Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8gy6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE ASP 68.A OD2 no hydrogen 3.466 N/A ARG 3.A NH1 ASP 150.A O no hydrogen 3.341 N/A ARG 3.A NH1 ASP 150.A OD1 no hydrogen 3.220 N/A ARG 3.A NH2 THR 65.A OG1 no hydrogen 2.933 N/A ARG 3.A NH2 ASP 150.A O no hydrogen 3.157 N/A ALA 4.A N ASP 68.A OD2 no hydrogen 3.321 N/A ILE 7.A N GLY 14.A O no hydrogen 2.938 N/A TYR 8.A OH GLU 671.A OE2 no hydrogen 2.726 N/A ASN 9.A N VAL 12.A O no hydrogen 3.106 N/A LYS 11.A N ASN 9.A OD1 no hydrogen 2.693 N/A GLY 14.A N ILE 7.A O no hydrogen 2.726 N/A PHE 15.A N LEU 650.A O no hydrogen 2.755 N/A PHE 18.A N ALA 16.A O no hydrogen 2.757 N/A TYR 21.A N LEU 61.A O no hydrogen 3.173 N/A ASN 30.A N THR 27.A OG1 no hydrogen 3.225 N/A GLN 32.A N PHE 28.A O no hydrogen 2.945 N/A GLN 32.A NE2 THR 36.A OG1 no hydrogen 3.080 N/A HIS 33.A N SER 29.A O no hydrogen 2.903 N/A GLU 34.A N ASN 30.A O no hydrogen 2.884 N/A GLU 35.A N TYR 31.A O no hydrogen 2.876 N/A THR 36.A N GLN 32.A O no hydrogen 2.931 N/A THR 36.A OG1 GLN 32.A O no hydrogen 3.055 N/A THR 36.A OG1 GLU 35.A OE1 no hydrogen 3.421 N/A ILE 37.A N HIS 33.A O no hydrogen 2.921 N/A TYR 38.A N GLU 34.A O no hydrogen 2.879 N/A ASN 39.A N GLU 35.A O no hydrogen 2.875 N/A LEU 40.A N THR 36.A O no hydrogen 2.910 N/A LEU 41.A N ILE 37.A O no hydrogen 2.697 N/A LYS 42.A NZ TYR 38.A O no hydrogen 3.087 N/A CYS 44.A SG GLN 133.A OE1 no hydrogen 3.970 N/A ALA 46.A N CYS 44.A O no hydrogen 2.753 N/A ALA 48.A N TRP 158.A O no hydrogen 2.454 N/A HIS 55.A ND1 ARG 26.A O no hydrogen 2.695 N/A SER 57.A N ASP 51.A O no hydrogen 3.279 N/A SER 57.A OG VAL 23.A O no hydrogen 2.726 N/A SER 57.A OG ARG 58.A O no hydrogen 3.455 N/A ARG 58.A NE ASP 160.A OD1 no hydrogen 2.824 N/A ARG 58.A NH1 SER 57.A O no hydrogen 2.469 N/A ARG 58.A NH2 ASP 160.A OD1 no hydrogen 3.566 N/A THR 62.A N ASP 153.A OD2 no hydrogen 2.820 N/A THR 62.A OG1 TYR 64.A O no hydrogen 2.383 N/A LYS 63.A NZ TYR 64.A OH no hydrogen 2.492 N/A LYS 63.A NZ GLU 86.A OE1 no hydrogen 3.544 N/A TYR 64.A OH GLU 86.A OE1 no hydrogen 2.293 N/A MET 66.A N GLN 152.A O no hydrogen 2.923 N/A ALA 67.A N THR 65.A OG1 no hydrogen 2.865 N/A LEU 69.A N THR 65.A O no hydrogen 3.254 N/A VAL 70.A N MET 66.A O no hydrogen 2.932 N/A TYR 71.A N ALA 67.A O no hydrogen 2.806 N/A ALA 72.A N ASP 68.A O no hydrogen 2.812 N/A LEU 73.A N LEU 69.A O no hydrogen 2.957 N/A ARG 74.A N VAL 70.A O no hydrogen 2.831 N/A ARG 74.A NH1 ASP 407.A OD2 no hydrogen 3.445 N/A HIS 75.A N TYR 71.A O no hydrogen 2.625 N/A GLU 78.A N GLU 78.A OE2 no hydrogen 2.304 N/A GLY 79.A N ASP 77.A OD1 no hydrogen 2.732 N/A ASN 80.A N ASP 77.A OD2 no hydrogen 2.417 N/A CYS 81.A SG GLU 78.A O no hydrogen 3.176 N/A CYS 81.A SG GLY 79.A O no hydrogen 3.679 N/A LYS 85.A N CYS 81.A O no hydrogen 3.457 N/A GLU 86.A N ASP 82.A O no hydrogen 2.918 N/A ILE 87.A N THR 83.A O no hydrogen 2.913 N/A LEU 88.A N LEU 84.A O no hydrogen 2.906 N/A VAL 89.A N LYS 85.A O no hydrogen 2.952 N/A THR 90.A N GLU 86.A O no hydrogen 2.922 N/A THR 90.A OG1 GLU 86.A O no hydrogen 2.865 N/A TYR 91.A N ILE 87.A O no hydrogen 3.252 N/A ASN 92.A N VAL 89.A O no hydrogen 3.199 N/A CYS 93.A SG LEU 88.A O no hydrogen 3.140 N/A CYS 93.A SG TYR 91.A O no hydrogen 3.217 N/A TYR 98.A N ASP 95.A O no hydrogen 2.461 N/A PHE 99.A N ASP 96.A O no hydrogen 2.970 N/A LYS 102.A NZ ASP 103.A OD1 no hydrogen 3.196 N/A LYS 102.A NZ ASP 103.A OD2 no hydrogen 2.393 N/A ASP 106.A N ASP 103.A O no hydrogen 3.277 N/A ASN 110.A ND2 TRP 104.A O no hydrogen 2.497 N/A ILE 113.A N ASN 110.A O no hydrogen 3.101 N/A LEU 114.A N PRO 111.A O no hydrogen 3.058 