Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ul1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N GLU 126.A OE1 no hydrogen 2.974 N/A PRO 1.A N GLU 126.A OE2 no hydrogen 2.721 N/A ARG 3.A NE SER 5.A O no hydrogen 3.074 N/A ARG 3.A NE GLN 74.A OE1 no hydrogen 3.018 N/A ARG 3.A NH2 GLN 74.A OE1 no hydrogen 2.791 N/A SER 6.A OG ASN 671.A OD1 no hydrogen 3.029 N/A SER 6.A OG ASP 674.A OD2 no hydrogen 2.707 N/A GLU 8.A N HIS 13.A O no hydrogen 3.056 N/A LEU 9.A N ILE 12.A O no hydrogen 3.336 N/A TRP 10.A N PHE 94.A O no hydrogen 3.149 N/A ILE 12.A N LEU 9.A O no hydrogen 3.383 N/A HIS 13.A ND1 ASN 671.A OD1 no hydrogen 2.807 N/A HIS 13.A NE2 GLN 678.A OE1 no hydrogen 3.256 N/A MET 15.A N GLU 8.A OE1 no hydrogen 2.937 N/A ARG 18.A NH2 GLU 34.A OE1 no hydrogen 3.453 N/A ILE 19.A N CYS 35.A O no hydrogen 2.729 N/A VAL 21.A N LEU 33.A O no hydrogen 2.882 N/A GLU 22.A N PRO 96.A O no hydrogen 3.030 N/A CYS 23.A N VAL 31.A O no hydrogen 2.720 N/A LEU 24.A N LEU 98.A O no hydrogen 2.825 N/A LEU 25.A N MET 29.A O no hydrogen 2.760 N/A GLY 28.A N LEU 25.A O no hydrogen 3.201 N/A MET 29.A N ASN 27.A OD1 no hydrogen 3.241 N/A VAL 31.A N CYS 23.A O no hydrogen 2.802 N/A THR 32.A OG1 GLU 22.A OE2 no hydrogen 2.786 N/A LEU 33.A N VAL 21.A O no hydrogen 2.925 N/A CYS 35.A N ILE 19.A O no hydrogen 2.847 N/A CYS 35.A SG LEU 33.A O no hydrogen 3.802 N/A ARG 37.A N PRO 17.A O no hydrogen 2.871 N/A ARG 37.A NE GLU 8.A OE1 no hydrogen 3.272 N/A ARG 37.A NH1 ASP 700.A OD1 no hydrogen 2.910 N/A ARG 37.A NH2 GLU 8.A OE1 no hydrogen 3.243 N/A ARG 37.A NH2 GLU 8.A OE2 no hydrogen 2.950 N/A ARG 37.A NH2 ASP 700.A OD1 no hydrogen 3.500 N/A ARG 37.A NH2 ASP 700.A OD2 no hydrogen 3.093 N/A ALA 39.A N LEU 36.A O no hydrogen 2.914 N/A LEU 41.A N ARG 86.A O no hydrogen 2.870 N/A ILE 42.A N GLU 84.A O no hydrogen 3.177 N/A ILE 44.A N THR 40.A O no hydrogen 3.156 N/A LYS 45.A N LEU 41.A O no hydrogen 2.842 N/A LYS 45.A NZ GLU 64.A O no hydrogen 3.138 N/A LYS 45.A NZ TYR 67.A O no hydrogen 2.922 N/A LYS 45.A NZ GLU 84.A OE1 no hydrogen 3.012 N/A LYS 45.A NZ GLU 84.A OE2 no hydrogen 3.496 N/A HIS 46.A N ILE 42.A O no hydrogen 3.128 N/A HIS 46.A ND1 GLU 64.A OE2 no hydrogen 2.780 N/A GLU 47.A N THR 43.A O no hydrogen 2.812 N/A LEU 48.A N ILE 44.A O no hydrogen 2.980 N/A PHE 49.A N LYS 45.A O no hydrogen 2.977 N/A LYS 50.A N HIS 46.A O no hydrogen 3.243 N/A LYS 50.A NZ HIS 46.A NE2 no hydrogen 3.163 N/A GLU 51.A N GLU 47.A O no hydrogen 3.312 N/A ALA 52.A N LEU 48.A O no hydrogen 2.807 N/A ARG 53.A N LYS 50.A O no hydrogen 3.454 N/A LYS 54.A N GLU 51.A O no hydrogen 3.020 N/A LYS 54.A NZ GLU 51.A OE1 no hydrogen 2.986 N/A TYR 55.A N ALA 52.A O no hydrogen 3.385 N/A HIS 58.A ND1 TYR 55.A O no hydrogen 2.815 N/A LEU 60.A N LEU 57.A O no hydrogen 2.805 N/A LEU 61.A N HIS 58.A O no hydrogen 3.295 N/A GLN 62.A N TYR 67.A OH no hydrogen 3.025 N/A GLN 62.A NE2 GLU 102.A OE2 no hydrogen 3.558 N/A SER 66.A N ASP 63.A O no hydrogen 3.038 N/A TYR 67.A N GLU 64.A O no hydrogen 2.927 N/A ILE 68.A N ILE 101.A O no hydrogen 2.963 N/A VAL 70.A N LYS 99.A O no hydrogen 2.958 N/A SER 71.A N GLU 79.A O no hydrogen 2.980 N/A SER 71.A OG PHE 97.A O no hydrogen 2.952 N/A THR 73.A N GLU 77.A O no hydrogen 2.781 N/A THR 73.A OG1 GLU 77.A O no hydrogen 3.442 N/A GLN 74.A N ARG 92.A O no hydrogen 2.743 N/A GLN 74.A NE2 GLY 7.A O no hydrogen 2.804 N/A GLN 74.A NE2 LEU 93.A O no hydrogen 3.183 N/A ALA 76.A N THR 73.A O no hydrogen 2.949 N/A GLU 77.A N THR 73.A OG1 no hydrogen 3.376 N/A GLU 79.A N SER 71.A O no hydrogen 2.880 N/A PHE 81.A N PHE 69.A O no hydrogen 2.709 N/A GLU 84.A N PHE 82.A O no hydrogen 2.939 N/A THR 85.A OG1 ASP 83.A OD1 no hydrogen 2.741 N/A ARG 86.A N ASP 83.A O no hydrogen 2.999 N/A ARG 86.A NH1 GLU 79.A OE2 no hydrogen 2.988 N/A ARG 86.A NH2 ASP 90.A O no hydrogen 3.443 N/A ARG 87.A NH1 GLU 38.A O no hydrogen 3.311 N/A ARG 87.A NH2 ASP 703.A OD2 no hydrogen 3.125 N/A LEU 88.A N ALA 39.A O no hydrogen 3.107 N/A CYS 89.A SG ARG 37.A O no hydrogen 3.233 N/A ASP 90.A N ARG 87.A O no hydrogen 3.205 N/A LEU 91.A N LEU 88.A O no hydrogen 3.481 N/A ARG 92.A NH1 GLU 75.A OE2 no hydrogen 3.018 N/A PHE 94.A N VAL 72.A O no hydrogen 3.054 N/A PHE 97.A N GLN 95.A O no hydrogen 2.873 N/A LEU 98.A N GLU 22.A O no hydrogen 2.769 N/A LYS 99.A N VAL 70.A O no hydrogen 2.816 N/A VAL 100.A N LEU 24.A O no hydrogen 2.889 N/A ILE 101.A N ILE 68.A O no hydrogen 3.135 N/A GLU 109.A N ASN 106.A OD1 no hydrogen 3.246 N/A LYS 110.A N ASN 106.A O no hydrogen 2.970 N/A LYS 110.A NZ GLU 80.A OE1 no hydrogen 2.754 N/A LYS 110.A NZ GLU 80.A OE2 no hydrogen 3.270 N/A LYS 110.A NZ VAL 104.A O no hydrogen 2.708 N/A ILE 111.A N ARG 107.A O no hydrogen 2.972 N/A LEU 112.A N GLU 108.A O no hydrogen 3.282 N/A ASN 113.A N GLU 109.A O no hydrogen 3.071 N/A ARG 114.A N LYS 110.A O no hydrogen 3.108 N/A GLU 115.A N ILE 111.A O no hydrogen 3.119 N/A ILE 116.A N LEU 112.A O no hydrogen 2.788 N/A GLY 117.A N ASN 113.A O no hydrogen 3.001 N/A PHE 118.A N ARG 114.A O no hydrogen 2.917 N/A ALA 119.A N GLU 115.A O no hydrogen 3.176 N/A ILE 120.A N ILE 116.A O no hydrogen 2.966 N/A GLY 121.A N GLY 117.A O no hydrogen 2.860 N/A MET 122.A N GLY 117.A O no hydrogen 2.906 N/A GLU 126.A N PRO 123.A O no hydrogen 3.003 N/A PHE 127.A N VAL 124.A O no hydrogen 2.795 N/A VAL 130.A N PHE 127.A O no hydrogen 3.455 N/A GLU 