Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7bkd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N TYR 34.A OH no hydrogen 3.155 N/A ARG 4.A N THR 63.A OG1 no hydrogen 3.195 N/A ARG 4.A NE TYR 60.A O no hydrogen 3.253 N/A ARG 4.A NH2 TYR 60.A O no hydrogen 2.836 N/A GLY 6.A N GLY 64.A O no hydrogen 3.018 N/A VAL 7.A N VAL 37.A O no hydrogen 2.913 N/A PHE 8.A N VAL 66.A O no hydrogen 2.955 N/A VAL 9.A N ASP 39.A O no hydrogen 2.872 N/A CYS 10.A N ALA 68.A O no hydrogen 3.185 N/A CYS 10.A SG GLN 42.A O no hydrogen 3.196 N/A HIS 11.A N TYR 41.A O no hydrogen 2.929 N/A CYS 12.A N GLN 42.A O no hydrogen 2.809 N/A CYS 12.A SG ASN 15.A OD1 no hydrogen 3.876 N/A THR 14.A OG1 GLY 13.A O no hydrogen 2.411 N/A ASN 15.A N CYS 12.A O no hydrogen 3.429 N/A ILE 16.A N HIS 11.A O no hydrogen 2.930 N/A ALA 17.A N HIS 11.A O no hydrogen 3.431 N/A SER 19.A N ILE 16.A O no hydrogen 3.212 N/A SER 19.A OG SER 103.A O no hydrogen 3.033 N/A SER 19.A OG SER 103.A OG no hydrogen 3.207 N/A SER 21.A N THR 115.A OG1 no hydrogen 3.321 N/A SER 21.A OG ASP 24.A OD2 no hydrogen 3.123 N/A ASP 24.A N SER 21.A OG no hydrogen 3.413 N/A VAL 25.A N SER 21.A O no hydrogen 3.186 N/A VAL 26.A N ILE 22.A O no hydrogen 2.940 N/A ASN 27.A N ASP 23.A O no hydrogen 2.906 N/A TYR 28.A N ASP 24.A O no hydrogen 2.903 N/A ALA 29.A N VAL 25.A O no hydrogen 2.913 N/A LYS 30.A N VAL 26.A O no hydrogen 2.955 N/A LYS 30.A NZ ASN 27.A OD1 no hydrogen 3.137 N/A THR 31.A N TYR 28.A O no hydrogen 3.024 N/A THR 31.A OG1 TYR 28.A O no hydrogen 2.938 N/A LEU 32.A N ALA 29.A O no hydrogen 3.285 N/A ALA 36.A N ILE 5.A O no hydrogen 2.826 N/A ASP 39.A N VAL 7.A O no hydrogen 2.904 N/A GLN 40.A N ASP 39.A OD1 no hydrogen 3.025 N/A GLN 40.A NE2 HIS 11.A NE2 no hydrogen 2.949 N/A GLN 40.A NE2 ASP 23.A OD1 no hydrogen 3.340 N/A TYR 41.A N VAL 9.A O no hydrogen 2.945 N/A SER 46.A OG TYR 43.A O no hydrogen 2.412 N/A GLN 50.A N SER 46.A O no hydrogen 3.218 N/A GLN 50.A NE2 CYS 45.A O no hydrogen 3.576 N/A LYS 51.A N THR 47.A O no hydrogen 2.933 N/A LYS 52.A N PRO 48.A O no hydrogen 2.865 N/A LYS 52.A NZ ASP 39.A OD2 no hydrogen 3.044 N/A ILE 53.A N GLY 49.A O no hydrogen 2.940 N/A ASP 54.A N GLN 50.A O no hydrogen 2.929 N/A ASP 55.A N LYS 51.A O no hydrogen 2.902 N/A ALA 56.A N LYS 52.A O no hydrogen 2.926 N/A ILE 57.A N ILE 53.A O no hydrogen 2.918 N/A LYS 58.A N ASP 54.A O no hydrogen 2.936 N/A LYS 58.A NZ GLY 86.A O no hydrogen 3.191 N/A GLU 59.A N ASP 55.A O no hydrogen 2.908 N/A TYR 60.A N ALA 56.A O no hydrogen 2.939 N/A LEU 62.A N ILE 57.A O no hydrogen 3.404 N/A THR 63.A N ARG 4.A O no hydrogen 2.609 N/A THR 63.A OG1 GLU 2.A O no hydrogen 3.570 N/A GLY 64.A N ARG 4.A O no hydrogen 2.964 N/A VAL 66.A N GLY 6.A O no hydrogen 2.757 N/A VAL 67.A N GLU 94.A O no hydrogen 2.936 N/A ALA 68.A N PHE 8.A O no hydrogen 2.783 N/A ALA 69.A N ALA 96.A O no hydrogen 2.902 N/A CYS 70.A