Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ekm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 7.A N ASP 10.A OD2 no hydrogen 2.867 N/A ASP 10.A N HIS 7.A O no hydrogen 2.893 N/A SER 13.A N GLU 16.A OE1 no hydrogen 2.740 N/A SER 13.A OG GLU 16.A OE1 no hydrogen 3.520 N/A GLU 16.A N SER 13.A OG no hydrogen 3.087 N/A ILE 17.A N SER 13.A O no hydrogen 2.946 N/A LYS 18.A N THR 14.A O no hydrogen 3.041 N/A LYS 18.A NZ ASP 339.A OD1 no hydrogen 2.980 N/A ALA 19.A N ALA 15.A O no hydrogen 2.993 N/A ALA 20.A N GLU 16.A O no hydrogen 2.872 N/A THR 21.A N ILE 17.A O no hydrogen 2.902 N/A THR 21.A OG1 ILE 17.A O no hydrogen 3.318 N/A THR 21.A OG1 LYS 18.A O no hydrogen 2.965 N/A THR 21.A OG1 GLY 338.A O no hydrogen 2.711 N/A ASN 22.A N LYS 18.A O no hydrogen 2.764 N/A THR 23.A N ALA 19.A O no hydrogen 2.973 N/A THR 23.A OG1 ALA 19.A O no hydrogen 2.750 N/A VAL 24.A N ALA 20.A O no hydrogen 2.977 N/A LYS 25.A N THR 21.A O no hydrogen 2.825 N/A LYS 25.A NZ ASN 22.A OD1 no hydrogen 3.559 N/A SER 26.A N ASN 22.A O no hydrogen 2.907 N/A TYR 27.A N THR 23.A O no hydrogen 2.953 N/A PHE 28.A N VAL 24.A O no hydrogen 2.959 N/A ALA 29.A N SER 26.A O no hydrogen 2.961 N/A SER 34.A N LEU 68.A O no hydrogen 2.960 N/A PHE 35.A N ARG 336.A O no hydrogen 2.705 N/A ASN 36.A N VAL 66.A O no hydrogen 2.908 N/A ASN 36.A ND2 ILE 99.A O no hydrogen 2.699 N/A THR 37.A N VAL 66.A O no hydrogen 3.213 N/A THR 37.A OG1 ASN 36.A OD1 no hydrogen 2.548 N/A THR 39.A N TYR 64.A O no hydrogen 2.878 N/A ARG 41.A N LEU 62.A O no hydrogen 2.983 N/A ARG 45.A N ASP 561.A OD1 no hydrogen 3.175 N/A ARG 45.A NE ASP 449.A OD1 no hydrogen 2.998 N/A ARG 45.A NE ASP 449.A OD2 no hydrogen 2.991 N/A ARG 45.A NH2 ASP 449.A OD1 no hydrogen 3.109 N/A TYR 48.A N ALA 44.A O no hydrogen 2.945 N/A TYR 48.A OH HIS 7.A NE2 no hydrogen 3.142 N/A TYR 48.A OH ASP 264.A OD2 no hydrogen 2.597 N/A ILE 49.A N ARG 45.A O no hydrogen 2.941 N/A GLN 50.A N LYS 46.A O no hydrogen 2.837 N/A TRP 51.A N ALA 47.A O no hydrogen 2.843 N/A LYS 52.A N TYR 48.A O no hydrogen 2.793 N/A GLU 53.A N ILE 49.A O no hydrogen 2.795 N/A GLN 54.A N GLN 50.A O no hydrogen 2.784 N/A GLY 56.A N GLN 50.A O no hydrogen 2.915 N/A ARG 61.A NE GLU 16.A OE2 no hydrogen 2.853 N/A ARG 61.A NH1 ASP 10.A O no hydrogen 2.850 N/A ARG 61.A NH2 ASP 10.A O no hydrogen 3.005 N/A ARG 61.A NH2 PRO 11.A O no hydrogen 3.172 N/A ARG 61.A NH2 GLU 16.A OE1 no hydrogen 2.810 N/A ARG 61.A NH2 GLU 16.A OE2 no hydrogen 3.343 N/A ALA 63.A N VAL 80.A O no hydrogen 3.013 N/A TYR 64.A N THR 39.A O no hydrogen 2.682 N/A TYR 64.A OH GLU 77.A OE1 no hydrogen 2.732 N/A TYR 65.A N GLY 78.A O no hydrogen 3.076 N/A TYR 65.A OH THR 90.A OG1 no hydrogen 3.180 N/A VAL 66.A N THR 37.A O no hydrogen 2.813 N/A ILE 67.A N LYS 76.A O no hydrogen 2.785 N/A LEU 68.A N SER 34.A O no hydrogen 2.960 N/A ALA 70.A N LYS 32.A O no hydrogen 3.073 N/A GLY 71.A N GLU 183.A OE2 no hydrogen 3.436 N/A LYS 72.A N GLU 69.A O no hydrogen 2.858 N/A LYS 72.A NZ GLU 69.A OE2 no hydrogen 3.401 N/A VAL 75.A N LEU 93.A O no hydrogen 2.927 N/A LYS 76.A N ILE 67.A O no hydrogen 2.972 N/A LYS 76.A NZ GLU 69.A OE1 no hydrogen 2.749 N/A GLU 77.A N ARG 91.A O no hydrogen 2.985 N/A GLY 78.A N TYR 65.A O no hydrogen 3.162 N/A LEU 79.A N GLU 89.A O no hydrogen 2.844 N/A VAL 80.A N ALA 63.A O no hydrogen 2.887 N/A ASP 81.A N SER 86.A O no hydrogen 2.825 N/A LEU 82.A N ARG 61.A O no hydrogen 3.167 N/A SER 84.A N ASP 81.A OD2 no hydrogen 2.880 N/A SER 84.A OG ASP 81.A OD2 no hydrogen 2.625 N/A SER 84.A OG SER 86.A OG no hydrogen 2.889 N/A LEU 85.A N LEU 82.A O