Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kff_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1 PRO 60.A O no hydrogen 3.347 N/A HIS 8.A N ASP 11.A OD2 no hydrogen 3.149 N/A ASP 11.A N HIS 8.A O no hydrogen 2.888 N/A SER 14.A N GLU 17.A OE1 no hydrogen 2.967 N/A SER 14.A OG GLU 17.A OE1 no hydrogen 3.540 N/A GLU 17.A N SER 14.A OG no hydrogen 3.161 N/A ILE 18.A N SER 14.A O no hydrogen 2.930 N/A LYS 19.A N THR 15.A O no hydrogen 3.104 N/A LYS 19.A NZ ASP 340.A OD1 no hydrogen 2.621 N/A ALA 20.A N ALA 16.A O no hydrogen 2.892 N/A ALA 21.A N GLU 17.A O no hydrogen 2.838 N/A THR 22.A N ILE 18.A O no hydrogen 2.872 N/A THR 22.A OG1 ILE 18.A O no hydrogen 3.481 N/A THR 22.A OG1 LYS 19.A O no hydrogen 3.309 N/A THR 22.A OG1 GLY 339.A O no hydrogen 2.505 N/A ASN 23.A N LYS 19.A O no hydrogen 2.883 N/A THR 24.A N ALA 20.A O no hydrogen 2.921 N/A THR 24.A OG1 ALA 20.A O no hydrogen 2.782 N/A VAL 25.A N ALA 21.A O no hydrogen 2.961 N/A LYS 26.A N THR 22.A O no hydrogen 2.764 N/A LYS 26.A NZ ALA 338.A O no hydrogen 2.812 N/A SER 27.A N ASN 23.A O no hydrogen 3.063 N/A TYR 28.A N THR 24.A O no hydrogen 3.009 N/A PHE 29.A N VAL 25.A O no hydrogen 3.051 N/A ALA 30.A N SER 27.A O no hydrogen 3.134 N/A LYS 32.A N PHE 29.A O no hydrogen 3.031 N/A SER 35.A N LEU 69.A O no hydrogen 2.949 N/A PHE 36.A N ARG 337.A O no hydrogen 2.838 N/A ASN 37.A N VAL 67.A O no hydrogen 2.746 N/A ASN 37.A ND2 ILE 100.A O no hydrogen 2.760 N/A THR 38.A N VAL 67.A O no hydrogen 3.260 N/A THR 38.A OG1 ASN 37.A OD1 no hydrogen 2.704 N/A THR 40.A N TYR 65.A O no hydrogen 2.879 N/A ARG 42.A N LEU 63.A O no hydrogen 2.841 N/A ARG 46.A NE ASP 449.A OD1 no hydrogen 3.084 N/A ARG 46.A NE ASP 449.A OD2 no hydrogen 2.974 N/A ARG 46.A NH1 ASP 455.A OD1 no hydrogen 2.991 N/A ARG 46.A NH2 ASP 449.A OD1 no hydrogen 2.991 N/A LYS 47.A NZ GLN 51.A OE1 no hydrogen 2.656 N/A TYR 49.A N ALA 45.A O no hydrogen 2.841 N/A TYR 49.A OH HIS 8.A NE2 no hydrogen 3.230 N/A TYR 49.A OH ASP 265.A OD2 no hydrogen 2.704 N/A ILE 50.A N ARG 46.A O no hydrogen 3.005 N/A GLN 51.A N LYS 47.A O no hydrogen 2.969 N/A TRP 52.A N ALA 48.A O no hydrogen 2.927 N/A LYS 53.A N TYR 49.A O no hydrogen 2.756 N/A LYS 53.A NZ ASP 265.A OD2 no hydrogen 2.824 N/A GLU 54.A N ILE 50.A O no hydrogen 2.694 N/A GLN 55.A N GLN 51.A O no hydrogen 2.869 N/A GLY 57.A N GLN 51.A O no hydrogen 2.813 N/A ARG 62.A NE GLU 17.A OE2 no hydrogen 2.680 N/A ARG 62.A NH1 ASP 11.A O no hydrogen 2.848 N/A ARG 62.A NH2 ASP 11.A O no hydrogen 2.863 N/A ARG 62.A NH2 PRO 12.A O no hydrogen 3.096 N/A ARG 62.A NH2 GLU 17.A OE1 no hydrogen 2.844 N/A ARG 62.A NH2 GLU 17.A OE2 no hydrogen 3.521 N/A ALA 64.A N VAL 81.A O no hydrogen 2.967 N/A TYR 65.A N THR 40.A O no hydrogen 2.722 N/A TYR 65.A OH GLU 78.A OE1 no hydrogen 2.508 N/A TYR 66.A N GLY 79.A O no hydrogen 2.995 N/A TYR 66.A OH THR 91.A OG1 no hydrogen 3.153 N/A VAL 67.A N THR 38.A O no hydrogen 2.894 N/A ILE 68.A N LYS 77.A O no hydrogen 2.754 N/A LEU 69.A N SER 35.A O no hydrogen 2.965 N/A ALA 71.A N LYS 33.A O no hydrogen 3.136 N/A LYS 73.A N GLU 70.A O no hydrogen 2.983 N/A VAL 76.A N LEU 94.A O no hydrogen 3.106 N/A LYS 77.A N ILE 68.A O no hydrogen 2.927 N/A LYS 77.A NZ GLU 70.A OE1 no hydrogen 2.861 N/A GLU 78.A N ARG 92.A O no hydrogen 2.966 N/A GLY 79.A N TYR 66.A O no hydrogen 3.043 N/A LEU 80.A N GLU 90.A O no hydrogen 2.978 N/A VAL 81.A N ALA 64.A O no hydrogen 2.819 N/A ASP 82.A N SER 87.A O no hydrogen 2.699 N/A LEU 83.A N ARG 62.A O no hydrogen 3.073 N/A SER 85.A N ASP 82.A OD2 no hydrogen 2.954 N/A SER 85.A OG ASP 82.A O no hydrogen 3.408 N/A SER 85.A OG ASP 82.A OD2 no hydrogen 2.760 N/A SER 85.A OG SER 87.A OG no hydrogen 2.790 N/A SER 87.A N ASP 82.A O no hydrogen 3.226 N/A SER 87.A OG SER 85.A OG no hydrogen 