134.A N ASP 132.A OD1 no hydrogen 3.150 N/A GLN 136.A N ASP 132.A O no hydrogen 3.234 N/A GLN 136.A NE2 PHE 127.A O no hydrogen 2.832 N/A GLN 136.A NE2 VAL 130.A O no hydrogen 2.766 N/A ASP 137.A N PRO 133.A O no hydrogen 2.744 N/A PHE 138.A N GLU 134.A O no hydrogen 2.748 N/A ARG 139.A N VAL 135.A O no hydrogen 3.135 N/A ARG 139.A NE GLU 646.A OE1 no hydrogen 3.046 N/A ARG 139.A NH1 ASP 128.A OD1 no hydrogen 2.991 N/A ARG 139.A NH1 GLN 136.A OE1 no hydrogen 3.518 N/A ARG 139.A NH2 GLU 646.A OE2 no hydrogen 2.785 N/A ARG 140.A N GLN 136.A O no hydrogen 3.181 N/A ASN 141.A N ASP 137.A O no hydrogen 2.764 N/A ILE 142.A N PHE 138.A O no hydrogen 3.017 N/A LEU 143.A N ARG 140.A O no hydrogen 3.110 N/A VAL 145.A N ILE 142.A O no hydrogen 3.108 N/A CYS 146.A SG ILE 142.A O no hydrogen 3.583 N/A CYS 146.A SG SER 647.A O no hydrogen 3.608 N/A LYS 147.A N LEU 143.A O no hydrogen 2.832 N/A GLU 148.A N ASN 144.A O no hydrogen 2.796 N/A ALA 149.A N VAL 145.A O no hydrogen 2.989 N/A VAL 150.A N CYS 146.A O no hydrogen 3.248 N/A ASP 151.A N LYS 147.A O no hydrogen 3.079 N/A LEU 152.A N GLU 148.A O no hydrogen 3.255 N/A ARG 153.A N ALA 149.A O no hydrogen 3.050 N/A ARG 153.A NE LEU 615.A O no hydrogen 3.383 N/A ARG 153.A NH1 ASP 292.A OD1 no hydrogen 2.805 N/A ARG 153.A NH1 ALA 651.A O no hydrogen 3.222 N/A ARG 153.A NH2 LEU 615.A O no hydrogen 2.845 N/A ARG 153.A NH2 ALA 651.A O no hydrogen 3.006 N/A ASP 154.A N ASP 151.A O no hydrogen 3.291 N/A SER 157.A OG ASP 154.A O no hydrogen 2.705 N/A HIS 159.A ND1 TYR 286.A OH no hydrogen 3.168 N/A SER 160.A N ASN 156.A O no hydrogen 2.940 N/A SER 160.A OG ARG 153.A O no hydrogen 2.860 N/A SER 160.A OG LEU 155.A O no hydrogen 2.789 N/A ARG 161.A NH2 LEU 289.A O no hydrogen 2.791 N/A MET 163.A N HIS 159.A O no hydrogen 2.912 N/A TYR 164.A N ARG 161.A O no hydrogen 3.152 N/A TYR 164.A OH CYS 652.A O no hydrogen 2.692 N/A VAL 165.A N ARG 161.A O no hydrogen 3.108 N/A TYR 166.A N ALA 162.A O no hydrogen 2.817 N/A GLU 171.A N GLN 261.A O no hydrogen 2.832 N/A SER 172.A OG THR 581.A OG1 no hydrogen 2.953 N/A SER 172.A OG ASP 583.A OD2 no hydrogen 2.730 N/A HIS 179.A NE2 GLN 782.A O no hydrogen 2.783 N/A ILE 180.A N PRO 177.A O no hydrogen 2.911 N/A TYR 181.A N PRO 177.A O no hydrogen 3.198 N/A ASN 182.A N LYS 178.A O no hydrogen 3.341 N/A LYS 183.A N ILE 180.A O no hydrogen 3.073 N/A LYS 183.A NZ ASP 787.A OD2 no hydrogen 3.343 N/A LEU 184.A N TYR 181.A O no hydrogen 3.052 N/A GLN 188.A N ASP 185.A O no hydrogen 3.073 N/A GLN 188.A NE2 LYS 209.A O no hydrogen 3.149 N/A ILE 189.A N ILE 210.A O no hydrogen 2.786 N/A VAL 191.A N LEU 208.A O no hydrogen 2.949 N/A VAL 192.A N PRO 275.A O no hydrogen 2.934 N/A TRP 194.A N LEU 277.A O no hydrogen 2.787 N/A TRP 194.A NE1 ASN 276.A OD1 no hydrogen 3.337 N/A VAL 195.A N GLN 204.A O no hydrogen 3.405 N/A TYR 206.A N ILE 193.A O no hydrogen 3.106 N/A LEU 208.A N VAL 191.A O no hydrogen 2.984 N/A LYS 209.A NZ ASP 185.A OD2 no hydrogen 3.064 N/A ILE 210.A N ILE 189.A O no hydrogen 2.942 N/A HIS 212.A ND1 GLY 187.A O no hydrogen 2.992 N/A CYS 214.A N ASN 211.A O no hydrogen 3.358 N/A CYS 214.A SG ASN 211.A O no hydrogen 3.356 N/A VAL 215.A N GLN 218.A OE1 no hydrogen 3.297 N/A GLN 218.A N VAL 215.A O no hydrogen 2.806 N/A VAL 219.A N VAL 215.A O no hydrogen 3.134 N/A ILE 220.A N PRO 216.A O no hydrogen 2.827 N/A ALA 221.A N GLU 217.A O no hydrogen 2.795 N/A GLU 222.A N GLN 218.A O no hydrogen 3.038 N/A ALA 223.A N ILE 220.A O no hydrogen 3.300 N/A ILE 224.A N ILE 220.A O no hydrogen 3.263 N/A ARG 225.A N ALA 221.A O no hydrogen 2.961 N/A LYS 226.A NZ THR 207.A O no hydrogen 3.068 N/A LYS 227.A N ALA 223.A O no hydrogen 3.281 N/A THR 228.A N ILE 224.A O no hydrogen 2.976 N/A GLN 230.A N GLN 230.A OE1 no hydrogen 2.852 N/A TYR 238.A N CYS 234.A O no hydrogen 3.251 N/A GLN 239.A N VAL 235.A O no hydrogen 3.241 N/A GLN 239.A NE2 GLU 217.A O no hydrogen 3.516 N/A GLY 240.A N GLU 237.A O no hydrogen 3.474 N/A LYS 241.A N TYR 238.A O no hydrogen 3.239 N/A ILE 243.A N MET 280.A O no hydrogen 2.752 N/A LYS 245.A N MET 278.A O no hydrogen 3.031 N/A LYS 245.A NZ VAL 246.A O no hydrogen 2.809 N/A LYS 245.A NZ CYS 249.A O no hydrogen 3.329 N/A LYS 245.A NZ ASP 744.A OD1 no hydrogen 3.540 N/A LYS 245.A NZ ASP 744.A OD2 no hydrogen 3.143 N/A VAL 246.A N GLU 251.A O no hydrogen 2.861 N/A CYS 247.A N ASN 276.A O no hydrogen 3.087 N/A ASP 250.A N ALA 715.A O no hydrogen 3.124 N/A PHE 253.A N LEU 244.A O no hydrogen 2.881 N/A LYS 256.A N GLU 255.A OE2 no hydrogen 3.006 N/A LEU 259.A N CYS 214.A O no hydrogen 3.015 N/A SER 260.A N HIS 212.A O no hydrogen 2.986 N/A GLN 261.A N PRO 258.A O no hydrogen 2.858 N/A GLN 261.A NE2 GLU 171.A O no hydrogen 3.105 N/A TYR 262.A N LEU 259.A O no hydrogen 3.084 N/A TYR 262.A OH GLU 255.A O no hydrogen 2.876 N/A LYS 263.A N ASN 169.A O no hydrogen 2.761 N/A LYS 263.A NZ ASP 583.A OD1 no hydrogen 2.780 N/A ARG 266.A N TYR 262.A O no hydrogen 2.790 N/A ARG 266.A NE SER 260.A O no hydrogen 2.917 N/A ARG 266.A NH2 SER 173.A O no hydrogen 2.708 N/A SER 267.A N LYS 263.A O no hydrogen 3.061 N/A SER 267.A OG LYS 263.A O no hydrogen 2.926 N/A SER 267.A OG TYR 264.A O no hydrogen 2.687 N/A CYS 268.A N TYR 264.A O no hydrogen 3.207 N/A CYS 268.A SG TYR 264.A O no hydrogen 3.226 N/A ILE 269.A N ILE 265.A O no hydrogen 2.984 N/A MET 270.A N ARG 266.A O no hydrogen 3.469 