Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n9h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 6.A N ASP 9.A OD2 no hydrogen 2.895 N/A ASP 9.A N HIS 6.A O no hydrogen 3.062 N/A SER 12.A N GLU 15.A OE1 no hydrogen 2.796 N/A SER 12.A OG GLU 15.A OE1 no hydrogen 3.361 N/A GLU 15.A N SER 12.A OG no hydrogen 3.049 N/A ILE 16.A N SER 12.A O no hydrogen 2.970 N/A LYS 17.A N THR 13.A O no hydrogen 3.059 N/A LYS 17.A NZ ASP 338.A OD1 no hydrogen 2.501 N/A ALA 18.A N ALA 14.A O no hydrogen 2.866 N/A ALA 19.A N GLU 15.A O no hydrogen 2.737 N/A THR 20.A N ILE 16.A O no hydrogen 2.891 N/A THR 20.A OG1 ILE 16.A O no hydrogen 3.388 N/A THR 20.A OG1 LYS 17.A O no hydrogen 3.081 N/A THR 20.A OG1 GLY 337.A O no hydrogen 2.731 N/A ASN 21.A N LYS 17.A O no hydrogen 2.852 N/A THR 22.A N ALA 18.A O no hydrogen 3.004 N/A THR 22.A OG1 ALA 18.A O no hydrogen 2.765 N/A VAL 23.A N ALA 19.A O no hydrogen 2.906 N/A LYS 24.A N THR 20.A O no hydrogen 2.779 N/A LYS 24.A NZ ALA 336.A O no hydrogen 2.953 N/A SER 25.A N ASN 21.A O no hydrogen 3.008 N/A SER 25.A OG ASN 21.A O no hydrogen 3.383 N/A TYR 26.A N THR 22.A O no hydrogen 3.075 N/A PHE 27.A N VAL 23.A O no hydrogen 3.018 N/A ALA 28.A N SER 25.A O no hydrogen 2.888 N/A LYS 30.A N PHE 27.A O no hydrogen 3.029 N/A SER 33.A N LEU 67.A O no hydrogen 2.835 N/A PHE 34.A N ARG 335.A O no hydrogen 2.719 N/A ASN 35.A N VAL 65.A O no hydrogen 2.817 N/A ASN 35.A ND2 ILE 98.A O no hydrogen 2.718 N/A THR 36.A N VAL 65.A O no hydrogen 3.044 N/A THR 36.A OG1 ASN 35.A OD1 no hydrogen 2.673 N/A THR 38.A N TYR 63.A O no hydrogen 2.875 N/A ARG 40.A N LEU 61.A O no hydrogen 2.992 N/A ARG 44.A N ASP 559.A OD1 no hydrogen 2.931 N/A ARG 44.A NE ASP 447.A OD1 no hydrogen 3.147 N/A ARG 44.A NE ASP 447.A OD2 no hydrogen 2.832 N/A ARG 44.A NH2 ASP 447.A OD1 no hydrogen 2.993 N/A TYR 47.A N ALA 43.A O no hydrogen 2.838 N/A TYR 47.A OH HIS 6.A NE2 no hydrogen 2.955 N/A TYR 47.A OH ASP 263.A OD2 no hydrogen 2.608 N/A ILE 48.A N ARG 44.A O no hydrogen 2.962 N/A GLN 49.A N.A LYS 45.A O no hydrogen 2.950 N/A GLN 49.A N.B LYS 45.A O no hydrogen 2.955 N/A GLN 49.A NE2.B GLN 53.A O no hydrogen 3.436 N/A TRP 50.A N ALA 46.A O no hydrogen 2.881 N/A LYS 51.A N TYR 47.A O no hydrogen 2.776 N/A GLU 52.A N ILE 48.A O no hydrogen 2.769 N/A GLN 53.A N GLN 49.A O.A no hydrogen 2.771 N/A GLN 53.A N GLN 49.A O.B no hydrogen 2.761 N/A GLY 55.A N GLN 49.A O.A no hydrogen 2.918 N/A GLY 55.A N GLN 49.A O.B no hydrogen 2.924 N/A ARG 60.A NE GLU 15.A OE2 no hydrogen 2.733 N/A ARG 60.A NH1 ASP 9.A O no hydrogen 3.053 N/A ARG 60.A NH2 ASP 9.A O no hydrogen 2.795 N/A ARG 60.A NH2 PRO 10.A O no hydrogen 3.046 N/A ARG 60.A NH2 GLU 15.A OE1 no hydrogen 3.099 N/A ALA 62.A N VAL 79.A O no hydrogen 2.943 N/A TYR 