Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6rxz_UD.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N LEU 746.A O no hydrogen 2.923 N/A HIS 4.A N VAL 748.A O no hydrogen 2.865 N/A CYS 6.A N LEU 750.A O no hydrogen 2.891 N/A CYS 6.A SG HIS 4.A O no hydrogen 3.944 N/A TYR 11.A N VAL 9.A O no hydrogen 2.833 N/A SER 14.A OG ASN 50.A OD1 no hydrogen 2.883 N/A ASN 17.A N GLY 47.A O no hydrogen 2.380 N/A ASN 17.A ND2 VAL 77.A O no hydrogen 2.362 N/A ALA 18.A N GLY 47.A O no hydrogen 2.967 N/A THR 22.A N ARG 43.A O no hydrogen 2.997 N/A THR 22.A OG1 SER 100.A OG no hydrogen 2.750 N/A LEU 26.A N GLU 327.A O no hydrogen 3.174 N/A LYS 34.A N SER 31.A O no hydrogen 3.464 N/A LEU 36.A N LYS 33.A O no hydrogen 2.907 N/A GLN 37.A N LYS 33.A O no hydrogen 3.009 N/A GLN 37.A NE2 PRO 27.A O no hydrogen 2.434 N/A ASN 39.A N ASN 39.A OD1 no hydrogen 2.493 N/A ARG 43.A NH1 VAL 42.A O no hydrogen 2.403 N/A LEU 44.A N TRP 56.A O no hydrogen 2.940 N/A ALA 45.A N ALA 20.A O no hydrogen 2.824 N/A ILE 46.A N GLU 54.A O no hydrogen 2.860 N/A GLY 47.A N ALA 18.A O no hydrogen 2.865 N/A ARG 48.A N ASP 52.A O no hydrogen 2.850 N/A ARG 48.A NE GLU 54.A OE2 no hydrogen 2.608 N/A ARG 48.A NH1 SER 14.A O no hydrogen 3.445 N/A ARG 48.A NH1 ALA 341.A O no hydrogen 3.155 N/A ARG 48.A NH2 ALA 341.A O no hydrogen 3.023 N/A ALA 49.A N ALA 15.A O no hydrogen 2.680 N/A ASN 50.A N SER 14.A OG no hydrogen 2.668 N/A ASP 52.A N ARG 48.A O no hydrogen 2.981 N/A ILE 53.A N ILE 69.A O no hydrogen 2.941 N/A GLU 54.A N ILE 46.A O no hydrogen 2.835 N/A ILE 55.A N VAL 67.A O no hydrogen 2.896 N/A TRP 56.A N LEU 44.A O no hydrogen 2.875 N/A ASN 57.A N TYR 64.A O no hydrogen 2.852 N/A GLY 62.A N PRO 58.A O no hydrogen 2.604 N/A TRP 63.A N PRO 58.A O no hydrogen 2.707 N/A TRP 63.A NE1 GLY 677.A O no hydrogen 2.611 N/A TYR 64.A N ASN 57.A O no hydrogen 2.916 N/A GLN 65.A N GLN 364.A OE1 no hydrogen 3.308 N/A VAL 67.A N ILE 55.A O no hydrogen 3.049 N/A ILE 69.A N ILE 53.A O no hydrogen 2.890 N/A GLY 71.A N GLY 51.A O no hydrogen 2.853 N/A LYS 73.A N ALA 417.A O no hydrogen 3.080 N/A LYS 73.A NZ GLU 382.A O no hydrogen 2.704 N/A ARG 75.A NH1 LYS 73.A O no hydrogen 3.240 N/A SER 76.A OG ALA 49.A O no hydrogen 2.952 N/A SER 76.A OG VAL 77.A O no hydrogen 3.244 N/A VAL 77.A N SER 76.A OG no hydrogen 2.663 N/A ASP 78.A N ILE 105.A O no hydrogen 3.455 N/A VAL 81.A N PHE 103.A O no hydrogen 2.965 N/A VAL 83.A N ARG 101.A O no hydrogen 2.781 N/A THR 84.A OG1 THR 22.A O no hydrogen 3.090 N/A THR 84.A OG1 SER 100.A OG no hydrogen 2.634 N/A GLU 88.A N ILE 96.A O no hydrogen 2.560 N/A MET 90.A N LYS 94.A O no hydrogen 2.406 N/A GLY 93.A N MET 90.A O no hydrogen 3.049 N/A ILE 96.A N GLU 88.A O no hydrogen 2.690 N/A HIS 97.A ND1 ASP 87.A OD2 no hydrogen 2.673 N/A GLY 98.A N ASP 87.A OD1 no hydrogen 3.262 N/A SER 100.A OG THR 22.A OG1 no hydrogen 2.750 N/A SER 100.A OG THR 84.A OG1 no hydrogen 2.634 N/A ARG 101.A N VAL 83.A O no hydrogen 2.893 N/A ARG 101.A NE GLU 113.A OE2 no hydrogen 3.490 N/A ARG 101.A NH2 ASP 166.A O no hydrogen 2.834 N/A PHE 103.A N VAL 81.A O no hydrogen 2.938 N/A SER 104.A N THR 112.A O no hydrogen 2.840 N/A TYR 107.A OH ASP 78.A OD1 no hydrogen 2.406 N/A THR 108.A OG1 THR 110.A O no hydrogen 2.959 N/A THR 108.A OG1 THR 110.A OG1 no hydrogen 2.373 N/A THR 109.A OG1 GLY 127.A O no hydrogen 2.281 N/A THR 110.A N THR 