N/A LEU 271.A N SER 267.A O no hydrogen 2.919 N/A GLY 272.A N ILE 269.A O no hydrogen 3.414 N/A ARG 273.A N CYS 268.A O no hydrogen 2.804 N/A ASN 276.A N TYR 264.A OH no hydrogen 3.158 N/A LEU 277.A N VAL 192.A O no hydrogen 3.037 N/A MET 278.A N LYS 245.A O no hydrogen 2.750 N/A LEU 279.A N TRP 194.A O no hydrogen 2.905 N/A MET 280.A N ILE 243.A O no hydrogen 3.241 N/A SER 284.A OG ALA 281.A O no hydrogen 2.793 N/A LEU 285.A N LYS 282.A O no hydrogen 2.980 N/A TYR 286.A N LYS 282.A O no hydrogen 2.815 N/A SER 287.A OG GLU 283.A O no hydrogen 2.825 N/A GLN 288.A N LEU 285.A O no hydrogen 3.047 N/A LEU 289.A N LEU 285.A O no hydrogen 3.323 N/A SER 300.A N PRO 297.A O no hydrogen 2.919 N/A SER 300.A OG PRO 297.A O no hydrogen 2.660 N/A ARG 301.A N PRO 297.A O no hydrogen 3.321 N/A ARG 301.A N SER 298.A O no hydrogen 3.124 N/A ARG 302.A N TYR 299.A O no hydrogen 3.449 N/A ARG 302.A NH2 ASP 128.A OD1 no hydrogen 2.812 N/A LYS 305.A N VAL 463.A O no hydrogen 3.018 N/A TRP 308.A N SER 306.A OG no hydrogen 3.152 N/A VAL 309.A N SER 306.A O no hydrogen 3.472 N/A ILE 310.A N LEU 307.A O no hydrogen 3.358 N/A LEU 314.A N ILE 371.A O no hydrogen 2.929 N/A ARG 315.A NE ASP 458.A OD2 no hydrogen 3.354 N/A ILE 316.A N LEU 367.A O no hydrogen 3.090 N/A LYS 317.A N GLU 456.A O no hydrogen 2.810 N/A ILE 318.A N GLU 365.A O no hydrogen 2.889 N/A LEU 319.A N GLU 454.A O no hydrogen 2.830 N/A ALA 321.A N PRO 361.A O no hydrogen 2.899 N/A THR 322.A N CYS 452.A O no hydrogen 2.787 N/A ILE 331.A N ASN 327.A O no hydrogen 3.106 N/A ASP 332.A N VAL 389.A O no hydrogen 3.265 N/A LYS 333.A N VAL 389.A O no hydrogen 3.098 N/A ILE 334.A N VAL 356.A O no hydrogen 2.883 N/A TYR 335.A N CYS 387.A O no hydrogen 3.229 N/A TYR 335.A OH HIS 399.A ND1 no hydrogen 2.734 N/A VAL 336.A N THR 353.A OG1 no hydrogen 2.994 N/A ARG 337.A N SER 385.A O no hydrogen 3.057 N/A THR 338.A N VAL 351.A O no hydrogen 3.094 N/A THR 338.A OG1 VAL 351.A O no hydrogen 2.714 N/A THR 338.A OG1 TYR 369.A OH no hydrogen 2.756 N/A GLY 339.A N CYS 383.A O no hydrogen 2.742 N/A TYR 341.A N ARG 381.A O no hydrogen 2.966 N/A HIS 342.A N GLU 345.A O no hydrogen 3.003 N/A GLU 345.A N HIS 342.A O no hydrogen 3.389 N/A LEU 347.A N ILE 340.A O no hydrogen 2.695 N/A ASN 350.A ND2 TYR 341.A OH no hydrogen 3.095 N/A VAL 351.A N THR 338.A O no hydrogen 3.036 N/A THR 353.A N VAL 336.A O no hydrogen 3.173 N/A THR 353.A OG1 GLN 354.A O no hydrogen 3.239 N/A GLN 354.A N GLU 365.A OE1 no hydrogen 3.105 N/A ARG 355.A NH1 GLU 397.A OE2 no hydrogen 3.294 N/A ARG 355.A NH2 GLU 397.A OE2 no hydrogen 2.909 N/A VAL 356.A N ILE 334.A O no hydrogen 3.149 N/A SER 359.A OG ASN 360.A OD1 no hydrogen 2.870 N/A ASN 360.A N PRO 357.A O no hydrogen 2.772 N/A ARG 362.A N ASN 360.A O no hydrogen 3.015 N/A TRP 363.A N LEU 319.A O no hydrogen 2.889 N/A TRP 363.A NE1 GLN 354.A O no hydrogen 2.941 N/A ASN 364.A N LEU 319.A O no hydrogen 3.028 N/A GLU 365.A N ILE 318.A O no hydrogen 3.170 N/A LEU 367.A N ILE 316.A O no hydrogen 2.727 N/A TYR 369.A N LEU 314.A O no hydrogen 3.016 N/A TYR 369.A OH THR 338.A OG1 no hydrogen 2.756 N/A TYR 372.A OH ASN 311.A OD1 no hydrogen 2.722 N/A ILE 373.A N SER 312.A O no hydrogen 2.902 N/A ASP 375.A N TYR 372.A O no hydrogen 2.980 N/A LEU 376.A N ILE 373.A O no hydrogen 3.049 N/A ARG 378.A NE ASP 414.A OD1 no hydrogen 3.056 N/A ARG 378.A NH1 ARG 378.A O no hydrogen 2.821 N/A ARG 378.A NH1 TYR 601.A OH no hydrogen 2.755 N/A ARG 378.A NH2 ASP 411.A O no hydrogen 3.280 N/A ARG 378.A NH2 ASP 414.A OD1 no hydrogen 3.320 N/A ARG 378.A NH2 TYR 601.A OH no hydrogen 3.019 N/A ALA 380.A N PRO 377.A O no hydrogen 2.850 N/A ARG 381.A N TYR 341.A O no hydrogen 2.958 N/A ARG 381.A NH1 PRO 438.A O no hydrogen 3.200 N/A ARG 381.A NH2 PRO 438.A O no hydrogen 2.831 N/A LEU 382.A N ILE 407.A O no hydrogen 2.912 N/A CYS 383.A N GLY 339.A O no hydrogen 2.777 N/A CYS 383.A SG ASN 406.A OD1 no hydrogen 3.677 N/A LEU 384.A N GLY 405.A O no hydrogen 3.156 N/A SER 385.A N ARG 337.A O no hydrogen 2.955 N/A SER 385.A OG LEU 435.A O no hydrogen 2.678 N/A ILE 386.A N ALA 403.A O no hydrogen 2.805 N/A CYS 387.A N TYR 335.A O no hydrogen 3.017 N/A CYS 387.A SG SER 385.A OG no hydrogen 3.404 N/A SER 388.A N CYS 400.A O no hydrogen 2.855 N/A SER 388.A OG CYS 400.A O no hydrogen 3.183 N/A VAL 389.A N LYS 333.A O no hydrogen 3.012 N/A LYS 390.A N GLU 398.A O no hydrogen 3.323 N/A GLY 391.A N ASP 332.A OD2 no hydrogen 3.403 N/A GLU 398.A N LYS 390.A O no hydrogen 2.876 N/A HIS 399.A ND1 TYR 335.A OH no hydrogen 2.734 N/A CYS 400.A N SER 388.A O no hydrogen 3.146 N/A CYS 400.A SG PRO 401.A O no hydrogen 3.528 N/A LEU 402.A N ILE 386.A O no hydrogen 2.707 N/A TRP 404.A N TRP 426.A O no hydrogen 3.169 N/A TRP 404.A NE1 PRO 427.A O no hydrogen 2.844 N/A GLY 405.A N LEU 384.A O no hydrogen 3.131 N/A ASN 406.A ND2 ASN 437.A O no hydrogen 3.076 N/A ASN 406.A ND2 GLY 440.A O no hydrogen 3.011 N/A ASN 406.A ND2 VAL 441.A O no hydrogen 3.550 N/A ILE 407.A N LEU 382.A O no hydrogen 3.065 N/A ASN 408.A ND2 GLN 600.A O no hydrogen 3.190 N/A LEU 409.A N ALA 380.A O no hydrogen 3.097 N/A ASP 411.A N THR 415.A O no hydrogen 2.800 N/A THR 413.A N ASP 411.A OD1 no hydrogen 2.889 N/A THR 413.A OG1 ASP 411.A OD1 no hydrogen 2.716 N/A THR 413.A OG1 ASP 411.A OD2 no hydrogen 2.960 N/A THR 413.A OG1 THR 415.A OG1 no hydrogen 3.112 N/A THR 415.A N ASP 