Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8oev_S.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N GLN 2.A OE1 no hydrogen 2.530 N/A ASP 3.A N ASP 1.A OD1 no hydrogen 2.875 N/A GLU 5.A N ASP 1.A O no hydrogen 3.041 N/A ILE 6.A N GLN 2.A O no hydrogen 2.921 N/A ARG 7.A N ASP 3.A O no hydrogen 2.898 N/A ALA 8.A N GLU 5.A O no hydrogen 3.220 N/A THR 9.A N GLU 5.A O no hydrogen 3.157 N/A GLU 13.A N GLY 603.A O no hydrogen 2.546 N/A ARG 14.A NE GLU 75.A OE2 no hydrogen 2.382 N/A ARG 14.A NH1 GLN 599.A O no hydrogen 3.053 N/A GLN 16.A N PRO 12.A O no hydrogen 3.139 N/A LEU 17.A N GLU 13.A O no hydrogen 2.902 N/A ARG 18.A N PHE 15.A O no hydrogen 3.409 N/A ARG 18.A NE ILE 20.A O no hydrogen 2.991 N/A ARG 18.A NH1 ASP 103.A OD2 no hydrogen 2.741 N/A ARG 18.A NH1 GLU 104.A OE2 no hydrogen 3.305 N/A ALA 25.A N ASN 71.A OD1 no hydrogen 3.413 N/A GLU 29.A N ASP 28.A OD1 no hydrogen 2.545 N/A GLU 32.A N ASP 28.A O no hydrogen 2.930 N/A GLU 33.A N GLU 29.A O no hydrogen 2.851 N/A ALA 34.A N LEU 30.A O no hydrogen 2.909 N/A ASP 35.A N GLU 31.A O no hydrogen 2.940 N/A TRP 36.A N GLU 32.A O no hydrogen 2.931 N/A ILE 37.A N GLU 33.A O no hydrogen 2.830 N/A TYR 38.A N ALA 34.A O no hydrogen 2.914 N/A ARG 39.A N ASP 35.A O no hydrogen 2.976 N/A ARG 39.A NH1 ASP 35.A OD1 no hydrogen 3.530 N/A ARG 39.A NH2 GLN 147.A OE1 no hydrogen 2.833 N/A ASN 40.A N TRP 36.A O no hydrogen 2.874 N/A ALA 41.A N TYR 38.A O no hydrogen 3.405 N/A PHE 42.A N TYR 38.A O no hydrogen 2.919 N/A ALA 43.A N TYR 38.A O no hydrogen 3.115 N/A THR 44.A OG1 ARG 39.A O no hydrogen 2.163 N/A THR 46.A OG1 SER 48.A O no hydrogen 2.597 N/A LEU 49.A N LEU 306.A O no hydrogen 3.084 N/A SER 52.A OG CYS 53.A O no hydrogen 3.399 N/A THR 58.A OG1 GLY 55.A O no hydrogen 2.149 N/A THR 58.A OG1 PRO 56.A O no hydrogen 3.540 N/A ILE 59.A N PRO 56.A O no hydrogen 2.962 N/A LYS 61.A N SER 57.A O no hydrogen 3.439 N/A LYS 61.A NZ GLU 85.A O no hydrogen 3.149 N/A LYS 61.A NZ GLU 88.A O no hydrogen 2.505 N/A ILE 62.A N THR 58.A O no hydrogen 2.487 N/A LYS 63.A N ILE 59.A O no hydrogen 2.501 N/A GLU 64.A N GLN 60.A O no hydrogen 2.576 N/A ALA 65.A N LYS 61.A O no hydrogen 2.613 N/A LEU 66.A N ILE 62.A O no hydrogen 2.627 N/A GLY 67.A N LYS 63.A O no hydrogen 3.002 N/A PHE 68.A N GLU 64.A O no hydrogen 3.358 N/A MET 69.A N ALA 65.A O no hydrogen 3.237 N/A ARG 70.A N LEU 66.A O no hydrogen 2.792 N/A ARG 70.A N GLY 67.A O no hydrogen 3.002 N/A ARG 70.A NE LYS 23.A O no hydrogen 2.710 N/A ARG 70.A NH1 GLU 29.A OE1 no hydrogen 2.827 N/A ARG 70.A NH2 LYS 23.A O no hydrogen 2.629 N/A ASN 71.A N GLY 67.A O no hydrogen 2.512 N/A ASN 71.A N PHE 68.A O no hydrogen 3.022 N/A PHE 74.A N PHE 68.A O no hydrogen 3.413 N/A GLU 75.A N ASN 642.A OD1 no hydrogen 3.437 N/A ILE 79.A N GLU 75.A O no hydrogen 3.096 N/A ALA 80.A N VAL 76.A O no hydrogen 2.863 N/A PHE 81.A N PRO 77.A O no hydrogen 2.943 N/A TYR 82.A OH GLY 645.A O no hydrogen 2.383 N/A LYS 84.A NZ PHE 81.A O no hydrogen 2.348 N/A GLU 85.A N GLU 85.A OE1 no hydrogen 2.847 N/A VAL 87.A N LYS 84.A O no hydrogen 3.141 N/A GLU 88.A N LYS 84.A O no hydrogen 2.570 N/A LEU 91.A N VAL 87.A O no hydrogen 3.293 N/A LEU 96.A N HIS 92.A O no hydrogen 2.942 N/A TRP 97.A N ILE 93.A O no hydrogen 2.967 N/A TRP 97.A NE1 ASN 576.A OD1 no hydrogen 2.625 N/A ARG 98.A N ASN 94.A O no hydrogen 2.887 N/A VAL 99.A N ASP 95.A O no hydrogen 2.847 N/A TRP 100.A N LEU 96.A O no hydrogen 2.936 N/A GLN 101.A N TRP 97.A O no hydrogen 2.927 N/A GLN 101.A NE2 ASN 568.A OD1 no hydrogen 3.425 N/A TRP 102.A N ARG 98.A O no hydrogen 2.881 N/A ASP 103.A N VAL 99.A O no hydrogen 2.848 N/A GLU 104.A N TRP 100.A O no hydrogen 3.103 N/A LYS 105.A N TRP 102.A O no hydrogen 3.168 N/A TRP 106.A N TRP 102.A O no hydrogen 2.890 N/A THR 