Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6rxy_CI.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ALA 1.A O no hydrogen 2.930 N/A ARG 6.A N ARG 2.A O no hydrogen 2.871 N/A SER 7.A N GLN 3.A O no hydrogen 2.863 N/A SER 7.A OG GLN 3.A O no hydrogen 2.946 N/A SER 7.A OG ALA 4.A O no hydrogen 2.442 N/A HIS 8.A N ALA 4.A O no hydrogen 2.954 N/A ASP 9.A N ALA 5.A O no hydrogen 2.962 N/A ILE 10.A N ARG 6.A O no hydrogen 2.871 N/A LYS 11.A N SER 7.A O no hydrogen 2.896 N/A GLU 12.A N HIS 8.A O no hydrogen 2.912 N/A LYS 13.A N ASP 9.A O no hydrogen 2.959 N/A ARG 14.A N ILE 10.A O no hydrogen 2.874 N/A LEU 15.A N LYS 11.A O no hydrogen 2.876 N/A LEU 19.A N VAL 17.A O no hydrogen 3.020 N/A ARG 30.A N ARG 74.A O no hydrogen 2.978 N/A ARG 30.A NH1 LYS 191.A O no hydrogen 2.358 N/A VAL 32.A N THR 76.A O no hydrogen 2.851 N/A VAL 33.A N ILE 96.A O no hydrogen 2.842 N/A ILE 34.A N ILE 78.A O no hydrogen 2.868 N/A VAL 35.A N LEU 98.A O no hydrogen 2.951 N/A LYS 42.A NZ PRO 37.A O no hydrogen 3.263 N/A THR 44.A OG1 GLY 41.A O no hydrogen 2.301 N/A THR 44.A OG1 TYR 175.A OH no hydrogen 3.406 N/A LEU 45.A N GLY 41.A O no hydrogen 2.896 N/A LEU 46.A N LYS 42.A O no hydrogen 2.927 N/A LYS 47.A N THR 43.A O no hydrogen 2.989 N/A SER 48.A N THR 44.A O no hydrogen 2.901 N/A SER 48.A OG THR 44.A O no hydrogen 3.204 N/A SER 48.A OG LEU 45.A O no hydrogen 2.403 N/A LEU 49.A N LEU 45.A O no hydrogen 2.950 N/A VAL 50.A N LEU 46.A O no hydrogen 2.939 N/A ARG 51.A N LYS 47.A O no hydrogen 2.926 N/A ARG 52.A N SER 48.A O no hydrogen 2.907 N/A ARG 52.A NE SER 184.A OG no hydrogen 2.724 N/A ARG 52.A NH1 ARG 52.A O no hydrogen 3.022 N/A TYR 53.A N LEU 49.A O no hydrogen 2.928 N/A THR 54.A N VAL 50.A O no hydrogen 2.888 N/A THR 54.A OG1 VAL 50.A O no hydrogen 2.498 N/A THR 57.A OG1 THR 57.A O no hydrogen 2.390 N/A ASP 60.A N ASP 293.A OD2 no hydrogen 2.420 N/A ILE 65.A N PHE 77.A O no hydrogen 2.931 N/A THR 66.A N TRP 288.A O no hydrogen 2.826 N/A VAL 67.A N LEU 75.A O no hydrogen 2.841 N/A VAL 68.A N LYS 286.A O no hydrogen 3.437 N/A THR 69.A N GLN 73.A O no hydrogen 2.973 N/A SER 70.A N GLN 73.A O no hydrogen 2.402 N/A LYS 71.A NZ ARG 277.A O no hydrogen 2.398 N/A LYS 72.A N SER 70.A OG no hydrogen 2.826 N/A LEU 75.A N VAL 67.A O no hydrogen 2.871 N/A THR 76.A N ARG 30.A O no hydrogen 2.827 N/A THR 76.A OG1 ARG 30.A O no hydrogen 3.020 N/A PHE 77.A N ILE 65.A O no hydrogen 2.860 N/A ILE 78.A N VAL 32.A O no hydrogen 2.921 N/A CYS 80.A N ILE 34.A O no hydrogen 2.961 N/A CYS 80.A SG PRO 81.A O no hydrogen 3.153 N/A MET 87.A N GLU 83.A O no hydrogen 2.913 N/A ILE 88.A N LEU 84.A O no hydrogen 2.831 N/A ASP 89.A N GLU 85.A O no hydrogen 2.953 N/A MET 90.A N ALA 86.A O no hydrogen 2.987 N/A ALA 91.A N MET 87.A O no hydrogen 2.861 N/A LYS 92.A N ILE 88.A O no hydrogen 3.092 N/A VAL 93.A N ASP 89.A O no hydrogen 3.021 N/A ALA 94.A N ALA 91.A O no hydrogen 3.248 N/A ILE 96.A N LEU 31.A O no hydrogen 2.978 N/A VAL 97.A N ASN 126.A O no hydrogen 2.901 N/A LEU 98.A N VAL 33.A O no hydrogen 2.923 N/A LEU 99.A N PHE 128.A O no hydrogen 2.971 N/A MET 100.A N VAL 35.A O no hydrogen 2.892 N/A ILE 101.A N ILE 130.A O no hydrogen 2.829 N/A TYR 105.A N ASP 102.A O no hydrogen 2.834 N/A TYR 105.A N ASN 104.A