Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w3k_U.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N SER 4.A OG no hydrogen 2.944 N/A SER 4.A N GLY 1.A O no hydrogen 3.209 N/A SER 4.A OG GLY 1.A O no hydrogen 2.343 N/A LEU 5.A N ILE 2.A O no hydrogen 3.473 N/A LEU 6.A N ILE 3.A O no hydrogen 3.001 N/A ASP 7.A N SER 4.A O no hydrogen 3.118 N/A ASP 9.A N ASP 9.A OD1 no hydrogen 2.417 N/A GLN 12.A N GLU 10.A OE2 no hydrogen 3.312 N/A LEU 13.A N GLU 10.A OE1 no hydrogen 2.423 N/A LYS 14.A N GLU 10.A O no hydrogen 3.282 N/A LYS 14.A NZ LEU 6.A O no hydrogen 2.624 N/A LYS 14.A NZ GLU 8.A O no hydrogen 3.042 N/A GLU 15.A N PRO 11.A O no hydrogen 2.988 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 3.181 N/A PHE 16.A N GLN 12.A O no hydrogen 2.913 N/A ALA 17.A N LEU 13.A O no hydrogen 2.886 N/A LEU 18.A N LYS 14.A O no hydrogen 2.936 N/A HIS 19.A N GLU 15.A O no hydrogen 2.921 N/A LYS 20.A NZ PHE 16.A O no hydrogen 2.417 N/A LEU 21.A N LEU 18.A O no hydrogen 3.279 N/A PHE 28.A N VAL 24.A O no hydrogen 3.031 N/A ILE 32.A N TRP 29.A O no hydrogen 3.182 N/A SER 33.A N TRP 29.A O no hydrogen 2.890 N/A SER 33.A OG TRP 29.A O no hydrogen 2.542 N/A GLU 34.A N ALA 30.A O no hydrogen 2.962 N/A SER 35.A N ILE 32.A O no hydrogen 2.925 N/A SER 35.A OG SER 35.A O no hydrogen 2.301 N/A LYS 38.A NZ ASP 7.A OD1 no hydrogen 2.397 N/A ILE 39.A N SER 35.A O no hydrogen 3.445 N/A GLU 40.A N VAL 36.A O no hydrogen 2.909 N/A VAL 41.A N ASP 37.A O no hydrogen 2.889 N/A LEU 42.A N LYS 38.A O no hydrogen 2.908 N/A TYR 43.A N ILE 39.A O no hydrogen 2.898 N/A GLU 44.A N GLU 40.A O no hydrogen 2.897 N/A ASP 45.A N VAL 41.A O no hydrogen 2.898 N/A GLY 47.A N ASP 45.A OD1 no hydrogen 3.319 N/A PHE 48.A N ASP 45.A O no hydrogen 3.375 N/A SER 50.A OG GLU 15.A OE2 no hydrogen 3.129 N/A ALA 54.A N SER 50.A O no hydrogen 3.345 N/A ALA 55.A N ARG 51.A O no hydrogen 2.874 N/A LEU 56.A N GLN 52.A O no hydrogen 2.917 N/A VAL 57.A N PHE 53.A O no hydrogen 2.967 N/A ALA 58.A N ALA 54.A O no hydrogen 2.901 N/A SER 59.A N ALA 55.A O no hydrogen 2.890 N/A SER 59.A OG ALA 55.A O no hydrogen 2.994 N/A SER 59.A OG SER 71.A O no hydrogen 2.737 N/A LYS 60.A N LEU 56.A O no hydrogen 2.898 N/A VAL 61.A N VAL 57.A O no hydrogen 2.918 N/A PHE 62.A N ALA 58.A O no hydrogen 2.923 N/A TYR 63.A N SER 59.A O no hydrogen 2.863 N/A HIS 64.A N LYS 60.A O no hydrogen 2.957 N/A LEU 65.A N VAL 61.A O no hydrogen 2.903 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.739 N/A SER 71.A N ALA 67.A O no hydrogen 3.235 N/A SER 71.A OG SER 59.A O no hydrogen 2.354 N/A SER 71.A OG ALA 67.A O no hydrogen 3.510 N/A LEU 72.A N PHE 68.A O no hydrogen 2.885 N/A ASN 73.A N GLU 69.A O no hydrogen 2.903 N/A TYR 74.A N GLU 70.A O no hydrogen 2.915 N/A ALA 75.A N SER 71.A O no hydrogen 2.908 N/A LEU 76.A N LEU 72.A O no hydrogen 2.886 N/A GLY 77.A N ASN 73.A O no hydrogen 2.888 N/A ALA 78.A N TYR 74.A O no hydrogen 2.904 N/A GLY 79.A N ALA 75.A O no hydrogen 2.896 N/A PHE 82.A N GLY 79.A O no hydrogen 3.250 N/A ASP 86.A N ASP 86.A OD1 no hydrogen 2.443 N/A GLU 92.A N SER 88.A O no hydrogen 3.014 N/A THR 93.A N GLU 89.A O no hydrogen 2.967 N/A THR 93.A OG1 GLU 89.A O no hydrogen 2.956 N/A THR 93.A OG1 TYR 90.A O no hydrogen 2.493 N/A ILE 94.A N TYR 90.A O no hydrogen 3.000 N/A ILE 95.A N VAL 91.A O no hydrogen 2.886 N/A ALA 96.A N GLU 92.A O no hydrogen 2.971 N/A LYS 97.A N THR 93.A O no hydrogen 2.975 N/A CYS 98.A N ILE 94.A O no hydrogen 2.861 N/A ILE 99.A N ILE 95.A O no hydrogen 2.866 N/A ASP 100.A N ALA 96.A O no hydrogen 3.011 N/A HIS 