Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jkx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N CYS 518.A O no hydrogen 2.934 N/A SER 2.A OG ASN 521.A O no hydrogen 2.692 N/A ILE 5.A N ASN 115.A OD1 no hydrogen 3.263 N/A SER 7.A N GLN 147.A O no hydrogen 2.942 N/A ILE 9.A N VAL 145.A O no hydrogen 2.792 N/A ARG 11.A NH1 GLU 142.A OE1 no hydrogen 2.949 N/A ARG 11.A NH1 ILE 143.A O no hydrogen 2.859 N/A ARG 11.A NH2 GLU 142.A OE1 no hydrogen 3.038 N/A TRP 14.A N ARG 11.A O no hydrogen 3.206 N/A ALA 15.A N ASP 58.A O no hydrogen 2.979 N/A THR 17.A N THR 56.A O no hydrogen 2.786 N/A ASP 19.A N THR 54.A O no hydrogen 3.154 N/A GLN 22.A N HIS 40.A O no hydrogen 2.863 N/A GLN 22.A NE2 TYR 43.A O no hydrogen 2.752 N/A GLY 24.A N GLU 26.A OE2 no hydrogen 2.758 N/A ASN 25.A N GLN 22.A O no hydrogen 2.897 N/A GLU 26.A N GLU 26.A OE1 no hydrogen 2.777 N/A LYS 29.A N GLU 26.A O no hydrogen 2.853 N/A LYS 29.A NZ GLU 26.A OE1 no hydrogen 3.023 N/A ALA 30.A N CYS 27.A O no hydrogen 3.331 N/A ILE 31.A N ASN 28.A O no hydrogen 3.095 N/A GLY 33.A N GLU 142.A OE1 no hydrogen 3.023 N/A ASN 34.A N ASP 32.A OD1 no hydrogen 2.978 N/A ASP 36.A N ASN 34.A OD1 no hydrogen 2.801 N/A THR 37.A N ASN 34.A O no hydrogen 3.196 N/A THR 37.A OG1 LYS 29.A O no hydrogen 3.365 N/A THR 37.A OG1 ASP 32.A OD2 no hydrogen 2.557 N/A THR 37.A OG1 ASN 34.A O no hydrogen 3.069 N/A TRP 39.A N ILE 140.A O no hydrogen 2.919 N/A TRP 39.A NE1 SER 20.A O no hydrogen 2.897 N/A HIS 40.A N ASN 25.A O no hydrogen 3.246 N/A HIS 40.A ND1 THR 41.A O no hydrogen 2.784 N/A THR 41.A N THR 138.A O no hydrogen 3.028 N/A THR 41.A OG1 THR 138.A O no hydrogen 3.483 N/A PHE 42.A N SER 20.A OG no hydrogen 3.085 N/A TYR 43.A N GLN 22.A OE1 no hydrogen 3.148 N/A GLY 44.A N ASP 48.A OD1 no hydrogen 3.213 N/A ASN 46.A ND2 GLN 22.A OE1 no hydrogen 2.817 N/A GLY 47.A N GLY 44.A O no hydrogen 3.333 N/A HIS 53.A N ALA 128.A O no hydrogen 2.843 N/A HIS 53.A ND1 ASP 19.A OD2 no hydrogen 2.733 N/A HIS 53.A NE2 PRO 136.A O no hydrogen 2.703 N/A THR 54.A N ASP 19.A OD1 no hydrogen 2.977 N/A TYR 55.A N LEU 126.A O no hydrogen 2.839 N/A TYR 55.A OH CYS 27.A O no hydrogen 2.673 N/A THR 56.A N THR 17.A O no hydrogen 2.778 N/A ILE 57.A N VAL 124.A O no hydrogen 2.735 N/A ASP 58.A N ALA 15.A O no hydrogen 2.688 N/A MET 59.A N ARG 122.A O no hydrogen 2.896 N/A LYS 60.A N ASP 58.A OD1 no hydrogen 2.883 N/A LYS 60.A NZ ASN 13.A O no hydrogen 2.933 N/A THR 61.A N MET 59.A O no hydrogen 2.759 N/A GLN 63.A N ALA 121.A O no hydrogen 2.714 N/A VAL 65.A N ARG 119.A O no hydrogen 3.238 N/A ASN 66.A N PHE 146.A O no hydrogen 2.867 N/A LEU 68.A N SER 114.A O no hydrogen 2.877 N/A SER 69.A N ASN 144.A O no hydrogen 2.926 N/A MET 70.A N LYS 112.A O no hydrogen 2.799 N/A LEU 71.A N GLU 142.A O no hydrogen 2.807 N/A ARG 73.A NE ASP 75.A OD1 no hydrogen 2.900 N/A ARG 73.A NH1 ASN 79.A O no hydrogen 3.115 N/A ARG 73.A NH2 ASP 75.A OD2 no hydrogen 2.774 N/A GLN 74.A NE2 PRO 72.A O no hydrogen 2.824 N/A GLN 74.A NE2 SER 109.A O no hydrogen 2.876 N/A ASN 77.A N ASP 75.A OD1 no hydrogen 3.192 N/A ASN 79.A N ASN 77.A OD1 no hydrogen 2.846 N/A GLY 80.A N GLU 131.A OE2 no hydrogen 2.781 N/A TRP 81.A N GLN 78.A O no hydrogen 3.250 N/A GLY 83.A N THR 130.A O no hydrogen 2.812 N/A ARG 84.A N THR 130.A OG1 no hydrogen 2.829 N/A HIS 85.A N GLY 103.A O no hydrogen 2.872 N/A HIS 85.A ND1 GLY 83.A O no hydrogen 2.956 N/A HIS 85.A NE2 ASP 166.A OD2 no hydrogen 2.489 N/A GLU 86.A N VAL 127.A O no hydrogen 3.041 N/A VAL 87.A N ALA 101.A O no hydrogen 2.799 N/A TYR 88.A N ARG 125.A O no hydrogen 2.880 N/A TYR 88.A OH GLU 86.A OE1 no hydrogen 2.545 N/A SER 90.A N TYR 123.A O no hydrogen 3.037 N/A SER 90.A OG ASN 95.A O no hydrogen 2.698 N/A ASP 92.A N SER 90.A OG no hydrogen 