no hydrogen 3.199 N/A SER 86.A N ASP 81.A O no hydrogen 3.234 N/A SER 86.A OG SER 84.A OG no hydrogen 2.889 N/A ILE 88.A N LEU 79.A O no hydrogen 2.803 N/A THR 90.A OG1 TYR 65.A OH no hydrogen 3.180 N/A THR 90.A OG1 GLU 77.A O no hydrogen 3.509 N/A ARG 91.A N GLU 77.A O no hydrogen 2.921 N/A ARG 91.A NE GLU 77.A OE2 no hydrogen 2.913 N/A ARG 91.A NH2 GLU 77.A OE2 no hydrogen 3.068 N/A LEU 93.A N VAL 75.A O no hydrogen 2.892 N/A GLN 97.A NE2 THR 150.A O no hydrogen 2.867 N/A LEU 100.A N GLU 306.A O no hydrogen 2.979 N/A THR 101.A N ASP 104.A OD1 no hydrogen 2.979 N/A ASP 104.A N THR 101.A OG1 no hydrogen 3.187 N/A LEU 105.A N THR 101.A O no hydrogen 3.055 N/A CYS 106.A N VAL 102.A O no hydrogen 2.604 N/A SER 107.A N LEU 105.A O no hydrogen 2.614 N/A THR 108.A N LEU 105.A O no hydrogen 3.032 N/A THR 108.A OG1 LEU 105.A O no hydrogen 3.500 N/A THR 108.A OG1 GLN 155.A OE1 no hydrogen 2.605 N/A VAL 111.A N SER 107.A O no hydrogen 3.320 N/A ILE 112.A N THR 108.A O no hydrogen 3.043 N/A ARG 113.A N GLU 109.A O no hydrogen 3.080 N/A ARG 113.A NE VAL 135.A O no hydrogen 2.755 N/A ARG 113.A NH1 GLU 110.A OE1 no hydrogen 3.249 N/A ARG 113.A NH2 VAL 135.A O no hydrogen 3.010 N/A ASN 114.A N GLU 110.A O no hydrogen 3.124 N/A ASN 114.A N VAL 111.A O no hydrogen 3.336 N/A ASN 114.A ND2 GLU 110.A O no hydrogen 2.878 N/A ASP 115.A N ILE 112.A O no hydrogen 3.133 N/A VAL 118.A N ASP 115.A OD2 no hydrogen 2.957 N/A ILE 119.A N ASP 115.A O no hydrogen 2.826 N/A GLU 120.A N PRO 116.A O no hydrogen 2.923 N/A GLN 121.A N ALA 117.A O no hydrogen 3.121 N/A CYS 122.A N VAL 118.A O no hydrogen 2.886 N/A CYS 122.A SG VAL 118.A O no hydrogen 3.479 N/A VAL 123.A N ILE 119.A O no hydrogen 2.890 N/A LEU 124.A N GLU 120.A O no hydrogen 2.922 N/A SER 125.A N GLN 121.A O no hydrogen 2.844 N/A SER 125.A OG GLN 121.A O no hydrogen 2.871 N/A GLY 126.A N VAL 123.A O no hydrogen 2.975 N/A ILE 127.A N CYS 122.A O no hydrogen 2.884 N/A GLU 131.A N PRO 128.A O no hydrogen 2.813 N/A LYS 134.A N GLU 131.A O no hydrogen 2.819 N/A VAL 135.A N MET 132.A O no hydrogen 2.907 N/A TYR 136.A N TYR 160.A O no hydrogen 2.683 N/A CYS 137.A N GLU 109.A OE2 no hydrogen 2.897 N/A ASP 138.A N LEU 158.A O no hydrogen 3.033 N/A TRP 140.A N GLN 156.A O no hydrogen 2.924 N/A THR 141.A N TYR 307.A OH no hydrogen 2.889 N/A THR 141.A OG1 GLU 306.A OE1 no hydrogen 3.478 N/A THR 141.A OG1 TYR 307.A OH no hydrogen 3.352 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.675 N/A ARG 147.A N ASP 145.A OD1 no hydrogen 2.863 N/A ARG 147.A NE ASP 145.A OD1 no hydrogen 3.045 N/A ARG 147.A NE ASP 145.A OD2 no hydrogen 3.365 N/A ARG 147.A NH1 ASP 191.A OD1 no hydrogen 3.064 N/A ARG 147.A NH2 ASP 145.A OD2 no hydrogen 2.854 N/A ARG 147.A NH2 ASP 191.A OD1 no hydrogen 2.989 N/A ARG 147.A NH2 ASP 191.A OD2 no hydrogen 3.246 N/A TRP 148.A N ASP 145.A O no hydrogen 2.941 N/A GLY 149.A N ASP 145.A O no hydrogen 3.048 N/A THR 150.A OG1 THR 95.A O no hydrogen 2.924 N/A GLY 151.A N TRP 148.A O no hydrogen 2.999 N/A ARG 153.A NH1 ASP 104.A OD1 no hydrogen 3.244 N/A ARG 153.A NH2 PRO 98.A O no hydrogen 3.416 N/A ARG 153.A NH2 ASP 104.A OD1 no hydrogen 2.856 N/A LEU 154.A N GLN 573.A OE1 no hydrogen 2.873 N/A GLN 155.A N VAL 180.A O no hydrogen 2.882 N/A GLN 155.A NE2 ASP 104.A O no hydrogen 2.881 N/A GLN 155.A NE2 THR 182.A OG1 no hydrogen 3.288 N/A GLN 156.A N TRP 140.A O no hydrogen 2.897 N/A GLN 156.A NE2 THR 141.A O no hydrogen 2.843 N/A GLN 156.A NE2 ARG 298.A O no hydrogen 3.090 N/A ALA 157.A N PRO 178.A O no hydrogen 3.037 N/A LEU 158.A N ASP 138.A O no hydrogen 3.240 N/A TYR 