Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8tze_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N SER 33.A O no hydrogen 3.354 N/A ILE 3.A N LEU 28.A O no hydrogen 3.092 N/A ARG 5.A N GLU 26.A O no hydrogen 2.904 N/A ASP 7.A N SER 4.A O no hydrogen 3.201 N/A VAL 8.A N ARG 5.A O no hydrogen 3.135 N/A GLU 9.A N ARG 5.A O no hydrogen 2.824 N/A LEU 14.A N TYR 10.A O no hydrogen 3.012 N/A GLU 15.A N PHE 11.A O no hydrogen 2.900 N/A LYS 16.A N LYS 12.A O no hydrogen 2.917 N/A PHE 17.A N LEU 13.A O no hydrogen 3.040 N/A GLN 18.A N GLU 15.A O no hydrogen 3.341 N/A ILE 19.A N LEU 14.A O no hydrogen 2.633 N/A ALA 20.A N LEU 14.A O no hydrogen 3.305 N/A ILE 23.A N TYR 27.A O no hydrogen 2.831 N/A GLY 24.A N TYR 27.A O no hydrogen 3.428 N/A LEU 28.A N ILE 3.A O no hydrogen 2.802 N/A LEU 29.A N ALA 20.A O no hydrogen 3.077 N/A LEU 29.A N LEU 21.A O no hydrogen 3.125 N/A VAL 30.A N ALA 20.A O no hydrogen 3.054 N/A HIS 37.A ND1 SER 35.A O no hydrogen 2.516 N/A HIS 45.A NE2 PRO 99.A O no hydrogen 2.812 N/A ASN 48.A ND2 SER 164.A OG no hydrogen 2.964 N/A ASN 48.A ND2 GLU 169.A O no hydrogen 2.863 N/A SER 49.A N ASP 167.A OD1 no hydrogen 2.917 N/A SER 49.A OG ASP 167.A OD1 no hydrogen 3.305 N/A SER 49.A OG ASP 167.A OD2 no hydrogen 2.780 N/A GLU 50.A N GLU 47.A O no hydrogen 3.369 N/A ILE 52.A N VAL 122.A O no hydrogen 2.844 N/A ARG 54.A N ILE 120.A O no hydrogen 2.925 N/A ARG 54.A NH1 ASP 207.A OD1 no hydrogen 3.345 N/A ARG 54.A NH1 ASP 207.A OD2 no hydrogen 3.010 N/A ARG 54.A NH2 ASP 207.A OD1 no hydrogen 2.488 N/A LEU 55.A N TRP 160.A O no hydrogen 2.883 N/A TYR 56.A N LEU 118.A O no hydrogen 2.874 N/A GLU 57.A N LYS 158.A O no hydrogen 2.874 N/A MET 58.A N SER 116.A O no hydrogen 2.928 N/A PHE 65.A N PRO 62.A O no hydrogen 3.122 N/A ARG 68.A N GLY 64.A O no hydrogen 3.330 N/A LEU 69.A N PHE 65.A O no hydrogen 2.887 N/A ILE 70.A N TRP 66.A O no hydrogen 2.881 N/A ASN 71.A N SER 67.A O no hydrogen 2.956 N/A ARG 72.A N ARG 68.A O no hydrogen 2.912 N/A LEU 73.A N LEU 69.A O no hydrogen 2.870 N/A LEU 74.A N ILE 70.A O no hydrogen 2.947 N/A ILE 76.A N LEU 73.A O no hydrogen 3.237 N/A SER 77.A N GLN 134.A OE1 no hydrogen 3.437 N/A TYR 79.A N SER 77.A OG no hydrogen 3.292 N/A MET 80.A N SER 77.A O no hydrogen 3.398 N/A ASN 85.A N ASN 96.A O no hydrogen 2.670 N/A ARG 86.A NH1 ILE 23.A O no hydrogen 3.405 N/A MET 87.A N TYR 94.A O no hydrogen 2.792 N/A TRP 89.A N GLY 92.A O no hydrogen 3.123 N/A ILE 93.A N VAL 105.A O no hydrogen 2.860 N/A TYR 94.A N MET 87.A O no hydrogen 2.806 N/A LEU 95.A N CYS 103.A O no hydrogen 2.879 N/A ASN 96.A ND2 TYR 94.A OH no hydrogen 2.547 N/A TRP 97.A N ALA 101.A O no hydrogen 2.916 N/A SER 98.A N ALA 101.A O no hydrogen 2.899 N/A SER 98.A OG GLU 100.A OE2 no hydrogen 3.250 N/A GLU 100.A N SER 98.A OG no hydrogen 3.265 N/A ALA 101.A N SER 98.A O no hydrogen 2.902 N/A CYS 103.A N LEU 95.A O no hydrogen 2.939 N/A LEU 104.A N THR 121.A O no hydrogen 2.933 N/A VAL 105.A N ILE 93.A O no hydrogen 3.140 N/A GLY 106.A N LYS 119.A O no hydrogen 2.952 N/A SER 107.A N GLN 91.A O no hydrogen 2.967 N/A SER 107.A OG GLN 91.A OE1 no hydrogen 3.448 N/A GLU 108.A N PHE 117.A O no hydrogen 2.870 N/A HIS 113.A ND1 ASP 111.A O no hydrogen 2.660 N/A SER 116.A N MET 58.A O no hydrogen 2.906 N/A PHE 117.A N GLU 108.A O no hydrogen 2.972 N/A LEU 118.A N TYR 56.A O no hydrogen 2.883 N/A LYS 119.A N GLY 106.A O no hydrogen 2.886 N/A ILE 120.A N ARG 54.A O no hydrogen 2.890 N/A THR 121.A N LEU 104.A O no hydrogen 2.897 N/A VAL 122.A N ILE 52.A O no hydrogen 2.987 N/A SER 124.A N GLU 50.A O no hydrogen 2.814 N/A