107.A N ASP 103.A O no hydrogen 2.956 N/A THR 107.A OG1 ASP 103.A O no hydrogen 2.851 N/A LEU 109.A N LYS 105.A O no hydrogen 2.946 N/A ARG 110.A N TRP 106.A O no hydrogen 2.927 N/A ILE 111.A N THR 107.A O no hydrogen 2.919 N/A ARG 112.A N GLN 108.A O no hydrogen 2.952 N/A LYS 113.A N LEU 109.A O no hydrogen 2.907 N/A LYS 113.A NZ LYS 144.A O no hydrogen 2.752 N/A LYS 113.A NZ VAL 146.A O no hydrogen 3.000 N/A GLU 114.A N ARG 110.A O no hydrogen 2.753 N/A ASN 115.A N ILE 111.A O no hydrogen 2.973 N/A LEU 116.A N ARG 112.A O no hydrogen 2.889 N/A THR 117.A N LYS 113.A O no hydrogen 2.575 N/A THR 117.A OG1 LYS 113.A O no hydrogen 2.959 N/A THR 117.A OG1 GLU 114.A O no hydrogen 2.349 N/A ARG 118.A N GLU 114.A O no hydrogen 2.905 N/A ARG 118.A NH2 ASN 115.A OD1 no hydrogen 2.653 N/A LEU 119.A N ASN 115.A O no hydrogen 2.927 N/A PHE 120.A N LEU 116.A O no hydrogen 2.905 N/A GLU 121.A N THR 117.A O no hydrogen 2.929 N/A LYS 122.A N ARG 118.A O no hydrogen 2.949 N/A MET 123.A N LEU 119.A O no hydrogen 2.906 N/A GLN 124.A N PHE 120.A O no hydrogen 2.890 N/A ALA 125.A N GLU 121.A O no hydrogen 2.943 N/A TYR 126.A N LYS 122.A O no hydrogen 2.917 N/A GLN 127.A N MET 123.A O no hydrogen 2.873 N/A TYR 128.A N GLN 124.A O no hydrogen 2.910 N/A GLU 129.A N ALA 125.A O no hydrogen 2.935 N/A GLN 130.A N TYR 126.A O no hydrogen 2.916 N/A LEU 135.A N GLN 127.A OE1 no hydrogen 2.662 N/A ASP 136.A N ALA 134.A O no hydrogen 2.886 N/A THR 138.A OG1 ASP 136.A OD2 no hydrogen 3.346 N/A ASP 139.A N ASP 136.A O no hydrogen 3.220 N/A ASP 139.A N ASP 136.A OD1 no hydrogen 3.400 N/A GLU 141.A N THR 137.A O no hydrogen 2.864 N/A ARG 142.A N THR 138.A O no hydrogen 2.909 N/A ARG 142.A NH1 GLU 257.A OE2 no hydrogen 3.483 N/A ARG 142.A NH2 ASP 139.A OD1 no hydrogen 2.590 N/A ARG 142.A NH2 HIS 158.A ND1 no hydrogen 3.531 N/A LEU 143.A N ASP 139.A O no hydrogen 2.922 N/A LYS 144.A N MET 140.A O no hydrogen 2.899 N/A ASP 145.A N GLU 141.A O no hydrogen 2.724 N/A GLN 147.A N GLU 151.A OE1 no hydrogen 3.071 N/A GLN 147.A NE2 ASP 145.A O no hydrogen 3.374 N/A GLN 147.A NE2 VAL 146.A O no hydrogen 2.896 N/A GLU 151.A N SER 148.A OG no hydrogen 3.196 N/A LEU 152.A N SER 148.A O no hydrogen 3.350 N/A LYS 153.A N ASP 150.A O no hydrogen 3.159 N/A ASP 154.A N ASP 150.A O no hydrogen 3.142 N/A VAL 155.A N GLU 151.A O no hydrogen 2.882 N/A TYR 156.A N LEU 152.A O no hydrogen 3.321 N/A ASN 157.A N LYS 153.A O no hydrogen 2.884 N/A PHE 159.A N VAL 155.A O no hydrogen 2.902 N/A LEU 160.A N TYR 156.A O no hydrogen 2.902 N/A LEU 161.A N ASN 157.A O no hydrogen 2.878 N/A TYR 162.A N HIS 158.A O no hydrogen 3.441 N/A TYR 163.A N PHE 159.A O no hydrogen 3.078 N/A TYR 163.A OH ALA 134.A O no hydrogen 3.285 N/A GLY 164.A N LEU 160.A O no hydrogen 3.113 N/A ARG 165.A NH2 LEU 161.A O no hydrogen 2.647 N/A ASP 166.A N GLY 164.A O no hydrogen 2.696 N/A MET 170.A N ILE 167.A O no hydrogen 3.031 N/A ASN 172.A N PRO 168.A O no hydrogen 3.058 N/A SER 177.A OG ARG 178.A O no hydrogen 3.382 N/A CYS 185.A N MET 181.A O no hydrogen 2.935 N/A CYS 185.A SG MET 181.A O no hydrogen 3.365 N/A GLN 186.A N TYR 182.A O no hydrogen 2.896 N/A SER 187.A N THR 183.A O no hydrogen 2.888 N/A ALA 188.A N ILE 184.A O no hydrogen 2.842 N/A GLY 189.A N GLN 186.A O no hydrogen 3.049 N/A LEU 190.A N CYS 185.A O no hydrogen 2.974 N/A GLY 192.A N ASP 191.A OD1 no hydrogen 2.710 N/A ALA 194.A N LEU 190.A O no hydrogen 2.726 N/A LYS 195.A N ASP 191.A O no hydrogen 2.580 N/A LYS 196.A N LEU 193.A O no hydrogen 2.917 N/A PHE 197.A N ALA 194.A O no hydrogen 3.333 N/A THR 200.A N GLN 203.A OE1 no hydrogen 2.903 N/A PHE 204.A N THR 200.A O no hydrogen 3.231 N/A GLY 205.A N PRO 201.A O no hydrogen 2.917 N/A GLU 206.A N GLU 202.A O no hydrogen 2.926 N/A ASN 207.A N GLN 