SG HIS 75.A ND1 no hydrogen 3.648 N/A SER 71.A N GLU 100.A OE1 no hydrogen 3.234 N/A LEU 74.A N SER 71.A O no hydrogen 2.996 N/A HIS 75.A N SER 71.A O no hydrogen 3.453 N/A PHE 79.A N HIS 75.A O no hydrogen 3.496 N/A ARG 80.A N GLU 76.A O no hydrogen 2.879 N/A ARG 80.A NH1 TYR 587.A OH no hydrogen 3.569 N/A ARG 80.A NH2 TYR 587.A OH no hydrogen 3.149 N/A THR 81.A N PRO 77.A O no hydrogen 2.915 N/A THR 81.A OG1 PRO 77.A O no hydrogen 3.009 N/A ALA 82.A N THR 78.A O no hydrogen 2.912 N/A THR 83.A N PHE 79.A O no hydrogen 2.856 N/A THR 83.A OG1 PHE 79.A O no hydrogen 2.949 N/A LYS 84.A N ARG 80.A O no hydrogen 2.914 N/A GLU 85.A N THR 81.A O no hydrogen 2.999 N/A GLY 87.A N LYS 84.A O no hydrogen 3.286 N/A PHE 91.A N ASN 89.A OD1 no hydrogen 3.220 N/A ARG 92.A N ASN 89.A O no hydrogen 3.127 N/A ARG 92.A NH1 THR 63.A O no hydrogen 2.921 N/A GLU 94.A N VAL 65.A O no hydrogen 2.926 N/A ALA 96.A N VAL 67.A O no hydrogen 2.890 N/A ILE 98.A N ALA 69.A O no hydrogen 2.906 N/A ARG 99.A NE GLU 100.A OE1 no hydrogen 3.317 N/A ARG 99.A NH2 GLU 100.A OE2 no hydrogen 2.317 N/A GLU 100.A N ASN 97.A OD1 no hydrogen 3.160 N/A ASN 102.A ND2 ALA 114.A O no hydrogen 3.128 N/A ASN 102.A ND2 GLN 121.A OE1 no hydrogen 3.378 N/A SER 103.A OG ASN 15.A O no hydrogen 2.827 N/A SER 103.A OG ILE 16.A O no hydrogen 3.543 N/A TRP 104.A N ARG 99.A O no hydrogen 3.007 N/A HIS 106.A ND1 VAL 105.A O no hydrogen 2.797 N/A THR 115.A N TRP 111.A O no hydrogen 3.151 N/A THR 115.A OG1 TRP 111.A O no hydrogen 2.724 N/A GLN 116.A N ASP 112.A O no hydrogen 2.919 N/A LYS 117.A N GLU 113.A O no hydrogen 2.915 N/A LYS 117.A NZ GLN 101.A O no hydrogen 3.244 N/A LYS 117.A NZ HIS 106.A NE2 no hydrogen 3.353 N/A ALA 118.A N ALA 114.A O no hydrogen 2.902 N/A LYS 119.A N THR 115.A O no hydrogen 2.909 N/A ASP 120.A N GLN 116.A O no hydrogen 2.944 N/A GLN 121.A N LYS 117.A O no hydrogen 2.896 N/A GLN 121.A NE2 ASN 97.A O no hydrogen 2.771 N/A VAL 122.A N ALA 118.A O no hydrogen 2.910 N/A ARG 123.A N LYS 119.A O no hydrogen 2.903 N/A ARG 123.A NE TYR 28.A OH no hydrogen 2.818 N/A ARG 123.A NH1 ALA 660.A O no hydrogen 2.309 N/A ARG 123.A NH1 PHE 661.A O no hydrogen 3.348 N/A MET 124.A N ASP 120.A O no hydrogen 2.955 N/A ALA 125.A N GLN 121.A O no hydrogen 2.938 N/A VAL 126.A N VAL 122.A O no hydrogen 2.894 N/A ALA 127.A N ARG 123.A O no hydrogen 2.932 N/A LYS 128.A N MET 124.A O no hydrogen 2.974 N/A LYS 128.A NZ HIS 648.A O no hydrogen 2.824 N/A ALA 129.A N ALA 125.A O no hydrogen 2.905 N/A ALA 130.A N VAL 126.A O no hydrogen 2.916 N/A LYS 131.A N LYS 128.A O no hydrogen 3.092 N/A LEU 132.A N ALA 129.A O no hydrogen 3.382 N/A LEU 135.A N ASN 89.A OD1 no hydrogen 3.334 N/A VAL 140.A N VAL 582.A O no hydrogen 2.917 N/A VAL 142.A N GLY 580.A O no hydrogen 3.239 N/A GLU 143.A N GLY 228.A O no hydrogen 3.227 N/A THR 145.A OG1 LYS 332.A O no hydrogen 2.814 N/A ALA 146.A N LYS 168.A