Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xs4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 ASP 4.A OD2 no hydrogen 3.383 N/A GLN 3.A N GLN 3.A OE1 no hydrogen 2.536 N/A ILE 5.A N THR 1.A O no hydrogen 3.359 N/A GLY 6.A N LEU 2.A O no hydrogen 2.832 N/A VAL 7.A N GLN 3.A O no hydrogen 2.959 N/A SER 8.A N ASP 4.A O no hydrogen 2.920 N/A SER 8.A OG ASP 4.A O no hydrogen 2.564 N/A SER 8.A OG ILE 5.A O no hydrogen 2.973 N/A ALA 9.A N ILE 5.A O no hydrogen 2.843 N/A GLY 10.A N GLY 6.A O no hydrogen 2.895 N/A ILE 11.A N VAL 7.A O no hydrogen 2.953 N/A ASN 12.A N SER 8.A O no hydrogen 2.887 N/A ILE 13.A N ALA 9.A O no hydrogen 2.888 N/A LEU 14.A N GLY 10.A O no hydrogen 2.940 N/A SER 15.A N ILE 11.A O no hydrogen 2.868 N/A ALA 16.A N ASN 12.A O no hydrogen 2.883 N/A PHE 17.A N ILE 13.A O no hydrogen 2.908 N/A VAL 18.A N LEU 14.A O no hydrogen 2.887 N/A PHE 19.A N SER 15.A O no hydrogen 2.880 N/A PHE 20.A N ALA 16.A O no hydrogen 2.926 N/A ILE 21.A N PHE 17.A O no hydrogen 2.890 N/A ILE 22.A N VAL 18.A O no hydrogen 2.934 N/A PHE 23.A N PHE 19.A O no hydrogen 2.845 N/A ALA 24.A N PHE 20.A O no hydrogen 2.912 N/A VAL 25.A N ILE 21.A O no hydrogen 2.933 N/A LEU 26.A N ILE 22.A O no hydrogen 2.893 N/A ARG 27.A N PHE 23.A O no hydrogen 2.875 N/A LEU 28.A N ALA 24.A O no hydrogen 2.952 N/A GLN 29.A N VAL 25.A O no hydrogen 3.289 N/A PHE 31.A N GLN 29.A OE1 no hydrogen 3.375 N/A ASP 33.A N PRO 30.A O no hydrogen 3.212 N/A ARG 34.A NH2 SER 48.A O no hydrogen 3.366 N/A VAL 35.A N ASN 32.A O no hydrogen 3.381 N/A TYR 36.A OH LEU 511.A O no hydrogen 3.165 N/A SER 38.A OG VAL 35.A O no hydrogen 2.938 N/A LYS 39.A N ASN 589.A O no hydrogen 2.875 N/A LYS 39.A NZ ASN 592.A OD1 no hydrogen 2.882 N/A TRP 40.A NE1 ASN 589.A OD1 no hydrogen 2.961 N/A LEU 42.A N SER 38.A O no hydrogen 3.390 N/A LYS 43.A NZ HIS 68.A O no hydrogen 2.961 N/A LEU 45.A N TRP 40.A O no hydrogen 2.861 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.625 N/A ALA 57.A N TRP 53.A O no hydrogen 2.957 N/A ALA 57.A N MET 54.A O no hydrogen 2.946 N/A LEU 58.A N PRO 55.A O no hydrogen 3.231 N/A LEU 65.A N PRO 61.A O no hydrogen 2.882 N/A ILE 66.A N GLU 62.A O no hydrogen 2.874 N/A ASP 67.A N PRO 63.A O no hydrogen 2.942 N/A HIS 68.A N GLU 64.A O no hydrogen 2.866 N/A ALA 69.A N LEU 65.A O no hydrogen 2.915 N/A LEU 71.A N GLU 596.A OE2 no hydrogen 3.257 N/A SER 73.A N GLN 593.A OE1 no hydrogen 3.113 N/A SER 73.A OG GLN 593.A OE1 no hydrogen 2.591 N/A VAL 75.A N LEU 71.A O no hydrogen 2.889 N/A TYR 76.A N ASP 72.A O no hydrogen 2.919 N/A TYR 76.A OH TYR 80.A OH no hydrogen 3.001 N/A LEU 77.A N SER 73.A O no hydrogen 2.920 N/A ARG 78.A N VAL 74.A O no hydrogen 2.879 N/A ARG 78.A NE GLU 158.A OE2 no hydrogen 2.601 N/A ARG 78.A NH2 GLU 158.A OE1 no hydrogen 2.999 N/A ARG 78.A NH2 GLU 158.A OE2 no hydrogen 2.775 N/A ILE 79.A N VAL 75.A O no hydrogen 2.823 N/A TYR 80.A N TYR 76.A O no hydrogen 3.068 N/A TYR 80.A OH TYR 76.A OH no hydrogen 3.001 N/A TRP 81.A N LEU 77.A O no hydrogen 2.971 N/A LEU 82.A N ARG 78.A O no hydrogen 2.848 N/A LYS 85.A N TRP 81.A O no hydrogen 3.023 N/A LYS 85.A NZ GLU 158.A OE1 no hydrogen 2.293 N/A ILE 86.A