160.A N TYR 136.A O no hydrogen 2.655 N/A TYR 160.A OH THR 415.A O no hydrogen 2.795 N/A TYR 161.A N HIS 172.A O no hydrogen 2.907 N/A ARG 162.A N LYS 134.A O no hydrogen 2.901 N/A ARG 162.A NE GLN 169.A OE1 no hydrogen 3.018 N/A ARG 162.A NH1 GLU 165.A O no hydrogen 2.881 N/A ARG 162.A NH2 GLN 169.A OE1 no hydrogen 2.982 N/A SER 163.A OG ASP 167.A OD2 no hydrogen 2.780 N/A ASP 164.A N ASP 167.A OD2 no hydrogen 2.868 N/A ASP 166.A N ASP 164.A OD2 no hydrogen 2.892 N/A ASP 167.A N ASP 164.A O no hydrogen 2.764 N/A SER 168.A N ASN 206.A OD1 no hydrogen 2.778 N/A TYR 170.A OH ASP 138.A OD1 no hydrogen 3.318 N/A TYR 170.A OH ASP 138.A OD2 no hydrogen 2.601 N/A SER 171.A OG HIS 172.A ND1 no hydrogen 2.813 N/A HIS 172.A N GLN 169.A O no hydrogen 2.821 N/A HIS 172.A ND1 SER 171.A OG no hydrogen 2.813 N/A HIS 172.A NE2 HIS 202.A O no hydrogen 2.763 N/A LEU 174.A N VAL 159.A O no hydrogen 2.997 N/A CYS 177.A N ASP 191.A O no hydrogen 2.965 N/A CYS 177.A SG GLN 156.A OE1 no hydrogen 3.848 N/A CYS 177.A SG ALA 157.A O no hydrogen 3.921 N/A CYS 177.A SG PRO 178.A O no hydrogen 3.898 N/A ILE 179.A N PHE 189.A O no hydrogen 2.714 N/A VAL 180.A N GLN 155.A O no hydrogen 2.865 N/A ASP 181.A N LYS 186.A O no hydrogen 2.857 N/A THR 182.A N ARG 153.A O no hydrogen 2.790 N/A THR 182.A OG1 ARG 153.A O no hydrogen 3.146 N/A GLU 184.A N ASP 181.A OD1 no hydrogen 3.009 N/A LYS 186.A N ASP 181.A O no hydrogen 3.431 N/A LYS 186.A NZ GLU 184.A OE1 no hydrogen 3.559 N/A ILE 188.A N ILE 179.A O no hydrogen 2.856 N/A ASP 191.A N CYS 177.A O no hydrogen 2.970 N/A ARG 196.A NH1 ASP 175.A OD2 no hydrogen 2.733 N/A ARG 197.A N ASP 175.A OD2 no hydrogen 2.758 N/A ARG 197.A NE GLU 422.A OE1 no hydrogen 3.002 N/A ARG 197.A NH1 ARG 195.A O no hydrogen 2.820 N/A ARG 197.A NH2 GLU 422.A OE1 no hydrogen 3.288 N/A ARG 197.A NH2 GLU 422.A OE2 no hydrogen 3.081 N/A VAL 199.A N SER 125.A O no hydrogen 2.841 N/A SER 200.A OG HIS 202.A ND1 no hydrogen 3.216 N/A LYS 201.A NZ VAL 199.A O no hydrogen 2.951 N/A HIS 202.A N SER 200.A OG no hydrogen 3.114 N/A HIS 202.A ND1 SER 200.A OG no hydrogen 3.216 N/A HIS 204.A NE2 TYR 161.A O no hydrogen 2.933 N/A ALA 205.A N SER 171.A OG no hydrogen 3.222 N/A ASN 206.A ND2 ASP 167.A OD1 no hydrogen 3.066 N/A TYR 208.A N HIS 211.A ND1 no hydrogen 3.162 N/A LYS 210.A NZ ASP 166.A OD2 no hydrogen 2.983 N/A MET 212.A N TYR 208.A O no hydrogen 2.851 N/A ILE 213.A N PRO 209.A O no hydrogen 2.716 N/A GLU 214.A N LYS 210.A O no hydrogen 3.327 N/A LYS 215.A N HIS 211.A O no hydrogen 2.747 N/A LYS 215.A NZ ASN 206.A O no hydrogen 2.785 N/A VAL 216.A N MET 212.A O no hydrogen 2.700 N/A GLN 230.A NE2 GLU 351.A OE2 no hydrogen 2.951 N/A GLY 233.A N GLN 230.A O no hydrogen 3.089 N/A SER 235.A N GLU 351.A OE2 no hydrogen 2.654 N/A SER 235.A OG GLU 351.A OE1 no hydrogen 2.441 N/A SER 235.A OG GLU 351.A OE2 no hydrogen 3.311 N/A LYS 237.A N GLU 244.A O no hydrogen 2.952 N/A THR 239.A N VAL 242.A O no hydrogen 2.815 N/A ASN 241.A ND2 ASP 10.A OD1 no hydrogen 2.763 N/A VAL 242.A N THR 239.A O no hydrogen 2.995 N/A MET 243.A N PHE 250.A O no hydrogen 2.725 N/A GLU 244.A N LYS 237.A O no hydrogen 3.099 N/A TRP 245.A N PHE 248.A O no hydrogen 2.871 N/A TRP 245.A NE1 GLU 351.A OE1 no hydrogen 3.032 N/A ASN 247.A ND2 TYR 267.A OH no hydrogen 2.980 N/A PHE 248.A N TRP 245.A O no hydrogen 2.634 N/A LYS 249.A N SER 266.A O no hydrogen 2.978 N/A PHE 250.A N MET 243.A O no hydrogen 3.008 N/A HIS 251.A N SER 263.A O no hydrogen 2.855 N/A HIS 251.A NE2 ASP 10.A OD1 no hydrogen 2.876 N/A ILE 252.A N ASN 241.A O no hydrogen 2.845 N/A GLY 