2.790 N/A ILE 89.A N LEU 80.A O no hydrogen 2.849 N/A THR 91.A OG1 TYR 66.A OH no hydrogen 3.153 N/A ARG 92.A N GLU 78.A O no hydrogen 2.903 N/A ARG 92.A NE GLU 78.A OE2 no hydrogen 2.958 N/A ARG 92.A NH2 GLU 78.A OE2 no hydrogen 2.764 N/A LEU 94.A N VAL 76.A O no hydrogen 2.867 N/A GLN 98.A NE2 THR 151.A O no hydrogen 2.904 N/A LEU 101.A N GLU 307.A O no hydrogen 2.830 N/A THR 102.A N ASP 105.A OD2 no hydrogen 2.998 N/A ASP 105.A N THR 102.A OG1 no hydrogen 3.029 N/A LEU 106.A N THR 102.A O no hydrogen 3.061 N/A CYS 107.A N VAL 103.A O no hydrogen 2.869 N/A CYS 107.A SG GLU 104.A O no hydrogen 3.258 N/A THR 109.A N LEU 106.A O no hydrogen 3.204 N/A THR 109.A OG1 LEU 106.A O no hydrogen 3.356 N/A THR 109.A OG1 GLN 156.A OE1 no hydrogen 2.524 N/A VAL 112.A N SER 108.A O no hydrogen 2.989 N/A ILE 113.A N THR 109.A O no hydrogen 2.923 N/A ARG 114.A N GLU 110.A O no hydrogen 2.999 N/A ARG 114.A NE VAL 136.A O no hydrogen 2.750 N/A ARG 114.A NH1 GLU 111.A OE2 no hydrogen 2.930 N/A ARG 114.A NH2 VAL 136.A O no hydrogen 2.801 N/A ASN 115.A N GLU 111.A O no hydrogen 3.268 N/A ASN 115.A N VAL 112.A O no hydrogen 3.360 N/A ASN 115.A ND2 GLU 111.A O no hydrogen 2.878 N/A ASN 115.A ND2 GLU 111.A OE1 no hydrogen 3.209 N/A ASP 116.A N ILE 113.A O no hydrogen 3.270 N/A VAL 119.A N ASP 116.A OD2 no hydrogen 2.896 N/A ILE 120.A N ASP 116.A O no hydrogen 2.884 N/A GLU 121.A N PRO 117.A O no hydrogen 3.068 N/A GLN 122.A N ALA 118.A O no hydrogen 3.219 N/A CYS 123.A N VAL 119.A O no hydrogen 2.944 N/A CYS 123.A SG VAL 119.A O no hydrogen 3.483 N/A VAL 124.A N ILE 120.A O no hydrogen 2.872 N/A LEU 125.A N GLU 121.A O no hydrogen 2.961 N/A SER 126.A N GLN 122.A O no hydrogen 2.971 N/A SER 126.A N CYS 123.A O no hydrogen 2.990 N/A SER 126.A OG GLN 122.A O no hydrogen 2.642 N/A GLY 127.A N VAL 124.A O no hydrogen 2.995 N/A ILE 128.A N CYS 123.A O no hydrogen 2.874 N/A GLU 132.A N PRO 129.A O no hydrogen 2.776 N/A LYS 135.A N GLU 132.A O no hydrogen 2.936 N/A LYS 135.A NZ GLU 132.A OE1 no hydrogen 3.133 N/A VAL 136.A N MET 133.A O no hydrogen 3.010 N/A TYR 137.A N TYR 161.A O no hydrogen 2.803 N/A CYS 138.A N GLU 110.A OE2 no hydrogen 2.846 N/A ASP 139.A N LEU 159.A O no hydrogen 2.890 N/A TRP 141.A N GLN 157.A O no hydrogen 2.911 N/A THR 142.A N TYR 308.A OH no hydrogen 2.948 N/A ILE 143.A N LEU 155.A O no hydrogen 3.354 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.697 N/A ARG 148.A N ASP 146.A OD1 no hydrogen 2.976 N/A ARG 148.A NE ASP 146.A OD1 no hydrogen 2.926 N/A ARG 148.A NH1 ASP 192.A OD1 no hydrogen 3.013 N/A ARG 148.A NH2 ASP 146.A OD2 no hydrogen 2.809 N/A ARG 148.A NH2 ASP 192.A OD1 no hydrogen 3.037 N/A ARG 148.A NH2 ASP 192.A OD2 no hydrogen 3.296 N/A TRP 149.A N ASP 146.A O no hydrogen 2.945 N/A GLY 150.A N ASP 146.A O no hydrogen 3.076 N/A THR 151.A OG1 THR 96.A O no hydrogen 2.922 N/A GLY 152.A N TRP 149.A O no hydrogen 3.061 N/A ARG 154.A NH1 ASP 105.A OD2 no hydrogen 3.331 N/A ARG 154.A NH1 GLU 184.A OE1 no hydrogen 2.944 N/A ARG 154.A NH2 PRO 99.A O no hydrogen 3.396 N/A ARG 154.A NH2 ASP 105.A OD2 no hydrogen 2.921 N/A LEU 155.A N GLN 573.A OE1 no hydrogen 2.790 N/A GLN 156.A N VAL 181.A O no hydrogen 2.863 N/A GLN 156.A NE2 ASP 105.A O no hydrogen 3.150 N/A GLN 156.A NE2 THR 183.A OG1 no hydrogen 2.813 N/A GLN 157.A N TRP 141.A O no hydrogen 2.890 N/A GLN 157.A NE2 THR 142.A O no hydrogen 2.793 N/A GLN 157.A NE2 ARG 299.A O no hydrogen 3.173 N/A ALA 158.A N PRO 179.A O no hydrogen 2.941 N/A LEU 159.A N ASP 139.A O no hydrogen 3.016 N/A TYR 161.A N TYR 137.A O no hydrogen 2.740 N/A TYR 161.A OH THR 415.A O no hydrogen 2.801 N/A TYR 162.A N HIS 173.A O no hydrogen 2.852 N/A ARG 163.A N LYS 135.A O no hydrogen 2.986 N/A ARG 163.A NE GLN 170.A OE1 no hydrogen 2.922 N/A ARG 163.A NH1 