OD1 no hydrogen 2.859 N/A GLY 106.A N ASP 102.A O no hydrogen 3.315 N/A GLY 106.A N GLY 103.A O no hydrogen 2.891 N/A GLU 108.A N THR 111.A OG1 no hydrogen 3.132 N/A THR 111.A OG1 GLU 108.A O no hydrogen 2.241 N/A MET 112.A N GLU 108.A O no hydrogen 3.074 N/A GLU 113.A N MET 109.A O no hydrogen 2.833 N/A PHE 114.A N GLU 110.A O no hydrogen 2.886 N/A LEU 115.A N THR 111.A O no hydrogen 2.919 N/A ASN 116.A N MET 112.A O no hydrogen 2.969 N/A ILE 117.A N GLU 113.A O no hydrogen 3.009 N/A LEU 118.A N PHE 114.A O no hydrogen 2.942 N/A ALA 119.A N LEU 115.A O no hydrogen 2.965 N/A ASN 120.A N ASN 116.A O no hydrogen 2.897 N/A ASN 120.A N ILE 117.A O no hydrogen 3.130 N/A ASN 120.A ND2 ASN 116.A O no hydrogen 2.339 N/A THR 121.A N ILE 117.A O no hydrogen 2.895 N/A GLY 122.A N LEU 118.A O no hydrogen 2.907 N/A ASN 126.A N ASP 95.A O no hydrogen 3.066 N/A PHE 128.A N VAL 97.A O no hydrogen 2.877 N/A GLY 129.A N HIS 163.A O no hydrogen 2.975 N/A ILE 130.A N LEU 99.A O no hydrogen 2.860 N/A LEU 131.A N PHE 165.A O no hydrogen 2.841 N/A THR 132.A N ILE 101.A O no hydrogen 2.990 N/A THR 132.A OG1 HIS 133.A ND1 no hydrogen 3.393 N/A HIS 133.A N THR 132.A OG1 no hydrogen 2.405 N/A ASP 135.A N SER 168.A O no hydrogen 2.788 N/A LEU 136.A N HIS 133.A O no hydrogen 3.097 N/A LEU 143.A N LYS 139.A O no hydrogen 2.896 N/A LYS 144.A N PRO 140.A O no hydrogen 2.843 N/A LYS 144.A NZ PRO 140.A O no hydrogen 2.781 N/A ASP 145.A N SER 141.A O no hydrogen 2.952 N/A ALA 146.A N ALA 142.A O no hydrogen 2.903 N/A LYS 147.A N LEU 143.A O no hydrogen 2.909 N/A LYS 148.A N LYS 144.A O no hydrogen 2.918 N/A ARG 149.A N ASP 145.A O no hydrogen 2.952 N/A LEU 150.A N ALA 146.A O no hydrogen 2.890 N/A LYS 151.A N LYS 147.A O no hydrogen 2.957 N/A HIS 152.A N LYS 148.A O no hydrogen 3.024 N/A HIS 152.A ND1 LYS 148.A O no hydrogen 2.460 N/A ARG 153.A N ARG 149.A O no hydrogen 2.931 N/A ARG 153.A NH2 ARG 153.A O no hydrogen 2.857 N/A LEU 154.A N LEU 150.A O no hydrogen 2.886 N/A TRP 155.A N LYS 151.A O no hydrogen 2.879 N/A THR 156.A N HIS 152.A O no hydrogen 3.007 N/A THR 156.A OG1 HIS 152.A O no hydrogen 2.872 N/A THR 156.A OG1 ARG 153.A O no hydrogen 2.469 N/A GLU 157.A N ARG 153.A O no hydrogen 2.899 N/A LEU 158.A N LEU 154.A O no hydrogen 2.953 N/A TYR 159.A OH GLY 161.A O no hydrogen 2.958 N/A PHE 165.A N GLY 129.A O no hydrogen 2.907 N/A LEU 167.A N LEU 131.A O no hydrogen 2.897 N/A TYR 175.A OH THR 44.A OG1 no hydrogen 3.406 N/A ILE 180.A N PRO 176.A O no hydrogen 2.937 N/A HIS 181.A N ASP 177.A O no hydrogen 2.799 N/A ASN 182.A N ARG 178.A O no hydrogen 2.941 N/A LEU 183.A N GLU 179.A O no hydrogen 2.953 N/A SER 184.A N ILE 180.A O no hydrogen 2.884 N/A SER 184.A OG ILE 180.A O no hydrogen 3.171 N/A SER 184.A OG HIS 181.A O no hydrogen 2.312 N/A ARG 185.A N HIS 181.A O no hydrogen 2.801 N/A PHE 186.A N ASN 182.A O no hydrogen 2.899 N/A LEU 187.A N LEU 183.A O no hydrogen 2.898 N/A SER 188.A N SER 184.A O no hydrogen 2.816 N/A SER 188.A OG SER 184.A O no hydrogen 2.350 N/A SER 188.A OG ARG 185.A O no hydrogen 2.858 N/A ARG 199.A NH1 VAL 93.A O no hydrogen 2.478 N/A ARG 199.A NH1 TYR 204.A OH no hydrogen 3.337 N/A ARG 199.A NH2 VAL 93.A O no hydrogen 2.712 N/A ASN 200.A N LEU 196.A O no hydrogen 2.872 N/A