253.A N VAL 261.A O no hydrogen 2.789 N/A ASN 255.A N GLY 259.A O no hydrogen 3.006 N/A ASN 255.A ND2 GLU 258.A OE2 no hydrogen 2.775 N/A ARG 257.A N ASN 255.A OD1 no hydrogen 2.858 N/A ARG 257.A NH1 ASP 569.A O no hydrogen 2.887 N/A ARG 257.A NH2 ASP 569.A O no hydrogen 3.215 N/A GLU 258.A N ASN 255.A OD1 no hydrogen 2.804 N/A GLY 259.A N ASN 255.A O no hydrogen 3.038 N/A ILE 260.A N GLN 382.A OE1 no hydrogen 2.956 N/A VAL 261.A N GLY 253.A O no hydrogen 3.049 N/A LEU 262.A N ILE 280.A O no hydrogen 3.114 N/A SER 263.A N HIS 251.A O no hydrogen 2.937 N/A ASP 264.A N HIS 278.A O no hydrogen 2.866 N/A VAL 265.A N PHE 277.A O no hydrogen 2.780 N/A SER 266.A N LYS 249.A O no hydrogen 2.994 N/A TYR 267.A N ARG 274.A O no hydrogen 2.780 N/A ASN 268.A N ASN 247.A O no hydrogen 2.673 N/A ASP 269.A N ASN 272.A O no hydrogen 3.014 N/A HIS 270.A N ASN 268.A O no hydrogen 3.103 N/A GLY 271.A N ASN 268.A OD1 no hydrogen 2.693 N/A ASN 272.A N ASP 269.A O no hydrogen 2.933 N/A ARG 274.A N TYR 267.A O no hydrogen 2.911 N/A ARG 274.A NE ASP 453.A OD1 no hydrogen 2.844 N/A ARG 274.A NH1 ASP 269.A OD2 no hydrogen 2.859 N/A ARG 274.A NH1 PHE 632.A O no hydrogen 2.964 N/A ARG 274.A NH2 ASP 453.A OD2 no hydrogen 2.953 N/A ARG 274.A NH2 PHE 632.A O no hydrogen 2.823 N/A ILE 276.A N VAL 265.A O no hydrogen 2.851 N/A PHE 277.A N VAL 265.A O no hydrogen 3.295 N/A HIS 278.A N ASP 449.A O no hydrogen 2.683 N/A HIS 278.A ND1 ASP 449.A OD2 no hydrogen 3.073 N/A ARG 279.A N ASP 449.A O no hydrogen 3.130 N/A ARG 279.A NE GLU 42.A OE1 no hydrogen 2.912 N/A ARG 279.A NE GLU 42.A OE2 no hydrogen 3.343 N/A ARG 279.A NH1 GLU 258.A OE1 no hydrogen 2.928 N/A ARG 279.A NH2 GLU 42.A OE2 no hydrogen 2.964 N/A ARG 279.A NH2 GLU 258.A OE1 no hydrogen 3.304 N/A ARG 279.A NH2 GLU 258.A OE2 no hydrogen 2.779 N/A ILE 280.A N LEU 262.A O no hydrogen 2.868 N/A SER 281.A N ARG 447.A O no hydrogen 3.190 N/A SER 281.A OG GLU 258.A OE1 no hydrogen 2.745 N/A SER 283.A N SER 445.A O no hydrogen 2.901 N/A SER 283.A OG SER 445.A O no hydrogen 3.111 N/A MET 285.A N GLU 284.A OE1 no hydrogen 2.983 N/A ILE 286.A N LEU 443.A O no hydrogen 2.887 N/A VAL 287.A N ALA 301.A O no hydrogen 2.952 N/A TYR 289.A N LYS 299.A O no hydrogen 2.926 N/A GLY 290.A N ASN 439.A O no hydrogen 2.801 N/A HIS 296.A N GLU 293.A O no hydrogen 2.775 N/A ARG 298.A N PRO 295.A O no hydrogen 3.022 N/A ARG 298.A NE GLN 156.A OE1 no hydrogen 2.830 N/A ARG 298.A NH1 ASP 191.A OD2 no hydrogen 2.844 N/A ARG 298.A NH2 GLN 156.A OE1 no hydrogen 3.334 N/A ARG 298.A NH2 ASP 191.A OD2 no hydrogen 2.680 N/A LYS 299.A N HIS 296.A O no hydrogen 3.007 N/A LYS 299.A NZ ASN 414.A OD1 no hydrogen 2.737 N/A LYS 299.A NZ HIS 438.A ND1 no hydrogen 2.981 N/A HIS 300.A ND1 GLN 297.A O no hydrogen 2.801 N/A LEU 302.A N GLU 306.A OE1 no hydrogen 2.763 N/A GLY 305.A N GLU 284.A OE1 no hydrogen 2.787 N/A GLU 306.A N LEU 302.A O no hydrogen 2.692 N/A TYR 307.A N ASP 303.A O no hydrogen 2.991 N/A GLY 308.A N ASP 303.A O no hydrogen 2.758 N/A ALA 309.A N ARG 257.A O no hydrogen 2.682 N/A GLY 310.A N TYR 256.A O no hydrogen 2.786 N/A TYR 311.A N TYR 256.A O no hydrogen 2.927 N/A TYR 311.A OH ASN 36.A O no hydrogen 2.763 N/A MET 312.A N GLY 308.A O no hydrogen 3.030 N/A THR 313.A N GLY 310.A O no hydrogen 3.031 N/A THR 313.A OG1 ILE 383.A O no hydrogen 3.340 N/A ASN 314.A N ILE 383.A O no hydrogen 2.611 N/A LEU 316.A N ASN 345.A O no hydrogen 2.752 N/A CYS 320.A SG LEU 318.A O no hydrogen 2.995 N/A LYS 323.A NZ ILE 226.A O no hydrogen 2.762 N/A HIS 327.A N ILE 349.A O no hydrogen 2.824 N/A LEU 329.A N VAL 347.A O