CYS 125.A N PRO 123.A O no hydrogen 2.964 N/A CYS 125.A SG GLU 100.A O no hydrogen 3.082 N/A ARG 126.A NH1 LEU 213.A O no hydrogen 3.425 N/A ARG 126.A NH2 LEU 213.A O no hydrogen 2.418 N/A CYS 129.A N CYS 125.A O no hydrogen 2.825 N/A ILE 130.A N ARG 126.A O no hydrogen 2.896 N/A LEU 131.A N LYS 127.A O no hydrogen 2.923 N/A LEU 132.A N GLY 128.A O no hydrogen 2.884 N/A GLY 133.A N CYS 129.A O no hydrogen 2.895 N/A GLN 134.A N ILE 130.A O no hydrogen 2.956 N/A GLN 134.A NE2 SER 77.A O no hydrogen 2.853 N/A VAL 135.A N LEU 131.A O no hydrogen 2.909 N/A VAL 136.A N LEU 132.A O no hydrogen 2.932 N/A ASP 137.A N GLY 133.A O no hydrogen 2.912 N/A HIS 138.A N GLN 134.A O no hydrogen 2.907 N/A ILE 139.A N VAL 135.A O no hydrogen 2.905 N/A ASP 140.A N VAL 136.A O no hydrogen 2.909 N/A SER 141.A N ASP 137.A O no hydrogen 2.916 N/A LEU 142.A N HIS 138.A O no hydrogen 2.867 N/A MET 143.A N ILE 139.A O no hydrogen 2.932 N/A GLU 144.A N ASP 140.A O no hydrogen 2.905 N/A GLU 145.A N SER 141.A O no hydrogen 2.920 N/A TRP 146.A N LEU 142.A O no hydrogen 2.899 N/A PHE 147.A N MET 143.A O no hydrogen 3.309 N/A GLY 149.A N GLU 152.A OE1 no hydrogen 3.040 N/A THR 155.A OG1 GLY 149.A O no hydrogen 2.719 N/A THR 155.A OG1 GLU 152.A O no hydrogen 2.198 N/A LEU 157.A N GLU 154.A O no hydrogen 2.904 N/A LYS 158.A N GLU 57.A O no hydrogen 2.937 N/A LYS 159.A NZ ASP 140.A OD1 no hydrogen 3.401 N/A TRP 160.A N LEU 55.A O no hydrogen 2.880 N/A ALA 161.A N ILE 174.A O no hydrogen 2.871 N/A LEU 162.A N ILE 53.A O no hydrogen 3.005 N/A TYR 163.A N GLN 172.A O no hydrogen 2.908 N/A GLU 169.A N ASN 166.A O no hydrogen 3.220 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.494 N/A GLN 172.A N TYR 163.A O no hydrogen 2.873 N/A ILE 174.A N ALA 161.A O no hydrogen 2.991 N/A LEU 176.A N LYS 159.A O no hydrogen 3.025 N/A LEU 179.A N LEU 175.A O no hydrogen 2.971 N/A MET 180.A N LEU 176.A O no hydrogen 2.850 N/A LYS 181.A N ASP 177.A O no hydrogen 2.938 N/A LYS 182.A N ASP 178.A O no hydrogen 2.931 N/A ALA 183.A N LEU 179.A O no hydrogen 2.854 N/A GLU 184.A N MET 180.A O no hydrogen 3.286 N/A GLU 185.A N LYS 181.A O no hydrogen 2.936 N/A GLY 186.A N LYS 182.A O no hydrogen 2.586 N/A LEU 189.A N ILE 199.A O no hydrogen 2.837 N/A ASN 191.A N LEU 197.A O no hydrogen 3.003 N/A ARG 196.A NE GLN 194.A OE1 no hydrogen 2.195 N/A ARG 196.A NH2 GLN 194.A OE1 no hydrogen 2.248 N/A LEU 197.A N GLN 194.A O no hydrogen 2.808 N/A ILE 199.A N LEU 189.A O no hydrogen 2.967 N/A ILE 201.A N ASP 187.A O no hydrogen 3.157 N/A ALA 205.A N ILE 201.A O no hydrogen 3.348 N/A LEU 208.A N ALA 205.A O no hydrogen 3.237 N/A ALA 211.A N PRO 206.A O no hydrogen 3.118 N/A ASP 212.A N ASP 212.A OD1 no hydrogen 2.546 N/A ILE 217.A N PRO 214.A O no hydrogen 2.946 N/A ASN 220.A N TYR 247.A OH no hydrogen 3.224 N/A GLU 223.A N ASN 220.A O no hydrogen 2.839 N/A LEU 224.A N ASN 221.A O no hydrogen 3.432 N/A GLU 225.A N ALA 246.A O no hydrogen 2.677 N/A PHE 232.A N ALA 229.A O no hydrogen 3.205 N/A LEU 233.A N PRO 230.A O no hydrogen 3.385 N/A LEU 234.A N VAL 242.A O no hydrogen 2.752 N/A SER 238.A N GLY 235.A O no hydrogen 2.776 N/A TYR 243.A N VAL 254.A O no hydrogen 2.865 N/A ARG 244.A N PHE 232.A O no hydrogen 2.873 N/A ALA 245.A N VAL 252.A O no hydrogen 2.955 N/A ALA 246.A N GLU 225.A O no hydrogen 3.052 N/A TYR 247.A N GLU 250.A O no hydrogen 2.880 N/A GLU 248.A N GLU 223.A O no hydrogen 2.971 N/A GLU 250.A N TYR 247.A O no hydrogen 2.937 N/A VAL 252.A N ALA 245.A O no hydrogen 2.858 N/A ALA 253.A N MET 296.A O no hydrogen 2.898 N/A VAL 254.A N TYR 243.A O no hydrogen 2.879 