3.103 N/A GLY 93.A N SER 90.A OG no hydrogen 2.943 N/A THR 94.A N ASP 92.A OD1 no hydrogen 2.754 N/A THR 94.A OG1 ASP 92.A OD1 no hydrogen 3.169 N/A ASN 95.A N ASP 92.A OD1 no hydrogen 2.702 N/A VAL 100.A N VAL 87.A O no hydrogen 2.830 N/A SER 102.A N THR 164.A O no hydrogen 3.076 N/A GLY 103.A N HIS 85.A O no hydrogen 3.078 N/A SER 104.A N ASP 166.A O no hydrogen 3.055 N/A SER 104.A OG VAL 214.A O no hydrogen 2.977 N/A TRP 105.A N GLY 83.A O no hydrogen 3.047 N/A TRP 105.A NE1 TYR 113.A O no hydrogen 3.033 N/A ASP 108.A N PHE 106.A O no hydrogen 3.080 N/A THR 110.A N ASP 108.A OD1 no hydrogen 3.095 N/A THR 110.A OG1 ASP 108.A OD1 no hydrogen 2.696 N/A THR 110.A OG1 ASP 108.A OD2 no hydrogen 3.503 N/A LYS 112.A N MET 70.A O no hydrogen 2.843 N/A LYS 112.A NZ PHE 106.A O no hydrogen 3.438 N/A LYS 112.A NZ ASP 108.A O no hydrogen 2.956 N/A LYS 112.A NZ ASP 108.A OD1 no hydrogen 2.805 N/A LYS 112.A NZ THR 110.A O no hydrogen 2.868 N/A LYS 112.A NZ THR 110.A OG1 no hydrogen 3.416 N/A SER 114.A N LEU 68.A O no hydrogen 2.917 N/A SER 114.A OG ASP 166.A OD2 no hydrogen 2.716 N/A ASN 115.A ND2 ALA 3.A O no hydrogen 2.926 N/A PHE 116.A N ASN 66.A O no hydrogen 3.130 N/A ARG 119.A N VAL 65.A O no hydrogen 2.864 N/A ALA 121.A N GLN 63.A O no hydrogen 2.789 N/A ARG 122.A N SER 90.A O no hydrogen 3.094 N/A ARG 122.A NE ASP 58.A OD1 no hydrogen 2.705 N/A ARG 122.A NH2 ASP 58.A OD1 no hydrogen 3.336 N/A ARG 122.A NH2 ASP 58.A OD2 no hydrogen 2.945 N/A TYR 123.A N SER 90.A O no hydrogen 2.903 N/A VAL 124.A N ILE 57.A O no hydrogen 3.019 N/A ARG 125.A N TYR 88.A O no hydrogen 2.919 N/A ARG 125.A NE THR 56.A OG1 no hydrogen 2.854 N/A LEU 126.A N TYR 55.A O no hydrogen 2.813 N/A VAL 127.A N GLU 86.A O no hydrogen 2.915 N/A ALA 128.A N HIS 53.A O no hydrogen 2.627 N/A ILE 129.A N ARG 84.A O no hydrogen 2.808 N/A THR 130.A N ARG 84.A O no hydrogen 3.210 N/A ALA 132.A N TRP 81.A O no hydrogen 2.765 N/A ASN 133.A N GLU 131.A OE1 no hydrogen 2.799 N/A GLY 134.A N GLU 131.A O no hydrogen 2.892 N/A GLN 135.A N GLU 131.A OE1 no hydrogen 3.035 N/A TRP 137.A NE1 ASP 48.A OD1 no hydrogen 2.916 N/A THR 138.A N THR 41.A OG1 no hydrogen 3.007 N/A SER 139.A N GLY 80.A O no hydrogen 3.033 N/A SER 139.A OG ASN 79.A O no hydrogen 2.721 N/A ILE 140.A N TRP 39.A O no hydrogen 3.034 N/A ALA 141.A N LEU 71.A O no hydrogen 2.731 N/A GLU 142.A N LEU 71.A O no hydrogen 3.257 N/A ILE 143.A N ALA 30.A O no hydrogen 2.792 N/A ASN 144.A N SER 69.A O no hydrogen 3.073 N/A PHE 146.A N GLY 67.A O no hydrogen 2.788 N/A GLN 147.A N SER 7.A O no hydrogen 2.878 N/A ALA 148.A N ASN 64.A O no hydrogen 2.875 N/A GLN 155.A N ASN 487.A OD1 no hydrogen 2.819 N/A LEU 158.A N GLN 155.A O no hydrogen 3.399 N/A ARG 160.A N THR 529.A O no hydrogen 2.973 N/A TRP 161.A NE1 ASN 487.A O no hydrogen 2.929 N/A GLY 162.A N ILE 527.A O no hydrogen 2.731 N/A THR 164.A N VAL 100.A O no hydrogen 2.894 N/A THR 164.A OG1 ASN 115.A O no hydrogen 2.617 N/A ILE 165.A N ALA 525.A O no hydrogen 2.846 N/A ASP 166.A N SER 102.A O no hydrogen 2.762 N/A LEU 167.A N PHE 523.A O no hydrogen 2.836 N/A VAL 170.A N ASN 191.A O no hydrogen 3.067 N/A ALA 172.A N VAL 170.A O no hydrogen 2.839 N/A ALA 173.A N TRP 186.A O no hydrogen 3.198 N/A ALA 174.A N ALA 579.A O no hydrogen 2.875 N/A ALA 175.A N LEU 184.A O no hydrogen 2.736 N/A ILE 176.A N GLY 577.A O no hydrogen 3.312 N/A GLU 177.A N ARG 182.A O no hydrogen 2.819 N/A THR 179.A N SER 255.A OG no hydrogen 3.108 N/A THR 179.A OG1 SER 255.A OG no hydrogen 2.621 N/A SER 180.A N GLU 177.A O no hydrogen 3.310 N/A SER 180.A OG GLU 177.A O no hydrogen 3.419 N/A SER 180.A OG GLU 177.A OE1 no hydrogen 2.892 N/A GLY 181.A N GLU 177.A O no hydrogen 2.742 N/A ARG 182.A N SER 180.A OG no hydrogen 3.320 N/A VAL 183.A N TRP 