GLU 166.A O no hydrogen 2.924 N/A ARG 163.A NH2 GLN 170.A OE1 no hydrogen 2.846 N/A SER 164.A OG ASP 168.A OD2 no hydrogen 2.515 N/A ASP 165.A N ASP 168.A OD2 no hydrogen 2.877 N/A ASP 167.A N ASP 165.A OD1 no hydrogen 2.855 N/A ASP 168.A N ASP 165.A O no hydrogen 2.927 N/A SER 169.A N ASN 207.A OD1 no hydrogen 2.662 N/A TYR 171.A OH ASP 139.A OD1 no hydrogen 3.290 N/A TYR 171.A OH ASP 139.A OD2 no hydrogen 2.544 N/A SER 172.A OG HIS 173.A ND1 no hydrogen 2.729 N/A HIS 173.A N GLN 170.A O no hydrogen 2.856 N/A HIS 173.A ND1 SER 172.A OG no hydrogen 2.729 N/A HIS 173.A NE2 HIS 203.A O no hydrogen 2.834 N/A LEU 175.A N VAL 160.A O no hydrogen 3.006 N/A CYS 178.A N ASP 192.A O no hydrogen 2.928 N/A CYS 178.A SG GLN 157.A OE1 no hydrogen 3.936 N/A CYS 178.A SG ALA 158.A O no hydrogen 3.829 N/A CYS 178.A SG PRO 179.A O no hydrogen 4.005 N/A ILE 180.A N PHE 190.A O no hydrogen 2.674 N/A VAL 181.A N GLN 156.A O no hydrogen 2.751 N/A ASP 182.A N LYS 187.A O no hydrogen 2.853 N/A THR 183.A N ARG 154.A O no hydrogen 2.754 N/A THR 183.A OG1 ARG 154.A O no hydrogen 3.349 N/A GLU 184.A N ASP 182.A OD1 no hydrogen 2.986 N/A GLU 185.A N ASP 182.A OD1 no hydrogen 3.114 N/A LYS 186.A N ASP 182.A O no hydrogen 2.889 N/A LYS 187.A N ASP 182.A O no hydrogen 3.471 N/A ILE 189.A N ILE 180.A O no hydrogen 2.846 N/A ASP 192.A N CYS 178.A O no hydrogen 2.910 N/A ARG 197.A NE ASP 176.A OD1 no hydrogen 3.420 N/A ARG 197.A NE ASP 176.A OD2 no hydrogen 2.764 N/A ARG 197.A NH1 GLN 122.A OE1 no hydrogen 2.820 N/A ARG 197.A NH2 GLN 122.A OE1 no hydrogen 2.916 N/A ARG 197.A NH2 ASP 176.A OD1 no hydrogen 2.835 N/A ARG 197.A NH2 ASP 176.A OD2 no hydrogen 3.560 N/A ARG 198.A N ASP 176.A OD2 no hydrogen 2.703 N/A ARG 198.A NE GLU 422.A OE1 no hydrogen 2.991 N/A ARG 198.A NH1 ARG 196.A O no hydrogen 3.120 N/A ARG 198.A NH2 GLU 422.A OE1 no hydrogen 3.306 N/A ARG 198.A NH2 GLU 422.A OE2 no hydrogen 2.835 N/A VAL 200.A N SER 126.A O no hydrogen 2.884 N/A HIS 203.A N SER 201.A OG no hydrogen 2.998 N/A HIS 205.A NE2 TYR 162.A O no hydrogen 2.864 N/A ALA 206.A N SER 172.A OG no hydrogen 3.142 N/A ASN 207.A ND2 ASP 168.A OD1 no hydrogen 3.092 N/A TYR 209.A N HIS 212.A ND1 no hydrogen 3.293 N/A LYS 211.A NZ ASP 167.A OD2 no hydrogen 2.850 N/A MET 213.A N TYR 209.A O no hydrogen 2.938 N/A ILE 214.A N PRO 210.A O no hydrogen 2.990 N/A GLU 215.A N LYS 211.A O no hydrogen 3.388 N/A LYS 216.A N HIS 212.A O no hydrogen 2.839 N/A LYS 216.A NZ ASN 207.A O no hydrogen 2.736 N/A VAL 217.A N MET 213.A O no hydrogen 2.605 N/A GLY 218.A N ILE 214.A O no hydrogen 2.820 N/A GLN 231.A NE2 GLU 352.A OE2 no hydrogen 3.068 N/A GLY 234.A N GLN 231.A O no hydrogen 2.732 N/A SER 236.A N GLU 352.A OE2 no hydrogen 2.893 N/A SER 236.A OG GLU 352.A OE1 no hydrogen 2.658 N/A LYS 238.A N GLU 245.A O no hydrogen 2.847 N/A THR 240.A N VAL 243.A O no hydrogen 2.765 N/A ASN 242.A ND2 ASP 11.A OD1 no hydrogen 2.857 N/A VAL 243.A N THR 240.A O no hydrogen 2.955 N/A MET 244.A N PHE 251.A O no hydrogen 2.749 N/A GLU 245.A N LYS 238.A O no hydrogen 2.936 N/A TRP 246.A N PHE 249.A O no hydrogen 3.086 N/A TRP 246.A NE1 GLU 352.A OE1 no hydrogen 3.063 N/A PHE 249.A N TRP 246.A O no hydrogen 2.819 N/A LYS 250.A N SER 267.A O no hydrogen 2.900 N/A PHE 251.A N MET 244.A O no hydrogen 3.144 N/A HIS 252.A N SER 264.A O no hydrogen 2.856 N/A HIS 252.A NE2 ASP 11.A OD1 no hydrogen 2.785 N/A ILE 253.A N ASN 242.A O no hydrogen 2.899 N/A GLY 254.A N VAL 262.A O no hydrogen 2.734 N/A ASN 256.A N GLY 260.A O no hydrogen 2.874 N/A ASN 256.A ND2 GLU 259.A OE2 no hydrogen 2.870 N/A ARG 258.A N ASN 256.A OD1 no hydrogen 2.737 N/A ARG 258.A NH1 TYR 257.A OH no hydrogen 3.538 N/A ARG 258.A NH1 ASP 569.A O no hydrogen 2.764 N/A ARG 258.A NH2 GLY 568.A O no hydrogen 2.953 N/A ARG 258.A