Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5xpg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N HIS 2.A ND1 no hydrogen 2.898 N/A THR 6.A N ALA 312.A O no hydrogen 2.862 N/A VAL 8.A N ALA 310.A O no hydrogen 2.877 N/A PHE 9.A N TYR 581.A O no hydrogen 2.696 N/A LEU 10.A N VAL 308.A O no hydrogen 3.087 N/A PHE 13.A N LEU 164.A O no hydrogen 2.672 N/A ALA 14.A N GLU 306.A O no hydrogen 2.997 N/A LEU 15.A N PHE 162.A O no hydrogen 2.818 N/A ARG 16.A N LEU 302.A O no hydrogen 2.905 N/A ARG 16.A NH1 GLU 22.A OE1 no hydrogen 2.844 N/A ARG 16.A NH2 GLY 301.A O no hydrogen 3.157 N/A LEU 18.A N GLY 160.A O no hydrogen 2.799 N/A ASN 19.A N GLU 22.A OE2 no hydrogen 2.910 N/A GLU 22.A N ASN 19.A O no hydrogen 3.021 N/A GLU 22.A N ASN 19.A OD1 no hydrogen 3.170 N/A LEU 23.A N ASN 19.A O no hydrogen 3.225 N/A LEU 23.A N PRO 20.A O no hydrogen 3.003 N/A ARG 24.A N PRO 20.A O no hydrogen 3.123 N/A ARG 27.A N GLY 93.A O no hydrogen 3.453 N/A GLU 29.A N TYR 90.A O no hydrogen 2.822 N/A VAL 31.A N ARG 88.A O no hydrogen 3.228 N/A ASP 33.A N ALA 86.A O no hydrogen 2.975 N/A LEU 44.A N GLU 40.A O no hydrogen 3.377 N/A LEU 44.A N VAL 41.A O no hydrogen 3.205 N/A LEU 45.A N VAL 41.A O no hydrogen 2.991 N/A ALA 46.A N TYR 42.A O no hydrogen 2.921 N/A GLN 47.A N PRO 43.A O no hydrogen 3.251 N/A VAL 48.A N LEU 45.A O no hydrogen 3.056 N/A ALA 49.A N LEU 45.A O no hydrogen 3.162 N/A ARG 50.A N ALA 46.A O no hydrogen 3.271 N/A ALA 52.A N ALA 49.A O no hydrogen 3.255 N/A GLY 53.A N ALA 49.A O no hydrogen 3.240 N/A VAL 55.A N SER 67.A OG no hydrogen 3.052 N/A THR 56.A N GLY 54.A O no hydrogen 2.940 N/A THR 56.A OG1 GLY 53.A O no hydrogen 3.436 N/A VAL 57.A N ALA 64.A O no hydrogen 3.056 N/A ARG 58.A NE GLY 60.A O no hydrogen 3.452 N/A ARG 58.A NH2 GLY 60.A O no hydrogen 3.459 N/A MET 59.A N GLY 62.A O no hydrogen 2.721 N/A GLY 62.A N MET 59.A O no hydrogen 2.941 N/A ALA 64.A N VAL 57.A O no hydrogen 2.781 N/A SER 65.A OG VAL 55.A O no hydrogen 3.458 N/A SER 65.A OG SER 67.A O no hydrogen 3.404 N/A TRP 66.A N VAL 55.A O no hydrogen 2.831 N/A TRP 66.A NE1 GLU 22.A O no hydrogen 2.670 N/A SER 67.A N SER 65.A OG no hydrogen 3.148 N/A VAL 71.A N PRO 68.A O no hydrogen 2.897 N/A LEU 72.A N PRO 69.A O no hydrogen 2.965 N/A VAL 73.A N ALA 52.A O no hydrogen 3.455 N/A THR 77.A OG1 TYR 85.A O no hydrogen 3.226 N/A LEU 78.A N TYR 85.A O no hydrogen 3.342 N/A ARG 80.A N GLN 83.A O no hydrogen 3.098 N/A TYR 85.A N LEU 78.A O no hydrogen 3.173 N/A ALA 86.A N ASP 33.A O no hydrogen 2.764 N/A TYR 87.A N GLY 76.A O no hydrogen 3.262 N/A LEU 89.A N LEU 74.A O no hydrogen 3.156 N/A TYR 90.A N GLU 29.A O no hydrogen 2.956 N/A ARG 94.A NE ARG 24.A O no hydrogen 3.302 N/A ARG 94.A NH1 GLU 21.A OE1 no hydrogen 3.050 N/A ARG 94.A NH1 ARG 24.A O no hydrogen 2.742 N/A LEU 97.A N LEU 23.A O no hydrogen 2.849 N/A LYS 100.A N ASP 98.A OD1 no hydrogen 2.724 N/A GLY 103.A N ASP 101.A OD2 no hydrogen 