O no hydrogen 3.012 N/A MET 147.A N THR 335.A O no hydrogen 2.996 N/A VAL 148.A N TYR 170.A O no hydrogen 2.765 N/A VAL 149.A N VAL 337.A O no hydrogen 2.834 N/A GLY 150.A N ILE 172.A O no hydrogen 2.742 N/A GLY 151.A N GLU 173.A OE2 no hydrogen 2.786 N/A MET 156.A N GLY 152.A O no hydrogen 2.694 N/A GLN 157.A N VAL 153.A O no hydrogen 2.905 N/A ALA 158.A N ALA 154.A O no hydrogen 2.916 N/A ALA 159.A N GLY 155.A O no hydrogen 2.893 N/A LEU 160.A N MET 156.A O no hydrogen 2.908 N/A ASP 161.A N GLN 157.A O no hydrogen 2.903 N/A LEU 162.A N ALA 158.A O no hydrogen 2.926 N/A ALA 163.A N ALA 159.A O no hydrogen 2.893 N/A SER 164.A N LEU 160.A O no hydrogen 2.875 N/A SER 164.A OG LEU 160.A O no hydrogen 2.799 N/A SER 164.A OG ASP 161.A O no hydrogen 3.051 N/A ALA 165.A N ASP 161.A O no hydrogen 2.952 N/A ALA 165.A N LEU 162.A O no hydrogen 3.218 N/A GLY 166.A N ALA 163.A O no hydrogen 2.705 N/A ILE 167.A N LEU 162.A O no hydrogen 3.146 N/A THR 169.A N ASN 211.A O no hydrogen 2.836 N/A THR 169.A OG1 ILE 167.A O no hydrogen 3.187 N/A TYR 170.A N ALA 146.A O no hydrogen 2.879 N/A LEU 171.A N GLU 213.A O no hydrogen 2.908 N/A ILE 172.A N VAL 148.A O no hydrogen 2.830 N/A GLU 173.A N MET 215.A O no hydrogen 2.933 N/A ARG 174.A NH1 GLU 511.A O no hydrogen 2.919 N/A THR 175.A N GLU 173.A OE1 no hydrogen 2.883 N/A THR 175.A OG1 THR 177.A O no hydrogen 2.290 N/A ARG 181.A NE TYR 342.A O no hydrogen 3.263 N/A ARG 181.A NH1 TYR 342.A O no hydrogen 3.134 N/A ARG 181.A NH2 GLN 184.A OE1 no hydrogen 3.126 N/A SER 183.A N GLY 180.A O no hydrogen 3.254 N/A SER 183.A OG GLN 196.A OE1 no hydrogen 2.905 N/A SER 183.A OG HIS 289.A NE2 no hydrogen 3.196 N/A GLN 184.A N ARG 181.A O no hydrogen 2.790 N/A GLN 184.A NE2 PHE 275.A O no hydrogen 3.532 N/A LEU 185.A N MET 182.A O no hydrogen 3.288 N/A ASP 186.A N GLU 368.A OE1 no hydrogen 3.010 N/A THR 188.A N ASP 193.A O no hydrogen 3.136 N/A THR 188.A OG1 ASP 193.A O no hydrogen 2.909 N/A THR 191.A OG1 ASP 193.A OD2 no hydrogen 2.771 N/A LEU 192.A N THR 188.A O no hydrogen 2.566 N/A SER 195.A N ASP 186.A O no hydrogen 3.341 N/A SER 195.A OG MET 182.A O no hydrogen 2.672 N/A SER 195.A OG LEU 185.A O no hydrogen 2.709 N/A ILE 198.A N CYS 194.A O no hydrogen 3.250 N/A LEU 199.A N SER 195.A O no hydrogen 2.977 N/A LEU 199.A N GLN 196.A O no hydrogen 3.161 N/A THR 200.A N GLN 196.A O no hydrogen 2.718 N/A THR 200.A OG1 GLN 196.A O no hydrogen 2.695 N/A MET 203.A N LEU 199.A O no hydrogen 2.989 N/A VAL 204.A N THR 200.A O no hydrogen 2.921 N/A ASP 205.A N PRO 201.A O no hydrogen 2.901 N/A VAL 206.A N LYS 202.A O no hydrogen 2.932 N/A GLY 207.A N MET 203.A O no hydrogen 2.916 N/A ARG 208.A N VAL 204.A O no hydrogen 2.913 N/A HIS 209.A N ASP 205.A O no hydrogen 3.060 N/A ASN 211.A N HIS 209.A ND1 no hydrogen 3.345 N/A ASN 211.A ND2 ALA 163.A O no hydrogen 3.231 N/A GLU 213.A N THR 169.A O no hydrogen 2.874 