101.A N LYS 97.A O no hydrogen 2.876 N/A TYR 102.A N CYS 98.A O no hydrogen 2.838 N/A THR 103.A N ILE 99.A O no hydrogen 2.957 N/A THR 103.A OG1 GLU 150.A O no hydrogen 2.462 N/A LYS 104.A N ASP 100.A O no hydrogen 2.954 N/A LYS 104.A NZ GLU 108.A OE1 no hydrogen 3.062 N/A GLN 105.A N HIS 101.A O no hydrogen 2.866 N/A CYS 106.A N TYR 102.A O no hydrogen 2.886 N/A CYS 106.A SG TYR 102.A O no hydrogen 3.675 N/A CYS 106.A SG THR 151.A O no hydrogen 3.854 N/A VAL 107.A N THR 103.A O no hydrogen 2.937 N/A GLU 108.A N LYS 104.A O no hydrogen 2.921 N/A ASN 109.A N GLN 105.A O no hydrogen 2.901 N/A ASN 109.A ND2 GLN 105.A O no hydrogen 2.706 N/A ALA 110.A N CYS 106.A O no hydrogen 2.922 N/A ASP 111.A N VAL 107.A O no hydrogen 2.925 N/A LYS 117.A NZ PRO 113.A O no hydrogen 3.039 N/A LYS 118.A NZ GLN 105.A OE1 no hydrogen 3.208 N/A GLN 122.A N ASP 121.A OD1 no hydrogen 2.895 N/A GLY 126.A N GLN 122.A O no hydrogen 2.883 N/A ILE 127.A N ARG 123.A O no hydrogen 2.908 N/A VAL 128.A N LEU 124.A O no hydrogen 2.992 N/A ASN 129.A N GLU 125.A O no hydrogen 2.884 N/A LYS 130.A N GLY 126.A O no hydrogen 2.913 N/A MET 131.A N ILE 127.A O no hydrogen 2.953 N/A PHE 132.A N VAL 128.A O no hydrogen 2.887 N/A GLN 133.A N ASN 129.A O no hydrogen 2.843 N/A ARG 134.A N LYS 130.A O no hydrogen 2.884 N/A CYS 135.A N MET 131.A O no hydrogen 2.930 N/A CYS 135.A SG MET 131.A O no hydrogen 3.283 N/A LEU 136.A N PHE 132.A O no hydrogen 2.929 N/A ASP 137.A N GLN 133.A O no hydrogen 2.841 N/A ASP 138.A N CYS 135.A O no hydrogen 3.255 N/A HIS 139.A N LEU 136.A O no hydrogen 3.282 N/A HIS 139.A ND1 HIS 139.A O no hydrogen 2.869 N/A ILE 147.A N GLN 143.A O no hydrogen 2.952 N/A ALA 148.A N ALA 144.A O no hydrogen 2.884 N/A LEU 149.A N GLY 146.A O no hydrogen 3.368 N/A GLU 150.A N ILE 147.A O no hydrogen 3.126 N/A PHE 157.A N LEU 154.A O no hydrogen 3.143 N/A LYS 159.A N ASP 155.A O no hydrogen 2.861 N/A THR 160.A N VAL 156.A O no hydrogen 2.917 N/A THR 160.A OG1 PHE 157.A O no hydrogen 2.344 N/A ILE 161.A N GLU 158.A O no hydrogen 3.084 N/A LEU 162.A N GLU 158.A O no hydrogen 2.539 N/A GLU 163.A N LYS 159.A O no hydrogen 3.378 N/A ASP 166.A N SER 164.A O no hydrogen 2.750 N/A MET 170.A N VAL 167.A O no hydrogen 3.156 N/A TYR 173.A OH LYS 142.A O no hydrogen 3.375 N/A SER 174.A N MET 170.A O no hydrogen 2.898 N/A SER 174.A OG LEU 171.A O no hydrogen 2.650 N/A LEU 175.A N LEU 171.A O no hydrogen 2.897 N/A LYS 176.A N ALA 172.A O no hydrogen 2.863 N/A LEU 177.A N TYR 173.A O no hydrogen 2.934 N/A CYS 178.A N SER 174.A O no hydrogen 2.922 N/A MET 179.A N LEU 175.A O no hydrogen 2.856 N/A SER 180.A N LYS 176.A O no hydrogen 3.406 N/A LEU 181.A N LEU 177.A O no hydrogen 3.173 N/A MET 182.A N LEU 177.A O no hydrogen 3.330 N/A LYS 185.A NZ GLN 183.A OE1 no hydrogen 3.559 N/A GLN 186.A N ASN 184.A OD1 no hydrogen 3.458 N/A ARG 188.A N ASN 184.A O no hydrogen 3.186 N/A ARG 188.A NE CYS 178.A O no hydrogen 3.088 N/A ARG 188.A NH2 MET 179.A O no hydrogen 3.204 N/A ASN 189.A N LYS 185.A O no hydrogen 2.945 N/A LYS 190.A N PHE 187.A O no hydrogen 3.278 N/A LEU 192.A N ARG 188.A O no hydrogen 2.858 N/A ARG 193.A N ASN 189.A O no hydrogen 2.896 N/A VAL 194.A N LYS 190.A O no hydrogen 2.985 N/A LEU 195.A N VAL 191.A O no hydrogen 2.896 N/A VAL 196.A N LEU 192.A O no hydrogen 2.990 N/A LYS 197.A N ARG 193.A O no hydrogen 2.895 N/A ILE 198.A N VAL 194.A O no hydrogen 2.914 N/A TYR 199.A N LEU 195.A O no hydrogen 2.942 N/A TYR 199.A N VAL 196.A O no hydrogen 3.308 N/A MET 200.A N VAL 196.A O no hydrogen 3.254 N/A LEU 202.A N ILE 