Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wby_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N GLU 4.A OE1 no hydrogen 2.545 N/A GLN 5.A N THR 1.A O no hydrogen 2.944 N/A ALA 6.A N ILE 2.A O no hydrogen 2.897 N/A LYS 7.A N GLU 3.A O no hydrogen 2.899 N/A THR 8.A N GLU 4.A O no hydrogen 2.908 N/A THR 8.A OG1 GLU 4.A O no hydrogen 2.539 N/A PHE 9.A N GLN 5.A O no hydrogen 2.883 N/A LEU 10.A N ALA 6.A O no hydrogen 2.910 N/A ASP 11.A N LYS 7.A O no hydrogen 2.878 N/A LYS 12.A N THR 8.A O no hydrogen 2.921 N/A PHE 13.A N PHE 9.A O no hydrogen 2.911 N/A ASN 14.A N LEU 10.A O no hydrogen 2.910 N/A HIS 15.A N ASP 11.A O no hydrogen 2.918 N/A GLU 16.A N PHE 13.A O no hydrogen 3.246 N/A ALA 17.A N PHE 13.A O no hydrogen 2.906 N/A GLU 18.A N ASN 14.A O no hydrogen 2.960 N/A LEU 20.A N GLU 16.A O no hydrogen 3.013 N/A PHE 21.A N ALA 17.A O no hydrogen 2.942 N/A TYR 22.A N GLU 18.A O no hydrogen 2.866 N/A TYR 22.A OH ASP 336.A OD2 no hydrogen 3.226 N/A GLN 23.A N ASP 19.A O no hydrogen 2.912 N/A SER 24.A N LEU 20.A O no hydrogen 2.953 N/A SER 25.A N PHE 21.A O no hydrogen 2.903 N/A SER 25.A OG PHE 21.A O no hydrogen 3.133 N/A SER 25.A OG TYR 22.A O no hydrogen 2.246 N/A LEU 26.A N TYR 22.A O no hydrogen 2.964 N/A ALA 27.A N GLN 23.A O no hydrogen 2.939 N/A SER 28.A N SER 24.A O no hydrogen 2.957 N/A SER 28.A OG SER 24.A O no hydrogen 2.757 N/A TRP 29.A N SER 25.A O no hydrogen 2.861 N/A ASN 30.A N LEU 26.A O no hydrogen 2.840 N/A TYR 31.A N ALA 27.A O no hydrogen 2.968 N/A ASN 32.A N SER 28.A O no hydrogen 2.919 N/A ASN 32.A ND2 SER 28.A O no hydrogen 2.401 N/A THR 33.A N TRP 29.A O no hydrogen 2.899 N/A THR 33.A OG1 TRP 29.A O no hydrogen 2.394 N/A ASN 34.A N ASN 30.A O no hydrogen 3.459 N/A THR 36.A OG1 GLU 38.A OE2 no hydrogen 3.512 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.750 N/A VAL 40.A N GLU 37.A O no hydrogen 3.043 N/A GLN 41.A N GLN 41.A OE1 no hydrogen 2.850 N/A MET 43.A N ASN 39.A O no hydrogen 2.887 N/A ASN 44.A N VAL 40.A O no hydrogen 2.910 N/A ASN 45.A N GLN 41.A O no hydrogen 2.917 N/A ALA 46.A N ASN 42.A O no hydrogen 3.121 N/A GLY 47.A N MET 43.A O no hydrogen 2.880 N/A ASP 48.A N ASN 44.A O no hydrogen 2.915 N/A LYS 49.A N ASN 45.A O no hydrogen 2.876 N/A TRP 50.A N ALA 46.A O no hydrogen 2.901 N/A SER 51.A N GLY 47.A O no hydrogen 2.884 N/A ALA 52.A N ASP 48.A O no hydrogen 2.889 N/A PHE 53.A N LYS 49.A O no hydrogen 2.875 N/A LEU 54.A N TRP 50.A O no hydrogen 2.923 N/A LYS 55.A N SER 51.A O no hydrogen 2.892 N/A GLU 56.A N ALA 52.A O no hydrogen 2.899 N/A GLN 57.A N PHE 53.A O no hydrogen 2.906 N/A GLN 57.A NE2 GLU 56.A OE2 no hydrogen 2.409 N/A SER 58.A N LEU 54.A O no hydrogen 2.901 N/A THR 59.A N LYS 55.A O no hydrogen 2.923 N/A THR 59.A OG1 LYS 55.A O no hydrogen 3.481 N/A THR 59.A OG1 GLU 56.A O no hydrogen 2.397 N/A LEU 60.A N GLU 56.A O no hydrogen 2.936 N/A ALA 61.A N SER 58.A O no hydrogen 3.174 N/A GLN 62.A NE2 SER 58.A O no hydrogen 2.382 N/A GLN 62.A NE2 GLN 82.A OE1 no hydrogen 3.182 N/A GLN 67.A N GLN 67.A OE1 no hydrogen 2.639 N/A VAL 74.A N ASN 71.A OD1 no hydrogen 2.337 N/A LYS 75.A NZ LEU 66.A O no hydrogen 2.395 N/A LEU 76.A N LEU 72.A O no hydrogen 2.897 N/A GLN 77.A N THR 73.A O no hydrogen 2.957 N/A LEU 78.A N VAL 74.A O no hydrogen 2.871 N/A GLN 79.A