Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8gxx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N VAL 64.A O no hydrogen 2.629 N/A VAL 5.A N LYS 17.A O no hydrogen 3.244 N/A ILE 6.A N GLU 62.A O no hydrogen 2.790 N/A GLN 7.A N ILE 15.A O no hydrogen 2.610 N/A LYS 8.A N ILE 15.A O no hydrogen 3.357 N/A ALA 10.A N ALA 13.A O no hydrogen 2.926 N/A ALA 13.A N ALA 10.A O no hydrogen 3.031 N/A VAL 14.A N VAL 49.A O no hydrogen 3.064 N/A ILE 15.A N LYS 8.A O no hydrogen 2.992 N/A ALA 16.A N ALA 47.A O no hydrogen 3.011 N/A LYS 17.A N VAL 5.A O no hydrogen 3.079 N/A MET 19.A N ASP 45.A O no hydrogen 2.858 N/A LEU 20.A N ASP 45.A OD1 no hydrogen 3.111 N/A ALA 22.A N MET 19.A O no hydrogen 3.475 N/A TYR 25.A N ILE 39.A O no hydrogen 2.763 N/A ASP 26.A N ARG 23.A O no hydrogen 3.450 N/A ILE 27.A N LEU 69.A O no hydrogen 2.901 N/A CYS 28.A N GLY 37.A O no hydrogen 2.775 N/A LYS 29.A N VAL 65.A O no hydrogen 2.728 N/A VAL 30.A N LEU 35.A O no hydrogen 2.705 N/A GLY 31.A N PRO 63.A O no hydrogen 2.882 N/A GLY 34.A N GLY 31.A O no hydrogen 3.218 N/A LEU 35.A N VAL 30.A O no hydrogen 2.943 N/A GLY 37.A N CYS 28.A O no hydrogen 2.631 N/A GLU 38.A N GLN 50.A O no hydrogen 2.983 N/A ILE 39.A N ASP 26.A O no hydrogen 3.303 N/A ILE 40.A N PHE 48.A O no hydrogen 3.025 N/A ARG 41.A NH2 LEU 341.A O no hydrogen 3.032 N/A ASP 43.A N THR 46.A O no hydrogen 2.894 N/A THR 46.A N ASP 43.A O no hydrogen 3.040 N/A THR 46.A OG1 ASP 43.A O no hydrogen 2.579 N/A ALA 47.A N ALA 16.A O no hydrogen 2.937 N/A PHE 48.A N ARG 41.A O no hydrogen 2.932 N/A VAL 49.A N VAL 14.A O no hydrogen 2.669 N/A GLN 50.A N GLU 38.A O no hydrogen 2.542 N/A VAL 51.A N PRO 12.A O no hydrogen 3.182 N/A TYR 52.A N VAL 36.A O no hydrogen 2.960 N/A THR 55.A OG1 GLY 11.A O no hydrogen 2.444 N/A SER 56.A N ASP 54.A OD1 no hydrogen 3.061 N/A LEU 58.A N THR 55.A O no hydrogen 3.182 N/A LYS 59.A N GLU 62.A OE2 no hydrogen 2.935 N/A GLY 61.A N ILE 6.A O no hydrogen 2.991 N/A GLU 62.A N LYS 59.A O no hydrogen 3.379 N/A VAL 64.A N GLY 4.A O no hydrogen 2.981 N/A VAL 65.A N LYS 29.A O no hydrogen 2.870 N/A SER 66.A N ILE 2.A O no hydrogen 2.973 N/A THR 67.A N ILE 27.A O no hydrogen 2.688 N/A THR 67.A OG1 ILE 27.A O no hydrogen 2.574 N/A THR 67.A OG1 LEU 69.A O no hydrogen 3.497 N/A VAL 73.A N TRP 187.A O no hydrogen 3.158 N/A GLU 74.A N GLN 88.A OE1 no hydrogen 3.066 N/A LEU 75.A N HIS 185.A O no hydrogen 2.859 N/A GLY 78.A N GLU 140.A OE2 no hydrogen 2.750 N/A ASN 81.A N THR 285.A O no hydrogen 3.027 N/A TYR 84.A N LEU 287.A O no hydrogen 2.703 N/A TYR 84.A OH ALA 110.A O no hydrogen 2.806 N/A ASP 85.A N ARG 89.A O no hydrogen 2.860 N/A GLY 86.A N ASP 85.A OD1 no hydrogen 2.570 N/A GLN 88.A N ASP 85.A O no hydrogen 3.117 N/A GLN 88.A NE2 GLU 74.A O no hydrogen 3.159 N/A LEU 91.A N ILE 83.A O no hydrogen 3.475 N/A