207.A O no hydrogen 2.864 N/A LEU 184.A N ALA 175.A O no hydrogen 2.747 N/A MET 185.A N SER 205.A O no hydrogen 2.760 N/A TRP 186.A N ALA 173.A O no hydrogen 2.871 N/A TRP 186.A NE1 MET 226.A O no hydrogen 2.979 N/A SER 187.A N LEU 203.A O no hydrogen 3.066 N/A SER 187.A OG ARG 190.A O no hydrogen 2.863 N/A SER 188.A OG ASP 225.A OD1 no hydrogen 2.848 N/A SER 188.A OG ASP 225.A OD2 no hydrogen 2.951 N/A TYR 189.A OH GLY 195.A O no hydrogen 2.578 N/A ASN 191.A ND2 PRO 168.A O no hydrogen 3.107 N/A SER 197.A N PHE 194.A O no hydrogen 3.361 N/A SER 197.A OG ASP 225.A OD2 no hydrogen 2.620 N/A GLY 199.A N SER 197.A OG no hydrogen 2.839 N/A GLY 200.A N ASP 246.A OD2 no hydrogen 2.675 N/A THR 202.A N VAL 219.A O no hydrogen 3.027 N/A THR 202.A OG1 HIS 224.A O no hydrogen 2.597 N/A LEU 203.A N SER 188.A O no hydrogen 2.825 N/A THR 204.A N ARG 217.A O no hydrogen 2.866 N/A THR 204.A OG1 ARG 217.A O no hydrogen 2.720 N/A SER 205.A N MET 185.A O no hydrogen 2.869 N/A SER 205.A OG SER 215.A O no hydrogen 2.892 N/A SER 206.A N SER 215.A O no hydrogen 2.918 N/A SER 206.A OG SER 215.A OG no hydrogen 3.097 N/A TRP 207.A N VAL 183.A O no hydrogen 2.920 N/A ASP 208.A N ILE 213.A O no hydrogen 3.115 N/A SER 210.A N ASP 208.A OD1 no hydrogen 2.928 N/A SER 210.A OG ASP 208.A OD1 no hydrogen 2.683 N/A SER 210.A OG ASP 208.A OD2 no hydrogen 3.289 N/A THR 211.A N ASP 208.A O no hydrogen 3.102 N/A GLY 212.A N ASP 208.A O no hydrogen 2.652 N/A ILE 213.A N THR 211.A OG1 no hydrogen 3.227 N/A SER 215.A N SER 206.A O no hydrogen 2.902 N/A SER 215.A OG SER 206.A OG no hydrogen 3.097 N/A ARG 217.A N THR 204.A O no hydrogen 3.026 N/A ARG 217.A NH1 ASP 258.A O no hydrogen 2.768 N/A ARG 217.A NH2 ASP 258.A O no hydrogen 3.379 N/A ARG 217.A NH2 ASP 258.A OD1 no hydrogen 3.181 N/A ARG 217.A NH2 ASP 258.A OD2 no hydrogen 2.817 N/A VAL 219.A N THR 202.A O no hydrogen 2.890 N/A THR 222.A OG1 SER 251.A OG no hydrogen 2.710 N/A LYS 223.A N THR 220.A O no hydrogen 2.914 N/A HIS 224.A ND1 SER 251.A OG no hydrogen 2.766 N/A HIS 224.A NE2 GLY 243.A O no hydrogen 2.729 N/A ASP 225.A N ASP 246.A OD2 no hydrogen 2.760 N/A MET 226.A N THR 202.A OG1 no hydrogen 2.786 N/A PHE 227.A N ASP 225.A OD1 no hydrogen 3.255 N/A CYS 228.A SG HIS 581.A NE2 no hydrogen 3.392 N/A GLY 230.A N THR 242.A O no hydrogen 2.925 N/A SER 232.A N VAL 240.A O no hydrogen 3.039 N/A SER 232.A OG SER 275.A OG no hydrogen 2.735 N/A MET 233.A N ASP 586.A OD1 no hydrogen 2.856 N/A MET 233.A N ASP 586.A OD2 no hydrogen 3.115 N/A ASP 234.A N GLN 238.A O no hydrogen 2.753 N/A GLY 235.A N GLY 281.A O no hydrogen 3.011 N/A ASN 236.A N ASP 234.A OD1 no hydrogen 2.764 N/A GLY 237.A N ASP 234.A O no hydrogen 3.288 N/A GLN 238.A N ASP 234.A OD1 no hydrogen 2.930 N/A GLN 238.A NE2 ASP 254.A OD1 no hydrogen 3.043 N/A ILE 239.A N TYR 253.A O no hydrogen 2.895 N/A VAL 240.A N SER 232.A O no hydrogen 2.638 N/A VAL 241.A N SER 251.A O no hydrogen 2.816 N/A THR 242.A N GLY 230.A O no hydrogen 2.943 N/A GLY 243.A N LYS 249.A O no hydrogen 2.697 N/A GLY 244.A N ARG 270.A O no hydrogen 2.890 N/A ASN 245.A N PHE 227.A O no hydrogen 2.953 N/A ASN 245.A ND2 PHE 194.A O no hydrogen 3.310 N/A ASN 245.A ND2 ASP 225.A OD2 no hydrogen 2.900 N/A ASP 246.A N ASP 225.A O no hydrogen 3.357 N/A LYS 249.A N ASP 246.A O no hydrogen 3.223 N/A LYS 249.A NZ ASP 265.A OD1 no hydrogen 2.841 N/A THR 250.A OG1 PRO 264.A O no hydrogen 2.735 N/A SER 251.A N VAL 241.A O no hydrogen 2.874 N/A SER 251.A OG THR 222.A OG1 no hydrogen 2.710 N/A SER 251.A OG HIS 224.A ND1 no hydrogen 2.766 N/A LEU 252.A N ILE 261.A O no hydrogen 2.880 N/A TYR 253.A N ILE 239.A O no hydrogen 2.805 N/A TYR 253.A OH ASP 258.A OD1 no hydrogen 2.802 N/A ASP 254.A N SER 259.A O no hydrogen 2.876 N/A SER 255.A OG THR 