N/A ARG 115.A NE ASP 112.A OD1 no hydrogen 3.103 N/A ARG 115.A NE ASP 112.A OD2 no hydrogen 3.208 N/A ARG 115.A NH1 CYS 93.A O no hydrogen 3.137 N/A ARG 115.A NH2 CYS 93.A O no hydrogen 2.799 N/A ARG 115.A NH2 ASP 112.A OD2 no hydrogen 3.378 N/A VAL 116.A N ASP 112.A O no hydrogen 2.918 N/A TYR 117.A N ILE 113.A O no hydrogen 2.808 N/A TYR 117.A OH TYR 729.A OH no hydrogen 2.600 N/A ALA 118.A N LEU 114.A O no hydrogen 2.873 N/A ASN 119.A N ARG 115.A O no hydrogen 2.954 N/A ASN 119.A N VAL 116.A O no hydrogen 3.377 N/A LEU 120.A N TYR 117.A O no hydrogen 2.956 N/A GLY 121.A N ALA 118.A O no hydrogen 3.403 N/A VAL 124.A N LEU 120.A O no hydrogen 2.947 N/A VAL 124.A N GLY 121.A O no hydrogen 3.223 N/A ARG 125.A N GLY 121.A O no hydrogen 2.874 N/A ARG 125.A NH1 GLU 196.A OE2 no hydrogen 2.943 N/A ARG 125.A NH2 GLU 122.A OE1 no hydrogen 2.678 N/A GLN 126.A N GLU 122.A O no hydrogen 2.988 N/A LEU 128.A N VAL 124.A O no hydrogen 2.917 N/A LEU 129.A N ARG 125.A O no hydrogen 2.960 N/A LYS 130.A N GLN 126.A O no hydrogen 2.932 N/A THR 131.A N ALA 127.A O no hydrogen 2.837 N/A THR 131.A OG1 ALA 127.A O no hydrogen 2.928 N/A THR 131.A OG1 TYR 179.A OH no hydrogen 2.923 N/A VAL 132.A N LEU 128.A O no hydrogen 3.012 N/A GLN 133.A N LEU 129.A O no hydrogen 2.962 N/A PHE 134.A N LYS 130.A O no hydrogen 2.884 N/A CYS 135.A N THR 131.A O no hydrogen 2.848 N/A ASP 136.A N VAL 132.A O no hydrogen 2.994 N/A ALA 137.A N GLN 133.A O no hydrogen 2.890 N/A MET 138.A N PHE 134.A O no hydrogen 2.889 N/A ARG 139.A N CYS 135.A O no hydrogen 2.950 N/A ASN 140.A N ASP 136.A O no hydrogen 2.934 N/A ALA 141.A N MET 138.A O no hydrogen 2.923 N/A GLY 142.A N MET 138.A O no hydrogen 2.695 N/A GLY 145.A N VAL 173.A O no hydrogen 3.358 N/A ASN 151.A ND2 THR 148.A OG1 no hydrogen 2.274 N/A GLN 152.A NE2 ALA 127.A O no hydrogen 3.283 N/A GLN 152.A NE2 THR 131.A OG1 no hydrogen 3.223 N/A GLN 152.A NE2 GLY 156.A O no hydrogen 2.853 N/A LEU 154.A N THR 62.A OG1 no hydrogen 2.767 N/A ASN 155.A ND2 ARG 60.A O no hydrogen 3.053 N/A GLY 156.A N ASP 153.A OD1 no hydrogen 3.114 N/A TRP 158.A N ALA 46.A O no hydrogen 2.509 N/A TRP 158.A NE1 THR 131.A OG1 no hydrogen 2.728 N/A TYR 159.A N ASN 151.A O no hydrogen 3.015 N/A TYR 159.A OH ASP 150.A O no hydrogen 3.338 N/A THR 167.A OG1 ILE 165.A O no hydrogen 3.278 N/A SER 171.A N THR 168.A O no hydrogen 3.228 N/A SER 171.A OG THR 168.A O no hydrogen 2.518 N/A SER 171.A OG PRO 169.A O no hydrogen 3.254 N/A VAL 175.A N GLY 145.A O no hydrogen 2.258 N/A SER 178.A OG ASP 6.A OD2 no hydrogen 3.084 N/A SER 178.A OG LEU 147.A O no hydrogen 3.119 N/A TYR 179.A OH GLN 152.A OE1 no hydrogen 3.052 N/A TYR 180.A N VAL 176.A O no hydrogen 3.313 N/A TYR 180.A OH TYR 228.A O no hydrogen 3.318 N/A SER 181.A N ASP 177.A O no hydrogen 2.935 N/A SER 181.A OG ASP 177.A O no hydrogen 2.500 N/A SER 181.A OG SER 178.A O no hydrogen 3.256 N/A LEU 182.A N SER 178.A O no hydrogen 3.007 N/A LEU 183.A N TYR 179.A O no hydrogen 2.962 N/A MET 184.A N SER 181.A O no hydrogen 2.824 N/A LEU 187.A N MET 184.A O no hydrogen 3.422 N/A THR 188.A OG1 PRO 403.A O no hydrogen 2.659 N/A THR 190.A N ILE 186.A O no hydrogen 3.269 N/A ARG 191.A N THR 188.A O no hydrogen 2.991 N/A ALA 192.A N LEU 187.A O no hydrogen 2.967 N/A THR 194.A OG1 ARG 191.A O no hydrogen 2.841 N/A GLU 196.A N LEU 193.A O no hydrogen 2.844 N/A SER 197.A N THR 194.A O no hydrogen 3.148 N/A SER 197.A OG VAL 262.A O no hydrogen 2.223 N/A VAL 199.A N PRO 206.A O no hydrogen 2.938 N/A THR 201.A N HIS 198.A O no hydrogen 2.629 N/A THR 201.A OG1 ASP 200.A O no hydrogen 2.535 N/A LYS 205.A N LEU 203.A O no hydrogen 2.648 N/A LYS 205.A NZ THR 