ARG 95.A N LEU 91.A O no hydrogen 2.938 N/A GLU 96.A N ARG 93.A O no hydrogen 3.017 N/A LYS 97.A N ARG 93.A O no hydrogen 2.945 N/A LYS 97.A NZ VAL 107.A O no hydrogen 2.847 N/A THR 98.A OG1 ILE 94.A O no hydrogen 3.287 N/A ARG 104.A NE GLU 33.A OE1 no hydrogen 2.966 N/A ARG 104.A NH1 SER 56.A O no hydrogen 2.391 N/A ARG 104.A NH2 GLU 33.A OE1 no hydrogen 3.261 N/A ARG 104.A NH2 GLU 33.A OE2 no hydrogen 3.449 N/A ARG 104.A NH2 SER 56.A O no hydrogen 2.708 N/A GLY 105.A N GLU 53.A OE1 no hydrogen 2.430 N/A ARG 113.A NH1 LEU 111.A O no hydrogen 2.776 N/A ARG 113.A NH2 GLU 74.A OE1 no hydrogen 3.388 N/A GLU 114.A N ASP 112.A OD1 no hydrogen 2.784 N/A LYS 116.A NZ GLU 165.A O no hydrogen 3.309 N/A TRP 117.A N TYR 166.A O no hydrogen 2.703 N/A TRP 119.A N GLY 164.A O no hydrogen 2.828 N/A TRP 119.A NE1 LYS 161.A O no hydrogen 3.013 N/A THR 120.A N THR 137.A O no hydrogen 3.265 N/A MET 122.A N LEU 135.A O no hydrogen 2.860 N/A LYS 124.A N ASP 127.A OD2 no hydrogen 2.678 N/A LYS 124.A NZ ASP 127.A OD2 no hydrogen 3.161 N/A GLY 126.A N VAL 157.A O no hydrogen 3.068 N/A ASP 127.A N LYS 124.A O no hydrogen 3.134 N/A VAL 129.A N GLY 155.A O no hydrogen 2.935 N/A GLY 132.A N VAL 149.A O no hydrogen 3.308 N/A MET 133.A N ARG 130.A O no hydrogen 3.147 N/A LEU 135.A N ILE 147.A O no hydrogen 2.797 N/A THR 137.A N THR 120.A O no hydrogen 3.335 N/A VAL 138.A N HIS 145.A O no hydrogen 2.723 N/A GLU 140.A N PHE 143.A O no hydrogen 3.322 N/A PHE 143.A N GLU 140.A O no hydrogen 2.716 N/A HIS 145.A ND1 GLU 140.A OE1 no hydrogen 2.505 N/A HIS 145.A NE2 TYR 312.A OH no hydrogen 3.104 N/A ILE 147.A N GLY 136.A O no hydrogen 2.850 N/A VAL 149.A N MET 133.A O no hydrogen 2.898 N/A VAL 153.A N PRO 150.A O no hydrogen 3.034 N/A GLY 155.A N VAL 129.A O no hydrogen 2.972 N/A VAL 157.A N ASP 127.A O no hydrogen 2.847 N/A LYS 158.A N VAL 174.A O no hydrogen 2.719 N/A GLU 159.A N VAL 174.A O no hydrogen 3.320 N/A LYS 161.A N VAL 172.A O no hydrogen 2.821 N/A GLY 164.A N TRP 119.A O no hydrogen 3.183 N/A TYR 166.A N TRP 117.A O no hydrogen 3.081 N/A TYR 166.A OH PRO 162.A O no hydrogen 2.912 N/A GLU 170.A N THR 167.A O no hydrogen 3.251 N/A VAL 174.A N GLU 159.A O no hydrogen 2.948 N/A LEU 175.A N THR 179.A O no hydrogen 2.936 N/A GLU 176.A N ARG 156.A O no hydrogen 2.644 N/A GLY 178.A N LEU 175.A O no hydrogen 3.068 N/A LEU 181.A N VAL 173.A O no hydrogen 3.062 N/A LYS 182.A NZ GLU 169.A OE1 no hydrogen 2.708 N/A TYR 184.A OH GLU 169.A OE2 no hydrogen 2.560 N/A HIS 185.A N LEU 75.A O no hydrogen 3.090 N/A TRP 187.A N VAL 73.A O no hydrogen 3.122 N/A TRP 187.A NE1 ARG 191.A O no hydrogen 3.015 N/A VAL 189.A N LEU 71.A O no hydrogen 2.967 N/A ARG 190.A NH2 GLU 38.A OE1 no hydrogen 3.252 N/A ARG 190.A NH2 GLU 300.A OE2 no hydrogen 2.641 N/A ARG 193.A NE ASP 315.A OD2 no hydrogen 2.527 N/A ARG 