no hydrogen 2.899 N/A ALA 331.A N VAL 343.A O no hydrogen 2.793 N/A HIS 332.A ND1 THR 342.A OG1 no hydrogen 2.997 N/A PHE 333.A N ILE 341.A O no hydrogen 2.902 N/A SER 334.A OG ASP 335.A O no hydrogen 3.039 N/A ASP 335.A N ASP 339.A O no hydrogen 2.950 N/A ARG 336.A N GLU 103.A OE1 no hydrogen 2.711 N/A ARG 336.A NH1 ASP 104.A OD2 no hydrogen 3.055 N/A GLY 338.A N ASP 335.A O no hydrogen 2.948 N/A ASP 339.A N ASP 335.A OD1 no hydrogen 2.771 N/A ILE 341.A N PHE 333.A O no hydrogen 2.787 N/A THR 342.A OG1 HIS 332.A ND1 no hydrogen 2.997 N/A VAL 343.A N ALA 331.A O no hydrogen 2.887 N/A LYS 344.A NZ ASP 330.A OD2 no hydrogen 2.850 N/A ASN 345.A N ASP 330.A OD1 no hydrogen 2.730 N/A ALA 346.A N LEU 329.A O no hydrogen 2.808 N/A VAL 347.A N LEU 329.A O no hydrogen 3.127 N/A CYS 348.A N SER 381.A O no hydrogen 3.027 N/A CYS 348.A SG SER 381.A OG no hydrogen 3.573 N/A ILE 349.A N HIS 327.A O no hydrogen 2.759 N/A HIS 350.A N VAL 379.A O no hydrogen 3.143 N/A HIS 350.A NE2 GLU 352.A OE2 no hydrogen 2.918 N/A GLU 352.A N LYS 377.A O no hydrogen 3.015 N/A ASP 354.A N ALA 375.A O no hydrogen 2.789 N/A GLY 355.A N ASP 353.A OD1 no hydrogen 3.078 N/A LEU 357.A N THR 373.A O no hydrogen 2.797 N/A PHE 358.A N THR 373.A O no hydrogen 3.360 N/A HIS 360.A N LEU 371.A O no hydrogen 3.162 N/A SER 361.A OG SER 370.A OG no hydrogen 2.677 N/A ASP 362.A N THR 369.A O no hydrogen 2.951 N/A ARG 364.A N ASP 362.A OD1 no hydrogen 2.806 N/A ARG 364.A NH1 ASP 362.A OD1 no hydrogen 2.900 N/A ARG 364.A NH1 ASP 362.A OD2 no hydrogen 3.437 N/A ASN 366.A N PHE 363.A O no hydrogen 2.791 N/A PHE 367.A N ASP 362.A O no hydrogen 2.829 N/A ALA 368.A N ASP 365.A O no hydrogen 3.119 N/A THR 369.A N ASP 365.A OD1 no hydrogen 2.843 N/A THR 369.A OG1 ASP 365.A OD1 no hydrogen 3.549 N/A THR 369.A OG1 ASP 365.A OD2 no hydrogen 2.442 N/A THR 369.A OG1 THR 649.A OG1 no hydrogen 2.705 N/A SER 370.A N MET 647.A O no hydrogen 2.929 N/A SER 370.A OG SER 361.A OG no hydrogen 2.677 N/A LEU 371.A N HIS 360.A O no hydrogen 3.070 N/A VAL 372.A N TYR 645.A O no hydrogen 2.862 N/A THR 373.A N PHE 358.A O no hydrogen 3.039 N/A ARG 374.A NH1 ASP 353.A OD1 no hydrogen 2.664 N/A ALA 375.A N GLY 355.A O no hydrogen 2.620 N/A THR 376.A N GLN 399.A OE1 no hydrogen 2.974 N/A LYS 377.A N GLU 352.A O no hydrogen 2.894 N/A LEU 378.A N PHE 397.A O no hydrogen 2.923 N/A VAL 379.A N HIS 350.A O no hydrogen 2.884 N/A VAL 380.A N TRP 395.A O no hydrogen 2.880 N/A SER 381.A N CYS 348.A O no hydrogen 3.050 N/A GLN 382.A N LEU 393.A O no hydrogen 3.046 N/A GLN 382.A NE2 ALA 309.A O no hydrogen 3.232 N/A GLN 382.A NE2 THR 313.A OG1 no hydrogen 2.779 N/A PHE 384.A N TYR 391.A O no hydrogen 3.063 N/A THR 385.A N MET 312.A O no hydrogen 3.148 N/A THR 385.A OG1 ASN 314.A OD1 no hydrogen 2.927 N/A THR 385.A OG1 GLU 390.A OE1 no hydrogen 2.707 N/A ALA 386.A N TYR 389.A O no hydrogen 2.861 N/A ASN 388.A ND2 ILE 412.A O no hydrogen 2.858 N/A TYR 389.A N ALA 386.A O no hydrogen 3.138 N/A TYR 389.A OH HIS 440.A NE2 no hydrogen 3.103 N/A GLU 390.A N THR 410.A O no hydrogen 2.950 N/A TYR 391.A N PHE 384.A O no hydrogen 2.830 N/A TYR 391.A OH HIS 442.A ND1 no hydrogen 2.915 N/A CYS 392.A N ARG 408.A O no hydrogen 2.923 N/A LEU 393.A N GLN 382.A O no hydrogen 2.859 N/A TYR 394.A N ASP 406.A O no hydrogen 2.780 N/A TRP 395.A N VAL 380.A O no hydrogen 2.770 N/A VAL 396.A N ARG 404.A O no hydrogen 2.684 N/A PHE 397.A N LEU 378.A O no hydrogen 2.829 N/A MET 398.A N ALA 402.A O no hydrogen 2.909 N/A GLY 401.A N MET 398.A O no hydrogen 2.923 N/A ALA 402.A N ASP 400.A OD1 no hydrogen 3.101 N/A ILE 