N LEU 82.A O no hydrogen 2.877 N/A PHE 87.A N GLY 83.A O no hydrogen 2.921 N/A THR 88.A N LEU 84.A O no hydrogen 2.938 N/A THR 88.A OG1 LEU 84.A O no hydrogen 2.688 N/A ALA 91.A N PHE 87.A O no hydrogen 3.139 N/A VAL 92.A N THR 88.A O no hydrogen 2.955 N/A LEU 93.A N PRO 89.A O no hydrogen 2.878 N/A ALA 94.A N ILE 90.A O no hydrogen 2.895 N/A TRP 95.A N ALA 91.A O no hydrogen 2.905 N/A TRP 95.A NE1 PRO 566.A O no hydrogen 2.460 N/A ALA 96.A N VAL 92.A O no hydrogen 2.905 N/A VAL 97.A N ALA 94.A O no hydrogen 3.362 N/A LEU 98.A N ALA 94.A O no hydrogen 2.879 N/A ASN 102.A ND2 ASN 105.A OD1 no hydrogen 3.039 N/A LYS 112.A NZ GLU 109.A OE1 no hydrogen 3.494 N/A GLN 113.A N GLN 113.A OE1 no hydrogen 2.443 N/A ASN 116.A N LEU 114.A O no hydrogen 2.997 N/A SER 119.A OG SER 119.A O no hydrogen 2.604 N/A ASP 123.A N ASP 121.A O no hydrogen 3.064 N/A SER 126.A OG ILE 130.A O no hydrogen 3.353 N/A SER 126.A OG GLU 132.A OE1 no hydrogen 2.500 N/A SER 126.A OG GLU 132.A OE2 no hydrogen 3.144 N/A ASN 129.A ND2 LYS 124.A O no hydrogen 3.186 N/A ILE 130.A N LEU 125.A O no hydrogen 3.311 N/A SER 134.A OG GLU 132.A O no hydrogen 3.482 N/A THR 139.A N MET 135.A O no hydrogen 2.858 N/A THR 139.A OG1 MET 135.A O no hydrogen 2.300 N/A HIS 140.A N ARG 136.A O no hydrogen 2.906 N/A ILE 141.A N PHE 137.A O no hydrogen 2.881 N/A VAL 142.A N TRP 138.A O no hydrogen 2.926 N/A MET 143.A N THR 139.A O no hydrogen 2.912 N/A ALA 144.A N HIS 140.A O no hydrogen 2.889 N/A TYR 145.A N ILE 141.A O no hydrogen 2.953 N/A TYR 145.A OH PHE 635.A O no hydrogen 2.910 N/A ALA 146.A N VAL 142.A O no hydrogen 2.911 N/A PHE 147.A N MET 143.A O no hydrogen 2.884 N/A THR 148.A N ALA 144.A O no hydrogen 2.954 N/A THR 148.A OG1 ALA 144.A O no hydrogen 3.218 N/A ILE 149.A N TYR 145.A O no hydrogen 2.908 N/A TRP 150.A N ALA 146.A O no hydrogen 2.940 N/A TRP 150.A NE1 LYS 85.A O no hydrogen 3.136 N/A THR 151.A N PHE 147.A O no hydrogen 2.950 N/A THR 151.A OG1 PHE 147.A O no hydrogen 2.862 N/A CYS 152.A N THR 148.A O no hydrogen 2.911 N/A CYS 152.A SG THR 148.A O no hydrogen 3.301 N/A TYR 153.A N ILE 149.A O no hydrogen 2.915 N/A VAL 154.A N TRP 150.A O no hydrogen 2.980 N/A LEU 155.A N THR 151.A O no hydrogen 2.911 N/A MET 156.A N CYS 152.A O no hydrogen 2.905 N/A LYS 157.A N TYR 153.A O no hydrogen 2.993 N/A GLU 158.A N VAL 154.A O no hydrogen 2.940 N/A TYR 159.A N LEU 155.A O no hydrogen 2.863 N/A GLU 160.A N MET 156.A O no hydrogen 2.980 N/A THR 161.A N LYS 157.A O no hydrogen 2.979 N/A THR 161.A OG1 LYS 157.A O no hydrogen 2.957 N/A ILE 162.A N GLU 158.A O no hydrogen 2.883 N/A ALA 163.A N TYR 159.A O no hydrogen 2.991 N/A ASN 164.A N GLU 160.A O no hydrogen 2.975 N/A MET 165.A N THR 161.A O no hydrogen 2.955 N/A ARG 166.A N ILE 162.A O no hydrogen 2.905 N/A ARG 166.A NE ALA 598.A O no hydrogen 2.670 N/A ARG 166.A NH1 ALA 657.A O no hydrogen 3.167 N/A LEU 167.A N ALA 163.A O no hydrogen 2.972 N/A GLN 168.A N ASN 164.A O no hydrogen 2.976 N/A PHE 169.A N MET 165.A O no hydrogen 2.918 N/A VAL 170.A N ARG 166.A O no hydrogen 2.908 N/A ALA 171.A N LEU 167.A O no hydrogen 2.953 N/A SER 172.A N GLN 168.A O no hydrogen 2.939 N/A SER 172.A OG GLN 