108.A OG1 no hydrogen 3.074 N/A THR 110.A OG1 THR 108.A OG1 no hydrogen 2.373 N/A ILE 111.A N ALA 125.A O no hydrogen 2.887 N/A THR 112.A N SER 104.A O no hydrogen 2.932 N/A THR 112.A OG1 HIS 124.A ND1 no hydrogen 2.414 N/A TRP 114.A N LEU 102.A O no hydrogen 2.916 N/A ASP 115.A N ARG 120.A O no hydrogen 2.832 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.694 N/A ARG 120.A N ASP 115.A O no hydrogen 2.744 N/A ARG 120.A N ASP 115.A OD2 no hydrogen 3.103 N/A LYS 122.A N GLU 113.A O no hydrogen 2.677 N/A LYS 123.A N GLU 113.A O no hydrogen 2.931 N/A LYS 123.A NZ GLY 165.A O no hydrogen 2.692 N/A HIS 124.A ND1 THR 112.A OG1 no hydrogen 2.414 N/A ALA 125.A N ILE 111.A O no hydrogen 2.901 N/A GLY 127.A N THR 109.A O no hydrogen 3.386 N/A HIS 129.A ND1 GLY 130.A O no hydrogen 2.633 N/A ILE 132.A N THR 108.A O no hydrogen 3.333 N/A TRP 133.A N GLY 151.A O no hydrogen 2.525 N/A TRP 133.A NE1 GLU 131.A OE1 no hydrogen 2.738 N/A CYS 134.A N GLY 151.A O no hydrogen 2.977 N/A CYS 134.A SG GLY 151.A O no hydrogen 4.013 N/A GLY 136.A N VAL 149.A O no hydrogen 2.912 N/A GLN 138.A N LYS 147.A O no hydrogen 2.912 N/A GLN 138.A NE2 HIS 191.A O no hydrogen 2.437 N/A ARG 146.A NE GLN 138.A O no hydrogen 2.333 N/A ARG 146.A NH2 GLN 138.A O no hydrogen 2.998 N/A LYS 147.A NZ ASN 145.A O no hydrogen 2.712 N/A LYS 147.A NZ ASN 145.A OD1 no hydrogen 2.846 N/A LEU 148.A N TYR 160.A O no hydrogen 2.866 N/A VAL 149.A N GLY 136.A O no hydrogen 2.870 N/A ALA 150.A N VAL 158.A O no hydrogen 2.932 N/A GLY 151.A N CYS 134.A O no hydrogen 2.794 N/A THR 152.A OG1 GLU 131.A O no hydrogen 2.785 N/A THR 152.A OG1 ASP 154.A OD1 no hydrogen 3.189 N/A VAL 153.A N THR 152.A OG1 no hydrogen 2.385 N/A LEU 157.A N THR 174.A O no hydrogen 2.745 N/A VAL 158.A N ALA 150.A O no hydrogen 2.897 N/A TYR 160.A N LEU 148.A O no hydrogen 2.898 N/A TYR 160.A OH ALA 125.A O no hydrogen 2.901 N/A SER 161.A N LYS 168.A O no hydrogen 2.763 N/A ILE 162.A N ARG 146.A O no hydrogen 3.278 N/A ASP 166.A N GLU 163.A O no hydrogen 2.866 N/A LYS 168.A N SER 161.A O no hydrogen 3.489 N/A LYS 168.A NZ LEU 167.A O no hydrogen 2.754 N/A GLN 170.A N LEU 159.A O no hydrogen 2.371 N/A LYS 171.A N LEU 159.A O no hydrogen 3.047 N/A LEU 173.A N LEU 157.A O no hydrogen 2.810 N/A THR 174.A OG1 GLY 211.A O no hydrogen 2.466 N/A SER 178.A N THR 176.A OG1 no hydrogen 3.274 N/A LYS 180.A N SER 178.A OG no hydrogen 2.483 N/A LYS 182.A N SER 199.A OG no hydrogen 2.511 N/A LYS 182.A NZ LYS 180.A O no hydrogen 3.261 N/A PHE 183.A N THR 152.A O no hydrogen 2.784 N/A VAL 184.A N GLY 197.A O no hydrogen 3.022 N/A SER 185.A N GLY 197.A O no hydrogen 3.004 N/A ALA 187.A N ILE 195.A O no hydrogen 2.970 N/A GLN 189.A N ILE 193.A O no hydrogen 2.937 N/A SER 190.A N ILE 193.A O no hydrogen 3.315 N/A VAL 194.A N TYR 206.A O no hydrogen 2.897 N/A ILE 195.A N ALA 187.A O no hydrogen 2.946 N/A VAL 196.A N CYS 204.A O no hydrogen 2.984 N/A GLY 197.A N SER 185.A O no hydrogen 2.855 N/A CYS 198.A N THR 202.A O no hydrogen 2.832 N/A CYS 198.A SG VAL 196.A O no hydrogen 3.788 N/A SER 199.A N LYS 182.A O no hydrogen 2.675 N/A SER 199.A OG LYS 180.A O no hydrogen 3.560 N/A SER 201.A OG ILE 230.A O no hydrogen 3.187 N/A THR 202.A N CYS 198.A O no hydrogen 3.007 N/A ILE 203.A N MET 217.A O no hydrogen 2.878 N/A CYS 204.A N VAL 196.A O no hydrogen 2.917 N/A CYS 204.A SG THR 202.A