THR 201.A N VAL 197.A O no hydrogen 2.840 N/A HIS 202.A N ARG 199.A O no hydrogen 3.011 N/A THR 205.A N VAL 472.A O no hydrogen 2.903 N/A THR 205.A OG1 TYR 234.A O no hydrogen 3.077 N/A ILE 207.A N ILE 470.A O no hydrogen 2.929 N/A ASP 208.A N SER 232.A O no hydrogen 2.374 N/A ASN 209.A N SER 232.A O no hydrogen 2.918 N/A ASN 209.A ND2 PRO 290.A O no hydrogen 2.838 N/A ARG 211.A N GLU 230.A O no hydrogen 2.917 N/A ARG 211.A NE ASP 302.A OD1 no hydrogen 3.535 N/A ILE 213.A N THR 228.A O no hydrogen 2.753 N/A THR 214.A OG1 ASP 212.A OD1 no hydrogen 3.209 N/A THR 214.A OG1 ASP 212.A OD2 no hydrogen 2.908 N/A THR 214.A OG1 ILE 213.A O no hydrogen 2.706 N/A ILE 219.A N HIS 215.A O no hydrogen 2.921 N/A GLU 220.A N PRO 216.A O no hydrogen 2.844 N/A GLU 221.A N THR 217.A O no hydrogen 2.860 N/A ASP 222.A N LYS 218.A O no hydrogen 2.857 N/A CYS 225.A SG ASP 222.A O no hydrogen 3.160 N/A ARG 227.A N VAL 456.A O no hydrogen 2.783 N/A THR 228.A N ILE 213.A O no hydrogen 2.989 N/A THR 228.A OG1 ILE 213.A O no hydrogen 2.339 N/A ILE 229.A N ILE 453.A O no hydrogen 2.855 N/A GLU 230.A N ARG 211.A O no hydrogen 2.927 N/A LEU 231.A N LEU 451.A O no hydrogen 2.867 N/A SER 232.A N ASN 209.A O no hydrogen 2.848 N/A SER 232.A OG ASN 209.A O no hydrogen 3.478 N/A SER 232.A OG TYR 448.A OH no hydrogen 2.912 N/A GLY 233.A N ALA 449.A O no hydrogen 2.892 N/A LEU 235.A N LYS 447.A O no hydrogen 3.221 N/A ARG 236.A N TYR 204.A O no hydrogen 2.837 N/A ARG 236.A NE PRO 29.A O no hydrogen 2.951 N/A ARG 236.A NH2 PRO 29.A O no hydrogen 2.304 N/A GLY 237.A N TYR 204.A O no hydrogen 3.198 N/A THR 238.A N HIS 202.A O no hydrogen 3.408 N/A THR 238.A OG1 ASN 239.A OD1 no hydrogen 3.339 N/A ASN 239.A ND2 GLU 441.A O no hydrogen 2.403 N/A PHE 240.A N TYR 443.A O no hydrogen 2.805 N/A ALA 241.A N GLN 245.A OE1 no hydrogen 2.827 N/A GLY 244.A N GLN 243.A OE1 no hydrogen 2.583 N/A ARG 246.A NE PHE 255.A O no hydrogen 2.486 N/A VAL 247.A N PHE 255.A O no hydrogen 2.847 N/A HIS 248.A N GLY 473.A O no hydrogen 3.104 N/A ILE 249.A N GLY 253.A O no hydrogen 2.762 N/A ALA 250.A N LEU 471.A O no hydrogen 3.314 N/A VAL 252.A N ILE 249.A O no hydrogen 3.379 N/A GLY 253.A N ILE 249.A O no hydrogen 3.004 N/A PHE 255.A N VAL 247.A O no hydrogen 2.821 N/A THR 256.A OG1 GLN 245.A O no hydrogen 2.867 N/A ILE 257.A N GLN 245.A O no hydrogen 2.865 N/A SER 258.A N VAL 452.A O no hydrogen 2.876 N/A SER 258.A OG VAL 452.A O no hydrogen 2.403 N/A LYS 259.A N VAL 452.A O no hydrogen 2.994 N/A GLU 261.A N ARG 450.A O no hydrogen 2.767 N/A LEU 263.A N TYR 448.A O no hydrogen 2.863 N/A CYS 267.A SG THR 66.A O no hydrogen 3.944 N/A THR 269.A OG1 PRO 268.A O no hydrogen 2.608 N/A ALA 271.A N LYS 71.A O no hydrogen 3.357 N/A GLU 273.A N THR 269.A O no hydrogen 2.924 N/A LYS 274.A N PRO 270.A O no hydrogen 2.847 N/A LYS 274.A NZ PRO 270.A O no hydrogen 2.669 N/A LYS 274.A NZ GLU 273.A OE2 no hydrogen 3.484 N/A ALA 275.A N ALA 271.A O no hydrogen 2.891 N/A ASP 284.A N ASP 281.A O no hydrogen 3.035 N/A ASP 284.A N ASP 281.A OD2 no hydrogen 2.706 N/A LYS 285.A N ASP 281.A O no hydrogen 2.976 N/A LYS 285.A NZ VAL 68.A O no hydrogen 2.600 N/A LYS 286.A NZ GLU 273.A OE1 no hydrogen 3.495 N/A LYS 286.A NZ ASP 284.A O no hydrogen 2.458 N/A TRP 