N/A LYS 255.A N LEU 294.A O no hydrogen 2.871 N/A LYS 255.A NZ GLU 269.A OE1 no hydrogen 3.106 N/A LYS 255.A NZ GLU 269.A OE2 no hydrogen 3.445 N/A ILE 256.A N SER 241.A O no hydrogen 3.208 N/A PHE 257.A N ARG 292.A O no hydrogen 2.804 N/A THR 261.A OG1 HIS 260.A ND1 no hydrogen 3.380 N/A ARG 264.A NE GLU 144.A OE2 no hydrogen 3.060 N/A ARG 267.A NE ASP 137.A OD1 no hydrogen 3.185 N/A ARG 267.A NH1 ASP 212.A OD1 no hydrogen 3.432 N/A ARG 267.A NH2 ASP 137.A OD2 no hydrogen 2.967 N/A ARG 267.A NH2 ASP 212.A OD2 no hydrogen 3.146 N/A GLN 268.A N ARG 264.A O no hydrogen 2.912 N/A GLU 269.A N LEU 265.A O no hydrogen 2.902 N/A LEU 270.A N LEU 266.A O no hydrogen 2.885 N/A VAL 271.A N ARG 267.A O no hydrogen 2.888 N/A VAL 272.A N GLN 268.A O no hydrogen 2.996 N/A LEU 273.A N GLU 269.A O no hydrogen 2.852 N/A CYS 274.A N LEU 270.A O no hydrogen 2.880 N/A CYS 274.A SG LEU 270.A O no hydrogen 3.248 N/A LEU 276.A N LEU 273.A O no hydrogen 3.071 N/A SER 280.A OG HIS 326.A O no hydrogen 3.117 N/A LEU 281.A N HIS 278.A O no hydrogen 3.254 N/A ILE 282.A N ILE 364.A O no hydrogen 3.329 N/A SER 283.A N GLU 297.A OE2 no hydrogen 2.901 N/A LEU 285.A N VAL 295.A O no hydrogen 2.833 N/A ALA 286.A N VAL 295.A O no hydrogen 2.930 N/A ALA 287.A N ILE 217.A O no hydrogen 3.245 N/A GLY 288.A N MET 293.A O no hydrogen 2.919 N/A ARG 292.A N ASN 258.A OD1 no hydrogen 3.504 N/A MET 293.A N GLY 288.A O no hydrogen 2.925 N/A LEU 294.A N LYS 255.A O no hydrogen 2.933 N/A VAL 295.A N ALA 286.A O no hydrogen 2.865 N/A MET 296.A N ALA 253.A O no hydrogen 2.905 N/A GLU 297.A N SER 283.A O no hydrogen 3.454 N/A LYS 301.A N LEU 351.A O no hydrogen 3.150 N/A SER 303.A OG ASP 305.A OD1 no hydrogen 2.210 N/A LEU 304.A N VAL 349.A O no hydrogen 2.715 N/A ASP 305.A N PRO 346.A O no hydrogen 3.240 N/A ARG 306.A N ASP 305.A OD1 no hydrogen 2.501 N/A LEU 307.A N SER 303.A O no hydrogen 3.419 N/A LEU 308.A N LEU 304.A O no hydrogen 2.892 N/A GLN 309.A N ARG 306.A O no hydrogen 3.379 N/A GLN 310.A N ARG 306.A O no hydrogen 2.892 N/A ASP 311.A N LEU 307.A O no hydrogen 3.262 N/A SER 314.A N ASP 311.A O no hydrogen 3.078 N/A SER 314.A OG ASP 311.A OD2 no hydrogen 2.515 N/A LEU 315.A N LYS 312.A O no hydrogen 3.282 N/A THR 316.A N SER 314.A O no hydrogen 2.918 N/A ARG 317.A NE GLN 320.A OE1 no hydrogen 3.331 N/A ARG 317.A NH1 ALA 416.A O no hydrogen 3.139 N/A ARG 317.A NH1 PRO 417.A O no hydrogen 3.356 N/A ARG 317.A NH2 ALA 416.A O no hydrogen 2.799 N/A LEU 319.A N THR 316.A OG1 no hydrogen 3.312 N/A GLN 320.A N THR 316.A O no hydrogen 2.913 N/A HIS 321.A N ARG 317.A O no hydrogen 2.931 N/A HIS 321.A NE2 LEU 446.A O no hydrogen 2.811 N/A ARG 322.A N THR 318.A O no hydrogen 2.899 N/A ARG 322.A NH1 HIS 321.A ND1 no hydrogen 2.942 N/A ARG 322.A NH1 GLU 768.A OE2 no hydrogen 3.265 N/A ARG 322.A NH2 GLU 768.A OE2 no hydrogen 3.406 N/A ILE 323.A N LEU 319.A O no hydrogen 2.917 N/A ALA 324.A N GLN 320.A O no hydrogen 2.962 N/A LEU 325.A N HIS 321.A O no hydrogen 2.852 N/A HIS 326.A N ARG 322.A O no hydrogen 2.904 N/A HIS 326.A NE2 HIS 775.A NE2 no hydrogen 3.018 N/A VAL 327.A N ILE 323.A O no hydrogen 2.965 N/A ALA 328.A N ALA 324.A O no hydrogen 2.915 N/A ASP 329.A N LEU 325.A O no hydrogen 2.867 N/A GLY 330.A N HIS 326.A O no hydrogen 2.936 N/A LEU 331.A N VAL 327.A O no hydrogen 2.929 N/A ARG 332.A N ALA 328.A O no hydrogen 2.895 N/A ARG 332.A NH2 ASP 329.A OD1 no hydrogen 2.806 N/A TYR 333.A N ASP 329.A O no hydrogen 2.910 N/A LEU 334.A N GLY 330.A O no hydrogen 2.912 N/A HIS 335.A N LEU 331.A O no hydrogen 2.875 N/A HIS 335.A ND1 SER 439.A OG no hydrogen 