193.A NH1 HIS 185.A NE2 no hydrogen 3.173 N/A ARG 193.A NH2 ASP 315.A OD2 no hydrogen 2.884 N/A GLN 196.A N ILE 369.A O no hydrogen 2.973 N/A ARG 197.A N ILE 369.A O no hydrogen 3.434 N/A LYS 198.A NZ ALA 365.A O no hydrogen 3.248 N/A LEU 199.A N LYS 367.A O no hydrogen 2.685 N/A THR 203.A OG1 ASN 202.A OD1 no hydrogen 2.652 N/A PHE 205.A N VAL 218.A O no hydrogen 2.634 N/A THR 207.A N ASP 213.A OD1 no hydrogen 2.816 N/A THR 207.A N ASP 213.A OD2 no hydrogen 3.114 N/A THR 207.A OG1 ASP 213.A OD1 no hydrogen 2.695 N/A THR 207.A OG1 ASP 213.A OD2 no hydrogen 3.247 N/A GLY 208.A N ASP 213.A OD2 no hydrogen 2.763 N/A MET 209.A N THR 207.A OG1 no hydrogen 3.257 N/A ARG 210.A N GLN 497.A OE1 no hydrogen 3.020 N/A ARG 210.A NE PHE 494.A O no hydrogen 2.600 N/A ARG 210.A NH1 ASP 504.A OD1 no hydrogen 3.028 N/A ARG 210.A NH2 PHE 494.A O no hydrogen 3.352 N/A ARG 210.A NH2 ASP 504.A OD1 no hydrogen 3.518 N/A ASP 213.A N MET 209.A O no hydrogen 2.953 N/A VAL 214.A N ARG 210.A O no hydrogen 2.850 N/A LEU 215.A N ILE 211.A O no hydrogen 2.920 N/A PHE 216.A N ILE 211.A O no hydrogen 3.301 N/A PHE 216.A N LEU 212.A O no hydrogen 3.271 N/A MET 220.A N THR 203.A O no hydrogen 2.853 N/A GLY 222.A N ALA 219.A O no hydrogen 3.157 N/A ALA 224.A N ILE 380.A O no hydrogen 2.824 N/A ALA 225.A N ALA 405.A O no hydrogen 3.080 N/A ILE 226.A N GLY 382.A O no hydrogen 3.107 N/A GLY 228.A N VAL 384.A O no hydrogen 3.204 N/A ALA 232.A N PRO 229.A O no hydrogen 3.214 N/A LYS 234.A NZ GLY 228.A O no hydrogen 3.010 N/A THR 237.A N GLY 233.A O no hydrogen 3.188 N/A THR 237.A OG1 GLY 233.A O no hydrogen 2.781 N/A GLN 238.A N LYS 234.A O no hydrogen 2.918 N/A GLN 238.A NE2 ALA 324.A O no hydrogen 3.066 N/A GLN 239.A N SER 235.A O no hydrogen 2.886 N/A GLN 239.A NE2 GLU 261.A OE1 no hydrogen 3.283 N/A SER 240.A N VAL 236.A O no hydrogen 2.877 N/A SER 240.A OG VAL 236.A O no hydrogen 2.743 N/A LEU 241.A N THR 237.A O no hydrogen 2.923 N/A ALA 242.A N GLN 238.A O no hydrogen 2.930 N/A LYS 243.A N GLN 239.A O no hydrogen 2.860 N/A TRP 244.A N SER 240.A O no hydrogen 2.915 N/A SER 245.A N LEU 241.A O no hydrogen 2.801 N/A SER 245.A OG LEU 241.A O no hydrogen 2.465 N/A ASP 248.A N SER 319.A O no hydrogen 2.833 N/A ASP 248.A N SER 319.A OG no hydrogen 3.420 N/A VAL 249.A N SER 319.A O no hydrogen 3.500 N/A VAL 250.A N ARG 284.A O no hydrogen 2.801 N/A VAL 251.A N ALA 321.A O no hydrogen 2.769 N/A TYR 252.A N VAL 286.A O no hydrogen 2.929 N/A VAL 253.A N MET 323.A O no hydrogen 2.769 N/A GLY 254.A N ILE 288.A O no hydrogen 2.616 N/A CYS 255.A SG ARG 299.A O no hydrogen 4.009 N/A CYS 255.A SG SER 326.A O no hydrogen 3.290 N/A GLY 256.A N ASN 290.A O no hydrogen 2.733 N/A MET 262.A N GLY 259.A O no hydrogen 2.830 N/A THR 263.A N GLY 259.A O no hydrogen 2.946 N/A THR 263.A OG1 ASN 260.A O no hydrogen 