N LYS 75.A O no hydrogen 2.927 N/A ALA 80.A N LEU 76.A O no hydrogen 2.874 N/A LEU 81.A N GLN 77.A O no hydrogen 2.927 N/A GLN 82.A N GLN 79.A O no hydrogen 3.066 N/A GLN 82.A NE2 ALA 61.A O no hydrogen 2.978 N/A GLN 83.A N GLN 83.A OE1 no hydrogen 2.297 N/A GLN 83.A NE2 ALA 80.A O no hydrogen 2.762 N/A LEU 89.A N SER 86.A O no hydrogen 3.266 N/A SER 90.A OG ASP 92.A OD1 no hydrogen 2.331 N/A SER 94.A N SER 90.A O no hydrogen 2.602 N/A LYS 95.A N GLU 91.A O no hydrogen 2.926 N/A ARG 96.A N ASP 92.A O no hydrogen 2.908 N/A LEU 97.A N LYS 93.A O no hydrogen 2.891 N/A ASN 98.A N SER 94.A O no hydrogen 2.962 N/A ASN 98.A ND2 SER 94.A O no hydrogen 3.113 N/A THR 99.A N LYS 95.A O no hydrogen 2.944 N/A THR 99.A OG1 LYS 95.A O no hydrogen 2.643 N/A ILE 100.A N ARG 96.A O no hydrogen 2.925 N/A LEU 101.A N LEU 97.A O no hydrogen 2.947 N/A ASN 102.A N ASN 98.A O no hydrogen 2.983 N/A THR 103.A N THR 99.A O no hydrogen 2.909 N/A THR 103.A OG1 THR 99.A O no hydrogen 2.675 N/A MET 104.A N ILE 100.A O no hydrogen 2.940 N/A SER 105.A N LEU 101.A O no hydrogen 2.991 N/A THR 106.A N ASN 102.A O no hydrogen 2.941 N/A THR 106.A OG1 ASN 102.A O no hydrogen 2.734 N/A ILE 107.A N THR 103.A O no hydrogen 2.912 N/A TYR 108.A N MET 104.A O no hydrogen 3.018 N/A SER 109.A N SER 105.A O no hydrogen 2.955 N/A THR 110.A N THR 106.A O no hydrogen 3.023 N/A THR 110.A OG1 THR 106.A O no hydrogen 2.708 N/A VAL 113.A N LEU 123.A O no hydrogen 3.346 N/A ASN 115.A ND2 GLU 121.A OE2 no hydrogen 2.911 N/A ASN 118.A ND2 GLU 121.A OE1 no hydrogen 3.394 N/A CYS 122.A SG PRO 119.A O no hydrogen 3.436 N/A LEU 123.A N VAL 113.A O no hydrogen 3.264 N/A LEU 129.A N PRO 127.A O no hydrogen 2.972 N/A ASN 130.A N LEU 125.A O no hydrogen 2.959 N/A ILE 132.A N GLY 128.A O no hydrogen 2.686 N/A MET 133.A N LEU 129.A O no hydrogen 2.974 N/A ALA 134.A N ASN 130.A O no hydrogen 2.881 N/A ASN 135.A N GLU 131.A O no hydrogen 2.934 N/A SER 136.A N ILE 132.A O no hydrogen 3.250 N/A SER 136.A OG GLU 141.A OE1 no hydrogen 2.917 N/A ASP 138.A N SER 136.A OG no hydrogen 3.129 N/A ARG 142.A N ASP 138.A O no hydrogen 3.232 N/A ARG 142.A NE HIS 246.A O no hydrogen 2.977 N/A ARG 142.A NH1 MET 133.A O no hydrogen 2.554 N/A ARG 142.A NH1 SER 136.A O no hydrogen 2.935 N/A ARG 142.A NH2 HIS 246.A O no hydrogen 3.059 N/A LEU 143.A N TYR 139.A O no hydrogen 2.944 N/A TRP 144.A N ASN 140.A O no hydrogen 2.906 N/A ALA 145.A N GLU 141.A O no hydrogen 2.958 N/A TRP 146.A N ARG 142.A O no hydrogen 2.951 N/A GLU 147.A N LEU 143.A O no hydrogen 2.990 N/A SER 148.A N TRP 144.A O no hydrogen 2.890 N/A SER 148.A OG TRP 144.A O no hydrogen 3.280 N/A SER 148.A OG ALA 145.A O no hydrogen 3.310 N/A TRP 149.A N ALA 145.A O no hydrogen 3.000 N/A ARG 150.A N TRP 146.A O no hydrogen 3.036 N/A SER 151.A N GLU 147.A O no hydrogen 2.904 N/A SER 151.A OG GLU 147.A O no hydrogen 3.156 N/A GLU 152.A N SER 148.A O no hydrogen 3.496 N/A VAL 153.A N TRP 149.A O no hydrogen 3.052 N/A GLY 154.A N ARG 150.A O no hydrogen 2.891 N/A LYS 155.A N SER 151.A O no hydrogen 2.956 N/A LYS 155.A NZ THR 477.A OG1 no hydrogen 2.487 N/A GLN 156.A N GLU 152.A O no hydrogen 2.964 N/A LEU 157.A N VAL 153.A O no hydrogen 2.898 N/A ARG 158.A N GLY 154.A O no hydrogen 2.970 N/A ARG 158.A NE GLU 162.A OE2 no hydrogen 2.819 N/A