Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w12_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N GLY 270.A O no hydrogen 3.379 N/A LEU 8.A N SER 4.A O no hydrogen 3.410 N/A SER 9.A N GLY 5.A O no hydrogen 2.900 N/A SER 9.A OG GLY 5.A O no hydrogen 2.359 N/A VAL 10.A N PRO 6.A O no hydrogen 2.897 N/A PHE 11.A N LEU 7.A O no hydrogen 2.951 N/A ALA 12.A N LEU 8.A O no hydrogen 2.882 N/A LEU 13.A N SER 9.A O no hydrogen 2.906 N/A GLN 14.A N VAL 10.A O no hydrogen 2.893 N/A GLU 15.A N PHE 11.A O no hydrogen 2.977 N/A ILE 16.A N ALA 12.A O no hydrogen 2.903 N/A MET 17.A N LEU 13.A O no hydrogen 2.878 N/A GLN 18.A N GLN 14.A O no hydrogen 2.915 N/A GLN 18.A NE2 GLU 15.A O no hydrogen 3.009 N/A LYS 19.A N GLU 15.A O no hydrogen 2.948 N/A VAL 20.A N ILE 16.A O no hydrogen 2.922 N/A ARG 21.A N MET 17.A O no hydrogen 2.925 N/A GLN 22.A N GLN 18.A O no hydrogen 2.945 N/A VAL 23.A N LYS 19.A O no hydrogen 2.937 N/A GLN 24.A N VAL 20.A O no hydrogen 2.892 N/A ALA 25.A N ARG 21.A O no hydrogen 2.888 N/A TYR 27.A N GLN 24.A O no hydrogen 3.129 N/A GLN 35.A N ASP 33.A OD1 no hydrogen 3.443 N/A LEU 38.A N VAL 34.A O no hydrogen 2.906 N/A ASP 39.A N GLN 35.A O no hydrogen 2.878 N/A ASP 40.A N LYS 36.A O no hydrogen 2.953 N/A ILE 41.A N ILE 37.A O no hydrogen 2.925 N/A LYS 42.A N LEU 38.A O no hydrogen 2.935 N/A ALA 43.A N ASP 39.A O no hydrogen 2.914 N/A LEU 44.A N ASP 40.A O no hydrogen 2.899 N/A ALA 45.A N ILE 41.A O no hydrogen 2.915 N/A ALA 46.A N LYS 42.A O no hydrogen 2.932 N/A GLU 47.A N LEU 44.A O no hydrogen 3.264 N/A VAL 53.A N ILE 114.A O no hydrogen 3.389 N/A SER 59.A OG SER 180.A OG no hydrogen 3.152 N/A ARG 61.A N VAL 74.A O no hydrogen 2.966 N/A ARG 61.A NH2 GLU 79.A OE1 no hydrogen 2.688 N/A ARG 61.A NH2 GLU 79.A OE2 no hydrogen 3.463 N/A ILE 63.A N LEU 72.A O no hydrogen 2.890 N/A SER 67.A OG ASP 69.A OD1 no hydrogen 3.362 N/A VAL 71.A N VAL 821.A O no hydrogen 2.898 N/A LEU 72.A N ILE 63.A O no hydrogen 2.964 N/A ARG 73.A N GLU 819.A O no hydrogen 2.855 N/A ARG 73.A NH2 GLN 825.A O no hydrogen 3.486 N/A VAL 74.A N ARG 61.A O no hydrogen 2.911 N/A ASP 75.A N ILE 817.A O no hydrogen 3.303 N/A THR 76.A N SER 59.A O no hydrogen 2.963 N/A TYR 77.A N ASP 75.A OD1 no hydrogen 3.100 N/A GLU 80.A N THR 76.A O no hydrogen 2.909 N/A MET 81.A N TYR 77.A O no hydrogen 2.907 N/A SER 82.A N TYR 78.A O no hydrogen 2.914 N/A SER 82.A OG TYR 78.A O no hydrogen 3.406 N/A SER 82.A OG GLU 79.A O no hydrogen 3.301 N/A VAL 84.A N MET 81.A O no hydrogen 3.027 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.637 N/A LYS 95.A NZ GLU 94.A OE2 no hydrogen 3.068 N/A PHE 96.A N GLU 92.A O no hydrogen 3.231 N/A TYR 97.A N PRO 93.A O no hydrogen 2.935 N/A SER 98.A N GLU 94.A O no hydrogen 2.883 N/A SER 98.A OG GLU 94.A O no hydrogen 3.231 N/A SER 98.A OG LYS 95.A O no hydrogen 2.652 N/A THR 99.A N LYS 95.A O no hydrogen 2.905 N/A THR 99.A OG1 LYS 95.A O no hydrogen 2.895 N/A THR 99.A OG1 PHE 96.A O no hydrogen 2.385 N/A ILE 100.A N PHE 96.A O no hydrogen 2.963 N/A ILE 101.A N TYR 97.A O no hydrogen 2.922 N/A LYS 102.A N SER 98.A O no hydrogen 2.914 N/A LYS 103.A N