2.758 N/A THR 263.A OG1 ASP 264.A OD1 no hydrogen 3.168 N/A ASP 264.A N ASN 260.A O no hydrogen 2.897 N/A LEU 266.A N MET 262.A O no hydrogen 2.939 N/A VAL 267.A N THR 263.A O no hydrogen 2.866 N/A GLU 268.A N ASP 264.A O no hydrogen 2.900 N/A GLU 268.A N VAL 265.A O no hydrogen 3.272 N/A PHE 269.A N VAL 265.A O no hydrogen 2.933 N/A GLU 271.A N GLU 268.A O no hydrogen 2.883 N/A LEU 272.A N GLU 268.A O no hydrogen 3.338 N/A LEU 272.A N PHE 269.A O no hydrogen 3.047 N/A ASP 274.A N GLY 279.A O no hydrogen 2.798 N/A LYS 276.A N ASP 274.A OD1 no hydrogen 2.908 N/A LYS 276.A NZ THR 277.A OG1 no hydrogen 3.012 N/A THR 277.A N ASP 274.A OD1 no hydrogen 3.194 N/A THR 277.A OG1 ASP 274.A OD2 no hydrogen 3.092 N/A GLY 278.A N ASP 274.A O no hydrogen 3.189 N/A LEU 281.A N LEU 272.A O no hydrogen 3.038 N/A HIS 283.A N PRO 280.A O no hydrogen 3.192 N/A ARG 284.A N LEU 281.A O no hydrogen 3.431 N/A ARG 284.A NH1 SER 245.A O no hydrogen 2.854 N/A ARG 284.A NH2 ALA 242.A O no hydrogen 2.430 N/A ARG 284.A NH2 SER 245.A O no hydrogen 3.255 N/A THR 285.A N MET 282.A O no hydrogen 3.326 N/A THR 285.A OG1 LEU 281.A O no hydrogen 3.009 N/A VAL 286.A N VAL 250.A O no hydrogen 2.882 N/A LEU 287.A N GLY 82.A O no hydrogen 3.129 N/A ILE 288.A N TYR 252.A O no hydrogen 2.881 N/A ALA 289.A N TYR 84.A O no hydrogen 2.775 N/A ASN 290.A N GLY 254.A O no hydrogen 2.923 N/A ASN 290.A ND2 PRO 295.A O no hydrogen 3.367 N/A THR 291.A OG1 ASN 293.A OD1 no hydrogen 2.928 N/A ASN 293.A N ASN 293.A OD1 no hydrogen 2.540 N/A MET 294.A N THR 291.A O no hydrogen 3.322 N/A ALA 298.A N PRO 295.A O no hydrogen 3.256 N/A ARG 299.A N VAL 296.A O no hydrogen 3.279 N/A ARG 299.A NH1 ARG 329.A O no hydrogen 3.449 N/A SER 302.A N ALA 298.A O no hydrogen 2.870 N/A SER 302.A OG ARG 299.A O no hydrogen 2.513 N/A ILE 303.A N ARG 299.A O no hydrogen 3.010 N/A TYR 304.A N GLU 300.A O no hydrogen 3.008 N/A VAL 305.A N ALA 301.A O no hydrogen 2.843 N/A GLY 306.A N SER 302.A O no hydrogen 2.938 N/A VAL 307.A N ILE 303.A O no hydrogen 2.995 N/A THR 308.A N TYR 304.A O no hydrogen 2.938 N/A THR 308.A OG1 TYR 304.A O no hydrogen 2.795 N/A ILE 309.A N VAL 305.A O no hydrogen 2.972 N/A ALA 310.A N GLY 306.A O no hydrogen 2.968 N/A GLU 311.A N VAL 307.A O no hydrogen 2.927 N/A TYR 312.A N THR 308.A O no hydrogen 2.925 N/A TYR 312.A OH HIS 145.A NE2 no hydrogen 3.104 N/A PHE 313.A N ILE 309.A O no hydrogen 3.022 N/A ARG 314.A N ALA 310.A O no hydrogen 2.902 N/A ARG 314.A NE ASP 315.A OD1 no hydrogen 2.997 N/A ARG 314.A NH2 ARG 193.A O no hydrogen 3.283 N/A ARG 314.A NH2 ASP 315.A OD1 no hydrogen 3.122 N/A ASP 315.A N GLU 311.A O no hydrogen 2.883 N/A GLN 316.A N TYR 312.A O no hydrogen 2.998 N/A GLY 317.A N ARG 314.A O no hydrogen 2.735 N/A PHE 318.A N PHE 313.A O no hydrogen 3.151 N/A SER 319.A N ASP 248.A OD2 no hydrogen 