179.A OG1 no hydrogen 2.621 N/A SER 256.A OG ASP 254.A OD2 no hydrogen 2.654 N/A SER 257.A N ASP 254.A OD2 no hydrogen 2.931 N/A SER 257.A OG ASP 254.A OD2 no hydrogen 3.033 N/A SER 257.A OG SER 259.A OG no hydrogen 2.527 N/A ASP 258.A N SER 255.A O no hydrogen 3.171 N/A SER 259.A N ASP 254.A O no hydrogen 3.211 N/A SER 259.A OG SER 257.A OG no hydrogen 2.527 N/A ILE 261.A N LEU 252.A O no hydrogen 2.717 N/A GLY 263.A N THR 250.A O no hydrogen 2.838 N/A MET 266.A N LYS 248.A O no hydrogen 2.867 N/A GLN 267.A N GLU 300.A OE1 no hydrogen 2.724 N/A GLN 267.A NE2 TRP 309.A O no hydrogen 2.831 N/A VAL 268.A N GLU 300.A OE2 no hydrogen 2.993 N/A ARG 270.A N ALA 247.A O no hydrogen 2.885 N/A ARG 270.A NE GLU 300.A OE2 no hydrogen 3.023 N/A ARG 270.A NH1 GLY 287.A O no hydrogen 2.989 N/A ARG 270.A NH1 LYS 297.A O no hydrogen 3.524 N/A ARG 270.A NH1 ASN 298.A O no hydrogen 3.188 N/A ARG 270.A NH2 ASN 298.A O no hydrogen 2.836 N/A ARG 270.A NH2 GLU 300.A OE2 no hydrogen 2.748 N/A GLY 271.A N GLY 288.A O no hydrogen 2.903 N/A TYR 272.A N CYS 228.A O no hydrogen 3.041 N/A TYR 272.A OH TYR 495.A OH no hydrogen 2.721 N/A GLN 273.A N GLN 273.A OE1 no hydrogen 2.745 N/A GLN 273.A NE2 THR 242.A O no hydrogen 2.888 N/A GLN 273.A NE2 THR 242.A OG1 no hydrogen 2.979 N/A SER 274.A OG ALA 335.A O no hydrogen 2.693 N/A SER 275.A OG SER 232.A OG no hydrogen 2.735 N/A ALA 276.A N PHE 284.A O no hydrogen 2.739 N/A THR 277.A OG1 MET 233.A O no hydrogen 2.564 N/A MET 278.A N ARG 282.A O no hydrogen 2.722 N/A GLY 281.A N MET 278.A O no hydrogen 3.005 N/A ARG 282.A N ASP 280.A OD1 no hydrogen 3.021 N/A ARG 282.A NE ASP 280.A OD2 no hydrogen 2.817 N/A ARG 282.A NH2 ASP 280.A OD2 no hydrogen 3.110 N/A VAL 283.A N TYR 302.A O no hydrogen 3.064 N/A PHE 284.A N ALA 276.A O no hydrogen 2.916 N/A THR 285.A N GLU 300.A O no hydrogen 2.968 N/A THR 285.A OG1 SER 274.A O no hydrogen 2.731 N/A GLY 287.A N LYS 297.A O no hydrogen 2.906 N/A GLY 288.A N ASP 332.A O no hydrogen 3.405 N/A SER 289.A N ASP 332.A OD1 no hydrogen 2.876 N/A SER 289.A OG PHE 295.A O no hydrogen 3.367 N/A SER 289.A OG ASP 332.A OD2 no hydrogen 2.632 N/A TRP 290.A N GLY 271.A O no hydrogen 3.037 N/A SER 291.A OG GLY 244.A O no hydrogen 2.572 N/A LYS 297.A NZ ALA 269.A O no hydrogen 2.691 N/A LYS 297.A NZ GLY 288.A O no hydrogen 2.989 N/A LYS 297.A NZ GLY 293.A O no hydrogen 2.663 N/A GLY 299.A N ALA 315.A O no hydrogen 2.896 N/A GLU 300.A N THR 285.A O no hydrogen 2.942 N/A VAL 301.A N THR 310.A O no hydrogen 2.868 N/A TYR 302.A N VAL 283.A O no hydrogen 2.713 N/A SER 303.A N THR 308.A O no hydrogen 2.953 N/A SER 303.A OG SER 306.A OG no hydrogen 3.234 N/A SER 305.A N SER 303.A OG no hydrogen 3.202 N/A SER 305.A OG SER 303.A OG no hydrogen 2.957 N/A SER 306.A N SER 303.A OG no hydrogen 3.066 N/A SER 306.A OG THR 308.A OG1 no hydrogen 2.846 N/A LYS 307.A N SER 303.A O no hydrogen 2.804 N/A THR 308.A OG1 SER 306.A OG no hydrogen 2.846 N/A TRP 309.A NE1 THR 250.A OG1 no hydrogen 2.940 N/A THR 310.A N VAL 301.A O no hydrogen 2.799 N/A LEU 312.A N GLY 299.A O no hydrogen 2.716 N/A ASN 314.A N SER 362.A O no hydrogen 2.949 N/A ALA 315.A N LEU 312.A O no hydrogen 2.965 N/A LYS 316.A NZ ASN 314.A OD1 no hydrogen 2.790 N/A VAL 317.A N ASN 298.A OD1 no hydrogen 2.847 N/A ASN 318.A ND2 GLU 296.A OE2 no hydrogen 2.812 N/A MET 320.A N VAL 317.A O no hydrogen 2.948 N/A LEU 321.A N ASN 318.A O no hydrogen 3.149 N/A THR 322.A N SER 331.A O no hydrogen 3.120 N/A ALA 323.A N ASP 380.A OD2 no hydrogen 2.757 N/A ASP 324.A N THR 322.A OG1 no hydrogen 3.281 N/A LYS 325.A N ASP 404.A OD1 no hydrogen 2.839 N/A LYS 325.A NZ.A ASP 404.A OD2 no hydrogen 3.348 N/A LYS 325.A NZ.A GLN 406.A O no hydrogen 3.513 N/A LYS 325.A NZ.A ASP 407.A O no hydrogen 2.908 N/A GLN 