N/A MET 215.A N LEU 171.A O no hydrogen 2.899 N/A THR 216.A OG1 PRO 176.A O no hydrogen 3.507 N/A TYR 217.A N THR 175.A O no hydrogen 2.928 N/A THR 218.A N GLU 173.A O no hydrogen 2.952 N/A THR 218.A OG1 ARG 235.A O no hydrogen 2.320 N/A GLU 219.A N ARG 235.A O no hydrogen 3.381 N/A GLU 221.A N THR 233.A O no hydrogen 2.713 N/A LYS 222.A N THR 233.A O no hydrogen 2.998 N/A GLU 224.A N ASP 231.A O no hydrogen 2.938 N/A TYR 226.A N ASN 229.A O no hydrogen 3.280 N/A PHE 230.A N VAL 333.A O no hydrogen 2.867 N/A ASP 231.A N GLU 224.A O no hydrogen 2.868 N/A VAL 232.A N VAL 331.A O no hydrogen 2.929 N/A THR 233.A N LYS 222.A O no hydrogen 2.862 N/A LEU 234.A N ILE 329.A O no hydrogen 2.877 N/A ARG 235.A N GLU 219.A O no hydrogen 3.137 N/A ARG 235.A NE GLU 221.A OE1 no hydrogen 2.647 N/A ARG 235.A NH2 GLU 221.A OE1 no hydrogen 2.939 N/A LYS 236.A N GLU 327.A O no hydrogen 2.846 N/A LYS 237.A N TYR 217.A O no hydrogen 3.312 N/A LYS 237.A NZ ARG 174.A O no hydrogen 3.339 N/A LYS 237.A NZ GLU 219.A OE1 no hydrogen 3.203 N/A ALA 238.A N ASP 326.A OD1 no hydrogen 2.456 N/A LEU 242.A N ALA 319.A O no hydrogen 2.737 N/A GLU 246.A N THR 243.A OG1 no hydrogen 3.258 N/A ALA 247.A N THR 243.A O no hydrogen 2.670 N/A THR 248.A N PRO 244.A O no hydrogen 2.902 N/A THR 248.A OG1 PRO 244.A O no hydrogen 3.065 N/A THR 248.A OG1 THR 245.A O no hydrogen 2.542 N/A ALA 249.A N THR 245.A O no hydrogen 2.936 N/A LYS 250.A N GLU 246.A O no hydrogen 2.868 N/A GLY 251.A N ALA 247.A O no hydrogen 3.114 N/A CYS 257.A SG LEU 295.A O no hydrogen 3.918 N/A CYS 257.A SG ILE 296.A O no hydrogen 3.143 N/A ALA 265.A N GLY 261.A O no hydrogen 3.220 N/A VAL 266.A N ASP 262.A O no hydrogen 3.014 N/A VAL 266.A N CYS 263.A O no hydrogen 3.072 N/A CYS 267.A N CYS 263.A O no hydrogen 2.980 N/A LYS 271.A N ARG 282.A O no hydrogen 2.762 N/A ASN 273.A N ALA 280.A O no hydrogen 2.968 N/A ASN 273.A ND2 TYR 288.A O no hydrogen 3.346 N/A PHE 275.A N ASN 273.A OD1 no hydrogen 3.077 N/A MET 277.A N PRO 274.A O no hydrogen 3.088 N/A GLY 278.A N ASN 273.A O no hydrogen 2.805 N/A MET 279.A N GLU 276.A O no hydrogen 3.052 N/A ARG 282.A N LYS 271.A O no hydrogen 2.754 N/A ARG 282.A NH1 LYS 283.A O no hydrogen 2.955 N/A ARG 282.A NH1 ASP 300.A OD2 no hydrogen 3.399 N/A ARG 282.A NH2 ASP 300.A OD2 no hydrogen 2.874 N/A LYS 283.A NZ SER 264.A O no hydrogen 2.466 N/A LYS 283.A NZ CYS 267.A O no hydrogen 2.799 N/A TYR 286.A N THR 298.A O no hydrogen 2.781 N/A VAL 299.A N ARG 239.A O no hydrogen 3.275 N/A ASP 300.A N ALA 284.A O no hydrogen 2.497 N/A SER 303.A N ASP 300.A O no hydrogen 3.219 N/A CYS 304.A N ASP 300.A O no hydrogen 2.806 N/A GLU 312.A N GLU 312.A OE1 no hydrogen 2.640 N/A ALA 313.A N LEU 309.A O no hydrogen 2.980 N/A CYS 314.A N VAL 311.A O no hydrogen 3.231 N/A GLY 315.A N GLU 312.A O no hydrogen 3.333 N/A LYS 317.A N CYS 314.A O no hydrogen 3.233 N/A LYS 318.A N CYS 