3.484 N/A SER 319.A OG ASP 248.A OD2 no hydrogen 3.023 N/A VAL 320.A N ALA 377.A O no hydrogen 2.861 N/A ALA 321.A N VAL 249.A O no hydrogen 2.901 N/A LEU 322.A N THR 379.A O no hydrogen 2.666 N/A MET 323.A N VAL 251.A O no hydrogen 2.866 N/A ALA 324.A N VAL 381.A O no hydrogen 3.369 N/A ASP 325.A N VAL 253.A O no hydrogen 2.795 N/A SER 326.A OG SER 385.A OG no hydrogen 3.029 N/A THR 327.A N ALA 383.A O no hydrogen 3.028 N/A THR 327.A OG1 ALA 383.A O no hydrogen 3.134 N/A ARG 329.A NE GLU 257.A OE2 no hydrogen 3.257 N/A ARG 329.A NH1 GLU 332.A OE1 no hydrogen 3.162 N/A TRP 330.A NE1 GLU 300.A OE1 no hydrogen 3.184 N/A ALA 331.A N THR 327.A O no hydrogen 2.951 N/A GLU 332.A N SER 328.A O no hydrogen 2.875 N/A ALA 333.A N ARG 329.A O no hydrogen 2.892 N/A LEU 334.A N TRP 330.A O no hydrogen 2.994 N/A ARG 335.A N ALA 331.A O no hydrogen 2.929 N/A ARG 335.A NH1 GLU 348.A O no hydrogen 3.059 N/A GLU 336.A N GLU 332.A O no hydrogen 2.944 N/A ILE 337.A N ALA 333.A O no hydrogen 3.004 N/A SER 338.A N LEU 334.A O no hydrogen 2.887 N/A SER 338.A OG GLU 343.A OE1 no hydrogen 3.273 N/A SER 339.A N ARG 335.A O no hydrogen 2.903 N/A ARG 340.A N GLU 336.A O no hydrogen 3.017 N/A LEU 341.A N ILE 337.A O no hydrogen 2.932 N/A GLU 342.A N SER 339.A O no hydrogen 3.168 N/A GLU 343.A N SER 338.A O no hydrogen 3.375 N/A ALA 346.A N TYR 350.A O no hydrogen 2.776 N/A GLY 349.A N ALA 346.A O no hydrogen 2.981 N/A LEU 354.A N PRO 351.A O no hydrogen 3.305 N/A ARG 357.A N TYR 353.A O no hydrogen 2.941 N/A LEU 358.A N LEU 354.A O no hydrogen 2.928 N/A ALA 359.A N ALA 355.A O no hydrogen 2.895 N/A ALA 360.A N ALA 356.A O no hydrogen 2.942 N/A PHE 361.A N ARG 357.A O no hydrogen 2.924 N/A TYR 362.A N LEU 358.A O no hydrogen 2.909 N/A GLU 363.A N ALA 359.A O no hydrogen 2.921 N/A ARG 364.A NE GLU 311.A OE1 no hydrogen 3.287 N/A ARG 364.A NE GLU 311.A OE2 no hydrogen 3.027 N/A ARG 364.A NH1 VAL 189.A O no hydrogen 2.820 N/A ARG 364.A NH2 VAL 189.A O no hydrogen 3.488 N/A ARG 364.A NH2 THR 308.A OG1 no hydrogen 3.403 N/A ARG 364.A NH2 GLU 311.A OE1 no hydrogen 2.521 N/A ALA 365.A N TYR 362.A O no hydrogen 3.292 N/A GLY 366.A N VAL 378.A O no hydrogen 3.077 N/A LYS 367.A NZ ASN 202.A OD1 no hydrogen 3.367 N/A VAL 368.A N GLY 376.A O no hydrogen 2.877 N/A ILE 369.A N ARG 197.A O no hydrogen 2.732 N/A THR 370.A N GLU 374.A O no hydrogen 2.935 N/A THR 370.A OG1 GLU 374.A O no hydrogen 3.381 N/A GLY 373.A N THR 370.A O no hydrogen 3.056 N/A GLY 376.A N VAL 368.A O no hydrogen 3.220 N/A ALA 377.A N PHE 318.A O no hydrogen 3.313 N/A VAL 378.A N GLY 366.A O no hydrogen 3.139 N/A THR 379.A N VAL 320.A O no hydrogen 3.157 N/A THR 379.A OG1 ALA 219.A O no hydrogen 3.488 N/A THR 379.A OG1 MET 220.A O no hydrogen 2.218 N/A ILE 380.A N GLY 222.A O no hydrogen 3.332 N/A VAL 381.A N LEU 322.A O no hydrogen 