrogen 2.788 N/A TYR 676.A N MET 672.A O no hydrogen 2.962 N/A THR 677.A N ILE 673.A O no hydrogen 2.964 N/A THR 677.A OG1 ILE 673.A O no hydrogen 3.505 N/A THR 677.A OG1 ALA 674.A O no hydrogen 3.035 N/A SER 678.A N ALA 674.A O no hydrogen 2.902 N/A ALA 679.A N GLN 675.A O no hydrogen 2.936 N/A LEU 680.A N TYR 676.A O no hydrogen 2.979 N/A LEU 681.A N THR 677.A O no hydrogen 2.923 N/A ALA 682.A N SER 678.A O no hydrogen 2.916 N/A GLY 683.A N ALA 679.A O no hydrogen 2.907 N/A THR 684.A N LEU 680.A O no hydrogen 2.963 N/A ILE 685.A N LEU 681.A O no hydrogen 3.004 N/A THR 686.A N ALA 682.A O no hydrogen 2.978 N/A THR 686.A OG1 ALA 682.A O no hydrogen 3.096 N/A SER 687.A N GLY 683.A O no hydrogen 2.916 N/A SER 687.A OG GLY 683.A O no hydrogen 2.544 N/A GLY 688.A N THR 684.A O no hydrogen 2.982 N/A THR 690.A N SER 687.A O no hydrogen 3.113 N/A THR 690.A OG1 SER 687.A O no hydrogen 3.484 N/A GLY 692.A N TRP 689.A O no hydrogen 3.160 N/A ALA 693.A N THR 690.A O no hydrogen 3.167 N/A GLN 698.A N GLN 698.A OE1 no hydrogen 3.117 N/A GLN 704.A N PRO 700.A O no hydrogen 2.919 N/A GLN 704.A NE2 THR 684.A O no hydrogen 3.695 N/A MET 705.A N PHE 701.A O no hydrogen 2.907 N/A ALA 706.A N ALA 702.A O no hydrogen 2.935 N/A TYR 707.A N MET 703.A O no hydrogen 2.941 N/A ARG 708.A N GLN 704.A O no hydrogen 2.937 N/A ARG 708.A NH1 LEU 852.A O no hydrogen 3.016 N/A PHE 709.A N MET 705.A O no hydrogen 2.899 N/A ASN 710.A N ALA 706.A O no hydrogen 2.939 N/A GLY 711.A N TYR 707.A O no hydrogen 2.948 N/A GLY 711.A N ARG 708.A O no hydrogen 2.963 N/A ILE 712.A N PHE 709.A O no hydrogen 2.954 N/A VAL 714.A N PHE 709.A O no hydrogen 3.294 N/A THR 715.A N GLN 909.A OE1 no hydrogen 3.450 N/A THR 715.A OG1 ASN 717.A OD1 no hydrogen 3.528 N/A THR 715.A OG1 GLN 909.A OE1 no hydrogen 3.191 N/A VAL 718.A N THR 715.A O no hydrogen 3.450 N/A LEU 719.A N GLN 716.A O no hydrogen 3.027 N/A GLU 721.A N ASN 717.A O no hydrogen 2.941 N/A ASN 722.A N LEU 719.A O no hydrogen 2.913 N/A ASN 722.A ND2 VAL 718.A O no hydrogen 2.894 N/A GLN 723.A NE2 GLY 627.A O no hydrogen 2.683 N/A ILE 726.A N ASN 722.A O no hydrogen 2.990 N/A ALA 727.A N GLN 723.A O no hydrogen 2.922 N/A ASN 728.A N LYS 724.A O no hydrogen 2.976 N/A GLN 729.A N LEU 725.A O no hydrogen 2.966 N/A GLN 729.A NE2 PHE 547.A O no hydrogen 3.674 N/A PHE 730.A N ILE 726.A O no hydrogen 2.951 N/A ASN 731.A N ALA 727.A O no hydrogen 2.986 N/A ASN 731.A ND2 GLY 628.A O no hydrogen 3.604 N/A SER 732.A N ASN 728.A O no hydrogen 2.955 N/A SER 732.A OG GLN 729.A O no hydrogen 3.010 N/A ALA 733.A N GLN 729.A O no hydrogen 2.952 N/A ILE 734.A N PHE 730.A O no hydrogen 2.986 N/A GLY 735.A N ASN 731.A O no hydrogen 2.974 N/A LYS 736.A N SER 732.A O no hydrogen 2.919 N/A ILE 737.A N ALA 733.A O