403.A N LEU 627.A O no hydrogen 2.957 N/A ARG 404.A N VAL 396.A O no hydrogen 2.658 N/A ARG 404.A NE ASP 406.A OD2 no hydrogen 3.039 N/A ARG 404.A NH2 ASP 406.A OD2 no hydrogen 2.975 N/A LEU 405.A N LEU 625.A O no hydrogen 2.886 N/A ASP 406.A N TYR 394.A O no hydrogen 2.877 N/A ILE 407.A N ILE 623.A O no hydrogen 2.709 N/A ARG 408.A N CYS 392.A O no hydrogen 2.907 N/A LEU 409.A N GLU 621.A O no hydrogen 2.820 N/A THR 410.A N GLU 390.A O no hydrogen 3.042 N/A THR 410.A OG1 MET 618.A O no hydrogen 2.869 N/A GLY 411.A N THR 410.A OG1 no hydrogen 2.655 N/A ILE 412.A N ASN 388.A O no hydrogen 2.745 N/A THR 415.A OG1 TYR 170.A O no hydrogen 2.738 N/A TYR 416.A N ASN 436.A O no hydrogen 2.965 N/A TYR 416.A OH ASP 175.A O no hydrogen 2.767 N/A LEU 418.A N ASN 434.A O no hydrogen 2.981 N/A GLY 419.A N GLU 422.A OE1 no hydrogen 2.788 N/A GLU 422.A N GLY 419.A O no hydrogen 2.983 N/A GLY 428.A N ALA 424.A O no hydrogen 3.097 N/A THR 429.A N ALA 437.A O no hydrogen 2.835 N/A THR 429.A OG1 PRO 610.A O no hydrogen 2.792 N/A TYR 432.A OH LYS 203.A O no hydrogen 2.558 N/A ASN 434.A ND2 SER 200.A OG no hydrogen 3.369 N/A VAL 435.A N TYR 432.A O no hydrogen 2.848 N/A ASN 436.A N TYR 416.A O no hydrogen 2.897 N/A ASN 436.A ND2 THR 429.A O no hydrogen 3.558 N/A ALA 437.A N THR 429.A O no hydrogen 2.813 N/A ASN 439.A N TRP 427.A O no hydrogen 2.659 N/A ASN 439.A ND2 PRO 426.A O no hydrogen 2.857 N/A HIS 440.A N HIS 608.A O no hydrogen 3.249 N/A HIS 440.A ND1 HIS 438.A O no hydrogen 2.782 N/A HIS 440.A NE2 HIS 442.A NE2 no hydrogen 3.055 N/A HIS 440.A NE2 HIS 608.A ND1 no hydrogen 2.871 N/A GLN 441.A N PRO 288.A O no hydrogen 3.046 N/A HIS 442.A N ILE 606.A O no hydrogen 2.834 N/A HIS 442.A ND1 TYR 391.A OH no hydrogen 2.915 N/A LEU 443.A N ILE 286.A O no hydrogen 2.861 N/A PHE 444.A N PHE 604.A O no hydrogen 2.738 N/A SER 445.A N GLU 284.A O no hydrogen 2.890 N/A SER 445.A OG SER 283.A OG no hydrogen 3.357 N/A LEU 446.A N HIS 602.A O no hydrogen 2.777 N/A ARG 447.A N SER 281.A O no hydrogen 2.817 N/A ARG 447.A NE ARG 563.A O no hydrogen 2.758 N/A ARG 447.A NH2 ARG 563.A O no hydrogen 3.023 N/A ILE 448.A N PHE 600.A O no hydrogen 2.838 N/A ASP 449.A N ARG 279.A O no hydrogen 2.814 N/A ARG 451.A N ILE 276.A O no hydrogen 2.918 N/A ARG 451.A NH1 ASP 455.A OD1 no hydrogen 2.582 N/A ARG 451.A NH2 GLU 53.A OE1 no hydrogen 2.882 N/A ASP 453.A N PRO 275.A O no hydrogen 2.739 N/A GLY 454.A N ARG 451.A O no hydrogen 2.959 N/A ASN 457.A N THR 596.A O no hydrogen 2.859 N/A SER 458.A N PHE 510.A O no hydrogen 2.887 N/A SER 458.A OG ASP 594.A OD1 no hydrogen 2.612 N/A ALA 460.A N ASP 508.A O no hydrogen 2.952 N/A ALA 461.A N THR 487.A O no hydrogen 2.984 N/A CYS 462.A N SER 506.A O no hydrogen 2.853 N/A CYS 462.A SG ASP 508.A OD2 no hydrogen 3.458 N/A ASP 463.A N GLU 485.A O no hydrogen 2.814 N/A ALA 464.A N THR 503.A O no hydrogen 2.896 N/A LYS 465.A N TYR 483.A O no hydrogen 2.866 N/A SER 467.A N ALA 481.A O no hydrogen 2.887 N/A TYR 469.A N SER 467.A OG no hydrogen 3.085 N/A GLY 472.A N MET 477.A O no hydrogen 2.919 N/A SER 473.A N PRO 470.A O no hydrogen 3.148 N/A SER 473.A OG PRO 470.A O no hydrogen 2.682 N/A ASN 476.A N SER 473.A O no hydrogen 3.087 N/A ASN 476.A N SER 473.A OG no hydrogen 3.264 N/A ASN 476.A ND2 TYR 469.A O no hydrogen 2.884 N/A GLY 479.A N ASN 476.A O no hydrogen 2.702 N/A ALA 481.A N ASN 476.A OD1 no hydrogen 3.076 N/A TYR 483.A N LYS 465.A O no hydrogen 2.850 N/A TYR 483.A OH GLU 485.A OE2 no hydrogen 3.413 N/A GLU 485.A N ASP 463.A O no hydrogen 2.696 N/A THR 487.A N ALA 461.A O no hydrogen 2.892 N/A PHE 