THR 99.A O no hydrogen 2.907 N/A LYS 103.A NZ VAL 84.A O no hydrogen 3.166 N/A VAL 104.A N ILE 100.A O no hydrogen 2.976 N/A ARG 105.A N ILE 101.A O no hydrogen 2.902 N/A ARG 105.A NE GLU 648.A OE2 no hydrogen 2.743 N/A ARG 105.A NH1 ASP 613.A O no hydrogen 2.955 N/A ARG 105.A NH2 ASP 583.A OD2 no hydrogen 2.747 N/A ARG 105.A NH2 GLU 648.A OE2 no hydrogen 3.395 N/A PHE 106.A N LYS 102.A O no hydrogen 2.918 N/A ILE 107.A N LYS 103.A O no hydrogen 2.928 N/A ARG 108.A N VAL 104.A O no hydrogen 2.926 N/A ARG 108.A NH1 GLU 648.A OE1 no hydrogen 2.673 N/A GLY 109.A N ARG 105.A O no hydrogen 2.894 N/A LYS 110.A N PHE 106.A O no hydrogen 2.916 N/A LYS 110.A NZ GLU 80.A OE2 no hydrogen 3.508 N/A ILE 114.A N LYS 51.A O no hydrogen 3.122 N/A ASP 117.A N TYR 837.A O no hydrogen 3.166 N/A ARG 121.A N VAL 128.A O no hydrogen 2.907 N/A ARG 121.A NH2 ASP 158.A OD2 no hydrogen 2.452 N/A HIS 123.A N MET 126.A O no hydrogen 2.915 N/A MET 126.A N HIS 123.A O no hydrogen 2.904 N/A VAL 128.A N ARG 121.A O no hydrogen 2.883 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.584 N/A VAL 133.A N GLU 130.A O no hydrogen 3.079 N/A VAL 136.A N LEU 134.A O no hydrogen 2.873 N/A ASN 140.A ND2 HIS 62.A O no hydrogen 3.586 N/A LEU 145.A N LEU 142.A O no hydrogen 3.453 N/A ALA 147.A N THR 146.A OG1 no hydrogen 2.695 N/A ARG 150.A N THR 146.A O no hydrogen 3.191 N/A ALA 151.A N ALA 147.A O no hydrogen 2.920 N/A MET 152.A N GLU 148.A O no hydrogen 2.938 N/A ILE 153.A N HIS 149.A O no hydrogen 2.943 N/A GLN 154.A N ARG 150.A O no hydrogen 2.907 N/A GLN 154.A NE2 GLN 154.A O no hydrogen 2.796 N/A ASN 155.A N ALA 151.A O no hydrogen 2.945 N/A ALA 156.A N MET 152.A O no hydrogen 2.919 N/A LEU 157.A N ILE 153.A O no hydrogen 2.892 N/A ASP 158.A N GLN 154.A O no hydrogen 2.908 N/A GLY 159.A N ALA 156.A O no hydrogen 3.392 N/A GLU 163.A N VAL 174.A O no hydrogen 2.926 N/A GLY 165.A N VAL 172.A O no hydrogen 2.928 N/A VAL 167.A N ARG 170.A O no hydrogen 2.759 N/A THR 169.A OG1 ALA 168.A O no hydrogen 2.549 N/A ARG 170.A N VAL 167.A O no hydrogen 3.033 N/A ARG 170.A NE GLN 231.A OE1 no hydrogen 2.738 N/A VAL 172.A N GLY 165.A O no hydrogen 2.894 N/A ASP 173.A N ALA 836.A O no hydrogen 2.991 N/A VAL 174.A N GLU 163.A O no hydrogen 2.868 N/A PHE 175.A N PHE 834.A O no hydrogen 2.905 N/A GLY 177.A N ARG 832.A O no hydrogen 2.863 N/A CYS 179.A SG SER 180.A O no hydrogen 3.279 N/A SER 180.A OG SER 59.A OG no hydrogen 3.152 N/A SER 180.A OG ASP 75.A OD1 no hydrogen 3.190 N/A SER 180.A OG ASP 75.A OD2 no hydrogen 3.139 N/A TYR 184.A N SER 180.A O no hydrogen 3.249 N/A ARG 185.A N GLU 181.A O no hydrogen 2.913 N/A ILE 186.A N PRO 182.A O no hydrogen 2.934 N/A TYR 187.A N VAL 183.A O no hydrogen 2.927 N/A ASN 188.A N TYR 184.A O no hydrogen 2.843 N/A ARG 189.A N ARG 185.A O no hydrogen 2.939 N/A LEU 190.A N ILE 186.A O no hydrogen 2.945 N/A GLN 191.A N TYR 187.A O no hydrogen 2.913 N/A GLN 191.A NE2 GLU 195.A OE2 no hydrogen 3.171 N/A GLY 192.A N ASN 188.A O no hydrogen 2.868 N/A TYR 193.A N ARG 189.A O no hydrogen 2.943 N/A TYR 193.A OH LEU 237.A O no hydrogen 3.110 N/A ILE 194.A N LEU 190.A O no