3.240 N/A GLU 104.A N ASP 101.A O no hydrogen 2.810 N/A ARG 105.A N ASP 101.A O no hydrogen 3.014 N/A SER 106.A N PRO 102.A O no hydrogen 3.241 N/A VAL 107.A N GLU 104.A O no hydrogen 2.792 N/A LEU 108.A N GLU 104.A O no hydrogen 3.048 N/A SER 109.A N ARG 105.A O no hydrogen 2.587 N/A SER 109.A OG ARG 105.A O no hydrogen 3.133 N/A ALA 110.A N SER 106.A O no hydrogen 3.100 N/A LEU 111.A N VAL 107.A O no hydrogen 2.841 N/A ALA 112.A N LEU 108.A O no hydrogen 2.866 N/A ARG 113.A N SER 109.A O no hydrogen 2.976 N/A ARG 113.A NH1 ASP 153.A OD1 no hydrogen 3.285 N/A ARG 114.A N ALA 110.A O no hydrogen 3.077 N/A ARG 114.A NH2 GLY 54.A O no hydrogen 3.203 N/A ARG 114.A NH2 GLU 118.A OE1 no hydrogen 2.801 N/A LEU 115.A N LEU 111.A O no hydrogen 2.682 N/A LEU 116.A N ALA 112.A O no hydrogen 2.953 N/A GLN 117.A N ARG 113.A O no hydrogen 3.175 N/A GLN 117.A NE2 GLY 130.A O no hydrogen 3.625 N/A GLU 118.A N ARG 114.A O no hydrogen 3.174 N/A GLU 118.A N LEU 115.A O no hydrogen 2.892 N/A ARG 119.A N LEU 115.A O no hydrogen 3.094 N/A LEU 120.A N LEU 116.A O no hydrogen 3.150 N/A ARG 121.A N GLN 117.A O no hydrogen 3.098 N/A ARG 121.A N GLU 118.A O no hydrogen 3.062 N/A ARG 122.A N GLU 118.A O no hydrogen 3.334 N/A LEU 123.A N LEU 120.A O no hydrogen 3.187 N/A TRP 127.A N TYR 134.A O no hydrogen 2.844 N/A GLU 129.A N ALA 132.A O no hydrogen 3.136 N/A ALA 132.A N GLU 129.A O no hydrogen 3.226 N/A VAL 133.A N ALA 150.A O no hydrogen 2.873 N/A TYR 134.A N TRP 127.A O no hydrogen 2.861 N/A ARG 135.A N GLY 148.A O no hydrogen 2.938 N/A ARG 136.A N GLY 148.A O no hydrogen 3.294 N/A HIS 138.A N VAL 146.A O no hydrogen 2.769 N/A ALA 139.A N VAL 146.A O no hydrogen 3.351 N/A GLY 141.A N TRP 144.A O no hydrogen 3.118 N/A ARG 145.A N LEU 173.A O no hydrogen 2.975 N/A ARG 145.A NE GLU 175.A OE1 no hydrogen 3.064 N/A ARG 145.A NE GLU 175.A OE2 no hydrogen 3.348 N/A ARG 145.A NH2 GLU 175.A OE2 no hydrogen 2.893 N/A VAL 146.A N ALA 139.A O no hydrogen 2.950 N/A LEU 147.A N ARG 171.A O no hydrogen 2.915 N/A GLY 148.A N ARG 136.A O no hydrogen 2.741 N/A GLY 149.A N ALA 169.A O no hydrogen 2.867 N/A ALA 150.A N VAL 133.A O no hydrogen 2.831 N/A VAL 151.A N ASP 167.A O no hydrogen 3.115 N/A LEU 152.A N LEU 131.A O no hydrogen 3.098 N/A ASP 153.A N GLU 165.A O no hydrogen 3.104 N/A TRP 155.A N LEU 163.A O no hydrogen 3.112 N/A VAL 156.A N SER 109.A OG no hydrogen 2.757 N/A SER 157.A N ALA 161.A O no hydrogen 2.655 N/A PHE 162.A N ARG 16.A O no hydrogen 2.936 N/A LEU 163.A N TRP 155.A O no hydrogen 2.836 N/A LEU 164.A N PHE 13.A O no hydrogen 2.834 N/A GLU 165.A N ASP 153.A O no hydrogen 2.890 N/A VAL 166.A N ASN 11.A O no hydrogen 3.167 N/A ASP 167.A N VAL 151.A O no hydrogen 3.152 N/A ALA 169.A N GLY 149.A O no hydrogen 2.883 N/A ARG 171.A N LEU 147.A O no hydrogen 2.950 N/A ARG 171.A NH1 GLU 129.A OE2 no hydrogen 2.528 N/A LEU 173.A N ARG 145.A O no hydrogen 2.914 N/A GLU 175.A N GLY 