288.A N THR 66.A O no hydrogen 2.675 N/A ALA 292.A N ALA 289.A O no hydrogen 3.325 N/A ASP 293.A N ASP 293.A OD1 no hydrogen 2.416 N/A SER 295.A OG ARG 294.A O no hydrogen 2.574 N/A MET 297.A N ARG 294.A O no hydrogen 2.798 N/A LYS 298.A N VAL 305.A O no hydrogen 2.873 N/A LYS 298.A NZ ILE 299.A O no hydrogen 2.596 N/A SER 300.A N HIS 303.A O no hydrogen 2.780 N/A SER 300.A OG SER 300.A O no hydrogen 2.651 N/A SER 300.A OG HIS 303.A O no hydrogen 2.223 N/A HIS 303.A N SER 300.A O no hydrogen 3.004 N/A HIS 303.A ND1 SER 300.A OG no hydrogen 2.563 N/A VAL 305.A N LYS 298.A O no hydrogen 2.864 N/A THR 307.A OG1 GLY 296.A O no hydrogen 3.511 N/A ARG 308.A NE GLY 311.A O no hydrogen 2.484 N/A ARG 308.A NH2 PHE 312.A O no hydrogen 3.219 N/A THR 313.A OG1 PHE 312.A O no hydrogen 2.630 N/A THR 313.A OG1 GLU 326.A OE2 no hydrogen 3.368 N/A ASP 317.A N ASP 315.A O no hydrogen 2.723 N/A ARG 322.A NH1 GLU 321.A O no hydrogen 2.769 N/A GLN 327.A N GLY 323.A O no hydrogen 2.853 N/A GLN 327.A NE2 ASP 331.A OD1 no hydrogen 3.185 N/A LEU 328.A N GLU 324.A O no hydrogen 2.962 N/A VAL 330.A N GLU 326.A O no hydrogen 2.970 N/A ASP 331.A N GLN 327.A O no hydrogen 2.923 N/A LEU 332.A N LEU 328.A O no hydrogen 2.808 N/A GLN 333.A N ILE 329.A O no hydrogen 2.905 N/A GLY 334.A N VAL 330.A O no hydrogen 2.969 N/A GLU 335.A N ASP 331.A O no hydrogen 2.962 N/A LYS 344.A NZ ASP 343.A OD2 no hydrogen 3.362 N/A LEU 348.A N GLU 353.A O no hydrogen 3.175 N/A ALA 350.A N LEU 348.A O no hydrogen 2.465 N/A LEU 355.A N VAL 346.A O no hydrogen 3.025 N/A LEU 365.A N ARG 361.A O no hydrogen 2.933 N/A ALA 366.A N ALA 362.A O no hydrogen 2.872 N/A ARG 367.A N ILE 363.A O no hydrogen 2.925 N/A LEU 368.A N ASP 364.A O no hydrogen 2.904 N/A MET 369.A N LEU 365.A O no hydrogen 2.879 N/A THR 373.A OG1 ASP 371.A OD1 no hydrogen 2.938 N/A THR 373.A OG1 ASP 371.A OD2 no hydrogen 2.702 N/A THR 375.A N GLN 378.A OE1 no hydrogen 2.614 N/A ALA 379.A N THR 375.A O no hydrogen 2.892 N/A LEU 380.A N PRO 376.A O no hydrogen 2.886 N/A ARG 381.A N ALA 377.A O no hydrogen 2.902 N/A ARG 382.A N GLN 378.A O no hydrogen 2.840 N/A ARG 382.A NH2 GLY 385.A O no hydrogen 3.366 N/A TRP 383.A N ALA 379.A O no hydrogen 2.900 N/A TRP 383.A NE1 ARG 361.A O no hydrogen 2.304 N/A ARG 384.A N LEU 380.A O no hydrogen 2.924 N/A GLY 385.A N ARG 381.A O no hydrogen 2.839 N/A LEU 390.A N ASP 386.A O no hydrogen 2.932 N/A LYS 391.A N TYR 387.A O no hydrogen 2.806 N/A THR 392.A N GLU 388.A O no hydrogen 2.876 N/A THR 392.A OG1 GLU 388.A O no hydrogen 3.492 N/A THR 392.A OG1 GLU 389.A O no hydrogen 2.226 N/A LYS 393.A N GLU 389.A O no hydrogen 2.890 N/A TRP 394.A N LEU 390.A O no hydrogen 2.894 N/A SER 395.A N THR 392.A O no hydrogen 2.938 N/A SER 395.A OG LYS 391.A O no hydrogen 2.319 N/A SER 395.A OG THR 392.A O no hydrogen 2.922 N/A ASN 396.A N THR 392.A O no hydrogen 3.007 N/A GLU 398.A N GLU 398.A OE1 no hydrogen 2.594 N/A ASN 399.A ND2 LYS 393.A O no hydrogen 2.631 N/A ILE 400.A N ASN 396.A O no hydrogen 3.040 N/A ASP 401.A N PRO 397.A O no hydrogen 2.846 N/A ALA 402.A N GLU 398.A O no hydrogen 2.865 N/A LEU 403.A N ASN 399.A O no hydrogen 2.982 N/A ARG 404.A N ILE 400.A O no hydrogen 2.853 N/A ARG 405.A N ASP 401.A O no hydrogen 2.891 N/A THR 406.A