203.A O no hydrogen 2.903 N/A ASN 207.A ND2 HIS 215.A O no hydrogen 3.579 N/A ASN 207.A ND2 PHE 342.A O no hydrogen 3.562 N/A LEU 208.A N PHE 204.A O no hydrogen 2.871 N/A ARG 209.A N GLY 205.A O no hydrogen 2.931 N/A ASP 210.A N GLU 206.A O no hydrogen 2.938 N/A SER 211.A N LEU 208.A O no hydrogen 3.232 N/A SER 211.A OG LEU 208.A O no hydrogen 3.538 N/A ARG 214.A N TYR 212.A O no hydrogen 2.679 N/A ARG 214.A NE ASP 210.A OD2 no hydrogen 2.264 N/A HIS 215.A N ASN 207.A OD1 no hydrogen 3.199 N/A ALA 222.A N PHE 220.A O no hydrogen 2.519 N/A LEU 227.A N GLU 223.A O no hydrogen 3.084 N/A ALA 228.A N PRO 224.A O no hydrogen 2.906 N/A LYS 229.A N LEU 225.A O no hydrogen 3.222 N/A LYS 229.A NZ LEU 225.A O no hydrogen 2.808 N/A LYS 229.A NZ GLU 226.A OE1 no hydrogen 3.091 N/A ASP 230.A N LEU 227.A O no hydrogen 3.197 N/A TYR 231.A N ALA 228.A O no hydrogen 2.945 N/A VAL 232.A N ALA 228.A O no hydrogen 3.082 N/A CYS 233.A N PHE 236.A O no hydrogen 2.969 N/A CYS 233.A SG TYR 231.A O no hydrogen 3.314 N/A CYS 233.A SG VAL 232.A O no hydrogen 3.222 N/A VAL 242.A N THR 238.A O no hydrogen 3.308 N/A LEU 243.A N PRO 239.A O no hydrogen 2.927 N/A GLU 244.A N GLU 240.A O no hydrogen 2.874 N/A GLY 245.A N ALA 241.A O no hydrogen 2.894 N/A ALA 246.A N VAL 242.A O no hydrogen 2.897 N/A ARG 247.A N LEU 243.A O no hydrogen 2.924 N/A ARG 247.A NE LEU 243.A O no hydrogen 3.306 N/A TYR 248.A N GLU 244.A O no hydrogen 2.861 N/A MET 249.A N GLY 245.A O no hydrogen 2.926 N/A VAL 250.A N ALA 246.A O no hydrogen 2.914 N/A ALA 251.A N ARG 247.A O no hydrogen 2.905 N/A LEU 252.A N TYR 248.A O no hydrogen 2.910 N/A GLN 253.A N MET 249.A O no hydrogen 2.902 N/A GLN 253.A NE2 TYR 182.A OH no hydrogen 2.778 N/A ILE 254.A N VAL 250.A O no hydrogen 2.903 N/A ALA 255.A N ALA 251.A O no hydrogen 2.921 N/A ARG 256.A N LEU 252.A O no hydrogen 3.196 N/A GLU 257.A N ILE 254.A O no hydrogen 3.333 N/A ARG 261.A N GLU 257.A O no hydrogen 2.903 N/A ARG 261.A NE ALA 255.A O no hydrogen 3.365 N/A GLN 262.A N PRO 258.A O no hydrogen 2.862 N/A VAL 263.A N LEU 259.A O no hydrogen 2.955 N/A LEU 264.A N VAL 260.A O no hydrogen 2.971 N/A ARG 265.A N ARG 261.A O no hydrogen 2.847 N/A ARG 265.A NH2 ASP 154.A OD1 no hydrogen 2.965 N/A ARG 265.A NH2 GLU 378.A OE1 no hydrogen 3.504 N/A GLN 266.A N GLN 262.A O no hydrogen 2.963 N/A THR 267.A N VAL 263.A O no hydrogen 2.935 N/A THR 267.A OG1 VAL 263.A O no hydrogen 3.502 N/A THR 267.A OG1 LEU 264.A O no hydrogen 2.356 N/A PHE 268.A N LEU 264.A O no hydrogen 2.934 N/A GLN 269.A N ARG 265.A O no hydrogen 2.886 N/A GLU 270.A N GLN 266.A O no hydrogen 2.945 N/A GLU 270.A N THR 267.A O no hydrogen 3.120 N/A ARG 271.A N THR 267.A O no hydrogen 2.603 N/A LYS 273.A N SER 328.A O no hydrogen 2.872 N/A LYS 273.A NZ ILE 329.A O no hydrogen 2.880 N/A LEU 274.A N LYS 301.A O no hydrogen 2.693 N/A ASN 275.A N ASP 326.A O no hydrogen 2.890 N/A ASN 275.A ND2 ASP 326.A OD2 no hydrogen 3.125 N/A ILE 276.A N LEU 298.A O no hydrogen 3.167 N/A THR 277.A N THR 324.A O no hydrogen 2.913 N/A THR 277.A OG1 THR 324.A O no hydrogen 3.488 N/A THR 279.A N LEU 322.A O no hydrogen 2.517 N/A THR 279.A OG1 GLY 321.A O no hydrogen 2.365 N/A THR 279.A OG1 LEU 322.A O no hydrogen 2.788 N/A GLY 282.A N THR 279.A OG1 no hydrogen 3.205 N/A ARG 283.A N LYS 280.A O no hydrogen 2.913 N/A LYS 284.A N LYS 281.A O no hydrogen 3.306 N/A ASP 285.A N LYS 281.A O no hydrogen 2.861 N/A HIS 290.A N ASP 287.A OD1 no hydrogen 2.438 N/A ALA 292.A N HIS 290.A ND1 no hydrogen 3.157 N/A TYR 293.A N HIS 290.A O no hydrogen 3.332 N/A PHE 295.A N ALA 292.A O no hydrogen 2.936 N/A LEU 298.A N ILE 276.A O no hydrogen 3.204 N/A ASN 300.A N ASN 275.A OD1 no hydrogen 2.786 N/A LYS 301.A N LEU 274.A O no hydrogen 3.444 N/A VAL 303.A N ALA 272.A O no