143.A O no hydrogen 2.771 N/A LEU 178.A N LEU 260.A O no hydrogen 2.686 N/A GLU 179.A N THR 257.A O no hydrogen 3.040 N/A ALA 180.A N SER 177.A OG no hydrogen 3.058 N/A TRP 181.A N SER 177.A O no hydrogen 2.862 N/A LEU 182.A N LEU 178.A O no hydrogen 2.949 N/A ALA 183.A N GLU 179.A O no hydrogen 2.966 N/A GLN 184.A N ALA 180.A O no hydrogen 2.922 N/A GLN 184.A N TRP 181.A O no hydrogen 3.301 N/A GLY 185.A N LEU 182.A O no hydrogen 3.072 N/A HIS 186.A NE2 GLU 272.A OE2 no hydrogen 2.894 N/A VAL 192.A N TRP 201.A O no hydrogen 2.975 N/A ARG 193.A N VAL 261.A O no hydrogen 2.558 N/A ASN 194.A N ARG 199.A O no hydrogen 2.904 N/A ASN 194.A ND2 ASP 197.A OD2 no hydrogen 3.088 N/A ALA 195.A N LEU 259.A O no hydrogen 2.921 N/A ARG 199.A N ASP 197.A OD2 no hydrogen 2.857 N/A ARG 199.A NH2 ASP 245.A OD2 no hydrogen 3.002 N/A THR 200.A OG1 VAL 192.A O no hydrogen 3.530 N/A TRP 201.A N VAL 192.A O no hydrogen 2.735 N/A TRP 201.A NE1 ASN 194.A OD1 no hydrogen 3.172 N/A GLU 202.A N ALA 244.A O no hydrogen 3.018 N/A LEU 203.A N LYS 190.A O no hydrogen 2.972 N/A LEU 204.A N TRP 242.A O no hydrogen 2.832 N/A ARG 205.A N TRP 242.A O no hydrogen 3.214 N/A ARG 205.A NH1 GLU 208.A OE2 no hydrogen 3.171 N/A GLY 207.A N VAL 240.A O no hydrogen 2.671 N/A LYS 212.A N ASP 210.A OD2 no hydrogen 2.586 N/A GLU 213.A N ASP 210.A O no hydrogen 2.913 N/A LEU 214.A N ASP 210.A O no hydrogen 2.769 N/A LEU 216.A N LEU 220.A O no hydrogen 2.772 N/A SER 221.A OG LYS 212.A O no hydrogen 2.838 N/A LEU 222.A N LEU 214.A O no hydrogen 2.868 N/A LEU 223.A N PRO 211.A O no hydrogen 3.366 N/A TYR 225.A N SER 221.A O no hydrogen 2.818 N/A HIS 226.A N LEU 222.A O no hydrogen 3.278 N/A ALA 227.A N LEU 223.A O no hydrogen 2.688 N/A SER 228.A N ASP 224.A O no hydrogen 2.730 N/A LYS 229.A N TYR 225.A O no hydrogen 3.403 N/A GLY 230.A N ALA 227.A O no hydrogen 2.592 N/A ARG 231.A N HIS 226.A O no hydrogen 3.331 N/A ARG 231.A NH1 HIS 226.A ND1 no hydrogen 3.192 N/A ARG 235.A N LEU 232.A O no hydrogen 3.308 N/A ARG 235.A NE ARG 231.A O no hydrogen 2.993 N/A ARG 239.A N THR 257.A OG1 no hydrogen 2.984 N/A ARG 239.A NE GLU 179.A OE1 no hydrogen 2.849 N/A ARG 239.A NH2 GLU 179.A OE1 no hydrogen 2.801 N/A ALA 241.A N HIS 255.A O no hydrogen 2.691 N/A TRP 242.A N ARG 205.A O no hydrogen 2.732 N/A TRP 242.A NE1 GLU 209.A OE2 no hydrogen 2.872 N/A VAL 243.A N ILE 253.A O no hydrogen 2.949 N/A ALA 244.A N GLU 202.A O no hydrogen 2.903 N/A LYS 247.A N ASP 245.A OD1 no hydrogen 3.259 N/A ASP 248.A N ASP 245.A O no hydrogen 2.757 N/A ARG 250.A N ASP 248.A O no hydrogen 2.482 N/A ILE 253.A N VAL 243.A O no hydrogen 2.672 N/A HIS 255.A NE2 ASN 194.A OD1 no hydrogen 2.811 N/A LEU 256.A N HIS 255.A ND1 no hydrogen 3.068 N/A THR 257.A N ARG 239.A O no hydrogen 2.980 N/A LEU 259.A N LEU 256.A O no hydrogen 2.854 N/A VAL 261.A N ARG 193.A O no hydrogen 2.708 N/A VAL 263.A N ARG 191.A O no hydrogen 3.269 N/A LEU 269.A N THR 