N ALA 402.A O no hydrogen 2.917 N/A THR 406.A OG1 ALA 402.A O no hydrogen 2.620 N/A THR 406.A OG1 LEU 403.A O no hydrogen 3.281 N/A PHE 408.A N ARG 404.A O no hydrogen 3.124 N/A GLU 412.A N GLU 412.A OE1 no hydrogen 2.446 N/A MET 413.A N GLN 409.A O no hydrogen 2.939 N/A GLN 414.A N TRP 410.A O no hydrogen 2.948 N/A LYS 415.A N TYR 411.A O no hydrogen 2.941 N/A LYS 415.A NZ VAL 17.A O no hydrogen 3.397 N/A LYS 415.A NZ LEU 19.A O no hydrogen 3.400 N/A ALA 416.A N GLU 412.A O no hydrogen 2.868 N/A MET 417.A N MET 413.A O no hydrogen 2.891 N/A LEU 418.A N GLN 414.A O no hydrogen 2.941 N/A GLN 419.A N LYS 415.A O no hydrogen 2.861 N/A LYS 420.A N ALA 416.A O no hydrogen 2.816 N/A GLN 421.A N MET 417.A O no hydrogen 3.007 N/A LEU 422.A N LEU 418.A O no hydrogen 2.871 N/A ASP 423.A N GLN 419.A O no hydrogen 2.926 N/A ILE 424.A N LYS 420.A O no hydrogen 2.901 N/A ASN 425.A N GLN 421.A O no hydrogen 2.908 N/A ALA 427.A N ASP 423.A O no hydrogen 2.904 N/A GLU 428.A N ILE 424.A O no hydrogen 2.893 N/A GLU 431.A N GLN 436.A OE1 no hydrogen 2.975 N/A LEU 432.A N GLN 436.A OE1 no hydrogen 2.673 N/A ARG 437.A N LEU 432.A O no hydrogen 3.041 N/A ARG 438.A N ASP 433.A O no hydrogen 2.770 N/A ARG 438.A NH1 GLU 262.A OE1 no hydrogen 2.777 N/A GLN 439.A N GLU 434.A O no hydrogen 2.958 N/A GLN 439.A N HIS 435.A O no hydrogen 3.168 N/A VAL 440.A N HIS 435.A O no hydrogen 2.881 N/A GLU 441.A N GLN 436.A O no hydrogen 2.784 N/A TYR 443.A OH ILE 260.A O no hydrogen 3.011 N/A GLY 446.A N LEU 235.A O no hydrogen 2.939 N/A TYR 448.A OH SER 232.A OG no hydrogen 2.912 N/A ALA 449.A N GLY 233.A O no hydrogen 2.772 N/A ARG 450.A N GLU 261.A O no hydrogen 2.832 N/A LEU 451.A N LEU 231.A O no hydrogen 2.820 N/A VAL 452.A N LYS 259.A O no hydrogen 2.849 N/A ILE 453.A N ILE 229.A O no hydrogen 2.904 N/A GLY 455.A N ARG 227.A O no hydrogen 3.127 N/A VAL 456.A N ARG 227.A O no hydrogen 2.927 N/A ALA 458.A N CYS 225.A O no hydrogen 3.271 N/A CYS 461.A N PRO 457.A O no hydrogen 3.027 N/A CYS 461.A SG TYR 210.A OH no hydrogen 3.261 N/A CYS 461.A SG ASP 212.A OD1 no hydrogen 3.359 N/A LYS 462.A N ALA 458.A O no hydrogen 2.872 N/A ASN 463.A N GLU 459.A O no hydrogen 2.940 N/A ARG 467.A NE GLN 465.A OE1 no hydrogen 2.690 N/A ARG 467.A NH2 GLN 465.A OE1 no hydrogen 3.473 N/A VAL 472.A N THR 205.A O no hydrogen 2.942 N/A GLY 473.A N HIS 248.A O no hydrogen 3.106 N/A SER 476.A OG THR 478.A OG1 no hydrogen 2.193 N/A THR 478.A OG1 SER 476.A OG no hydrogen 2.193 N/A GLU 479.A N SER 476.A OG no hydrogen 2.621 N/A ARG 481.A N THR 478.A O no hydrogen 2.897 N/A ARG 481.A NH2 ALA 477.A O no hydrogen 3.401 N/A GLY 483.A N GLY 547.A O no hydrogen 3.074 N/A PHE 484.A N ASP 581.A O no hydrogen 2.922 N/A VAL 485.A N PHE 545.A O no hydrogen 2.896 N/A GLN 486.A N SER 579.A O no hydrogen 2.585 N/A VAL 487.A N GLY 543.A O no hydrogen 2.797 N/A ARG 488.A N THR 576.A O no hydrogen 3.125 N/A ILE 489.A N CYS 541.A O no hydrogen 2.977 N/A LYS 490.A N THR 574.A O no hydrogen 3.321 N/A HIS 492.A N ALA 572.A O no hydrogen 2.850 N/A TRP 494.A N HIS 492.A ND1 no hydrogen 3.339 N/A THR 501.A OG1 PRO 518.A O no hydrogen 2.911 N/A GLY 502.A N PRO 518.A O no hydrogen 2.885 N/A ASP 503.A N LYS 500.A O no hydrogen 3.203 N/A ILE 506.A N PHE 559.A