hydrogen 2.696 N/A GLU 305.A N PRO 302.A O no hydrogen 2.766 N/A LEU 306.A N VAL 303.A O no hydrogen 3.476 N/A LYS 313.A N ASP 309.A O no hydrogen 3.415 N/A LYS 313.A NZ ASP 309.A OD1 no hydrogen 3.169 N/A LYS 313.A NZ ASP 309.A OD2 no hydrogen 3.485 N/A ILE 314.A N GLN 310.A O no hydrogen 2.938 N/A CYS 315.A N PHE 311.A O no hydrogen 2.915 N/A CYS 315.A SG PHE 311.A O no hydrogen 3.596 N/A LEU 316.A N LEU 312.A O no hydrogen 2.888 N/A ALA 317.A N LYS 313.A O no hydrogen 2.913 N/A GLU 318.A N ILE 314.A O no hydrogen 2.927 N/A ASP 319.A N CYS 315.A O no hydrogen 2.838 N/A GLU 320.A N LEU 316.A O no hydrogen 2.960 N/A GLY 321.A N ALA 317.A O no hydrogen 2.995 N/A LEU 322.A N ALA 317.A O no hydrogen 3.002 N/A THR 324.A N THR 277.A O no hydrogen 2.846 N/A THR 325.A OG1 GLU 318.A OE1 no hydrogen 2.756 N/A ASP 326.A N ASN 275.A O no hydrogen 2.922 N/A SER 328.A N LYS 273.A O no hydrogen 2.932 N/A SER 328.A OG ASP 330.A O no hydrogen 3.425 N/A THR 334.A OG1 GLU 337.A OE2 no hydrogen 3.485 N/A TYR 335.A N ASP 330.A OD1 no hydrogen 2.630 N/A GLU 337.A N THR 334.A O no hydrogen 2.842 N/A GLU 338.A N GLU 338.A OE1 no hydrogen 2.444 N/A LYS 340.A N PHE 336.A O no hydrogen 2.838 N/A LYS 340.A NZ GLU 337.A OE1 no hydrogen 3.504 N/A GLN 341.A N GLU 337.A O no hydrogen 2.920 N/A PHE 342.A N GLU 338.A O no hydrogen 2.946 N/A TYR 343.A N ILE 339.A O no hydrogen 2.957 N/A TYR 343.A OH LEU 199.A O no hydrogen 3.299 N/A ARG 345.A N ASN 356.A OD1 no hydrogen 2.854 N/A ARG 345.A NE GLN 219.A OE1 no hydrogen 2.591 N/A ARG 345.A NH1 GLU 216.A OE2 no hydrogen 3.076 N/A ARG 345.A NH2 THR 217.A O no hydrogen 2.365 N/A ARG 345.A NH2 GLN 219.A OE1 no hydrogen 3.440 N/A HIS 350.A ND1 GLU 354.A OE1 no hydrogen 2.851 N/A VAL 352.A N SER 349.A OG no hydrogen 3.301 N/A GLN 353.A N SER 349.A O no hydrogen 2.815 N/A GLU 354.A N HIS 350.A O no hydrogen 2.889 N/A TRP 355.A N GLN 351.A O no hydrogen 2.925 N/A TRP 355.A NE1 ALA 222.A O no hydrogen 3.049 N/A ASN 356.A N VAL 352.A O no hydrogen 2.860 N/A ASN 356.A ND2 VAL 352.A O no hydrogen 3.081 N/A ARG 357.A N GLN 353.A O no hydrogen 2.866 N/A GLN 358.A N GLU 354.A O no hydrogen 2.952 N/A ARG 359.A N TRP 355.A O no hydrogen 2.896 N/A ARG 359.A NE ASN 356.A OD1 no hydrogen 3.137 N/A THR 360.A N ASN 356.A O no hydrogen 2.850 N/A MET 361.A N ARG 357.A O no hydrogen 2.958 N/A ALA 362.A N GLN 358.A O no hydrogen 2.927 N/A ILE 363.A N ARG 359.A O no hydrogen 2.917 N/A GLU 364.A N THR 360.A O no hydrogen 2.869 N/A ARG 365.A N MET 361.A O no hydrogen 2.961 N/A ALA 366.A N ALA 362.A O no hydrogen 2.927 N/A LEU 367.A N ILE 363.A O no hydrogen 2.891 N/A GLN 368.A N GLU 364.A O no hydrogen 2.910 N/A GLN 368.A NE2 GLU 364.A OE2 no hydrogen 3.237 N/A GLN 369.A N ARG 365.A O no hydrogen 2.878 N/A LEU 371.A N ALA 366.A O no hydrogen 3.038 N/A TYR 372.A N LEU 367.A O no hydrogen 2.867 N/A TYR 372.A OH ASP 330.A OD2 no hydrogen 3.238 N/A GLN 374.A N PHE 370.A O no hydrogen 3.407 N/A MET 375.A N LEU 371.A O no hydrogen 2.923 N/A ALA 376.A N TYR 372.A O no hydrogen 2.863 N/A LYS 377.A N VAL 373.A O no hydrogen 2.981 N/A GLU 378.A N GLN 374.A O no hydrogen 2.922 N/A LEU 379.A N MET 375.A O no hydrogen 2.870 N/A LYS 380.A N ALA 376.A O no hydrogen 2.898 N/A ASN 381.A N LYS 377.A O no hydrogen 2.923 N/A LYS 382.A N GLU 378.A O no hydrogen 2.925 N/A LEU 383.A N LEU 379.A O no hydrogen 2.899 N/A LEU 384.A N LYS 380.A O no hydrogen 2.899 N/A ALA 385.A N ASN 381.A O no hydrogen 2.895 N/A GLU 386.A N LYS 382.A O no hydrogen 2.897 N/A ALA 387.A N LEU 383.A O no hydrogen 2.930 N/A LYS 388.A N LEU 384.A O no hydrogen 2.891 N/A GLU 389.A N ALA 385.A O no hydrogen 2.911 N/A TYR 390.A N GLU 386.A O no hydrogen 2.913 N/A VAL 391.A N ALA 387.A O no hydrogen 2.953 N/A ILE 392.A N LYS 388.A O no