3.136 N/A HIS 335.A NE2 ASP 386.A OD2 no hydrogen 2.845 N/A SER 336.A N ARG 332.A O no hydrogen 2.918 N/A SER 336.A OG ARG 332.A O no hydrogen 3.541 N/A SER 336.A OG TYR 333.A O no hydrogen 2.919 N/A ALA 337.A N LEU 334.A O no hydrogen 3.256 N/A MET 338.A N HIS 335.A O no hydrogen 3.247 N/A ILE 339.A N LEU 334.A O no hydrogen 3.030 N/A TYR 341.A N ASP 386.A OD2 no hydrogen 3.098 N/A TYR 341.A OH ALA 365.A O no hydrogen 2.215 N/A LYS 345.A NZ ASN 348.A OD1 no hydrogen 3.484 N/A HIS 347.A ND1 ASP 305.A OD2 no hydrogen 2.798 N/A ASN 348.A N LYS 345.A O no hydrogen 2.911 N/A ASN 348.A ND2 ALA 365.A O no hydrogen 3.003 N/A VAL 349.A N PRO 346.A O no hydrogen 3.294 N/A LEU 350.A N LYS 363.A O no hydrogen 2.883 N/A LEU 351.A N GLY 302.A O no hydrogen 2.724 N/A PHE 352.A N ILE 361.A O no hydrogen 2.892 N/A THR 353.A OG1 ILE 360.A O no hydrogen 3.463 N/A ALA 358.A N TYR 355.A O no hydrogen 3.230 N/A ILE 361.A N HIS 326.A ND1 no hydrogen 3.283 N/A ALA 362.A N HIS 326.A ND1 no hydrogen 3.221 N/A LYS 363.A N LEU 350.A O no hydrogen 2.909 N/A LYS 363.A NZ GLU 297.A OE1 no hydrogen 3.434 N/A LYS 363.A NZ GLU 297.A OE2 no hydrogen 2.542 N/A ILE 364.A N SER 280.A O no hydrogen 2.846 N/A ALA 365.A N ASN 348.A O no hydrogen 2.876 N/A TYR 367.A OH HIS 347.A O no hydrogen 2.506 N/A ARG 373.A NE PRO 370.A O no hydrogen 2.860 N/A ARG 373.A NH2 PRO 370.A O no hydrogen 3.286 N/A GLU 376.A N GLU 376.A OE1 no hydrogen 2.702 N/A ALA 378.A N ALA 374.A O no hydrogen 2.779 N/A ARG 379.A N PRO 375.A O no hydrogen 2.913 N/A GLY 380.A N GLU 376.A O no hydrogen 3.136 N/A GLN 383.A NE2 HIS 335.A O no hydrogen 3.427 N/A GLN 384.A N GLN 384.A OE1 no hydrogen 2.717 N/A ASP 386.A N ASN 382.A O no hydrogen 3.181 N/A VAL 387.A N GLN 383.A O no hydrogen 2.920 N/A TYR 388.A N GLN 384.A O no hydrogen 2.902 N/A SER 389.A N ALA 385.A O no hydrogen 2.906 N/A SER 389.A OG PHE 372.A O no hydrogen 3.461 N/A SER 389.A OG ALA 385.A O no hydrogen 3.231 N/A PHE 390.A N ASP 386.A O no hydrogen 2.880 N/A GLY 391.A N VAL 387.A O no hydrogen 2.874 N/A LEU 392.A N TYR 388.A O no hydrogen 2.951 N/A LEU 393.A N SER 389.A O no hydrogen 2.899 N/A LEU 394.A N PHE 390.A O no hydrogen 2.835 N/A TYR 395.A N GLY 391.A O no hydrogen 2.911 N/A TYR 395.A OH PRO 407.A O no hydrogen 2.804 N/A ASP 396.A N LEU 392.A O no hydrogen 2.920 N/A ILE 397.A N LEU 393.A O no hydrogen 2.882 N/A LEU 398.A N LEU 394.A O no hydrogen 2.884 N/A THR 399.A N TYR 395.A O no hydrogen 3.000 N/A THR 399.A OG1 TYR 395.A O no hydrogen 3.068 N/A THR 399.A OG1 ASP 396.A O no hydrogen 3.422 N/A THR 399.A OG1 GLY 401.A O no hydrogen 3.244 N/A ARG 403.A NH1 ASP 396.A OD1 no hydrogen 2.982 N/A VAL 405.A N GLY 402.A O no hydrogen 2.912 N/A VAL 410.A N ASP 408.A OD1 no hydrogen 2.892 N/A LYS 411.A N ASP 408.A OD1 no hydrogen 3.498 N/A GLU 412.A N ASP 408.A O no hydrogen 3.254 N/A TYR 413.A N PRO 409.A O no hydrogen 3.350 N/A CYS 415.A SG LEU 398.A O no hydrogen 3.268 N/A TRP 418.A N GLU 422.A OE2 no hydrogen 3.183 N/A TRP 418.A NE1 LEU 451.A O no hydrogen 2.772 N/A VAL 421.A N TRP 418.A O no hydrogen 3.040 N/A GLU 422.A N TRP 418.A O no hydrogen 3.117 N/A ILE 425.A N VAL 421.A O no hydrogen 2.897 N/A LYS 426.A N GLU 422.A O no hydrogen 2.905 N/A GLN 427.A N LYS 423.A O no hydrogen 2.913 N/A CYS 428.A N LEU 424.A O no hydrogen 2.898 N/A CYS 428.A SG LEU 424.A O no hydrogen 3.319 N/A LEU 429.A N LYS 426.A O no hydrogen 3.397 N/A LYS 430.A N GLN 427.A O no hydrogen 3.433 N/A GLU 435.A N ASN 432.A O no hydrogen 3.154 N/A ARG 436.A N PRO 433.A O no hydrogen 3.203 N/A ARG 436.A NE GLN 384.A O no hydrogen 3.007 N/A ARG 