ARG 158.A NH1 GLU 476.A OE1 no hydrogen 3.442 N/A ARG 158.A NH1 TYR 478.A O no hydrogen 2.938 N/A ARG 158.A NH2 GLU 162.A OE2 no hydrogen 3.389 N/A ARG 158.A NH2 GLU 476.A OE1 no hydrogen 3.352 N/A TYR 161.A N LEU 157.A O no hydrogen 3.010 N/A GLU 162.A N ARG 158.A O no hydrogen 2.989 N/A GLU 163.A N PRO 159.A O no hydrogen 2.996 N/A TYR 164.A N LEU 160.A O no hydrogen 2.889 N/A TYR 164.A OH ASP 490.A OD1 no hydrogen 2.215 N/A VAL 165.A N TYR 161.A O no hydrogen 2.876 N/A VAL 166.A N GLU 162.A O no hydrogen 3.048 N/A LEU 167.A N GLU 163.A O no hydrogen 2.964 N/A LYS 168.A N TYR 164.A O no hydrogen 2.909 N/A LYS 168.A NZ TYR 180.A OH no hydrogen 3.241 N/A LYS 168.A NZ ASP 490.A OD2 no hydrogen 3.171 N/A ASN 169.A N VAL 165.A O no hydrogen 2.910 N/A ASN 169.A ND2 PHE 445.A O no hydrogen 2.920 N/A GLU 170.A N VAL 166.A O no hydrogen 2.975 N/A MET 171.A N LEU 167.A O no hydrogen 2.933 N/A ALA 172.A N LYS 168.A O no hydrogen 2.909 N/A ARG 173.A N ASN 169.A O no hydrogen 2.904 N/A ARG 173.A NE GLU 178.A O no hydrogen 3.567 N/A ALA 174.A N GLU 170.A O no hydrogen 2.965 N/A ASN 175.A N ALA 172.A O no hydrogen 2.926 N/A ASN 175.A ND2 GLY 85.A O no hydrogen 3.502 N/A TYR 180.A N ASN 169.A OD1 no hydrogen 3.343 N/A ASP 182.A N ASP 179.A OD1 no hydrogen 3.382 N/A TRP 184.A N TYR 180.A O no hydrogen 2.944 N/A ARG 185.A N GLY 181.A O no hydrogen 2.892 N/A ARG 185.A NH2 ASP 182.A OD1 no hydrogen 3.132 N/A GLY 186.A N ASP 182.A O no hydrogen 2.924 N/A GLY 186.A N TYR 183.A O no hydrogen 3.330 N/A TYR 188.A N ARG 185.A O no hydrogen 3.360 N/A GLU 189.A N GLY 186.A O no hydrogen 3.262 N/A VAL 190.A N TYR 198.A O no hydrogen 3.363 N/A GLY 195.A N ASP 197.A OD1 no hydrogen 3.400 N/A TYR 198.A N VAL 190.A O no hydrogen 3.197 N/A TYR 198.A OH ASP 206.A OD2 no hydrogen 2.808 N/A ARG 200.A NH1 GLU 189.A OE1 no hydrogen 2.574 N/A GLY 201.A N SER 199.A OG no hydrogen 3.204 N/A GLN 202.A N SER 199.A O no hydrogen 3.432 N/A LEU 203.A N ARG 200.A O no hydrogen 3.463 N/A ASP 206.A N GLN 202.A O no hydrogen 2.949 N/A VAL 207.A N LEU 203.A O no hydrogen 2.933 N/A GLU 208.A N ILE 204.A O no hydrogen 2.960 N/A HIS 209.A N GLU 205.A O no hydrogen 2.933 N/A THR 210.A N ASP 206.A O no hydrogen 2.976 N/A THR 210.A OG1 ASP 206.A O no hydrogen 3.221 N/A THR 210.A OG1 VAL 207.A O no hydrogen 2.596 N/A THR 210.A OG1 TYR 497.A OH no hydrogen 2.902 N/A PHE 211.A N VAL 207.A O no hydrogen 2.952 N/A GLU 212.A N GLU 208.A O no hydrogen 2.973 N/A ILE 214.A N THR 210.A O no hydrogen 3.027 N/A TYR 218.A OH VAL 466.A O no hydrogen 2.280 N/A GLU 219.A N LYS 215.A O no hydrogen 2.950 N/A HIS 220.A N PRO 216.A O no hydrogen 2.995 N/A LEU 221.A N LEU 217.A O no hydrogen 2.959 N/A HIS 222.A N TYR 218.A O no hydrogen 2.835 N/A ALA 223.A N GLU 219.A O no hydrogen 2.981 N/A TYR 224.A N HIS 220.A O no hydrogen 2.978 N/A TYR 224.A OH THR 263.A O no hydrogen 3.352 N/A VAL 225.A N LEU 221.A O no hydrogen 2.940 N/A ARG 226.A N HIS 222.A O no hydrogen 2.915 N/A ARG 226.A NH1 GLY 241.A O no hydrogen 2.352 N/A ARG 226.A NH1 GLY 586.A O no hydrogen 3.209 N/A ARG 226.A NH2 GLY 586.A O no hydrogen 2.694 N/A ALA 227.A N ALA 223.A O no hydrogen 2.941 N/A LYS 228.A N TYR 224.A O no hydrogen 2.959 N/A LYS 228.A NZ TYR 224.A OH no hydrogen 3.395 N/A LEU 229.A N VAL 225.A O no hydrogen 