198.A O no hydrogen 3.003 N/A PHE 207.A N ASP 206.A OD1 no hydrogen 2.559 N/A ILE 208.A N ASP 206.A OD1 no hydrogen 3.384 N/A VAL 210.A N ASN 209.A OD1 no hydrogen 2.622 N/A CYS 211.A N PHE 207.A O no hydrogen 3.083 N/A CYS 211.A SG GLN 212.A OE1 no hydrogen 3.247 N/A CYS 211.A SG ASP 245.A O no hydrogen 3.982 N/A GLN 212.A N ILE 208.A O no hydrogen 2.954 N/A CYS 213.A SG ASN 209.A O no hydrogen 3.163 N/A LEU 214.A N ASN 209.A O no hydrogen 2.845 N/A PHE 216.A N GLN 212.A O no hydrogen 2.919 N/A LEU 217.A N CYS 213.A O no hydrogen 2.941 N/A GLN 221.A N GLN 221.A OE1 no hydrogen 2.724 N/A VAL 223.A N ASP 219.A O no hydrogen 3.505 N/A SER 224.A N PRO 220.A O no hydrogen 2.925 N/A SER 224.A OG PRO 220.A O no hydrogen 3.264 N/A SER 224.A OG GLN 221.A O no hydrogen 2.734 N/A ASP 225.A N GLN 221.A O no hydrogen 2.870 N/A ILE 226.A N ALA 222.A O no hydrogen 2.961 N/A LEU 227.A N VAL 223.A O no hydrogen 2.888 N/A GLU 228.A N SER 224.A O no hydrogen 2.899 N/A LYS 229.A N ASP 225.A O no hydrogen 2.892 N/A LEU 230.A N ILE 226.A O no hydrogen 2.923 N/A VAL 231.A N LEU 227.A O no hydrogen 2.900 N/A LYS 232.A N GLU 228.A O no hydrogen 2.937 N/A LYS 232.A N LYS 229.A O no hydrogen 3.205 N/A ASP 234.A N VAL 231.A O no hydrogen 2.801 N/A ASN 235.A N LEU 230.A O no hydrogen 3.014 N/A MET 238.A N ASN 235.A OD1 no hydrogen 3.151 N/A ALA 239.A N ASN 235.A O no hydrogen 3.224 N/A TYR 240.A N LEU 236.A O no hydrogen 2.881 N/A TYR 240.A OH LYS 738.A O no hydrogen 3.307 N/A GLN 241.A N LEU 237.A O no hydrogen 2.965 N/A GLN 241.A NE2 ASP 245.A OD1 no hydrogen 3.178 N/A GLN 241.A NE2 ASP 245.A OD2 no hydrogen 2.967 N/A ILE 242.A N MET 238.A O no hydrogen 2.899 N/A CYS 243.A N ALA 239.A O no hydrogen 2.879 N/A CYS 243.A SG ALA 239.A O no hydrogen 3.192 N/A PHE 244.A N TYR 240.A O no hydrogen 3.025 N/A ASP 245.A N GLN 241.A O no hydrogen 2.923 N/A LEU 246.A N ILE 242.A O no hydrogen 2.854 N/A TYR 247.A N CYS 243.A O no hydrogen 2.886 N/A GLU 248.A N PHE 244.A O no hydrogen 2.979 N/A SER 249.A N ASP 245.A O no hydrogen 2.897 N/A SER 249.A OG GLN 212.A OE1 no hydrogen 2.480 N/A ALA 250.A N LEU 246.A O no hydrogen 2.757 N/A SER 251.A OG GLN 252.A O no hydrogen 3.328 N/A SER 257.A OG PHE 254.A O no hydrogen 2.349 N/A VAL 258.A N PHE 254.A O no hydrogen 3.028 N/A ILE 259.A N LEU 255.A O no hydrogen 2.932 N/A GLN 260.A N SER 256.A O no hydrogen 2.939 N/A ASN 261.A N SER 257.A O no hydrogen 2.943 N/A LEU 262.A N VAL 258.A O no hydrogen 2.851 N/A ARG 263.A N ILE 259.A O no hydrogen 2.934 N/A ARG 263.A NE GLN 260.A OE1 no hydrogen 2.751 N/A THR 264.A OG1 GLN 260.A O no hydrogen 3.191 N/A THR 264.A OG1 ASN 261.A O no hydrogen 2.928 N/A GLN 266.A N GLN 266.A OE1 no hydrogen 2.730 N/A MET 270.A N GLN 266.A O no hydrogen 2.932 N/A ILE 271.A N THR 267.A O no hydrogen 2.949 N/A LYS 272.A N LEU 268.A O no hydrogen 2.898 N/A LYS 272.A NZ LEU 268.A O no hydrogen 2.895 N/A ILE 273.A N LYS 269.A O no hydrogen 2.941 N/A LEU 274.A N MET 270.A O no hydrogen 2.920 N/A SER 275.A N ILE 271.A O no hydrogen 2.930 N/A SER 275.A OG LYS 272.A O no hydrogen 2.321 N/A SER 275.A OG GLU 277.A OE1 no hydrogen 2.559 N/A GLY 276.A N LYS 272.A O no hydrogen 3.176 N/A GLU 277.A N GLU 277.A OE1 no hydrogen 2.919 N/A ILE 280.A N GLY 276.A O no hydrogen 3.461 N/A GLU 281.A N GLU 277.A O no hydrogen 2.962 N/A LEU 282.A N MET 278.A O no hydrogen 2.873 N/A HIS 283.A N ALA 279.A O no hydrogen 2.925 N/A LEU 284.A N ILE 280.A O no hydrogen 2.933 N/A GLN 285.A N GLU 281.A O no hydrogen 2.878 N/A PHE 286.A N LEU 282.A O no hydrogen 2.826 N/A LEU 287.A N HIS 