Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w1r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N GLU 7.A OE1 no hydrogen 3.467 N/A GLU 7.A N GLU 7.A OE2 no hydrogen 2.625 N/A MET 9.A N LEU 5.A O no hydrogen 2.934 N/A GLN 10.A N GLN 6.A O no hydrogen 2.846 N/A LYS 11.A N GLU 7.A O no hydrogen 2.921 N/A VAL 12.A N ILE 8.A O no hydrogen 2.990 N/A ARG 13.A N MET 9.A O no hydrogen 2.906 N/A GLN 14.A N GLN 10.A O no hydrogen 2.911 N/A VAL 15.A N LYS 11.A O no hydrogen 2.974 N/A GLN 16.A N VAL 12.A O no hydrogen 2.938 N/A ALA 17.A N ARG 13.A O no hydrogen 2.888 N/A ASP 18.A N GLN 14.A O no hydrogen 2.928 N/A TYR 19.A N VAL 15.A O no hydrogen 2.917 N/A MET 20.A N GLN 16.A O no hydrogen 2.905 N/A THR 21.A N ALA 17.A O no hydrogen 2.895 N/A THR 21.A OG1 ALA 17.A O no hydrogen 3.048 N/A ALA 22.A N ASP 18.A O no hydrogen 2.926 N/A THR 23.A N TYR 19.A O no hydrogen 3.398 N/A THR 23.A OG1 TYR 19.A O no hydrogen 3.368 N/A ARG 24.A NH1 GLU 25.A OE1 no hydrogen 2.324 N/A THR 29.A N ASP 27.A OD1 no hydrogen 3.021 N/A GLN 34.A NE2 ASP 38.A OD1 no hydrogen 3.309 N/A ILE 36.A N ASP 32.A O no hydrogen 3.279 N/A LEU 37.A N VAL 33.A O no hydrogen 2.926 N/A ASP 38.A N GLN 34.A O no hydrogen 2.914 N/A ASP 39.A N LYS 35.A O no hydrogen 2.892 N/A ILE 40.A N ILE 36.A O no hydrogen 2.942 N/A LYS 41.A N LEU 37.A O no hydrogen 2.935 N/A ALA 42.A N ASP 38.A O no hydrogen 2.899 N/A LEU 43.A N ASP 39.A O no hydrogen 2.897 N/A ALA 44.A N ILE 40.A O no hydrogen 2.931 N/A ALA 45.A N ALA 42.A O no hydrogen 3.306 N/A GLU 46.A N LEU 43.A O no hydrogen 3.236 N/A VAL 52.A N ILE 113.A O no hydrogen 2.919 N/A SER 58.A N GLY 134.A O no hydrogen 3.067 N/A PHE 59.A N GLY 134.A O no hydrogen 3.440 N/A ARG 60.A N VAL 73.A O no hydrogen 2.939 N/A ILE 62.A N LEU 71.A O no hydrogen 2.850 N/A GLN 65.A NE2 VAL 799.A O no hydrogen 2.989 N/A SER 66.A OG GLN 692.A O no hydrogen 2.451 N/A ARG 67.A NE VAL 143.A O no hydrogen 3.324 N/A ASP 68.A N SER 66.A OG no hydrogen 3.264 N/A ARG 69.A N SER 66.A OG no hydrogen 3.428 N/A VAL 70.A N VAL 830.A O no hydrogen 2.921 N/A LEU 71.A N ILE 62.A O no hydrogen 2.985 N/A ARG 72.A N GLU 828.A O no hydrogen 2.853 N/A ARG 72.A NH1 GLN 834.A O no hydrogen 3.567 N/A VAL 73.A N ARG 60.A O no hydrogen 2.895 N/A ASP 74.A N ILE 826.A O no hydrogen 3.247 N/A THR 75.A N SER 58.A O no hydrogen 3.214 N/A THR 75.A OG1 ILE 57.A O no hydrogen 3.129 N/A THR 75.A OG1 SER 58.A O no hydrogen 3.238 N/A TYR 76.A OH ASP 665.A O no hydrogen 3.043 N/A GLU 79.A N THR 75.A O no hydrogen 2.928 N/A MET 80.A N TYR 76.A O no hydrogen 2.875 N/A SER 81.A N TYR 77.A O no hydrogen 2.920 N/A SER 81.A OG GLU 78.A O no hydrogen 2.685 N/A LYS 94.A NZ GLU 91.A OE2 no hydrogen 3.347 N/A TYR 96.A N PRO 92.A O no hydrogen 2.942 N/A SER 97.A N GLU 93.A O no hydrogen 2.932 N/A SER 97.A OG GLU 93.A O no hydrogen 3.125 N/A THR 98.A N LYS 94.A O no hydrogen 2.839 N/A THR 98.A OG1 LYS 94.A O no hydrogen 2.742 N/A ILE 99.A N PHE 95.A O no hydrogen 2.992 N/A ILE 100.A N TYR 96.A O no hydrogen 2.933 N/A LYS 101.A N SER 97.A O no hydrogen 2.874 N/A LYS 102.A N THR 98.A O no hydrogen 2.932 N/A LYS 102.A NZ LEU 666.A O no hydrogen 2.961 N/A VAL 103.A N ILE 99.A O no hydrogen 2.970 N/A ARG 104.A N ILE 100.A O no hydrogen 2.894 N/A ARG 104.A NE GLU 653.A OE2 no hydrogen 2.741 N/A ARG 104.A NH2 ASP 582.A OD2 no hydrogen 3.248 N/A PHE 105.A N LYS 101.A O no hydrogen 2.903 N/A ILE 106.A N LYS 102.A O no hydrogen 2.955 N/A