436.A NH1 LYS 430.A O no hydrogen 2.389 N/A THR 438.A N GLN 441.A OE1 no hydrogen 2.893 N/A SER 439.A OG HIS 335.A ND1 no hydrogen 3.136 N/A GLN 441.A N THR 438.A OG1 no hydrogen 3.298 N/A VAL 442.A N THR 438.A O no hydrogen 2.809 N/A PHE 443.A N SER 439.A O no hydrogen 2.925 N/A ASP 444.A N ALA 440.A O no hydrogen 2.903 N/A ILE 445.A N GLN 441.A O no hydrogen 2.894 N/A LEU 446.A N VAL 442.A O no hydrogen 2.927 N/A ASN 447.A N PHE 443.A O no hydrogen 2.777 N/A SER 448.A N LEU 446.A O no hydrogen 2.901 N/A SER 448.A OG GLU 450.A OE1 no hydrogen 3.105 N/A GLU 450.A N GLU 450.A OE1 no hydrogen 2.463 N/A LEU 451.A N SER 448.A O no hydrogen 3.218 N/A CYS 453.A N ALA 449.A O no hydrogen 2.988 N/A THR 455.A N VAL 760.A O no hydrogen 2.912 N/A ARG 456.A NH1 LEU 494.A O no hydrogen 2.442 N/A ARG 456.A NH2 GLU 497.A OE2 no hydrogen 3.372 N/A ARG 457.A NH1 PHE 726.A O no hydrogen 2.806 N/A ARG 457.A NH2 PHE 726.A O no hydrogen 3.250 N/A ILE 458.A N LEU 758.A O no hydrogen 2.882 N/A LEU 460.A N SER 756.A O no hydrogen 3.236 N/A ASN 463.A N ILE 754.A O no hydrogen 3.010 N/A VAL 464.A N PRO 461.A O no hydrogen 3.245 N/A VAL 466.A N TYR 750.A OH no hydrogen 2.753 N/A GLU 467.A N GLY 480.A O no hydrogen 2.670 N/A CYS 468.A N GLY 480.A O no hydrogen 2.989 N/A CYS 468.A SG GLY 480.A O no hydrogen 3.810 N/A CYS 468.A SG ILE 509.A O no hydrogen 3.825 N/A VAL 470.A N TRP 478.A O no hydrogen 2.919 N/A THR 472.A N SER 476.A O no hydrogen 3.253 N/A HIS 474.A N THR 472.A O no hydrogen 2.747 N/A ILE 477.A N LEU 492.A O no hydrogen 2.913 N/A TRP 478.A N VAL 470.A O no hydrogen 2.877 N/A LEU 479.A N SER 490.A O no hydrogen 2.880 N/A GLY 480.A N CYS 468.A O no hydrogen 2.842 N/A CYS 481.A N GLN 488.A O no hydrogen 2.936 N/A CYS 481.A SG SER 490.A OG no hydrogen 3.555 N/A CYS 481.A SG TYR 499.A OH no hydrogen 3.547 N/A GLY 482.A N ILE 465.A O no hydrogen 3.488 N/A THR 484.A OG1 ARG 486.A O no hydrogen 3.554 N/A ARG 486.A N THR 484.A OG1 no hydrogen 3.093 N/A ARG 486.A NE GLU 503.A OE2 no hydrogen 2.430 N/A GLY 487.A N SER 507.A O no hydrogen 2.900 N/A LEU 489.A N GLU 502.A O no hydrogen 2.909 N/A SER 490.A N LEU 479.A O no hydrogen 2.860 N/A SER 490.A OG TYR 499.A OH no hydrogen 2.828 N/A PHE 491.A N THR 500.A O no hydrogen 2.852 N/A LEU 492.A N ILE 477.A O no hydrogen 2.897 N/A ASP 493.A N GLY 498.A O no hydrogen 2.923 N/A LEU 494.A N ALA 475.A O no hydrogen 2.642 N/A ASN 495.A N ASP 493.A OD1 no hydrogen 3.121 N/A TYR 499.A OH SER 490.A OG no hydrogen 2.828 N/A THR 500.A N PHE 491.A O no hydrogen 2.946 N/A GLU 502.A N LEU 489.A O no hydrogen 2.920 N/A SER 507.A OG THR 525.A OG1 no hydrogen 3.061 N/A SER 507.A OG SER 527.A OG no hydrogen 3.156 N/A ARG 508.A NE GLY 482.A O no hydrogen 3.112 N/A LEU 510.A N GLY 524.A O no hydrogen 2.740 N/A CYS 511.A N GLY 524.A O no hydrogen 2.992 N/A CYS 511.A SG GLY 524.A O no hydrogen 3.691 N/A CYS 511.A SG VAL 549.A O no hydrogen 3.231 N/A ALA 513.A N VAL 522.A O no hydrogen 2.938 N/A VAL 515.A N TRP 520.A O no hydrogen 2.892 N/A HIS 516.A ND1 GLU 518.A O no hydrogen 2.986 N/A LEU 517.A N GLU 518.A O no hydrogen 2.773 N/A SER 519.A OG THR 535.A OG1 no hydrogen 2.206 N/A TRP 520.A N VAL 515.A O no hydrogen 2.901 N/A ILE 521.A N ILE 533.A O no hydrogen 2.911 N/A VAL 522.A N ALA 513.A O no hydrogen 2.859 N/A SER 523.A N LEU 531.A O no hydrogen 2.873 N/A GLY 524.A N CYS 511.A O no hydrogen 2.871 N/A THR 525.A N THR 529.A O no hydrogen 3.385 N/A THR 525.A OG1 SER 507.A OG no hydrogen 3.061 N/A GLN 526.A N ARG 508.A O no hydrogen 2.860 N/A GLN 526.A NE2 SER 548.A OG no hydrogen 3.282 N/A SER 527.A N SER 