hydrogen 2.931 N/A GLU 195.A N GLN 191.A O no hydrogen 2.909 N/A ALA 196.A N GLY 192.A O no hydrogen 2.897 N/A VAL 197.A N TYR 193.A O no hydrogen 2.922 N/A LEU 199.A N ALA 196.A O no hydrogen 3.442 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.589 N/A SER 205.A N GLU 201.A O no hydrogen 2.903 N/A ILE 206.A N LEU 202.A O no hydrogen 2.962 N/A GLY 207.A N ARG 203.A O no hydrogen 2.907 N/A TRP 208.A N ASN 204.A O no hydrogen 2.893 N/A TRP 208.A NE1 PRO 434.A O no hydrogen 2.959 N/A LEU 209.A N SER 205.A O no hydrogen 2.940 N/A GLU 210.A N ILE 206.A O no hydrogen 2.929 N/A ARG 211.A N GLY 207.A O no hydrogen 2.912 N/A LEU 212.A N TRP 208.A O no hydrogen 2.911 N/A GLY 213.A N LEU 209.A O no hydrogen 2.928 N/A HIS 214.A N GLU 210.A O no hydrogen 2.888 N/A ARG 215.A N ARG 211.A O no hydrogen 2.958 N/A ARG 215.A NH1 TYR 441.A OH no hydrogen 2.356 N/A LYS 216.A N LEU 212.A O no hydrogen 3.292 N/A LYS 216.A NZ HIS 509.A O no hydrogen 3.565 N/A ARG 217.A NE GLU 506.A OE1 no hydrogen 3.087 N/A ILE 218.A N GLY 213.A O no hydrogen 3.315 N/A THR 219.A OG1 TYR 220.A O no hydrogen 3.509 N/A TYR 220.A OH GLU 564.A O no hydrogen 2.910 N/A GLU 223.A N SER 221.A OG no hydrogen 3.250 N/A GLU 223.A N GLU 223.A OE1 no hydrogen 2.763 N/A THR 226.A N GLU 223.A O no hydrogen 3.137 N/A THR 226.A OG1 GLN 222.A O no hydrogen 2.922 N/A ASP 227.A N GLU 223.A O no hydrogen 2.907 N/A ARG 229.A N THR 226.A O no hydrogen 3.105 N/A ARG 230.A NE ASP 232.A OD2 no hydrogen 2.633 N/A ARG 230.A NH2 ASP 232.A OD1 no hydrogen 2.873 N/A ARG 230.A NH2 ASP 232.A OD2 no hydrogen 3.219 N/A THR 233.A OG1 ASP 227.A O no hydrogen 3.385 N/A ILE 234.A N ARG 842.A O no hydrogen 3.160 N/A LEU 241.A N SER 205.A OG no hydrogen 3.415 N/A VAL 243.A N LEU 241.A O no hydrogen 2.544 N/A ASN 244.A N GLN 640.A OE1 no hydrogen 3.141 N/A GLN 246.A N ASN 244.A OD1 no hydrogen 3.022 N/A TRP 249.A NE1 SER 513.A O no hydrogen 2.917 N/A SER 254.A OG VAL 251.A O no hydrogen 2.768 N/A ASN 258.A N SER 254.A O no hydrogen 2.938 N/A LEU 259.A N SER 255.A O no hydrogen 2.921 N/A ILE 260.A N ILE 256.A O no hydrogen 2.901 N/A MET 261.A N ALA 257.A O no hydrogen 2.914 N/A ASN 262.A N ASN 258.A O no hydrogen 2.917 N/A ASN 262.A ND2 LEU 508.A O no hydrogen 3.577 N/A ILE 263.A N LEU 259.A O no hydrogen 2.950 N/A ALA 264.A N ILE 260.A O no hydrogen 2.896 N/A THR 265.A N MET 261.A O no hydrogen 2.913 N/A THR 265.A OG1 MET 261.A O no hydrogen 2.710 N/A THR 265.A OG1 ASN 262.A O no hydrogen 3.512 N/A CYS 266.A N ASN 262.A O no hydrogen 2.937 N/A CYS 266.A SG ASN 262.A OD1 no hydrogen 3.205 N/A CYS 266.A SG THR 265.A OG1 no hydrogen 3.692 N/A CYS 266.A SG ASP 507.A O no hydrogen 4.001 N/A THR 269.A N HIS 558.A O no hydrogen 2.943 N/A THR 269.A OG1 ASP 3.A O no hydrogen 3.123 N/A GLY 270.A N ASP 3.A O no hydrogen 2.992 N/A GLU 271.A N GLU 555.A O no hydrogen 2.823 N/A ILE 279.A N ASN 276.A O no hydrogen 3.005 N/A SER 280.A OG PRO 277.A O no hydrogen 2.276 N/A SER 281.A N PRO 277.A O no hydrogen 2.893 N/A SER 281.A OG ARG 278.A O no hydrogen 2.374 N/A ILE 282.A N ARG 278.A O no hydrogen 2.909 N/A THR 283.A N ILE 279.A O no hydrogen 