2.976 N/A GLY 382.A N ALA 224.A O no hydrogen 3.100 N/A ALA 383.A N ALA 324.A O no hydrogen 3.060 N/A VAL 384.A N ILE 226.A O no hydrogen 3.490 N/A SER 385.A N SER 328.A OG no hydrogen 2.842 N/A SER 385.A OG SER 326.A OG no hydrogen 3.029 N/A GLY 389.A N PRO 386.A O no hydrogen 3.044 N/A ASP 390.A N PRO 387.A O no hydrogen 3.280 N/A SER 392.A N ASP 390.A OD1 no hydrogen 3.287 N/A SER 392.A OG ASP 390.A OD1 no hydrogen 3.527 N/A GLN 397.A N GLU 393.A O no hydrogen 3.191 N/A SER 398.A N PRO 394.A O no hydrogen 2.878 N/A SER 398.A OG PRO 394.A O no hydrogen 2.807 N/A THR 399.A N VAL 395.A O no hydrogen 2.944 N/A THR 399.A OG1 VAL 395.A O no hydrogen 2.820 N/A LEU 400.A N THR 396.A O no hydrogen 2.902 N/A ARG 401.A N SER 398.A O no hydrogen 3.406 N/A ILE 402.A N THR 399.A O no hydrogen 3.162 N/A GLY 404.A N THR 223.A O no hydrogen 2.895 N/A ALA 405.A N THR 223.A O no hydrogen 3.077 N/A PHE 406.A N TYR 428.A O no hydrogen 3.034 N/A TRP 407.A N ALA 225.A O no hydrogen 2.765 N/A ARG 408.A N SER 427.A OG no hydrogen 3.085 N/A LEU 409.A N PRO 227.A O no hydrogen 3.151 N/A ASP 410.A N ALA 421.A O no hydrogen 3.347 N/A SER 412.A N ASP 410.A OD1 no hydrogen 3.096 N/A SER 412.A OG ASP 410.A OD2 no hydrogen 2.363 N/A ALA 414.A N ASP 410.A O no hydrogen 3.258 N/A PHE 415.A N ALA 411.A O no hydrogen 2.906 N/A ARG 416.A N SER 412.A O no hydrogen 3.250 N/A ARG 417.A N ALA 414.A O no hydrogen 2.937 N/A ARG 417.A NH1 PHE 415.A O no hydrogen 3.341 N/A HIS 418.A N LEU 413.A O no hydrogen 2.914 N/A HIS 418.A NE2 ARG 491.A O no hydrogen 3.200 N/A ASN 423.A N ARG 408.A O no hydrogen 2.677 N/A SER 427.A N TRP 424.A O no hydrogen 3.416 N/A SER 427.A OG ASN 423.A O no hydrogen 2.803 N/A TYR 428.A N PHE 406.A O no hydrogen 3.236 N/A SER 429.A OG PRO 217.A O no hydrogen 2.457 N/A LEU 430.A N GLY 404.A O no hydrogen 2.944 N/A PHE 431.A N SER 429.A OG no hydrogen 3.388 N/A LEU 435.A N THR 432.A O no hydrogen 3.116 N/A ASP 436.A N SER 433.A O no hydrogen 3.332 N/A TYR 439.A N LEU 435.A O no hydrogen 3.098 N/A ARG 440.A N ASP 436.A O no hydrogen 2.925 N/A ARG 440.A NH1 GLU 445.A O no hydrogen 2.588 N/A ARG 440.A NH1 GLU 449.A OE1 no hydrogen 3.244 N/A ARG 440.A NH1 GLU 449.A OE2 no hydrogen 3.240 N/A GLU 441.A N PRO 437.A O no hydrogen 2.953 N/A ASN 442.A N TRP 438.A O no hydrogen 2.890 N/A ASN 442.A N TYR 439.A O no hydrogen 3.321 N/A VAL 443.A N TYR 439.A O no hydrogen 2.720 N/A ALA 444.A N TYR 439.A O no hydrogen 3.167 N/A TYR 447.A N ALA 444.A O no hydrogen 3.240 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 2.245 N/A LEU 450.A N ASP 446.A O no hydrogen 3.074 N/A ARG 451.A N TYR 447.A O no hydrogen 2.952 N/A ARG 451.A NH1 ASP 436.A OD1 no hydrogen 3.121 N/A ARG 451.A NH2 ASP 436.A OD1 no hydrogen 3.054 N/A ASP 452.A N PRO 448.A O no hydrogen 2.928 N/A ALA 453.A N GLU 449.A O