ARG 107.A N VAL 103.A O no hydrogen 2.928 N/A ARG 107.A NE GLU 653.A OE1 no hydrogen 2.880 N/A ARG 107.A NH2 GLU 653.A OE1 no hydrogen 3.295 N/A GLY 108.A N ARG 104.A O no hydrogen 2.888 N/A LYS 109.A N PHE 105.A O no hydrogen 2.954 N/A LYS 109.A NZ GLU 79.A OE2 no hydrogen 2.806 N/A SER 111.A OG GLY 108.A O no hydrogen 3.536 N/A ILE 113.A N LYS 50.A O no hydrogen 2.901 N/A HIS 115.A NE2 MET 850.A O no hydrogen 3.115 N/A ASP 116.A N TYR 846.A O no hydrogen 3.471 N/A ARG 120.A N VAL 127.A O no hydrogen 2.927 N/A ARG 120.A NH2 ASP 157.A OD1 no hydrogen 2.548 N/A HIS 122.A N MET 125.A O no hydrogen 2.911 N/A MET 125.A N HIS 122.A O no hydrogen 2.910 N/A VAL 127.A N ARG 120.A O no hydrogen 2.838 N/A ALA 128.A N SER 159.A O no hydrogen 3.376 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.589 N/A VAL 132.A N GLU 129.A O no hydrogen 2.817 N/A GLU 136.A N PHE 59.A O no hydrogen 3.351 N/A LEU 144.A N LEU 141.A O no hydrogen 3.166 N/A ALA 146.A N THR 145.A OG1 no hydrogen 2.681 N/A ARG 149.A N THR 145.A O no hydrogen 3.407 N/A ILE 152.A N HIS 148.A O no hydrogen 2.900 N/A GLN 153.A N ARG 149.A O no hydrogen 2.936 N/A ASN 154.A N ALA 150.A O no hydrogen 2.908 N/A ALA 155.A N MET 151.A O no hydrogen 2.905 N/A LEU 156.A N ILE 152.A O no hydrogen 2.891 N/A ASP 157.A N GLN 153.A O no hydrogen 2.926 N/A GLY 158.A N ALA 155.A O no hydrogen 3.297 N/A SER 159.A OG LEU 156.A O no hydrogen 3.310 N/A ILE 161.A N GLU 126.A O no hydrogen 2.873 N/A GLU 162.A N VAL 173.A O no hydrogen 2.931 N/A GLY 164.A N VAL 171.A O no hydrogen 2.908 N/A VAL 166.A N ARG 169.A O no hydrogen 2.940 N/A VAL 171.A N GLY 164.A O no hydrogen 2.898 N/A ASP 172.A N ALA 845.A O no hydrogen 2.911 N/A VAL 173.A N GLU 162.A O no hydrogen 2.880 N/A PHE 174.A N PHE 843.A O no hydrogen 2.945 N/A GLY 176.A N ARG 841.A O no hydrogen 2.877 N/A CYS 178.A SG SER 179.A O no hydrogen 3.541 N/A SER 179.A OG SER 58.A OG no hydrogen 2.682 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.877 N/A TYR 183.A N SER 179.A O no hydrogen 2.912 N/A ARG 184.A N GLU 180.A O no hydrogen 2.919 N/A ARG 184.A NE GLU 655.A OE1 no hydrogen 3.285 N/A ILE 185.A N PRO 181.A O no hydrogen 2.963 N/A TYR 186.A N VAL 182.A O no hydrogen 2.901 N/A ASN 187.A N TYR 183.A O no hydrogen 2.877 N/A ARG 188.A N ARG 184.A O no hydrogen 2.944 N/A ARG 188.A NH1 ARG 188.A O no hydrogen 3.230 N/A LEU 189.A N ILE 185.A O no hydrogen 2.926 N/A GLN 190.A N TYR 186.A O no hydrogen 2.920 N/A GLY 191.A N ASN 187.A O no hydrogen 2.929 N/A TYR 192.A N ARG 188.A O no hydrogen 2.922 N/A TYR 192.A OH LEU 236.A O no hydrogen 3.356 N/A ILE 193.A N LEU 189.A O no hydrogen 2.922 N/A GLU 194.A N GLN 190.A O no hydrogen 2.949 N/A ALA 195.A N GLY 191.A O no hydrogen 2.920 N/A VAL 196.A N TYR 192.A O no hydrogen 2.910 N/A GLN 197.A N ILE 193.A O no hydrogen 2.925 N/A LEU 198.A N GLU 194.A O no hydrogen 2.943 N/A LEU 198.A N ALA 195.A O no hydrogen 3.258 N/A GLN 199.A N ALA 195.A O no hydrogen 3.024 N/A ASN 203.A N GLN 199.A O no hydrogen 3.418 N/A SER 204.A N GLU 200.A O no hydrogen 2.934 N/A SER 204.A OG GLU 200.A O no hydrogen 2.990 N/A ILE 205.A N LEU 201.A O no hydrogen 2.955 N/A GLY 206.A N ARG 202.A O no hydrogen 2.897 N/A TRP 207.A N ASN 203.A O no hydrogen 2.940 N/A TRP 207.A NE1 PRO 433.A O no hydrogen 2.992 N/A LEU 208.A N SER 204.A O no hydrogen 2.929 N/A GLU 209.A N ILE 205.A O no hydrogen 2.914 N/A ARG 210.A N GLY 206.A O no hydrogen 2.948 N/A LEU 211.A N