O no hydrogen 2.909 N/A PHE 507.A N PHE 514.A O no hydrogen 2.878 N/A SER 508.A N CYS 557.A O no hydrogen 2.873 N/A SER 508.A OG CYS 557.A O no hydrogen 2.795 N/A ARG 512.A NH2 GLU 479.A O no hydrogen 2.332 N/A PHE 514.A N PHE 507.A O no hydrogen 3.077 N/A GLN 515.A N ASN 674.A O no hydrogen 2.644 N/A GLN 515.A NE2 SER 684.A OG no hydrogen 2.438 N/A GLN 515.A NE2 MET 685.A O no hydrogen 3.047 N/A THR 516.A N LEU 505.A O no hydrogen 2.844 N/A THR 516.A OG1 LEU 517.A O no hydrogen 3.044 N/A ILE 519.A N THR 544.A O no hydrogen 2.887 N/A SER 521.A N PHE 542.A O no hydrogen 2.405 N/A SER 521.A OG ILE 522.A O no hydrogen 2.360 N/A SER 521.A OG ASN 529.A OD1 no hydrogen 3.002 N/A SER 521.A OG ARG 530.A O no hydrogen 2.808 N/A ILE 522.A N ARG 530.A O no hydrogen 2.962 N/A ARG 526.A N TRP 523.A O no hydrogen 2.546 N/A ARG 530.A N ILE 522.A O no hydrogen 2.936 N/A MET 531.A N VAL 587.A O no hydrogen 2.608 N/A LEU 532.A N TYR 520.A O no hydrogen 2.410 N/A THR 535.A N LEU 499.A O no hydrogen 3.312 N/A THR 535.A OG1 LEU 499.A O no hydrogen 2.809 N/A MET 539.A N PRO 536.A O no hydrogen 2.967 N/A CYS 541.A N ILE 489.A O no hydrogen 2.902 N/A CYS 541.A SG ILE 489.A O no hydrogen 3.185 N/A PHE 542.A N SER 521.A O no hydrogen 2.693 N/A GLY 543.A N VAL 487.A O no hydrogen 2.887 N/A THR 544.A OG1 ILE 519.A O no hydrogen 2.657 N/A PHE 545.A N VAL 485.A O no hydrogen 2.979 N/A GLY 547.A N GLY 483.A O no hydrogen 3.031 N/A LEU 549.A N ARG 481.A O no hydrogen 3.252 N/A ASN 553.A N VAL 577.A O no hydrogen 3.361 N/A THR 554.A OG1 ALA 551.A O no hydrogen 2.665 N/A THR 554.A OG1 PRO 552.A O no hydrogen 3.506 N/A SER 555.A OG ASN 120.A O no hydrogen 3.482 N/A PHE 556.A N GLY 575.A O no hydrogen 2.920 N/A CYS 557.A N SER 508.A O no hydrogen 2.977 N/A CYS 557.A N SER 508.A OG no hydrogen 3.240 N/A CYS 557.A SG CYS 558.A O no hydrogen 3.889 N/A CYS 557.A SG ALA 573.A O no hydrogen 3.450 N/A CYS 558.A SG ILE 506.A O no hydrogen 3.212 N/A PHE 559.A N ILE 506.A O no hydrogen 2.889 N/A ASN 566.A N SER 563.A O no hydrogen 3.303 N/A ASN 566.A ND2 GLY 568.A O no hydrogen 2.562 N/A ARG 570.A N GLU 113.A OE2 no hydrogen 3.227 N/A ARG 570.A NE SER 563.A O no hydrogen 2.330 N/A ARG 570.A NH2 ALA 564.A O no hydrogen 3.148 N/A ALA 572.A N CYS 558.A O no hydrogen 2.769 N/A ALA 573.A N CYS 558.A O no hydrogen 2.915 N/A THR 574.A N LYS 490.A O no hydrogen 3.319 N/A THR 574.A OG1 ASN 120.A OD1 no hydrogen 2.658 N/A THR 574.A OG1 PHE 556.A O no hydrogen 2.867 N/A GLY 575.A N PHE 556.A O no hydrogen 3.043 N/A THR 576.A OG1 THR 554.A O no hydrogen 2.820 N/A THR 576.A OG1 VAL 577.A O no hydrogen 3.048 N/A VAL 577.A N THR 554.A O no hydrogen 2.896 N/A LEU 578.A N GLN 486.A O no hydrogen 3.099 N/A SER 579.A N GLN 486.A O no hydrogen 2.560 N/A SER 579.A OG GLN 486.A OE1 no hydrogen 2.828 N/A ASP 581.A N PHE 484.A O no hydrogen 2.850 N/A VAL 587.A N ASN 529.A O no hydrogen 3.138 N/A LYS 588.A N TYR 665.A O no hydrogen 2.847 N/A LEU 590.A N ALA 663.A O no hydrogen 2.944 N/A LEU 592.A N LEU 661.A O no hydrogen 2.958 N/A GLY 594.A N VAL 659.A O no hydrogen 2.803 N/A TRP 597.A N PHE 605.A O no hydrogen 3.321 N/A ALA 604.A N ALA 647.A O no hydrogen 2.898 N/A ILE 606.A N PHE 645.A O no hydrogen 2.950 N/A LYS 607.A N THR 595.A O no