204.A OG1 no hydrogen 2.781 N/A ILE 208.A N SER 197.A O no hydrogen 2.770 N/A LYS 209.A NZ TYR 207.A O no hydrogen 2.357 N/A LYS 214.A N ASP 211.A O no hydrogen 3.288 N/A ASP 216.A N ASP 216.A OD1 no hydrogen 2.365 N/A ARG 221.A N PHE 217.A O no hydrogen 2.263 N/A ARG 221.A NH2 ASN 256.A O no hydrogen 2.562 N/A LEU 222.A N THR 218.A O no hydrogen 2.832 N/A LYS 223.A N GLU 219.A O no hydrogen 2.796 N/A LYS 223.A NZ GLU 219.A OE1 no hydrogen 2.544 N/A LEU 224.A N GLU 220.A O no hydrogen 2.790 N/A PHE 225.A N ARG 221.A O no hydrogen 2.838 N/A ASP 226.A N LEU 222.A O no hydrogen 2.577 N/A ARG 227.A N LEU 224.A O no hydrogen 3.334 N/A TYR 228.A N PHE 225.A O no hydrogen 2.883 N/A PHE 229.A N PHE 225.A O no hydrogen 2.524 N/A LYS 230.A NZ ASP 136.A OD1 no hydrogen 3.557 N/A LYS 230.A NZ ASP 136.A OD2 no hydrogen 3.473 N/A TYR 231.A OH ASP 136.A OD1 no hydrogen 2.221 N/A TRP 232.A N PHE 229.A O no hydrogen 3.240 N/A GLN 234.A N TRP 232.A O no hydrogen 2.428 N/A THR 235.A OG1 HIS 237.A NE2 no hydrogen 2.390 N/A TYR 236.A N GLN 234.A O no hydrogen 2.526 N/A ASN 239.A ND2 HIS 297.A NE2 no hydrogen 3.648 N/A CYS 240.A SG LEU 293.A O no hydrogen 3.495 N/A ASN 242.A N ASN 239.A O no hydrogen 3.161 N/A CYS 243.A N CYS 240.A O no hydrogen 2.930 N/A CYS 243.A SG HIS 237.A ND1 no hydrogen 2.762 N/A CYS 243.A SG CYS 248.A O no hydrogen 3.612 N/A ARG 247.A NH2 ARG 677.A O no hydrogen 2.890 N/A ILE 249.A N ASP 246.A O no hydrogen 3.198 N/A LEU 250.A N ASP 246.A O no hydrogen 3.470 N/A HIS 251.A N CYS 248.A O no hydrogen 3.208 N/A CYS 252.A N ILE 249.A O no hydrogen 2.942 N/A CYS 252.A SG CYS 248.A O no hydrogen 3.375 N/A CYS 252.A SG HIS 251.A ND1 no hydrogen 2.777 N/A ALA 253.A N ILE 249.A O no hydrogen 2.855 N/A PHE 255.A N CYS 252.A O no hydrogen 2.841 N/A ASN 256.A N CYS 252.A O no hydrogen 3.046 N/A ASN 256.A ND2 PRO 238.A O no hydrogen 2.975 N/A ASN 256.A ND2 CYS 252.A O no hydrogen 3.204 N/A VAL 257.A N ALA 253.A O no hydrogen 2.924 N/A LEU 258.A N PHE 255.A O no hydrogen 3.098 N/A PHE 259.A N PHE 255.A O no hydrogen 3.214 N/A SER 260.A OG VAL 257.A O no hydrogen 2.809 N/A SER 267.A N PRO 264.A O no hydrogen 2.953 N/A SER 267.A OG PRO 264.A O no hydrogen 2.964 N/A GLY 269.A N HIS 289.A O no hydrogen 3.068 N/A LEU 271.A N GLY 287.A O no hydrogen 2.967 N/A ILE 275.A N PHE 282.A O no hydrogen 2.515 N/A GLY 279.A N PHE 276.A O no hydrogen 2.859 N/A VAL 280.A N VAL 277.A O no hydrogen 2.826 N/A PHE 282.A N VAL 280.A O no hydrogen 2.593 N/A THR 286.A N LEU 271.A O no hydrogen 2.655 N/A TYR 288.A N VAL 296.A O no hydrogen 3.075 N/A HIS 289.A N GLY 269.A O no hydrogen 2.900 N/A PHE 290.A N GLY 294.A O no hydrogen 3.274 N/A VAL 295.A N ASN 239.A OD1 no hydrogen 2.373 N/A VAL 296.A N TYR 288.A O no hydrogen 2.964 N/A VAL 296.A N GLY 294.A O no hydrogen 2.905 N/A ASN 298.A ND2 ASN 476.A OD1 no hydrogen 2.693 N/A SER 305.A OG ASN 302.A O no hydrogen 3.272 N/A SER 306.A OG HIS 304.A O no hydrogen 3.163 N/A LYS 311.A NZ GLU 312.A OE1 no hydrogen 3.313 N/A LEU 313.A N SER 309.A O no hydrogen 3.241 N/A LEU 314.A N PHE 310.A O no hydrogen 2.970 N/A VAL 315.A N LYS 311.A O no hydrogen 2.844 N/A TYR 316.A N GLU 312.A O no hydrogen 2.912 N/A ALA 317.A N LEU 313.A O no hydrogen 2.895 N/A ALA 318.A N LEU 314.A O no hydrogen 2.965 N/A ASP 319.A N TYR 316.A O no hydrogen 2.797 N/A HIS 323.A N PRO 320.A O no hydrogen 3.367 N/A ALA 324.A N PRO 320.A O no hydrogen 2.858 N/A ALA 325.A N ALA 321.A O no hydrogen 3.127 N/A SER 326.A OG MET 322.A O no hydrogen 2.566 N/A SER 326.A OG SER 326.A O no hydrogen 2.326 N/A GLY 327.A N ALA 325.A O no hydrogen 3.014 N/A ARG 334.A NE ASP 332.A OD1 no hydrogen 2.363 N/A ARG 