OG1 no hydrogen 3.609 N/A ALA 205.A N ARG 215.A O no hydrogen 2.894 N/A TYR 206.A N VAL 194.A O no hydrogen 2.920 N/A ASP 207.A N THR 212.A O no hydrogen 2.881 N/A VAL 208.A N ASN 192.A O no hydrogen 2.890 N/A ARG 209.A N ASP 207.A OD2 no hydrogen 3.028 N/A ARG 209.A NE ASP 207.A OD2 no hydrogen 3.301 N/A THR 210.A OG1 THR 210.A O no hydrogen 2.515 N/A THR 212.A N ASP 207.A O no hydrogen 2.984 N/A ARG 215.A N ALA 205.A O no hydrogen 3.018 N/A MET 217.A N ILE 203.A O no hydrogen 2.861 N/A THR 218.A OG1 LEU 219.A O no hydrogen 3.369 N/A GLY 225.A N ASP 222.A O no hydrogen 3.151 N/A SER 227.A OG ASP 222.A OD2 no hydrogen 2.359 N/A SER 227.A OG GLY 226.A O no hydrogen 2.760 N/A ILE 230.A N SER 201.A OG no hydrogen 2.574 N/A ALA 234.A N GLY 246.A O no hydrogen 2.961 N/A VAL 235.A N SER 185.A OG no hydrogen 2.869 N/A LYS 236.A N VAL 244.A O no hydrogen 2.894 N/A LEU 238.A N ASP 242.A O no hydrogen 2.813 N/A GLY 241.A N LEU 238.A O no hydrogen 3.216 N/A ASP 242.A N ASN 240.A OD1 no hydrogen 3.381 N/A ILE 243.A N TRP 255.A O no hydrogen 2.705 N/A VAL 244.A N LYS 236.A O no hydrogen 2.967 N/A SER 245.A N CYS 253.A O no hydrogen 2.849 N/A GLY 246.A N ALA 234.A O no hydrogen 2.826 N/A THR 249.A OG1 ASP 247.A OD1 no hydrogen 3.057 N/A GLN 251.A N THR 249.A OG1 no hydrogen 3.348 N/A VAL 252.A N ILE 266.A O no hydrogen 2.901 N/A CYS 253.A N SER 245.A O no hydrogen 2.789 N/A CYS 253.A SG ILE 254.A O no hydrogen 3.970 N/A CYS 253.A SG GLN 262.A OE1 no hydrogen 3.223 N/A CYS 253.A SG GLN 264.A O no hydrogen 3.258 N/A ILE 254.A N GLN 264.A O no hydrogen 2.819 N/A TRP 255.A N ILE 243.A O no hydrogen 2.584 N/A ASP 256.A N THR 261.A O no hydrogen 2.818 N/A THR 259.A N ASP 256.A OD1 no hydrogen 2.963 N/A THR 259.A OG1 ASP 256.A OD1 no hydrogen 2.290 N/A THR 261.A N ASP 256.A O no hydrogen 2.951 N/A ALA 263.A N ILE 254.A O no hydrogen 2.809 N/A GLN 264.A N ILE 254.A O no hydrogen 3.089 N/A GLN 264.A NE2 ARG 265.A O no hydrogen 2.993 N/A ARG 265.A NE GLN 251.A OE1 no hydrogen 2.544 N/A ARG 265.A NH2 GLN 251.A OE1 no hydrogen 3.394 N/A ILE 266.A N VAL 252.A O no hydrogen 2.888 N/A SER 268.A OG TYR 297.A OH no hydrogen 2.514 N/A HIS 269.A N GLY 250.A O no hydrogen 3.229 N/A HIS 269.A ND1 ASP 291.A OD1 no hydrogen 3.083 N/A HIS 269.A NE2 SER 287.A OG no hydrogen 2.941 N/A GLN 271.A NE2 TYR 764.A O no hydrogen 2.588 N/A VAL 273.A N ASP 247.A O no hydrogen 3.179 N/A LEU 274.A N GLY 288.A O no hydrogen 3.059 N/A CYS 275.A N GLY 288.A O no hydrogen 2.970 N/A CYS 275.A SG GLY 288.A O no hydrogen 3.212 N/A CYS 275.A SG VAL 320.A O no hydrogen 3.224 N/A SER 277.A N ILE 286.A O no hydrogen 2.890 N/A SER 277.A OG LEU 276.A O no hydrogen 2.669 N/A SER 279.A N LYS 284.A O no hydrogen 2.907 N/A SER 279.A OG ASP 281.A OD1 no hydrogen 2.326 N/A SER 279.A OG SER 283.A OG no hydrogen 2.425 N/A GLY 282.A N SER 279.A O no hydrogen 2.668 N/A SER 283.A N SER 279.A OG no hydrogen 2.463 N/A SER 283.A OG SER 279.A OG no hydrogen 2.425 N/A SER 283.A OG ASP 281.A OD1 no hydrogen 2.483 N/A SER 283.A OG ASP 281.A OD2 no hydrogen 3.021 N/A LYS 284.A N SER 279.A OG no hydrogen 3.223 N/A ILE 285.A N TYR 297.A O no hydrogen 2.983 N/A ILE 286.A N SER 277.A O no hydrogen 2.865 N/A SER 287.A N ALA 295.A O no hydrogen 2.918 N/A SER 287.A OG HIS 269.A NE2 no hydrogen 2.941 N/A SER 287.A OG TYR 297.A OH no hydrogen 2.308 N/A GLY 288.A N CYS 