314.A O no hydrogen 3.268 N/A ASP 321.A N GLY 240.A O no hydrogen 2.936 N/A GLU 323.A N ASP 321.A OD1 no hydrogen 3.278 N/A GLN 325.A NE2 GLU 323.A O no hydrogen 3.523 N/A GLU 327.A N LYS 236.A O no hydrogen 2.942 N/A ILE 329.A N LEU 234.A O no hydrogen 2.899 N/A VAL 331.A N VAL 232.A O no hydrogen 2.877 N/A VAL 333.A N PHE 230.A O no hydrogen 2.916 N/A GLY 334.A N THR 145.A O no hydrogen 2.870 N/A THR 335.A OG1 ALA 573.A O no hydrogen 3.534 N/A ALA 336.A N GLY 546.A O no hydrogen 2.958 N/A VAL 337.A N MET 147.A O no hydrogen 2.759 N/A LEU 338.A N PHE 548.A O no hydrogen 2.866 N/A ALA 339.A N VAL 149.A O no hydrogen 2.799 N/A GLU 343.A N GLN 508.A O no hydrogen 2.700 N/A PHE 345.A N ALA 506.A O no hydrogen 2.828 N/A LYS 350.A NZ ASP 403.A OD2 no hydrogen 2.516 N/A LYS 350.A NZ THR 405.A OG1 no hydrogen 3.383 N/A GLU 352.A N GLU 352.A OE1 no hydrogen 2.597 N/A TRP 353.A N LYS 350.A O no hydrogen 3.243 N/A TYR 355.A N TRP 353.A O no hydrogen 2.793 N/A TYR 355.A OH GLU 366.A OE1 no hydrogen 3.424 N/A TYR 355.A OH GLU 366.A OE2 no hydrogen 3.215 N/A GLN 357.A N GLN 357.A OE1 no hydrogen 2.730 N/A GLN 357.A NE2 ARG 351.A O no hydrogen 3.292 N/A PHE 358.A N GLY 354.A O no hydrogen 3.007 N/A ASN 360.A ND2 LYS 479.A O no hydrogen 2.495 N/A ILE 362.A N LEU 501.A O no hydrogen 2.977 N/A ASN 363.A N GLU 366.A OE1 no hydrogen 3.090 N/A ASN 363.A ND2 TYR 355.A OH no hydrogen 2.936 N/A GLU 366.A N ASN 363.A OD1 no hydrogen 2.902 N/A PHE 367.A N ASN 363.A O no hydrogen 3.012 N/A GLU 368.A N ALA 364.A O no hydrogen 2.898 N/A ARG 369.A N LEU 365.A O no hydrogen 2.966 N/A ARG 369.A NE GLU 276.A OE1 no hydrogen 2.976 N/A ARG 369.A NH1 GLN 184.A O no hydrogen 2.711 N/A ARG 369.A NH2 GLU 276.A OE1 no hydrogen 2.986 N/A ARG 369.A NH2 SER 374.A OG no hydrogen 3.126 N/A LEU 370.A N GLU 366.A O no hydrogen 2.889 N/A ILE 371.A N PHE 367.A O no hydrogen 2.932 N/A CYS 372.A N GLU 368.A O no hydrogen 3.039 N/A CYS 372.A SG ASP 186.A OD2 no hydrogen 3.499 N/A CYS 372.A SG SER 374.A OG no hydrogen 3.330 N/A GLY 375.A N CYS 372.A O no hydrogen 3.195 N/A ARG 383.A N LYS 388.A O no hydrogen 2.958 N/A ARG 383.A NE ASP 386.A OD1 no hydrogen 3.334 N/A ARG 383.A NH1 LYS 479.A O no hydrogen 3.478 N/A ARG 383.A NH1 ASP 499.A O no hydrogen 2.942 N/A SER 385.A N ASN 360.A OD1 no hydrogen 3.014 N/A SER 385.A OG ASP 386.A OD1 no hydrogen 2.684 N/A GLY 387.A N ARG 383.A O no hydrogen 2.725 N/A MET 391.A N ASP 499.A OD1 no hydrogen 2.923 N/A LYS 392.A NZ TYR 437.A OH no hydrogen 2.646 N/A VAL 393.A N VAL 435.A O no hydrogen 3.306 N/A GLY 394.A N LEU 500.A O no hydrogen 2.881 N/A PHE 395.A N TYR 437.A O no hydrogen 2.762 N/A VAL 396.A N VAL 502.A O no hydrogen 2.899 N/A LEU 397.A N PHE 439.A O no hydrogen 3.217 N/A ALA 399.A N ALA 504.A O no hydrogen 3.289 N/A SER 401.A N CYS 398.A O no hydrogen 2.868 N/A ARG 402.A N TYR 411.A O no hydrogen 3.073 N/A ARG 402.A NH1 