283.A O no hydrogen 2.932 N/A ILE 288.A N LEU 284.A O no hydrogen 2.924 N/A ARG 289.A N GLN 285.A O no hydrogen 2.892 N/A ASN 290.A N PHE 286.A O no hydrogen 3.046 N/A ILE 297.A N ASP 294.A OD1 no hydrogen 3.361 N/A LEU 298.A N ASP 294.A O no hydrogen 3.445 N/A LYS 299.A N LEU 295.A O no hydrogen 2.870 N/A ASN 300.A N MET 296.A O no hydrogen 2.905 N/A THR 301.A N ILE 297.A O no hydrogen 2.895 N/A THR 301.A OG1 ILE 297.A O no hydrogen 3.073 N/A THR 301.A OG1 LEU 298.A O no hydrogen 2.631 N/A LYS 302.A N LEU 298.A O no hydrogen 2.894 N/A ASP 303.A N LYS 299.A O no hydrogen 2.886 N/A ALA 304.A N ASN 300.A O no hydrogen 2.918 N/A ALA 304.A N THR 301.A O no hydrogen 3.033 N/A VAL 305.A N LYS 302.A O no hydrogen 3.369 N/A ARG 306.A NE VAL 305.A O no hydrogen 3.110 N/A ARG 306.A NH2 VAL 305.A O no hydrogen 3.306 N/A HIS 311.A N SER 308.A O no hydrogen 3.498 N/A THR 312.A N VAL 309.A O no hydrogen 3.024 N/A THR 312.A OG1 VAL 309.A O no hydrogen 2.389 N/A THR 314.A N CYS 310.A O no hydrogen 2.891 N/A THR 314.A OG1 CYS 310.A O no hydrogen 2.780 N/A THR 314.A OG1 HIS 311.A O no hydrogen 2.703 N/A VAL 315.A N HIS 311.A O no hydrogen 2.914 N/A ILE 316.A N THR 312.A O no hydrogen 2.971 N/A ALA 317.A N ALA 313.A O no hydrogen 2.895 N/A ASN 318.A N THR 314.A O no hydrogen 2.947 N/A SER 319.A OG VAL 315.A O no hydrogen 3.379 N/A SER 319.A OG ILE 316.A O no hydrogen 2.459 N/A PHE 320.A N ILE 316.A O no hydrogen 2.961 N/A MET 321.A N ALA 317.A O no hydrogen 2.947 N/A CYS 323.A SG VAL 355.A O no hydrogen 3.913 N/A GLY 324.A N VAL 355.A O no hydrogen 3.197 N/A THR 325.A N HIS 322.A O no hydrogen 3.217 N/A THR 326.A N ILE 356.A O no hydrogen 3.023 N/A THR 326.A OG1 THR 325.A O no hydrogen 2.550 N/A SER 327.A OG GLN 329.A OE1 no hydrogen 2.801 N/A ARG 332.A N GLN 329.A O no hydrogen 3.370 N/A ARG 332.A NH1 TYR 371.A OH no hydrogen 2.499 N/A ASP 333.A N GLN 329.A O no hydrogen 2.789 N/A ALA 339.A N LEU 335.A O no hydrogen 3.009 N/A THR 348.A OG1 TRP 344.A O no hydrogen 3.468 N/A ALA 349.A N ALA 345.A O no hydrogen 2.904 N/A THR 350.A N LYS 346.A O no hydrogen 2.947 N/A THR 350.A OG1 GLN 383.A O no hydrogen 3.196 N/A ALA 351.A N PHE 347.A O no hydrogen 2.899 N/A SER 352.A N THR 348.A O no hydrogen 2.891 N/A SER 352.A OG THR 348.A O no hydrogen 2.780 N/A LEU 353.A N ALA 349.A O no hydrogen 2.913 N/A GLY 354.A N ALA 351.A O no hydrogen 3.244 N/A ILE 356.A N SER 352.A O no hydrogen 2.918 N/A HIS 357.A N GLY 354.A O no hydrogen 2.944 N/A GLU 363.A N HIS 360.A O no hydrogen 3.135 N/A ALA 364.A N HIS 360.A O no hydrogen 2.982 N/A LEU 367.A N GLU 363.A O no hydrogen 3.097 N/A MET 368.A N ALA 364.A O no hydrogen 2.915 N/A ALA 369.A N LEU 365.A O no hydrogen 2.910 N/A THR 370.A OG1 GLN 366.A O no hydrogen 2.437 N/A THR 370.A OG1 LEU 367.A O no hydrogen 3.096 N/A TYR 371.A N MET 368.A O no hydrogen 3.451 N/A THR 376.A OG1 LEU 372.A O no hydrogen 3.338 N/A SER 380.A N SER 377.A O no hydrogen 3.324 N/A GLY 386.A N TYR 382.A O no hydrogen 2.955 N/A GLY 387.A N GLN 383.A O no hydrogen 2.855 N/A LEU 388.A N GLU 384.A O no hydrogen 2.899 N/A TYR 389.A N GLY 385.A O no hydrogen 2.961 N/A ALA 390.A N GLY 386.A O no hydrogen 2.836 N/A LEU 391.A N GLY 387.A O no hydrogen 2.894 N/A GLY 392.A N LEU 388.A O no hydrogen 2.938 N/A LEU 393.A N TYR 389.A O no hydrogen 2.871 N/A ILE 394.A N ALA 390.A O no hydrogen 2.920 N/A HIS 395.A N LEU 391.A O no hydrogen 3.282 N/A HIS 395.A ND1 LEU 391.A O no hydrogen 3.081 N/A HIS 398.A N HIS 395.A O no hydrogen 3.335 N/A HIS 398.A ND1 ALA 396.A O no hydrogen 2.870 N/A HIS 398.A NE2 SER 