275.A O no hydrogen 2.905 N/A GLY 289.A N ARG 293.A O no hydrogen 2.915 N/A ASP 291.A N ASP 291.A OD1 no hydrogen 2.401 N/A ARG 292.A NH2 HIS 316.A O no hydrogen 2.980 N/A ARG 293.A N GLY 289.A O no hydrogen 3.033 N/A THR 294.A N ARG 313.A O no hydrogen 2.880 N/A ALA 295.A N SER 287.A O no hydrogen 2.886 N/A VAL 296.A N PHE 311.A O no hydrogen 2.882 N/A TYR 297.A N ILE 285.A O no hydrogen 2.887 N/A TYR 297.A OH SER 268.A OG no hydrogen 2.514 N/A TYR 297.A OH SER 287.A OG no hydrogen 2.308 N/A GLU 298.A N SER 308.A O no hydrogen 2.877 N/A MET 300.A N ARG 306.A O no hydrogen 2.847 N/A GLN 303.A N GLN 303.A OE1 no hydrogen 2.705 N/A SER 308.A N GLU 298.A O no hydrogen 2.887 N/A SER 308.A OG LYS 309.A O no hydrogen 3.393 N/A VAL 310.A N VAL 296.A O no hydrogen 2.822 N/A PHE 311.A N VAL 296.A O no hydrogen 3.182 N/A ARG 313.A N THR 294.A O no hydrogen 2.899 N/A ARG 313.A NE ARG 314.A O no hydrogen 3.151 N/A HIS 316.A NE2 SER 336.A OG no hydrogen 2.431 N/A GLN 317.A N ASP 340.A OD2 no hydrogen 2.434 N/A GLN 317.A NE2 TYR 315.A O no hydrogen 3.678 N/A HIS 318.A N ASP 340.A OD2 no hydrogen 3.081 N/A LYS 321.A NZ ASN 17.A OD1 no hydrogen 2.408 N/A ALA 322.A N GLY 337.A O no hydrogen 2.939 N/A ALA 324.A N VAL 335.A O no hydrogen 2.919 N/A SER 325.A OG VAL 278.A O no hydrogen 3.537 N/A PHE 326.A N VAL 333.A O no hydrogen 2.862 N/A GLU 327.A N SER 24.A O no hydrogen 3.131 N/A GLY 328.A N MET 331.A O no hydrogen 3.079 N/A LYS 329.A NZ GLN 37.A O no hydrogen 3.409 N/A MET 331.A N GLY 328.A O no hydrogen 2.905 N/A VAL 333.A N PHE 326.A O no hydrogen 2.885 N/A VAL 334.A N LEU 346.A O no hydrogen 2.867 N/A VAL 335.A N ALA 324.A O no hydrogen 2.806 N/A SER 336.A N ILE 344.A O no hydrogen 2.881 N/A SER 336.A OG HIS 316.A NE2 no hydrogen 2.431 N/A SER 336.A OG ILE 344.A O no hydrogen 2.793 N/A GLY 337.A N ALA 322.A O no hydrogen 2.925 N/A ASP 340.A N ASP 340.A OD1 no hydrogen 2.349 N/A SER 342.A OG ASP 340.A O no hydrogen 3.178 N/A ILE 344.A N SER 336.A O no hydrogen 2.957 N/A VAL 345.A N ARG 357.A O no hydrogen 2.962 N/A LEU 346.A N VAL 334.A O no hydrogen 2.896 N/A LEU 348.A N SER 332.A O no hydrogen 2.802 N/A LEU 348.A N SER 332.A OG no hydrogen 3.021 N/A ARG 349.A N SER 332.A OG no hydrogen 2.557 N/A ARG 349.A NH1 GLY 330.A O no hydrogen 3.472 N/A LEU 351.A N LEU 348.A O no hydrogen 3.213 N/A LYS 353.A N ALA 350.A O no hydrogen 2.816 N/A GLU 354.A N ALA 350.A O no hydrogen 3.044 N/A PHE 355.A N SER 680.A O no hydrogen 2.718 N/A ARG 357.A N VAL 345.A O no hydrogen 2.955 N/A ARG 357.A NH1 GLY 61.A O no hydrogen 2.627 N/A ARG 357.A NH2 GLY 62.A O no hydrogen 2.886 N/A LEU 359.A N PRO 343.A O no hydrogen 2.870 N/A HIS 361.A NE2 ARG 753.A O no hydrogen 3.068 N/A GLN 364.A NE2 GLN 364.A O no hydrogen 3.539 N/A HIS 365.A ND1 THR 367.A OG1 no hydrogen 3.313 N/A THR 367.A N HIS 365.A ND1 no hydrogen 3.049 N/A THR 367.A OG1 HIS 365.A ND1 no hydrogen 3.313 N/A THR 367.A OG1 HIS 365.A O no hydrogen 3.019 N/A LEU 369.A N LEU 378.A O no hydrogen 2.925 N/A SER 370.A OG PRO 739.A O no hydrogen 3.213 N/A ALA 371.A N TYR 376.A O no hydrogen 2.877 N/A ARG 375.A N PRO 372.A O no hydrogen 3.178 N/A ARG 375.A NH1 GLU 741.A O no hydrogen 2.416 N/A ARG 375.A NH1 GLU 747.A OE1 no hydrogen 3.313 N/A TYR 376.A N ALA 371.A O no hydrogen 2.910 N/A ILE 377.A N TRP 388.A O no hydrogen 2.866 N/A LEU 378.A N LEU 369.A O no hydrogen 