MET 441.A O no hydrogen 2.750 N/A ASP 403.A N LYS 409.A O no hydrogen 2.666 N/A THR 405.A N ASP 403.A OD1 no hydrogen 2.889 N/A THR 405.A OG1 ASP 403.A OD1 no hydrogen 2.542 N/A THR 405.A OG1 ASP 403.A OD2 no hydrogen 3.519 N/A LYS 409.A N GLY 400.A O no hydrogen 2.722 N/A LYS 409.A NZ GLN 508.A OE1 no hydrogen 3.453 N/A TYR 411.A OH VAL 507.A O no hydrogen 2.620 N/A ARG 414.A NH2 ASP 561.A OD2 no hydrogen 2.820 N/A PHE 415.A N SER 413.A O no hydrogen 2.769 N/A CYS 417.A SG ASP 442.A O no hydrogen 3.774 N/A TYR 419.A N PHE 415.A O no hydrogen 3.028 N/A SER 420.A N CYS 416.A O no hydrogen 3.068 N/A SER 420.A OG CYS 416.A O no hydrogen 2.647 N/A LEU 421.A N CYS 417.A O no hydrogen 3.085 N/A LYS 422.A N MET 418.A O no hydrogen 2.943 N/A LYS 422.A NZ LYS 187.A O no hydrogen 2.790 N/A LYS 422.A NZ GLU 368.A OE1 no hydrogen 3.486 N/A LYS 422.A NZ GLU 368.A OE2 no hydrogen 2.459 N/A HIS 423.A N TYR 419.A O no hydrogen 2.859 N/A HIS 423.A NE2 GLU 368.A OE2 no hydrogen 2.805 N/A ALA 424.A N SER 420.A O no hydrogen 2.917 N/A HIS 425.A N LEU 421.A O no hydrogen 2.942 N/A GLN 426.A N LYS 422.A O no hydrogen 2.912 N/A ILE 427.A N HIS 423.A O no hydrogen 2.933 N/A MET 428.A N ALA 424.A O no hydrogen 2.971 N/A GLU 429.A N HIS 425.A O no hydrogen 2.911 N/A LYS 430.A N GLN 426.A O no hydrogen 2.900 N/A LYS 430.A NZ ILE 371.A O no hydrogen 2.808 N/A LYS 430.A NZ GLY 379.A O no hydrogen 2.678 N/A ILE 431.A N ILE 427.A O no hydrogen 3.169 N/A ALA 434.A N ILE 431.A O no hydrogen 3.361 N/A VAL 435.A N MET 391.A O no hydrogen 3.233 N/A TYR 437.A N VAL 393.A O no hydrogen 2.936 N/A LEU 438.A N LYS 463.A O no hydrogen 2.916 N/A PHE 439.A N PHE 395.A O no hydrogen 2.904 N/A TYR 440.A N ILE 465.A O no hydrogen 2.986 N/A SER 445.A OG GLU 451.A OE2 no hydrogen 2.977 N/A TYR 450.A N GLY 447.A O no hydrogen 3.134 N/A TYR 450.A OH ASP 558.A OD2 no hydrogen 2.543 N/A PHE 453.A N MET 449.A O no hydrogen 3.362 N/A TYR 454.A N TYR 450.A O no hydrogen 2.950 N/A TYR 455.A N GLU 451.A O no hydrogen 2.897 N/A ARG 456.A N GLU 452.A O no hydrogen 2.910 N/A ILE 457.A N PHE 453.A O no hydrogen 2.891 N/A GLN 458.A N TYR 454.A O no hydrogen 2.985 N/A HIS 459.A N TYR 455.A O no hydrogen 2.889 N/A GLU 460.A N ARG 456.A O no hydrogen 2.920 N/A GLY 461.A N GLN 458.A O no hydrogen 3.160 N/A ALA 462.A N ILE 457.A O no hydrogen 3.355 N/A LYS 463.A N ALA 436.A O no hydrogen 3.000 N/A ILE 465.A N LEU 438.A O no hydrogen 3.103 N/A ARG 466.A NH1 THR 488.A OG1 no hydrogen 3.150 N/A GLY 467.A N ILE 465.A O no hydrogen 2.965 N/A ALA 470.A N PHE 484.A O no hydrogen 2.726 N/A ASN 471.A N PHE 484.A O no hydrogen 3.047 N/A VAL 472.A N GLU 352.A O no hydrogen 3.040 N/A LEU 473.A N HIS 482.A O no hydrogen 2.916 N/A ASP 475.A N ASN 480.A O no hydrogen 3.152 N/A LYS 476.A NZ GLU 474.A OE2 no hydrogen 3.189 N/A THR 478.A N ASP 475.A OD2 no hydrogen 2.609 N/A THR 478.A OG1 ASP 475.A OD2 