275.A O no hydrogen 3.137 N/A ILE 402.A N ASP 401.A OD1 no hydrogen 2.793 N/A ASP 404.A N GLY 400.A O no hydrogen 3.171 N/A TYR 405.A N ASP 401.A O no hydrogen 2.891 N/A LEU 406.A N ILE 402.A O no hydrogen 2.953 N/A LEU 407.A N ILE 403.A O no hydrogen 2.800 N/A ASN 408.A N ASP 404.A O no hydrogen 2.975 N/A GLN 409.A NE2 TYR 405.A OH no hydrogen 3.287 N/A LEU 410.A N LEU 406.A O no hydrogen 2.920 N/A LYS 411.A N LEU 407.A O no hydrogen 2.917 N/A HIS 420.A N ILE 417.A O no hydrogen 3.024 N/A GLY 422.A N VAL 418.A O no hydrogen 2.942 N/A SER 423.A N ARG 419.A O no hydrogen 2.887 N/A SER 423.A OG ARG 419.A O no hydrogen 2.570 N/A SER 423.A OG HIS 420.A O no hydrogen 2.764 N/A LEU 424.A N HIS 420.A O no hydrogen 2.967 N/A GLY 425.A N GLY 421.A O no hydrogen 2.851 N/A LEU 426.A N GLY 422.A O no hydrogen 2.920 N/A GLY 427.A N SER 423.A O no hydrogen 2.908 N/A LEU 428.A N LEU 424.A O no hydrogen 2.901 N/A ALA 429.A N GLY 425.A O no hydrogen 2.900 N/A ALA 430.A N LEU 426.A O no hydrogen 3.363 N/A GLY 432.A N LEU 463.A O no hydrogen 3.225 N/A THR 433.A N ALA 430.A O no hydrogen 3.471 N/A THR 433.A OG1 ALA 430.A O no hydrogen 2.896 N/A ALA 434.A N VAL 464.A O no hydrogen 3.300 N/A TYR 439.A N ARG 435.A O no hydrogen 3.434 N/A ASP 440.A N GLN 436.A O no hydrogen 2.913 N/A LEU 441.A N ASP 437.A O no hydrogen 2.932 N/A LEU 442.A N VAL 438.A O no hydrogen 2.893 N/A LYS 443.A N TYR 439.A O no hydrogen 2.895 N/A THR 444.A N ASP 440.A O no hydrogen 2.949 N/A ASN 445.A N LEU 441.A O no hydrogen 2.918 N/A LEU 446.A N LEU 442.A O no hydrogen 2.876 N/A TYR 447.A N LYS 443.A O no hydrogen 2.883 N/A GLN 448.A N ASN 445.A O no hydrogen 3.380 N/A GLY 454.A N ALA 451.A O no hydrogen 3.148 N/A GLU 455.A N GLU 455.A OE1 no hydrogen 2.800 N/A ALA 457.A N THR 453.A O no hydrogen 2.935 N/A GLY 458.A N GLY 454.A O no hydrogen 2.878 N/A LEU 459.A N GLU 455.A O no hydrogen 2.965 N/A ALA 460.A N ALA 456.A O no hydrogen 2.943 N/A LEU 461.A N ALA 457.A O no hydrogen 2.873 N/A GLY 462.A N GLY 458.A O no hydrogen 2.945 N/A LEU 463.A N LEU 459.A O no hydrogen 2.871 N/A VAL 464.A N ALA 460.A O no hydrogen 2.920 N/A GLY 467.A N VAL 500.A O no hydrogen 3.085 N/A SER 468.A N MET 465.A O no hydrogen 3.041 N/A SER 468.A OG MET 465.A O no hydrogen 3.349 N/A ASN 470.A N SER 468.A OG no hydrogen 3.217 N/A GLN 472.A N ASN 470.A OD1 no hydrogen 3.408 N/A ILE 474.A N ASN 470.A O no hydrogen 3.224 N/A GLU 475.A N ALA 471.A O no hydrogen 2.912 N/A ASP 476.A N GLN 472.A O no hydrogen 2.904 N/A MET 477.A N ALA 473.A O no hydrogen 2.972 N/A VAL 478.A N ILE 474.A O no hydrogen 2.924 N/A GLY 479.A N GLU 475.A O no hydrogen 2.902 N/A TYR 480.A N ASP 476.A O no hydrogen 2.900 N/A ALA 481.A N MET 477.A O no hydrogen 2.956 N/A GLN 482.A N GLY 479.A O no hydrogen 3.463 N/A THR 484.A N TYR 480.A O no hydrogen 3.515 N/A THR 484.A OG1 HIS 486.A ND1 no hydrogen 3.408 N/A LEU 490.A N HIS 486.A O no hydrogen 3.173 N/A ARG 491.A N GLU 487.A O no hydrogen 3.087 N/A GLY 492.A N LYS 488.A O no hydrogen 2.962 N/A LEU 493.A N ILE 489.A O no hydrogen 2.834 N/A ALA 494.A N LEU 490.A O no hydrogen 2.873 N/A VAL 495.A N ARG 491.A O no hydrogen 2.959 N/A GLY 496.A N GLY 492.A O no hydrogen 2.899 N/A ILE 497.A N LEU 493.A O no hydrogen 2.889 N/A ALA 498.A N ALA 494.A O no hydrogen 2.924 N/A LEU 499.A N VAL 495.A O no hydrogen 2.890 N/A ASP 509.A N GLU 506.A O no hydrogen 3.316 N/A ILE 512.A N ALA 508.A O no hydrogen 2.935 N/A GLU 513.A N ASP 509.A O no hydrogen 2.907 N/A SER 514.A N ALA 510.A O no hydrogen 2.915 N/A SER 514.A OG ALA 510.A O no hydrogen 