265.A O no hydrogen 3.346 N/A HIS 270.A N LEU 266.A O no hydrogen 2.900 N/A GLU 271.A N GLU 267.A O no hydrogen 3.059 N/A GLY 274.A N LEU 269.A O no hydrogen 3.423 N/A SER 279.A OG ARG 610.A O no hydrogen 3.474 N/A GLU 284.A N PRO 281.A O no hydrogen 2.934 N/A ARG 285.A N PRO 281.A O no hydrogen 3.103 N/A ARG 285.A NE THR 612.A OG1 no hydrogen 3.343 N/A ARG 285.A NH1 ASP 167.A OD1 no hydrogen 3.012 N/A ARG 285.A NH1 PRO 168.A O no hydrogen 3.061 N/A ARG 286.A N TRP 282.A O no hydrogen 2.880 N/A ARG 287.A N GLU 283.A O no hydrogen 3.072 N/A ARG 287.A NH1 GLU 291.A OE2 no hydrogen 3.304 N/A ARG 288.A N GLU 284.A O no hydrogen 2.948 N/A ARG 288.A NH1 TYR 170.A OH no hydrogen 2.981 N/A THR 289.A N ARG 285.A O no hydrogen 2.758 N/A THR 289.A OG1 ARG 285.A O no hydrogen 3.056 N/A ARG 290.A N ARG 286.A O no hydrogen 3.133 N/A GLU 291.A N ARG 287.A O no hydrogen 3.032 N/A ILE 292.A N ARG 288.A O no hydrogen 2.874 N/A ALA 293.A N THR 289.A O no hydrogen 3.031 N/A SER 294.A N ARG 290.A O no hydrogen 3.127 N/A TRP 295.A N GLU 291.A O no hydrogen 2.880 N/A ILE 296.A N ILE 292.A O no hydrogen 2.985 N/A GLY 297.A N ALA 293.A O no hydrogen 2.905 N/A ARG 298.A N SER 294.A O no hydrogen 3.221 N/A ARG 299.A N ILE 296.A O no hydrogen 2.812 N/A ARG 299.A NH1 TRP 295.A O no hydrogen 3.240 N/A LEU 300.A N GLY 297.A O no hydrogen 3.383 N/A GLU 306.A N ALA 14.A O no hydrogen 3.097 N/A VAL 308.A N ARG 12.A O no hydrogen 3.100 N/A ALA 310.A N VAL 8.A O no hydrogen 2.818 N/A ALA 312.A N THR 6.A O no hydrogen 2.667 N/A TYR 313.A N TYR 592.A O no hydrogen 2.818 N/A ARG 314.A N GLY 4.A O no hydrogen 2.913 N/A LEU 315.A N GLY 590.A O no hydrogen 2.767 N/A SER 316.A OG HIS 632.A NE2 no hydrogen 3.320 N/A MET 321.A N ALA 463.A O no hydrogen 2.835 N/A GLY 322.A N ARG 324.A O no hydrogen 3.043 N/A ARG 323.A N GLY 336.A O no hydrogen 2.813 N/A VAL 326.A N LEU 320.A O no hydrogen 3.173 N/A SER 327.A OG ASP 331.A OD2 no hydrogen 3.516 N/A ALA 330.A N GLY 645.A O no hydrogen 3.135 N/A ASP 331.A N LYS 328.A O no hydrogen 3.047 N/A ALA 332.A N PRO 329.A O no hydrogen 3.323 N/A LEU 333.A N ALA 330.A O no hydrogen 2.866 N/A ARG 334.A N ASP 331.A O no hydrogen 2.867 N/A ARG 334.A NH2 GLU 447.A OE1 no hydrogen 2.548 N/A VAL 335.A N ASP 331.A O no hydrogen 3.027 N/A GLY 336.A N ALA 332.A O no hydrogen 2.776 N/A PHE 337.A N SER 371.A OG no hydrogen 3.106 N/A TYR 338.A N VAL 461.A O no hydrogen 3.128 N/A TYR 338.A OH ASP 496.A OD2 no hydrogen 2.880 N/A ARG 339.A N GLN 460.A O no hydrogen 3.412 N/A ARG 339.A NH2 GLY 498.A O no hydrogen 2.445 N/A THR 343.A N SER 374.A O no hydrogen 3.235 N/A LEU 345.A N ARG 376.A O no hydrogen 3.325 N/A ALA 346.A N ALA 404.A O no hydrogen 3.097 N/A LEU 347.A N HIS 378.A O no hydrogen 2.946 N/A LEU 348.A N LEU 406.A O no hydrogen 2.897 N/A ARG 349.A NE GLY 355.A O no hydrogen 2.978 N/A ARG 349.A NH1 GLY 355.A O no hydrogen 3.231 N/A ARG 349.A NH2 ASP 351.A OD1 no hydrogen 