168.A O no hydrogen 3.424 N/A SER 172.A OG PHE 169.A O no hydrogen 3.318 N/A ARG 175.A NH1 GLU 673.A OE2 no hydrogen 2.802 N/A ARG 175.A NH1 GLU 677.A OE2 no hydrogen 3.185 N/A ARG 176.A NE ASP 178.A OD1 no hydrogen 3.299 N/A ARG 176.A NH1 GLU 596.A O no hydrogen 2.912 N/A ARG 176.A NH2 ASP 178.A OD1 no hydrogen 3.464 N/A ARG 176.A NH2 GLU 596.A O no hydrogen 2.747 N/A GLN 179.A N ARG 176.A O no hydrogen 3.094 N/A GLN 179.A NE2 GLU 173.A OE2 no hydrogen 3.183 N/A GLN 179.A NE2 ALA 174.A O no hydrogen 2.994 N/A THR 181.A OG1 PRO 177.A O no hydrogen 2.784 N/A THR 181.A OG1 SER 304.A OG no hydrogen 2.617 N/A VAL 182.A N VAL 303.A O no hydrogen 2.644 N/A LEU 183.A N GLU 329.A O no hydrogen 2.937 N/A VAL 184.A N ALA 301.A O no hydrogen 2.859 N/A ARG 185.A N LEU 327.A O no hydrogen 2.633 N/A ARG 185.A NH2 ILE 344.A O no hydrogen 3.289 N/A VAL 187.A N PRO 299.A O no hydrogen 2.890 N/A SER 196.A OG HIS 214.A NE2 no hydrogen 2.533 N/A GLU 197.A N SER 194.A OG no hydrogen 3.230 N/A LEU 198.A N SER 194.A O no hydrogen 3.127 N/A VAL 199.A N VAL 195.A O no hydrogen 2.947 N/A GLU 200.A N SER 196.A O no hydrogen 2.897 N/A HIS 201.A N GLU 197.A O no hydrogen 2.924 N/A PHE 202.A N LEU 198.A O no hydrogen 2.921 N/A PHE 203.A N VAL 199.A O no hydrogen 2.947 N/A LEU 204.A N GLU 200.A O no hydrogen 2.915 N/A LEU 204.A N HIS 201.A O no hydrogen 3.279 N/A VAL 205.A N HIS 201.A O no hydrogen 2.938 N/A ASN 206.A N PHE 202.A O no hydrogen 2.927 N/A ASN 206.A ND2 PHE 202.A O no hydrogen 3.220 N/A TYR 211.A OH GLU 200.A OE1 no hydrogen 2.149 N/A TYR 211.A OH HIS 214.A ND1 no hydrogen 3.217 N/A LEU 212.A N SER 304.A O no hydrogen 3.067 N/A THR 213.A N SER 304.A O no hydrogen 3.294 N/A HIS 214.A NE2 SER 196.A OG no hydrogen 2.533 N/A GLN 215.A N PHE 302.A O no hydrogen 2.852 N/A GLN 215.A NE2 GLN 687.A O no hydrogen 3.399 N/A VAL 217.A N ALA 300.A O no hydrogen 3.214 N/A CYS 218.A SG ALA 296.A O no hydrogen 3.615 N/A ASN 219.A N ALA 296.A O no hydrogen 2.588 N/A ASN 221.A N ASN 219.A OD1 no hydrogen 3.477 N/A ASN 221.A ND2 SER 340.A O no hydrogen 3.209 N/A ALA 224.A N ALA 220.A O no hydrogen 3.090 N/A ASP 225.A N ASN 221.A O no hydrogen 2.898 N/A LEU 226.A N LYS 222.A O no hydrogen 2.905 N/A VAL 227.A N LEU 223.A O no hydrogen 2.920 N/A LYS 228.A N ALA 224.A O no hydrogen 2.905 N/A LYS 229.A N ASP 225.A O no hydrogen 2.904 N/A LYS 230.A N LEU 226.A O no hydrogen 2.902 N/A LYS 231.A N VAL 227.A O no hydrogen 2.920 N/A LYS 232.A N LYS 228.A O no hydrogen 2.950 N/A LEU 233.A N LYS 229.A O no hydrogen 2.891 N/A GLN 234.A N LYS 230.A O no hydrogen 2.854 N/A ASN 235.A N LYS 231.A O no hydrogen 2.951 N/A TRP 236.A N LYS 232.A O no hydrogen 2.939 N/A LEU 237.A N LEU 233.A O no hydrogen 2.863 N/A ASP 238.A N GLN 234.A O no hydrogen 2.904 N/A TYR 239.A N ASN 235.A O no hydrogen 2.931 N/A TYR 240.A N TRP 236.A O no hydrogen 2.976 N/A GLN 241.A N LEU 237.A O no hydrogen 2.847 N/A LEU 242.A N ASP 238.A O no hydrogen 2.920 N/A LYS 243.A N TYR 239.A O no hydrogen 2.913 N/A TYR 244.A N TYR 240.A O no hydrogen 2.943 N/A ALA 245.A N GLN 241.A O no hydrogen 2.856 N/A ARG 246.A N LEU 242.A O no hydrogen 2.923 N/A ASN 247.A N LYS 243.A O no