TRP 207.A O no hydrogen 2.921 N/A GLY 212.A N LEU 208.A O no hydrogen 2.894 N/A HIS 213.A N GLU 209.A O no hydrogen 2.913 N/A ARG 214.A N ARG 210.A O no hydrogen 2.950 N/A ARG 214.A NE ASN 504.A O no hydrogen 3.517 N/A ARG 214.A NH2 ASN 504.A O no hydrogen 3.390 N/A LYS 215.A N LEU 211.A O no hydrogen 2.886 N/A LYS 215.A NZ ASP 506.A O no hydrogen 3.329 N/A LYS 215.A NZ HIS 508.A O no hydrogen 3.354 N/A ARG 216.A NH1 GLU 505.A OE1 no hydrogen 2.400 N/A ILE 217.A N GLY 212.A O no hydrogen 2.861 N/A THR 218.A N THR 863.A O no hydrogen 2.922 N/A GLN 221.A NE2 GLU 209.A OE2 no hydrogen 2.749 N/A LEU 224.A N GLN 221.A O no hydrogen 3.376 N/A THR 225.A N GLU 222.A O no hydrogen 3.388 N/A THR 225.A OG1 GLU 222.A O no hydrogen 2.939 N/A ARG 228.A NH1 LYS 849.A O no hydrogen 3.431 N/A ARG 229.A N ASP 226.A O no hydrogen 3.383 N/A ASP 231.A N ARG 228.A O no hydrogen 3.471 N/A THR 232.A OG1 ARG 228.A O no hydrogen 2.540 N/A ILE 233.A N ARG 851.A O no hydrogen 3.133 N/A TRP 234.A N GLN 197.A OE1 no hydrogen 2.640 N/A VAL 242.A N LEU 240.A O no hydrogen 2.583 N/A ASN 243.A N GLN 645.A OE1 no hydrogen 3.027 N/A GLN 245.A N ASN 243.A OD1 no hydrogen 3.250 N/A GLN 245.A NE2 ASP 249.A OD1 no hydrogen 2.526 N/A TRP 248.A NE1 VAL 510.A O no hydrogen 2.613 N/A SER 253.A OG VAL 250.A O no hydrogen 2.875 N/A ASN 257.A N SER 253.A O no hydrogen 3.199 N/A LEU 258.A N SER 254.A O no hydrogen 2.939 N/A ILE 259.A N ILE 255.A O no hydrogen 2.914 N/A MET 260.A N ALA 256.A O no hydrogen 2.906 N/A ASN 261.A N ASN 257.A O no hydrogen 2.902 N/A ILE 262.A N LEU 258.A O no hydrogen 2.937 N/A ALA 263.A N ILE 259.A O no hydrogen 2.909 N/A THR 264.A N MET 260.A O no hydrogen 2.890 N/A THR 264.A OG1 MET 260.A O no hydrogen 3.026 N/A CYS 265.A N ASN 261.A O no hydrogen 2.923 N/A CYS 265.A SG ASP 506.A O no hydrogen 3.251 N/A LEU 266.A N ILE 262.A O no hydrogen 3.432 N/A THR 268.A N HIS 557.A O no hydrogen 2.916 N/A THR 268.A OG1 HIS 557.A ND1 no hydrogen 3.252 N/A THR 268.A OG1 HIS 557.A O no hydrogen 3.089 N/A GLU 270.A N GLU 554.A O no hydrogen 3.242 N/A ILE 272.A N SER 552.A O no hydrogen 3.160 N/A ILE 278.A N ASN 275.A O no hydrogen 3.271 N/A SER 279.A OG PRO 276.A O no hydrogen 3.037 N/A SER 280.A N PRO 276.A O no hydrogen 3.397 N/A SER 280.A OG ARG 277.A O no hydrogen 2.741 N/A ILE 281.A N ARG 277.A O no hydrogen 2.918 N/A THR 282.A N ILE 278.A O no hydrogen 2.914 N/A THR 282.A OG1 ILE 278.A O no hydrogen 2.440 N/A LEU 283.A N SER 279.A O no hydrogen 2.859 N/A THR 284.A N SER 279.A O no hydrogen 3.026 N/A THR 284.A OG1 SER 279.A O no hydrogen 3.324 N/A GLN 285.A NE2 SER 480.A OG no hydrogen 3.285 N/A ILE 295.A N GLY 291.A O no hydrogen 3.009 N/A LEU 296.A N PRO 292.A O no hydrogen 2.945 N/A THR 297.A N PHE 293.A O no hydrogen 2.899 N/A THR 297.A OG1 PHE 293.A O no hydrogen 2.235 N/A SER 299.A OG LEU 296.A O no hydrogen 3.007 N/A THR 302.A N GLN 305.A OE1 no hydrogen 3.336 N/A GLN 304.A N GLN 304.A OE1 no hydrogen 2.682 N/A LEU 306.A N THR 302.A O no hydrogen 3.065 N/A ASN 307.A N ALA 303.A O no hydrogen 2.939 N/A ASP 308.A N GLN 304.A O no hydrogen 2.902 N/A VAL 309.A N GLN 305.A O no hydrogen 2.930 N/A ARG 310.A N LEU 306.A O no hydrogen 2.917 N/A ARG 310.A NE ASN 307.A OD1 no hydrogen 3.542 N/A LYS 311.A N ASN 307.A O no hydrogen 2.917 N/A ILE 312.A N ASP 308.A O no hydrogen 2.916 N/A TYR 313.A N VAL 309.A O no hydrogen 2.951 N/A TYR 313.A OH ARG 551.A O no hydrogen 2.468 N/A LEU 314.A N ARG 