3.220 N/A LEU 350.A N LEU 408.A O no hydrogen 2.756 N/A ALA 353.A N ASP 351.A OD1 no hydrogen 2.964 N/A TRP 356.A NE1 HIS 378.A O no hydrogen 2.964 N/A ARG 361.A N PRO 357.A O no hydrogen 3.199 N/A ARG 362.A N GLU 358.A O no hydrogen 2.906 N/A ALA 363.A N PHE 359.A O no hydrogen 2.903 N/A LEU 364.A N LEU 360.A O no hydrogen 2.867 N/A LEU 365.A N ARG 361.A O no hydrogen 2.909 N/A ARG 366.A N ARG 362.A O no hydrogen 2.824 N/A ALA 367.A N ALA 363.A O no hydrogen 3.004 N/A PHE 368.A N LEU 364.A O no hydrogen 2.973 N/A GLY 369.A N LEU 365.A O no hydrogen 2.843 N/A ALA 370.A N ARG 366.A O no hydrogen 2.943 N/A SER 371.A N PHE 368.A O no hydrogen 3.124 N/A SER 371.A OG ALA 367.A O no hydrogen 2.521 N/A GLY 372.A N GLY 369.A O no hydrogen 3.017 N/A ALA 373.A N PHE 368.A O no hydrogen 3.121 N/A ARG 376.A N THR 343.A O no hydrogen 3.189 N/A HIS 378.A N LEU 345.A O no hydrogen 2.727 N/A LEU 380.A N LEU 347.A O no hydrogen 2.791 N/A SER 385.A N HIS 383.A ND1 no hydrogen 2.827 N/A GLN 386.A N HIS 383.A O no hydrogen 2.977 N/A ALA 389.A N GLN 386.A O no hydrogen 3.231 N/A PHE 390.A N GLY 387.A O no hydrogen 3.335 N/A ARG 391.A N LEU 388.A O no hydrogen 2.915 N/A ALA 393.A N PHE 390.A O no hydrogen 2.920 N/A LEU 394.A N PHE 390.A O no hydrogen 3.280 N/A ARG 395.A N ARG 391.A O no hydrogen 2.926 N/A LYS 396.A N GLU 392.A O no hydrogen 3.117 N/A ALA 397.A N ALA 393.A O no hydrogen 3.233 N/A LYS 398.A N LEU 394.A O no hydrogen 2.951 N/A GLU 399.A N ARG 395.A O no hydrogen 2.848 N/A GLU 400.A N ALA 397.A O no hydrogen 3.280 N/A GLY 401.A N LYS 398.A O no hydrogen 3.221 N/A VAL 402.A N ALA 397.A O no hydrogen 3.293 N/A GLN 403.A N ALA 344.A O no hydrogen 2.872 N/A GLN 403.A NE2 ALA 457.A O no hydrogen 3.134 N/A VAL 405.A N PRO 430.A O no hydrogen 3.063 N/A LEU 406.A N ALA 346.A O no hydrogen 2.825 N/A VAL 407.A N GLN 432.A O no hydrogen 2.778 N/A LEU 408.A N LEU 348.A O no hydrogen 2.971 N/A THR 409.A N LEU 434.A O no hydrogen 3.127 N/A THR 409.A OG1 PRO 410.A O no hydrogen 2.745 N/A ARG 417.A N ALA 413.A O no hydrogen 2.913 N/A ARG 417.A NH1 ASN 418.A OD1 no hydrogen 2.781 N/A ARG 417.A NH1 GLU 664.A OE2 no hydrogen 3.465 N/A ARG 417.A NH2 GLU 664.A OE2 no hydrogen 3.176 N/A ASN 418.A N TRP 414.A O no hydrogen 3.099 N/A ARG 419.A N GLU 415.A O no hydrogen 2.944 N/A LEU 420.A N ASP 416.A O no hydrogen 2.951 N/A LYS 421.A N ARG 417.A O no hydrogen 2.991 N/A LYS 421.A NZ SER 431.A O no hydrogen 3.121 N/A ALA 422.A N ASN 418.A O no hydrogen 2.943 N/A LEU 423.A N ARG 419.A O no hydrogen 2.999 N/A LEU 424.A N LEU 420.A O no hydrogen 2.998 N/A LEU 425.A N LYS 421.A O no hydrogen 2.914 N/A ARG 426.A N ALA 422.A O no hydrogen 2.954 N/A GLU 427.A N LEU 424.A O no hydrogen 3.310 N/A GLY 428.A N LEU 425.A O no hydrogen 2.622 N/A LEU 429.A N LEU 424.A O no hydrogen 2.938 N/A GLN 432.A N VAL 405.A O no hydrogen 3.017 N/A GLN 432.A NE2 ILE 433.A O no hydrogen 2.753 N/A LEU 434.A N VAL 