no hydrogen 3.033 N/A ASN 480.A N THR 478.A O no hydrogen 2.525 N/A LEU 481.A N VAL 498.A O no hydrogen 2.880 N/A HIS 482.A N LEU 473.A O no hydrogen 2.846 N/A VAL 483.A N VAL 496.A O no hydrogen 2.887 N/A PHE 484.A N ASN 471.A O no hydrogen 2.899 N/A THR 485.A N VAL 494.A O no hydrogen 3.022 N/A THR 485.A OG1 ARG 468.A O no hydrogen 2.557 N/A THR 485.A OG1 GLU 486.A O no hydrogen 3.448 N/A GLU 486.A N THR 485.A OG1 no hydrogen 2.521 N/A ASP 487.A N ARG 492.A O no hydrogen 2.879 N/A THR 488.A N ARG 466.A O no hydrogen 3.153 N/A THR 488.A OG1 ARG 466.A O no hydrogen 2.932 N/A GLY 491.A N THR 488.A O no hydrogen 3.107 N/A ARG 492.A N ASP 487.A O no hydrogen 2.985 N/A VAL 494.A N THR 485.A O no hydrogen 2.870 N/A VAL 496.A N VAL 483.A O no hydrogen 2.893 N/A VAL 498.A N LEU 481.A O no hydrogen 2.976 N/A ASP 499.A N LYS 392.A O no hydrogen 2.642 N/A LEU 500.A N LYS 392.A O no hydrogen 2.974 N/A LEU 501.A N ASN 360.A O no hydrogen 3.132 N/A VAL 502.A N GLY 394.A O no hydrogen 2.895 N/A LEU 503.A N ILE 362.A O no hydrogen 2.856 N/A ALA 504.A N VAL 396.A O no hydrogen 2.908 N/A ALA 506.A N ALA 399.A O no hydrogen 3.162 N/A VAL 507.A N SER 413.A OG no hydrogen 3.133 N/A GLN 508.A N GLU 343.A O no hydrogen 2.966 N/A GLN 508.A NE2 LEU 344.A O no hydrogen 3.566 N/A ALA 513.A N ASN 510.A O no hydrogen 3.155 N/A LEU 516.A N GLY 512.A O no hydrogen 3.257 N/A ARG 517.A N ALA 513.A O no hydrogen 2.904 N/A ARG 517.A NE ASN 514.A OD1 no hydrogen 2.908 N/A ARG 517.A NH1 VAL 522.A O no hydrogen 3.518 N/A ARG 517.A NH2 ASN 514.A OD1 no hydrogen 3.342 N/A LYS 518.A N ASN 514.A O no hydrogen 2.927 N/A LYS 519.A N GLU 515.A O no hydrogen 2.923 N/A LYS 519.A NZ VAL 220.A O no hydrogen 3.284 N/A LYS 519.A NZ GLU 221.A O no hydrogen 2.861 N/A PHE 520.A N LEU 516.A O no hydrogen 3.133 N/A GLY 521.A N LYS 518.A O no hydrogen 3.107 N/A VAL 522.A N ARG 517.A O no hydrogen 2.755 N/A SER 525.A N TRP 529.A O no hydrogen 2.432 N/A SER 525.A OG GLN 526.A OE1 no hydrogen 3.038 N/A GLN 526.A N GLN 526.A OE1 no hydrogen 2.644 N/A GLY 528.A N SER 525.A O no hydrogen 2.880 N/A MET 530.A N CYS 553.A O no hydrogen 3.374 N/A LEU 531.A N SER 523.A O no hydrogen 2.827 N/A ALA 533.A N GLY 541.A O no hydrogen 3.109 N/A LYS 536.A N HIS 534.A ND1 no hydrogen 3.062 N/A LEU 537.A N HIS 534.A ND1 no hydrogen 3.268 N/A ASN 538.A N HIS 534.A O no hydrogen 3.353 N/A GLY 541.A N ASN 538.A OD1 no hydrogen 2.901 N/A PHE 548.A N ALA 336.A O no hydrogen 2.984 N/A LEU 549.A N CYS 540.A O no hydrogen 2.783 N/A ALA 550.A N LEU 338.A O no hydrogen 2.967 N/A CYS 553.A SG LEU 338.A O no hydrogen 3.220 N/A CYS 553.A SG ALA 550.A O no hydrogen 3.261 N/A GLN 554.A N GLY 551.A O no hydrogen 2.920 N/A GLY 555.A N VAL 552.A O no hydrogen 2.555 N/A LYS 557.A NZ GLN 554.A OE1 no hydrogen 2.299 N/A LYS 557.A NZ GLY 555.A O no hydrogen 3.257 N/A THR 562.A N ASP 558.A O no hydrogen 2.802 N/A THR 