310.A O no hydrogen 2.913 N/A ALA 315.A N LYS 311.A O no hydrogen 2.924 N/A LEU 316.A N ILE 312.A O no hydrogen 2.903 N/A MET 317.A N TYR 313.A O no hydrogen 2.937 N/A ILE 323.A N VAL 536.A O no hydrogen 2.848 N/A ASP 325.A N LEU 538.A O no hydrogen 2.665 N/A LEU 326.A N ASP 325.A OD1 no hydrogen 2.468 N/A LYS 327.A N VAL 540.A O no hydrogen 3.223 N/A MET 334.A N GLY 331.A O no hydrogen 2.908 N/A ASP 335.A N GLY 331.A O no hydrogen 3.047 N/A ARG 339.A NH2 ASP 373.A OD2 no hydrogen 2.741 N/A MET 340.A N PRO 336.A O no hydrogen 2.924 N/A VAL 341.A N ALA 337.A O no hydrogen 2.963 N/A ALA 342.A N VAL 338.A O no hydrogen 2.890 N/A GLY 343.A N ARG 339.A O no hydrogen 2.892 N/A VAL 344.A N MET 340.A O no hydrogen 2.976 N/A VAL 345.A N VAL 341.A O no hydrogen 2.926 N/A GLY 346.A N ALA 342.A O no hydrogen 2.889 N/A HIS 347.A ND1 GLY 417.A O no hydrogen 2.817 N/A LEU 348.A N VAL 345.A O no hydrogen 2.909 N/A LEU 349.A N VAL 345.A O no hydrogen 2.929 N/A PHE 350.A N GLY 346.A O no hydrogen 3.351 N/A THR 357.A OG1 LEU 359.A O no hydrogen 3.046 N/A ASN 358.A N THR 351.A O no hydrogen 2.910 N/A LEU 359.A N THR 357.A OG1 no hydrogen 3.246 N/A THR 360.A OG1 LEU 324.A O no hydrogen 3.421 N/A ALA 364.A N THR 360.A O no hydrogen 3.292 N/A ARG 365.A N GLN 361.A O no hydrogen 2.941 N/A GLN 366.A N ASN 362.A O no hydrogen 2.929 N/A LEU 367.A N MET 363.A O no hydrogen 2.917 N/A ASP 368.A N ALA 364.A O no hydrogen 2.926 N/A ILE 369.A N ARG 365.A O no hydrogen 2.949 N/A ALA 370.A N GLN 366.A O no hydrogen 2.915 N/A LEU 371.A N LEU 367.A O no hydrogen 2.934 N/A ASN 372.A N ASP 368.A O no hydrogen 2.921 N/A ASP 373.A N ILE 369.A O no hydrogen 2.923 N/A TYR 374.A N ALA 370.A O no hydrogen 2.931 N/A LEU 375.A N LEU 371.A O no hydrogen 2.915 N/A VAL 383.A N ASN 380.A O no hydrogen 3.210 N/A ASN 386.A N GLN 397.A O no hydrogen 2.925 N/A THR 390.A N ASP 395.A OD2 no hydrogen 3.395 N/A THR 390.A OG1 ASP 395.A OD2 no hydrogen 2.240 N/A GLU 392.A N THR 390.A OG1 no hydrogen 3.405 N/A ASP 395.A N GLU 392.A O no hydrogen 3.364 N/A GLN 397.A N ASN 386.A O no hydrogen 2.879 N/A ILE 398.A N TYR 403.A O no hydrogen 3.167 N/A GLN 402.A N GLY 399.A O no hydrogen 3.463 N/A GLN 402.A NE2 ASN 386.A OD1 no hydrogen 3.155 N/A GLN 402.A NE2 GLN 397.A OE1 no hydrogen 3.442 N/A TYR 403.A N ILE 398.A O no hydrogen 2.907 N/A TYR 403.A OH GLU 468.A OE1 no hydrogen 2.403 N/A CYS 405.A N PHE 396.A O no hydrogen 3.443 N/A CYS 405.A SG PHE 396.A O no hydrogen 3.642 N/A ASN 406.A N ASP 404.A OD1 no hydrogen 3.157 N/A ASN 406.A ND2 ASP 395.A OD1 no hydrogen 3.536 N/A PHE 408.A N CYS 405.A O no hydrogen 2.940 N/A ARG 409.A N ASN 406.A O no hydrogen 3.454 N/A ARG 409.A NE PRO 393.A O no hydrogen 3.380 N/A ALA 410.A N ASP 368.A OD2 no hydrogen 3.022 N/A THR 414.A N ASP 411.A O no hydrogen 3.138 N/A GLY 415.A N ASP 411.A O no hydrogen 2.575 N/A THR 416.A OG1 VAL 407.A O no hydrogen 3.118 N/A THR 416.A OG1 ARG 409.A O no hydrogen 3.340 N/A ASN 419.A ND2 LEU 348.A O no hydrogen 3.116 N/A TRP 421.A N TYR 418.A O no hydrogen 3.089 N/A GLU 427.A N TYR 440.A O no hydrogen 2.942 N/A TYR 428.A OH ASN 519.A OD1 no hydrogen 3.363 N/A ARG 429.A NH2 ASP 447.A OD2 no hydrogen 3.380 N/A HIS 436.A NE2 SER 512.A O no hydrogen 2.948 N/A GLN 438.A N ASP 515.A OD2 no hydrogen 2.967 N/A ARG 439.A NH1 LEU 513.A O no hydrogen 2.697 N/A ARG 439.A NH1 ASP 515.A OD1 no hydrogen 3.311 N/A ARG 439.A NH2 LEU 513.A O no hydrogen 2.698 N/A TYR 440.A