407.A O no hydrogen 2.800 N/A ASN 435.A ND2 THR 409.A O no hydrogen 3.108 N/A ARG 439.A N GLU 442.A OE1 no hydrogen 2.761 N/A ARG 439.A NE GLU 441.A OE2 no hydrogen 2.886 N/A ARG 439.A NH2 GLU 441.A OE2 no hydrogen 2.848 N/A GLU 441.A N GLU 441.A OE1 no hydrogen 2.687 N/A GLU 442.A N ARG 439.A O no hydrogen 2.853 N/A ARG 443.A N GLU 441.A O no hydrogen 2.598 N/A ARG 443.A NE GLU 447.A OE1 no hydrogen 3.535 N/A ARG 443.A NE GLU 447.A OE2 no hydrogen 3.149 N/A ARG 445.A NH2 PRO 437.A O no hydrogen 3.436 N/A TRP 446.A N GLU 442.A O no hydrogen 3.374 N/A TRP 446.A NE1 GLU 440.A O no hydrogen 3.029 N/A GLU 447.A N ARG 443.A O no hydrogen 2.909 N/A ASN 448.A ND2 SER 644.A O no hydrogen 3.172 N/A ALA 449.A N ARG 445.A O no hydrogen 3.045 N/A LEU 450.A N TRP 446.A O no hydrogen 2.977 N/A LEU 451.A N GLU 447.A O no hydrogen 3.005 N/A GLY 452.A N ASN 448.A O no hydrogen 3.011 N/A LEU 453.A N ALA 449.A O no hydrogen 2.903 N/A LEU 454.A N LEU 450.A O no hydrogen 3.074 N/A ALA 455.A N LEU 451.A O no hydrogen 3.254 N/A LYS 456.A N GLY 452.A O no hydrogen 2.870 N/A LYS 456.A NZ SER 431.A O no hydrogen 2.773 N/A LYS 456.A NZ GLN 432.A OE1 no hydrogen 3.308 N/A LYS 456.A NZ VAL 684.A O no hydrogen 3.062 N/A ALA 457.A N LEU 454.A O no hydrogen 3.002 N/A GLY 458.A N LEU 454.A O no hydrogen 3.004 N/A GLY 458.A N ALA 455.A O no hydrogen 3.148 N/A LEU 459.A N LEU 454.A O no hydrogen 3.078 N/A ALA 463.A N MET 321.A O no hydrogen 2.829 N/A LEU 464.A N ASP 496.A O no hydrogen 2.721 N/A SER 465.A N LYS 319.A O no hydrogen 3.103 N/A TYR 468.A OH HIS 636.A ND1 no hydrogen 2.891 N/A GLU 471.A N ARG 539.A O no hydrogen 3.101 N/A ALA 473.A N ALA 492.A O no hydrogen 3.031 N/A VAL 474.A N LEU 541.A O no hydrogen 3.028 N/A GLY 475.A N ALA 490.A O no hydrogen 3.077 N/A PHE 476.A N LEU 543.A O no hydrogen 2.641 N/A ASP 477.A N GLY 488.A O no hydrogen 3.108 N/A ARG 481.A NE GLY 666.A O no hydrogen 3.371 N/A SER 483.A OG GLU 482.A OE2 no hydrogen 3.093 N/A ARG 485.A N GLN 508.A O no hydrogen 2.865 N/A ARG 485.A NE GLU 511.A OE1 no hydrogen 2.925 N/A ARG 485.A NH2 GLU 511.A OE1 no hydrogen 3.439 N/A GLY 488.A N ASP 477.A O no hydrogen 2.987 N/A ALA 490.A N GLY 475.A O no hydrogen 3.212 N/A ALA 492.A N ALA 473.A O no hydrogen 2.672 N/A VAL 493.A N HIS 499.A O no hydrogen 2.867 N/A GLY 497.A N GLY 494.A O no hydrogen 2.877 N/A HIS 499.A N VAL 493.A O no hydrogen 3.264 N/A LEU 501.A N CYS 491.A O no hydrogen 3.019 N/A TRP 502.A N ARG 678.A O no hydrogen 3.168 N/A TRP 502.A NE1 LYS 680.A O no hydrogen 2.981 N/A THR 503.A N ALA 489.A O no hydrogen 3.099 N/A THR 503.A OG1 ALA 489.A O no hydrogen 3.085 N/A GLU 506.A N GLY 487.A O no hydrogen 3.155 N/A GLN 508.A N ARG 485.A O no hydrogen 3.106 N/A ARG 512.A NH2 GLN 550.A O no hydrogen 2.501 N/A ILE 513.A N GLU 552.A OE1 no hydrogen 2.809 N/A VAL 518.A N PRO 514.A O no hydrogen 3.091 N/A TRP 519.A N GLN 515.A O no hydrogen 3.409 N/A ASP 520.A N GLU 