2.861 N/A SER 379.A N ARG 386.A O no hydrogen 2.984 N/A SER 379.A OG THR 367.A O no hydrogen 3.459 N/A SER 379.A OG LEU 378.A O no hydrogen 2.766 N/A TRP 380.A NE1 THR 421.A O no hydrogen 2.884 N/A TRP 381.A N GLU 384.A O no hydrogen 3.100 N/A TRP 381.A NE1 GLU 384.A OE2 no hydrogen 2.361 N/A ILE 385.A N VAL 412.A O no hydrogen 2.859 N/A ARG 386.A N SER 379.A O no hydrogen 2.898 N/A ILE 387.A N ALA 410.A O no hydrogen 2.892 N/A TRP 388.A N ILE 377.A O no hydrogen 2.963 N/A HIS 389.A ND1 ARG 375.A O no hydrogen 3.112 N/A LEU 390.A N ARG 375.A O no hydrogen 3.363 N/A LEU 398.A N ALA 394.A O no hydrogen 2.942 N/A ARG 403.A NH1 ARG 403.A O no hydrogen 3.449 N/A LYS 404.A NZ LEU 400.A O no hydrogen 3.552 N/A LYS 404.A NZ ASN 401.A OD1 no hydrogen 3.035 N/A ASN 405.A N ASN 401.A O no hydrogen 2.839 N/A ARG 406.A N LEU 402.A O no hydrogen 2.952 N/A LEU 409.A N ILE 387.A O no hydrogen 3.057 N/A ALA 410.A N ILE 387.A O no hydrogen 2.957 N/A GLN 411.A NE2 GLU 384.A OE1 no hydrogen 2.375 N/A VAL 412.A N ILE 385.A O no hydrogen 2.957 N/A ILE 414.A N ASN 383.A O no hydrogen 2.750 N/A LYS 415.A NZ LEU 413.A O no hydrogen 2.775 N/A THR 421.A OG1 SER 435.A O no hydrogen 2.640 N/A THR 421.A OG1 SER 435.A OG no hydrogen 2.381 N/A THR 421.A OG1 ALA 462.A O no hydrogen 3.201 N/A THR 421.A OG1 THR 463.A O no hydrogen 3.385 N/A SER 422.A N SER 435.A O no hydrogen 3.030 N/A SER 422.A N SER 435.A OG no hydrogen 2.750 N/A SER 424.A N ALA 433.A O no hydrogen 2.935 N/A SER 426.A N LEU 431.A O no hydrogen 2.907 N/A SER 426.A OG ASP 428.A OD1 no hydrogen 2.280 N/A GLY 429.A N SER 426.A O no hydrogen 3.085 N/A THR 430.A OG1 ASP 428.A OD1 no hydrogen 3.376 N/A THR 430.A OG1 ASP 428.A OD2 no hydrogen 3.119 N/A LEU 431.A N SER 426.A OG no hydrogen 3.355 N/A LEU 432.A N PHE 443.A O no hydrogen 2.891 N/A ALA 433.A N SER 424.A O no hydrogen 2.893 N/A ALA 434.A N LYS 441.A O no hydrogen 2.897 N/A SER 435.A N SER 422.A O no hydrogen 2.859 N/A SER 435.A OG THR 421.A OG1 no hydrogen 2.381 N/A SER 435.A OG SER 422.A O no hydrogen 3.088 N/A THR 436.A N ASP 439.A O no hydrogen 2.986 N/A THR 436.A OG1 THR 438.A OG1 no hydrogen 2.721 N/A THR 436.A OG1 ASP 439.A O no hydrogen 2.573 N/A THR 438.A N THR 436.A OG1 no hydrogen 3.088 N/A THR 438.A OG1 THR 436.A OG1 no hydrogen 2.721 N/A ASP 439.A N THR 436.A OG1 no hydrogen 2.744 N/A LYS 441.A N ALA 434.A O no hydrogen 2.949 N/A VAL 442.A N VAL 453.A O no hydrogen 3.127 N/A PHE 443.A N LEU 432.A O no hydrogen 2.847 N/A HIS 444.A N LYS 451.A O no hydrogen 2.875 N/A HIS 444.A ND1 THR 430.A O no hydrogen 2.735 N/A LEU 445.A N THR 430.A O no hydrogen 2.876 N/A ASP 446.A N TYR 449.A O no hydrogen 2.900 N/A TYR 449.A N ASP 446.A O no hydrogen 2.923 N/A LYS 451.A N HIS 444.A O no hydrogen 2.918 N/A THR 458.A OG1 ASP 439.A OD1 no hydrogen 3.436 N/A GLY 459.A N THR 458.A OG1 no hydrogen 2.519 N/A ALA 462.A N THR 436.A O no hydrogen 3.024 N/A THR 463.A N ALA 477.A O no hydrogen 2.331 N/A THR 463.A OG1 ALA 477.A O no hydrogen 2.539 N/A ARG 464.A N ALA 477.A O no hydrogen 3.048 N/A ARG 464.A NE SER 531.A O no hydrogen 2.940 N/A ARG 464.A NH1 SER 531.A O no hydrogen 2.669 N/A GLN 466.A N CYS 475.A O no hydrogen 2.900 N/A GLN 466.A NE2 ILE 467.A O no hydrogen 3.299 N/A ILE 467.A N SER 424.A OG no hydrogen 2.876 N/A SER 468.A N TRP 473.A O no hydrogen 2.877 N/A SER 468.A OG ASP 470.A OD1 no