2.910 N/A LEU 229.A N ARG 226.A O no hydrogen 3.337 N/A MET 230.A N ALA 227.A O no hydrogen 3.487 N/A ALA 232.A N LEU 229.A O no hydrogen 3.344 N/A TYR 233.A N LEU 229.A O no hydrogen 3.210 N/A SER 235.A OG PRO 234.A O no hydrogen 2.515 N/A ILE 240.A N SER 238.A OG no hydrogen 3.383 N/A CYS 242.A SG SER 588.A O no hydrogen 3.269 N/A LEU 243.A N GLY 467.A O no hydrogen 3.353 N/A LEU 247.A N PRO 244.A O no hydrogen 3.511 N/A TRP 252.A N ASP 250.A OD2 no hydrogen 3.318 N/A TRP 256.A N LEU 425.A O no hydrogen 3.369 N/A ASN 258.A ND2 GLY 249.A O no hydrogen 2.643 N/A LEU 259.A N TRP 256.A O no hydrogen 3.062 N/A TYR 260.A N THR 257.A O no hydrogen 2.941 N/A LEU 262.A N LEU 259.A O no hydrogen 2.917 N/A THR 263.A N LEU 259.A O no hydrogen 2.960 N/A THR 263.A OG1 LEU 259.A O no hydrogen 2.671 N/A GLN 268.A N GLN 268.A OE1 no hydrogen 2.424 N/A LYS 269.A NZ ASP 412.A OD2 no hydrogen 2.494 N/A LYS 269.A NZ GLU 414.A OE1 no hydrogen 2.873 N/A THR 275.A N ASP 273.A OD1 no hydrogen 3.368 N/A ALA 277.A N VAL 274.A O no hydrogen 3.084 N/A ASP 280.A N ASP 276.A O no hydrogen 2.800 N/A GLN 281.A N ALA 277.A O no hydrogen 3.044 N/A ALA 282.A N VAL 279.A O no hydrogen 3.128 N/A TRP 283.A N MET 278.A O no hydrogen 3.306 N/A ARG 287.A NE GLU 291.A OE2 no hydrogen 2.690 N/A ARG 287.A NH2 GLU 291.A OE2 no hydrogen 3.386 N/A GLU 291.A N ARG 287.A O no hydrogen 2.876 N/A ALA 292.A N ILE 288.A O no hydrogen 2.910 N/A GLU 293.A N PHE 289.A O no hydrogen 2.910 N/A LYS 294.A N LYS 290.A O no hydrogen 2.894 N/A PHE 295.A N GLU 291.A O no hydrogen 2.897 N/A PHE 296.A N ALA 292.A O no hydrogen 2.925 N/A VAL 297.A N GLU 293.A O no hydrogen 2.877 N/A SER 298.A N LYS 294.A O no hydrogen 2.921 N/A SER 298.A OG PHE 295.A O no hydrogen 2.351 N/A GLY 300.A N VAL 297.A O no hydrogen 2.786 N/A GLU 310.A N GLN 306.A O no hydrogen 2.914 N/A ASN 311.A N PHE 308.A O no hydrogen 3.117 N/A SER 312.A OG TRP 309.A O no hydrogen 3.091 N/A THR 328.A N LEU 340.A O no hydrogen 2.917 N/A THR 328.A OG1 HIS 326.A O no hydrogen 2.779 N/A TRP 330.A N ARG 338.A O no hydrogen 2.843 N/A GLY 333.A N ASP 336.A O no hydrogen 3.416 N/A ARG 338.A N TRP 330.A O no hydrogen 2.953 N/A LEU 340.A N THR 328.A O no hydrogen 2.900 N/A CYS 342.A SG CYS 325.A O no hydrogen 3.236 N/A THR 343.A N LEU 314.A O no hydrogen 3.043 N/A THR 343.A OG1 LEU 314.A O no hydrogen 3.408 N/A LYS 344.A N ASP 349.A OD2 no hydrogen 2.325 N/A LYS 344.A NZ CYS 342.A O no hydrogen 2.401 N/A PHE 350.A N THR 346.A O no hydrogen 3.054 N/A LEU 351.A N MET 347.A O no hydrogen 2.907 N/A THR 352.A N ASP 348.A O no hydrogen 2.889 N/A THR 352.A OG1 ASP 348.A O no hydrogen 2.349 N/A ALA 353.A N ASP 349.A O no hydrogen 2.851 N/A HIS 354.A N PHE 350.A O no hydrogen 3.024 N/A HIS 355.A N LEU 351.A O no hydrogen 2.876 N/A GLU 356.A N THR 352.A O no hydrogen 2.903 N/A MET 357.A N ALA 353.A O no hydrogen 2.887 N/A GLY 358.A N HIS 354.A O no hydrogen 2.927 N/A HIS 359.A N HIS 355.A O no hydrogen 2.950 N/A HIS 359.A ND1 HIS 382.A ND1 no hydrogen 2.942 N/A HIS 359.A NE2 HIS 355.A NE2 no hydrogen 2.903 N/A ILE 360.A N GLU 356.A O no hydrogen 2.912 N/A GLN 361.A N MET 357.A O no hydrogen 2.925 N/A GLN 361.A NE2 PRO 302.A O no hydrogen 2.699 N/A TYR 362.A N GLY 358.A O no hydrogen 2.930 N/A ASP 363.A N HIS 359.A O no hydrogen 