N GLU 427.A O no hydrogen 2.883 N/A ILE 441.A N ASN 504.A OD1 no hydrogen 3.403 N/A ARG 442.A N ASP 425.A O no hydrogen 2.860 N/A ARG 442.A NH1 GLU 427.A OE2 no hydrogen 2.345 N/A TYR 443.A OH LEU 316.A O no hydrogen 3.256 N/A ILE 446.A N TYR 443.A O no hydrogen 3.276 N/A SER 448.A OG SER 448.A O no hydrogen 2.371 N/A GLU 450.A N GLU 450.A OE1 no hydrogen 2.606 N/A THR 455.A N ASN 453.A OD1 no hydrogen 3.314 N/A THR 455.A OG1 ASN 453.A OD1 no hydrogen 3.053 N/A THR 456.A N ASN 453.A O no hydrogen 3.302 N/A TYR 457.A N ASN 453.A O no hydrogen 3.144 N/A TYR 457.A OH GLU 450.A OE2 no hydrogen 3.336 N/A THR 462.A OG1 TYR 463.A O no hydrogen 3.544 N/A THR 462.A OG1 ASN 467.A OD1 no hydrogen 2.604 N/A TYR 463.A OH ASN 419.A OD1 no hydrogen 3.426 N/A TYR 463.A OH HIS 492.A NE2 no hydrogen 2.919 N/A CYS 465.A SG HIS 347.A O no hydrogen 3.855 N/A TYR 466.A OH PHE 485.A O no hydrogen 2.353 N/A ASN 467.A N TYR 463.A O no hydrogen 3.319 N/A GLU 468.A N HIS 464.A O no hydrogen 2.945 N/A MET 469.A N CYS 465.A O no hydrogen 2.902 N/A LEU 470.A N TYR 466.A O no hydrogen 2.935 N/A ARG 471.A N ASN 467.A O no hydrogen 2.900 N/A MET 472.A N GLU 468.A O no hydrogen 2.939 N/A LEU 473.A N MET 469.A O no hydrogen 2.915 N/A VAL 474.A N LEU 470.A O no hydrogen 2.929 N/A ALA 475.A N ARG 471.A O no hydrogen 2.913 N/A ALA 476.A N MET 472.A O no hydrogen 2.977 N/A LYS 478.A N LEU 473.A O no hydrogen 2.985 N/A SER 480.A OG ASP 479.A OD1 no hydrogen 3.162 N/A GLU 481.A N GLU 481.A OE1 no hydrogen 2.717 N/A ALA 482.A N LYS 478.A O no hydrogen 3.229 N/A ALA 483.A N ASP 479.A O no hydrogen 2.920 N/A TYR 484.A N SER 480.A O no hydrogen 2.918 N/A PHE 485.A N GLU 481.A O no hydrogen 2.935 N/A ARG 486.A N ALA 482.A O no hydrogen 2.899 N/A SER 487.A N ALA 483.A O no hydrogen 2.932 N/A SER 487.A OG ALA 483.A O no hydrogen 3.076 N/A MET 488.A N TYR 484.A O no hydrogen 2.908 N/A HIS 492.A N MET 488.A O no hydrogen 3.262 N/A HIS 492.A NE2 TYR 463.A OH no hydrogen 2.919 N/A MET 493.A N LEU 489.A O no hydrogen 2.935 N/A VAL 494.A N PRO 490.A O no hydrogen 2.916 N/A ARG 495.A N PHE 491.A O no hydrogen 3.006 N/A ARG 495.A NH1 PHE 549.A O no hydrogen 2.806 N/A ARG 495.A NH2 PHE 549.A O no hydrogen 2.423 N/A ALA 497.A N MET 493.A O no hydrogen 2.981 N/A ARG 498.A N VAL 494.A O no hydrogen 2.971 N/A ILE 499.A N ARG 495.A O no hydrogen 2.939 N/A ASN 500.A N PHE 496.A O no hydrogen 2.903 N/A ASN 500.A ND2 ILE 441.A O no hydrogen 3.640 N/A GLN 501.A N ALA 497.A O no hydrogen 2.980 N/A GLN 501.A NE2 GLU 505.A OE1 no hydrogen 3.266 N/A ILE 502.A N ARG 498.A O no hydrogen 2.935 N/A ILE 503.A N ILE 499.A O no hydrogen 2.911 N/A ASN 504.A N ASN 500.A O no hydrogen 2.907 N/A ASN 504.A ND2 ILE 441.A O no hydrogen 2.847 N/A GLU 505.A N GLN 501.A O no hydrogen 2.957 N/A ASP 506.A N ILE 502.A O no hydrogen 3.022 N/A HIS 508.A NE2 ALA 437.A O no hydrogen 3.083 N/A SER 509.A OG GLU 569.A OE2 no hydrogen 2.968 N/A VAL 510.A N GLU 569.A OE2 no hydrogen 3.320 N/A SER 512.A N SER 509.A O no hydrogen 3.165 N/A SER 512.A OG HIS 436.A NE2 no hydrogen 3.308 N/A SER 512.A OG SER 509.A O no hydrogen 2.632 N/A ASP 515.A N HIS 436.A O no hydrogen 3.243 N/A PHE 518.A N PRO 514.A O no hydrogen 2.976 N/A PHE 518.A N ASP 515.A O no hydrogen 3.218 N/A ASN 519.A N ASP 515.A O no hydrogen 3.283 N/A ASN 519.A ND2 TYR 428.A OH no hydrogen 3.274 N/A ASP 524.A N ALA 520.A O no hydrogen 3.156 N/A LEU 525.A N LEU 521.A O no hydrogen 2.909 N/A ILE 