2.850 N/A SER 514.A OG LEU 511.A O no hydrogen 3.087 N/A LEU 515.A N ILE 512.A O no hydrogen 2.914 N/A CYS 516.A N ILE 512.A O no hydrogen 2.569 N/A ASP 518.A N LEU 515.A O no hydrogen 3.249 N/A ASP 520.A N ASP 518.A OD1 no hydrogen 3.367 N/A LEU 523.A N ASP 520.A OD2 no hydrogen 2.781 N/A ARG 524.A NE ASP 520.A O no hydrogen 2.996 N/A ARG 524.A NH2 LYS 519.A O no hydrogen 2.467 N/A ARG 525.A N PRO 521.A O no hydrogen 2.952 N/A SER 526.A N ILE 522.A O no hydrogen 2.926 N/A SER 526.A OG ALA 494.A O no hydrogen 2.626 N/A GLY 527.A N LEU 523.A O no hydrogen 2.904 N/A MET 528.A N ARG 524.A O no hydrogen 2.957 N/A TYR 529.A N ARG 525.A O no hydrogen 2.983 N/A TYR 529.A OH GLU 565.A OE1 no hydrogen 3.154 N/A THR 530.A N SER 526.A O no hydrogen 2.930 N/A THR 530.A OG1 ILE 497.A O no hydrogen 2.484 N/A THR 530.A OG1 SER 526.A O no hydrogen 2.877 N/A VAL 531.A N GLY 527.A O no hydrogen 2.977 N/A ALA 532.A N MET 528.A O no hydrogen 2.888 N/A MET 533.A N TYR 529.A O no hydrogen 2.948 N/A ALA 534.A N THR 530.A O no hydrogen 2.924 N/A TYR 535.A OH ASP 509.A OD1 no hydrogen 2.326 N/A CYS 536.A SG ALA 532.A O no hydrogen 3.697 N/A CYS 536.A SG MET 533.A O no hydrogen 3.285 N/A CYS 536.A SG PHE 569.A O no hydrogen 3.254 N/A ASN 540.A N SER 538.A O no hydrogen 2.787 N/A ILE 544.A N ASN 540.A O no hydrogen 2.806 N/A ARG 545.A N ASN 541.A O no hydrogen 2.870 N/A ARG 546.A N LYS 542.A O no hydrogen 2.923 N/A LEU 547.A N ALA 543.A O no hydrogen 2.929 N/A LEU 548.A N ILE 544.A O no hydrogen 2.847 N/A HIS 549.A N ARG 545.A O no hydrogen 2.865 N/A VAL 550.A N ARG 546.A O no hydrogen 2.954 N/A ALA 551.A N LEU 547.A O no hydrogen 2.954 N/A VAL 552.A N HIS 549.A O no hydrogen 3.198 N/A SER 553.A N HIS 549.A O no hydrogen 2.960 N/A ASN 556.A N ASP 554.A OD2 no hydrogen 2.758 N/A ASP 558.A N ASN 556.A OD1 no hydrogen 3.432 N/A ARG 560.A N ASN 556.A O no hydrogen 3.342 N/A ARG 560.A NH1 ASP 554.A O no hydrogen 2.387 N/A ARG 561.A N ASP 557.A O no hydrogen 2.877 N/A ALA 562.A N ASP 558.A O no hydrogen 2.958 N/A ALA 563.A N VAL 559.A O no hydrogen 2.854 N/A VAL 564.A N ARG 560.A O no hydrogen 2.987 N/A GLU 565.A N ARG 561.A O no hydrogen 2.908 N/A SER 566.A N ALA 562.A O no hydrogen 2.924 N/A SER 566.A OG ALA 562.A O no hydrogen 2.947 N/A GLY 568.A N GLU 565.A O no hydrogen 3.383 N/A ILE 570.A N LEU 567.A O no hydrogen 3.278 N/A LEU 571.A N LEU 567.A O no hydrogen 2.941 N/A ARG 573.A NE GLN 694.A OE1 no hydrogen 2.868 N/A THR 574.A N LEU 571.A O no hydrogen 3.275 N/A THR 574.A OG1 GLU 576.A OE2 no hydrogen 2.662 N/A GLU 576.A N GLU 576.A OE1 no hydrogen 2.686 N/A GLN 577.A N THR 574.A O no hydrogen 3.242 N/A CYS 578.A SG LEU 571.A O no hydrogen 3.293 N/A SER 580.A N GLN 577.A O no hydrogen 3.332 N/A SER 580.A OG GLN 577.A O no hydrogen 2.247 N/A VAL 581.A N CYS 578.A O no hydrogen 3.321 N/A VAL 582.A N PRO 579.A O no hydrogen 3.435 N/A SER 586.A N VAL 582.A O no hydrogen 2.837 N/A SER 586.A OG VAL 582.A O no hydrogen 3.010 N/A SER 586.A OG GLU 587.A OE2 no hydrogen 2.548 N/A GLU 587.A N LEU 584.A O no hydrogen 3.153 N/A SER 588.A N LEU 585.A O no hydrogen 3.501 N/A SER 588.A OG LEU 585.A O no hydrogen 3.507 N/A SER 588.A OG ASN 590.A O no hydrogen 2.956 N/A SER 588.A OG ASN 590.A OD1 no hydrogen 3.359 N/A ARG 594.A NH1 SER 588.A O no hydrogen 2.951 N/A ARG 594.A NH1 TYR 589.A O no hydrogen 3.423 N/A ARG 594.A NH2 ASP 623.A OD1 no hydrogen 3.445 N/A TYR 595.A N PRO 591.A O no hydrogen 2.910 N/A GLY 596.A N HIS 592.A O no hydrogen 2.960 N/A ALA 597.A N VAL 593.A O no hydrogen 2.841 N/A ALA 598.A N ARG 594.A O