2.895 N/A MET 364.A N ILE 360.A O no hydrogen 2.918 N/A ALA 365.A N TYR 362.A O no hydrogen 3.263 N/A ALA 367.A N MET 364.A O no hydrogen 3.319 N/A GLN 369.A N TYR 366.A O no hydrogen 3.134 N/A GLN 369.A NE2 ARG 540.A O no hydrogen 3.225 N/A LEU 373.A N PRO 370.A O no hydrogen 3.046 N/A ARG 374.A N PHE 371.A O no hydrogen 3.136 N/A ARG 374.A NE GLN 369.A O no hydrogen 2.880 N/A ARG 374.A NH2 GLN 369.A O no hydrogen 3.234 N/A ASN 375.A N LEU 373.A O no hydrogen 3.101 N/A GLY 376.A N ASN 375.A OD1 no hydrogen 2.675 N/A VAL 385.A N PHE 381.A O no hydrogen 2.920 N/A GLY 386.A N HIS 382.A O no hydrogen 2.950 N/A GLU 387.A N GLU 383.A O no hydrogen 2.871 N/A GLU 387.A N ALA 384.A O no hydrogen 3.204 N/A ILE 388.A N ALA 384.A O no hydrogen 2.970 N/A SER 390.A OG GLU 387.A O no hydrogen 2.632 N/A LEU 391.A N GLU 387.A O no hydrogen 2.924 N/A SER 392.A N ILE 388.A O no hydrogen 2.889 N/A ALA 393.A N MET 389.A O no hydrogen 2.906 N/A LEU 399.A N THR 395.A O no hydrogen 3.421 N/A LYS 400.A N PRO 396.A O no hydrogen 2.897 N/A SER 401.A N LYS 397.A O no hydrogen 2.922 N/A SER 401.A OG LYS 397.A O no hydrogen 3.315 N/A SER 401.A OG HIS 398.A O no hydrogen 2.936 N/A ILE 402.A N HIS 398.A O no hydrogen 2.894 N/A ILE 402.A N LEU 399.A O no hydrogen 3.357 N/A GLY 403.A N LYS 400.A O no hydrogen 3.438 N/A SER 406.A OG ASP 408.A OD1 no hydrogen 2.451 N/A PHE 409.A N PRO 407.A O no hydrogen 2.670 N/A GLU 411.A N GLU 411.A OE1 no hydrogen 2.778 N/A ASN 413.A N ASN 413.A OD1 no hydrogen 2.497 N/A THR 415.A N ASP 412.A O no hydrogen 3.222 N/A THR 415.A OG1 ASP 412.A O no hydrogen 2.817 N/A ILE 417.A N ASN 413.A O no hydrogen 2.902 N/A ASN 418.A N GLU 414.A O no hydrogen 2.919 N/A ASN 418.A ND2 PHE 266.A O no hydrogen 3.448 N/A PHE 419.A N THR 415.A O no hydrogen 2.903 N/A LEU 420.A N GLU 416.A O no hydrogen 2.900 N/A LEU 421.A N ILE 417.A O no hydrogen 2.914 N/A LYS 422.A N ASN 418.A O no hydrogen 2.932 N/A GLN 423.A N PHE 419.A O no hydrogen 2.941 N/A ALA 424.A N LEU 420.A O no hydrogen 2.871 N/A LEU 425.A N LEU 421.A O no hydrogen 2.943 N/A THR 426.A N GLN 423.A O no hydrogen 3.244 N/A THR 426.A OG1 LYS 422.A O no hydrogen 3.555 N/A ILE 427.A N GLN 423.A O no hydrogen 2.935 N/A VAL 428.A N ALA 424.A O no hydrogen 2.884 N/A GLY 429.A N ALA 424.A O no hydrogen 3.393 N/A THR 430.A OG1 ARG 254.A O no hydrogen 3.275 N/A THR 434.A N THR 430.A O no hydrogen 3.106 N/A THR 434.A OG1 THR 430.A O no hydrogen 3.074 N/A TYR 435.A N LEU 431.A O no hydrogen 2.978 N/A TYR 435.A OH GLU 208.A OE1 no hydrogen 2.294 N/A TYR 435.A OH GLU 208.A OE2 no hydrogen 3.183 N/A MET 436.A N PRO 432.A O no hydrogen 2.904 N/A LEU 437.A N PHE 433.A O no hydrogen 2.924 N/A GLU 438.A N THR 434.A O no hydrogen 3.015 N/A LYS 439.A N TYR 435.A O no hydrogen 2.941 N/A TRP 440.A N MET 436.A O no hydrogen 2.939 N/A ARG 441.A N LEU 437.A O no hydrogen 2.982 N/A ARG 441.A NH1 TYR 491.A O no hydrogen 2.992 N/A ARG 441.A NH2 GLU 438.A OE1 no hydrogen 3.535 N/A ARG 441.A NH2 TYR 491.A O no hydrogen 2.565 N/A TRP 442.A N GLU 438.A O no hydrogen 2.916 N/A MET 443.A N LYS 439.A O no hydrogen 3.003 N/A VAL 444.A N TRP 440.A O no hydrogen 2.928 N/A PHE 445.A N ARG 441.A O no hydrogen 2.952 N/A LYS 446.A N TRP 442.A O no hydrogen 2.927 N/A LYS 446.A NZ GLU 448.A OE2 no hydrogen 2.951 