489.A N ALA 459.A O no hydrogen 2.862 N/A LYS 490.A N ASP 494.A OD2 no hydrogen 3.206 N/A THR 491.A N ASP 494.A OD2 no hydrogen 2.863 N/A THR 491.A OG1 SER 590.A O no hydrogen 3.164 N/A VAL 492.A N GLU 591.A O no hydrogen 3.065 N/A LYS 493.A N GLY 589.A O no hydrogen 2.932 N/A ASP 494.A N THR 491.A O no hydrogen 2.795 N/A SER 495.A N VAL 492.A O no hydrogen 2.930 N/A SER 495.A OG VAL 492.A O no hydrogen 2.655 N/A SER 495.A OG VAL 556.A O no hydrogen 3.309 N/A LEU 496.A N LYS 493.A O no hydrogen 3.417 N/A THR 497.A N VAL 554.A O no hydrogen 3.377 N/A THR 497.A OG1 SER 495.A O no hydrogen 2.925 N/A TYR 499.A N SER 553.A OG no hydrogen 2.915 N/A THR 503.A N GLU 500.A O no hydrogen 3.257 N/A THR 503.A OG1 ASP 463.A OD1 no hydrogen 2.556 N/A THR 503.A OG1 GLU 500.A O no hydrogen 3.501 N/A GLY 504.A N SER 501.A O no hydrogen 3.188 N/A ARG 505.A N GLU 500.A O no hydrogen 3.191 N/A ARG 505.A NE ASP 463.A OD1 no hydrogen 2.964 N/A ARG 505.A NH1 ASN 498.A O no hydrogen 2.962 N/A ARG 505.A NH2 ASP 463.A OD1 no hydrogen 3.529 N/A ARG 505.A NH2 ASP 463.A OD2 no hydrogen 3.055 N/A SER 506.A N CYS 462.A O no hydrogen 3.273 N/A TRP 507.A N LEU 527.A O no hydrogen 3.265 N/A TRP 507.A NE1 THR 497.A OG1 no hydrogen 3.021 N/A ASP 508.A N ALA 460.A O no hydrogen 2.795 N/A ILE 509.A N TYR 525.A O no hydrogen 3.018 N/A PHE 510.A N SER 458.A O no hydrogen 3.071 N/A ASN 511.A N PRO 523.A O no hydrogen 3.216 N/A ASN 511.A ND2 ILE 452.A O no hydrogen 2.877 N/A ASN 513.A N ASN 511.A OD1 no hydrogen 2.832 N/A ASN 513.A ND2 ASN 595.A OD1 no hydrogen 2.907 N/A LYS 514.A N ASN 511.A O no hydrogen 3.228 N/A LYS 514.A NZ ASP 453.A O no hydrogen 2.755 N/A ASN 516.A N LYS 521.A O no hydrogen 2.714 N/A ASN 516.A ND2 HIS 631.A O no hydrogen 3.044 N/A ASN 516.A ND2 PHE 633.A O no hydrogen 2.947 N/A TYR 518.A N ASN 516.A OD1 no hydrogen 2.765 N/A SER 519.A N ASN 516.A OD1 no hydrogen 3.026 N/A SER 519.A OG HIS 631.A ND1 no hydrogen 2.791 N/A GLY 520.A N ASN 516.A O no hydrogen 2.850 N/A LYS 521.A N SER 519.A OG no hydrogen 3.266 N/A SER 524.A OG ARG 630.A O no hydrogen 2.924 N/A TYR 525.A N ILE 509.A O no hydrogen 2.989 N/A TYR 525.A OH GLY 401.A O no hydrogen 2.543 N/A LYS 526.A N ARG 628.A O no hydrogen 2.683 N/A LYS 526.A NZ SER 506.A OG no hydrogen 2.823 N/A LYS 526.A NZ ASP 508.A OD1 no hydrogen 2.868 N/A LEU 527.A N TRP 507.A O no hydrogen 2.687 N/A VAL 528.A N MET 626.A O no hydrogen 2.810 N/A SER 529.A OG HIS 602.A NE2 no hydrogen 2.640 N/A GLN 531.A NE2 THR 624.A O no hydrogen 3.548 N/A CYS 532.A SG SER 529.A O no hydrogen 3.508 N/A CYS 532.A SG SER 529.A OG no hydrogen 3.425 N/A SER 541.A N LYS 538.A O no hydrogen 3.024 N/A SER 541.A OG LYS 538.A O no hydrogen 2.468 N/A ALA 544.A N SER 541.A OG no hydrogen 3.190 N/A LYS 545.A N SER 541.A O no hydrogen 2.829 N/A LYS 545.A NZ ASP 577.A OD1 no hydrogen 2.551 N/A ARG 546.A N LEU 542.A O no hydrogen 3.015 N/A ARG 546.A NE TRP 574.A O no hydrogen 2.796 N/A ARG 546.A NH1 HIS 300.A NE2 no hydrogen 2.649 N/A ARG 546.A NH2 GLU 306.A OE2 no hydrogen 2.951 N/A ARG 546.A NH2 VAL 571.A O no hydrogen 3.099 N/A ALA 547.A N VAL 543.A O no hydrogen 3.100 N/A TRP 549.A NE1 SER 567.A OG no hydrogen 2.907 N/A ALA 550.A N ALA 547.A O no hydrogen 3.054 N/A SER 553.A N ASN 498.A OD1 no hydrogen 3.033 N/A VAL 554.A N THR 497.A O no hydrogen 2.925 N/A ASN 555.A N PHE 601.A O no hydrogen 2.846 N/A ASN 555.A ND2 TRP 549.A O no hydrogen 3.099 N/A ASN 555.A ND2 HIS 552.A O no hydrogen 3.622 N/A ASN 555.A ND2 PHE 601.A O no hydrogen 3.422 N/A VAL 556.A N SER 495.A OG no hydrogen 2.960 N/A VAL 557.A N LEU 