516.A O no hydrogen 2.898 N/A LEU 521.A N VAL 517.A O no hydrogen 2.949 N/A LEU 522.A N VAL 518.A O no hydrogen 2.976 N/A GLU 523.A N TRP 519.A O no hydrogen 2.882 N/A GLU 524.A N ASP 520.A O no hydrogen 3.103 N/A THR 525.A N LEU 521.A O no hydrogen 3.338 N/A THR 525.A N LEU 522.A O no hydrogen 2.905 N/A THR 525.A OG1 LEU 522.A O no hydrogen 2.776 N/A LEU 526.A N LEU 522.A O no hydrogen 3.048 N/A TRP 527.A N GLU 523.A O no hydrogen 3.073 N/A ALA 528.A N GLU 524.A O no hydrogen 3.114 N/A PHE 529.A N THR 525.A O no hydrogen 2.992 N/A ARG 530.A N LEU 526.A O no hydrogen 2.886 N/A ARG 531.A N TRP 527.A O no hydrogen 3.226 N/A LYS 532.A N PHE 529.A O no hydrogen 3.326 N/A LYS 532.A NZ GLU 679.A OE1 no hydrogen 3.310 N/A LYS 532.A NZ GLU 679.A OE2 no hydrogen 3.423 N/A ALA 533.A N PHE 529.A O no hydrogen 3.113 N/A ARG 535.A NH1 GLU 471.A OE1 no hydrogen 2.989 N/A SER 538.A N GLU 471.A OE2 no hydrogen 2.940 N/A VAL 540.A N ALA 566.A O no hydrogen 2.872 N/A LEU 541.A N LEU 472.A O no hydrogen 2.859 N/A LEU 542.A N ASP 568.A O no hydrogen 2.829 N/A LEU 543.A N VAL 474.A O no hydrogen 2.960 N/A ARG 544.A N VAL 570.A O no hydrogen 2.955 N/A ARG 544.A NH1 GLU 552.A OE2 no hydrogen 2.876 N/A ARG 544.A NH2 GLU 511.A OE2 no hydrogen 3.278 N/A ARG 544.A NH2 ASN 545.A O no hydrogen 3.354 N/A ASN 545.A N PHE 476.A O no hydrogen 3.076 N/A ASN 545.A ND2 LEU 655.A O no hydrogen 3.318 N/A GLY 546.A N VAL 572.A O no hydrogen 3.034 N/A GLU 552.A N PRO 549.A O no hydrogen 3.235 N/A ALA 554.A N ASP 551.A O no hydrogen 3.432 N/A LEU 557.A N PHE 553.A O no hydrogen 2.734 N/A GLU 558.A N ALA 554.A O no hydrogen 3.129 N/A ALA 559.A N LEU 555.A O no hydrogen 3.223 N/A LEU 560.A N ALA 556.A O no hydrogen 3.119 N/A ALA 561.A N LEU 557.A O no hydrogen 3.004 N/A ARG 562.A N GLU 558.A O no hydrogen 2.701 N/A GLU 563.A N ALA 559.A O no hydrogen 3.041 N/A GLY 564.A N ALA 561.A O no hydrogen 2.869 N/A ILE 565.A N LEU 560.A O no hydrogen 2.866 N/A ALA 566.A N SER 538.A O no hydrogen 3.267 N/A ASP 568.A N VAL 540.A O no hydrogen 3.178 N/A LEU 569.A N ALA 622.A O no hydrogen 2.761 N/A VAL 570.A N LEU 542.A O no hydrogen 2.707 N/A SER 571.A N VAL 619.A O no hydrogen 2.923 N/A SER 571.A OG GLY 546.A O no hydrogen 2.747 N/A VAL 572.A N ARG 544.A O no hydrogen 2.863 N/A ARG 573.A N LYS 617.A O no hydrogen 2.966 N/A ARG 573.A NE SER 571.A OG no hydrogen 2.817 N/A ARG 579.A NE ASP 167.A OD1 no hydrogen 3.389 N/A ARG 579.A NE ASP 167.A OD2 no hydrogen 3.011 N/A ARG 579.A NH1 THR 612.A O no hydrogen 3.417 N/A TYR 581.A N PHE 9.A O no hydrogen 2.894 N/A VAL 583.A N GLU 7.A O no hydrogen 3.123 N/A GLY 590.A N LEU 603.A O no hydrogen 2.866 N/A LEU 591.A N LEU 603.A O no hydrogen 3.129 N/A TYR 592.A N TYR 313.A O no hydrogen 2.906 N/A VAL 593.A N LEU 601.A O no hydrogen 2.921 N/A LEU 595.A N THR 599.A O no hydrogen 3.108 N/A THR 599.A OG1 LEU 618.A O no hydrogen 3.529 N/A PHE 600.A N LEU 618.A O no hydrogen 