NH2 ASP 569.A O no hydrogen 3.409 N/A GLU 259.A N ASN 256.A OD1 no hydrogen 2.805 N/A GLY 260.A N ASN 256.A O no hydrogen 3.131 N/A ILE 261.A N GLN 383.A OE1 no hydrogen 2.960 N/A VAL 262.A N GLY 254.A O no hydrogen 2.998 N/A LEU 263.A N ILE 281.A O no hydrogen 3.064 N/A SER 264.A N HIS 252.A O no hydrogen 2.908 N/A ASP 265.A N HIS 279.A O no hydrogen 2.857 N/A VAL 266.A N PHE 278.A O no hydrogen 2.749 N/A SER 267.A N LYS 250.A O no hydrogen 2.871 N/A TYR 268.A N ARG 275.A O no hydrogen 2.924 N/A ASN 269.A N ASN 248.A O no hydrogen 2.720 N/A ASP 270.A N ASN 273.A O no hydrogen 2.780 N/A GLY 272.A N ASN 269.A OD1 no hydrogen 2.583 N/A ASN 273.A N ASP 270.A O no hydrogen 3.027 N/A ARG 275.A N TYR 268.A O no hydrogen 2.747 N/A ARG 275.A NE ASP 453.A OD1 no hydrogen 2.871 N/A ARG 275.A NH1 ASP 270.A OD2 no hydrogen 2.905 N/A ARG 275.A NH1 PHE 632.A O no hydrogen 2.969 N/A ARG 275.A NH2 ASP 453.A OD2 no hydrogen 2.802 N/A ARG 275.A NH2 PHE 632.A O no hydrogen 2.883 N/A ILE 277.A N VAL 266.A O no hydrogen 2.810 N/A PHE 278.A N VAL 266.A O no hydrogen 3.365 N/A HIS 279.A N ASP 449.A O no hydrogen 2.858 N/A ARG 280.A N ASP 449.A O no hydrogen 3.166 N/A ARG 280.A NE GLU 43.A OE1 no hydrogen 2.741 N/A ARG 280.A NE GLU 43.A OE2 no hydrogen 3.457 N/A ARG 280.A NH1 GLU 259.A OE1 no hydrogen 2.838 N/A ARG 280.A NH2 GLU 43.A OE1 no hydrogen 3.489 N/A ARG 280.A NH2 GLU 43.A OE2 no hydrogen 2.852 N/A ARG 280.A NH2 GLU 259.A OE1 no hydrogen 3.497 N/A ARG 280.A NH2 GLU 259.A OE2 no hydrogen 3.034 N/A ILE 281.A N LEU 263.A O no hydrogen 2.853 N/A SER 282.A N ARG 447.A O no hydrogen 3.193 N/A SER 282.A OG GLU 259.A OE1 no hydrogen 2.636 N/A SER 284.A N SER 445.A O no hydrogen 2.887 N/A SER 284.A OG SER 445.A O no hydrogen 3.108 N/A MET 286.A N GLU 285.A OE1 no hydrogen 3.000 N/A ILE 287.A N LEU 443.A O no hydrogen 2.805 N/A VAL 288.A N ALA 302.A O no hydrogen 2.993 N/A TYR 290.A N LYS 300.A O no hydrogen 3.048 N/A GLY 291.A N ASN 439.A O no hydrogen 2.803 N/A GLU 294.A N SER 292.A OG no hydrogen 3.276 N/A HIS 297.A N GLU 294.A O no hydrogen 2.797 N/A GLN 298.A N GLN 298.A OE1 no hydrogen 2.936 N/A ARG 299.A N PRO 296.A O no hydrogen 2.957 N/A ARG 299.A NE GLN 157.A OE1 no hydrogen 2.878 N/A ARG 299.A NH1 ASP 146.A OD2 no hydrogen 2.937 N/A ARG 299.A NH1 ASP 192.A OD2 no hydrogen 2.673 N/A ARG 299.A NH2 GLN 157.A OE1 no hydrogen 3.133 N/A ARG 299.A NH2 ASP 192.A OD2 no hydrogen 2.927 N/A LYS 300.A N HIS 297.A O no hydrogen 3.030 N/A LYS 300.A NZ ASN 414.A OD1 no hydrogen 2.737 N/A LYS 300.A NZ HIS 438.A ND1 no hydrogen 3.060 N/A LEU 303.A N GLU 307.A OE1 no hydrogen 2.876 N/A GLY 306.A N GLU 285.A OE1 no hydrogen 2.867 N/A GLU 307.A N LEU 303.A O no hydrogen 2.753 N/A TYR 308.A N ASP 304.A O no hydrogen 2.868 N/A GLY 309.A N ASP 304.A O no hydrogen 2.827 N/A ALA 310.A N ARG 258.A O no hydrogen 2.711 N/A GLY 311.A N TYR 257.A O no hydrogen 2.779 N/A TYR 312.A N TYR 257.A O no hydrogen 2.977 N/A TYR 312.A OH ASN 37.A O no hydrogen 2.848 N/A MET 313.A N GLY 309.A O no hydrogen 3.017 N/A THR 314.A N GLY 311.A O no hydrogen 2.972 N/A THR 314.A OG1 ILE 384.A O no hydrogen 3.390 N/A ASN 315.A N ILE 384.A O no hydrogen 2.692 N/A ASN 315.A ND2 THR 386.A OG1 no hydrogen 3.002 N/A LEU 317.A N ASN 346.A O no hydrogen 2.945 N/A SER 318.A N ASP 322.A OD2 no hydrogen 3.099 N/A GLY 320.A N CYS 323.A O no hydrogen 3.237 N/A CYS 321.A SG SER 318.A OG no hydrogen 2.879 N/A CYS 321.A SG ASP 322.A OD2 no hydrogen 3.510 N/A ASP 322.A N SER 318.A O no hydrogen 3.282 N/A LYS 324.A NZ ILE 227.A O no hydrogen 2.947 N/A HIS 328.A N ILE 350.A O no hydrogen 2.886 N/A LEU 330.A N VAL 348.A O no hydrogen 2.858 N/A ALA 332.A N VAL 344.A O no hydrogen 2.857 N/A HIS 333.A ND1 THR 343.A OG1 no hydrogen 2.903 N/A PHE 334.A N ILE 342.A O no