no hydrogen 2.881 N/A ILE 454.A N LEU 450.A O no hydrogen 2.932 N/A SER 455.A N ARG 451.A O no hydrogen 2.963 N/A SER 455.A OG ARG 451.A O no hydrogen 3.377 N/A SER 455.A OG ASP 452.A O no hydrogen 2.584 N/A GLU 456.A N ASP 452.A O no hydrogen 2.872 N/A LEU 457.A N ALA 453.A O no hydrogen 2.951 N/A LEU 458.A N ILE 454.A O no hydrogen 2.955 N/A GLN 459.A N SER 455.A O no hydrogen 2.909 N/A ARG 460.A N GLU 456.A O no hydrogen 2.928 N/A GLU 461.A N LEU 457.A O no hydrogen 2.904 N/A ALA 462.A N LEU 458.A O no hydrogen 2.901 N/A GLY 463.A N GLN 459.A O no hydrogen 2.965 N/A LEU 464.A N ARG 460.A O no hydrogen 2.934 N/A GLN 465.A N GLU 461.A O no hydrogen 2.918 N/A VAL 468.A N LEU 464.A O no hydrogen 2.900 N/A GLN 469.A N GLN 465.A O no hydrogen 2.923 N/A LEU 470.A N ILE 467.A O no hydrogen 3.057 N/A VAL 471.A N ILE 467.A O no hydrogen 2.897 N/A GLY 472.A N VAL 468.A O no hydrogen 2.902 N/A ALA 475.A N GLY 472.A O no hydrogen 3.206 N/A LEU 476.A N PRO 473.A O no hydrogen 3.133 N/A GLU 480.A N GLU 480.A OE1 no hydrogen 2.421 N/A ARG 481.A N GLN 477.A O no hydrogen 2.962 N/A LEU 482.A N ASP 478.A O no hydrogen 2.891 N/A VAL 483.A N ALA 479.A O no hydrogen 2.970 N/A ILE 484.A N GLU 480.A O no hydrogen 2.935 N/A GLU 485.A N ARG 481.A O no hydrogen 2.903 N/A VAL 486.A N LEU 482.A O no hydrogen 2.890 N/A GLY 487.A N VAL 483.A O no hydrogen 2.877 N/A ARG 488.A N ILE 484.A O no hydrogen 2.942 N/A ARG 488.A NE GLU 485.A OE1 no hydrogen 3.082 N/A ARG 488.A NH1 GLU 492.A OE1 no hydrogen 2.823 N/A ARG 488.A NH2 GLU 485.A OE1 no hydrogen 3.508 N/A ILE 489.A N GLU 485.A O no hydrogen 2.909 N/A ILE 490.A N VAL 486.A O no hydrogen 2.879 N/A ARG 491.A N GLY 487.A O no hydrogen 2.918 N/A ARG 491.A NH1 GLU 461.A OE2 no hydrogen 2.871 N/A GLU 492.A N ARG 488.A O no hydrogen 2.895 N/A ASP 493.A N ILE 489.A O no hydrogen 2.870 N/A PHE 494.A N ILE 490.A O no hydrogen 2.916 N/A LEU 495.A N ILE 490.A O no hydrogen 2.928 N/A GLN 497.A N PHE 419.A O no hydrogen 3.393 N/A GLN 497.A NE2 GLY 208.A O no hydrogen 2.771 N/A GLN 497.A NE2 ASP 504.A O no hydrogen 2.884 N/A GLN 497.A NE2 ALA 505.A O no hydrogen 2.761 N/A HIS 501.A N ASN 498.A O no hydrogen 3.133 N/A GLU 502.A N GLU 502.A OE1 no hydrogen 2.787 N/A VAL 503.A N HIS 501.A ND1 no hydrogen 3.081 N/A ASP 504.A N HIS 501.A ND1 no hydrogen 3.325 N/A ALA 505.A N HIS 501.A O no hydrogen 3.351 N/A CYS 507.A N GLY 208.A O no hydrogen 3.094 N/A CYS 507.A SG SER 508.A O no hydrogen 3.681 N/A SER 508.A N GLU 556.A OE2 no hydrogen 2.651 N/A LYS 511.A NZ ARG 552.A O no hydrogen 2.413 N/A LYS 511.A NZ VAL 554.A O no hydrogen 3.105 N/A ALA 512.A N SER 508.A O no hydrogen 3.121 N/A TYR 513.A N MET 509.A O no hydrogen 2.922 N/A TYR 513.A OH ASP 446.A OD1 no hydrogen 2.323 N/A TYR 513.A OH ASP 446.A OD2 no hydrogen 3.310 N/A GLY 514.A N LYS 510.A O no