hydrogen 3.396 N/A GLN 250.A N ASN 247.A O no hydrogen 3.223 N/A GLU 270.A N ASP 267.A O no hydrogen 2.934 N/A GLU 270.A N ASP 267.A OD2 no hydrogen 3.424 N/A HIS 271.A N ASP 267.A O no hydrogen 3.410 N/A TYR 272.A N ALA 268.A O no hydrogen 2.872 N/A ILE 273.A N ILE 269.A O no hydrogen 2.917 N/A ALA 274.A N GLU 270.A O no hydrogen 2.916 N/A GLU 275.A N HIS 271.A O no hydrogen 2.906 N/A ILE 276.A N TYR 272.A O no hydrogen 2.879 N/A ASP 277.A N ILE 273.A O no hydrogen 2.934 N/A LYS 278.A N ALA 274.A O no hydrogen 2.930 N/A ILE 279.A N GLU 275.A O no hydrogen 2.891 N/A SER 280.A N ILE 276.A O no hydrogen 2.872 N/A LYS 281.A N ASP 277.A O no hydrogen 2.957 N/A GLU 282.A N LYS 278.A O no hydrogen 2.948 N/A ILE 283.A N ILE 279.A O no hydrogen 2.830 N/A SER 284.A N SER 280.A O no hydrogen 2.958 N/A LYS 285.A N LYS 281.A O no hydrogen 2.957 N/A GLU 286.A N GLU 282.A O no hydrogen 2.850 N/A ARG 287.A N ILE 283.A O no hydrogen 2.877 N/A ARG 287.A NH1 VAL 694.A O no hydrogen 3.119 N/A GLU 288.A N SER 284.A O no hydrogen 3.013 N/A GLU 289.A N LYS 285.A O no hydrogen 2.908 N/A VAL 290.A N GLU 286.A O no hydrogen 2.852 N/A VAL 291.A N ARG 287.A O no hydrogen 2.987 N/A ASN 292.A ND2 GLU 288.A O no hydrogen 3.433 N/A ASP 293.A N VAL 290.A O no hydrogen 3.296 N/A LYS 295.A NZ ASP 293.A OD1 no hydrogen 2.795 N/A LYS 295.A NZ ASP 293.A OD2 no hydrogen 3.223 N/A MET 298.A N VAL 217.A O no hydrogen 3.115 N/A ALA 300.A N MET 298.A O no hydrogen 2.662 N/A ALA 301.A N VAL 184.A O no hydrogen 3.200 N/A PHE 302.A N GLN 215.A O no hydrogen 2.651 N/A VAL 303.A N VAL 182.A O no hydrogen 2.876 N/A SER 304.A N THR 213.A O no hydrogen 2.733 N/A SER 304.A OG THR 181.A OG1 no hydrogen 2.617 N/A PHE 305.A N PHE 180.A O no hydrogen 3.139 N/A LYS 306.A N HIS 210.A O no hydrogen 3.026 N/A ARG 308.A N ASP 670.A OD1 no hydrogen 2.952 N/A ARG 308.A NE GLN 179.A OE1 no hydrogen 2.983 N/A ARG 308.A NH1 ASP 670.A OD1 no hydrogen 2.892 N/A ARG 308.A NH1 GLU 673.A OE1 no hydrogen 2.362 N/A ARG 308.A NH2 GLN 179.A OE1 no hydrogen 3.137 N/A ARG 308.A NH2 GLU 673.A OE1 no hydrogen 2.810 N/A TRP 309.A N ASP 670.A OD2 no hydrogen 2.860 N/A ALA 310.A N THR 307.A OG1 no hydrogen 3.279 N/A ALA 311.A N THR 307.A O no hydrogen 3.269 N/A ALA 312.A N ARG 308.A O no hydrogen 2.883 N/A VAL 313.A N TRP 309.A O no hydrogen 2.916 N/A CYS 314.A N ALA 310.A O no hydrogen 2.895 N/A CYS 314.A SG THR 328.A OG1 no hydrogen 3.476 N/A ALA 315.A N ALA 311.A O no hydrogen 2.894 N/A GLN 316.A N ALA 312.A O no hydrogen 3.243 N/A GLN 316.A NE2 TYR 661.A O no hydrogen 3.523 N/A THR 317.A OG1 VAL 313.A O no hydrogen 2.537 N/A THR 317.A OG1 CYS 314.A O no hydrogen 3.468 N/A GLN 319.A NE2 CYS 314.A O no hydrogen 3.547 N/A THR 324.A N ASN 322.A OD1 no hydrogen 2.669 N/A THR 324.A OG1 ASN 322.A OD1 no hydrogen 2.336 N/A GLN 325.A N ASN 322.A O no hydrogen 3.346 N/A TRP 326.A N ASN 186.A O no hydrogen 3.006 N/A THR 328.A OG1 CYS 314.A O no hydrogen 3.163 N/A GLU 329.A N LEU 183.A O no hydrogen 3.293 N/A ALA 331.A N THR 181.A O no hydrogen 3.410 N/A ARG 335.A NE GLU 333.A OE2 no hydrogen 2.406 N/A ASP 336.A N GLU 333.A O no hydrogen 2.574 N/A VAL 337.A N GLU 333.A O no hydrogen 