599.A O no hydrogen 2.991 N/A TYR 559.A N ASP 597.A O no hydrogen 2.843 N/A TYR 559.A OH ASP 561.A OD1 no hydrogen 2.659 N/A ARG 563.A NH1 PRO 558.A O no hydrogen 2.821 N/A TYR 565.A OH GLU 258.A OE2 no hydrogen 2.727 N/A SER 567.A OG ARG 546.A O no hydrogen 2.710 N/A GLY 568.A N TYR 565.A O no hydrogen 2.907 N/A HIS 570.A NE2 GLU 77.A OE1 no hydrogen 2.799 N/A GLN 573.A N GLY 143.A O no hydrogen 3.078 N/A GLN 573.A NE2 GLY 149.A O no hydrogen 2.803 N/A GLN 573.A NE2 LYS 152.A O no hydrogen 2.694 N/A TRP 574.A N VAL 571.A O no hydrogen 3.103 N/A TRP 574.A NE1 ASP 577.A O no hydrogen 2.813 N/A SER 575.A OG ASP 577.A OD2 no hydrogen 2.633 N/A ASP 577.A N SER 575.A OG no hydrogen 3.049 N/A MET 582.A N PRO 566.A O no hydrogen 2.926 N/A ARG 583.A NH1 GLY 576.A O no hydrogen 2.727 N/A ARG 583.A NH1 GLY 578.A O no hydrogen 2.961 N/A ARG 583.A NH2 LYS 545.A O no hydrogen 2.878 N/A GLU 584.A N ARG 580.A O no hydrogen 3.251 N/A TRP 585.A N GLY 581.A O no hydrogen 2.938 N/A ILE 586.A N MET 582.A O no hydrogen 2.880 N/A GLY 587.A N ARG 583.A O no hydrogen 3.259 N/A GLY 589.A N ILE 586.A O no hydrogen 2.811 N/A SER 590.A N ASP 588.A OD1 no hydrogen 2.784 N/A SER 590.A OG ASP 588.A OD1 no hydrogen 2.723 N/A SER 590.A OG ASP 588.A OD2 no hydrogen 3.562 N/A ASN 592.A ND2 ASP 594.A O no hydrogen 3.205 N/A ILE 593.A N LYS 490.A O no hydrogen 2.970 N/A ASP 594.A N ASN 592.A OD1 no hydrogen 2.900 N/A ASN 595.A N SER 458.A OG no hydrogen 2.776 N/A ASN 595.A ND2 ASN 513.A OD1 no hydrogen 2.813 N/A THR 596.A N ASN 457.A O no hydrogen 3.121 N/A LEU 599.A N VAL 557.A O no hydrogen 2.777 N/A PHE 600.A N ILE 448.A O no hydrogen 2.878 N/A PHE 601.A N ASN 555.A O no hydrogen 2.744 N/A HIS 602.A N LEU 446.A O no hydrogen 2.790 N/A HIS 602.A ND1 SER 553.A O no hydrogen 2.733 N/A HIS 602.A NE2 SER 529.A OG no hydrogen 2.640 N/A THR 603.A N SER 553.A O no hydrogen 2.598 N/A THR 603.A OG1 TRP 549.A O no hydrogen 2.847 N/A THR 603.A OG1 HIS 552.A O no hydrogen 2.951 N/A PHE 604.A N PHE 444.A O no hydrogen 3.102 N/A GLY 605.A N GLN 531.A O no hydrogen 2.810 N/A ILE 606.A N HIS 442.A O no hydrogen 2.936 N/A THR 607.A OG1 GLN 441.A OE1 no hydrogen 3.117 N/A HIS 608.A N HIS 440.A O no hydrogen 2.688 N/A HIS 608.A NE2 ASP 614.A OD2 no hydrogen 3.296 N/A ALA 611.A N ASP 614.A OD2 no hydrogen 3.096 N/A GLU 613.A N GLU 613.A OE1 no hydrogen 2.717 N/A ASP 614.A N ALA 611.A O no hydrogen 2.846 N/A PHE 615.A N PRO 612.A O no hydrogen 2.923 N/A MET 618.A N GLY 411.A O no hydrogen 2.901 N/A GLU 621.A N LEU 409.A O no hydrogen 2.774 N/A ILE 623.A N ILE 407.A O no hydrogen 2.852 N/A THR 624.A OG1 LEU 405.A O no hydrogen 3.204 N/A THR 624.A OG1 ASP 406.A OD1 no hydrogen 2.695 N/A LEU 625.A N LEU 405.A O no hydrogen 3.116 N/A MET 626.A N VAL 528.A O no hydrogen 3.145 N/A LEU 627.A N ILE 403.A O no hydrogen 2.730 N/A ARG 628.A N LYS 526.A O no hydrogen 2.913 N/A ARG 630.A N SER 524.A O no hydrogen 2.900 N/A HIS 631.A ND1 SER 519.A OG no hydrogen 2.791 N/A GLY 638.A N ASN 636.A OD1 no hydrogen 2.753 N/A ILE 641.A N GLY 638.A O no hydrogen 3.200 N/A SER 644.A N VAL 372.A O no hydrogen 2.700 N/A SER 644.A OG VAL 372.A O no hydrogen 3.283 N/A TYR 645.A N VAL 372.A O no hydrogen 3.196 N/A MET 647.A N SER 370.A O no hydrogen 2.796 N/A THR 648.A N GLU 651.A OE1 no hydrogen 2.904 N/A THR 649.A OG1 THR 369.A OG1 no hydrogen 2.705 N/A ALA 652.A N THR 648.A O no hydrogen 2.851 N/A LYS 653.A N THR 649.A O no hydrogen 3.070 N/A ARG 654.A N SER 650.A O no hydrogen 3.170 N/A ALA 655.A N GLU 651.A O no hydrogen 2.841 N/A VAL 656.A N LYS 653.A O no hydrogen 3.099 N/A