no hydrogen 3.000 N/A GLN 738.A N ILE 734.A O no hydrogen 2.982 N/A ASP 739.A N GLY 735.A O no hydrogen 2.964 N/A SER 740.A N LYS 736.A O no hydrogen 2.886 N/A LEU 741.A N ILE 737.A O no hydrogen 2.981 N/A SER 742.A N GLN 738.A O no hydrogen 2.965 N/A SER 742.A OG GLN 738.A O no hydrogen 3.024 N/A SER 742.A OG ASP 739.A O no hydrogen 2.761 N/A SER 743.A N ASP 739.A O no hydrogen 2.895 N/A SER 743.A OG ASP 739.A O no hydrogen 3.320 N/A SER 743.A OG SER 740.A O no hydrogen 3.183 N/A THR 744.A N SER 740.A O no hydrogen 2.951 N/A LEU 751.A N LEU 748.A O no hydrogen 3.250 N/A GLN 752.A N LEU 748.A O no hydrogen 3.011 N/A ASP 753.A N GLY 749.A O no hydrogen 2.866 N/A VAL 755.A N LEU 751.A O no hydrogen 3.117 N/A ASN 756.A N GLN 752.A O no hydrogen 2.890 N/A GLN 757.A N ASP 753.A O no hydrogen 2.900 N/A ASN 758.A N VAL 754.A O no hydrogen 3.063 N/A ALA 759.A N VAL 755.A O no hydrogen 2.998 N/A GLN 760.A N ASN 756.A O no hydrogen 2.898 N/A ALA 761.A N GLN 757.A O no hydrogen 2.981 N/A LEU 762.A N ASN 758.A O no hydrogen 3.045 N/A ASN 763.A N ALA 759.A O no hydrogen 2.922 N/A THR 764.A N GLN 760.A O no hydrogen 2.955 N/A THR 764.A OG1 GLN 760.A O no hydrogen 3.212 N/A LEU 765.A N ALA 761.A O no hydrogen 2.985 N/A VAL 766.A N LEU 762.A O no hydrogen 2.938 N/A LYS 767.A N ASN 763.A O no hydrogen 2.918 N/A GLN 768.A N THR 764.A O no hydrogen 2.986 N/A LEU 769.A N VAL 766.A O no hydrogen 3.095 N/A SER 770.A N LYS 767.A O no hydrogen 3.038 N/A SER 770.A OG LYS 767.A O no hydrogen 2.818 N/A SER 771.A N GLN 768.A O no hydrogen 3.428 N/A ALA 775.A N ASN 772.A O no hydrogen 3.179 N/A ILE 783.A N VAL 779.A O no hydrogen 3.016 N/A LEU 784.A N LEU 780.A O no hydrogen 2.978 N/A SER 785.A N ASN 781.A O no hydrogen 2.853 N/A ARG 786.A N ASP 782.A O no hydrogen 2.934 N/A ARG 786.A N ILE 783.A O no hydrogen 3.275 N/A LEU 787.A N ILE 783.A O no hydrogen 2.958 N/A ALA 792.A N ASP 788.A O no hydrogen 2.897 N/A VAL 794.A N GLU 791.A O no hydrogen 3.202 N/A ILE 796.A N ALA 792.A O no hydrogen 3.006 N/A ASP 797.A N GLU 793.A O no hydrogen 2.870 N/A ARG 798.A N VAL 794.A O no hydrogen 2.965 N/A LEU 799.A N GLN 795.A O no hydrogen 3.050 N/A ILE 800.A N ILE 796.A O no hydrogen 2.861 N/A THR 801.A N ASP 797.A O no hydrogen 2.960 N/A THR 801.A OG1 ASP 797.A O no hydrogen 3.383 N/A THR 801.A OG1 ARG 798.A O no hydrogen 2.785 N/A GLY 802.A N ARG 798.A O no hydrogen 3.090 N/A ARG 803.A N LEU 799.A O no hydrogen 2.910 N/A ARG 803.A NH1 ILE 571.A O no hydrogen 2.610 N/A ARG 803.A NH2 LEU 769.A O no hydrogen 3.479 N/A LEU 804.A N ILE 800.A O no hydrogen 2.926 N/A GLN 805.A N THR 801.A O no hydrogen 3.022 N/A SER 806.A N GLY 802.A O no hydrogen 3.033 N/A SER 806.A OG TYR 570.A OH no hydrogen 3.290 N/A SER 806.A OG ARG 803.A O no hydrogen 