hydrogen 2.926 N/A LYS 393.A N GLU 389.A O no hydrogen 2.868 N/A ALA 394.A N TYR 390.A O no hydrogen 2.906 N/A CYS 395.A N VAL 391.A O no hydrogen 2.933 N/A CYS 395.A SG VAL 391.A O no hydrogen 3.065 N/A SER 396.A N ILE 392.A O no hydrogen 2.905 N/A SER 396.A OG ILE 392.A O no hydrogen 2.964 N/A ARG 397.A N LYS 393.A O no hydrogen 2.878 N/A LYS 398.A N ALA 394.A O no hydrogen 2.948 N/A LYS 398.A NZ PHE 554.A O no hydrogen 3.061 N/A LEU 399.A N CYS 395.A O no hydrogen 2.979 N/A TYR 400.A N SER 396.A O no hydrogen 2.854 N/A ASN 401.A N ARG 397.A O no hydrogen 2.906 N/A TRP 402.A N LYS 398.A O no hydrogen 2.950 N/A LEU 403.A N LEU 399.A O no hydrogen 2.917 N/A ARG 404.A N ASN 401.A O no hydrogen 3.207 N/A ALA 406.A N THR 733.A O no hydrogen 2.554 N/A ARG 409.A NE TYR 408.A O no hydrogen 2.532 N/A ARG 409.A NH2 TYR 408.A O no hydrogen 3.496 N/A ARG 413.A N HIS 467.A ND1 no hydrogen 3.100 N/A LEU 415.A N VAL 468.A O no hydrogen 3.191 N/A GLY 416.A N ALA 426.A O no hydrogen 2.928 N/A ILE 417.A N THR 470.A O no hydrogen 2.453 N/A CYS 425.A N LEU 438.A O no hydrogen 2.902 N/A CYS 425.A SG LEU 438.A O no hydrogen 3.255 N/A ALA 426.A N GLY 416.A O no hydrogen 3.419 N/A LEU 427.A N ASP 436.A O no hydrogen 3.466 N/A VAL 428.A N VAL 414.A O no hydrogen 2.924 N/A THR 435.A N LEU 427.A O no hydrogen 3.244 N/A THR 435.A OG1 LEU 427.A O no hydrogen 3.428 N/A THR 435.A OG1 ASP 436.A OD1 no hydrogen 3.120 N/A LEU 438.A N CYS 425.A O no hydrogen 2.922 N/A LEU 440.A N VAL 423.A O no hydrogen 3.302 N/A HIS 442.A N LEU 440.A O no hydrogen 2.736 N/A GLU 448.A N GLU 445.A O no hydrogen 3.103 N/A LYS 450.A N GLU 446.A O no hydrogen 2.950 N/A LYS 450.A NZ ASP 484.A OD2 no hydrogen 2.541 N/A GLN 452.A N GLU 448.A O no hydrogen 2.923 N/A ASP 453.A N LYS 449.A O no hydrogen 2.916 N/A ILE 454.A N LYS 450.A O no hydrogen 2.906 N/A GLU 455.A N ALA 451.A O no hydrogen 2.880 N/A THR 456.A N GLN 452.A O no hydrogen 2.952 N/A LEU 457.A N ASP 453.A O no hydrogen 2.904 N/A LYS 458.A N ILE 454.A O no hydrogen 2.998 N/A LYS 459.A N GLU 455.A O no hydrogen 2.948 N/A LYS 459.A NZ GLU 455.A OE2 no hydrogen 2.935 N/A PHE 460.A N THR 456.A O no hydrogen 2.900 N/A LEU 461.A N LEU 457.A O no hydrogen 2.949 N/A LEU 462.A N LYS 458.A O no hydrogen 2.922 N/A ASN 463.A N LYS 459.A O no hydrogen 2.908 N/A LYS 464.A N PHE 460.A O no hydrogen 2.832 N/A LYS 465.A NZ ASN 463.A O no hydrogen 2.674 N/A HIS 467.A N ARG 413.A O no hydrogen 2.683 N/A HIS 467.A ND1 ARG 413.A O no hydrogen 3.081 N/A VAL 469.A N GLY 493.A O no hydrogen 2.763 N/A THR 470.A N LEU 415.A O no hydrogen 2.862 N/A THR 470.A OG1 LEU 415.A O no hydrogen 2.949 N/A VAL 471.A N GLU 495.A O no hydrogen 2.907 N/A ALA 472.A N ILE 417.A O no hydrogen 2.713 N/A GLN 479.A N ARG 476.A O no hydrogen 2.903 N/A MET 480.A N ASP 477.A O no hydrogen 3.241 N/A LEU 481.A N ASP 477.A O no hydrogen 2.984 N/A ASP 484.A N MET 480.A O no hydrogen 3.175 N/A VAL 485.A N ILE 482.A O no hydrogen 3.183 N/A LYS 486.A N ILE 482.A O no hydrogen 2.896 N/A VAL 489.A N VAL 485.A O no hydrogen 3.213 N/A VAL 489.A N LYS 486.A O no hydrogen 3.261 N/A HIS 490.A N ARG 487.A O no hydrogen 2.912 N/A HIS 490.A ND1 ARG 487.A O no hydrogen 2.992 N/A GLU 491.A N ILE 488.A O no hydrogen 3.163 N/A GLY 493.A N HIS 467.A O no hydrogen 3.020 N/A GLU 495.A N VAL 469.A O no hydrogen 2.836 N/A ASN 499.A N ASP 498.A OD1 no hydrogen 2.618 N/A GLU 500.A N GLU 500.A OE1 no hydrogen 2.824 N/A ILE 503.A N ASN 499.A O no hydrogen 2.551 N/A LEU 504.A N GLU 500.A O no hydrogen 2.996 N/A TYR 505.A N LEU 501.A O no hydrogen 2.906 N/A TYR 505.A OH GLU 514.A OE1 no hydrogen 2.568 N/A MET 506.A N ALA 502.A O no hydrogen 2.862 N/A ASN 507.A N ILE 503.A O no hydrogen 2.959 N/A SER 508.A N TYR 505.A O no hydrogen 3.072 N/A SER 511.A