411.A OD1 no hydrogen 2.867 N/A THR 415.A OG1 ASP 411.A OD1 no hydrogen 3.134 N/A THR 415.A OG1 ASP 411.A OD2 no hydrogen 3.407 N/A THR 415.A OG1 THR 413.A O no hydrogen 3.270 N/A THR 415.A OG1 THR 413.A OG1 no hydrogen 3.112 N/A LEU 416.A N VAL 464.A O no hydrogen 2.825 N/A VAL 417.A N LEU 409.A O no hydrogen 2.845 N/A GLY 419.A N PHE 457.A O no hydrogen 2.913 N/A MET 421.A N LEU 455.A O no hydrogen 2.780 N/A LEU 423.A N LEU 453.A O no hydrogen 2.862 N/A ASN 424.A ND2 THR 450.A O no hydrogen 3.313 N/A ASN 424.A ND2 THR 450.A OG1 no hydrogen 3.366 N/A LEU 425.A N PRO 451.A O no hydrogen 3.000 N/A TRP 426.A N TRP 404.A O no hydrogen 2.765 N/A TRP 426.A NE1 GLY 443.A O no hydrogen 3.218 N/A LEU 432.A N PRO 429.A O no hydrogen 2.974 N/A GLY 440.A N ASN 437.A O no hydrogen 2.968 N/A GLY 443.A N ASN 406.A O no hydrogen 2.884 N/A SER 444.A OG ALA 422.A O no hydrogen 3.366 N/A ASN 445.A N ASN 424.A O no hydrogen 2.760 N/A ASN 445.A ND2 LEU 425.A O no hydrogen 3.235 N/A ASN 447.A N ASN 445.A OD1 no hydrogen 2.958 N/A LYS 448.A NZ ASN 424.A OD1 no hydrogen 3.111 N/A LYS 448.A NZ ASN 445.A O no hydrogen 2.935 N/A GLU 449.A N ASN 447.A OD1 no hydrogen 2.939 N/A THR 450.A OG1 ASN 447.A O no hydrogen 2.828 N/A CYS 452.A N THR 322.A OG1 no hydrogen 2.843 N/A CYS 452.A SG LEU 423.A O no hydrogen 3.915 N/A CYS 452.A SG LEU 453.A O no hydrogen 4.046 N/A CYS 452.A SG GLU 454.A OE2 no hydrogen 3.744 N/A LEU 453.A N LEU 423.A O no hydrogen 2.845 N/A GLU 454.A N CYS 320.A O no hydrogen 2.745 N/A LEU 455.A N MET 421.A O no hydrogen 2.789 N/A GLU 456.A N LYS 317.A O no hydrogen 2.855 N/A PHE 457.A N GLY 419.A O no hydrogen 2.924 N/A TRP 459.A N ASP 458.A OD1 no hydrogen 2.950 N/A SER 461.A OG PHE 460.A O no hydrogen 2.719 N/A SER 462.A OG PHE 460.A O no hydrogen 3.441 N/A LYS 465.A N LYS 305.A O no hydrogen 3.099 N/A LYS 465.A NZ THR 413.A O no hydrogen 3.245 N/A PHE 466.A N ASP 414.A O no hydrogen 2.832 N/A SER 470.A N ASP 468.A OD2 no hydrogen 3.231 N/A SER 470.A OG ASP 468.A OD2 no hydrogen 3.020 N/A VAL 471.A N ASP 468.A O no hydrogen 2.974 N/A ILE 472.A N ASP 468.A O no hydrogen 3.227 N/A GLU 473.A N MET 469.A O no hydrogen 2.882 N/A GLU 474.A N SER 470.A O no hydrogen 3.092 N/A HIS 475.A N VAL 471.A O no hydrogen 3.182 N/A HIS 475.A NE2 ASP 535.A OD2 no hydrogen 3.221 N/A ALA 476.A N ILE 472.A O no hydrogen 3.244 N/A ASN 477.A N GLU 474.A O no hydrogen 3.068 N/A TRP 478.A N GLU 474.A O no hydrogen 3.088 N/A SER 479.A N HIS 475.A O no hydrogen 2.811 N/A SER 479.A OG HIS 475.A O no hydrogen 3.294 N/A LYS 485.A N ARG 481.A O no hydrogen 3.138 N/A GLU 486.A N GLU 482.A O no hydrogen 3.282 N/A GLN 487.A N ASN 483.A O no hydrogen 3.273 N/A LEU 488.A N ASP 484.A O no hydrogen 3.094 N/A LYS 489.A N LYS 485.A O no hydrogen 3.342 N/A ALA 490.A N GLU 486.A O no hydrogen 3.005 N/A ILE 491.A N GLN 487.A O no hydrogen 3.012 N/A SER 492.A N LEU 488.A O no hydrogen 3.268 N/A SER 492.A OG LYS 489.A O no hydrogen 2.807 N/A THR 493.A OG1 LYS 489.A O no hydrogen 3.525 N/A THR 493.A OG1 ALA 490.A O no hydrogen 3.009 N/A ARG 494.A N ILE 491.A O no hydrogen 3.038 N/A ARG 494.A NH2 GLU 504.A OE1 no hydrogen 2.952 N/A LEU 497.A N ASP 495.A OD1 no hydrogen 3.145 N/A SER 498.A N ASP 495.A O no hydrogen 3.372 N/A SER 498.A OG ASP 495.A O no hydrogen 3.291 N/A THR 501.A N GLU 504.A OE1 no hydrogen 3.456 N/A GLN 503.A N GLN 503.A OE1 no hydrogen 3.034 N/A GLU 504.A N THR 501.A OG1 no hydrogen 3.076 N/A LYS 505.A N THR 501.A O no hydrogen 2.797 N/A ASP 506.A N GLU 502.A O no hydrogen 2.930 N/A PHE 507.A N GLN 503.A O no hydrogen 3.062 N/A LEU 508.A N GLU 504.A O no hydrogen 3.118 N/A TRP 509.A N LYS 505.A O no hydrogen 2.821 N/A SER 510.A N ASP 506.A O no hydrogen 2.928 N/A HIS 511.A N PHE 507.A O no hydrogen 3.019 N/A HIS 511.A ND1 PHE 507.A O no hydrogen 2.798 N/A ARG 512.A N TRP 509.A O no hydrogen 3.253 N/A ARG 512.A NE GLN 539.A OE1 no hydrogen 3.201 N/A ARG 512.A NH1 TRP 509.A O no hydrogen 2.839 N/A ARG 512.A NH2 GLN 539.A OE1 no hydrogen 2.808 N/A TYR 514.A N HIS 511.A O no hydrogen 3.152 N/A CYS 515.A N HIS 511.A O no hydrogen 3.385 N/A CYS 515.A SG HIS 511.A O no hydrogen 3.285 N/A THR 517.A N TYR 514.A O no hydrogen 3.065 N/A THR 517.A OG1 TYR 514.A O no hydrogen 2.833 N/A GLU 520.A N GLU 520.A OE1 no hydrogen 3.156 N/A LEU 522.A N PRO 519.A O no hydrogen 3.162 N/A LEU 525.A N ILE 521.A O no hydrogen 3.106 N/A LEU 526.A N LEU 522.A O no hydrogen 2.803 N/A LEU 527.A N PRO 523.A O no hydrogen 3.107 N/A LEU 527.A N LYS 524.A O no hydrogen 3.155 N/A SER 528.A N LEU 525.A O no hydrogen 2.892 N/A SER 528.A OG LYS 524.A O no hydrogen 3.070 N/A LYS 530.A N GLU 536.A OE1 no hydrogen 3.322 N/A TRP 531.A NE1 LEU 526.A O no hydrogen 3.134 N/A ASN 532.A ND2 LEU 347.A O no hydrogen 3.043 N/A ARG 534.A N ASP 375.A OD1 no hydrogen 2.916 N/A ARG 534.A NH1 ASP 375.A OD1 no hydrogen 3.222 N/A VAL 537.A N SER 533.A O no hydrogen 3.416 N/A ALA 538.A N ARG 534.A O no hydrogen 2.978 N/A GLN 539.A NE2 ASP 535.A O no hydrogen 3.515 N/A MET 540.A N GLU 536.A O no hydrogen 2.992 N/A TYR 541.A N VAL 537.A O no hydrogen 2.983 N/A TYR 541.A OH ASP 565.A OD1 no hydrogen 2.629 N/A TYR 541.A OH ASP 565.A OD2 no hydrogen 3.188 N/A CYS 542.A SG GLU 473.A O no hydrogen 4.018 N/A CYS 542.A SG ALA 538.A O no hydrogen 3.464 N/A LEU 543.A N GLN 539.A O no hydrogen 3.290 N/A VAL 544.A N MET 540.A O no hydrogen 