hydrogen 3.001 N/A SER 468.A OG TRP 473.A O no hydrogen 3.187 N/A LYS 471.A N SER 468.A O no hydrogen 2.994 N/A LYS 471.A NZ ASP 428.A OD1 no hydrogen 3.215 N/A LYS 471.A NZ ASP 428.A OD2 no hydrogen 2.473 N/A LYS 471.A NZ THR 430.A OG1 no hydrogen 2.382 N/A LYS 471.A NZ TYR 499.A OH no hydrogen 2.813 N/A ARG 472.A N SER 468.A OG no hydrogen 2.814 N/A ARG 472.A NH1 GLU 562.A OE2 no hydrogen 2.678 N/A ARG 472.A NH2 GLU 562.A OE2 no hydrogen 2.878 N/A TRP 473.A N SER 468.A OG no hydrogen 2.662 N/A ILE 474.A N SER 486.A O no hydrogen 2.938 N/A CYS 475.A N GLN 466.A O no hydrogen 2.943 N/A CYS 475.A SG MET 484.A O no hydrogen 3.465 N/A TRP 476.A N MET 484.A O no hydrogen 2.869 N/A ALA 477.A N ARG 464.A O no hydrogen 2.800 N/A GLU 478.A N LYS 482.A O no hydrogen 2.793 N/A LYS 482.A N GLU 478.A O no hydrogen 2.932 N/A LYS 482.A NZ GLU 479.A O no hydrogen 3.356 N/A MET 484.A N TRP 476.A O no hydrogen 2.936 N/A ILE 485.A N HIS 505.A O no hydrogen 2.897 N/A SER 486.A N ILE 474.A O no hydrogen 2.867 N/A SER 486.A OG ARG 487.A O no hydrogen 3.445 N/A SER 486.A OG SER 502.A O no hydrogen 2.727 N/A SER 486.A OG SER 502.A OG no hydrogen 3.071 N/A SER 486.A OG VAL 503.A O no hydrogen 2.722 N/A VAL 488.A N ARG 472.A O no hydrogen 2.847 N/A HIS 489.A N THR 500.A O no hydrogen 2.840 N/A HIS 489.A ND1 THR 500.A O no hydrogen 3.342 N/A THR 491.A N SER 498.A O no hydrogen 2.849 N/A SER 493.A N GLY 496.A O no hydrogen 2.876 N/A SER 493.A OG ASP 495.A OD1 no hydrogen 2.431 N/A SER 493.A OG GLY 496.A O no hydrogen 3.110 N/A GLY 496.A N SER 493.A O no hydrogen 2.926 N/A SER 498.A N THR 491.A O no hydrogen 2.898 N/A SER 498.A OG THR 491.A O no hydrogen 3.239 N/A THR 500.A N HIS 489.A O no hydrogen 2.934 N/A SER 502.A N ARG 487.A O no hydrogen 2.866 N/A SER 502.A OG SER 486.A OG no hydrogen 3.071 N/A SER 502.A OG ARG 487.A O no hydrogen 2.679 N/A HIS 505.A N ILE 485.A O no hydrogen 2.416 N/A ARG 509.A NH1 ARG 528.A O no hydrogen 2.863 N/A LEU 510.A N ASP 552.A OD2 no hydrogen 2.547 N/A ARG 512.A NH1 LEU 510.A O no hydrogen 3.073 N/A LEU 519.A N PRO 515.A O no hydrogen 2.883 N/A LEU 520.A N LYS 516.A O no hydrogen 2.893 N/A GLY 521.A N HIS 517.A O no hydrogen 2.878 N/A LEU 523.A N GLN 41.A OE1 no hydrogen 2.807 N/A GLY 524.A N GLY 521.A O no hydrogen 3.172 N/A TYR 526.A OH GLU 66.A OE1 no hydrogen 3.105 N/A ASN 529.A N TYR 526.A O no hydrogen 3.204 N/A ASN 529.A ND2 LEU 116.A O no hydrogen 3.433 N/A VAL 530.A N GLY 480.A O no hydrogen 2.696 N/A SER 531.A N ALA 545.A O no hydrogen 2.904 N/A SER 531.A OG GLN 532.A OE1 no hydrogen 2.262 N/A SER 531.A OG ALA 545.A O no hydrogen 3.443 N/A GLN 532.A N ALA 545.A O no hydrogen 3.033 N/A ALA 534.A N SER 543.A O no hydrogen 2.914 N/A SER 536.A N MET 541.A O no hydrogen 2.881 N/A SER 536.A OG ASP 538.A OD1 no hydrogen 2.282 N/A ASP 538.A N SER 536.A OG no hydrogen 3.282 N/A SER 539.A N SER 536.A O no hydrogen 3.093 N/A SER 539.A OG SER 539.A O no hydrogen 2.460 N/A ARG 540.A N SER 536.A OG no hydrogen 2.924 N/A LEU 542.A N TRP 554.A O no hydrogen 2.895 N/A SER 543.A N ALA 534.A O no hydrogen 2.891 N/A SER 543.A OG THR 553.A OG1 no hydrogen 3.120 N/A VAL 544.A N ASP 552.A O no hydrogen 2.939 N/A ALA 545.A N GLN 532.A O no hydrogen 2.864 N/A ASP 546.A N TYR 550.A O no hydrogen 3.377 N/A LEU 547.A N ASP 527.A O no hydrogen 3.036 N/A LEU 547.A N ASN 529.A O no hydrogen 