334.A NE ASP 332.A OD2 no hydrogen 3.376 N/A ARG 334.A NH2 ASP 332.A OD2 no hydrogen 2.580 N/A THR 335.A OG1 CYS 337.A O no hydrogen 3.426 N/A CYS 337.A N THR 335.A OG1 no hydrogen 2.467 N/A CYS 337.A SG THR 335.A OG1 no hydrogen 3.085 N/A SER 339.A OG LEU 330.A O no hydrogen 3.160 N/A ASN 345.A N ASN 345.A OD1 no hydrogen 2.342 N/A THR 351.A OG1 VAL 352.A O no hydrogen 3.402 N/A THR 351.A OG1 GLN 386.A O no hydrogen 3.011 N/A VAL 352.A N GLN 386.A O no hydrogen 3.062 N/A LYS 359.A NZ ASP 360.A OD1 no hydrogen 2.998 N/A LYS 359.A NZ ASP 360.A OD2 no hydrogen 3.092 N/A ASP 363.A N LYS 359.A O no hydrogen 2.927 N/A PHE 364.A N ASP 360.A O no hydrogen 2.917 N/A ALA 365.A N PHE 361.A O no hydrogen 2.923 N/A VAL 366.A N TYR 362.A O no hydrogen 2.909 N/A SER 367.A N ASP 363.A O no hydrogen 2.882 N/A SER 367.A OG ASP 363.A O no hydrogen 3.376 N/A SER 367.A OG PHE 364.A O no hydrogen 3.202 N/A LYS 368.A N PHE 364.A O no hydrogen 2.825 N/A LYS 368.A NZ SER 367.A OG no hydrogen 2.632 N/A PHE 370.A N ALA 365.A O no hydrogen 2.517 N/A LYS 372.A N SER 375.A OG no hydrogen 2.997 N/A LYS 372.A NZ VAL 366.A O no hydrogen 2.377 N/A LYS 372.A NZ PHE 370.A O no hydrogen 2.215 N/A GLY 374.A N LYS 372.A O no hydrogen 2.701 N/A SER 375.A N LYS 372.A O no hydrogen 3.327 N/A SER 375.A OG LYS 372.A O no hydrogen 3.086 N/A LYS 380.A NZ LEU 379.A O no hydrogen 2.228 N/A PHE 382.A N SER 491.A O no hydrogen 2.819 N/A SER 393.A OG ASN 389.A O no hydrogen 2.295 N/A SER 393.A OG ALA 390.A O no hydrogen 2.880 N/A ASP 394.A N ALA 390.A O no hydrogen 2.593 N/A TYR 395.A N ALA 391.A O no hydrogen 2.910 N/A ASP 396.A N ILE 392.A O no hydrogen 2.920 N/A TYR 398.A N TYR 395.A O no hydrogen 3.168 N/A ARG 399.A N ASP 396.A O no hydrogen 3.121 N/A TYR 400.A N TYR 397.A O no hydrogen 2.962 N/A ASN 401.A N TYR 398.A O no hydrogen 2.624 N/A ASN 401.A ND2 ARG 566.A O no hydrogen 3.097 N/A ASN 401.A ND2 MET 568.A O no hydrogen 3.521 N/A LEU 402.A N TYR 400.A O no hydrogen 2.710 N/A THR 404.A N ASN 570.A OD1 no hydrogen 3.216 N/A THR 404.A OG1 PRO 185.A O no hydrogen 3.414 N/A THR 404.A OG1 MET 405.A O no hydrogen 2.877 N/A CYS 406.A N ASN 254.A OD1 no hydrogen 3.293 N/A CYS 406.A SG MET 405.A O no hydrogen 2.991 N/A ARG 409.A NH1 ASP 177.A OD2 no hydrogen 2.302 N/A GLN 410.A N ASP 407.A OD1 no hydrogen 3.385 N/A LEU 411.A N ASP 407.A O no hydrogen 2.883 N/A VAL 417.A N PHE 413.A O no hydrogen 3.012 N/A VAL 418.A N VAL 414.A O no hydrogen 2.886 N/A ASP 419.A N VAL 415.A O no hydrogen 2.936 N/A LYS 420.A N GLU 416.A O no hydrogen 2.884 N/A LYS 420.A NZ ASN 685.A OD1 no hydrogen 2.788 N/A TYR 421.A N VAL 417.A O no hydrogen 2.985 N/A PHE 422.A N VAL 418.A O no hydrogen 2.954 N/A PHE 422.A N ASP 419.A O no hydrogen 3.308 N/A ASP 423.A N LYS 420.A O no hydrogen 2.436 N/A TYR 425.A N PHE 422.A O no hydrogen 3.056 N/A ASP 426.A N SER 520.A OG no hydrogen 2.862 N/A CYS 429.A SG HIS 584.A ND1 no hydrogen 2.994 N/A VAL 435.A N ALA 432.A O no hydrogen 2.726 N/A LYS 442.A N LEU 440.A O no hydrogen 2.756 N/A LYS 442.A NZ GLY 625.A O no hydrogen 2.381 N/A PHE 446.A N ILE 481.A O no hydrogen 3.024 N/A ASN 449.A N GLY 445.A O no hydrogen 2.705 N/A ASN 449.A ND2 ALA 444.A O no hydrogen 3.005 N/A ASN 449.A ND2 GLN 483.A OE1 no hydrogen 2.775 N/A LYS 450.A N PRO 447.A O no hydrogen 3.268 N/A TRP 451.A N PHE 448.A O no hydrogen 2.953 N/A GLY 452.A N PHE 448.A O no hydrogen 3.206 N/A LEU 456.A N LYS 453.A O no hydrogen 3.321 N/A TYR 457.A OH PHE 448.A O no hydrogen 2.979 N/A TYR 458.A N ALA 454.A O no hydrogen 2.981 N/A TYR 458.A OH THR 507.A OG1 no hydrogen 3.292 N/A ASP 459.A N ARG 455.A O no hydrogen 2.878 N/A SER 460.A N TYR 