2.961 N/A LYS 545.A N TYR 541.A O no hydrogen 2.949 N/A LYS 545.A NZ GLU 473.A OE2 no hydrogen 3.452 N/A TRP 547.A N VAL 544.A O no hydrogen 2.949 N/A TRP 547.A NE1 PRO 519.A O no hydrogen 3.266 N/A GLU 553.A N GLU 553.A OE1 no hydrogen 2.992 N/A GLN 554.A N LYS 551.A O no hydrogen 2.933 N/A ALA 555.A N LYS 551.A O no hydrogen 2.882 N/A MET 556.A N PRO 552.A O no hydrogen 2.881 N/A LEU 558.A N ALA 555.A O no hydrogen 2.878 N/A LEU 559.A N MET 556.A O no hydrogen 2.842 N/A ASP 560.A N GLU 557.A O no hydrogen 3.400 N/A ASN 562.A N ASP 560.A OD1 no hydrogen 3.037 N/A TYR 563.A N ASP 560.A O no hydrogen 3.476 N/A TYR 563.A OH PRO 523.A O no hydrogen 3.233 N/A MET 567.A N ASP 565.A OD2 no hydrogen 2.964 N/A ARG 569.A N ASP 565.A O no hydrogen 2.931 N/A ARG 569.A NH1 LEU 559.A O no hydrogen 2.986 N/A ARG 569.A NH1 ASP 560.A O no hydrogen 3.258 N/A ARG 569.A NH1 TYR 563.A O no hydrogen 3.119 N/A ARG 569.A NH2 LEU 559.A O no hydrogen 3.063 N/A GLY 570.A N PRO 566.A O no hydrogen 2.889 N/A PHE 571.A N MET 567.A O no hydrogen 3.108 N/A ALA 572.A N VAL 568.A O no hydrogen 3.124 N/A VAL 573.A N ARG 569.A O no hydrogen 2.920 N/A ARG 574.A N GLY 570.A O no hydrogen 3.112 N/A CYS 575.A N PHE 571.A O no hydrogen 3.140 N/A CYS 575.A SG ILE 550.A O no hydrogen 3.820 N/A CYS 575.A SG PHE 571.A O no hydrogen 3.396 N/A LEU 576.A N ALA 572.A O no hydrogen 3.389 N/A GLU 577.A N VAL 573.A O no hydrogen 2.813 N/A LYS 578.A N ARG 574.A O no hydrogen 3.170 N/A TYR 579.A N CYS 575.A O no hydrogen 2.731 N/A LEU 580.A N LEU 576.A O no hydrogen 2.998 N/A THR 581.A OG1 SER 172.A OG no hydrogen 2.953 N/A LYS 584.A N THR 581.A OG1 no hydrogen 3.091 N/A LYS 584.A NZ ASP 583.A OD2 no hydrogen 2.937 N/A LEU 585.A N THR 581.A O no hydrogen 3.003 N/A SER 586.A N ASP 582.A O no hydrogen 2.985 N/A SER 586.A OG ASP 582.A O no hydrogen 3.120 N/A GLN 587.A N ASP 583.A O no hydrogen 2.911 N/A TYR 588.A N LYS 584.A O no hydrogen 2.829 N/A TYR 588.A OH GLU 553.A OE2 no hydrogen 3.027 N/A GLN 591.A NE2 GLN 772.A OE1 no hydrogen 3.165 N/A GLN 591.A NE2 LEU 948.A O no hydrogen 3.447 N/A LEU 592.A N TYR 588.A O no hydrogen 3.134 N/A VAL 593.A N LEU 589.A O no hydrogen 2.796 N/A GLN 594.A N ILE 590.A O no hydrogen 3.001 N/A VAL 595.A N GLN 591.A O no hydrogen 2.903 N/A LEU 596.A N VAL 593.A O no hydrogen 3.037 N/A LYS 597.A N GLN 594.A O no hydrogen 3.269 N/A LYS 597.A NZ GLU 631.A OE1 no hydrogen 3.013 N/A LYS 597.A NZ GLU 631.A OE2 no hydrogen 3.317 N/A TYR 598.A N VAL 595.A O no hydrogen 3.056 N/A TYR 598.A OH SER 950.A O no hydrogen 3.339 N/A GLN 600.A NE2 ASN 408.A OD1 no hydrogen 2.798 N/A TYR 601.A OH PHE 410.A O no hydrogen 2.631 N/A LEU 602.A N GLU 134.A OE2 no hydrogen 2.761 N/A ASN 604.A ND2 TYR 601.A O no hydrogen 2.806 N/A VAL 607.A N ASN 604.A OD1 no hydrogen 2.757 N/A ARG 608.A N ASN 604.A O no hydrogen 3.316 N/A ARG 608.A NH1 ASN 141.A O no hydrogen 3.499 N/A ARG 608.A NH1 ASP 603.A OD1 no hydrogen 2.832 N/A PHE 609.A N LEU 605.A O no hydrogen 2.973 N/A LEU 610.A N LEU 606.A O no hydrogen 3.033 N/A LEU 611.A N VAL 607.A O no hydrogen 2.937 N/A LYS 612.A N ARG 608.A O no hydrogen 2.990 N/A LYS 613.A N PHE 609.A O no hydrogen 3.196 N/A ALA 614.A N LEU 610.A O no hydrogen 2.854 N/A LEU 615.A N LEU 611.A O no hydrogen 3.006 N/A LEU 615.A N LYS 612.A O no hydrogen 3.192 N/A THR 616.A N LYS 613.A O no hydrogen 3.219 N/A THR 616.A OG1 LYS 612.A O no hydrogen 2.721 N/A ASN 617.A N LYS 613.A O no hydrogen 2.882 N/A ASN 617.A ND2 ASP 582.A OD2 no hydrogen 3.296 N/A GLN 618.A N TYR 164.A O no hydrogen 3.166 N/A ARG 619.A N ASN 617.A OD1 no hydrogen 2.826 N/A ARG 619.A NH2 PRO 168.A O no hydrogen 3.016 N/A ILE 620.A N ASN 617.A OD1 no hydrogen 2.962 N/A GLY 621.A N ASN 617.A O no hydrogen 2.970 N/A HIS 622.A N GLN 618.A O no hydrogen 3.001 N/A HIS 622.A ND1 TYR 655.A OH no hydrogen 2.706 N/A HIS 622.A NE2 PRO 711.A O no hydrogen 2.678 N/A PHE 623.A N ARG 619.A O no hydrogen 3.356 N/A PHE 624.A N ILE 620.A O no hydrogen 2.857 N/A PHE 625.A N GLY 621.A O no hydrogen 2.778 N/A TRP 626.A N HIS 622.A O no hydrogen 3.180 N/A TRP 626.A NE1 GLN 662.A OE1 no hydrogen 2.984 N/A HIS 627.A N PHE 623.A O no hydrogen 2.771 N/A LEU 628.A N PHE 624.A O no hydrogen 3.163 N/A LYS 629.A N PHE 625.A O no hydrogen 2.798 N/A LYS 629.A NZ ALA 119.A O no hydrogen 3.298 N/A SER 630.A N TRP 626.A O no hydrogen 2.816 N/A SER 630.A OG TRP 626.A O no hydrogen 3.109 N/A SER 630.A OG HIS 627.A O no hydrogen 2.721 N/A GLU 631.A N LEU 628.A O no hydrogen 3.127 N/A MET 632.A N LYS 629.A O no hydrogen 3.181 N/A ASN 634.A N GLU 631.A O no hydrogen 2.925 N/A THR 636.A OG1 ASN 634.A OD1 no hydrogen 2.774 N/A VAL 637.A N ASN 634.A O no hydrogen 2.852 N/A SER 638.A N ASN 634.A O no hydrogen 2.920 N/A ARG 640.A NH1 TYR 601.A O no hydrogen 3.524 N/A PHE 641.A N VAL 637.A O no hydrogen 2.945 N/A GLY 642.A N SER 638.A O no hydrogen 2.710 N/A LEU 643.A N GLN 639.A O no hydrogen 2.926 N/A LEU 644.A N ARG 640.A O no hydrogen 3.160 N/A LEU 645.A N PHE 641.A O no hydrogen 3.059 N/A GLU 646.A N GLY 642.A O no hydrogen 2.831 N/A SER 647.A N LEU 643.A O no hydrogen 3.079 N/A SER 647.A OG LEU 643.A O no hydrogen 3.118 N/A SER 647.A OG LEU 644.A O no hydrogen 3.084 N/A TYR 648.A N LEU 644.A O no hydrogen 2.950 N/A CYS 649.A N LEU 645.A O no hydrogen 2.855 N/A CYS 649.A SG LEU 645.A O no hydrogen 3.215 N/A ARG 650.A N GLU 646.A