3.284 N/A ASN 341.A N PHE 338.A O no hydrogen 3.170 N/A ASN 341.A ND2 LYS 428.A O no hydrogen 3.173 N/A LEU 342.A N TRP 339.A O no hydrogen 3.292 N/A ILE 344.A N ASN 341.A O no hydrogen 3.430 N/A SER 348.A N PRO 345.A O no hydrogen 3.051 N/A SER 348.A OG PRO 345.A O no hydrogen 3.232 N/A ARG 353.A N LEU 349.A O no hydrogen 2.865 N/A ARG 353.A NH1 LEU 349.A O no hydrogen 3.219 N/A LEU 354.A N THR 350.A O no hydrogen 2.980 N/A ILE 355.A N VAL 351.A O no hydrogen 2.959 N/A MET 356.A N ARG 352.A O no hydrogen 2.890 N/A HIS 357.A N ARG 353.A O no hydrogen 2.989 N/A VAL 358.A N LEU 354.A O no hydrogen 2.942 N/A ALA 359.A N ILE 355.A O no hydrogen 2.896 N/A PHE 360.A N MET 356.A O no hydrogen 2.793 N/A PHE 361.A N HIS 357.A O no hydrogen 2.958 N/A PHE 362.A N VAL 358.A O no hydrogen 2.971 N/A LEU 363.A N ALA 359.A O no hydrogen 2.866 N/A THR 364.A N PHE 360.A O no hydrogen 2.873 N/A PHE 365.A N PHE 361.A O no hydrogen 2.923 N/A PHE 366.A N PHE 362.A O no hydrogen 2.874 N/A PHE 367.A N LEU 363.A O no hydrogen 2.902 N/A ILE 368.A N PHE 365.A O no hydrogen 3.121 N/A ILE 371.A N PHE 367.A O no hydrogen 3.521 N/A ALA 372.A N ILE 368.A O no hydrogen 2.294 N/A PHE 373.A N VAL 369.A O no hydrogen 2.874 N/A VAL 374.A N PRO 370.A O no hydrogen 2.838 N/A GLN 375.A N ILE 371.A O no hydrogen 2.883 N/A SER 376.A N ALA 372.A O no hydrogen 2.841 N/A LEU 377.A N PHE 373.A O no hydrogen 2.900 N/A THR 379.A N GLN 375.A O no hydrogen 2.626 N/A THR 379.A OG1 GLN 375.A O no hydrogen 3.060 N/A LYS 391.A NZ ALA 387.A O no hydrogen 2.705 N/A PHE 398.A N ASP 396.A OD2 no hydrogen 3.062 N/A LYS 400.A N ASP 396.A O no hydrogen 2.816 N/A SER 401.A N LYS 397.A O no hydrogen 2.898 N/A SER 401.A OG LYS 397.A O no hydrogen 3.532 N/A SER 401.A OG PHE 398.A O no hydrogen 2.593 N/A VAL 402.A N PHE 398.A O no hydrogen 2.853 N/A ILE 403.A N MET 399.A O no hydrogen 2.904 N/A GLN 404.A N LYS 400.A O no hydrogen 2.879 N/A GLN 404.A NE2 THR 379.A O no hydrogen 3.183 N/A GLY 405.A N SER 401.A O no hydrogen 2.862 N/A PHE 406.A N VAL 402.A O no hydrogen 2.651 N/A LEU 407.A N VAL 402.A O no hydrogen 3.197 N/A ILE 410.A N PHE 406.A O no hydrogen 3.193 N/A ALA 411.A N LEU 407.A O no hydrogen 2.861 N/A LEU 412.A N PRO 408.A O no hydrogen 2.913 N/A LYS 413.A N GLY 409.A O no hydrogen 2.913 N/A LEU 414.A N ILE 410.A O no hydrogen 2.874 N/A PHE 415.A N ALA 411.A O no hydrogen 2.895 N/A LEU 416.A N LYS 413.A O no hydrogen 3.043 N/A ALA 417.A N LEU 414.A O no hydrogen 3.272 N/A ILE 422.A N PHE 418.A O no hydrogen 3.022 N/A LEU 423.A N LEU 419.A O no hydrogen 2.855 N/A MET 424.A N PRO 420.A O no hydrogen 2.878 N/A ILE 425.A N SER 421.A O no hydrogen 2.889 N/A MET 426.A N ILE 422.A O no hydrogen 2.896 N/A SER 427.A N LEU 423.A O no hydrogen 2.898 N/A LYS 428.A N MET 424.A O no hydrogen 2.811 N/A PHE 429.A N ILE 425.A O no hydrogen 2.860 N/A THR 433.A OG1 THR 433.A O no hydrogen 2.473 N/A SER 434.A OG PHE 432.A O no hydrogen 3.224 N/A ILE 435.A N ASP 336.A O no hydrogen 2.963 N/A ILE 435.A N ASP 336.A OD1 no hydrogen 2.882 N/A SER 436.A N ASP 336.A OD1 no hydrogen 3.312 N/A SER 437.A N SER 434.A OG no hydrogen 3.350 N/A LEU 438.A N SER 434.A O no hydrogen 