526.A N LEU 522.A O no hydrogen 2.928 N/A ALA 527.A N PRO 523.A O no hydrogen 2.897 N/A ALA 529.A N ASP 524.A O no hydrogen 3.062 N/A VAL 536.A N GLN 321.A O no hydrogen 3.039 N/A LEU 538.A N ILE 323.A O no hydrogen 2.932 N/A VAL 540.A N ASP 325.A O no hydrogen 2.970 N/A SER 541.A N ASP 308.A OD2 no hydrogen 3.099 N/A SER 541.A OG ASP 308.A OD2 no hydrogen 2.825 N/A LEU 545.A N TRP 542.A O no hydrogen 3.320 N/A PHE 547.A N ILE 543.A O no hydrogen 2.985 N/A ALA 548.A N SER 544.A O no hydrogen 2.845 N/A PHE 549.A N LEU 545.A O no hydrogen 2.953 N/A ASN 550.A ND2 TRP 546.A O no hydrogen 2.810 N/A ARG 551.A N ALA 548.A O no hydrogen 3.324 N/A ARG 551.A NE ASN 550.A O no hydrogen 3.066 N/A SER 552.A N ILE 272.A O no hydrogen 3.213 N/A GLU 554.A N GLU 270.A O no hydrogen 3.124 N/A THR 556.A N THR 268.A O no hydrogen 2.965 N/A HIS 557.A N THR 268.A O no hydrogen 2.918 N/A HIS 557.A ND1 THR 268.A OG1 no hydrogen 3.252 N/A HIS 557.A NE2 GLU 560.A OE2 no hydrogen 2.941 N/A ARG 558.A NH1 LEU 865.A O no hydrogen 3.174 N/A ARG 558.A NH2 LYS 215.A O no hydrogen 3.271 N/A ARG 558.A NH2 ASP 506.A OD1 no hydrogen 2.654 N/A ASN 559.A ND2 ALA 263.A O no hydrogen 3.110 N/A GLU 560.A N ASN 559.A OD1 no hydrogen 2.642 N/A GLU 563.A N GLU 563.A OE1 no hydrogen 2.669 N/A ILE 568.A N VAL 564.A O no hydrogen 3.488 N/A GLU 569.A N ALA 565.A O no hydrogen 2.896 N/A SER 570.A N PRO 566.A O no hydrogen 2.911 N/A SER 570.A OG PRO 566.A O no hydrogen 3.289 N/A SER 570.A OG LEU 567.A O no hydrogen 2.635 N/A VAL 571.A N LEU 567.A O no hydrogen 2.963 N/A TYR 572.A N ILE 568.A O no hydrogen 2.939 N/A ALA 573.A N GLU 569.A O no hydrogen 2.987 N/A SER 574.A N SER 570.A O no hydrogen 2.908 N/A SER 574.A OG SER 570.A O no hydrogen 2.660 N/A GLU 575.A N VAL 571.A O no hydrogen 2.957 N/A LEU 576.A N TYR 572.A O no hydrogen 3.006 N/A SER 577.A N ALA 573.A O no hydrogen 2.951 N/A SER 577.A OG ALA 573.A O no hydrogen 2.892 N/A VAL 578.A N SER 574.A O no hydrogen 2.947 N/A MET 579.A N GLU 575.A O no hydrogen 3.001 N/A LYS 580.A N LEU 576.A O no hydrogen 2.948 N/A LYS 580.A NZ LEU 641.A O no hydrogen 2.986 N/A LYS 580.A NZ SER 643.A O no hydrogen 3.081 N/A VAL 581.A N SER 577.A O no hydrogen 2.952 N/A ASP 582.A N VAL 578.A O no hydrogen 2.976 N/A MET 583.A N MET 579.A O no hydrogen 2.961 N/A ARG 584.A N LYS 580.A O no hydrogen 2.917 N/A ARG 584.A NE VAL 639.A O no hydrogen 3.337 N/A ARG 584.A NH2 VAL 639.A O no hydrogen 3.035 N/A HIS 585.A N VAL 581.A O no hydrogen 2.990 N/A LEU 586.A N ASP 582.A O no hydrogen 2.929 N/A MET 589.A N LEU 586.A O no hydrogen 3.486 N/A GLN 590.A NE2 ALA 600.A O no hydrogen 3.420 N/A ARG 592.A N LEU 588.A O no hydrogen 2.981 N/A ARG 592.A NH2 ASN 661.A O no hydrogen 2.958 N/A PHE 593.A N MET 589.A O no hydrogen 3.004 N/A LEU 597.A N PHE 593.A O no hydrogen 3.380 N/A ALA 600.A N LEU 597.A O no hydrogen 3.415 N/A ARG 601.A N HIS 604.A ND1 no hydrogen 3.071 N/A ARG 601.A NH1 ALA 600.A O no hydrogen 3.332 N/A HIS 604.A N ARG 601.A O no hydrogen 3.044 N/A TRP 606.A N PRO 602.A O no hydrogen 2.994 N/A LYS 607.A N SER 603.A O no hydrogen 2.892 N/A ALA 608.A N HIS 604.A O no hydrogen 2.947 N/A VAL 609.A N PHE 605.A O no hydrogen 2.900 N/A LEU 610.A N TRP 606.A O no hydrogen 3.034 N/A ASN 611.A N LYS 607.A O no hydrogen 2.897 N/A ASN 611.A ND2 GLU 93.A OE2 no hydrogen 3.180 N/A ASP 612.A N VAL 609.A O no hydrogen 3.277 N/A SER 613.A N LEU 610.A O no hydrogen 3.299 N/A SER 613.A OG PRO 