562.A OG1 ASP 558.A O no hydrogen 2.874 N/A VAL 563.A N ILE 559.A O no hydrogen 2.878 N/A ALA 564.A N PRO 560.A O no hydrogen 2.936 N/A GLN 565.A N ASP 561.A O no hydrogen 2.916 N/A GLN 565.A NE2 PRO 539.A O no hydrogen 3.366 N/A ALA 566.A N THR 562.A O no hydrogen 2.875 N/A GLU 567.A N VAL 563.A O no hydrogen 2.915 N/A GLY 568.A N ALA 564.A O no hydrogen 2.945 N/A ALA 569.A N GLN 565.A O no hydrogen 2.904 N/A ALA 570.A N ALA 566.A O no hydrogen 2.889 N/A SER 571.A N GLU 567.A O no hydrogen 2.935 N/A ALA 572.A N GLY 568.A O no hydrogen 2.949 N/A ALA 573.A N ALA 569.A O no hydrogen 2.896 N/A SER 574.A N ALA 570.A O no hydrogen 2.877 N/A SER 574.A OG ALA 570.A O no hydrogen 3.263 N/A SER 574.A OG SER 571.A O no hydrogen 2.772 N/A ILE 575.A N SER 571.A O no hydrogen 2.998 N/A HIS 578.A N SER 574.A O no hydrogen 2.707 N/A MET 579.A N ILE 575.A O no hydrogen 2.988 N/A GLY 580.A N PRO 576.A O no hydrogen 2.863 N/A VAL 582.A N VAL 140.A O no hydrogen 2.924 N/A LEU 584.A N LYS 138.A O no hydrogen 3.089 N/A MET 590.A N LYS 645.A O no hydrogen 2.909 N/A CYS 591.A SG MET 622.A O no hydrogen 3.585 N/A CYS 591.A SG ALA 643.A O no hydrogen 3.828 N/A ILE 592.A N ALA 643.A O no hydrogen 2.828 N/A LEU 595.A N ILE 592.A O no hydrogen 2.779 N/A CYS 596.A N ILE 592.A O no hydrogen 3.267 N/A VAL 603.A N GLY 600.A O no hydrogen 3.455 N/A LEU 605.A N CYS 602.A O no hydrogen 3.006 N/A SER 609.A N CYS 606.A O no hydrogen 3.391 N/A SER 612.A N VAL 623.A O no hydrogen 3.074 N/A GLY 614.A N VAL 621.A O no hydrogen 2.737 N/A LYS 616.A N ARG 619.A O no hydrogen 2.797 N/A ARG 619.A N LYS 616.A O no hydrogen 3.140 N/A THR 620.A OG1 GLU 615.A OE2 no hydrogen 2.815 N/A VAL 621.A N GLY 614.A O no hydrogen 2.844 N/A VAL 623.A N SER 612.A O no hydrogen 2.691 N/A THR 625.A N ALA 610.A O no hydrogen 3.127 N/A THR 625.A OG1 ALA 610.A O no hydrogen 3.348 N/A GLU 626.A N GLU 626.A OE1 no hydrogen 2.819 N/A LYS 628.A N THR 625.A O no hydrogen 2.873 N/A LYS 628.A NZ SER 609.A O no hydrogen 3.554 N/A CYS 629.A N THR 625.A O no hydrogen 3.275 N/A CYS 632.A SG THR 634.A OG1 no hydrogen 3.165 N/A GLY 637.A N GLY 633.A O no hydrogen 3.085 N/A PHE 638.A N CYS 635.A O no hydrogen 3.017 N/A CYS 639.A N CYS 635.A O no hydrogen 3.159 N/A GLY 642.A N CYS 639.A O no hydrogen 3.380 N/A LYS 645.A N MET 590.A O no hydrogen 2.696 N/A GLN 647.A NE2 PHE 588.A O no hydrogen 3.428 N/A PHE 649.A N MET 646.A O no hydrogen 2.992 N/A ILE 654.A N THR 650.A O no hydrogen 3.026 N/A VAL 655.A N THR 651.A O no hydrogen 3.004 N/A ALA 656.A N PRO 652.A O no hydrogen 3.044 N/A GLN 657.A N GLN 653.A O no hydrogen 3.164 N/A ILE 658.A N ILE 654.A O no hydrogen 3.028 N/A ASP 659.A N VAL 655.A O no hydrogen 2.744 N/A ALA 660.A N ALA 656.A O no hydrogen 3.044 N/A PHE 661.A N GLN 657.A O no hydrogen 3.054 N/A PHE 662.A N ASP 659.A O no hydrogen 3.290 N/A ALA 663.A N ALA 660.A O no hydrogen 3.259 N/A