hydrogen 3.078 N/A MET 609.A N LYS 607.A O no hydrogen 2.680 N/A LEU 614.A N SER 612.A OG no hydrogen 2.468 N/A ILE 616.A N SER 612.A O no hydrogen 3.016 N/A ALA 617.A N SER 613.A O no hydrogen 2.859 N/A LYS 618.A N LEU 614.A O no hydrogen 2.942 N/A PHE 619.A N GLU 615.A O no hydrogen 2.987 N/A ALA 622.A N ILE 634.A O no hydrogen 3.120 N/A ILE 624.A N GLY 632.A O no hydrogen 2.934 N/A ARG 625.A N ILE 660.A O no hydrogen 3.174 N/A THR 626.A N ILE 630.A O no hydrogen 3.160 N/A VAL 627.A N ILE 658.A O no hydrogen 3.386 N/A GLY 629.A N THR 626.A O no hydrogen 2.985 N/A ARG 631.A N GLU 650.A OE1 no hydrogen 3.151 N/A GLN 633.A N THR 648.A O no hydrogen 2.990 N/A ILE 634.A N ALA 622.A O no hydrogen 2.888 N/A LYS 635.A N ARG 646.A O no hydrogen 3.022 N/A LEU 638.A N TYR 644.A O no hydrogen 2.686 N/A TYR 644.A N PRO 641.A O no hydrogen 3.255 N/A PHE 645.A N ILE 606.A O no hydrogen 3.015 N/A ARG 646.A N ARG 636.A O no hydrogen 2.786 N/A ALA 647.A N ALA 604.A O no hydrogen 3.032 N/A THR 648.A N GLN 633.A O no hydrogen 2.877 N/A LYS 652.A NZ ILE 599.A O no hydrogen 3.559 N/A LYS 652.A NZ PHE 600.A O no hydrogen 3.096 N/A LEU 654.A N ASP 657.A OD2 no hydrogen 2.655 N/A SER 656.A OG ASP 657.A OD1 no hydrogen 3.009 N/A ASP 657.A N LEU 654.A O no hydrogen 2.847 N/A VAL 659.A N GLY 594.A O no hydrogen 3.316 N/A ILE 660.A N ARG 625.A O no hydrogen 3.313 N/A LEU 661.A N LEU 592.A O no hydrogen 2.878 N/A ALA 663.A N LEU 590.A O no hydrogen 2.884 N/A TYR 665.A N LYS 588.A O no hydrogen 2.933 N/A VAL 667.A N ILE 586.A O no hydrogen 2.794 N/A ASN 674.A N GLN 515.A O no hydrogen 2.998 N/A ASN 674.A ND2 GLN 683.A O no hydrogen 2.483 N/A ALA 676.A N ARG 513.A O no hydrogen 2.961 N/A THR 677.A N PRO 675.A O no hydrogen 2.562 N/A THR 677.A OG1 GLY 251.A O no hydrogen 2.338 N/A THR 677.A OG1 VAL 252.A O no hydrogen 3.449 N/A LEU 679.A N GLY 251.A O no hydrogen 3.101 N/A GLY 681.A N ASN 678.A O no hydrogen 3.272 N/A SER 684.A OG MET 685.A O no hydrogen 3.272 N/A MET 685.A N GLN 515.A OE1 no hydrogen 2.635 N/A LEU 687.A N GLU 690.A OE2 no hydrogen 2.593 N/A ILE 691.A N LEU 687.A O no hydrogen 2.890 N/A ARG 692.A N THR 688.A O no hydrogen 2.849 N/A ARG 693.A N GLY 689.A O no hydrogen 2.974 N/A ALA 694.A N GLU 690.A O no hydrogen 2.822 N/A GLU 695.A N ILE 691.A O no hydrogen 2.866 N/A ILE 697.A N ARG 692.A O no hydrogen 2.648 N/A ASN 704.A N ASN 702.A OD1 no hydrogen 2.545 N/A SER 705.A N ASN 702.A O no hydrogen 3.062 N/A THR 706.A N ASN 702.A O no hydrogen 3.027 N/A THR 706.A OG1 TYR 707.A O no hydrogen 3.507 N/A ARG 708.A NH1 PRO 703.A O no hydrogen 2.978 N/A LEU 726.A N PRO 723.A O no hydrogen 3.004 N/A ALA 727.A N PRO 723.A O no hydrogen 3.041 N/A ALA 728.A N LYS 724.A O no hydrogen 2.961 N/A GLU 729.A N ASN 725.A O no hydrogen 2.904 N/A LEU 730.A N LEU 726.A O no hydrogen 3.170 N/A SER 734.A N PRO 731.A O no hydrogen 3.013 N/A SER 734.A OG PRO 731.A O no hydrogen 3.183 N/A GLN 735.A N PHE 732.A O no hydrogen 3.002 N/A GLN 735.A NE2 LEU 730.A O no hydrogen 3.511 N/A THR 746.A N GLN 749.A OE1 no hydrogen 3.176 N/A GLN 749.A N THR 746.A OG1 no hydrogen 3.263 N/A LYS 750.A N THR 746.A O no hydrogen 2.957 N/A ARG 751.A N MET 748.A O no hydrogen 3.052 N/A ALA 752.A N MET 748.A O no hydrogen 3.044 N/A ARG 