614.A O no hydrogen 3.380 N/A GLU 615.A N GLU 615.A OE1 no hydrogen 2.623 N/A LYS 618.A NZ LEU 610.A O no hydrogen 3.308 N/A ALA 619.A N GLU 615.A O no hydrogen 2.902 N/A VAL 620.A N ALA 616.A O no hydrogen 2.933 N/A MET 621.A N VAL 617.A O no hydrogen 2.957 N/A ASN 622.A N LYS 618.A O no hydrogen 2.870 N/A LEU 623.A N ALA 619.A O no hydrogen 2.926 N/A LEU 623.A N VAL 620.A O no hydrogen 3.301 N/A SER 624.A N MET 621.A O no hydrogen 3.115 N/A SER 624.A OG ARG 252.A O no hydrogen 2.485 N/A HIS 625.A N MET 621.A O no hydrogen 2.916 N/A HIS 625.A NE2 PRO 251.A O no hydrogen 3.099 N/A SER 626.A N ASN 622.A O no hydrogen 3.277 N/A ASN 631.A N ASP 634.A OD2 no hydrogen 3.107 N/A MET 635.A N ASN 631.A O no hydrogen 3.291 N/A MET 636.A N ILE 632.A O no hydrogen 2.892 N/A ARG 637.A N ARG 633.A O no hydrogen 2.915 N/A TRP 638.A N ASP 634.A O no hydrogen 2.892 N/A VAL 639.A N MET 635.A O no hydrogen 2.937 N/A MET 640.A N MET 636.A O no hydrogen 3.308 N/A SER 643.A N LEU 641.A O no hydrogen 3.122 N/A SER 643.A OG PRO 642.A O no hydrogen 2.856 N/A GLN 645.A N SER 577.A OG no hydrogen 3.008 N/A SER 647.A OG ALA 237.A O no hydrogen 3.089 N/A ALA 651.A N SER 647.A O no hydrogen 2.994 N/A LEU 652.A N LEU 648.A O no hydrogen 2.938 N/A GLU 653.A N LYS 649.A O no hydrogen 2.892 N/A GLU 654.A N LEU 650.A O no hydrogen 2.918 N/A GLU 655.A N ALA 651.A O no hydrogen 2.938 N/A ALA 656.A N LEU 652.A O no hydrogen 2.893 N/A TRP 657.A N GLU 653.A O no hydrogen 2.918 N/A TRP 657.A NE1 ASP 582.A OD1 no hydrogen 2.842 N/A ALA 658.A N GLU 654.A O no hydrogen 2.926 N/A ALA 659.A N GLU 655.A O no hydrogen 2.903 N/A ALA 660.A N ALA 656.A O no hydrogen 3.262 N/A GLU 664.A N GLU 664.A OE1 no hydrogen 2.752 N/A ASP 665.A N ASP 662.A O no hydrogen 3.114 N/A LEU 666.A N PHE 663.A O no hydrogen 3.148 N/A THR 669.A N ARG 748.A O no hydrogen 3.187 N/A ASP 670.A N THR 669.A OG1 no hydrogen 2.693 N/A TYR 673.A N LYS 819.A O no hydrogen 2.774 N/A MET 674.A N VAL 741.A O no hydrogen 3.088 N/A HIS 675.A NE2 ASP 738.A OD1 no hydrogen 2.664 N/A ARG 676.A NH1 ASP 736.A OD1 no hydrogen 3.025 N/A ARG 676.A NH2 ASP 736.A OD1 no hydrogen 3.497 N/A ASP 677.A N THR 816.A O no hydrogen 2.944 N/A LEU 679.A N THR 814.A O no hydrogen 3.149 N/A LEU 684.A N PRO 805.A O no hydrogen 3.050 N/A GLU 688.A N GLU 688.A OE1 no hydrogen 2.607 N/A PHE 690.A N ASP 686.A O no hydrogen 3.087 N/A ARG 691.A N ILE 687.A O no hydrogen 2.895 N/A GLN 692.A N GLU 688.A O no hydrogen 2.909 N/A GLU 693.A N PHE 690.A O no hydrogen 3.324 N/A PHE 695.A N GLU 693.A O no hydrogen 3.000 N/A TYR 697.A N LEU 795.A O no hydrogen 2.917 N/A TYR 697.A OH ASP 677.A OD2 no hydrogen 2.825 N/A ASN 699.A ND2 THR 791.A O no hydrogen 3.413 N/A ASN 699.A ND2 THR 818.A O no hydrogen 3.381 N/A MET 700.A N THR 698.A OG1 no hydrogen 3.155 N/A LEU 701.A N VAL 820.A O no hydrogen 2.988 N/A ARG 709.A N GLU 706.A O no hydrogen 3.116 N/A VAL 711.A N TRP 740.A O no hydrogen 2.971 N/A TYR 713.A N ARG 742.A O no hydrogen 3.019 N/A ALA 718.A N THR 714.A O no hydrogen 3.275 N/A ARG 719.A N TYR 715.A O no hydrogen 2.908 N/A LEU 720.A N GLU 716.A O no hydrogen 2.913 N/A GLN 721.A N ILE 717.A O no hydrogen 2.927 N/A GLN 721.A NE2 TYR 713.A OH no hydrogen 3.498 N/A ALA 722.A N ALA 718.A O no hydrogen 2.873 N/A ASN 723.A N ARG 719.A O no hydrogen 2.923 N/A ASN 723.A N LEU 720.A O no hydrogen 3.314 N/A GLY 725.A N ALA 722.A O no hydrogen 3.336 N/A GLN 726.A N GLN 721.A O no hydrogen 