hydrogen 2.828 N/A SER 335.A OG ASP 336.A O no hydrogen 2.768 N/A ASP 336.A N ASP 340.A O no hydrogen 2.907 N/A ARG 337.A N GLU 104.A OE1 no hydrogen 2.625 N/A ARG 337.A NH1 ASP 105.A OD1 no hydrogen 2.551 N/A ARG 337.A NH1 GLU 184.A OE1 no hydrogen 3.396 N/A ARG 337.A NH1 GLU 184.A OE2 no hydrogen 3.545 N/A ARG 337.A NH2 GLU 184.A OE2 no hydrogen 2.883 N/A ALA 338.A N ASP 336.A OD1 no hydrogen 2.874 N/A GLY 339.A N ASP 336.A O no hydrogen 3.014 N/A ASP 340.A N ASP 336.A OD1 no hydrogen 3.044 N/A ILE 342.A N PHE 334.A O no hydrogen 2.718 N/A THR 343.A OG1 HIS 333.A ND1 no hydrogen 2.903 N/A VAL 344.A N ALA 332.A O no hydrogen 2.740 N/A LYS 345.A NZ ASP 331.A OD2 no hydrogen 2.722 N/A ASN 346.A N ASP 331.A OD1 no hydrogen 2.794 N/A VAL 348.A N LEU 330.A O no hydrogen 3.095 N/A CYS 349.A N SER 382.A O no hydrogen 2.912 N/A CYS 349.A SG SER 382.A OG no hydrogen 3.326 N/A ILE 350.A N HIS 328.A O no hydrogen 2.866 N/A HIS 351.A N VAL 380.A O no hydrogen 2.995 N/A HIS 351.A NE2 GLU 353.A OE2 no hydrogen 3.288 N/A GLU 353.A N LYS 378.A O no hydrogen 2.928 N/A ASP 355.A N ALA 376.A O no hydrogen 2.759 N/A GLY 356.A N ASP 354.A OD1 no hydrogen 3.078 N/A LEU 358.A N THR 374.A O no hydrogen 2.754 N/A PHE 359.A N THR 374.A O no hydrogen 3.189 N/A HIS 361.A N LEU 372.A O no hydrogen 3.004 N/A SER 362.A OG SER 371.A OG no hydrogen 2.876 N/A ASP 363.A N THR 370.A O no hydrogen 2.864 N/A ARG 365.A N ASP 363.A OD1 no hydrogen 2.871 N/A ARG 365.A NH1 ASP 363.A OD1 no hydrogen 2.767 N/A ARG 365.A NH1 ASP 363.A OD2 no hydrogen 3.501 N/A ASN 367.A N PHE 364.A O no hydrogen 3.149 N/A PHE 368.A N ASP 363.A O no hydrogen 2.844 N/A ALA 369.A N ASP 366.A O no hydrogen 3.075 N/A THR 370.A N ASP 366.A OD1 no hydrogen 2.863 N/A THR 370.A OG1 ASP 366.A OD2 no hydrogen 2.465 N/A THR 370.A OG1 THR 649.A OG1 no hydrogen 2.716 N/A SER 371.A N MET 647.A O no hydrogen 2.945 N/A SER 371.A OG SER 362.A OG no hydrogen 2.876 N/A LEU 372.A N HIS 361.A O no hydrogen 2.960 N/A VAL 373.A N TYR 645.A O no hydrogen 2.940 N/A THR 374.A N PHE 359.A O no hydrogen 2.930 N/A ARG 375.A NE ASP 354.A OD2 no hydrogen 2.998 N/A ARG 375.A NH2 ASP 354.A OD1 no hydrogen 3.033 N/A ARG 375.A NH2 ASP 354.A OD2 no hydrogen 3.138 N/A ALA 376.A N GLY 356.A O no hydrogen 2.703 N/A THR 377.A N GLN 399.A OE1 no hydrogen 2.877 N/A LYS 378.A N GLU 353.A O no hydrogen 2.965 N/A LEU 379.A N PHE 397.A O no hydrogen 2.991 N/A VAL 380.A N HIS 351.A O no hydrogen 2.843 N/A VAL 381.A N TRP 395.A O no hydrogen 2.859 N/A SER 382.A N CYS 349.A O no hydrogen 2.918 N/A GLN 383.A N LEU 393.A O no hydrogen 3.169 N/A GLN 383.A NE2 ALA 310.A O no hydrogen 3.175 N/A GLN 383.A NE2 THR 314.A OG1 no hydrogen 2.881 N/A PHE 385.A N TYR 391.A O no hydrogen 2.960 N/A THR 386.A N MET 313.A O no hydrogen 3.018 N/A THR 386.A OG1 GLU 390.A OE1 no hydrogen 2.704 N/A ASN 389.A ND2 ILE 412.A O no hydrogen 2.881 N/A TYR 391.A N PHE 385.A O no hydrogen 2.808 N/A TYR 391.A OH HIS 442.A ND1 no hydrogen 2.868 N/A CYS 392.A N ARG 408.A O no hydrogen 2.885 N/A CYS 392.A SG ARG 408.A O no hydrogen 3.641 N/A LEU 393.A N GLN 383.A O no hydrogen 2.842 N/A TYR 394.A N ASP 406.A O no hydrogen 2.842 N/A TRP 395.A N VAL 381.A O no hydrogen 2.785 N/A VAL 396.A N ARG 404.A O no hydrogen 2.840 N/A PHE 397.A N LEU 379.A O no hydrogen 2.798 N/A MET 398.A N ALA 402.A O no hydrogen 2.907 N/A GLY 401.A N MET 398.A O no hydrogen 2.841 N/A ALA 402.A N ASP 400.A OD1 no hydrogen 3.020 N/A ILE 403.A N LEU 627.A O no hydrogen 2.908 N/A ARG 404.A N VAL 396.A O no hydrogen 2.851 N/A ARG 404.A NE ASP 406.A OD1 no hydrogen 2.971 N/A ARG 404.A NE ASP 406.A OD2 no hydrogen 3.037 N/A ARG 404.A NH2 ASP 406.A OD2 no hydrogen 2.918 N/A LEU 405.A N LEU 625.A O no hydrogen 2.966 N/A ASP 406.A N TYR 394.A O no hydrogen 2.796 N/A