O no hydrogen 3.102 N/A ARG 650.A NE TYR 299.A OH no hydrogen 2.875 N/A ARG 650.A NH1 ASN 113.A OD1 no hydrogen 3.558 N/A ARG 650.A NH2 GLU 646.A OE2 no hydrogen 2.824 N/A ALA 651.A N TYR 648.A O no hydrogen 3.228 N/A CYS 652.A SG CYS 649.A O no hydrogen 3.773 N/A CYS 652.A SG GLY 653.A O no hydrogen 3.775 N/A TYR 655.A OH HIS 622.A ND1 no hydrogen 2.706 N/A LEU 656.A N GLY 653.A O no hydrogen 3.443 N/A LYS 657.A N MET 654.A O no hydrogen 2.932 N/A LYS 657.A NZ GLU 115.A OE2 no hydrogen 2.909 N/A LEU 659.A N TYR 655.A O no hydrogen 2.800 N/A ASN 660.A N LEU 656.A O no hydrogen 2.850 N/A ASN 660.A ND2 GLU 115.A O no hydrogen 3.360 N/A ARG 661.A N.A LYS 657.A O no hydrogen 3.159 N/A ARG 661.A N.B LYS 657.A O no hydrogen 3.177 N/A ARG 661.A NH1.B ALA 704.A O no hydrogen 3.019 N/A ARG 661.A NH2.B GLN 706.A O no hydrogen 2.712 N/A GLN 662.A N HIS 658.A O no hydrogen 3.260 N/A GLN 662.A NE2 TYR 655.A OH no hydrogen 3.289 N/A VAL 663.A N LEU 659.A O no hydrogen 2.927 N/A GLU 664.A N ASN 660.A O no hydrogen 2.821 N/A ALA 665.A N ARG 661.A O.A no hydrogen 3.103 N/A ALA 665.A N ARG 661.A O.B no hydrogen 3.043 N/A MET 666.A N GLN 662.A O no hydrogen 2.834 N/A GLU 667.A N VAL 663.A O no hydrogen 2.970 N/A LYS 668.A N GLU 664.A O no hydrogen 3.285 N/A LYS 668.A NZ ASP 90.A OD1 no hydrogen 2.938 N/A LYS 668.A NZ ASP 700.A OD2 no hydrogen 3.525 N/A LEU 669.A N ALA 665.A O no hydrogen 3.316 N/A ILE 670.A N MET 666.A O no hydrogen 2.804 N/A ASN 671.A N GLU 667.A O no hydrogen 2.874 N/A ASN 671.A ND2 HIS 13.A O no hydrogen 2.902 N/A LEU 672.A N LYS 668.A O no hydrogen 2.922 N/A THR 673.A N LEU 669.A O no hydrogen 3.019 N/A THR 673.A OG1 LEU 669.A O no hydrogen 2.692 N/A THR 673.A OG1 ILE 670.A O no hydrogen 3.236 N/A ASP 674.A N ILE 670.A O no hydrogen 3.041 N/A ILE 675.A N ASN 671.A O no hydrogen 3.171 N/A LEU 676.A N LEU 672.A O no hydrogen 3.496 N/A LYS 677.A N THR 673.A O no hydrogen 3.077 N/A LYS 677.A NZ THR 673.A O no hydrogen 3.467 N/A GLN 678.A N ASP 674.A O no hydrogen 3.272 N/A GLN 678.A N ILE 675.A O no hydrogen 3.224 N/A GLU 679.A N GLU 679.A OE1 no hydrogen 2.919 N/A LYS 680.A N ILE 675.A O no hydrogen 3.071 N/A LYS 681.A N GLN 678.A O no hydrogen 3.387 N/A LYS 681.A NZ ASP 682.A OD1 no hydrogen 2.997 N/A LYS 681.A NZ ASP 682.A OD2 no hydrogen 3.394 N/A GLN 688.A N THR 684.A O no hydrogen 2.833 N/A MET 689.A N GLN 685.A O no hydrogen 3.179 N/A LYS 690.A N LYS 686.A O no hydrogen 3.377 N/A PHE 691.A N VAL 687.A O no hydrogen 3.141 N/A LEU 692.A N GLN 688.A O no hydrogen 2.955 N/A VAL 693.A N MET 689.A O no hydrogen 2.898 N/A GLU 694.A N LYS 690.A O no hydrogen 3.196 N/A GLN 695.A N PHE 691.A O no hydrogen 3.082 N/A MET 696.A N LEU 692.A O no hydrogen 3.050 N/A ARG 697.A N VAL 693.A O no hydrogen 2.776 N/A ARG 698.A NE GLN 695.A OE1 no hydrogen 2.790 N/A ARG 698.A NH1 ASP 700.A OD1 no hydrogen 3.353 N/A ARG 698.A NH2 GLN 695.A OE1 no hydrogen 3.042 N/A MET 702.A N ARG 698.A O no hydrogen 3.079 N/A ASP 703.A N PRO 699.A O no hydrogen 3.052 N/A ALA 704.A N ASP 700.A O no hydrogen 3.208 N/A LEU 705.A N PHE 701.A O no hydrogen 2.815 N/A GLY 707.A N GLY 719.A O no hydrogen 3.016 N/A PHE 708.A N LEU 718.A O no hydrogen 2.979 N/A SER 710.A N HIS 716.A O no hydrogen 2.918 N/A LEU 712.A N SER 710.A OG no hydrogen 3.035 N/A ASN 713.A N SER 710.A O no hydrogen 3.268 N/A ASN 713.A N SER 710.A OG no hydrogen 3.181 N/A ALA 715.A N ASN 713.A OD1 no hydrogen 3.341 N/A HIS 716.A N ASN 713.A O no hydrogen 2.825 N/A LEU 718.A N PHE 708.A O no hydrogen 2.786 N/A GLY 719.A N GLU 741.A O no hydrogen 2.820 N/A LEU 721.A N GLN 706.A OE1 no hydrogen 2.748 N/A ARG 722.A N ASN 739.A O no hydrogen 2.828 N/A ARG 722.A NH1 GLU 724.A OE2 no hydrogen 2.779 N/A LEU 723.A N LEU 721.A O no hydrogen 2.874 N/A GLU 724.A N GLU 724.A OE1 no hydrogen 2.827 N/A GLU 725.A N ARG 722.A O no hydrogen 2.817 N/A CYS 726.A SG ARG 722.A O no hydrogen 3.917 N/A GLU 727.A N LYS 737.A O no hydrogen 2.895 N/A MET 729.A N PRO 735.A O no hydrogen 2.988 N/A LEU 736.A N PHE 758.A O no hydrogen 3.069 N/A LYS 737.A N GLU 727.A O no hydrogen 2.791 N/A LEU 738.A N ILE 756.A O no hydrogen 3.046 N/A TRP 740.A N ASN 754.A O no hydrogen 2.957 N/A TRP 740.A NE1 LEU 705.A O no hydrogen 2.867 N/A GLU 741.A N ASN 720.A O no hydrogen 2.810 N/A ASN 742.A N GLN 752.A O no hydrogen 2.783 N/A ASN 742.A ND2 GLY 248.A O no hydrogen 2.771 N/A ASN 742.A ND2 PHE 751.A O no hydrogen 2.861 N/A ASP 744.A N ASN 742.A OD1 no hydrogen 3.454 N/A SER 747.A OG ASN 742.A O no hydrogen 3.511 N/A SER 747.A OG ASP 744.A O no hydrogen 3.356 N/A SER 747.A OG GLU 748.A OE2 no hydrogen 3.453 N/A LEU 750.A N SER 747.A O no hydrogen 3.115 N/A PHE 751.A N SER 747.A O no hydrogen 2.973 N/A ASN 754.A N TRP 740.A O no hydrogen 2.814 N/A ILE 756.A N LEU 738.A O no hydrogen 3.112 N/A MET 757.A N ILE 805.A O no hydrogen 2.769 N/A PHE 758.A N LEU 736.A O no hydrogen 2.800 N/A LYS 759.A N GLY 803.A O no hydrogen 2.981 N/A ASN 760.A ND2 THR 673.A OG1 no hydrogen 2.764 N/A ASN 760.A ND2 ASP 674.A OD1 no hydrogen 2.872 N/A GLY 761.A N CYS 801.A O no hydrogen 2.996 N/A ARG 765.A NE ASP 763.A OD2 no hydrogen 3.514 N/A ARG 765.A NH2 GLY 956.A O no hydrogen 3.162 N/A GLN 766.A NE2 GLU 959.A OE1 no hydrogen 2.957 N/A MET 768.A N LEU 764.A O no hydrogen 2.795 N/A LEU 769.A N ARG 765.A O no hydrogen 3.015 N/A THR 770.A N GLN 766.A O no hydrogen 