hydrogen 2.855 N/A ILE 515.A N LYS 511.A O no hydrogen 2.943 N/A MET 516.A N ALA 512.A O no hydrogen 2.942 N/A LYS 517.A N TYR 513.A O no hydrogen 2.852 N/A MET 518.A N GLY 514.A O no hydrogen 2.915 N/A ILE 519.A N ILE 515.A O no hydrogen 2.941 N/A LEU 520.A N MET 516.A O no hydrogen 2.914 N/A ALA 521.A N LYS 517.A O no hydrogen 2.889 N/A PHE 522.A N MET 518.A O no hydrogen 2.907 N/A TYR 523.A N ILE 519.A O no hydrogen 2.911 N/A LYS 524.A N LEU 520.A O no hydrogen 2.902 N/A GLU 525.A N ALA 521.A O no hydrogen 2.977 N/A ALA 526.A N PHE 522.A O no hydrogen 2.863 N/A GLU 527.A N TYR 523.A O no hydrogen 2.873 N/A ALA 528.A N LYS 524.A O no hydrogen 2.975 N/A ALA 529.A N GLU 525.A O no hydrogen 2.859 N/A ILE 530.A N ALA 526.A O no hydrogen 2.913 N/A LYS 531.A N GLU 527.A O no hydrogen 2.958 N/A ARG 532.A N ALA 528.A O no hydrogen 3.132 N/A ARG 532.A N ALA 529.A O no hydrogen 2.884 N/A ARG 532.A NH1 ALA 578.A O no hydrogen 2.712 N/A ARG 532.A NH2 ALA 578.A O no hydrogen 2.754 N/A GLY 533.A N ILE 530.A O no hydrogen 3.095 N/A VAL 534.A N ALA 529.A O no hydrogen 3.046 N/A ASP 537.A N SER 535.A OG no hydrogen 3.342 N/A GLU 538.A N GLU 538.A OE1 no hydrogen 2.861 N/A LEU 540.A N ILE 536.A O no hydrogen 3.072 N/A LEU 540.A N ASP 537.A O no hydrogen 3.193 N/A GLN 541.A N GLU 538.A O no hydrogen 2.887 N/A LEU 545.A N LEU 542.A O no hydrogen 2.741 N/A ARG 547.A NH1 GLU 569.A OE1 no hydrogen 2.647 N/A ILE 548.A N VAL 544.A O no hydrogen 2.925 N/A GLY 549.A N LEU 545.A O no hydrogen 2.910 N/A ARG 550.A N GLU 546.A O no hydrogen 2.908 N/A ALA 551.A N ILE 548.A O no hydrogen 3.444 N/A ARG 552.A NE ASP 504.A OD2 no hydrogen 2.833 N/A ARG 552.A NH1 GLN 496.A OE1 no hydrogen 3.271 N/A ARG 552.A NH2 ASP 504.A OD2 no hydrogen 2.975 N/A TYR 553.A N ARG 550.A O no hydrogen 3.285 N/A VAL 554.A N ALA 551.A O no hydrogen 3.140 N/A SER 555.A OG GLU 557.A OE1 no hydrogen 2.637 N/A SER 555.A OG GLU 557.A OE2 no hydrogen 2.738 N/A GLU 557.A N GLU 557.A OE1 no hydrogen 2.463 N/A GLU 558.A N SER 555.A O no hydrogen 3.036 N/A PHE 559.A N GLU 556.A O no hydrogen 3.148 N/A TYR 562.A N GLU 558.A O no hydrogen 3.473 N/A TYR 562.A OH ARG 547.A O no hydrogen 3.006 N/A PHE 563.A N PHE 559.A O no hydrogen 2.847 N/A GLU 564.A N PRO 560.A O no hydrogen 2.979 N/A GLU 565.A N ALA 561.A O no hydrogen 2.914 N/A ALA 566.A N TYR 562.A O no hydrogen 2.889 N/A MET 567.A N PHE 563.A O no hydrogen 2.898 N/A LYS 568.A N GLU 564.A O no hydrogen 2.999 N/A GLU 569.A N GLU 565.A O no hydrogen 2.908 N/A ILE 570.A N ALA 566.A O no hydrogen 2.850 N/A GLN 571.A N MET 567.A O no hydrogen 2.966 N/A GLY 572.A N LYS 568.A O no hydrogen 2.978 N/A ALA 573.A N GLU 569.A O no hydrogen 2.866 N/A ALA 576.A N ALA 573.A O no hydrogen 3.148 N/A LEU 577.A N PHE 574.A O no hydrogen 3.180 N/A ALA 578.A N LYS 575.A O no hydrogen 2.895 N/A