ILE 407.A N ILE 623.A O no hydrogen 2.841 N/A ARG 408.A N CYS 392.A O no hydrogen 2.900 N/A LEU 409.A N GLU 621.A O no hydrogen 2.869 N/A THR 410.A N GLU 390.A O no hydrogen 2.993 N/A THR 410.A OG1 MET 618.A O no hydrogen 2.672 N/A GLY 411.A N THR 410.A OG1 no hydrogen 2.692 N/A ILE 412.A N ASN 389.A O no hydrogen 2.819 N/A THR 415.A OG1 TYR 171.A O no hydrogen 2.700 N/A TYR 416.A N ASN 436.A O no hydrogen 2.839 N/A TYR 416.A OH ASP 176.A O no hydrogen 2.821 N/A LEU 418.A N ASN 434.A O no hydrogen 2.914 N/A GLY 419.A N GLU 422.A OE1 no hydrogen 2.793 N/A GLU 422.A N GLY 419.A O no hydrogen 2.965 N/A GLY 425.A N GLU 423.A OE2 no hydrogen 3.011 N/A GLY 428.A N ALA 424.A O no hydrogen 3.104 N/A THR 429.A N ALA 437.A O no hydrogen 2.952 N/A THR 429.A OG1 PRO 610.A O no hydrogen 2.549 N/A VAL 431.A N VAL 435.A O no hydrogen 3.281 N/A TYR 432.A OH LYS 204.A O no hydrogen 2.550 N/A ASN 434.A ND2 LEU 418.A O no hydrogen 2.785 N/A ASN 434.A ND2 ASP 420.A OD1 no hydrogen 3.012 N/A VAL 435.A N TYR 432.A O no hydrogen 3.018 N/A ASN 436.A N TYR 416.A O no hydrogen 2.804 N/A ALA 437.A N THR 429.A O no hydrogen 2.966 N/A ASN 439.A N TRP 427.A O no hydrogen 2.759 N/A ASN 439.A ND2 PRO 426.A O no hydrogen 3.104 N/A HIS 440.A N HIS 608.A O no hydrogen 3.199 N/A HIS 440.A ND1 HIS 438.A O no hydrogen 2.969 N/A GLN 441.A N PRO 289.A O no hydrogen 3.085 N/A GLN 441.A NE2 PRO 534.A O no hydrogen 2.930 N/A GLN 441.A NE2 THR 607.A OG1 no hydrogen 3.007 N/A HIS 442.A N ILE 606.A O no hydrogen 2.876 N/A HIS 442.A ND1 TYR 391.A OH no hydrogen 2.868 N/A LEU 443.A N ILE 287.A O no hydrogen 2.918 N/A PHE 444.A N PHE 604.A O no hydrogen 2.787 N/A SER 445.A N GLU 285.A O no hydrogen 2.878 N/A LEU 446.A N HIS 602.A O no hydrogen 2.856 N/A ARG 447.A N SER 282.A O no hydrogen 2.867 N/A ARG 447.A NE ARG 563.A O no hydrogen 2.796 N/A ARG 447.A NH2 ARG 563.A O no hydrogen 3.038 N/A ILE 448.A N PHE 600.A O no hydrogen 2.799 N/A ASP 449.A N ARG 280.A O no hydrogen 2.826 N/A ARG 451.A N ILE 277.A O no hydrogen 2.816 N/A ARG 451.A NE ASP 455.A OD1 no hydrogen 3.074 N/A ARG 451.A NE ASP 455.A OD2 no hydrogen 3.438 N/A ARG 451.A NH1 GLU 54.A OE1 no hydrogen 2.869 N/A ARG 451.A NH1 GLU 54.A OE2 no hydrogen 3.376 N/A ARG 451.A NH1 ASP 455.A OD2 no hydrogen 3.157 N/A ARG 451.A NH2 GLU 54.A OE2 no hydrogen 2.895 N/A ILE 452.A N ASN 457.A OD1 no hydrogen 2.902 N/A ASP 453.A N PRO 276.A O no hydrogen 2.893 N/A GLY 454.A N ARG 451.A O no hydrogen 3.053 N/A ASN 457.A N THR 596.A O no hydrogen 2.950 N/A ASN 457.A ND2 ILE 452.A O no hydrogen 3.591 N/A ASN 457.A ND2 GLY 454.A O no hydrogen 3.137 N/A SER 458.A N PHE 510.A O no hydrogen 2.824 N/A SER 458.A OG ASP 594.A OD1 no hydrogen 2.737 N/A ALA 460.A N ASP 508.A O no hydrogen 2.968 N/A ALA 461.A N THR 487.A O no hydrogen 3.046 N/A CYS 462.A N SER 506.A O no hydrogen 2.802 N/A CYS 462.A SG ASP 508.A OD2 no hydrogen 3.391 N/A ASP 463.A N GLU 485.A O no hydrogen 2.900 N/A ALA 464.A N THR 503.A O no hydrogen 2.840 N/A LYS 465.A N TYR 483.A O no hydrogen 2.908 N/A LYS 465.A NZ GLU 485.A OE1 no hydrogen 2.934 N/A SER 466.A OG.B SER 467.A O no hydrogen 3.516 N/A SER 467.A N ALA 481.A O no hydrogen 3.014 N/A TYR 469.A N SER 467.A OG no hydrogen 3.143 N/A GLY 472.A N MET 477.A O no hydrogen 2.936 N/A SER 473.A N PRO 470.A O no hydrogen 3.101 N/A SER 473.A OG PRO 470.A O no hydrogen 2.792 N/A SER 473.A OG GLU 475.A OE1 no hydrogen 3.491 N/A ASN 476.A N SER 473.A O no hydrogen 3.177 N/A ASN 476.A ND2 TYR 469.A O no hydrogen 3.064 N/A GLY 479.A N ASN 476.A O no hydrogen 2.912 N/A ALA 481.A N ASN 476.A OD1 no hydrogen 2.929 N/A TYR 483.A N LYS 465.A O no hydrogen 2.851 N/A TYR 483.A OH GLU 485.A OE2 no hydrogen 3.143 N/A GLU 485.A N ASP 463.A O no hydrogen 2.722 N/A THR 487.A N ALA 461.A O no hydrogen 