326.A N ASP 324.A OD1 no hydrogen 2.886 N/A GLN 326.A NE2 GLN 406.A OE1 no hydrogen 3.688 N/A GLY 327.A N ASP 324.A O no hydrogen 2.947 N/A ARG 330.A N GLY 327.A O no hydrogen 3.078 N/A ARG 330.A NE GLN 326.A OE1 no hydrogen 2.910 N/A ARG 330.A NH2 GLN 406.A OE1 no hydrogen 2.787 N/A SER 331.A N GLY 327.A O no hydrogen 3.007 N/A SER 331.A OG GLY 327.A O no hydrogen 3.427 N/A ASN 333.A N ARG 330.A O no hydrogen 3.009 N/A ASN 333.A ND2 TYR 329.A O no hydrogen 3.635 N/A HIS 334.A N TYR 272.A O no hydrogen 2.837 N/A HIS 334.A NE2 TYR 405.A OH no hydrogen 2.688 N/A TRP 336.A N GLY 349.A O no hydrogen 2.797 N/A PHE 338.A N PHE 346.A O no hydrogen 2.911 N/A TRP 340.A N SER 344.A O no hydrogen 2.839 N/A TRP 340.A NE1 GLY 420.A O no hydrogen 2.806 N/A LYS 341.A NZ GLU 421.A OE2 no hydrogen 2.789 N/A GLY 343.A N SER 279.A OG no hydrogen 2.838 N/A SER 344.A N LYS 341.A O no hydrogen 3.086 N/A SER 344.A OG LYS 341.A O no hydrogen 2.707 N/A VAL 345.A N TYR 357.A O no hydrogen 2.902 N/A PHE 346.A N PHE 338.A O no hydrogen 2.824 N/A GLN 347.A N ASN 355.A O no hydrogen 2.872 N/A GLN 347.A NE2 GLY 349.A O no hydrogen 3.081 N/A GLN 347.A NE2 SER 351.A OG no hydrogen 3.077 N/A GLN 347.A NE2 ALA 353.A O no hydrogen 3.467 N/A ALA 348.A N TRP 336.A O no hydrogen 3.035 N/A SER 351.A OG MET 320.A O no hydrogen 3.264 N/A SER 351.A OG ALA 353.A O no hydrogen 2.648 N/A THR 352.A N ASP 380.A OD1 no hydrogen 3.033 N/A THR 352.A OG1 ALA 378.A O no hydrogen 2.726 N/A THR 352.A OG1 ASP 380.A OD1 no hydrogen 3.527 N/A MET 354.A N GLY 369.A O no hydrogen 2.907 N/A ASN 355.A N GLN 347.A O no hydrogen 2.942 N/A ASN 355.A ND2 PRO 319.A O no hydrogen 3.147 N/A ASN 355.A ND2 GLN 347.A OE1 no hydrogen 2.826 N/A TRP 356.A N LYS 366.A O no hydrogen 2.751 N/A TRP 356.A NE1 THR 424.A O no hydrogen 2.695 N/A TYR 357.A N VAL 345.A O no hydrogen 2.840 N/A TYR 357.A OH LYS 316.A O no hydrogen 2.807 N/A TYR 358.A N ASP 364.A O no hydrogen 2.991 N/A THR 359.A OG1 GLY 343.A O no hydrogen 2.581 N/A GLY 363.A N SER 360.A O no hydrogen 3.001 N/A ASP 364.A N TYR 358.A O no hydrogen 3.147 N/A VAL 365.A N ASP 364.A OD1 no hydrogen 2.821 N/A LYS 366.A N TRP 356.A O no hydrogen 2.835 N/A LYS 366.A NZ GLY 423.A O no hydrogen 2.633 N/A ALA 368.A N MET 354.A O no hydrogen 2.893 N/A ARG 371.A N THR 352.A O no hydrogen 2.883 N/A ARG 371.A NH1 ALA 348.A O no hydrogen 2.829 N/A ARG 371.A NH1 SER 351.A O no hydrogen 2.806 N/A ARG 371.A NH2 PRO 350.A O no hydrogen 3.009 N/A ARG 371.A NH2 PRO 379.A O no hydrogen 3.066 N/A GLN 372.A N THR 428.A OG1 no hydrogen 3.383 N/A SER 373.A N GLY 376.A O no hydrogen 3.099 N/A ARG 375.A N SER 373.A OG no hydrogen 2.933 N/A ARG 375.A NH1 ASN 433.A OD1 no hydrogen 2.943 N/A ARG 375.A NH2 ASN 433.A OD1 no hydrogen 2.790 N/A GLY 376.A N SER 373.A O no hydrogen 2.880 N/A ALA 378.A N ARG 371.A O no hydrogen 2.917 N/A ALA 381.A N PRO 350.A O no hydrogen 2.874 N/A MET 382.A N SER 402.A O no hydrogen 2.773 N/A GLY 384.A N ALA 381.A O no hydrogen 2.884 N/A ASN 385.A N PHE 399.A O no hydrogen 2.979 N/A ASN 385.A ND2 CYS 383.A O no hydrogen 3.492 N/A ASN 385.A ND2 HIS 442.A O no hydrogen 3.050 N/A VAL 387.A N LEU 397.A O no hydrogen 2.859 N/A ALA 391.A N ARG 589.A O no hydrogen 2.679 N/A LYS 393.A N ASP 390.A OD1 no hydrogen 3.044 N/A GLY 394.A N ALA 391.A O no hydrogen 3.239 N/A LYS 395.A N ASP 390.A O no hydrogen 2.834 N/A LYS 395.A NZ THR 418.A OG1 no hydrogen 2.782 N/A ILE 396.A N ILE 417.A O no hydrogen 2.903 N/A LEU 397.A N VAL 387.A O no hydrogen 2.858 N/A THR 398.A N HIS 415.A O no hydrogen 2.924 N/A PHE 399.A N ASN 385.A O no hydrogen 2.961 N/A GLY 400.A N ASN 413.A O no hydrogen 2.897 N/A GLY 401.A N ARG 439.A O no hydrogen 2.787 N/A SER 402.A N MET 382.A O no hydrogen 3.033 N/A SER 402.A OG ASP 