507.A OG no hydrogen 2.967 N/A SER 527.A OG SER 507.A OG no hydrogen 3.156 N/A SER 527.A OG THR 525.A OG1 no hydrogen 3.238 N/A GLY 528.A N THR 525.A O no hydrogen 3.141 N/A LEU 531.A N SER 523.A O no hydrogen 2.943 N/A VAL 532.A N HIS 540.A O no hydrogen 2.888 N/A ILE 533.A N ILE 521.A O no hydrogen 2.877 N/A THR 535.A N SER 519.A O no hydrogen 3.213 N/A THR 535.A OG1 SER 519.A O no hydrogen 2.572 N/A THR 535.A OG1 SER 519.A OG no hydrogen 2.206 N/A GLU 536.A N ASN 534.A OD1 no hydrogen 2.672 N/A ASP 537.A N ASN 534.A OD1 no hydrogen 2.569 N/A HIS 540.A N VAL 532.A O no hydrogen 2.883 N/A LEU 542.A N LEU 530.A O no hydrogen 3.133 N/A GLU 543.A N ALA 579.A O no hydrogen 3.401 N/A LYS 544.A NZ SER 527.A O no hydrogen 2.990 N/A MET 545.A N GLY 528.A O no hydrogen 3.302 N/A THR 546.A OG1 ASP 563.A OD2 no hydrogen 2.935 N/A SER 548.A N ASP 547.A OD1 no hydrogen 2.816 N/A SER 548.A OG GLN 526.A O no hydrogen 2.751 N/A VAL 549.A N THR 525.A O no hydrogen 3.324 N/A THR 550.A N GLY 560.A O no hydrogen 2.835 N/A THR 550.A OG1 GLY 560.A O no hydrogen 2.821 N/A THR 550.A OG1 LEU 594.A O no hydrogen 2.444 N/A CYS 551.A N GLY 560.A O no hydrogen 2.968 N/A CYS 551.A SG GLY 560.A O no hydrogen 3.775 N/A CYS 551.A SG LEU 594.A O no hydrogen 3.312 N/A TYR 553.A N LEU 558.A O no hydrogen 2.921 N/A TYR 553.A OH GLU 599.A OE1 no hydrogen 3.378 N/A CYS 554.A SG LEU 514.A O no hydrogen 3.261 N/A CYS 554.A SG PHE 556.A O no hydrogen 3.692 N/A LEU 557.A N PHE 569.A O no hydrogen 2.904 N/A LEU 558.A N TYR 553.A O no hydrogen 2.893 N/A VAL 559.A N ALA 567.A O no hydrogen 2.881 N/A GLY 560.A N CYS 551.A O no hydrogen 2.880 N/A THR 561.A N LYS 565.A O no hydrogen 2.935 N/A THR 561.A OG1 LYS 565.A O no hydrogen 3.528 N/A ALA 562.A N SER 548.A O no hydrogen 2.521 N/A GLY 564.A N THR 561.A O no hydrogen 3.267 N/A LYS 565.A NZ ASP 563.A OD2 no hydrogen 2.225 N/A LEU 566.A N LEU 585.A O no hydrogen 2.916 N/A ALA 567.A N VAL 559.A O no hydrogen 2.895 N/A ILE 568.A N LYS 583.A O no hydrogen 2.845 N/A PHE 569.A N LEU 557.A O no hydrogen 2.897 N/A ASP 571.A N GLU 570.A OE2 no hydrogen 2.784 N/A VAL 574.A N GLU 570.A O no hydrogen 3.166 N/A LYS 575.A N LYS 572.A O no hydrogen 3.367 N/A LEU 576.A N THR 573.A O no hydrogen 3.342 N/A GLY 578.A N THR 541.A O no hydrogen 2.506 N/A LYS 583.A N ILE 568.A O no hydrogen 2.991 N/A LYS 583.A NZ ASP 617.A O no hydrogen 2.912 N/A LEU 585.A N LEU 566.A O no hydrogen 2.935 N/A ILE 587.A N GLY 564.A O no hydrogen 3.274 N/A GLY 588.A N GLY 564.A O no hydrogen 3.216 N/A ASN 589.A N THR 592.A OG1 no hydrogen 2.538 N/A SER 591.A N ASN 589.A OD1 no hydrogen 2.736 N/A THR 592.A N ASN 589.A O no hydrogen 3.309 N/A THR 592.A OG1 ASN 589.A O no hydrogen 3.319 N/A LEU 594.A N THR 561.A O no hydrogen 3.168 N/A MET 595.A N GLY 606.A O no hydrogen 3.074 N/A CYS 596.A N GLY 606.A O no hydrogen 3.038 N/A CYS 596.A SG GLY 606.A O no hydrogen 3.662 N/A SER 598.A N TRP 604.A O no hydrogen 2.877 N/A SER 598.A OG VAL 645.A O no hydrogen 3.339 N/A SER 600.A N VAL 602.A O no hydrogen 2.957 N/A SER 600.A OG VAL 647.A O no hydrogen 3.565 N/A VAL 602.A N SER 600.A O no hydrogen 2.896 N/A MET 603.A N PHE 614.A O no hydrogen 2.937 N/A TRP 604.A N SER 598.A O no hydrogen 2.877 N/A GLY 605.A N PHE 612.A O no hydrogen 2.871 N/A GLY 606.A N CYS 596.A O no hydrogen 2.872 N/A CYS 607.A N LYS 610.A O no hydrogen 2.949 N/A CYS 607.A SG THR 592.A O no hydrogen 3.385 N/A CYS 607.A SG PRO 593.A O no hydrogen 3.746 N/A GLY 608.A N PRO 593.A O no hydrogen 3.320 N/A THR 609.A OG1 GLU 625.A OE2 no hydrogen 3.396 N/A LYS 610.A N CYS 607.A O no hydrogen 