2.823 N/A PHE 489.A N ALA 459.A O no hydrogen 2.851 N/A LYS 490.A N ASP 494.A OD2 no hydrogen 3.107 N/A THR 491.A N ASP 494.A OD2 no hydrogen 2.966 N/A THR 491.A OG1 ASP 494.A OD2 no hydrogen 3.429 N/A THR 491.A OG1 GLY 589.A O no hydrogen 3.206 N/A VAL 492.A N GLU 591.A O no hydrogen 3.061 N/A LYS 493.A N GLY 589.A O no hydrogen 3.013 N/A ASP 494.A N THR 491.A O no hydrogen 2.973 N/A SER 495.A N VAL 492.A O no hydrogen 2.834 N/A SER 495.A OG VAL 492.A O no hydrogen 2.583 N/A SER 495.A OG VAL 556.A O no hydrogen 3.325 N/A LEU 496.A N LYS 493.A O no hydrogen 3.260 N/A THR 497.A N VAL 554.A O no hydrogen 3.299 N/A THR 497.A OG1 SER 495.A O no hydrogen 2.844 N/A TYR 499.A N SER 553.A OG no hydrogen 3.055 N/A THR 503.A N GLU 500.A O no hydrogen 3.293 N/A THR 503.A OG1 ASP 463.A OD1 no hydrogen 2.581 N/A THR 503.A OG1 GLU 500.A O no hydrogen 3.568 N/A GLY 504.A N SER 501.A O no hydrogen 3.223 N/A ARG 505.A N GLU 500.A O no hydrogen 3.129 N/A ARG 505.A NE ASP 463.A OD1 no hydrogen 2.747 N/A ARG 505.A NE ASP 463.A OD2 no hydrogen 3.457 N/A ARG 505.A NH1 ASN 498.A O no hydrogen 2.887 N/A ARG 505.A NH2 ASP 463.A OD1 no hydrogen 3.561 N/A ARG 505.A NH2 ASP 463.A OD2 no hydrogen 3.067 N/A SER 506.A N CYS 462.A O no hydrogen 2.987 N/A TRP 507.A N LEU 527.A O no hydrogen 3.227 N/A TRP 507.A NE1 THR 497.A OG1 no hydrogen 2.920 N/A ASP 508.A N ALA 460.A O no hydrogen 2.929 N/A ILE 509.A N TYR 525.A O no hydrogen 2.804 N/A PHE 510.A N SER 458.A O no hydrogen 2.905 N/A ASN 511.A N PRO 523.A O no hydrogen 3.161 N/A ASN 511.A ND2 ILE 452.A O no hydrogen 2.712 N/A ASN 513.A N ASN 511.A OD1 no hydrogen 3.039 N/A ASN 513.A ND2 ASN 511.A OD1 no hydrogen 2.861 N/A ASN 513.A ND2 ASN 595.A OD1 no hydrogen 2.948 N/A LYS 514.A N ASN 511.A O no hydrogen 3.220 N/A LYS 514.A NZ ASP 453.A O no hydrogen 2.858 N/A ASN 516.A N LYS 521.A O no hydrogen 2.751 N/A ASN 516.A ND2 HIS 631.A O no hydrogen 2.998 N/A ASN 516.A ND2 PHE 633.A O no hydrogen 2.890 N/A TYR 518.A N ASN 516.A OD1 no hydrogen 2.902 N/A SER 519.A N ASN 516.A OD1 no hydrogen 3.099 N/A SER 519.A OG HIS 631.A ND1 no hydrogen 2.782 N/A GLY 520.A N ASN 516.A O no hydrogen 2.900 N/A LYS 521.A N SER 519.A OG no hydrogen 3.253 N/A SER 524.A N ARG 630.A O no hydrogen 3.104 N/A SER 524.A OG ARG 630.A O no hydrogen 2.586 N/A TYR 525.A N ILE 509.A O no hydrogen 2.956 N/A TYR 525.A OH GLY 401.A O no hydrogen 2.751 N/A LYS 526.A N ARG 628.A O no hydrogen 2.737 N/A LYS 526.A NZ SER 506.A OG no hydrogen 2.949 N/A LYS 526.A NZ ASP 508.A OD1 no hydrogen 2.626 N/A LEU 527.A N TRP 507.A O no hydrogen 2.758 N/A VAL 528.A N MET 626.A O no hydrogen 2.863 N/A SER 529.A OG HIS 602.A NE2 no hydrogen 2.772 N/A GLN 531.A NE2 PRO 622.A O no hydrogen 3.167 N/A CYS 532.A SG SER 529.A O no hydrogen 3.468 N/A CYS 532.A SG SER 529.A OG no hydrogen 3.339 N/A LEU 536.A N GLN 441.A OE1 no hydrogen 3.106 N/A SER 541.A N LYS 538.A O no hydrogen 2.801 N/A SER 541.A OG LYS 538.A O no hydrogen 2.535 N/A ALA 544.A N SER 541.A OG no hydrogen 3.055 N/A LYS 545.A N SER 541.A O no hydrogen 2.880 N/A LYS 545.A NZ ASP 577.A OD1 no hydrogen 2.774 N/A LYS 545.A NZ ASP 577.A OD2 no hydrogen 3.470 N/A ARG 546.A N LEU 542.A O no hydrogen 2.997 N/A ARG 546.A NE TRP 574.A O no hydrogen 2.745 N/A ARG 546.A NH1 HIS 301.A NE2 no hydrogen 3.045 N/A ARG 546.A NH2 GLU 307.A OE2 no hydrogen 2.795 N/A ARG 546.A NH2 VAL 571.A O no hydrogen 3.001 N/A ALA 547.A N VAL 543.A O no hydrogen 2.994 N/A TRP 549.A NE1 SER 567.A OG no hydrogen 2.870 N/A ALA 550.A N ALA 547.A O no hydrogen 2.975 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 2.923 N/A ASN 555.A N PHE 601.A O no hydrogen 2.911 N/A ASN 555.A ND2 TRP 549.A O no hydrogen 3.145 N/A ASN 555.A ND2 HIS 552.A O no hydrogen 3.597 N/A ASN 555.A ND2 PHE 601.A O no