3.138 N/A THR 770.A OG1 GLN 766.A O no hydrogen 2.939 N/A LEU 771.A N ASP 767.A O no hydrogen 3.142 N/A GLN 772.A N MET 768.A O no hydrogen 3.142 N/A GLN 772.A NE2 GLN 587.A O no hydrogen 2.777 N/A GLN 772.A NE2 GLN 591.A OE1 no hydrogen 2.752 N/A ILE 773.A N LEU 769.A O no hydrogen 3.000 N/A ILE 774.A N THR 770.A O no hydrogen 2.918 N/A ARG 775.A N LEU 771.A O no hydrogen 2.818 N/A ARG 775.A NH1 TYR 793.A O no hydrogen 3.402 N/A ILE 776.A N GLN 772.A O no hydrogen 2.856 N/A MET 777.A N ILE 773.A O no hydrogen 2.791 N/A GLU 778.A N ILE 774.A O no hydrogen 3.058 N/A ASN 779.A N ARG 775.A O no hydrogen 3.274 N/A ASN 779.A ND2 ARG 775.A O no hydrogen 3.289 N/A ILE 780.A N ILE 776.A O no hydrogen 3.353 N/A TRP 781.A N MET 777.A O no hydrogen 3.195 N/A TRP 781.A NE1 ALA 934.A O no hydrogen 2.840 N/A GLN 782.A N GLU 778.A O no hydrogen 2.709 N/A ASN 783.A N ASN 779.A O no hydrogen 2.866 N/A GLN 784.A N TRP 781.A O no hydrogen 2.926 N/A GLN 784.A NE2 GLN 940.A OE1 no hydrogen 3.258 N/A GLY 785.A N GLN 782.A O no hydrogen 3.243 N/A LEU 786.A N TRP 781.A O no hydrogen 2.803 N/A ARG 789.A NH2 MET 270.A O no hydrogen 2.983 N/A MET 790.A N GLU 778.A OE1 no hydrogen 3.194 N/A MET 790.A N GLU 778.A OE2 no hydrogen 3.383 N/A LEU 791.A N TYR 851.A OH no hydrogen 3.378 N/A TYR 793.A OH HIS 878.A O no hydrogen 3.273 N/A GLY 794.A N GLU 806.A OE1 no hydrogen 2.979 N/A CYS 795.A SG LEU 804.A O no hydrogen 3.880 N/A LEU 796.A N LEU 804.A O no hydrogen 2.945 N/A ILE 798.A N VAL 802.A O no hydrogen 3.037 N/A CYS 801.A SG ASP 800.A OD1 no hydrogen 3.884 N/A VAL 802.A N GLY 799.A O no hydrogen 3.367 N/A GLY 803.A N LYS 759.A O no hydrogen 3.009 N/A LEU 804.A N LEU 796.A O no hydrogen 2.831 N/A ILE 805.A N MET 757.A O no hydrogen 3.005 N/A GLU 806.A N GLY 794.A O no hydrogen 2.749 N/A TRP 807.A N ILE 755.A O no hydrogen 3.305 N/A ARG 809.A NH1 ASN 753.A O no hydrogen 3.110 N/A SER 811.A OG VAL 808.A O no hydrogen 2.966 N/A HIS 812.A N VAL 870.A O no hydrogen 2.833 N/A ILE 814.A N ILE 868.A O no hydrogen 3.225 N/A MET 815.A N ASN 865.A O no hydrogen 3.170 N/A ILE 817.A N THR 813.A O no hydrogen 3.109 N/A GLN 818.A N ILE 814.A O no hydrogen 2.883 N/A GLN 818.A NE2 ASP 906.A OD2 no hydrogen 3.186 N/A CYS 819.A SG MET 815.A O no hydrogen 3.340 N/A CYS 819.A SG GLN 818.A O no hydrogen 3.181 N/A THR 823.A OG1 ASN 820.A O no hydrogen 2.701 N/A HIS 825.A NE2 TYR 837.A OH no hydrogen 2.728 N/A GLN 826.A N HIS 822.A O no hydrogen 2.866 N/A TRP 827.A N THR 823.A O no hydrogen 2.840 N/A LEU 828.A N LEU 824.A O no hydrogen 3.227 N/A LYS 829.A N HIS 825.A O no hydrogen 2.987 N/A LYS 829.A NZ GLN 826.A OE1 no hydrogen 3.102 N/A ASP 830.A N GLN 826.A O no hydrogen 2.943 N/A LYS 831.A N TRP 827.A O no hydrogen 2.952 N/A ASN 832.A N LEU 828.A O no hydrogen 3.007 N/A ASN 832.A ND2 LYS 831.A O no hydrogen 3.230 N/A LYS 833.A NZ ASP 830.A OD1 no hydrogen 3.549 N/A TYR 837.A N GLY 834.A O no hydrogen 3.498 N/A TYR 837.A OH HIS 825.A NE2 no hydrogen 2.728 N/A ALA 840.A N ILE 836.A O no hydrogen 3.290 N/A ILE 841.A N TYR 837.A O no hydrogen 3.155 N/A ASP 842.A N ASP 838.A O no hydrogen 3.191 N/A LEU 843.A N ALA 839.A O no hydrogen 3.060 N/A PHE 844.A N ALA 840.A O no hydrogen 2.929 N/A THR 845.A N ILE 841.A O no hydrogen 2.981 N/A THR 845.A OG1 ILE 841.A O no hydrogen 2.747 N/A ARG 846.A N ASP 842.A O no hydrogen 3.069 N/A ARG 846.A NE ASP 842.A OD2 no hydrogen 2.956 N/A SER 847.A N LEU 843.A O no hydrogen 3.010 N/A SER 847.A OG LEU 843.A O no hydrogen 2.811 N/A SER 847.A OG PHE 844.A O no hydrogen 3.040 N/A CYS 848.A N PHE 844.A O no hydrogen 2.985 N/A ALA 849.A N THR 845.A O no hydrogen 3.056 N/A GLY 850.A N ARG 846.A O no hydrogen 3.176 N/A TYR 851.A N SER 847.A O no hydrogen 3.023 N/A CYS 852.A N CYS 848.A O no hydrogen 2.902 N/A CYS 852.A SG PHE 901.A O no hydrogen 3.788 N/A VAL 853.A N ALA 849.A O no hydrogen 3.068 N/A ALA 854.A N GLY 850.A O no hydrogen 2.819 N/A THR 855.A N TYR 851.A O no hydrogen 3.114 N/A THR 855.A OG1 TYR 851.A O no hydrogen 2.729 N/A THR 855.A OG1 CYS 852.A O no hydrogen 3.218 N/A PHE 856.A N CYS 852.A O no hydrogen 3.144 N/A ILE 857.A N VAL 853.A O no hydrogen 3.039 N/A LEU 858.A N ALA 854.A O no hydrogen 3.286 N/A GLY 859.A N THR 855.A O no hydrogen 2.878 N/A ILE 860.A N THR 855.A O no hydrogen 3.338 N/A GLY 861.A N HIS 883.A O no hydrogen 3.012 N/A ARG 863.A N PRO 900.A O no hydrogen 3.150 N/A ARG 863.A NE HIS 878.A ND1 no hydrogen 2.859 N/A ARG 863.A NH1 GLY 861.A O no hydrogen 2.976 N/A ARG 863.A NH1 ASP 880.A O no hydrogen 2.992 N/A ARG 863.A NH2 HIS 878.A ND1 no hydrogen 3.427 N/A ARG 863.A NH2 ILE 879.A O no hydrogen 2.731 N/A ARG 863.A NH2 ASP 880.A O no hydrogen 3.450 N/A SER 866.A N HIS 864.A ND1 no hydrogen 3.275 N/A ASN 867.A N HIS 864.A ND1 no hydrogen 3.234 N/A ASN 867.A ND2 ASP 862.A O no hydrogen 2.738 N/A ILE 868.A N HIS 864.A O no hydrogen 3.041 N/A MET 869.A N VAL 877.A O no hydrogen 2.827 N/A VAL 870.A N HIS 812.A O no hydrogen 2.812 N/A LYS 871.A N GLN 875.A O no hydrogen 2.810 N/A ASP 872.A N ASN 810.A O no hydrogen 2.982 N/A GLY 874.A N LYS 871.A O no hydrogen 2.835 N/A GLN 875.A NE2 ARG 789.A O no hydrogen 2.805 N/A GLN 875.A NE2 LEU 876.A O no hydrogen 3.453 N/A LEU 876.A N SER 847.A OG no hydrogen 3.118 N/A VAL 877.A N MET 869.A O no hydrogen 2.800 N/A ILE 879.A N ASN 867.A O no hydrogen 2.901 N/A HIS 883.A ND1 GLU 959.A OE2 