2.895 N/A THR 283.A OG1 ILE 279.A O no hydrogen 3.068 N/A LEU 284.A N SER 280.A O no hydrogen 2.878 N/A THR 285.A N SER 281.A O no hydrogen 2.910 N/A THR 285.A OG1 SER 281.A O no hydrogen 3.043 N/A GLN 286.A N ILE 282.A O no hydrogen 2.874 N/A ARG 287.A N THR 283.A O no hydrogen 2.911 N/A ARG 287.A N LEU 284.A O no hydrogen 3.163 N/A ILE 288.A N THR 285.A O no hydrogen 3.374 N/A THR 289.A N GLN 286.A O no hydrogen 2.921 N/A THR 298.A OG1 LEU 297.A O no hydrogen 2.493 N/A SER 300.A N THR 298.A O no hydrogen 2.693 N/A THR 303.A N GLN 306.A OE1 no hydrogen 2.785 N/A LEU 307.A N THR 303.A O no hydrogen 3.179 N/A ASN 308.A N ALA 304.A O no hydrogen 2.947 N/A ASP 309.A N GLN 305.A O no hydrogen 2.879 N/A VAL 310.A N GLN 306.A O no hydrogen 2.901 N/A ARG 311.A N LEU 307.A O no hydrogen 2.914 N/A LYS 312.A N ASN 308.A O no hydrogen 2.916 N/A LYS 312.A NZ ASP 309.A OD1 no hydrogen 2.972 N/A ILE 313.A N ASP 309.A O no hydrogen 2.878 N/A TYR 314.A N VAL 310.A O no hydrogen 2.967 N/A TYR 314.A OH ALA 549.A O no hydrogen 2.473 N/A LEU 315.A N ARG 311.A O no hydrogen 2.912 N/A ALA 316.A N LYS 312.A O no hydrogen 2.884 N/A LEU 317.A N ILE 313.A O no hydrogen 2.906 N/A MET 318.A N TYR 314.A O no hydrogen 2.901 N/A PHE 319.A N LEU 315.A O no hydrogen 3.342 N/A ILE 324.A N VAL 537.A O no hydrogen 2.509 N/A LEU 325.A N ASN 359.A O no hydrogen 3.161 N/A LEU 327.A N ASP 326.A OD1 no hydrogen 2.610 N/A LYS 328.A N VAL 541.A O no hydrogen 2.961 N/A GLU 333.A N ASP 330.A OD1 no hydrogen 2.893 N/A ARG 334.A N GLU 333.A OE2 no hydrogen 2.700 N/A VAL 339.A N ASP 336.A OD2 no hydrogen 2.705 N/A ARG 340.A NH1 ASP 374.A OD2 no hydrogen 2.934 N/A ARG 340.A NH2 ASP 374.A OD2 no hydrogen 3.468 N/A MET 341.A N PRO 337.A O no hydrogen 2.949 N/A VAL 342.A N ALA 338.A O no hydrogen 2.994 N/A ALA 343.A N VAL 339.A O no hydrogen 2.896 N/A GLY 344.A N ARG 340.A O no hydrogen 2.923 N/A VAL 345.A N MET 341.A O no hydrogen 2.993 N/A VAL 346.A N VAL 342.A O no hydrogen 2.941 N/A GLY 347.A N ALA 343.A O no hydrogen 2.871 N/A HIS 348.A N GLY 344.A O no hydrogen 2.969 N/A LEU 349.A N VAL 345.A O no hydrogen 3.000 N/A LEU 350.A N VAL 346.A O no hydrogen 2.934 N/A PHE 351.A N GLY 347.A O no hydrogen 3.353 N/A THR 352.A OG1 ASN 420.A OD1 no hydrogen 3.418 N/A THR 358.A OG1 ALA 353.A O no hydrogen 2.805 N/A THR 358.A OG1 LEU 360.A O no hydrogen 3.325 N/A LEU 360.A N THR 358.A OG1 no hydrogen 3.280 N/A ARG 366.A N GLN 362.A O no hydrogen 2.949 N/A GLN 367.A N ASN 363.A O no hydrogen 2.966 N/A LEU 368.A N MET 364.A O no hydrogen 2.875 N/A ASP 369.A N ALA 365.A O no hydrogen 2.912 N/A ILE 370.A N ARG 366.A O no hydrogen 2.999 N/A ALA 371.A N GLN 367.A O no hydrogen 2.901 N/A LEU 372.A N LEU 368.A O no hydrogen 2.932 N/A ASN 373.A N ASP 369.A O no hydrogen 2.906 N/A ASP 374.A N ILE 370.A O no hydrogen 2.906 N/A TYR 375.A N ALA 371.A O no hydrogen 2.909 N/A LEU 376.A N LEU 372.A O no hydrogen 2.940 N/A LEU 377.A N ASP 374.A O no hydrogen 3.321 N/A TYR 378.A N ASP 374.A O no hydrogen 2.709 N/A GLN 385.A N GLN 385.A OE1 no hydrogen 2.636 N/A ASN 387.A N GLN 398.A O no hydrogen 2.921 N/A THR 391.A OG1 GLU 393.A