2.916 N/A ILE 611.A N ILE 624.A O no hydrogen 2.891 N/A PHE 612.A N GLY 605.A O no hydrogen 2.909 N/A SER 613.A N LYS 622.A O no hydrogen 2.937 N/A PHE 614.A N MET 603.A O no hydrogen 2.919 N/A PHE 618.A N SER 615.A O no hydrogen 2.969 N/A GLN 621.A N SER 613.A O no hydrogen 2.813 N/A LYS 622.A NZ GLU 669.A OE2 no hydrogen 3.115 N/A ILE 624.A N ILE 611.A O no hydrogen 2.887 N/A THR 626.A N THR 609.A O no hydrogen 3.035 N/A THR 626.A OG1 THR 609.A O no hydrogen 2.641 N/A SER 629.A N THR 626.A O no hydrogen 2.948 N/A SER 629.A OG THR 626.A O no hydrogen 2.937 N/A SER 629.A OG GLU 662.A OE2 no hydrogen 2.336 N/A GLN 630.A N ARG 627.A O no hydrogen 2.942 N/A LEU 631.A N THR 628.A O no hydrogen 2.963 N/A PHE 632.A N SER 629.A O no hydrogen 3.073 N/A SER 633.A N SER 629.A O no hydrogen 2.581 N/A TYR 634.A N SER 633.A OG no hydrogen 2.857 N/A PHE 637.A N TYR 634.A O no hydrogen 3.067 N/A SER 638.A N TYR 634.A O no hydrogen 3.202 N/A SER 638.A OG ARG 627.A O no hydrogen 3.057 N/A ASP 639.A N ALA 635.A O no hydrogen 3.178 N/A SER 640.A OG GLN 656.A O no hydrogen 2.886 N/A ILE 642.A N GLY 608.A O no hydrogen 2.586 N/A ILE 643.A N ALA 654.A O no hydrogen 2.908 N/A VAL 646.A N TYR 652.A O no hydrogen 2.837 N/A LEU 651.A N TRP 664.A O no hydrogen 2.905 N/A TYR 652.A N VAL 646.A O no hydrogen 2.577 N/A ILE 653.A N GLU 662.A O no hydrogen 2.859 N/A ALA 654.A N THR 644.A O no hydrogen 3.158 N/A LYS 655.A NZ THR 626.A OG1 no hydrogen 3.121 N/A LYS 655.A NZ GLU 662.A OE2 no hydrogen 3.072 N/A GLN 656.A N ASN 641.A O no hydrogen 2.851 N/A SER 658.A N LYS 655.A O no hydrogen 3.299 N/A SER 658.A OG VAL 660.A O no hydrogen 3.334 N/A VAL 660.A N SER 658.A OG no hydrogen 3.252 N/A VAL 661.A N ILE 675.A O no hydrogen 2.915 N/A GLU 662.A N ILE 653.A O no hydrogen 2.907 N/A VAL 663.A N GLY 673.A O no hydrogen 2.869 N/A TRP 664.A N LEU 651.A O no hydrogen 2.891 N/A TRP 664.A NE1 GLU 662.A OE1 no hydrogen 2.971 N/A ASP 665.A N LYS 670.A O no hydrogen 2.810 N/A THR 668.A OG1 ASP 665.A OD1 no hydrogen 3.454 N/A GLU 669.A N ASP 665.A O no hydrogen 3.170 N/A CYS 672.A N VAL 663.A O no hydrogen 2.543 N/A CYS 672.A SG LYS 670.A O no hydrogen 3.894 N/A GLY 673.A N VAL 663.A O no hydrogen 2.961 N/A ILE 675.A N VAL 661.A O no hydrogen 2.863 N/A CYS 677.A N PRO 659.A O no hydrogen 3.090 N/A CYS 677.A SG PRO 659.A O no hydrogen 3.422 N/A VAL 678.A N ASP 676.A OD1 no hydrogen 3.164 N/A PHE 680.A N ASP 676.A O no hydrogen 3.414 N/A LEU 681.A N CYS 677.A O no hydrogen 2.913 N/A ARG 682.A N VAL 678.A O no hydrogen 2.895 N/A GLU 683.A N PHE 680.A O no hydrogen 3.274 N/A VAL 684.A N LEU 681.A O no hydrogen 3.040 N/A MET 685.A N LEU 681.A O no hydrogen 2.725 N/A GLY 687.A N SER 686.A OG no hydrogen 2.474 N/A VAL 689.A N SER 658.A O no hydrogen 3.230 N/A LYS 690.A N GLY 703.A O no hydrogen 2.887 N/A THR 691.A N GLY 703.A O no hydrogen 3.263 N/A CYS 693.A N TRP 701.A O no hydrogen 2.926 N/A CYS 693.A SG LEU 694.A O no hydrogen 3.963 N/A CYS 693.A SG THR 735.A OG1 no hydrogen 3.669 N/A GLN 695.A N ALA 699.A O no hydrogen 2.964 N/A ALA 699.A N GLN 695.A O no hydrogen 3.258 N/A LEU 700.A N LEU 712.A O no hydrogen 2.892 N/A TRP 701.A N CYS 693.A O no hydrogen 2.892 N/A TRP 701.A NE1 GLN 695.A OE1 no hydrogen 3.068 N/A ILE 702.A N LEU 710.A O no hydrogen 2.911 N/A GLY 703.A N THR 691.A O no hydrogen 3.012 N/A THR 704.A N HIS 708.A O no hydrogen 2.963 N/A THR 704.A OG1 HIS 708.A O no hydrogen 3.205 N/A GLY 705.A N ARG 688.A O no hydrogen 2.670 N/A GLY 706.A N THR 704.A OG1 no hydrogen 3.427 N/A GLY 707.A N THR 704.A O no hydrogen 3.428 N/A HIS 708.A N THR 704.A