760.A N GLY 756.A O no hydrogen 2.883 N/A LYS 761.A N ARG 757.A O no hydrogen 2.946 N/A LEU 762.A N GLU 758.A O no hydrogen 2.973 N/A ARG 763.A N GLU 759.A O no hydrogen 2.904 N/A ASP 764.A N ARG 760.A O no hydrogen 2.945 N/A LEU 765.A N LYS 761.A O no hydrogen 2.980 N/A MET 766.A N LEU 762.A O no hydrogen 2.902 N/A GLN 767.A N ARG 763.A O no hydrogen 2.758 N/A LYS 768.A N ASP 764.A O no hydrogen 3.014 N/A LYS 768.A NZ ASP 764.A O no hydrogen 3.508 N/A LEU 769.A N LEU 765.A O no hydrogen 2.947 N/A THR 770.A N MET 766.A O no hydrogen 2.986 N/A THR 770.A OG1 GLN 767.A O no hydrogen 2.922 N/A THR 771.A N GLN 767.A O no hydrogen 3.012 N/A THR 771.A OG1 LYS 768.A O no hydrogen 2.484 N/A ILE 772.A N LYS 768.A O no hydrogen 2.998 N/A ARG 773.A N LEU 769.A O no hydrogen 3.014 N/A LYS 774.A N THR 770.A O no hydrogen 2.903 N/A LYS 774.A NZ LYS 774.A O no hydrogen 3.274 N/A GLU 775.A N THR 771.A O no hydrogen 3.003 N/A LYS 776.A N ILE 772.A O no hydrogen 3.031 N/A ILE 777.A N ARG 773.A O no hydrogen 2.909 N/A ALA 778.A N LYS 774.A O no hydrogen 3.043 N/A LYS 779.A N GLU 775.A O no hydrogen 3.034 N/A ARG 780.A N LYS 776.A O no hydrogen 2.895 N/A LYS 781.A N ILE 777.A O no hydrogen 2.955 N/A ALA 782.A N ALA 778.A O no hydrogen 2.911 N/A LYS 783.A N LYS 779.A O no hydrogen 2.967 N/A LYS 784.A N ARG 780.A O no hydrogen 2.957 N/A GLU 785.A N LYS 781.A O no hydrogen 2.858 N/A ALA 786.A N ALA 782.A O no hydrogen 2.908 N/A GLN 787.A N LYS 783.A O no hydrogen 2.927 N/A ARG 788.A N LYS 784.A O no hydrogen 2.999 N/A GLU 789.A N GLU 785.A O no hydrogen 2.979 N/A LYS 790.A N ALA 786.A O no hydrogen 3.038 N/A LEU 791.A N GLN 787.A O no hydrogen 2.969 N/A LYS 792.A N ARG 788.A O no hydrogen 2.918 N/A LYS 793.A N GLU 789.A O no hydrogen 2.988 N/A GLU 794.A N LYS 790.A O no hydrogen 3.032 N/A LEU 795.A N LEU 791.A O no hydrogen 2.883 N/A ALA 796.A N LYS 792.A O no hydrogen 2.985 N/A GLU 797.A N LYS 793.A O no hydrogen 3.011 N/A ILE 798.A N GLU 794.A O no hydrogen 2.908 N/A GLU 799.A N LEU 795.A O no hydrogen 2.861 N/A GLU 800.A N ALA 796.A O no hydrogen 2.956 N/A ARG 801.A N GLU 797.A O no hydrogen 3.001 N/A ARG 802.A N ILE 798.A O no hydrogen 2.931 N/A ARG 802.A NH2 GLU 799.A OE1 no hydrogen 2.336 N/A ARG 803.A N GLU 799.A O no hydrogen 2.839 N/A ARG 803.A NE GLU 799.A OE2 no hydrogen 3.206 N/A GLU 804.A N GLU 800.A O no hydrogen 2.890 N/A LYS 805.A N ARG 801.A O no hydrogen 2.960 N/A GLN 806.A N ARG 802.A O no hydrogen 2.872 N/A LYS 807.A N ARG 803.A O no hydrogen 2.905 N/A LYS 808.A N GLU 804.A O no hydrogen 2.913 N/A GLU 809.A N LYS 805.A O no hydrogen 2.935 N/A LYS 810.A N GLN 806.A O no hydrogen 2.840 N/A LYS 811.A N LYS 807.A O no hydrogen 2.925 N/A GLU 812.A N LYS 808.A O no hydrogen 2.953 N/A PHE 813.A N GLU 809.A O no hydrogen 2.872 N/A TRP 814.A N LYS 810.A O no hydrogen 2.929 N/A GLU 815.A N LYS 811.A O no hydrogen 2.826 N/A ARG 816.A N GLU 812.A O no hydrogen 2.927 N/A GLU 817.A N PHE 813.A O no hydrogen 2.829 N/A GLY 818.A N TRP 814.A O no hydrogen 2.926 N/A LYS 820.A N ARG 816.A O no hydrogen 3.463 N/A LYS 820.A NZ ARG 816.A O no hydrogen 2.607 N/A ARG 821.A N GLU 817.A O no hydrogen 2.890 N/A ARG 821.A N GLY 818.A O no hydrogen 2.948 N/A LYS 822.A N LYS 819.A O no hydrogen 3.047 N/A