OE1 no hydrogen 2.876 N/A THR 391.A OG1 ASP 396.A OD2 no hydrogen 3.524 N/A GLU 393.A N THR 391.A O no hydrogen 3.038 N/A GLN 398.A N ASN 387.A O no hydrogen 2.903 N/A GLY 400.A N GLN 385.A O no hydrogen 3.439 N/A PHE 409.A N CYS 406.A O no hydrogen 3.220 N/A ARG 410.A N ASN 407.A O no hydrogen 3.314 N/A ARG 410.A NH2 ASP 396.A OD1 no hydrogen 2.499 N/A ALA 414.A N ASP 412.A OD1 no hydrogen 3.115 N/A GLY 416.A N ASP 412.A O no hydrogen 2.960 N/A THR 417.A OG1 VAL 408.A O no hydrogen 3.484 N/A TRP 422.A N TYR 419.A O no hydrogen 3.144 N/A THR 424.A OG1 ASN 420.A O no hydrogen 3.561 N/A THR 424.A OG1 ASP 426.A OD1 no hydrogen 3.299 N/A GLU 428.A N TYR 441.A O no hydrogen 3.020 N/A TYR 435.A OH GLU 570.A OE2 no hydrogen 2.742 N/A ARG 440.A NH1 LEU 514.A O no hydrogen 2.892 N/A ARG 440.A NH2 LEU 514.A O no hydrogen 3.021 N/A TYR 441.A N GLU 428.A O no hydrogen 2.993 N/A ILE 442.A N ASN 505.A OD1 no hydrogen 3.201 N/A ARG 443.A NH1 ASP 448.A OD1 no hydrogen 2.482 N/A TYR 444.A OH LEU 317.A O no hydrogen 3.026 N/A ARG 450.A NH2 ASP 448.A OD2 no hydrogen 3.394 N/A GLU 451.A N GLU 451.A OE2 no hydrogen 2.501 N/A THR 456.A OG1 ASN 454.A OD1 no hydrogen 2.355 N/A THR 457.A N ASN 454.A O no hydrogen 3.314 N/A THR 457.A OG1 ASN 454.A OD1 no hydrogen 3.094 N/A TYR 458.A N ASN 454.A O no hydrogen 2.952 N/A CYS 466.A SG GLY 418.A O no hydrogen 3.294 N/A TYR 467.A OH PHE 486.A O no hydrogen 2.593 N/A ASN 468.A N TYR 464.A O no hydrogen 3.149 N/A GLU 469.A N HIS 465.A O no hydrogen 2.898 N/A MET 470.A N CYS 466.A O no hydrogen 2.944 N/A LEU 471.A N TYR 467.A O no hydrogen 2.891 N/A ARG 472.A N ASN 468.A O no hydrogen 2.939 N/A ARG 472.A NH1 GLU 469.A OE2 no hydrogen 3.012 N/A MET 473.A N GLU 469.A O no hydrogen 2.939 N/A LEU 474.A N MET 470.A O no hydrogen 2.856 N/A VAL 475.A N LEU 471.A O no hydrogen 2.905 N/A ALA 476.A N ARG 472.A O no hydrogen 2.897 N/A ALA 477.A N MET 473.A O no hydrogen 2.916 N/A GLY 478.A N VAL 475.A O no hydrogen 3.324 N/A LYS 479.A N LEU 474.A O no hydrogen 3.284 N/A GLU 482.A N GLU 482.A OE1 no hydrogen 2.695 N/A ALA 483.A N LYS 479.A O no hydrogen 3.446 N/A ALA 484.A N ASP 480.A O no hydrogen 2.934 N/A TYR 485.A N SER 481.A O no hydrogen 2.921 N/A PHE 486.A N GLU 482.A O no hydrogen 2.905 N/A ARG 487.A N ALA 483.A O no hydrogen 2.892 N/A SER 488.A N ALA 484.A O no hydrogen 2.963 N/A SER 488.A OG TYR 485.A O no hydrogen 2.469 N/A MET 489.A N TYR 485.A O no hydrogen 2.888 N/A LEU 490.A N PHE 486.A O no hydrogen 2.924 N/A HIS 493.A N MET 489.A O no hydrogen 3.083 N/A MET 494.A N LEU 490.A O no hydrogen 2.965 N/A VAL 495.A N PRO 491.A O no hydrogen 2.903 N/A ARG 496.A N PHE 492.A O no hydrogen 2.966 N/A PHE 497.A N HIS 493.A O no hydrogen 2.998 N/A ALA 498.A N MET 494.A O no hydrogen 2.859 N/A ARG 499.A N VAL 495.A O no hydrogen 2.948 N/A ARG 499.A NE GLU 555.A OE1 no hydrogen 2.682 N/A ARG 499.A NH1 GLN 502.A OE1 no hydrogen 3.383 N/A ARG 499.A NH2 GLU 555.A OE1 no hydrogen 3.463 N/A ILE 500.A N ARG 496.A O no hydrogen 2.946 N/A ASN 501.A N PHE 497.A O no hydrogen 2.882 N/A GLN 502.A N ALA 498.A O no hydrogen 2.941 N/A ILE 503.A N ARG 499.A O no