3.349 N/A GLY 549.A N ASP 546.A OD1 no hydrogen 3.212 N/A ASP 552.A N VAL 544.A O no hydrogen 2.918 N/A THR 553.A OG1 LEU 542.A O no hydrogen 2.411 N/A THR 553.A OG1 SER 543.A OG no hydrogen 3.120 N/A TRP 554.A N LEU 542.A O no hydrogen 2.846 N/A VAL 555.A N ALA 565.A O no hydrogen 2.884 N/A LEU 556.A N ARG 540.A O no hydrogen 2.932 N/A ARG 557.A N ARG 563.A O no hydrogen 2.880 N/A ARG 563.A N ARG 557.A O no hydrogen 2.931 N/A ALA 565.A N VAL 555.A O no hydrogen 2.880 N/A ASN 567.A ND2 PRO 611.A O no hydrogen 3.281 N/A ALA 570.A N ASN 567.A O no hydrogen 3.162 N/A ILE 573.A N LYS 569.A O no hydrogen 2.910 N/A LYS 575.A NZ LEU 576.A O no hydrogen 3.452 N/A LEU 576.A N GLY 549.A O no hydrogen 2.995 N/A VAL 581.A N VAL 600.A O no hydrogen 2.736 N/A VAL 582.A N VAL 600.A O no hydrogen 3.006 N/A SER 584.A N LEU 598.A O no hydrogen 2.915 N/A SER 586.A N ASP 596.A O no hydrogen 2.896 N/A SER 586.A OG THR 588.A O no hydrogen 2.762 N/A THR 588.A OG1 GLY 646.A O no hydrogen 3.526 N/A ARG 590.A NE ASP 592.A OD1 no hydrogen 2.907 N/A ARG 590.A NH1 ASP 596.A OD1 no hydrogen 3.106 N/A ARG 590.A NH1 ASP 596.A OD2 no hydrogen 2.703 N/A ARG 590.A NH2 ASP 592.A OD2 no hydrogen 3.365 N/A ASP 592.A N ASP 592.A OD1 no hydrogen 2.426 N/A TYR 595.A N ASP 594.A OD1 no hydrogen 2.539 N/A TYR 595.A OH ASP 538.A OD1 no hydrogen 2.872 N/A TYR 595.A OH ASP 538.A OD2 no hydrogen 2.775 N/A LEU 597.A N PHE 609.A O no hydrogen 2.934 N/A LEU 598.A N SER 584.A O no hydrogen 2.904 N/A VAL 599.A N LEU 607.A O no hydrogen 2.872 N/A VAL 600.A N VAL 582.A O no hydrogen 2.861 N/A THR 601.A N GLN 605.A O no hydrogen 2.895 N/A THR 602.A N ALA 579.A O no hydrogen 2.908 N/A THR 602.A OG1 GLN 638.A OE1 no hydrogen 2.468 N/A LYS 604.A NZ THR 635.A OG1 no hydrogen 2.815 N/A LYS 604.A NZ ASP 637.A O no hydrogen 3.383 N/A GLN 605.A N THR 601.A O no hydrogen 2.970 N/A LEU 607.A N VAL 599.A O no hydrogen 2.897 N/A PHE 609.A N LEU 597.A O no hydrogen 2.824 N/A ASN 610.A N MET 615.A O no hydrogen 2.606 N/A ASN 610.A ND2 TYR 595.A O no hydrogen 3.126 N/A LEU 612.A N ASP 594.A OD1 no hydrogen 3.148 N/A ARG 613.A N ASP 594.A OD2 no hydrogen 3.172 N/A GLY 614.A N PRO 611.A O no hydrogen 2.872 N/A MET 615.A N ASN 610.A O no hydrogen 3.200 N/A SER 617.A N ILE 608.A O no hydrogen 2.744 N/A SER 617.A OG ASP 596.A OD1 no hydrogen 2.867 N/A SER 617.A OG ILE 608.A O no hydrogen 3.337 N/A GLU 618.A N GLU 618.A OE2 no hydrogen 2.764 N/A TRP 619.A NE1 GLN 664.A O no hydrogen 2.637 N/A SER 620.A OG ILE 608.A O no hydrogen 3.031 N/A SER 620.A OG SER 617.A O no hydrogen 2.279 N/A ARG 621.A N SER 617.A O no hydrogen 2.926 N/A ARG 622.A N GLU 618.A O no hydrogen 2.895 N/A ASN 623.A N TRP 619.A O no hydrogen 2.879 N/A ASN 623.A ND2 GLN 664.A O no hydrogen 3.326 N/A TYR 625.A OH LEU 603.A O no hydrogen 2.314 N/A LYS 627.A N THR 624.A OG1 no hydrogen 3.271 N/A LYS 627.A NZ ARG 622.A O no hydrogen 2.576 N/A LEU 628.A N TYR 625.A O no hydrogen 3.095 N/A PHE 632.A N PRO 629.A O no hydrogen 3.154 N/A ARG 633.A N PRO 629.A O no hydrogen 2.924 N/A ARG 633.A NE LEU 628.A O no hydrogen 2.741 N/A ARG 633.A NH1 LEU 628.A O no hydrogen 3.522 N/A THR 635.A OG1 ASP 637.A O no hydrogen 3.093 N/A ASP 637.A N THR 635.A OG1 no hydrogen 2.783 N/A GLY 641.A N TYR 652.A O no hydrogen 2.895 N/A VAL 643.A N TRP 650.A O no hydrogen 2.908 N/A TRP 644.A NE1 SER 584.A OG no hydrogen 