457.A O no hydrogen 2.618 N/A MET 461.A N TYR 457.A O no hydrogen 2.916 N/A GLN 466.A N SER 462.A O no hydrogen 3.070 N/A GLN 466.A NE2 MET 461.A O no hydrogen 2.523 N/A ASP 467.A N TYR 463.A O no hydrogen 2.917 N/A ALA 468.A N GLU 464.A O no hydrogen 2.843 N/A LEU 469.A N ASP 465.A O no hydrogen 2.871 N/A PHE 470.A N GLN 466.A O no hydrogen 2.817 N/A ALA 471.A N ASP 467.A O no hydrogen 2.850 N/A TYR 472.A N ALA 468.A O no hydrogen 2.880 N/A THR 473.A N LEU 469.A O no hydrogen 2.878 N/A THR 473.A OG1 LEU 469.A O no hydrogen 3.288 N/A THR 473.A OG1 PHE 470.A O no hydrogen 2.222 N/A LYS 474.A N PHE 470.A O no hydrogen 2.880 N/A ARG 475.A N TYR 472.A O no hydrogen 2.496 N/A ASN 476.A N TYR 472.A O no hydrogen 2.247 N/A ASN 476.A ND2 TYR 472.A O no hydrogen 3.170 N/A THR 480.A OG1 GLU 607.A OE2 no hydrogen 2.278 N/A THR 482.A N MET 608.A O no hydrogen 2.672 N/A THR 482.A OG1 GLU 607.A OE1 no hydrogen 3.041 N/A THR 482.A OG1 MET 608.A O no hydrogen 2.778 N/A ASN 485.A N VAL 499.A O no hydrogen 3.083 N/A LYS 487.A N ARG 497.A O no hydrogen 3.159 N/A TYR 488.A OH ASP 787.A O no hydrogen 2.574 N/A SER 491.A N PHE 382.A O no hydrogen 2.968 N/A LYS 493.A N SER 491.A OG no hydrogen 3.147 N/A ARG 497.A NE ALA 489.A O no hydrogen 2.677 N/A ARG 497.A NH2 ALA 489.A O no hydrogen 2.874 N/A THR 498.A OG1 ASP 394.A OD1 no hydrogen 2.516 N/A THR 498.A OG1 ASP 394.A OD2 no hydrogen 2.677 N/A SER 506.A N SER 503.A OG no hydrogen 3.332 N/A SER 506.A OG SER 503.A OG no hydrogen 2.525 N/A THR 507.A OG1 TYR 458.A OH no hydrogen 3.292 N/A THR 507.A OG1 ILE 504.A O no hydrogen 2.432 N/A MET 508.A N ILE 504.A O no hydrogen 2.896 N/A THR 509.A N CYS 505.A O no hydrogen 2.978 N/A THR 509.A OG1 CYS 505.A O no hydrogen 3.255 N/A THR 509.A OG1 SER 506.A O no hydrogen 2.938 N/A ASN 510.A N SER 506.A O no hydrogen 2.892 N/A ARG 511.A N THR 507.A O no hydrogen 2.897 N/A GLN 512.A NE2 ASP 467.A OD2 no hydrogen 2.992 N/A PHE 513.A N THR 509.A O no hydrogen 2.957 N/A HIS 514.A N ARG 511.A O no hydrogen 2.950 N/A GLN 515.A N ARG 511.A O no hydrogen 2.836 N/A GLN 515.A NE2 ILE 436.A O no hydrogen 2.230 N/A LYS 516.A NZ ASP 426.A OD2 no hydrogen 2.274 N/A LEU 518.A N HIS 514.A O no hydrogen 2.870 N/A LYS 519.A N GLN 515.A O no hydrogen 2.902 N/A SER 520.A N LYS 516.A O no hydrogen 2.921 N/A ILE 521.A N LEU 517.A O no hydrogen 2.951 N/A ILE 521.A N LEU 518.A O no hydrogen 2.856 N/A ALA 522.A N LEU 518.A O no hydrogen 2.857 N/A THR 524.A OG1 ARG 525.A O no hydrogen 3.451 N/A ARG 525.A NE THR 524.A O no hydrogen 2.886 N/A VAL 530.A N ILE 699.A O no hydrogen 2.530 N/A THR 533.A N VAL 530.A O no hydrogen 3.264 N/A THR 533.A OG1 SER 534.A O no hydrogen 3.447 N/A ASN 542.A N GLY 538.A O no hydrogen 2.306 N/A MET 543.A N GLY 539.A O no hydrogen 2.847 N/A LEU 544.A N TRP 540.A O no hydrogen 2.898 N/A LYS 545.A N HIS 541.A O no hydrogen 2.880 N/A THR 546.A N ASN 542.A O no hydrogen 2.892 N/A THR 546.A OG1 MET 543.A O no hydrogen 2.288 N/A VAL 547.A N MET 543.A O no hydrogen 2.926 N/A TYR 548.A N LEU 544.A O no hydrogen 3.091 N/A TYR 548.A N LYS 545.A O no hydrogen 3.193 N/A SER 549.A N THR 546.A O no hydrogen 2.856 N/A SER 549.A OG THR 546.A O no hydrogen 2.949 N/A ASN 553.A ND2 GLU 552.A OE1 no hydrogen 2.981 N/A HIS 555.A N PHE 708.A O no hydrogen 3.491 N/A MET 557.A N VAL 706.A O no hydrogen 2.998 N/A TYR 561.A OH ASN 637.A OD1 no hydrogen 2.391 N/A ARG 566.A N LYS 563.A O no hydrogen 3.436 N/A ARG 566.A NH2 THR 498.A OG1 no hydrogen 2.831 N/A ALA 567.A N LYS 563.A O no hydrogen 3.201 N/A ARG 573.A NH1 ARG 573.A O no hydrogen 3.106 N/A ILE 574.A N ASN 570.A O no hydrogen 3.313 N/A ILE 574.A N MET 571.A O no hydrogen 