404.A O no hydrogen 2.570 N/A ASP 404.A N SER 408.A OG no hydrogen 3.150 N/A TYR 405.A N ASP 324.A OD2 no hydrogen 2.764 N/A TYR 405.A OH HIS 334.A NE2 no hydrogen 2.688 N/A TYR 405.A OH TYR 495.A OH no hydrogen 2.858 N/A ASP 407.A N GLY 461.A O no hydrogen 2.792 N/A ALA 410.A N ARG 459.A O no hydrogen 2.687 N/A THR 411.A N GLY 401.A O no hydrogen 3.027 N/A ASN 413.A N THR 411.A OG1 no hydrogen 3.047 N/A HIS 415.A N THR 398.A O no hydrogen 2.896 N/A ILE 416.A N VAL 429.A O no hydrogen 2.873 N/A ILE 417.A N ILE 396.A O no hydrogen 2.837 N/A THR 418.A N ASN 427.A O no hydrogen 2.931 N/A LEU 419.A N GLY 394.A O no hydrogen 2.772 N/A THR 424.A N GLU 421.A O no hydrogen 3.143 N/A THR 424.A OG1 GLU 421.A O no hydrogen 2.602 N/A THR 428.A OG1 GLN 372.A O no hydrogen 2.777 N/A VAL 429.A N ILE 416.A O no hydrogen 3.044 N/A ALA 431.A N ALA 414.A O no hydrogen 2.834 N/A SER 432.A OG ASP 481.A O no hydrogen 2.964 N/A GLY 434.A N ALA 431.A O no hydrogen 2.858 N/A LEU 435.A N THR 412.A O no hydrogen 2.825 N/A TYR 436.A N GLU 474.A OE1 no hydrogen 2.731 N/A PHE 437.A N GLU 474.A OE2 no hydrogen 3.114 N/A ARG 439.A NE PHE 437.A O no hydrogen 3.417 N/A ARG 439.A NH1 GLY 456.A O no hydrogen 2.912 N/A ARG 439.A NH1 THR 472.A O no hydrogen 3.463 N/A ARG 439.A NH2 THR 472.A O no hydrogen 2.859 N/A ARG 439.A NH2 GLU 474.A OE2 no hydrogen 2.625 N/A THR 440.A N GLN 458.A O no hydrogen 2.901 N/A THR 440.A OG1 MET 382.A O no hydrogen 3.366 N/A HIS 442.A N HIS 442.A ND1 no hydrogen 2.848 N/A HIS 442.A NE2 PHE 399.A O no hydrogen 3.016 N/A THR 443.A N THR 455.A O no hydrogen 2.949 N/A THR 443.A OG1 SER 499.A OG no hydrogen 2.651 N/A SER 444.A OG ASN 385.A OD1 no hydrogen 2.644 N/A VAL 445.A N PHE 453.A O no hydrogen 2.978 N/A VAL 446.A N GLN 587.A OE1 no hydrogen 3.369 N/A LEU 447.A N SER 451.A O no hydrogen 2.881 N/A GLY 450.A N LEU 447.A O no hydrogen 2.870 N/A SER 451.A N ASP 449.A OD1 no hydrogen 3.042 N/A SER 451.A OG ASP 449.A OD1 no hydrogen 2.709 N/A THR 452.A N TYR 476.A O no hydrogen 2.965 N/A PHE 453.A N VAL 445.A O no hydrogen 2.853 N/A ILE 454.A N GLU 474.A O no hydrogen 2.795 N/A THR 455.A N THR 443.A O no hydrogen 2.820 N/A GLY 457.A N ARG 493.A O no hydrogen 2.718 N/A GLN 458.A N THR 440.A O no hydrogen 2.936 N/A GLN 458.A NE2 GLU 465.A O no hydrogen 3.074 N/A GLN 458.A NE2 SER 467.A O no hydrogen 2.798 N/A ARG 459.A N THR 468.A O no hydrogen 2.932 N/A ARG 460.A N THR 468.A OG1 no hydrogen 3.119 N/A ARG 460.A NH1 ASP 409.A OD1 no hydrogen 3.026 N/A GLY 461.A N SER 408.A O no hydrogen 3.188 N/A ILE 462.A N GLN 458.A OE1 no hydrogen 2.879 N/A GLU 465.A N ILE 462.A O no hydrogen 3.022 N/A SER 467.A OG GLU 465.A OE2 no hydrogen 2.602 N/A VAL 470.A N GLY 457.A O no hydrogen 3.001 N/A GLU 474.A N ILE 454.A O no hydrogen 2.937 N/A ILE 475.A N TYR 484.A O no hydrogen 2.832 N/A TYR 476.A N THR 452.A O no hydrogen 2.930 N/A TYR 476.A OH ASP 481.A OD1 no hydrogen 2.565 N/A VAL 477.A N THR 482.A O no hydrogen 2.924 N/A GLN 480.A N VAL 477.A O no hydrogen 3.115 N/A ASP 481.A N PRO 478.A O no hydrogen 3.027 N/A THR 482.A N VAL 477.A O no hydrogen 3.442 N/A THR 482.A OG1 GLN 480.A O no hydrogen 2.901 N/A TYR 484.A N ILE 475.A O no hydrogen 2.779 N/A TYR 484.A OH GLN 480.A OE1 no hydrogen 2.066 N/A GLN 486.A N PRO 473.A O no hydrogen 2.916 N/A GLN 486.A NE2 TYR 484.A O no hydrogen 3.098 N/A ASN 487.A N LEU 158.A O no hydrogen 2.930 N/A ASN 487.A ND2 GLN 155.A O no hydrogen 2.939 N/A ASN 487.A ND2 GLY 159.A O no hydrogen 2.707 N/A ASN 489.A N PHE 471.A O no hydrogen 2.861 N/A ASN 489.A ND2 ILE 491.A O no hydrogen 2.957 N/A ASN 489.A ND2 GLN 526.A OE1 no hydrogen 2.880 N/A SER 490.A N GLU 117.A OE2 no hydrogen 2.805 N/A SER 490.A OG GLU 117.A OE1 no hydrogen 2.731 N/A ARG 493.A NH1 GLY 511.A O no