2.732 N/A ALA 730.A N GLN 726.A O no hydrogen 3.215 N/A LEU 731.A N PHE 727.A O no hydrogen 2.954 N/A ARG 732.A N ARG 728.A O no hydrogen 2.904 N/A ARG 732.A NE ASP 736.A OD2 no hydrogen 3.272 N/A ARG 733.A N ALA 729.A O no hydrogen 2.910 N/A ILE 734.A N ALA 730.A O no hydrogen 2.901 N/A MET 735.A N LEU 731.A O no hydrogen 2.920 N/A ASP 736.A N ARG 732.A O no hydrogen 2.929 N/A ASP 738.A N MET 735.A O no hydrogen 3.290 N/A TRP 740.A N ARG 709.A O no hydrogen 3.137 N/A ARG 742.A N VAL 711.A O no hydrogen 3.267 N/A ARG 742.A NE GLY 744.A O no hydrogen 3.398 N/A ARG 742.A NH2 GLY 744.A O no hydrogen 3.447 N/A GLY 744.A N TYR 713.A O no hydrogen 3.000 N/A ARG 748.A N THR 669.A O no hydrogen 2.725 N/A ARG 748.A NE ALA 787.A O no hydrogen 3.376 N/A ARG 748.A NH1 PHE 743.A O no hydrogen 3.395 N/A ARG 748.A NH2 PHE 743.A O no hydrogen 2.856 N/A ARG 751.A N THR 790.A O no hydrogen 3.087 N/A ARG 751.A NH2 GLU 789.A OE2 no hydrogen 3.241 N/A LYS 753.A N ILE 792.A O no hydrogen 3.075 N/A TYR 755.A N TYR 794.A O no hydrogen 3.181 N/A SER 770.A N LYS 785.A O no hydrogen 2.879 N/A ASP 772.A N THR 783.A O no hydrogen 2.915 N/A ASN 774.A N TYR 781.A O no hydrogen 2.915 N/A ARG 776.A N LEU 779.A O no hydrogen 2.907 N/A LEU 779.A N ARG 776.A O no hydrogen 2.914 N/A TYR 781.A N ASN 774.A O no hydrogen 2.885 N/A THR 783.A N ASP 772.A O no hydrogen 2.893 N/A LYS 785.A N SER 770.A O no hydrogen 2.935 N/A TYR 786.A OH THR 714.A O no hydrogen 3.413 N/A ALA 787.A N PRO 768.A O no hydrogen 2.824 N/A THR 790.A N THR 749.A O no hydrogen 3.234 N/A ILE 792.A N ARG 751.A O no hydrogen 2.841 N/A PHE 793.A N ASN 699.A OD1 no hydrogen 3.368 N/A TYR 794.A N LYS 753.A O no hydrogen 3.280 N/A LEU 795.A N TYR 697.A O no hydrogen 2.882 N/A ILE 796.A N TYR 755.A O no hydrogen 3.286 N/A TYR 797.A OH PRO 680.A O no hydrogen 2.799 N/A VAL 799.A N GLN 65.A OE1 no hydrogen 3.132 N/A GLU 800.A N ASN 803.A OD1 no hydrogen 3.127 N/A ASN 803.A N GLU 800.A O no hydrogen 3.346 N/A SER 807.A N THR 804.A O no hydrogen 3.198 N/A SER 807.A OG THR 804.A O no hydrogen 3.109 N/A THR 816.A N ASP 677.A O no hydrogen 2.682 N/A THR 818.A OG1 MET 817.A O no hydrogen 2.774 N/A LYS 819.A N TYR 673.A O no hydrogen 2.946 N/A VAL 820.A N ASN 699.A O no hydrogen 3.305 N/A PHE 821.A N GLN 671.A O no hydrogen 3.250 N/A ARG 825.A NE GLU 828.A OE2 no hydrogen 2.407 N/A ARG 825.A NH2 GLU 828.A OE1 no hydrogen 3.482 N/A GLU 828.A N ARG 72.A O no hydrogen 2.968 N/A VAL 830.A N VAL 70.A O no hydrogen 2.904 N/A VAL 832.A N ASP 68.A O no hydrogen 3.021 N/A GLN 834.A N ARG 831.A O no hydrogen 3.314 N/A ARG 841.A N GLY 176.A O no hydrogen 2.914 N/A ARG 841.A NE CYS 178.A O no hydrogen 3.448 N/A ARG 842.A N TYR 183.A OH no hydrogen 3.436 N/A PHE 843.A N PHE 174.A O no hydrogen 2.896 N/A VAL 844.A N TYR 186.A OH no hydrogen 3.084 N/A ALA 845.A N ASP 172.A O no hydrogen 2.866 N/A MET 850.A N LYS 847.A O no hydrogen 3.500 N/A ARG 851.A NE THR 232.A OG1 no hydrogen 3.032 N/A ARG 851.A NH2 ASP 226.A OD2 no hydrogen 2.336 N/A MET 853.A N ILE 233.A O no hydrogen 3.481 N/A THR 856.A OG1 ASP 854.A OD1 no hydrogen 3.211 N/A THR 856.A OG1 ASP 854.A OD2 no hydrogen 3.219 N/A SER 858.A N ILE 855.A O no hydrogen 3.227 N/A SER 858.A OG ILE 855.A O no hydrogen 2.528 N/A LEU 859.A N THR 856.A O no hydrogen 3.370 N/A THR 863.A N THR 218.A O no hydrogen 2.892 N/A THR 863.A OG1 LYS 864.A O no hydrogen 3.372 N/A LYS 864.A NZ GLU 563.A OE1 no hydrogen 3.302 N/A