N/A GLY 447.A N VAL 444.A O no hydrogen 3.376 N/A ILE 449.A N MET 443.A O no hydrogen 3.419 N/A GLN 453.A N PRO 450.A O no hydrogen 3.048 N/A LYS 456.A N GLU 476.A OE2 no hydrogen 3.401 N/A LYS 456.A NZ GLU 460.A OE2 no hydrogen 3.377 N/A LYS 457.A N GLN 453.A O no hydrogen 2.923 N/A LYS 457.A NZ GLN 453.A OE1 no hydrogen 2.963 N/A TRP 458.A N TRP 454.A O no hydrogen 2.992 N/A TRP 459.A N MET 455.A O no hydrogen 3.049 N/A GLU 460.A N LYS 456.A O no hydrogen 3.025 N/A MET 461.A N LYS 457.A O no hydrogen 3.000 N/A LYS 462.A N TRP 458.A O no hydrogen 3.184 N/A ARG 463.A N TRP 459.A O no hydrogen 3.041 N/A ARG 463.A N GLU 460.A O no hydrogen 2.991 N/A ARG 463.A NE GLU 470.A OE1 no hydrogen 3.476 N/A ARG 463.A NH2 GLU 470.A OE1 no hydrogen 3.568 N/A ARG 463.A NH2 GLU 470.A OE2 no hydrogen 3.480 N/A ARG 463.A NH2 SER 592.A OG no hydrogen 3.372 N/A GLU 464.A N MET 461.A O no hydrogen 2.960 N/A ILE 465.A N MET 461.A O no hydrogen 2.775 N/A GLY 467.A N LYS 462.A O no hydrogen 2.995 N/A VAL 468.A N LYS 462.A O no hydrogen 2.825 N/A VAL 469.A N LEU 243.A O no hydrogen 2.928 N/A GLU 470.A N GLU 470.A OE1 no hydrogen 2.769 N/A THR 477.A N ASP 475.A OD2 no hydrogen 3.435 N/A THR 477.A OG1 ASP 475.A OD2 no hydrogen 2.501 N/A ALA 482.A N CYS 479.A O no hydrogen 2.831 N/A SER 483.A N ASP 480.A O no hydrogen 2.945 N/A SER 483.A OG ASP 480.A O no hydrogen 3.083 N/A LEU 484.A N PRO 481.A O no hydrogen 3.248 N/A HIS 486.A NE2 TYR 496.A OH no hydrogen 2.925 N/A SER 488.A OG LEU 484.A O no hydrogen 3.414 N/A SER 488.A OG ASN 489.A OD1 no hydrogen 3.018 N/A ASP 490.A N VAL 487.A O no hydrogen 3.362 N/A TYR 491.A N HIS 486.A O no hydrogen 2.920 N/A PHE 493.A N GLU 438.A OE1 no hydrogen 2.701 N/A TYR 496.A OH HIS 486.A NE2 no hydrogen 2.925 N/A TYR 497.A N ILE 494.A O no hydrogen 3.085 N/A TYR 497.A OH THR 210.A OG1 no hydrogen 2.902 N/A THR 498.A N ILE 494.A O no hydrogen 3.040 N/A THR 498.A OG1 ILE 494.A O no hydrogen 3.561 N/A THR 498.A OG1 ARG 495.A O no hydrogen 3.287 N/A ARG 499.A N ARG 495.A O no hydrogen 2.882 N/A THR 500.A OG1 TYR 496.A O no hydrogen 2.575 N/A LEU 501.A N TYR 497.A O no hydrogen 3.095 N/A TYR 502.A N THR 498.A O no hydrogen 2.888 N/A GLN 503.A N ARG 499.A O no hydrogen 2.917 N/A GLN 505.A N LEU 501.A O no hydrogen 3.060 N/A PHE 506.A N TYR 502.A O no hydrogen 2.890 N/A GLN 507.A N GLN 503.A O no hydrogen 2.909 N/A GLU 508.A N PHE 504.A O no hydrogen 2.926 N/A ALA 509.A N GLN 505.A O no hydrogen 2.957 N/A LEU 510.A N PHE 506.A O no hydrogen 2.890 N/A CYS 511.A N GLN 507.A O no hydrogen 2.921 N/A CYS 511.A SG GLN 507.A O no hydrogen 3.116 N/A GLN 512.A N GLU 508.A O no hydrogen 2.911 N/A ALA 513.A N ALA 509.A O no hydrogen 2.912 N/A ALA 514.A N LEU 510.A O no hydrogen 2.910 N/A LYS 515.A N GLN 512.A O no hydrogen 3.329 N/A LYS 515.A NZ GLN 512.A O no hydrogen 3.478 N/A HIS 516.A N CYS 511.A O no hydrogen 3.299 N/A LEU 520.A N GLY 518.A O no hydrogen 2.937 N/A LYS 522.A NZ GLU 416.A OE2 no hydrogen 2.361 N/A SER 526.A N ASP 524.A OD1 no hydrogen 3.141 N/A SER 526.A OG ASP 524.A OD2 no hydrogen 3.293 N/A SER 528.A OG ILE 525.A O no hydrogen 2.396 N/A GLU 530.A N GLU 530.A OE1 no hydrogen 2.600 N/A GLY 532.A N SER 528.A O no hydrogen 3.280 N/A GLN 533.A N THR 529.A O no hydrogen 2.911 N/A LYS 534.A N GLU 530.A O