2.943 N/A LEU 601.A N VAL 593.A O no hydrogen 2.847 N/A LEU 602.A N LEU 616.A O no hydrogen 2.980 N/A LEU 603.A N LEU 591.A O no hydrogen 2.829 N/A THR 604.A OG1 THR 638.A OG1 no hydrogen 3.027 N/A HIS 606.A N ASP 589.A OD1 no hydrogen 3.301 N/A GLY 611.A N ASP 608.A O no hydrogen 2.676 N/A THR 612.A OG1 LEU 280.A O no hydrogen 2.610 N/A LEU 616.A N LEU 602.A O no hydrogen 3.006 N/A LYS 617.A N ARG 573.A O no hydrogen 3.188 N/A LEU 618.A N PHE 600.A O no hydrogen 2.865 N/A VAL 619.A N SER 571.A O no hydrogen 2.962 N/A HIS 620.A N LYS 598.A O no hydrogen 2.537 N/A GLU 621.A N LEU 569.A O no hydrogen 2.753 N/A ALA 622.A N LEU 569.A O no hydrogen 3.332 N/A THR 625.A N ASP 568.A OD1 no hydrogen 2.958 N/A THR 625.A OG1 ASP 568.A OD2 no hydrogen 2.636 N/A ALA 629.A N PRO 626.A O no hydrogen 2.841 N/A LEU 630.A N PRO 626.A O no hydrogen 3.146 N/A ALA 631.A N LEU 627.A O no hydrogen 2.880 N/A HIS 632.A N GLU 628.A O no hydrogen 2.912 N/A GLN 633.A N ALA 629.A O no hydrogen 3.284 N/A GLN 633.A NE2 ALA 470.A O no hydrogen 3.515 N/A ILE 634.A N LEU 630.A O no hydrogen 2.970 N/A PHE 635.A N ALA 631.A O no hydrogen 2.959 N/A HIS 636.A N HIS 632.A O no hydrogen 3.278 N/A HIS 636.A ND1 TYR 468.A OH no hydrogen 2.891 N/A HIS 636.A NE2 SER 316.A O no hydrogen 2.984 N/A LEU 637.A N GLN 633.A O no hydrogen 2.954 N/A THR 638.A N ILE 634.A O no hydrogen 3.109 N/A THR 638.A OG1 THR 604.A OG1 no hydrogen 3.027 N/A ARG 639.A N HIS 636.A O no hydrogen 2.829 N/A LEU 640.A N LEU 637.A O no hydrogen 3.142 N/A SER 644.A OG ALA 647.A O no hydrogen 2.586 N/A PHE 646.A N SER 644.A O no hydrogen 2.572 N/A ARG 650.A NH1 LYS 574.A O no hydrogen 3.526 N/A ARG 650.A NH1 ARG 614.A O no hydrogen 2.573 N/A ARG 650.A NH2 LYS 574.A O no hydrogen 3.429 N/A ALA 653.A N LEU 637.A O no hydrogen 2.966 N/A HIS 656.A N PRO 652.A O no hydrogen 3.041 N/A LEU 657.A N ALA 653.A O no hydrogen 2.866 N/A ALA 658.A N PRO 654.A O no hydrogen 2.850 N/A ASP 659.A N LEU 655.A O no hydrogen 3.025 N/A ARG 660.A N HIS 656.A O no hydrogen 3.093 N/A LEU 661.A N LEU 657.A O no hydrogen 2.806 N/A VAL 662.A N ALA 658.A O no hydrogen 3.044 N/A LYS 663.A N ASP 659.A O no hydrogen 3.151 N/A LYS 663.A NZ ASP 659.A OD2 no hydrogen 3.274 N/A GLU 664.A N ARG 660.A O no hydrogen 2.995 N/A VAL 665.A N LEU 661.A O no hydrogen 3.025 N/A GLY 666.A N VAL 662.A O no hydrogen 3.176 N/A ARG 667.A N GLU 664.A O no hydrogen 2.941 N/A ARG 667.A NE GLU 664.A OE2 no hydrogen 3.342 N/A ARG 667.A NH2 GLU 664.A OE2 no hydrogen 2.707 N/A LEU 668.A N GLU 664.A O no hydrogen 2.767 N/A GLY 669.A N VAL 665.A O no hydrogen 2.620 N/A VAL 676.A N LEU 673.A O no hydrogen 3.311 N/A ARG 678.A NE VAL 676.A O no hydrogen 3.339 N/A LYS 680.A N ASP 677.A O no hydrogen 3.120 N/A LYS 680.A NZ GLN 403.A O no hydrogen 3.031 N/A LEU 681.A N ALA 455.A O no hydrogen 3.131 N/A PHE 682.A N LYS 680.A O no hydrogen 2.791 N/A VAL 684.A N LEU 681.A O no hydrogen 3.432 N/A