3.157 N/A MET 575.A N MET 571.A O no hydrogen 2.935 N/A ALA 576.A N LEU 572.A O no hydrogen 2.974 N/A SER 577.A OG GLU 600.A OE1 no hydrogen 3.056 N/A LEU 578.A N ILE 574.A O no hydrogen 2.902 N/A VAL 579.A N MET 575.A O no hydrogen 2.857 N/A LEU 580.A N ALA 576.A O no hydrogen 2.961 N/A ALA 581.A N LEU 578.A O no hydrogen 3.031 N/A ARG 582.A NE ASP 419.A OD2 no hydrogen 3.350 N/A LYS 583.A NZ PHE 422.A O no hydrogen 3.449 N/A LYS 583.A NZ TYR 425.A O no hydrogen 2.466 N/A LYS 583.A NZ ASP 426.A O no hydrogen 2.420 N/A THR 585.A OG1 THR 585.A O no hydrogen 2.314 N/A THR 586.A N HIS 584.A O no hydrogen 2.549 N/A CYS 587.A N HIS 584.A O no hydrogen 2.833 N/A CYS 588.A N HIS 584.A O no hydrogen 3.191 N/A SER 589.A OG SER 591.A OG no hydrogen 2.465 N/A SER 591.A OG SER 589.A OG no hydrogen 2.465 N/A SER 591.A OG HIS 592.A ND1 no hydrogen 3.415 N/A HIS 592.A N SER 589.A OG no hydrogen 2.853 N/A ARG 593.A N SER 589.A O no hydrogen 2.833 N/A ARG 593.A NH2 ASP 246.A OD2 no hydrogen 2.239 N/A PHE 594.A N LEU 590.A O no hydrogen 2.965 N/A TYR 595.A N SER 591.A O no hydrogen 2.987 N/A ARG 596.A N HIS 592.A O no hydrogen 2.912 N/A ARG 596.A NH2 THR 509.A OG1 no hydrogen 2.505 N/A LEU 597.A N ARG 593.A O no hydrogen 2.937 N/A ALA 598.A N PHE 594.A O no hydrogen 2.912 N/A ASN 599.A N TYR 595.A O no hydrogen 2.942 N/A ASN 599.A ND2 ASN 476.A O no hydrogen 3.402 N/A ASN 599.A ND2 TYR 595.A O no hydrogen 2.348 N/A GLU 600.A N ARG 596.A O no hydrogen 3.037 N/A CYS 601.A N LEU 597.A O no hydrogen 2.872 N/A ALA 602.A N ALA 598.A O no hydrogen 2.918 N/A GLN 603.A N ASN 599.A O no hydrogen 2.933 N/A SER 606.A OG LEU 605.A O no hydrogen 2.495 N/A SER 606.A OG LYS 618.A O no hydrogen 3.145 N/A MET 608.A N THR 480.A O no hydrogen 2.840 N/A MET 610.A N THR 482.A O no hydrogen 3.210 N/A CYS 611.A SG ALA 391.A O no hydrogen 3.766 N/A SER 614.A N CYS 611.A O no hydrogen 3.414 N/A SER 614.A OG CYS 611.A O no hydrogen 2.755 N/A SER 614.A OG TYR 616.A OH no hydrogen 2.773 N/A LEU 615.A N ALA 341.A O no hydrogen 3.393 N/A TYR 616.A OH SER 614.A OG no hydrogen 2.773 N/A LYS 618.A N GLU 607.A O no hydrogen 3.062 N/A LYS 618.A NZ VAL 604.A O no hydrogen 3.112 N/A LYS 618.A NZ GLY 620.A O no hydrogen 2.304 N/A THR 622.A N ASP 565.A O no hydrogen 3.010 N/A THR 622.A OG1 CYS 564.A O no hydrogen 3.374 N/A ASP 626.A N SER 623.A O no hydrogen 3.214 N/A THR 629.A N ASP 626.A O no hydrogen 3.222 N/A THR 629.A OG1 SER 623.A O no hydrogen 2.429 N/A THR 629.A OG1 ASP 626.A OD2 no hydrogen 2.794 N/A ALA 630.A N ALA 627.A O no hydrogen 3.263 N/A ALA 632.A N THR 628.A O no hydrogen 2.787 N/A ASN 633.A N THR 629.A O no hydrogen 2.857 N/A SER 634.A N ALA 630.A O no hydrogen 2.957 N/A SER 634.A OG TYR 631.A O no hydrogen 3.262 N/A VAL 635.A N TYR 631.A O no hydrogen 2.853 N/A PHE 636.A N ALA 632.A O no hydrogen 2.810 N/A ASN 637.A N ASN 633.A O no hydrogen 2.708 N/A ILE 638.A N SER 634.A O no hydrogen 2.903 N/A CYS 639.A N VAL 635.A O no hydrogen 2.764 N/A GLN 640.A N PHE 636.A O no hydrogen 2.763 N/A ALA 641.A N ASN 637.A O no hydrogen 2.816 N/A VAL 642.A N ILE 638.A O no hydrogen 2.646 N/A THR 643.A N CYS 639.A O no hydrogen 2.765 N/A THR 643.A OG1 CYS 639.A O no hydrogen 2.692 N/A ALA 644.A N GLN 640.A O no hydrogen 2.915 N/A ASN 645.A N ALA 641.A O no hydrogen 2.956 N/A VAL 646.A N VAL 642.A O no hydrogen 2.976 N/A ASN 647.A N THR 643.A O no hydrogen 2.911 N/A ALA 648.A N ALA 644.A O no hydrogen 2.780 N/A LEU 649.A N ASN 645.A O no hydrogen 2.894 N/A LEU 650.A N VAL 646.A O no hydrogen 2.932 N/A SER 651.A OG ASN 647.A O no hydrogen 2.362 N/A SER 651.A OG ALA 648.A O no hydrogen 2.604 N/A THR 652.A N LEU 649.A