no hydrogen 2.905 N/A LEU 535.A N ALA 531.A O no hydrogen 2.933 N/A PHE 536.A N GLY 532.A O no hydrogen 2.879 N/A ASN 537.A N GLN 533.A O no hydrogen 2.909 N/A MET 538.A N LEU 535.A O no hydrogen 3.119 N/A LEU 539.A N LEU 535.A O no hydrogen 2.911 N/A ARG 540.A N PHE 536.A O no hydrogen 3.440 N/A SER 544.A N LEU 541.A O no hydrogen 3.438 N/A SER 544.A OG GLN 369.A OE1 no hydrogen 2.434 N/A SER 544.A OG LEU 541.A O no hydrogen 3.132 N/A TRP 547.A NE1 TYR 188.A O no hydrogen 3.388 N/A ALA 550.A N PRO 546.A O no hydrogen 3.345 N/A LEU 551.A N TRP 547.A O no hydrogen 2.899 N/A GLU 552.A N THR 548.A O no hydrogen 2.916 N/A ASN 553.A N LEU 549.A O no hydrogen 3.110 N/A ASN 553.A N ALA 550.A O no hydrogen 3.237 N/A VAL 554.A N LEU 551.A O no hydrogen 3.042 N/A VAL 555.A N LEU 551.A O no hydrogen 2.841 N/A GLY 556.A N GLU 552.A O no hydrogen 3.160 N/A ASN 561.A N GLN 505.A OE1 no hydrogen 3.070 N/A LEU 566.A N VAL 562.A O no hydrogen 3.297 N/A ASN 567.A N ARG 563.A O no hydrogen 2.900 N/A TYR 568.A N PRO 564.A O no hydrogen 2.876 N/A PHE 569.A N LEU 565.A O no hydrogen 2.982 N/A PHE 573.A N PHE 569.A O no hydrogen 2.987 N/A THR 574.A N GLU 570.A O no hydrogen 2.915 N/A THR 574.A OG1 GLU 570.A O no hydrogen 3.167 N/A TRP 575.A N PRO 571.A O no hydrogen 2.984 N/A LEU 576.A N LEU 572.A O no hydrogen 2.867 N/A LYS 577.A N PHE 573.A O no hydrogen 2.917 N/A ASP 578.A N THR 574.A O no hydrogen 2.956 N/A GLN 579.A N TRP 575.A O no hydrogen 2.900 N/A ASN 580.A ND2 HIS 220.A O no hydrogen 3.432 N/A LYS 581.A NZ ASP 578.A O no hydrogen 2.518 N/A SER 588.A OG ASP 590.A OD1 no hydrogen 2.532 N/A SER 592.A OG ASP 590.A O no hydrogen 3.565 N/A TYR 594.A OH GLU 470.A OE2 no hydrogen 3.352 N/A ALA 595.A N SER 592.A O no hydrogen 3.239 N/A SER 598.A OG TYR 594.A O no hydrogen 2.643 N/A ILE 599.A N PHE 664.A O no hydrogen 2.904 N/A VAL 601.A N PHE 662.A O no hydrogen 2.875 N/A ARG 602.A N GLU 704.A O no hydrogen 3.135 N/A ARG 602.A NH1 GLU 704.A OE2 no hydrogen 3.089 N/A ILE 603.A N ILE 660.A O no hydrogen 2.934 N/A SER 604.A N SER 702.A O no hydrogen 2.959 N/A SER 607.A OG SER 604.A O no hydrogen 3.326 N/A LEU 609.A N LEU 605.A O no hydrogen 2.929 N/A GLY 610.A N LYS 606.A O no hydrogen 2.662 N/A LYS 612.A N ASP 611.A OD1 no hydrogen 3.154 N/A LYS 612.A NZ ASP 611.A O no hydrogen 3.175 N/A TYR 614.A OH PHE 696.A O no hydrogen 2.589 N/A MET 621.A N ASN 617.A O no hydrogen 3.210 N/A TYR 622.A N ASP 618.A O no hydrogen 2.932 N/A LEU 623.A N ASN 619.A O no hydrogen 2.958 N/A PHE 624.A N GLU 620.A O no hydrogen 2.916 N/A ARG 625.A N MET 621.A O no hydrogen 2.953 N/A ARG 625.A NH1 GLU 648.A O no hydrogen 3.466 N/A SER 626.A N TYR 622.A O no hydrogen 2.964 N/A SER 626.A OG TYR 622.A O no hydrogen 2.774 N/A SER 627.A N LEU 623.A O no hydrogen 2.926 N/A SER 627.A OG LEU 623.A O no hydrogen 2.539 N/A VAL 628.A N PHE 624.A O no hydrogen 2.974 N/A ALA 629.A N ARG 625.A O no hydrogen 2.963 N/A TYR 630.A N SER 626.A O no hydrogen 2.930 N/A ALA 631.A N SER 627.A O no hydrogen 2.950 N/A MET 632.A N VAL 628.A O no hydrogen 2.979 N/A ARG 633.A N ALA 629.A O no hydrogen 2.946 N/A ARG 633.A NE PHE 646.A O no hydrogen 2.713 N/A ARG 633.A NH2 PHE 646.A O no hydrogen 2.924 N/A GLN 634.A N TYR 630.A O no hydrogen 2.949 N/A TYR 635.A N ALA 631.A O no hydrogen 