hydrogen 2.946 N/A ARG 493.A NH1 ASP 524.A OD1 no hydrogen 2.816 N/A ARG 493.A NH2 ASP 524.A OD1 no hydrogen 2.910 N/A TYR 495.A OH TYR 272.A OH no hydrogen 2.721 N/A TYR 495.A OH TYR 405.A OH no hydrogen 2.858 N/A HIS 496.A ND1 GLY 513.A O no hydrogen 2.715 N/A HIS 496.A NE2 HIS 581.A NE2 no hydrogen 2.910 N/A SER 497.A N VAL 494.A O no hydrogen 3.087 N/A SER 497.A OG VAL 494.A O no hydrogen 2.697 N/A ILE 498.A N GLY 510.A O no hydrogen 2.826 N/A SER 499.A OG THR 443.A OG1 no hydrogen 2.651 N/A SER 499.A OG ILE 498.A O no hydrogen 3.306 N/A LEU 500.A N PHE 508.A O no hydrogen 2.915 N/A LEU 502.A N ARG 506.A O no hydrogen 2.877 N/A GLY 505.A N LEU 502.A O no hydrogen 2.910 N/A ARG 506.A N ASP 504.A OD1 no hydrogen 3.008 N/A ARG 506.A NE THR 529.A OG1 no hydrogen 3.071 N/A ARG 506.A NH1 ASP 504.A OD2 no hydrogen 3.065 N/A VAL 507.A N PHE 528.A O no hydrogen 2.915 N/A PHE 508.A N LEU 500.A O no hydrogen 2.939 N/A ASN 509.A N GLN 526.A O no hydrogen 3.020 N/A ASN 509.A ND2 ILE 498.A O no hydrogen 3.041 N/A ASN 509.A ND2 SER 499.A OG no hydrogen 2.978 N/A GLY 510.A N ILE 498.A O no hydrogen 2.897 N/A GLY 511.A N ASP 524.A O no hydrogen 3.028 N/A GLY 512.A N HIS 496.A O no hydrogen 2.810 N/A GLY 513.A N TYR 495.A O no hydrogen 2.941 N/A CYS 515.A N ASN 521.A OD1 no hydrogen 2.958 N/A CYS 515.A SG THR 520.A OG1 no hydrogen 3.118 N/A CYS 515.A SG ASN 521.A OD1 no hydrogen 3.820 N/A GLY 516.A N ASP 192.A O no hydrogen 2.808 N/A CYS 518.A N CYS 515.A O no hydrogen 3.227 N/A CYS 518.A SG GLY 516.A O no hydrogen 4.005 N/A CYS 518.A SG THR 520.A OG1 no hydrogen 3.471 N/A THR 520.A OG1 PHE 464.A O no hydrogen 2.599 N/A ASN 521.A ND2 ALA 1.A O no hydrogen 2.953 N/A ASN 521.A ND2 GLY 516.A O no hydrogen 2.882 N/A HIS 522.A N GLY 512.A O no hydrogen 2.912 N/A HIS 522.A NE2 ASP 466.A OD2 no hydrogen 2.774 N/A ALA 525.A N ILE 165.A O no hydrogen 2.996 N/A GLN 526.A N ASN 509.A O no hydrogen 2.717 N/A GLN 526.A NE2 GLU 117.A OE2 no hydrogen 2.754 N/A ILE 527.A N PRO 163.A O no hydrogen 3.121 N/A PHE 528.A N VAL 507.A O no hydrogen 2.832 N/A THR 529.A N ARG 160.A O no hydrogen 2.848 N/A TYR 532.A OH GLY 505.A O no hydrogen 2.559 N/A LEU 533.A N PRO 530.A O no hydrogen 3.092 N/A TYR 534.A N ASN 531.A O no hydrogen 2.973 N/A ASN 535.A N ASN 539.A O no hydrogen 2.723 N/A SER 536.A OG ASN 535.A OD1 no hydrogen 3.097 N/A ASN 537.A N ASN 535.A OD1 no hydrogen 2.803 N/A GLY 538.A N ASN 535.A O no hydrogen 2.885 N/A ALA 541.A N LEU 533.A O no hydrogen 2.713 N/A ARG 543.A NE PRO 629.A O no hydrogen 2.863 N/A ARG 543.A NH1 ASP 504.A O no hydrogen 2.863 N/A ARG 543.A NH2 ASP 504.A O no hydrogen 2.756 N/A ARG 543.A NH2 PRO 629.A O no hydrogen 3.298 N/A ARG 543.A NH2 SER 630.A O no hydrogen 2.956 N/A LYS 545.A N ASP 565.A OD1 no hydrogen 2.928 N/A THR 547.A N SER 563.A O no hydrogen 2.795 N/A ARG 548.A N SER 563.A O no hydrogen 3.345 N/A SER 550.A N THR 561.A O no hydrogen 2.710 N/A SER 550.A OG THR 561.A O no hydrogen 3.322 N/A THR 551.A OG1 SER 553.A O no hydrogen 2.787 N/A SER 553.A N THR 551.A OG1 no hydrogen 3.095 N/A VAL 554.A N ARG 636.A O no hydrogen 2.875 N/A VAL 556.A N THR 638.A O no hydrogen 2.962 N/A GLY 557.A N VAL 606.A O no hydrogen 2.960 N/A GLY 557.A N PRO 607.A O no hydrogen 3.145 N/A GLY 558.A N LYS 555.A O no hydrogen 2.773 N/A ILE 560.A N PHE 604.A O no hydrogen 2.937 N/A THR 561.A N SER 550.A OG no hydrogen 2.850 N/A THR 561.A OG1 SER 603.A OG no hydrogen 2.809 N/A ILE 562.A N TYR 602.A O no hydrogen 2.805 N/A SER 563.A N ARG 548.A O no hydrogen 3.007 N/A THR 564.A N ASN 600.A O no hydrogen 2.977 N/A THR 564.A OG1 SER 566.A O no hydrogen 2.550 N/A ASP 565.A N LYS 545.A O no hydrogen 3.114 N/A SER 566.A OG ASP 565.A OD1 no hydrogen 2.877 N/A SER 567.A OG ASN 600.A OD1 no hydrogen 