O no hydrogen 3.217 N/A THR 652.A OG1 ALA 648.A O no hydrogen 2.609 N/A THR 652.A OG1 LEU 649.A O no hydrogen 2.366 N/A LYS 656.A N ASP 653.A OD2 no hydrogen 2.384 N/A LYS 660.A N ASP 659.A OD1 no hydrogen 2.379 N/A TYR 661.A N ASP 659.A OD1 no hydrogen 3.203 N/A LEU 665.A N VAL 662.A O no hydrogen 3.022 N/A GLN 666.A N VAL 662.A O no hydrogen 2.823 N/A GLN 666.A NE2 THR 652.A O no hydrogen 3.696 N/A HIS 667.A N ARG 663.A O no hydrogen 2.995 N/A HIS 667.A NE2 ASN 9.A O no hydrogen 2.454 N/A LEU 669.A N LEU 665.A O no hydrogen 2.926 N/A TYR 670.A N GLN 666.A O no hydrogen 2.968 N/A TYR 670.A OH ASP 6.A OD1 no hydrogen 2.640 N/A TYR 670.A OH ASP 6.A OD2 no hydrogen 3.354 N/A GLU 671.A N HIS 667.A O no hydrogen 3.048 N/A CYS 672.A N ARG 668.A O no hydrogen 2.859 N/A LEU 673.A N LEU 669.A O no hydrogen 3.008 N/A TYR 674.A N TYR 670.A O no hydrogen 2.984 N/A TYR 674.A OH ASP 407.A OD2 no hydrogen 2.398 N/A ARG 677.A NH1 ARG 247.A O no hydrogen 3.512 N/A ARG 677.A NH2 ARG 247.A O no hydrogen 3.389 N/A ASP 678.A N ASP 678.A OD1 no hydrogen 2.293 N/A PHE 683.A N ASP 680.A O no hydrogen 2.859 N/A VAL 684.A N ASP 680.A O no hydrogen 3.289 N/A ASN 685.A N THR 681.A O no hydrogen 2.965 N/A GLU 686.A N ASP 682.A O no hydrogen 2.941 N/A PHE 687.A N PHE 683.A O no hydrogen 2.898 N/A TYR 688.A N VAL 684.A O no hydrogen 2.914 N/A ALA 689.A N ASN 685.A O no hydrogen 2.959 N/A TYR 690.A N GLU 686.A O no hydrogen 2.916 N/A LEU 691.A N PHE 687.A O no hydrogen 2.872 N/A ARG 692.A N TYR 688.A O no hydrogen 2.909 N/A ARG 692.A NH1 ALA 527.A O no hydrogen 3.196 N/A LYS 693.A N TYR 690.A O no hydrogen 3.278 N/A HIS 694.A N TYR 690.A O no hydrogen 3.212 N/A PHE 695.A N LEU 691.A O no hydrogen 3.136 N/A SER 696.A OG VAL 547.A O no hydrogen 2.362 N/A SER 696.A OG CYS 707.A O no hydrogen 3.220 N/A MET 698.A N VAL 705.A O no hydrogen 2.605 N/A ILE 699.A N THR 528.A O no hydrogen 2.959 N/A LEU 700.A N ASP 703.A O no hydrogen 2.478 N/A SER 701.A OG ASP 702.A OD1 no hydrogen 3.112 N/A ASP 703.A N LEU 700.A O no hydrogen 2.719 N/A VAL 705.A N MET 698.A O no hydrogen 2.691 N/A VAL 706.A N MET 557.A O no hydrogen 2.958 N/A CYS 707.A N SER 696.A O no hydrogen 2.897 N/A CYS 707.A SG VAL 547.A O no hydrogen 3.779 N/A SER 710.A N ASN 553.A OD1 no hydrogen 3.321 N/A SER 710.A OG ASN 553.A O no hydrogen 3.472 N/A SER 710.A OG ASN 553.A OD1 no hydrogen 2.871 N/A THR 711.A N ASN 709.A OD1 no hydrogen 2.440 N/A THR 711.A OG1 GLU 552.A OE1 no hydrogen 2.894 N/A THR 711.A OG1 ASN 553.A OD1 no hydrogen 2.749 N/A THR 711.A OG1 ASN 709.A OD1 no hydrogen 2.909 N/A TYR 712.A N ASN 709.A OD1 no hydrogen 3.424 N/A SER 714.A N SER 710.A O no hydrogen 3.186 N/A SER 714.A N THR 711.A O no hydrogen 2.984 N/A SER 714.A OG THR 711.A O no hydrogen 2.921 N/A GLN 715.A N TYR 712.A O no hydrogen 3.262 N/A LYS 722.A N SER 720.A OG no hydrogen 3.007 N/A LYS 722.A NZ SER 720.A OG no hydrogen 3.311 N/A LYS 725.A N LYS 722.A O no hydrogen 3.140 N/A LYS 725.A NZ PHE 76.A O no hydrogen 3.062 N/A LYS 725.A NZ GLU 78.A OE2 no hydrogen 2.364 N/A SER 726.A N LYS 722.A O no hydrogen 2.942 N/A SER 726.A OG PHE 76.A O no hydrogen 2.445 N/A VAL 727.A N ASN 723.A O no hydrogen 3.049 N/A TYR 729.A N LYS 725.A O no hydrogen 2.984 N/A TYR 729.A OH TYR 105.A O no hydrogen 3.173 N/A TYR 729.A OH TYR 117.A OH no hydrogen 2.600 N/A GLN 731.A N VAL 727.A O no hydrogen 3.095 N/A ASN 732.A N LEU 728.A O no hydrogen 2.926 N/A ASN 733.A N TYR 729.A O no hydrogen 3.240 N/A LYS 740.A N SER 737.A O no hydrogen 2.641 N/A CYS 741.A SG SER 737.A O no hydrogen 3.965 N/A CYS 741.A SG GLU 738.A O no hydrogen 3.044 N/A GLU 744.A N LEU 556.A O no hydrogen 3.101 N/A