no hydrogen 3.043 N/A LEU 885.A N LEU 858.A O no hydrogen 2.770 N/A HIS 887.A N LEU 885.A O no hydrogen 2.855 N/A LYS 888.A NZ ASP 862.A OD1 no hydrogen 2.776 N/A LYS 889.A N ASP 886.A O no hydrogen 3.407 N/A LYS 890.A NZ GLY 431.A O no hydrogen 3.546 N/A LYS 890.A NZ GLU 433.A OE2 no hydrogen 3.347 N/A PHE 892.A N LYS 888.A O no hydrogen 2.873 N/A TYR 894.A N PHE 892.A O no hydrogen 2.749 N/A ARG 898.A NH2 ILE 860.A O no hydrogen 2.733 N/A ARG 898.A NH2 HIS 887.A NE2 no hydrogen 2.832 N/A LEU 903.A N HIS 994.A NE2 no hydrogen 3.197 N/A THR 904.A OG1 ASP 906.A OD1 no hydrogen 3.524 N/A LEU 908.A N THR 904.A O no hydrogen 3.147 N/A ILE 909.A N GLN 905.A O no hydrogen 2.930 N/A VAL 910.A N ASP 906.A O no hydrogen 3.231 N/A ILE 911.A N PHE 907.A O no hydrogen 3.254 N/A SER 912.A N LEU 908.A O no hydrogen 2.797 N/A SER 912.A OG LEU 908.A O no hydrogen 2.859 N/A SER 912.A OG CYS 918.A O no hydrogen 3.016 N/A SER 912.A OG THR 921.A OG1 no hydrogen 3.045 N/A LYS 913.A N VAL 910.A O no hydrogen 3.321 N/A LYS 913.A NZ ASP 838.A OD1 no hydrogen 3.205 N/A GLY 914.A N ILE 909.A O no hydrogen 2.944 N/A ALA 915.A N SER 912.A O no hydrogen 3.184 N/A CYS 918.A SG ALA 915.A O no hydrogen 3.524 N/A CYS 918.A SG GLN 916.A O no hydrogen 3.683 N/A LYS 920.A N GLU 917.A O no hydrogen 3.216 N/A THR 921.A OG1 SER 912.A OG no hydrogen 3.045 N/A THR 921.A OG1 CYS 918.A O no hydrogen 2.724 N/A ARG 922.A NE GLU 923.A OE2 no hydrogen 3.282 N/A GLU 925.A N THR 921.A O no hydrogen 3.376 N/A ARG 926.A N ARG 922.A O no hydrogen 3.266 N/A ARG 926.A NH2 ASP 842.A OD1 no hydrogen 2.791 N/A PHE 927.A N GLU 923.A O no hydrogen 3.275 N/A GLN 928.A N PHE 924.A O no hydrogen 2.954 N/A GLN 928.A NE2 PHE 924.A O no hydrogen 3.369 N/A GLU 929.A N GLU 925.A O no hydrogen 3.115 N/A MET 930.A N ARG 926.A O no hydrogen 3.247 N/A CYS 931.A N PHE 927.A O no hydrogen 3.221 N/A CYS 931.A SG PHE 927.A O no hydrogen 3.492 N/A TYR 932.A N GLN 928.A O no hydrogen 2.921 N/A LYS 933.A N GLU 929.A O no hydrogen 3.006 N/A ALA 934.A N MET 930.A O no hydrogen 2.908 N/A TYR 935.A N CYS 931.A O no hydrogen 2.885 N/A TYR 935.A OH THR 972.A O no hydrogen 2.652 N/A LEU 936.A N TYR 932.A O no hydrogen 3.407 N/A ALA 937.A N LYS 933.A O no hydrogen 2.862 N/A ILE 938.A N ALA 934.A O no hydrogen 3.183 N/A ARG 939.A N TYR 935.A O no hydrogen 2.863 N/A ARG 939.A NE LEU 973.A O no hydrogen 2.762 N/A ARG 939.A NH2 ALA 974.A O no hydrogen 2.862 N/A GLN 940.A N ALA 937.A O no hydrogen 2.955 N/A HIS 941.A N ALA 937.A O no hydrogen 3.095 N/A HIS 941.A NE2 GLN 784.A OE1 no hydrogen 2.951 N/A PHE 945.A N HIS 941.A O no hydrogen 3.423 N/A ILE 946.A N ALA 942.A O no hydrogen 2.865 N/A ASN 947.A N ASN 943.A O no hydrogen 2.871 N/A ASN 947.A ND2 GLU 553.A O no hydrogen 3.592 N/A ASN 947.A ND2 GLU 557.A OE1 no hydrogen 3.559 N/A LEU 948.A N LEU 944.A O no hydrogen 3.089 N/A PHE 949.A N PHE 945.A O no hydrogen 3.153 N/A SER 950.A N ILE 946.A O no hydrogen 2.824 N/A SER 950.A OG ILE 946.A O no hydrogen 2.700 N/A MET 951.A N ASN 947.A O no hydrogen 2.856 N/A MET 952.A N PHE 949.A O no hydrogen 2.938 N/A GLY 954.A N TYR 598.A OH no hydrogen 3.136 N/A SER 955.A N MET 952.A O no hydrogen 2.909 N/A SER 955.A OG MET 952.A O no hydrogen 2.682 N/A MET 957.A N SER 955.A OG no hydrogen 3.352 N/A LEU 960.A N MET 957.A O no hydrogen 3.147 N/A GLN 961.A N ASP 965.A OD2 no hydrogen 2.768 N/A GLN 961.A NE2 PRO 958.A O no hydrogen 2.916 N/A SER 962.A N ASP 965.A OD2 no hydrogen 2.919 N/A SER 962.A OG ASP 965.A OD2 no hydrogen 3.202 N/A ASP 965.A N SER 962.A O no hydrogen 2.913 N/A ALA 967.A N PHE 963.A O no hydrogen 3.127 N/A TYR 968.A N ASP 965.A O no hydrogen 3.416 N/A ILE 969.A N ILE 966.A O no hydrogen 3.114 N/A ARG 970.A NE ASP 495.A OD1 no hydrogen 3.133 N/A ARG 970.A NE ASP 495.A OD2 no hydrogen 2.786 N/A ARG 970.A NH2 ASP 495.A OD1 no hydrogen 3.222 N/A ARG 970.A NH2 ASP 495.A OD2 no hydrogen 2.909 N/A ARG 970.A NH2 ASP 976.A OD1 no hydrogen 3.026 N/A LYS 971.A N TYR 968.A O no hydrogen 2.980 N/A LYS 971.A NZ ALA 967.A O no hydrogen 3.153 N/A THR 972.A N TYR 968.A O no hydrogen 3.132 N/A THR 972.A OG1 ILE 857.A O no hydrogen 2.908 N/A THR 972.A OG1 TYR 968.A O no hydrogen 3.534 N/A THR 972.A OG1 ILE 969.A O no hydrogen 3.192 N/A LEU 973.A N ILE 969.A O no hydrogen 3.095 N/A ALA 974.A N LYS 971.A O no hydrogen 2.914 N/A LEU 975.A N ARG 970.A O no hydrogen 3.298 N/A LYS 977.A N ALA 974.A O no hydrogen 3.254 N/A THR 978.A N GLU 981.A OE1 no hydrogen 3.324 N/A GLU 981.A N THR 978.A OG1 no hydrogen 3.244 N/A ALA 982.A N THR 978.A O no hydrogen 2.780 N/A LEU 983.A N GLU 979.A O no hydrogen 3.180 N/A GLU 984.A N GLN 980.A O no hydrogen 3.138 N/A TYR 985.A N GLU 981.A O no hydrogen 2.793 N/A PHE 986.A N ALA 982.A O no hydrogen 2.795 N/A MET 987.A N LEU 983.A O no hydrogen 2.986 N/A LYS 988.A N GLU 984.A O no hydrogen 3.228 N/A LYS 988.A NZ ASP 992.A OD1 no hydrogen 3.511 N/A GLN 989.A N TYR 985.A O no hydrogen 2.986 N/A MET 990.A N PHE 986.A O no hydrogen 2.960 N/A ASN 991.A N MET 987.A O no hydrogen 2.919 N/A ASN 991.A ND2 MET 987.A O no hydrogen 3.152 N/A ASN 991.A ND2 TRP 998.A O no hydrogen 2.787 N/A ASP 992.A N LYS 988.A O no hydrogen 2.903 N/A ALA 993.A N GLN 989.A O no hydrogen 3.281 N/A HIS 994.A N MET 990.A O no hydrogen 3.064 N/A GLY 996.A N ASN 991.A O no hydrogen 3.069 N/A TRP 998.A N ASN 991.A OD1 no hydrogen 2.904 N/A