2.928 N/A ILE 568.A N TYR 602.A OH no hydrogen 3.039 N/A SER 569.A N MET 623.A O no hydrogen 2.826 N/A LYS 570.A N MET 623.A O no hydrogen 3.377 N/A SER 572.A N PHE 621.A O no hydrogen 2.881 N/A SER 572.A OG PRO 448.A O no hydrogen 2.733 N/A LEU 573.A N ILE 590.A O no hydrogen 2.921 N/A ILE 574.A N MET 619.A O no hydrogen 2.784 N/A ARG 575.A N ARG 588.A O no hydrogen 2.970 N/A ARG 575.A NE LEU 614.A O no hydrogen 3.375 N/A ARG 575.A NE PRO 615.A O no hydrogen 3.440 N/A ARG 575.A NH1 ASP 586.A O no hydrogen 3.071 N/A ARG 575.A NH1 ASP 586.A OD1 no hydrogen 2.789 N/A ARG 575.A NH2 MET 233.A O no hydrogen 2.836 N/A ARG 575.A NH2 PRO 615.A O no hydrogen 2.823 N/A TYR 576.A N TYR 617.A O no hydrogen 3.042 N/A TYR 576.A OH THR 634.A OG1 no hydrogen 2.641 N/A THR 578.A OG1 ASP 586.A OD2 no hydrogen 2.535 N/A ALA 579.A N ALA 174.A O no hydrogen 2.785 N/A THR 580.A N VAL 583.A O no hydrogen 3.168 N/A THR 580.A OG1 ALA 172.A O no hydrogen 2.726 N/A THR 580.A OG1 HIS 581.A ND1 no hydrogen 2.871 N/A HIS 581.A ND1 THR 580.A OG1 no hydrogen 2.871 N/A HIS 581.A NE2 TYR 272.A OH no hydrogen 3.077 N/A THR 582.A OG1 HIS 581.A O no hydrogen 2.550 N/A VAL 583.A N THR 580.A O no hydrogen 2.865 N/A THR 585.A OG1 ILE 231.A O no hydrogen 3.501 N/A THR 585.A OG1 SER 275.A O no hydrogen 2.591 N/A ASP 586.A N ASN 584.A OD1 no hydrogen 3.163 N/A GLN 587.A N ASN 584.A OD1 no hydrogen 2.932 N/A GLN 587.A NE2 SER 444.A O no hydrogen 3.159 N/A ARG 588.A NH1 GLY 339.A O no hydrogen 3.450 N/A ARG 588.A NH1 GLY 611.A O no hydrogen 2.891 N/A ARG 588.A NH1 VAL 612.A O no hydrogen 3.099 N/A ARG 588.A NH2 GLY 339.A O no hydrogen 2.793 N/A ARG 589.A N MET 388.A O no hydrogen 3.080 N/A ARG 589.A NE PRO 448.A O no hydrogen 3.242 N/A ARG 589.A NH1 TYR 389.A O no hydrogen 2.863 N/A ILE 590.A N LEU 573.A O no hydrogen 2.858 N/A LEU 592.A N ALA 571.A O no hydrogen 2.960 N/A THR 595.A N SER 603.A O no hydrogen 2.848 N/A ASN 597.A N SER 601.A O no hydrogen 2.753 N/A ASN 597.A ND2 SER 601.A OG no hydrogen 3.167 N/A ASN 597.A ND2 SER 603.A OG no hydrogen 3.140 N/A GLY 598.A N ASN 596.A OD1 no hydrogen 2.883 N/A SER 601.A N GLY 598.A O no hydrogen 3.233 N/A TYR 602.A N ILE 562.A O no hydrogen 2.878 N/A SER 603.A N THR 595.A O no hydrogen 2.906 N/A SER 603.A OG THR 561.A OG1 no hydrogen 2.809 N/A PHE 604.A N ILE 560.A O no hydrogen 3.030 N/A GLN 605.A NE2 GLY 557.A O no hydrogen 2.800 N/A VAL 606.A N GLY 558.A O no hydrogen 2.886 N/A SER 610.A OG SER 279.A O no hydrogen 2.715 N/A GLY 611.A N ASP 609.A OD1 no hydrogen 2.814 N/A VAL 612.A N ASP 609.A O no hydrogen 2.982 N/A ALA 613.A N ASP 609.A O no hydrogen 2.924 N/A GLY 616.A N VAL 637.A O no hydrogen 2.976 N/A TRP 618.A N ILE 635.A O no hydrogen 2.801 N/A TRP 618.A NE1 LEU 614.A O no hydrogen 2.822 N/A MET 619.A N ILE 574.A O no hydrogen 2.732 N/A LEU 620.A N SER 633.A O no hydrogen 2.684 N/A PHE 621.A N SER 572.A O no hydrogen 2.950 N/A VAL 622.A N SER 630.A OG no hydrogen 3.092 N/A MET 623.A N LYS 570.A O no hydrogen 2.881 N/A ASN 624.A N VAL 628.A O no hydrogen 3.104 N/A GLY 627.A N ASN 624.A O no hydrogen 2.893 N/A VAL 628.A N ASN 624.A OD1 no hydrogen 3.124 N/A SER 630.A N VAL 622.A O no hydrogen 2.668 N/A SER 630.A OG VAL 622.A O no hydrogen 3.483 N/A SER 630.A OG VAL 631.A O no hydrogen 2.854 N/A ALA 632.A N PRO 503.A O no hydrogen 2.760 N/A SER 633.A N LEU 620.A O no hydrogen 2.884 N/A THR 634.A OG1 TYR 576.A OH no hydrogen 2.641 N/A ILE 635.A N TRP 618.A O no hydrogen 2.815 N/A ARG 636.A N GLN 552.A O no hydrogen 2.790 N/A ARG 636.A NH2 GLY 235.A O no hydrogen 3.199 N/A VAL 637.A N GLY 616.A O no hydrogen 2.797 N/A THR 638.A N VAL 554.A O no hydrogen 2.867 N/A THR 638.A OG1 VAL 554.A O no hydrogen 3.426 N/A THR 638.A OG1 GLN 639.A OXT no hydrogen 3.322 N/A