THR 745.A OG1 THR 745.A O no hydrogen 2.487 N/A ASP 746.A N GLU 744.A OE2 no hydrogen 2.316 N/A LYS 749.A N ASP 746.A O no hydrogen 3.028 N/A GLY 750.A N THR 759.A O no hydrogen 2.833 N/A PHE 754.A N GLN 757.A O no hydrogen 3.020 N/A SER 756.A N GLU 753.A OE2 no hydrogen 2.622 N/A SER 756.A OG CYS 755.A O no hydrogen 2.311 N/A GLN 757.A NE2 CYS 755.A O no hydrogen 3.645 N/A HIS 758.A N TYR 773.A O no hydrogen 3.048 N/A MET 760.A N LEU 771.A O no hydrogen 2.857 N/A VAL 762.A N VAL 769.A O no hydrogen 3.317 N/A ASP 766.A N LYS 763.A O no hydrogen 2.958 N/A VAL 769.A N VAL 762.A O no hydrogen 3.378 N/A TYR 770.A OH LEU 747.A O no hydrogen 2.235 N/A TYR 773.A N HIS 758.A O no hydrogen 2.562 N/A SER 777.A OG ASP 775.A OD1 no hydrogen 2.291 N/A SER 777.A OG ASP 775.A OD2 no hydrogen 3.069 N/A ARG 778.A N ASP 775.A OD1 no hydrogen 2.287 N/A ILE 779.A N ASP 775.A O no hydrogen 3.255 N/A LEU 780.A N PRO 776.A O no hydrogen 2.861 N/A GLY 781.A N SER 777.A O no hydrogen 2.827 N/A ALA 782.A N ARG 778.A O no hydrogen 2.888 N/A GLY 783.A N ILE 779.A O no hydrogen 2.927 N/A GLY 783.A N LEU 780.A O no hydrogen 2.641 N/A CYS 784.A N LEU 780.A O no hydrogen 3.282 N/A CYS 784.A SG LEU 780.A O no hydrogen 3.906 N/A VAL 786.A N ASN 356.A O no hydrogen 2.644 N/A THR 795.A OG1 ASP 793.A O no hydrogen 3.225 N/A ILE 798.A N GLY 794.A O no hydrogen 2.470 N/A GLU 799.A N THR 795.A O no hydrogen 2.907 N/A ARG 800.A N LEU 796.A O no hydrogen 2.816 N/A PHE 801.A N MET 797.A O no hydrogen 2.881 N/A VAL 802.A N ILE 798.A O no hydrogen 2.856 N/A SER 803.A N GLU 799.A O no hydrogen 2.888 N/A SER 803.A OG GLU 799.A O no hydrogen 2.845 N/A SER 803.A OG ARG 800.A O no hydrogen 2.563 N/A LEU 804.A N ARG 800.A O no hydrogen 2.903 N/A ALA 805.A N PHE 801.A O no hydrogen 2.858 N/A ILE 806.A N VAL 802.A O no hydrogen 2.824 N/A ASP 807.A N SER 803.A O no hydrogen 2.926 N/A ALA 808.A N LEU 804.A O no hydrogen 2.830 N/A ALA 808.A N ALA 805.A O no hydrogen 3.090 N/A TYR 809.A N ALA 805.A O no hydrogen 2.837 N/A TYR 809.A OH GLU 849.A OE1 no hydrogen 2.577 N/A LEU 811.A N ALA 808.A O no hydrogen 2.499 N/A THR 812.A OG1 TYR 809.A O no hydrogen 2.736 N/A LYS 813.A NZ TYR 809.A O no hydrogen 3.117 N/A LYS 813.A NZ THR 812.A OG1 no hydrogen 2.226 N/A HIS 814.A N LEU 811.A O no hydrogen 2.463 N/A ASN 816.A N HIS 814.A ND1 no hydrogen 3.277 N/A GLU 818.A N GLU 818.A OE2 no hydrogen 2.453 N/A ASP 821.A N GLN 817.A O no hydrogen 2.889 N/A VAL 822.A N GLU 818.A O no hydrogen 2.961 N/A HIS 824.A N ALA 820.A O no hydrogen 2.924 N/A LEU 825.A N ASP 821.A O no hydrogen 2.824 N/A TYR 826.A N VAL 822.A O no hydrogen 2.968 N/A LEU 827.A N PHE 823.A O no hydrogen 2.822 N/A GLN 828.A N HIS 824.A O no hydrogen 2.910 N/A TYR 829.A N LEU 825.A O no hydrogen 2.790 N/A ILE 830.A N TYR 826.A O no hydrogen 2.924 N/A ARG 831.A N LEU 827.A O no hydrogen 2.788 N/A LYS 832.A N GLN 828.A O no hydrogen 2.926 N/A LEU 833.A N TYR 829.A O no hydrogen 2.906 N/A HIS 834.A N ILE 830.A O no hydrogen 2.896 N/A ASP 835.A N ARG 831.A O no hydrogen 2.880 N/A GLU 836.A N LYS 832.A O no hydrogen 2.938 N/A LEU 837.A N HIS 834.A O no hydrogen 3.215 N/A ARG 841.A NE GLU 844.A OE2 no hydrogen 2.914 N/A GLU 846.A N GLU 846.A OE2 no hydrogen 2.935 N/A TYR 848.A OH TYR 842.A O no hydrogen 2.965 N/A GLU 849.A N PRO 845.A O no hydrogen 2.864 N/A ALA 850.A N GLU 846.A O no hydrogen 2.785 N/A MET 851.A N PHE 847.A O no hydrogen 3.109 N/A TYR 852.A N GLU 849.A O no hydrogen 3.219 N/A HIS 855.A N THR 853.A O no hydrogen 2.731 N/A THR 856.A N THR 853.A O no hydrogen 3.386 N/A THR 856.A OG1 ALA 850.A O no hydrogen 3.294 N/A THR 856.A OG1 THR 853.A O no hydrogen 3.528 N/A