2.773 N/A LEU 807.A N ARG 803.A O no hydrogen 2.943 N/A GLN 808.A N LEU 804.A O no hydrogen 2.971 N/A THR 809.A N GLN 805.A O no hydrogen 3.006 N/A THR 809.A OG1 GLN 805.A O no hydrogen 3.099 N/A TYR 810.A N SER 806.A O no hydrogen 3.024 N/A VAL 811.A N LEU 807.A O no hydrogen 2.981 N/A THR 812.A N GLN 808.A O no hydrogen 2.980 N/A THR 812.A OG1 GLN 808.A O no hydrogen 3.282 N/A GLN 813.A N THR 809.A O no hydrogen 3.024 N/A GLN 814.A N TYR 810.A O no hydrogen 2.966 N/A LEU 815.A N VAL 811.A O no hydrogen 2.956 N/A ILE 816.A N THR 812.A O no hydrogen 3.106 N/A ARG 817.A N GLN 813.A O no hydrogen 2.973 N/A ARG 817.A NE GLN 757.A OE1 no hydrogen 3.023 N/A ALA 818.A N GLN 814.A O no hydrogen 2.862 N/A ALA 819.A N LEU 815.A O no hydrogen 3.015 N/A GLU 820.A N ILE 816.A O no hydrogen 3.081 N/A ILE 821.A N ARG 817.A O no hydrogen 2.960 N/A ARG 822.A N ALA 818.A O no hydrogen 2.870 N/A ARG 822.A NE GLU 602.A OE1 no hydrogen 2.666 N/A ALA 823.A N ALA 819.A O no hydrogen 3.009 N/A SER 824.A N GLU 820.A O no hydrogen 3.062 N/A ALA 825.A N ILE 821.A O no hydrogen 2.854 N/A ASN 826.A N ARG 822.A O no hydrogen 2.909 N/A LEU 827.A N ALA 823.A O no hydrogen 3.018 N/A ALA 828.A N SER 824.A O no hydrogen 2.900 N/A ALA 829.A N ALA 825.A O no hydrogen 2.919 N/A THR 830.A N ASN 826.A O no hydrogen 2.978 N/A THR 830.A OG1 ASN 826.A O no hydrogen 3.098 N/A LYS 831.A N LEU 827.A O no hydrogen 2.922 N/A LYS 831.A NZ GLU 554.A OE1 no hydrogen 2.771 N/A LYS 831.A NZ GLU 554.A OE2 no hydrogen 3.297 N/A MET 832.A N ALA 828.A O no hydrogen 2.911 N/A SER 833.A N ALA 829.A O no hydrogen 2.996 N/A SER 833.A OG ALA 829.A O no hydrogen 2.837 N/A GLU 834.A N THR 830.A O no hydrogen 2.938 N/A CYS 835.A N LYS 831.A O no hydrogen 2.796 N/A CYS 835.A SG HIS 851.A NE2 no hydrogen 3.236 N/A CYS 835.A SG SER 854.A OG no hydrogen 2.820 N/A VAL 836.A N MET 832.A O no hydrogen 2.987 N/A LEU 837.A N MET 832.A O no hydrogen 3.325 N/A GLN 839.A NE2 ARG 708.A O no hydrogen 2.948 N/A GLN 839.A NE2 HIS 851.A O no hydrogen 3.201 N/A SER 840.A N HIS 851.A ND1 no hydrogen 3.363 N/A ARG 842.A N SER 840.A OG no hydrogen 3.212 N/A PHE 845.A N ARG 842.A O no hydrogen 3.281 N/A TYR 850.A N TYR 870.A O no hydrogen 3.318 N/A HIS 851.A NE2 SER 854.A OG no hydrogen 2.890 N/A LEU 852.A N VAL 868.A O no hydrogen 2.875 N/A MET 853.A N VAL 868.A O no hydrogen 3.010 N/A SER 854.A OG HIS 851.A NE2 no hydrogen 2.890 N/A SER 854.A OG HIS 867.A ND1 no hydrogen 2.791 N/A PHE 855.A N LEU 866.A O no hydrogen 2.943 N/A GLN 857.A N VAL 864.A O no hydrogen 2.820 N/A GLN 857.A NE2 PRO 856.A O no hydrogen 2.349 N/A ALA 859.A N GLY 862.A O no hydrogen 2.934 N/A GLY 862.A N ALA 859.A O no hydrogen 2.933 N/A VAL 863.A N LEU 556.A O no hydrogen 3.112 N/A VAL 864.A N GLN 857.A