OG1 no hydrogen 3.012 N/A ILE 709.A N ILE 723.A O no hydrogen 2.872 N/A LEU 710.A N ILE 702.A O no hydrogen 2.866 N/A LEU 711.A N ARG 721.A O no hydrogen 2.879 N/A LEU 712.A N LEU 700.A O no hydrogen 2.938 N/A ASP 713.A N ARG 718.A O no hydrogen 2.897 N/A SER 715.A N ASP 713.A O no hydrogen 2.633 N/A SER 715.A OG ASP 713.A OD1 no hydrogen 3.535 N/A THR 716.A OG1 SER 715.A O no hydrogen 2.406 N/A ILE 720.A N LEU 711.A O no hydrogen 2.691 N/A ARG 721.A N LEU 711.A O no hydrogen 3.000 N/A ILE 723.A N ILE 709.A O no hydrogen 2.862 N/A CYS 727.A SG GLY 707.A O no hydrogen 3.992 N/A ASN 728.A N TYR 750.A O no hydrogen 2.484 N/A SER 729.A N TYR 750.A O no hydrogen 3.180 N/A SER 729.A OG GLY 705.A O no hydrogen 3.415 N/A VAL 730.A N THR 704.A O no hydrogen 3.256 N/A ARG 731.A N LEU 748.A O no hydrogen 2.734 N/A VAL 732.A N LEU 748.A O no hydrogen 2.974 N/A MET 734.A N LEU 746.A O no hydrogen 2.966 N/A ALA 736.A N VAL 744.A O no hydrogen 2.888 N/A LEU 738.A N LYS 742.A O no hydrogen 3.217 N/A LYS 742.A N GLY 739.A O no hydrogen 3.123 N/A LYS 742.A NZ ASP 762.A OD2 no hydrogen 2.485 N/A ASN 743.A ND2 GLN 737.A OE1 no hydrogen 2.499 N/A VAL 744.A N ALA 736.A O no hydrogen 2.951 N/A MET 745.A N TRP 761.A O no hydrogen 2.889 N/A LEU 746.A N MET 734.A O no hydrogen 2.831 N/A VAL 747.A N THR 759.A O no hydrogen 2.883 N/A LEU 748.A N VAL 732.A O no hydrogen 2.854 N/A GLY 749.A N CYS 757.A O no hydrogen 2.931 N/A TYR 750.A N SER 729.A O no hydrogen 2.884 N/A TYR 750.A OH VAL 466.A O no hydrogen 2.847 N/A ASN 751.A N GLN 755.A O no hydrogen 2.673 N/A ASN 751.A ND2 GLN 755.A O no hydrogen 3.436 N/A GLN 755.A NE2 LEU 460.A O no hydrogen 2.822 N/A GLN 755.A NE2 SER 756.A O no hydrogen 3.238 N/A SER 756.A OG VAL 464.A O no hydrogen 2.939 N/A CYS 757.A N GLY 749.A O no hydrogen 2.901 N/A CYS 757.A SG PHE 726.A O no hydrogen 4.004 N/A CYS 757.A SG GLY 749.A O no hydrogen 3.865 N/A LEU 758.A N ILE 458.A O no hydrogen 2.805 N/A THR 759.A N VAL 747.A O no hydrogen 2.885 N/A VAL 760.A N ARG 456.A O no hydrogen 2.978 N/A TRP 761.A N MET 745.A O no hydrogen 2.910 N/A ASP 762.A N CYS 453.A O no hydrogen 2.769 N/A ILE 763.A N ASN 743.A O no hydrogen 3.344 N/A ASN 764.A N ASP 762.A OD1 no hydrogen 2.921 N/A ASN 764.A ND2 ASP 762.A OD1 no hydrogen 3.142 N/A LEU 765.A N ASP 762.A O no hydrogen 3.195 N/A GLU 768.A N ASN 764.A O no hydrogen 2.859 N/A VAL 769.A N LEU 765.A O no hydrogen 2.880 N/A GLN 770.A N PRO 766.A O no hydrogen 2.988 N/A GLN 770.A NE2 PRO 766.A O no hydrogen 2.511 N/A ASN 771.A N HIS 767.A O no hydrogen 2.869 N/A LEU 772.A N GLU 768.A O no hydrogen 2.866 N/A GLU 773.A N VAL 769.A O no hydrogen 2.963 N/A LYS 774.A N GLN 770.A O no hydrogen 2.946 N/A HIS 775.A N ASN 771.A O no hydrogen 2.865 N/A HIS 775.A NE2 HIS 326.A NE2 no hydrogen 3.018 N/A ILE 776.A N LEU 772.A O no hydrogen 2.894 N/A GLU 777.A N GLU 773.A O no hydrogen 2.944 N/A VAL 778.A N LYS 774.A O no hydrogen 2.913 N/A ARG 779.A N HIS 775.A O no hydrogen 2.932 N/A ARG 779.A NE ASP 329.A OD2 no hydrogen 3.505 N/A ARG 779.A NH1 ALA 359.A O no hydrogen 3.432 N/A ARG 779.A NH2 SER 280.A OG no hydrogen 2.393 N/A ARG 779.A NH2 ASP 329.A OD2 no hydrogen 3.175 N/A LYS 780.A N ILE 776.A O no hydrogen 2.867 N/A GLU 781.A N GLU 777.A O no hydrogen 2.915 N/A LEU 782.A N VAL 778.A O no hydrogen 2.921 N/A ALA 783.A N ARG 779.A O no hydrogen 2.896 N/A GLU 784.A N LYS 780.A O no hydrogen 2.906 N/A LYS 785.A N GLU 781.A O no hydrogen 2.909 N/A MET 786.A N LEU 782.A O no hydrogen 2.913 N/A ARG 787.A N GLU 784.A O no hydrogen 3.105 N/A ARG 787.A NE LYS 785.A O no hydrogen 2.989 N/A