OG TYR 505.A O no hydrogen 3.171 N/A GLU 512.A N SER 508.A O no hydrogen 2.857 N/A ALA 513.A N LYS 509.A O no hydrogen 2.901 N/A GLU 514.A N LYS 510.A O no hydrogen 2.920 N/A PHE 515.A N SER 511.A O no hydrogen 2.620 N/A ARG 523.A N PRO 519.A O no hydrogen 3.016 N/A GLN 524.A N PRO 520.A O no hydrogen 2.919 N/A GLN 524.A NE2 GLU 474.A OE2 no hydrogen 3.004 N/A ALA 525.A N VAL 521.A O no hydrogen 2.867 N/A VAL 526.A N LEU 522.A O no hydrogen 2.907 N/A SER 527.A N ARG 523.A O no hydrogen 2.942 N/A SER 527.A OG ARG 523.A O no hydrogen 3.504 N/A SER 527.A OG GLN 524.A O no hydrogen 2.724 N/A LEU 528.A N GLN 524.A O no hydrogen 2.878 N/A ALA 529.A N ALA 525.A O no hydrogen 2.956 N/A ARG 530.A N VAL 526.A O no hydrogen 2.909 N/A ARG 530.A NH1 GLU 514.A OE1 no hydrogen 3.201 N/A ARG 531.A N SER 527.A O no hydrogen 2.823 N/A ARG 531.A NH1 GLU 500.A OE2 no hydrogen 3.043 N/A ILE 532.A N LEU 528.A O no hydrogen 2.957 N/A GLN 533.A N ALA 529.A O no hydrogen 2.897 N/A GLN 533.A NE2 ILE 412.A O no hydrogen 2.874 N/A GLN 533.A NE2 ASN 429.A O no hydrogen 2.443 N/A ASP 534.A N ARG 530.A O no hydrogen 2.854 N/A PHE 539.A N PRO 535.A O no hydrogen 2.920 N/A ALA 540.A N LEU 536.A O no hydrogen 2.909 N/A GLN 541.A N ILE 537.A O no hydrogen 2.945 N/A GLN 541.A NE2 GLN 541.A O no hydrogen 3.396 N/A VAL 542.A N GLU 538.A O no hydrogen 2.914 N/A CYS 543.A N PHE 539.A O no hydrogen 2.959 N/A SER 544.A OG GLN 541.A O no hydrogen 3.125 N/A GLU 547.A N GLU 547.A OE1 no hydrogen 2.583 N/A ILE 549.A N SER 545.A O no hydrogen 2.901 N/A LEU 550.A N ASP 546.A O no hydrogen 2.908 N/A CYS 551.A N GLU 547.A O no hydrogen 2.903 N/A CYS 551.A N ASP 548.A O no hydrogen 3.373 N/A CYS 551.A SG GLU 547.A O no hydrogen 3.074 N/A LYS 553.A NZ HIS 555.A O no hydrogen 2.616 N/A LYS 553.A NZ PRO 556.A O no hydrogen 3.167 N/A PHE 554.A N GLN 558.A OE1 no hydrogen 2.924 N/A HIS 555.A N GLN 558.A OE1 no hydrogen 3.438 N/A LEU 557.A N HIS 555.A ND1 no hydrogen 3.375 N/A GLN 558.A N HIS 555.A O no hydrogen 3.459 N/A GLN 558.A NE2 LEU 552.A O no hydrogen 2.719 N/A HIS 560.A N LEU 557.A O no hydrogen 2.836 N/A LEU 566.A N VAL 562.A O no hydrogen 3.114 N/A LEU 567.A N LYS 563.A O no hydrogen 2.899 N/A ASN 568.A N GLU 564.A O no hydrogen 2.914 N/A ALA 569.A N GLU 565.A O no hydrogen 2.917 N/A LEU 570.A N LEU 566.A O no hydrogen 2.957 N/A TYR 571.A N LEU 567.A O no hydrogen 2.865 N/A CYS 572.A N ASN 568.A O no hydrogen 2.874 N/A CYS 572.A SG ASN 568.A O no hydrogen 3.469 N/A CYS 572.A SG ALA 569.A O no hydrogen 2.918 N/A GLU 573.A N ALA 569.A O no hydrogen 3.010 N/A PHE 574.A N LEU 570.A O no hydrogen 2.947 N/A ILE 575.A N TYR 571.A O no hydrogen 2.882 N/A ASN 576.A N CYS 572.A O no hydrogen 2.864 N/A ASN 576.A ND2 ASN 94.A OD1 no hydrogen 3.425 N/A ARG 577.A N GLU 573.A O no hydrogen 3.009 N/A ARG 577.A NH1 GLU 580.A OE1 no hydrogen 3.537 N/A VAL 578.A N PHE 574.A O no hydrogen 2.876 N/A ASN 579.A N ILE 575.A O no hydrogen 2.951 N/A ASN 579.A ND2 ILE 575.A O no hydrogen 2.672 N/A ASN 579.A ND2 TYR 600.A O no hydrogen 3.060 N/A GLU 580.A N ASN 576.A O no hydrogen 2.931 N/A VAL 581.A N ARG 577.A O no hydrogen 2.884 N/A GLY 582.A N VAL 578.A O no hydrogen 2.612 N/A VAL 583.A N PHE 646.A O no hydrogen 3.038 N/A VAL 585.A N LYS 648.A O no hydrogen 3.356 N/A ASN 586.A ND2 LEU 623.A O no hydrogen 3.447 N/A ARG 587.A N ASP 584.A OD1 no hydrogen 3.116 N/A ILE 589.A N VAL 585.A O no hydrogen 2.899 N/A ALA 590.A N ARG 587.A O no hydrogen 3.355 N/A HIS 591.A N ARG 587.A O no hydrogen 3.006 N/A GLN 595.A N PRO 592.A O no hydrogen 2.922 N/A LEU 597.A N SER 594.A O no hydrogen 2.947 N/A ILE 598.A N GLN 595.A O no hydrogen 2.966 N/A GLN 599.A NE2 ALA 596.A O no hydrogen 3.555 N/A TYR 600.A N LEU 597.A O no hydrogen 2.935 N/A VAL 601.A N ILE 