2.530 N/A GLN 645.A N ARG 648.A O no hydrogen 2.773 N/A GLN 645.A NE2 PRO 744.A O no hydrogen 3.179 N/A ALA 649.A N PHE 660.A O no hydrogen 2.899 N/A TRP 650.A N VAL 643.A O no hydrogen 2.881 N/A TRP 650.A NE1 GLN 645.A OE1 no hydrogen 2.439 N/A PHE 651.A N PHE 658.A O no hydrogen 2.830 N/A TYR 652.A N GLY 641.A O no hydrogen 2.918 N/A VAL 654.A N ASP 637.A OD1 no hydrogen 3.068 N/A VAL 654.A N ASP 637.A OD2 no hydrogen 2.753 N/A ALA 655.A N ASP 637.A OD1 no hydrogen 2.796 N/A LEU 657.A N THR 728.A O no hydrogen 2.922 N/A PHE 658.A N PHE 651.A O no hydrogen 2.887 N/A MET 659.A N TRP 726.A O no hydrogen 2.860 N/A PHE 660.A N ALA 649.A O no hydrogen 2.910 N/A ASP 661.A N LYS 724.A O no hydrogen 2.918 N/A LEU 662.A N GLN 647.A O no hydrogen 2.866 N/A SER 663.A N ASP 661.A OD1 no hydrogen 3.332 N/A SER 663.A OG ASP 661.A OD1 no hydrogen 2.462 N/A GLN 664.A N ASP 661.A O no hydrogen 3.210 N/A PHE 666.A N ASN 623.A OD1 no hydrogen 3.170 N/A ARG 669.A NH2 ASP 634.A O no hydrogen 2.789 N/A SER 676.A N GLU 354.A OE1 no hydrogen 3.322 N/A SER 676.A N GLU 354.A OE2 no hydrogen 2.819 N/A SER 676.A OG GLU 354.A OE1 no hydrogen 2.428 N/A SER 680.A OG LYS 681.A O no hydrogen 3.335 N/A ILE 682.A N LYS 353.A O no hydrogen 3.169 N/A LYS 684.A NZ GLU 683.A OE2 no hydrogen 2.711 N/A GLY 700.A N ALA 697.A O no hydrogen 2.697 N/A THR 701.A N ASP 699.A OD1 no hydrogen 3.461 N/A THR 701.A OG1 ASP 699.A OD1 no hydrogen 3.121 N/A THR 701.A OG1 ASP 699.A OD2 no hydrogen 2.855 N/A LYS 702.A NZ ASP 699.A OD2 no hydrogen 3.398 N/A LYS 702.A NZ THR 701.A OG1 no hydrogen 2.877 N/A TRP 703.A NE1 GLY 700.A O no hydrogen 2.354 N/A GLU 704.A N ALA 694.A O no hydrogen 2.836 N/A ILE 706.A N ILE 692.A O no hydrogen 2.888 N/A GLU 707.A N GLU 707.A OE2 no hydrogen 2.791 N/A SER 712.A OG GLU 713.A OE2 no hydrogen 3.117 N/A GLU 713.A N GLU 713.A OE2 no hydrogen 2.746 N/A GLN 715.A N GLY 711.A O no hydrogen 2.883 N/A ARG 716.A N SER 712.A O no hydrogen 2.923 N/A LEU 717.A N GLU 713.A O no hydrogen 2.982 N/A ARG 718.A N LEU 714.A O no hydrogen 2.842 N/A GLU 719.A N GLN 715.A O no hydrogen 2.861 N/A GLU 719.A N ARG 716.A O no hydrogen 3.331 N/A GLU 720.A N ARG 716.A O no hydrogen 2.934 N/A ASN 721.A N LEU 717.A O no hydrogen 2.974 N/A TRP 726.A N MET 659.A O no hydrogen 2.907 N/A THR 728.A N LEU 657.A O no hydrogen 2.970 N/A TYR 729.A OH PRO 631.A O no hydrogen 3.244 N/A ARG 732.A NH1 TYR 729.A O no hydrogen 2.978 N/A ILE 734.A N VAL 654.A O no hydrogen 3.064 N/A MET 735.A N ILE 751.A O no hydrogen 2.937 N/A GLY 736.A N ILE 751.A O no hydrogen 2.966 N/A VAL 738.A N ALA 749.A O no hydrogen 2.949 N/A ILE 740.A N GLU 747.A O no hydrogen 2.846 N/A GLU 747.A N ILE 740.A O no hydrogen 3.001 N/A VAL 748.A N ASP 2.A O no hydrogen 2.875 N/A ALA 749.A N VAL 738.A O no hydrogen 2.870 N/A LEU 750.A N HIS 4.A O no hydrogen 2.878 N/A ILE 751.A N GLY 736.A O no hydrogen 2.835 N/A GLU 752.A N CYS 6.A O no hydrogen 2.911 N/A ARG 753.A N PRO 733.A O no hydrogen 3.066 N/A ARG 753.A NE TYR 11.A O no hydrogen 2.747 N/A ARG 753.A NH1 PRO 754.A O no hydrogen 3.378 N/A ARG 753.A NH2 TYR 11.A O no hydrogen 2.846 N/A ASP 758.A N SER 756.A OG no hydrogen 3.083 N/A LEU 760.A N SER 756.A O no hydrogen 2.877 N/A ARG 763.A NH1 MET 290.A O no hydrogen 2.392 N/A ALA 766.A N GLU 769.A OE2 no hydrogen 2.504 N/A GLU 769.A N GLU 769.A OE1 no hydrogen 2.620 N/A