O no hydrogen 2.892 N/A PHE 865.A N GLU 554.A O no hydrogen 2.873 N/A LEU 866.A N PHE 855.A O no hydrogen 2.896 N/A HIS 867.A N THR 552.A O no hydrogen 2.937 N/A HIS 867.A ND1 SER 854.A OG no hydrogen 2.791 N/A HIS 867.A NE2 GLU 554.A OE1 no hydrogen 2.924 N/A VAL 868.A N MET 853.A O no hydrogen 2.820 N/A THR 869.A N SER 550.A O no hydrogen 3.079 N/A THR 869.A OG1 SER 550.A O no hydrogen 3.445 N/A THR 869.A OG1 LYS 848.A O no hydrogen 3.448 N/A TYR 870.A N TYR 850.A O no hydrogen 2.758 N/A VAL 871.A N THR 548.A O no hydrogen 3.046 N/A GLU 875.A N GLU 875.A OE1 no hydrogen 2.711 N/A LYS 876.A N ILE 543.A O no hydrogen 2.868 N/A PHE 878.A N ILE 541.A O no hydrogen 2.893 N/A THR 880.A N ASN 539.A O no hydrogen 3.072 N/A THR 880.A OG1 ALA 881.A O no hydrogen 3.399 N/A THR 880.A OG1 PHE 898.A O no hydrogen 2.802 N/A ILE 884.A N HIS 891.A O no hydrogen 2.983 N/A CYS 885.A N VAL 936.A O no hydrogen 2.870 N/A HIS 886.A N LYS 889.A O no hydrogen 3.334 N/A LYS 889.A N HIS 886.A O no hydrogen 3.257 N/A LYS 889.A NZ HIS 886.A O no hydrogen 3.553 N/A HIS 891.A N ILE 884.A O no hydrogen 2.874 N/A PHE 892.A N PHE 924.A O no hydrogen 2.908 N/A ARG 894.A N ASN 922.A O no hydrogen 2.452 N/A ARG 894.A NE ASP 921.A O no hydrogen 2.926 N/A VAL 897.A N THR 908.A O no hydrogen 2.854 N/A VAL 899.A N PHE 906.A O no hydrogen 2.901 N/A SER 900.A N THR 879.A O no hydrogen 2.850 N/A SER 900.A OG ASN 901.A OD1 no hydrogen 3.271 N/A SER 900.A OG HIS 904.A O no hydrogen 2.782 N/A ASN 901.A ND2 HIS 904.A ND1 no hydrogen 3.556 N/A GLY 902.A N SER 900.A OG no hydrogen 2.798 N/A THR 903.A N ASN 901.A OD1 no hydrogen 2.391 N/A HIS 904.A N ASN 901.A OD1 no hydrogen 2.353 N/A PHE 906.A N VAL 899.A O no hydrogen 2.855 N/A VAL 907.A N GLN 916.A O no hydrogen 2.929 N/A THR 908.A N VAL 897.A O no hydrogen 2.934 N/A THR 908.A OG1 GLN 909.A O no hydrogen 3.554 N/A THR 908.A OG1 GLU 914.A O no hydrogen 2.787 N/A GLN 909.A NE2 PHE 912.A O no hydrogen 3.251 N/A ASN 911.A ND2 ILE 712.A O no hydrogen 3.666 N/A TYR 913.A N PRO 544.A O no hydrogen 2.808 N/A GLU 914.A N THR 908.A OG1 no hydrogen 2.879 N/A GLN 916.A N VAL 907.A O no hydrogen 2.910 N/A ASP 921.A N THR 919.A OG1 no hydrogen 3.008 N/A ASN 922.A ND2 ILE 917.A O no hydrogen 3.031 N/A THR 923.A OG1 THR 919.A O no hydrogen 3.146 N/A PHE 924.A N PHE 892.A O no hydrogen 2.912 N/A SER 926.A N ALA 890.A O no hydrogen 2.976 N/A SER 926.A OG VAL 925.A O no hydrogen 2.510 N/A VAL 936.A N ALA 883.A O no hydrogen 3.417 N/A THR 939.A N ASN 938.A OD1 no hydrogen 2.272 N/A TYR 941.A N ILE 918.A O no hydrogen 2.948 N/A LEU 948.A N LEU 944.A O no hydrogen 2.913 N/A ASP 949.A N GLN 945.A O no hydrogen 2.915 N/A SER 950.A N PRO 946.A O no hydrogen 2.909 N/A SER 950.A OG PRO 946.A O no hydrogen 3.297 N/A