3.082 N/A GLU 439.A N ILE 435.A O no hydrogen 2.896 N/A ARG 440.A N SER 436.A O no hydrogen 2.922 N/A ARG 440.A NE ASP 604.A OD2 no hydrogen 3.118 N/A ARG 440.A NH2 ASP 604.A OD2 no hydrogen 3.362 N/A ARG 441.A N SER 437.A O no hydrogen 2.895 N/A ALA 442.A N LEU 438.A O no hydrogen 2.908 N/A ALA 443.A N GLU 439.A O no hydrogen 2.892 N/A PHE 444.A N ARG 440.A O no hydrogen 2.904 N/A ARG 445.A N ARG 441.A O no hydrogen 2.925 N/A TYR 446.A N ALA 442.A O no hydrogen 2.865 N/A TYR 447.A N ALA 443.A O no hydrogen 2.877 N/A ILE 448.A N PHE 444.A O no hydrogen 2.974 N/A PHE 449.A N ARG 445.A O no hydrogen 2.875 N/A ASN 450.A N TYR 446.A O no hydrogen 2.831 N/A LEU 451.A N TYR 447.A O no hydrogen 2.901 N/A VAL 452.A N ILE 448.A O no hydrogen 2.933 N/A ASN 453.A N PHE 449.A O no hydrogen 2.856 N/A PHE 455.A N ASN 450.A O no hydrogen 3.357 N/A LEU 456.A N LEU 451.A O no hydrogen 3.291 N/A ALA 457.A N VAL 452.A O no hydrogen 3.274 N/A ALA 457.A N ASN 453.A O no hydrogen 2.874 N/A SER 458.A OG VAL 454.A O no hydrogen 2.320 N/A VAL 459.A N PHE 455.A O no hydrogen 2.930 N/A ILE 460.A N LEU 456.A O no hydrogen 2.894 N/A GLY 462.A N VAL 459.A O no hydrogen 3.307 N/A ALA 463.A N VAL 459.A O no hydrogen 2.919 N/A ALA 463.A N ILE 460.A O no hydrogen 3.221 N/A ALA 464.A N ILE 460.A O no hydrogen 2.726 N/A GLU 466.A N ALA 463.A O no hydrogen 3.309 N/A GLN 467.A N ALA 463.A O no hydrogen 3.060 N/A GLN 467.A NE2 THR 482.A OG1 no hydrogen 2.392 N/A ASN 469.A ND2 GLU 466.A O no hydrogen 3.457 N/A SER 470.A OG SER 470.A O no hydrogen 2.505 N/A ASN 477.A N SER 475.A O no hydrogen 2.968 N/A LYS 481.A N ILE 479.A O no hydrogen 2.607 N/A LYS 481.A NZ ASN 477.A O no hydrogen 3.123 N/A ALA 486.A N ILE 483.A O no hydrogen 2.916 N/A ILE 487.A N ILE 483.A O no hydrogen 2.953 N/A LYS 490.A NZ GLN 375.A OE1 no hydrogen 2.743 N/A ALA 491.A N ILE 487.A O no hydrogen 2.881 N/A THR 492.A N PRO 488.A O no hydrogen 2.966 N/A THR 492.A OG1 ASP 121.A OD1 no hydrogen 2.235 N/A PHE 493.A N MET 489.A O no hydrogen 3.050 N/A PHE 494.A N LYS 490.A O no hydrogen 2.788 N/A ILE 495.A N ALA 491.A O no hydrogen 2.906 N/A THR 496.A OG1 GLY 405.A O no hydrogen 3.239 N/A TYR 497.A N PHE 493.A O no hydrogen 3.010 N/A ILE 498.A N PHE 494.A O no hydrogen 2.829 N/A MET 499.A N ILE 495.A O no hydrogen 2.938 N/A VAL 500.A N THR 496.A O no hydrogen 2.935 N/A ASP 501.A N TYR 497.A O no hydrogen 2.939 N/A TRP 503.A NE1 PHE 571.A O no hydrogen 3.187 N/A ALA 504.A N MET 499.A O no hydrogen 3.384 N/A GLY 505.A N VAL 500.A O no hydrogen 3.073 N/A VAL 506.A N GLY 502.A O no hydrogen 2.817 N/A ALA 507.A N TRP 503.A O no hydrogen 2.914 N/A GLY 508.A N ALA 504.A O no hydrogen 2.901 N/A GLU 509.A N VAL 506.A O no hydrogen 3.033 N/A ILE 510.A N VAL 506.A O no hydrogen 3.367 N/A LEU 511.A N GLY 508.A O no hydrogen 3.238 N/A MET 512.A N GLU 509.A O no hydrogen 3.213 N/A LEU 516.A N MET 512.A O no hydrogen 2.961 N/A ILE 517.A N LEU 513.A O no hydrogen 2.921 N/A MET 518.A N LYS 514.A O no hydrogen 2.921 N/A PHE 519.A N PRO 515.A O no hydrogen 2.870 N/A HIS 520.A N LEU 516.A O no hydrogen 2.916 N/A LEU 521.A N ILE 517.A O no hydrogen 2.922 N/A LYS 522.A N MET 518.A O no