hydrogen 2.943 N/A ILE 504.A N ILE 500.A O no hydrogen 2.956 N/A ASN 505.A N ASN 501.A O no hydrogen 2.909 N/A ASN 505.A ND2 ILE 442.A O no hydrogen 2.318 N/A ASN 505.A ND2 ASN 501.A O no hydrogen 3.509 N/A ASN 505.A ND2 ASN 501.A OD1 no hydrogen 2.395 N/A ASP 507.A N ILE 503.A O no hydrogen 3.366 N/A SER 513.A N SER 510.A O no hydrogen 3.406 N/A SER 513.A OG SER 510.A O no hydrogen 2.976 N/A ASP 516.A N HIS 437.A O no hydrogen 3.220 N/A ASN 520.A N ASP 516.A O no hydrogen 2.901 N/A ALA 521.A N ASP 517.A O no hydrogen 2.929 N/A ASP 525.A N ALA 521.A O no hydrogen 3.176 N/A LEU 526.A N LEU 522.A O no hydrogen 3.061 N/A ILE 527.A N LEU 523.A O no hydrogen 2.926 N/A ALA 528.A N PRO 524.A O no hydrogen 2.894 N/A GLY 529.A N ASP 525.A O no hydrogen 3.129 N/A GLN 532.A NE2 ALA 530.A O no hydrogen 3.373 N/A LEU 539.A N ILE 324.A O no hydrogen 2.664 N/A VAL 541.A N ASP 326.A O no hydrogen 3.147 N/A SER 542.A OG ASP 309.A OD2 no hydrogen 3.551 N/A SER 545.A N SER 542.A OG no hydrogen 3.268 N/A SER 545.A OG SER 542.A O no hydrogen 2.386 N/A LEU 546.A N TRP 543.A O no hydrogen 3.157 N/A PHE 548.A N ILE 544.A O no hydrogen 2.947 N/A ALA 549.A N SER 545.A O no hydrogen 2.873 N/A PHE 550.A N LEU 546.A O no hydrogen 2.916 N/A ASN 551.A N TRP 547.A O no hydrogen 2.909 N/A ARG 552.A N PHE 548.A O no hydrogen 2.919 N/A ARG 552.A NH2 ASN 551.A OD1 no hydrogen 2.813 N/A SER 553.A OG PHE 554.A O no hydrogen 3.538 N/A GLU 555.A N GLU 271.A O no hydrogen 3.047 N/A THR 557.A N THR 269.A O no hydrogen 2.756 N/A HIS 558.A N THR 269.A O no hydrogen 2.956 N/A ASN 560.A ND2 THR 265.A O no hydrogen 2.980 N/A GLU 564.A N GLU 564.A OE1 no hydrogen 2.580 N/A VAL 565.A N MET 562.A O no hydrogen 3.362 N/A ILE 569.A N VAL 565.A O no hydrogen 3.484 N/A GLU 570.A N ALA 566.A O no hydrogen 2.974 N/A SER 571.A N PRO 567.A O no hydrogen 2.885 N/A SER 571.A OG PRO 567.A O no hydrogen 3.168 N/A SER 571.A OG LEU 568.A O no hydrogen 2.646 N/A VAL 572.A N LEU 568.A O no hydrogen 2.942 N/A TYR 573.A N ILE 569.A O no hydrogen 2.956 N/A ALA 574.A N GLU 570.A O no hydrogen 2.955 N/A SER 575.A N SER 571.A O no hydrogen 2.909 N/A SER 575.A OG SER 571.A O no hydrogen 3.493 N/A SER 575.A OG VAL 572.A O no hydrogen 2.602 N/A GLU 576.A N VAL 572.A O no hydrogen 2.940 N/A LEU 577.A N TYR 573.A O no hydrogen 2.985 N/A SER 578.A N ALA 574.A O no hydrogen 2.916 N/A SER 578.A OG ALA 574.A O no hydrogen 3.155 N/A SER 578.A OG GLN 640.A O no hydrogen 3.404 N/A VAL 579.A N SER 575.A O no hydrogen 2.908 N/A MET 580.A N GLU 576.A O no hydrogen 2.948 N/A LYS 581.A N LEU 577.A O no hydrogen 2.971 N/A LYS 581.A NZ LEU 636.A O no hydrogen 3.204 N/A LYS 581.A NZ SER 638.A O no hydrogen 2.419 N/A VAL 582.A N SER 578.A O no hydrogen 2.926 N/A ASP 583.A N VAL 579.A O no hydrogen 2.931 N/A MET 584.A N MET 580.A O no hydrogen 2.961 N/A ARG 585.A N LYS 581.A O no hydrogen 2.966 N/A HIS 586.A N VAL 582.A O no hydrogen 2.909 N/A LEU 587.A N ASP 583.A O no hydrogen 2.925 N/A SER 588.A N MET 584.A O no hydrogen 2.980 N/A LEU 589.A N ARG 585.A O no hydrogen 2.932 N/A MET 590.A N HIS 586.A O no hydrogen 2.873 N/A GLN 591.A N LEU 