no hydrogen 2.901 N/A MET 599.A N TYR 595.A O no hydrogen 3.073 N/A ALA 600.A N GLY 596.A O no hydrogen 2.841 N/A LEU 601.A N ALA 597.A O no hydrogen 2.897 N/A GLY 602.A N ALA 598.A O no hydrogen 2.988 N/A ILE 603.A N MET 599.A O no hydrogen 2.903 N/A CYS 604.A N ALA 600.A O no hydrogen 2.883 N/A CYS 604.A SG LEU 571.A O no hydrogen 3.313 N/A CYS 605.A N LEU 601.A O no hydrogen 3.273 N/A CYS 605.A SG PRO 575.A O no hydrogen 3.960 N/A LEU 616.A N ALA 613.A O no hydrogen 3.168 N/A LEU 617.A N ALA 613.A O no hydrogen 2.888 N/A GLU 618.A N ILE 614.A O no hydrogen 2.926 N/A THR 621.A N GLU 618.A O no hydrogen 3.370 N/A VAL 625.A N ASP 623.A OD1 no hydrogen 2.744 N/A ASN 626.A ND2 ASP 668.A OD2 no hydrogen 2.892 N/A ARG 629.A N VAL 625.A O no hydrogen 3.386 N/A ARG 629.A NH1 ASP 623.A O no hydrogen 2.487 N/A ARG 629.A NH1 PRO 624.A O no hydrogen 3.405 N/A GLN 630.A N ASN 626.A O no hydrogen 2.942 N/A GLY 631.A N TYR 627.A O no hydrogen 2.919 N/A ALA 632.A N VAL 628.A O no hydrogen 2.883 N/A LEU 633.A N ARG 629.A O no hydrogen 2.907 N/A ILE 634.A N GLN 630.A O no hydrogen 2.947 N/A ALA 635.A N GLY 631.A O no hydrogen 2.905 N/A SER 636.A N ALA 632.A O no hydrogen 2.878 N/A SER 636.A OG TYR 658.A OH no hydrogen 3.339 N/A ALA 637.A N LEU 633.A O no hydrogen 2.921 N/A LEU 638.A N ILE 634.A O no hydrogen 2.919 N/A ILE 639.A N ALA 635.A O no hydrogen 2.930 N/A GLN 643.A NE2 ILE 639.A O no hydrogen 3.476 N/A THR 644.A OG1 THR 755.A OG1 no hydrogen 3.400 N/A ILE 646.A N THR 644.A OG1 no hydrogen 3.126 N/A THR 647.A OG1 GLN 643.A OE1 no hydrogen 3.299 N/A THR 647.A OG1 THR 644.A O no hydrogen 2.549 N/A CYS 648.A SG GLN 643.A OE1 no hydrogen 3.270 N/A VAL 651.A N CYS 648.A O no hydrogen 3.513 N/A PHE 654.A N LYS 650.A O no hydrogen 2.893 N/A ARG 655.A N VAL 651.A O no hydrogen 2.920 N/A GLN 656.A N ASN 652.A O no hydrogen 2.895 N/A LEU 657.A N GLN 653.A O no hydrogen 2.896 N/A TYR 658.A N PHE 654.A O no hydrogen 2.874 N/A TYR 658.A OH LEU 633.A O no hydrogen 3.033 N/A SER 659.A N ARG 655.A O no hydrogen 2.932 N/A SER 659.A OG ARG 655.A O no hydrogen 2.748 N/A LYS 660.A N GLN 656.A O no hydrogen 2.868 N/A LYS 660.A N LEU 657.A O no hydrogen 3.166 N/A VAL 661.A N LEU 657.A O no hydrogen 2.945 N/A ILE 662.A N TYR 658.A O no hydrogen 3.011 N/A LYS 665.A NZ ASN 663.A O no hydrogen 2.784 N/A HIS 666.A N ASP 664.A OD1 no hydrogen 3.023 N/A LYS 672.A N ASP 668.A O no hydrogen 3.074 N/A PHE 673.A N VAL 669.A O no hydrogen 2.870 N/A GLY 674.A N MET 670.A O no hydrogen 2.956 N/A ALA 675.A N ALA 671.A O no hydrogen 2.913 N/A ILE 676.A N LYS 672.A O no hydrogen 2.879 N/A LEU 677.A N PHE 673.A O no hydrogen 2.964 N/A ALA 678.A N GLY 674.A O no hydrogen 2.867 N/A GLN 679.A N ALA 675.A O no hydrogen 2.943 N/A GLY 680.A N ILE 676.A O no hydrogen 2.870 N/A ILE 681.A N LEU 677.A O no hydrogen 2.878 N/A LEU 682.A N ALA 678.A O no hydrogen 2.961 N/A ASP 683.A N GLN 679.A O no hydrogen 3.414 N/A ALA 684.A N ILE 681.A O no hydrogen 3.469 N/A GLY 685.A N PHE 320.A O no hydrogen 3.221 N/A ASN 688.A ND2 ASN 290.A O no hydrogen 2.961 N/A THR 690.A N THR 729.A O no hydrogen 2.754 N/A THR 690.A OG1 ILE 691.A O no hydrogen 3.481 N/A SER 692.A OG GLN 694.A O no hydrogen 3.503 N/A GLN 694.A NE2 GLY 698.A O no hydrogen 2.628 N/A GLN 694.A NE2 HIS 699.A O no hydrogen 2.742 N/A SER 695.A N HIS 699.A O no hydrogen 2.486 N/A SER 695.A OG THR 697.A OG1 no hydrogen 3.426 N/A THR 697.A OG1 GLN 212.A OE1 no hydrogen 2.728 N/A THR 697.A OG1 SER 695.A OG no hydrogen 3.426 N/A HIS 699.A N SER 695.A OG no hydrogen 2.734 N/A HIS 699.A ND1 