hydrogen 2.914 N/A LYS 522.A NZ ALA 536.A O no hydrogen 3.183 N/A ASN 523.A N PHE 519.A O no hydrogen 2.859 N/A ALA 524.A N HIS 520.A O no hydrogen 2.912 N/A PHE 525.A N LEU 521.A O no hydrogen 2.936 N/A LEU 526.A N LYS 522.A O no hydrogen 2.857 N/A THR 529.A OG1 LYS 528.A O no hydrogen 2.355 N/A LYS 531.A NZ ASP 532.A OD1 no hydrogen 3.409 N/A ASP 532.A N THR 529.A O no hydrogen 3.255 N/A ARG 533.A N ASP 530.A O no hydrogen 3.482 N/A ALA 536.A N ASP 532.A O no hydrogen 2.897 N/A MET 537.A N GLU 534.A O no hydrogen 3.172 N/A THR 546.A N GLY 543.A O no hydrogen 3.339 N/A GLY 547.A N GLY 543.A O no hydrogen 2.905 N/A GLY 547.A N PHE 544.A O no hydrogen 3.323 N/A GLU 548.A N PHE 544.A O no hydrogen 2.933 N/A ARG 550.A NH2 TYR 583.A OH no hydrogen 2.917 N/A GLN 552.A N GLU 548.A O no hydrogen 2.943 N/A LEU 553.A N PRO 549.A O no hydrogen 2.853 N/A TYR 554.A N ARG 550.A O no hydrogen 2.986 N/A PHE 555.A N ILE 551.A O no hydrogen 2.844 N/A LEU 556.A N GLN 552.A O no hydrogen 2.943 N/A LEU 557.A N LEU 553.A O no hydrogen 2.871 N/A GLY 558.A N TYR 554.A O no hydrogen 2.928 N/A LEU 559.A N PHE 555.A O no hydrogen 2.905 N/A VAL 560.A N LEU 556.A O no hydrogen 2.853 N/A TYR 561.A N LEU 557.A O no hydrogen 2.978 N/A TYR 561.A OH ILE 487.A O no hydrogen 3.134 N/A THR 565.A N TYR 561.A O no hydrogen 2.872 N/A LEU 568.A N THR 565.A O no hydrogen 3.329 N/A PHE 571.A N LEU 568.A O no hydrogen 3.182 N/A LEU 573.A N LEU 569.A O no hydrogen 2.900 N/A VAL 574.A N PRO 570.A O no hydrogen 2.926 N/A PHE 575.A N PHE 571.A O no hydrogen 2.930 N/A PHE 576.A N ILE 572.A O no hydrogen 2.896 N/A ALA 577.A N LEU 573.A O no hydrogen 2.954 N/A LEU 578.A N VAL 574.A O no hydrogen 2.944 N/A ALA 579.A N PHE 575.A O no hydrogen 2.864 N/A TYR 580.A N PHE 576.A O no hydrogen 2.884 N/A ILE 581.A N ALA 577.A O no hydrogen 2.995 N/A VAL 582.A N LEU 578.A O no hydrogen 2.932 N/A TYR 583.A N ALA 579.A O no hydrogen 2.885 N/A ARG 584.A N TYR 580.A O no hydrogen 2.878 N/A ARG 584.A NE ALA 57.A O no hydrogen 2.614 N/A ARG 584.A NH2 LEU 58.A O no hydrogen 3.550 N/A ARG 584.A NH2 LYS 59.A O no hydrogen 3.173 N/A HIS 585.A N ILE 581.A O no hydrogen 3.009 N/A GLN 586.A N VAL 582.A O no hydrogen 2.932 N/A ILE 587.A N TYR 583.A O no hydrogen 2.857 N/A ILE 588.A N ARG 584.A O no hydrogen 2.938 N/A ASN 589.A N HIS 585.A O no hydrogen 2.961 N/A ASN 589.A ND2 HIS 585.A NE2 no hydrogen 2.951 N/A VAL 590.A N GLN 586.A O no hydrogen 2.667 N/A GLN 593.A NE2 GLU 596.A OE1 no hydrogen 2.824 N/A TYR 595.A OH GLU 439.A OE1 no hydrogen 2.393 N/A SER 597.A N ASP 72.A OD2 no hydrogen 3.243 N/A ALA 599.A N ASP 72.A OD1 no hydrogen 2.956 N/A TRP 602.A N ALA 599.A O no hydrogen 3.474 N/A VAL 605.A N PHE 601.A O no hydrogen 3.315 N/A HIS 606.A N TRP 602.A O no hydrogen 2.919 N/A HIS 606.A NE2 HIS 647.A ND1 no hydrogen 3.167 N/A GLY 607.A N PRO 603.A O no hydrogen 2.912 N/A ARG 608.A N ASP 604.A O no hydrogen 2.899 N/A ARG 608.A NH1 GLU 548.A OE2 no hydrogen 3.568 N/A VAL 609.A N VAL 605.A O no hydrogen 2.956 N/A ILE 610.A N HIS 606.A O no hydrogen 2.933 N/A ALA 611.A N GLY 607.A O no hydrogen 2.887 N/A ALA 612.A N ARG 608.A O no hydrogen 2.885 N/A LEU 613.A N VAL 