598.A O no hydrogen 2.930 N/A CYS 602.A N ASN 579.A OD1 no hydrogen 3.086 N/A CYS 602.A SG ASN 642.A O no hydrogen 3.132 N/A GLY 603.A N GLU 75.A OE1 no hydrogen 2.417 N/A LEU 604.A N CYS 602.A O no hydrogen 2.694 N/A ARG 607.A N GLU 13.A OE1 no hydrogen 2.522 N/A ARG 607.A N GLU 13.A OE2 no hydrogen 3.284 N/A LYS 608.A N GLU 13.A OE2 no hydrogen 2.832 N/A LYS 608.A NZ ILE 6.A O no hydrogen 2.950 N/A LYS 608.A NZ THR 9.A O no hydrogen 2.908 N/A GLY 609.A N GLY 605.A O no hydrogen 3.054 N/A THR 610.A OG1 PRO 606.A O no hydrogen 3.421 N/A THR 610.A OG1 ARG 607.A O no hydrogen 2.673 N/A HIS 611.A N ARG 607.A O no hydrogen 2.997 N/A LEU 612.A N LYS 608.A O no hydrogen 2.850 N/A LEU 613.A N GLY 609.A O no hydrogen 2.951 N/A LYS 614.A N THR 610.A O no hydrogen 2.920 N/A ILE 615.A N HIS 611.A O no hydrogen 2.865 N/A LEU 616.A N LEU 612.A O no hydrogen 2.943 N/A LYS 617.A N LEU 613.A O no hydrogen 2.921 N/A LYS 617.A NZ ILE 589.A O no hydrogen 3.143 N/A GLN 618.A N LYS 614.A O no hydrogen 2.868 N/A GLN 618.A N ILE 615.A O no hydrogen 2.913 N/A ASN 619.A N ILE 615.A O no hydrogen 3.076 N/A THR 621.A N LEU 616.A O no hydrogen 3.356 N/A SER 625.A OG THR 627.A OG1 no hydrogen 2.865 N/A SER 625.A OG ASP 658.A OD2 no hydrogen 2.908 N/A ARG 626.A NH1 LEU 647.A O no hydrogen 3.557 N/A THR 627.A N SER 625.A OG no hydrogen 3.097 N/A THR 627.A OG1 SER 625.A OG no hydrogen 2.865 N/A GLN 628.A NE2 ARG 622.A O no hydrogen 3.429 N/A GLN 628.A NE2 GLU 624.A OE1 no hydrogen 3.030 N/A LEU 629.A N SER 625.A O no hydrogen 3.172 N/A VAL 630.A N ARG 626.A O no hydrogen 2.925 N/A THR 631.A N THR 627.A O no hydrogen 2.937 N/A THR 631.A OG1 THR 627.A O no hydrogen 2.740 N/A THR 631.A OG1 GLN 628.A O no hydrogen 3.175 N/A MET 632.A N GLN 628.A O no hydrogen 2.862 N/A HIS 634.A ND1 MET 632.A O no hydrogen 2.947 N/A LYS 638.A N ASP 10.A OD2 no hydrogen 2.831 N/A LYS 638.A NZ GLN 72.A O no hydrogen 2.927 N/A LYS 638.A NZ HIS 73.A ND1 no hydrogen 2.977 N/A VAL 639.A N ASP 10.A OD1 no hydrogen 2.924 N/A PHE 640.A N GLY 636.A O no hydrogen 2.807 N/A MET 641.A N PRO 637.A O no hydrogen 2.874 N/A ASN 642.A N LYS 638.A O no hydrogen 2.918 N/A ASN 642.A N VAL 639.A O no hydrogen 3.260 N/A CYS 643.A N VAL 639.A O no hydrogen 2.912 N/A CYS 643.A SG VAL 639.A O no hydrogen 3.141 N/A ALA 644.A N PHE 640.A O no hydrogen 2.871 N/A LEU 647.A N CYS 643.A O no hydrogen 3.331 N/A SER 653.A N THR 651.A O no hydrogen 2.913 N/A SER 653.A OG ASP 650.A O no hydrogen 3.541 N/A ASP 658.A N GLU 655.A O no hydrogen 3.098 N/A GLY 659.A N VAL 656.A O no hydrogen 2.923 N/A SER 660.A N LEU 657.A O no hydrogen 3.079 N/A SER 660.A OG LEU 657.A O no hydrogen 2.414 N/A ARG 661.A NH1 LYS 729.A O no hydrogen 3.117 N/A GLU 665.A N HIS 663.A ND1 no hydrogen 3.295 N/A THR 666.A N HIS 663.A O no hydrogen 3.079 N/A THR 666.A OG1 THR 666.A O no hydrogen 2.528 N/A TYR 667.A N PRO 664.A O no hydrogen 2.929 N/A TYR 667.A OH ASP 658.A OD1 no hydrogen 2.148 N/A ARG 671.A N TYR 667.A O no hydrogen 2.990 N/A ARG 671.A NH1 GLU 655.A OE2 no hydrogen 3.026 N/A ARG 671.A NH2 GLU 655.A OE2 no hydrogen 3.175 N/A LYS 672.A N GLU 668.A O no hydrogen 2.923 N/A MET 673.A N TRP 669.A O no hydrogen 2.777 N/A ALA 674.A N ALA 670.A O no hydrogen 2.917 N/A VAL 675.A N ARG 671.A O no hydrogen 2.568 N/A ASP 676.A N LYS 672.A O no hydrogen 2.818 N/A ASP 676.A N MET 673.A O no hydrogen 2.976 N/A ALA 677.A N ALA 674.A O no hydrogen 2.912 N/A LEU 678.A N VAL 675.A O no hydrogen 3.447 N/A LEU 683.A N ALA 680.A O no hydrogen 3.268 N/A GLU 688.A N GLU 684.A O no hydrogen 2.723 N/A GLU 691.A N GLU 691.A OE1 no hydrogen 2.472 N/A ASP 695.A N ARG 692.A O no hydrogen 3.180 N/A PHE 701.A N ASP 697.A O no hydrogen 3.166 N/A ALA 702.A N LEU 698.A O no hydrogen 2.927 N/A GLU 703.A N ASP 699.A