587.A O no hydrogen 2.941 N/A ARG 592.A N SER 588.A O no hydrogen 2.952 N/A ARG 593.A N LEU 589.A O no hydrogen 2.908 N/A ALA 601.A N GLN 600.A OE1 no hydrogen 2.928 N/A ARG 602.A N HIS 605.A ND1 no hydrogen 3.128 N/A HIS 605.A N ARG 602.A O no hydrogen 3.201 N/A TRP 607.A N PRO 603.A O no hydrogen 2.953 N/A LYS 608.A N SER 604.A O no hydrogen 2.873 N/A ALA 609.A N HIS 605.A O no hydrogen 2.926 N/A VAL 610.A N PHE 606.A O no hydrogen 2.878 N/A LEU 611.A N TRP 607.A O no hydrogen 2.950 N/A ASN 612.A N LYS 608.A O no hydrogen 2.901 N/A ASN 612.A N ALA 609.A O no hydrogen 3.229 N/A LYS 619.A NZ LEU 611.A O no hydrogen 2.320 N/A LYS 619.A NZ SER 614.A O no hydrogen 3.398 N/A ALA 620.A N GLU 616.A O no hydrogen 2.921 N/A VAL 621.A N ALA 617.A O no hydrogen 2.936 N/A MET 622.A N VAL 618.A O no hydrogen 2.901 N/A ASN 623.A N LYS 619.A O no hydrogen 3.004 N/A LEU 624.A N MET 622.A O no hydrogen 3.098 N/A ASN 626.A N ASP 629.A OD1 no hydrogen 3.135 N/A ASN 626.A N ASP 629.A OD2 no hydrogen 2.570 N/A MET 630.A N ASP 629.A OD1 no hydrogen 2.578 N/A MET 631.A N ILE 627.A O no hydrogen 3.340 N/A ARG 632.A N ARG 628.A O no hydrogen 2.977 N/A TRP 633.A N ASP 629.A O no hydrogen 2.912 N/A VAL 634.A N MET 630.A O no hydrogen 2.847 N/A MET 635.A N MET 631.A O no hydrogen 2.983 N/A LEU 636.A N TRP 633.A O no hydrogen 3.372 N/A GLN 640.A N SER 578.A OG no hydrogen 2.991 N/A GLN 640.A NE2 PRO 641.A O no hydrogen 2.672 N/A SER 642.A OG ALA 238.A O no hydrogen 3.208 N/A LYS 644.A N SER 642.A OG no hydrogen 3.405 N/A LYS 644.A NZ GLU 576.A OE2 no hydrogen 2.641 N/A ALA 646.A N SER 642.A O no hydrogen 3.225 N/A LEU 647.A N LEU 643.A O no hydrogen 2.951 N/A GLU 648.A N LYS 644.A O no hydrogen 2.878 N/A GLU 649.A N LEU 645.A O no hydrogen 2.906 N/A GLU 650.A N ALA 646.A O no hydrogen 2.931 N/A ALA 651.A N LEU 647.A O no hydrogen 2.888 N/A TRP 652.A N GLU 648.A O no hydrogen 2.900 N/A TRP 652.A NE1 ASP 583.A OD1 no hydrogen 2.879 N/A ALA 653.A N GLU 649.A O no hydrogen 2.920 N/A ALA 654.A N GLU 650.A O no hydrogen 2.912 N/A ALA 655.A N ALA 651.A O no hydrogen 2.873 N/A ASN 656.A N ALA 653.A O no hydrogen 3.374 N/A GLU 659.A N ASP 657.A OD1 no hydrogen 3.309 N/A LEU 661.A N PHE 658.A O no hydrogen 3.213 N/A THR 664.A N ARG 743.A O no hydrogen 3.313 N/A TYR 668.A N LYS 810.A O no hydrogen 2.877 N/A MET 669.A N VAL 736.A O no hydrogen 3.121 N/A HIS 670.A N MET 808.A O no hydrogen 3.197 N/A HIS 670.A ND1 ASP 734.A O no hydrogen 3.153 N/A ARG 671.A NH1 MET 730.A O no hydrogen 3.127 N/A LEU 674.A N THR 805.A O no hydrogen 2.478 N/A GLU 683.A N GLU 683.A OE1 no hydrogen 2.733 N/A ARG 684.A N ASP 681.A O no hydrogen 2.976 N/A PHE 685.A N ASP 681.A O no hydrogen 3.501 N/A ARG 686.A N ILE 682.A O no hydrogen 2.896 N/A GLN 687.A N GLU 683.A O no hydrogen 2.929 N/A TYR 692.A N LEU 786.A O no hydrogen 3.300 N/A MET 695.A N THR 693.A OG1 no hydrogen 3.393 N/A GLU 697.A N GLU 697.A OE1 no hydrogen 2.889 N/A VAL 706.A N TRP 735.A O no hydrogen 3.238 N/A ALA 713.A N THR 709.A O no hydrogen 3.243 N/A ARG 714.A N TYR 710.A O no hydrogen 2.915 N/A ARG 714.A NH2 GLU 711.A OE2 no hydrogen 2.654 N/A LEU 