609.A O no hydrogen 2.942 N/A VAL 614.A N ILE 610.A O no hydrogen 2.942 N/A ILE 615.A N ALA 611.A O no hydrogen 2.883 N/A SER 616.A N ALA 612.A O no hydrogen 2.885 N/A SER 616.A OG LEU 559.A O no hydrogen 2.714 N/A GLN 617.A N LEU 613.A O no hydrogen 2.950 N/A GLN 617.A NE2 THR 148.A OG1 no hydrogen 2.678 N/A GLN 617.A NE2 THR 643.A OG1 no hydrogen 2.868 N/A LEU 618.A N VAL 614.A O no hydrogen 2.928 N/A LEU 619.A N ILE 615.A O no hydrogen 2.911 N/A LEU 620.A N SER 616.A O no hydrogen 2.905 N/A MET 621.A N GLN 617.A O no hydrogen 2.915 N/A GLY 622.A N LEU 618.A O no hydrogen 2.944 N/A LEU 623.A N LEU 619.A O no hydrogen 2.841 N/A LEU 624.A N LEU 620.A O no hydrogen 2.893 N/A GLY 625.A N MET 621.A O no hydrogen 3.259 N/A THR 626.A N LEU 624.A O no hydrogen 2.818 N/A THR 626.A OG1 SER 128.A O no hydrogen 2.684 N/A THR 626.A OG1 LEU 623.A O no hydrogen 2.746 N/A THR 626.A OG1 LEU 624.A O no hydrogen 3.451 N/A ALA 630.A N HIS 628.A ND1 no hydrogen 3.388 N/A ALA 632.A N ALA 629.A O no hydrogen 3.027 N/A PHE 635.A N ALA 632.A O no hydrogen 2.978 N/A LEU 636.A N ALA 632.A O no hydrogen 2.667 N/A ILE 637.A N ALA 633.A O no hydrogen 2.965 N/A LEU 642.A N ALA 638.A O no hydrogen 2.891 N/A THR 643.A N LEU 639.A O no hydrogen 2.880 N/A THR 643.A OG1 LEU 639.A O no hydrogen 2.734 N/A ILE 644.A N PRO 640.A O no hydrogen 2.918 N/A GLY 645.A N VAL 641.A O no hydrogen 2.925 N/A PHE 646.A N LEU 642.A O no hydrogen 2.887 N/A HIS 647.A N THR 643.A O no hydrogen 2.899 N/A HIS 647.A ND1 HIS 606.A NE2 no hydrogen 3.167 N/A HIS 648.A N ILE 644.A O no hydrogen 2.887 N/A PHE 649.A N GLY 645.A O no hydrogen 2.938 N/A CYS 650.A N PHE 646.A O no hydrogen 2.918 N/A CYS 650.A SG PHE 646.A O no hydrogen 3.555 N/A LYS 651.A N HIS 647.A O no hydrogen 2.863 N/A GLY 652.A N HIS 648.A O no hydrogen 2.949 N/A ARG 653.A N PHE 649.A O no hydrogen 2.919 N/A ARG 653.A NH1 ARG 653.A O no hydrogen 2.608 N/A TYR 654.A N CYS 650.A O no hydrogen 2.897 N/A TYR 654.A N LYS 651.A O no hydrogen 3.334 N/A TYR 654.A OH GLU 160.A OE2 no hydrogen 3.141 N/A GLU 655.A N LYS 651.A O no hydrogen 2.935 N/A ALA 657.A N TYR 654.A O no hydrogen 3.272 N/A PHE 658.A N GLU 655.A O no hydrogen 2.723 N/A ILE 659.A N GLU 655.A O no hydrogen 2.924 N/A ARG 660.A N PRO 656.A O no hydrogen 2.917 N/A ALA 666.A N PRO 662.A O no hydrogen 3.335 N/A MET 667.A N LEU 663.A O no hydrogen 2.904 N/A MET 668.A N GLN 664.A O no hydrogen 2.897 N/A LYS 669.A N GLU 665.A O no hydrogen 2.922 N/A LYS 669.A NZ GLU 173.A O no hydrogen 2.859 N/A LYS 669.A NZ GLN 179.A OE1 no hydrogen 3.199 N/A ASP 670.A N ALA 666.A O no hydrogen 2.907 N/A THR 671.A N MET 667.A O no hydrogen 2.888 N/A THR 671.A OG1 MET 667.A O no hydrogen 2.894 N/A LEU 672.A N MET 668.A O no hydrogen 2.924 N/A GLU 673.A N LYS 669.A O no hydrogen 2.923 N/A THR 674.A N ASP 670.A O no hydrogen 2.904 N/A ALA 675.A N THR 671.A O no hydrogen 2.922 N/A ARG 676.A N LEU 672.A O no hydrogen 2.902 N/A GLU 677.A N GLU 673.A O no hydrogen 2.931 N/A TYR 685.A N LEU 682.A O no hydrogen 3.084 N/A LEU 686.A N LEU 682.A O no hydrogen 2.917 N/A TYR 690.A OH PRO 332.A O no hydrogen 2.585 N/A VAL 694.A N HIS 692.A ND1 no hydrogen 3.166 N/A