O no hydrogen 2.905 N/A GLU 704.A N ALA 700.A O no hydrogen 2.873 N/A LEU 705.A N PHE 701.A O no hydrogen 2.870 N/A GLU 706.A N ALA 702.A O no hydrogen 2.952 N/A ARG 707.A N GLU 703.A O no hydrogen 2.900 N/A ARG 707.A NH1 GLN 708.A OE1 no hydrogen 3.205 N/A GLN 708.A N GLU 704.A O no hydrogen 2.895 N/A THR 716.A OG1 GLU 85.A OE1 no hydrogen 3.300 N/A LEU 717.A N LYS 713.A O no hydrogen 2.822 N/A TYR 718.A N HIS 714.A O no hydrogen 2.956 N/A ASP 719.A N ILE 715.A O no hydrogen 2.877 N/A ILE 720.A N THR 716.A O no hydrogen 2.894 N/A ARG 721.A N LEU 717.A O no hydrogen 2.914 N/A ALA 722.A N TYR 718.A O no hydrogen 2.942 N/A GLU 723.A N ASP 719.A O no hydrogen 2.847 N/A LEU 724.A N ILE 720.A O no hydrogen 2.870 N/A SER 725.A N ARG 721.A O no hydrogen 2.951 N/A SER 725.A OG ARG 721.A O no hydrogen 2.523 N/A CYS 726.A N ALA 722.A O no hydrogen 3.144 N/A ARG 727.A NE GLY 659.A O no hydrogen 3.301 N/A ARG 727.A NH2 THR 651.A OG1 no hydrogen 2.963 N/A TYR 728.A N GLU 723.A OE2 no hydrogen 2.645 N/A ARG 732.A NH1 ASP 534.A OD2 no hydrogen 3.364 N/A ARG 732.A NH2 ASP 730.A OD2 no hydrogen 2.238 N/A SER 737.A OG GLU 495.A OE1 no hydrogen 3.083 N/A SER 737.A OG GLU 495.A OE2 no hydrogen 2.930 N/A ASN 739.A ND2 GLU 742.A OE1 no hydrogen 3.464 N/A GLU 742.A N GLU 742.A OE1 no hydrogen 2.354 N/A ILE 743.A N ASN 739.A O no hydrogen 2.927 N/A PHE 744.A N THR 740.A O no hydrogen 2.877 N/A ASN 745.A N GLU 741.A O no hydrogen 2.896 N/A ASN 745.A ND2 GLU 741.A OE1 no hydrogen 2.630 N/A MET 746.A N GLU 742.A O no hydrogen 2.915 N/A LEU 747.A N ILE 743.A O no hydrogen 2.991 N/A THR 748.A N PHE 744.A O no hydrogen 2.928 N/A THR 748.A OG1 PHE 744.A O no hydrogen 2.452 N/A LYS 749.A N MET 746.A O no hydrogen 3.172 N/A GLU 750.A N ASN 745.A O no hydrogen 3.369 N/A THR 751.A N THR 754.A OG1 no hydrogen 2.523 N/A THR 751.A OG1 THR 754.A OG1 no hydrogen 2.458 N/A THR 754.A N THR 751.A OG1 no hydrogen 3.208 N/A THR 754.A OG1 THR 751.A O no hydrogen 2.726 N/A THR 754.A OG1 THR 751.A OG1 no hydrogen 2.458 N/A PHE 755.A N THR 751.A O no hydrogen 2.628 N/A LYS 759.A N TYR 756.A O no hydrogen 3.351 N/A LYS 759.A NZ THR 754.A O no hydrogen 2.734 N/A ILE 761.A N CYS 802.A O no hydrogen 2.476 N/A CYS 763.A SG VAL 800.A O no hydrogen 3.166 N/A ASN 764.A N ARG 775.A O no hydrogen 2.751 N/A VAL 772.A N ILE 784.A O no hydrogen 2.964 N/A THR 774.A N GLY 782.A O no hydrogen 2.900 N/A THR 774.A OG1 GLY 782.A O no hydrogen 3.303 N/A ARG 775.A N ASN 764.A O no hydrogen 2.376 N/A LEU 776.A N VAL 780.A O no hydrogen 3.233 N/A GLY 779.A N LEU 776.A O no hydrogen 2.834 N/A THR 781.A N PHE 812.A O no hydrogen 3.130 N/A THR 781.A OG1 PHE 812.A O no hydrogen 2.988 N/A GLY 782.A N THR 774.A O no hydrogen 2.881 N/A ILE 784.A N VAL 772.A O no hydrogen 2.854 N/A PHE 788.A N PRO 785.A O no hydrogen 2.944 N/A LEU 789.A N THR 786.A O no hydrogen 2.861 N/A GLU 791.A N GLU 791.A OE1 no hydrogen 2.762 N/A THR 799.A OG1 CYS 763.A O no hydrogen 2.721 N/A CYS 802.A N ILE 761.A O no hydrogen 2.987 N/A CYS 802.A SG VAL 800.A O no hydrogen 3.438 N/A CYS 802.A SG HIS 801.A O no hydrogen 3.083 N/A ILE 804.A N LYS 759.A O no hydrogen 3.111 N/A MET 805.A N ASP 815.A O no hydrogen 2.984 N/A ASP 808.A N SER 813.A O no hydrogen 2.815 N/A GLU 810.A N GLU 810.A OE1 no hydrogen 2.490 N/A LYS 811.A N ASP 808.A OD2 no hydrogen 3.322 N/A SER 813.A OG ASP 815.A OD1 no hydrogen 2.566 N/A ALA 814.A N THR 781.A O no hydrogen 2.640 N/A LEU 816.A N PHE 783.A O no hydrogen 3.286 N/A THR 817.A OG1 ARG 803.A O no hydrogen 3.462 N/A THR 817.A OG1 ASP 822.A OD2 no hydrogen 3.263 N/A CYS 818.A SG HIS 801.A O no hydrogen 4.020 N/A CYS 818.A SG CYS 818.A O no hydrogen 2.913 N/A ASP 822.A N ARG 819.A O no hydrogen 2.705 N/A LEU 823.A N ARG 819.A O no hydrogen 3.249 N/A