hydrogen 3.515 N/A VAL 556.A N SER 495.A OG no hydrogen 2.951 N/A VAL 557.A N LEU 599.A O no hydrogen 2.977 N/A TYR 559.A N ASP 597.A O no hydrogen 2.868 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 2.942 N/A TYR 565.A OH GLU 259.A OE2 no hydrogen 2.620 N/A SER 567.A OG ARG 546.A O no hydrogen 2.677 N/A GLY 568.A N TYR 565.A O no hydrogen 2.940 N/A HIS 570.A NE2 GLU 78.A OE1 no hydrogen 2.774 N/A GLN 573.A N GLY 144.A O no hydrogen 2.924 N/A GLN 573.A NE2 GLY 150.A O no hydrogen 2.781 N/A GLN 573.A NE2 LYS 153.A O no hydrogen 2.792 N/A TRP 574.A N VAL 571.A O no hydrogen 3.192 N/A TRP 574.A NE1 ASP 577.A O no hydrogen 2.841 N/A SER 575.A OG ASP 577.A OD2 no hydrogen 2.548 N/A ASP 577.A N SER 575.A OG no hydrogen 3.036 N/A MET 582.A N PRO 566.A O no hydrogen 2.909 N/A ARG 583.A NH1 GLY 576.A O no hydrogen 2.799 N/A ARG 583.A NH1 GLY 578.A O no hydrogen 3.083 N/A ARG 583.A NH2 LYS 545.A O no hydrogen 2.855 N/A GLU 584.A N ARG 580.A O no hydrogen 3.215 N/A TRP 585.A N GLY 581.A O no hydrogen 2.954 N/A ILE 586.A N MET 582.A O no hydrogen 2.772 N/A GLY 587.A N ARG 583.A O no hydrogen 3.083 N/A GLY 589.A N ILE 586.A O no hydrogen 2.913 N/A SER 590.A N ASP 588.A OD1 no hydrogen 2.920 N/A SER 590.A OG ASP 588.A OD1 no hydrogen 2.734 N/A SER 590.A OG ASP 588.A OD2 no hydrogen 3.245 N/A ASN 592.A ND2 ASP 594.A O no hydrogen 3.210 N/A ILE 593.A N LYS 490.A O no hydrogen 3.002 N/A ASP 594.A N ASN 592.A OD1 no hydrogen 2.967 N/A ASN 595.A N SER 458.A OG no hydrogen 2.737 N/A ASN 595.A ND2 ASN 513.A OD1 no hydrogen 2.951 N/A THR 596.A N ASN 457.A O no hydrogen 2.923 N/A ASP 597.A N THR 596.A OG1 no hydrogen 2.758 N/A LEU 599.A N VAL 557.A O no hydrogen 2.789 N/A PHE 600.A N ILE 448.A O no hydrogen 2.881 N/A PHE 601.A N ASN 555.A O no hydrogen 2.845 N/A HIS 602.A N LEU 446.A O no hydrogen 2.845 N/A HIS 602.A ND1 SER 553.A O no hydrogen 2.841 N/A HIS 602.A NE2 SER 529.A OG no hydrogen 2.772 N/A THR 603.A N SER 553.A O no hydrogen 2.732 N/A THR 603.A OG1 TRP 549.A O no hydrogen 2.845 N/A THR 603.A OG1 HIS 552.A O no hydrogen 2.941 N/A PHE 604.A N PHE 444.A O no hydrogen 3.007 N/A GLY 605.A N GLN 531.A O no hydrogen 2.800 N/A ILE 606.A N HIS 442.A O no hydrogen 2.943 N/A HIS 608.A N HIS 440.A O no hydrogen 2.668 N/A HIS 608.A NE2 ASP 614.A OD2 no hydrogen 2.973 N/A ALA 611.A N ASP 614.A OD2 no hydrogen 3.009 N/A GLU 613.A N GLU 613.A OE1 no hydrogen 2.736 N/A ASP 614.A N ALA 611.A O no hydrogen 2.880 N/A PHE 615.A N PRO 612.A O no hydrogen 3.054 N/A MET 618.A N GLY 411.A O no hydrogen 2.794 N/A GLU 621.A N LEU 409.A O no hydrogen 2.818 N/A ILE 623.A N ILE 407.A O no hydrogen 2.865 N/A THR 624.A N GLN 531.A OE1 no hydrogen 2.930 N/A THR 624.A OG1 LEU 405.A O no hydrogen 3.345 N/A THR 624.A OG1 ASP 406.A OD1 no hydrogen 2.610 N/A LEU 625.A N LEU 405.A O no hydrogen 3.051 N/A MET 626.A N VAL 528.A O no hydrogen 3.178 N/A LEU 627.A N ILE 403.A O no hydrogen 2.725 N/A ARG 628.A N LYS 526.A O no hydrogen 2.864 N/A ARG 630.A N SER 524.A O no hydrogen 3.001 N/A HIS 631.A ND1 SER 519.A OG no hydrogen 2.782 N/A GLY 638.A N ASN 636.A OD1 no hydrogen 2.838 N/A ILE 641.A N GLY 638.A O no hydrogen 3.047 N/A SER 644.A N VAL 373.A O no hydrogen 2.799 N/A TYR 645.A N VAL 373.A O no hydrogen 3.212 N/A MET 647.A N SER 371.A O no hydrogen 2.803 N/A THR 648.A N GLU 651.A OE1 no hydrogen 2.871 N/A THR 648.A OG1 SER 650.A OG no hydrogen 3.241 N/A THR 649.A OG1 THR 370.A OG1 no hydrogen 2.716 N/A SER 650.A OG THR 648.A OG1 no hydrogen 3.241 N/A GLU 651.A N THR 648.A OG1 no hydrogen 3.015 N/A ALA 652.A N THR 648.A O no hydrogen 2.857 N/A LYS 653.A N THR 649.A O no hydrogen 3.066 N/A ARG 654.A N SER 650.A O no hydrogen 3.124 N/A ALA 655.A N GLU 651.A O no hydrogen 3.067 N/A VAL 656.A N ALA 652.A O no hydrogen 3.352 N/A