715.A N GLU 711.A O no hydrogen 2.913 N/A GLN 716.A N ILE 712.A O no hydrogen 2.916 N/A ALA 717.A N ALA 713.A O no hydrogen 2.917 N/A ASN 718.A N ARG 714.A O no hydrogen 2.896 N/A MET 719.A N LEU 715.A O no hydrogen 2.920 N/A GLY 720.A N ALA 717.A O no hydrogen 3.241 N/A GLN 721.A N GLN 716.A O no hydrogen 2.818 N/A ALA 725.A N GLN 721.A O no hydrogen 3.401 N/A LEU 726.A N PHE 722.A O no hydrogen 2.936 N/A ARG 727.A N ARG 723.A O no hydrogen 2.881 N/A ARG 728.A N ALA 724.A O no hydrogen 2.912 N/A ILE 729.A N ALA 725.A O no hydrogen 2.918 N/A MET 730.A N LEU 726.A O no hydrogen 2.873 N/A ASP 731.A N ARG 727.A O no hydrogen 2.931 N/A ASP 732.A N ILE 729.A O no hydrogen 3.236 N/A ASP 733.A N MET 730.A O no hydrogen 3.080 N/A TRP 735.A N ARG 704.A O no hydrogen 3.076 N/A ARG 737.A N VAL 706.A O no hydrogen 3.478 N/A ARG 737.A NE GLN 666.A OE1 no hydrogen 2.997 N/A ARG 737.A NH2 GLN 666.A OE1 no hydrogen 3.093 N/A PHE 738.A N VAL 667.A O no hydrogen 3.246 N/A ARG 743.A N THR 664.A O no hydrogen 3.133 N/A ARG 746.A N THR 781.A O no hydrogen 3.090 N/A LYS 748.A N ILE 783.A O no hydrogen 3.010 N/A TYR 750.A N TYR 785.A O no hydrogen 3.470 N/A ARG 753.A N SER 798.A O no hydrogen 3.007 N/A ARG 753.A NH1 ASP 797.A O no hydrogen 2.565 N/A VAL 758.A N PRO 755.A O no hydrogen 3.184 N/A GLN 760.A N ASP 756.A O no hydrogen 2.858 N/A GLN 760.A NE2 TYR 806.A O no hydrogen 3.440 N/A GLY 761.A N VAL 758.A O no hydrogen 3.362 N/A SER 765.A N LYS 776.A O no hydrogen 2.888 N/A ASP 767.A N THR 774.A O no hydrogen 2.980 N/A THR 774.A N ASP 767.A O no hydrogen 2.881 N/A LYS 776.A N SER 765.A O no hydrogen 2.900 N/A ILE 783.A N ARG 746.A O no hydrogen 2.782 N/A TYR 785.A N LYS 748.A O no hydrogen 3.353 N/A LEU 786.A N TYR 692.A O no hydrogen 3.053 N/A ILE 787.A N TYR 750.A O no hydrogen 3.361 N/A GLU 791.A N ASN 789.A OD1 no hydrogen 3.367 N/A PHE 792.A N ASN 789.A O no hydrogen 3.312 N/A SER 793.A N VAL 790.A O no hydrogen 2.904 N/A THR 795.A N PHE 792.A O no hydrogen 3.022 N/A THR 805.A OG1 ASN 803.A O no hydrogen 3.117 N/A THR 807.A N ASP 672.A O no hydrogen 3.267 N/A LYS 810.A N TYR 668.A O no hydrogen 2.898 N/A LYS 810.A NZ ASP 672.A OD1 no hydrogen 3.296 N/A LYS 810.A NZ ASP 672.A OD2 no hydrogen 3.397 N/A PHE 812.A N GLN 666.A O no hydrogen 3.393 N/A ASN 814.A N GLU 659.A OE1 no hydrogen 2.610 N/A GLU 819.A N ARG 73.A O no hydrogen 2.949 N/A VAL 821.A N VAL 71.A O no hydrogen 2.917 N/A GLN 825.A N ARG 822.A O no hydrogen 3.273 N/A ARG 832.A N GLY 177.A O no hydrogen 2.924 N/A PHE 834.A N PHE 175.A O no hydrogen 2.918 N/A VAL 835.A N TYR 187.A OH no hydrogen 3.258 N/A ALA 836.A N ASP 173.A O no hydrogen 2.886 N/A LYS 838.A NZ ASP 171.A O no hydrogen 2.928 N/A MET 841.A N LYS 838.A O no hydrogen 3.064 N/A ARG 842.A N ASP 232.A O no hydrogen 3.487 N/A ARG 842.A NH1 ASP 232.A OD1 no hydrogen 3.507 N/A MET 844.A N ILE 234.A O no hydrogen 3.487 N/A ASP 845.A N GLN 848.A OE1 no hydrogen 3.289 N/A ILE 846.A N ASP 845.A OD1 no hydrogen 2.583 N/A SER 849.A N ASP 845.A O no hydrogen 3.272 N/A LEU 850.A N ILE 846.A O no hydrogen 3.248 N/A LYS 851.A N GLN 848.A O no hydrogen 3.372 N/A