2.970 N/A PHE 636.A N MET 632.A O no hydrogen 2.976 N/A LEU 637.A N ARG 633.A O no hydrogen 2.957 N/A LYS 638.A N GLN 634.A O no hydrogen 2.928 N/A GLN 642.A N PHE 636.A O no hydrogen 3.347 N/A GLY 647.A N ASP 650.A OD2 no hydrogen 2.878 N/A ARG 652.A N PHE 665.A O no hydrogen 2.882 N/A ALA 654.A N ASN 663.A O no hydrogen 2.887 N/A ASN 655.A ND2 ASN 663.A OD1 no hydrogen 3.560 N/A ARG 659.A NH1 SER 604.A OG no hydrogen 2.924 N/A ARG 659.A NH2 SER 604.A OG no hydrogen 3.205 N/A ILE 660.A N LYS 657.A O no hydrogen 2.785 N/A PHE 662.A N VAL 601.A O no hydrogen 2.941 N/A ASN 663.A N ALA 654.A O no hydrogen 2.928 N/A PHE 664.A N ILE 599.A O no hydrogen 2.922 N/A PHE 665.A N ARG 652.A O no hydrogen 2.937 N/A THR 667.A N ASP 650.A O no hydrogen 3.093 N/A THR 667.A OG1 ALA 668.A O no hydrogen 3.391 N/A ALA 668.A N ASP 674.A O no hydrogen 3.141 N/A SER 673.A OG ASN 140.A OD1 no hydrogen 2.978 N/A ILE 676.A N VAL 666.A O no hydrogen 2.998 N/A ARG 678.A N GLN 597.A OE1 no hydrogen 3.050 N/A ARG 678.A NE SER 598.A O no hydrogen 3.358 N/A THR 679.A OG1 GLU 680.A OE1 no hydrogen 2.374 N/A VAL 681.A N PRO 677.A O no hydrogen 3.518 N/A GLU 682.A N ARG 678.A O no hydrogen 2.907 N/A LYS 683.A N THR 679.A O no hydrogen 2.943 N/A ALA 684.A N GLU 680.A O no hydrogen 2.922 N/A ILE 685.A N VAL 681.A O no hydrogen 2.938 N/A ARG 686.A N GLU 682.A O no hydrogen 2.902 N/A MET 687.A N LYS 683.A O no hydrogen 2.931 N/A SER 688.A N ALA 684.A O no hydrogen 2.999 N/A ARG 689.A NH1 ILE 708.A O no hydrogen 3.182 N/A ARG 689.A NH2 LEU 703.A O no hydrogen 3.266 N/A ILE 692.A N SER 688.A O no hydrogen 2.999 N/A ASN 693.A N ARG 689.A O no hydrogen 2.872 N/A ASP 694.A N SER 690.A O no hydrogen 2.945 N/A ALA 695.A N ARG 691.A O no hydrogen 2.971 N/A PHE 696.A N ASN 693.A O no hydrogen 3.035 N/A LEU 698.A N ASN 693.A O no hydrogen 3.273 N/A ASN 699.A N SER 702.A OG no hydrogen 3.299 N/A ASN 701.A ND2 ASN 699.A O no hydrogen 2.671 N/A GLU 704.A N ARG 602.A O no hydrogen 3.249 N/A LEU 724.A N SER 721.A O no hydrogen 2.729 N/A VAL 726.A N ILE 722.A O no hydrogen 2.987 N/A PHE 727.A N TRP 723.A O no hydrogen 2.892 N/A GLY 728.A N LEU 724.A O no hydrogen 2.883 N/A VAL 729.A N ILE 725.A O no hydrogen 2.953 N/A VAL 730.A N VAL 726.A O no hydrogen 2.966 N/A MET 731.A N PHE 727.A O no hydrogen 2.852 N/A GLY 732.A N GLY 728.A O no hydrogen 2.928 N/A VAL 733.A N VAL 729.A O no hydrogen 2.957 N/A ILE 734.A N VAL 730.A O no hydrogen 2.894 N/A VAL 735.A N MET 731.A O no hydrogen 2.892 N/A VAL 736.A N GLY 732.A O no hydrogen 2.965 N/A GLY 737.A N VAL 733.A O no hydrogen 3.057 N/A ILE 738.A N ILE 734.A O no hydrogen 2.895 N/A VAL 739.A N VAL 735.A O no hydrogen 2.917 N/A ILE 740.A N VAL 736.A O no hydrogen 2.944 N/A LEU 741.A N GLY 737.A O no hydrogen 2.905 N/A ILE 742.A N ILE 738.A O no hydrogen 2.921 N/A PHE 743.A N VAL 739.A O no hydrogen 2.915 N/A THR 744.A N ILE 740.A O no hydrogen 2.929 N/A THR 744.A OG1 ILE 740.A O no hydrogen 2.470 N/A GLY 745.A N LEU 741.A O no hydrogen 2.889 N/A ILE 746.A N ILE 742.A O no hydrogen 2.924 N/A ARG 747.A N PHE 743.A O no hydrogen 2.907 N/A ARG 747.A N THR 744.A O no hydrogen 3.261 N/A ARG 747.A NE ASP 748.A OD1 no hydrogen 3.178 N/A ARG 747.A NH2 ASP 748.A OD1 no hydrogen 2.548 N/A ASP 748.A N THR 744.A O no hydrogen 2.966 N/A