THR 700.A O no hydrogen 2.919 N/A THR 700.A OG1 LEU 693.A O no hydrogen 3.183 N/A HIS 701.A N LEU 693.A O no hydrogen 2.415 N/A HIS 701.A ND1 GLN 694.A O no hydrogen 2.863 N/A VAL 705.A N HIS 701.A O no hydrogen 2.752 N/A VAL 706.A N MET 702.A O no hydrogen 2.961 N/A GLY 707.A N PRO 703.A O no hydrogen 2.900 N/A VAL 708.A N SER 704.A O no hydrogen 2.903 N/A LEU 709.A N VAL 705.A O no hydrogen 2.931 N/A VAL 710.A N VAL 706.A O no hydrogen 2.990 N/A PHE 711.A N GLY 707.A O no hydrogen 2.881 N/A THR 712.A N VAL 708.A O no hydrogen 2.944 N/A THR 712.A OG1 LEU 709.A O no hydrogen 2.848 N/A TRP 715.A NE1 TYR 595.A OH no hydrogen 3.138 N/A LEU 720.A N TRP 717.A O no hydrogen 3.128 N/A SER 721.A N PHE 718.A O no hydrogen 3.085 N/A SER 721.A OG PHE 718.A O no hydrogen 2.431 N/A HIS 722.A N PRO 719.A O no hydrogen 3.463 N/A HIS 722.A ND1 PRO 719.A O no hydrogen 2.659 N/A PHE 723.A N LEU 720.A O no hydrogen 3.351 N/A SER 725.A N HIS 722.A O no hydrogen 3.193 N/A SER 725.A OG HIS 722.A O no hydrogen 2.452 N/A LEU 726.A N PHE 723.A O no hydrogen 3.110 N/A ALA 727.A N LEU 724.A O no hydrogen 3.021 N/A TYR 728.A N SER 725.A O no hydrogen 3.418 N/A THR 729.A N THR 690.A O no hydrogen 2.626 N/A THR 729.A OG1 THR 690.A O no hydrogen 2.614 N/A THR 731.A OG1 THR 731.A O no hydrogen 2.581 N/A THR 731.A OG1 VAL 829.A O no hydrogen 2.782 N/A ASN 737.A N GLY 735.A O no hydrogen 3.006 N/A LYS 738.A N ASN 737.A OD1 no hydrogen 2.535 N/A LYS 738.A NZ ASP 739.A OD1 no hydrogen 3.327 N/A LYS 748.A N THR 838.A O no hydrogen 2.813 N/A SER 749.A OG VAL 836.A O no hydrogen 3.476 N/A CYS 751.A N SER 749.A OG no hydrogen 3.220 N/A SER 754.A N LYS 752.A O no hydrogen 3.032 N/A SER 754.A OG CYS 751.A O no hydrogen 2.418 N/A THR 755.A OG1 THR 644.A OG1 no hydrogen 3.400 N/A LYS 770.A NZ LYS 772.A O no hydrogen 3.422 N/A THR 775.A OG1 THR 775.A O no hydrogen 2.500 N/A LYS 785.A N THR 781.A O no hydrogen 2.884 N/A LYS 786.A N ALA 782.A O no hydrogen 2.854 N/A LYS 786.A NZ GLU 790.A OE2 no hydrogen 2.682 N/A LYS 787.A N LYS 783.A O no hydrogen 2.955 N/A GLU 788.A N ALA 784.A O no hydrogen 2.850 N/A LYS 789.A N LYS 785.A O no hydrogen 2.887 N/A GLU 790.A N LYS 786.A O no hydrogen 2.968 N/A LYS 791.A N LYS 787.A O no hydrogen 2.876 N/A LYS 791.A NZ GLU 788.A OE1 no hydrogen 3.421 N/A GLU 792.A N GLU 788.A O no hydrogen 2.892 N/A LYS 793.A N LYS 789.A O no hydrogen 2.903 N/A GLU 795.A N GLU 792.A O no hydrogen 3.131 N/A GLU 796.A N GLU 792.A O no hydrogen 2.923 N/A LYS 798.A NZ GLU 795.A O no hydrogen 2.807 N/A VAL 801.A N MET 799.A O no hydrogen 2.772 N/A LYS 813.A N LYS 810.A O no hydrogen 3.385 N/A LYS 814.A N LYS 810.A O no hydrogen 2.909 N/A GLU 817.A N GLU 815.A O no hydrogen 2.691 N/A ASN 819.A N GLU 817.A O no hydrogen 2.546 N/A ASN 819.A ND2 SER 749.A OG no hydrogen 3.218 N/A GLN 821.A N GLN 821.A OE1 no hydrogen 2.727 N/A ASN 825.A ND2 PRO 743.A O no hydrogen 2.382 N/A ALA 827.A N ASN 825.A O no hydrogen 2.772 N/A VAL 829.A N THR 731.A O no hydrogen 3.126 N/A LEU 834.A N MET 830.A O no hydrogen 3.250 N/A LYS 835.A N PRO 831.A O no hydrogen 2.938 N/A VAL 836.A N GLN 833.A O no hydrogen 3.432 N/A THR 838.A N LYS 748.A O no hydrogen 2.540 N/A CYS 843.A N PRO 840.A O no hydrogen 2.984 N/A ARG 844.A NH2 SER 863.A O no hydrogen 3.025 N/A GLN 846.A NE2 GLU 841.A O no hydrogen 3.563 N/A PHE 848.A N ILE 858.A O no hydrogen 3.170 N/A LYS 860.A N GLN 846.A O no hydrogen 3.107 N/A SER 863.A OG GLU 864.A O no hydrogen 3.378 N/A GLU 864.A N GLU 864.A OE1 no hydrogen 2.845 N/A VAL 870.A N MET 742.A O no hydrogen 3.405 N/A