63.A N THR 38.A O no hydrogen 2.648 N/A TYR 63.A OH GLU 76.A OE1 no hydrogen 2.478 N/A TYR 64.A N GLY 77.A O no hydrogen 2.802 N/A TYR 64.A OH THR 89.A OG1 no hydrogen 2.951 N/A VAL 65.A N THR 36.A O no hydrogen 2.764 N/A ILE 66.A N LYS 75.A O no hydrogen 2.777 N/A LEU 67.A N SER 33.A O no hydrogen 2.968 N/A ALA 69.A N LYS 31.A O no hydrogen 2.999 N/A LYS 71.A N GLU 68.A O no hydrogen 2.879 N/A VAL 74.A N LEU 92.A O no hydrogen 2.912 N/A LYS 75.A N ILE 66.A O no hydrogen 2.925 N/A LYS 75.A NZ GLU 68.A OE1 no hydrogen 2.712 N/A GLU 76.A N ARG 90.A O no hydrogen 2.900 N/A GLY 77.A N TYR 64.A O no hydrogen 3.028 N/A LEU 78.A N GLU 88.A O no hydrogen 2.806 N/A VAL 79.A N ALA 62.A O no hydrogen 2.758 N/A ASP 80.A N SER 85.A O no hydrogen 2.791 N/A LEU 81.A N ARG 60.A O no hydrogen 3.164 N/A SER 83.A N ASP 80.A OD2 no hydrogen 2.789 N/A SER 83.A OG ASP 80.A OD2 no hydrogen 2.781 N/A SER 83.A OG SER 85.A OG no hydrogen 2.629 N/A LEU 84.A N LEU 81.A O no hydrogen 3.217 N/A SER 85.A N ASP 80.A O no hydrogen 3.215 N/A SER 85.A OG SER 83.A O no hydrogen 3.279 N/A SER 85.A OG SER 83.A OG no hydrogen 2.629 N/A ILE 87.A N LEU 78.A O no hydrogen 2.893 N/A THR 89.A OG1 TYR 64.A OH no hydrogen 2.951 N/A THR 89.A OG1 GLU 76.A O no hydrogen 3.453 N/A ARG 90.A N GLU 76.A O no hydrogen 2.900 N/A ARG 90.A NE GLU 76.A OE2 no hydrogen 2.920 N/A ARG 90.A NH2 GLU 76.A OE2 no hydrogen 2.955 N/A LEU 92.A N VAL 74.A O no hydrogen 2.870 N/A GLN 96.A NE2 THR 149.A O no hydrogen 3.145 N/A LEU 99.A N GLU 305.A O no hydrogen 2.887 N/A THR 100.A N ASP 103.A OD1 no hydrogen 2.891 N/A ASP 103.A N THR 100.A OG1 no hydrogen 3.016 N/A LEU 104.A N THR 100.A O no hydrogen 2.888 N/A CYS 105.A N VAL 101.A O no hydrogen 2.777 N/A SER 106.A OG ASP 103.A O no hydrogen 3.460 N/A THR 107.A N LEU 104.A O no hydrogen 3.144 N/A THR 107.A OG1 GLN 154.A OE1 no hydrogen 2.946 N/A ILE 111.A N THR 107.A O no hydrogen 3.113 N/A ARG 112.A N GLU 108.A O no hydrogen 3.078 N/A ARG 112.A NE MET 131.A O no hydrogen 3.356 N/A ARG 112.A NE VAL 134.A O no hydrogen 2.762 N/A ARG 112.A NH1 GLU 109.A OE1 no hydrogen 3.154 N/A ARG 112.A NH2 VAL 134.A O no hydrogen 2.954 N/A ASN 113.A N GLU 109.A O no hydrogen 3.224 N/A ASP 114.A N ILE 111.A O no hydrogen 3.104 N/A VAL 117.A N ASP 114.A OD2 no hydrogen 2.959 N/A ILE 118.A N ASP 114.A O no hydrogen 2.841 N/A GLU 119.A N PRO 115.A O no hydrogen 2.866 N/A GLN 120.A N ALA 116.A O no hydrogen 3.020 N/A CYS 121.A N VAL 117.A O no hydrogen 2.844 N/A CYS 121.A SG VAL 117.A O no hydrogen 3.423 N/A VAL 122.A N ILE 118.A O no hydrogen 2.871 N/A LEU 123.A N GLU 119.A O no hydrogen 2.879 N/A SER 124.A N GLN 120.A O no hydrogen 2.945 N/A SER 124.A OG GLN 120.A O no hydrogen 2.887 N/A GLY 125.A N VAL 122.A O no hydrogen 3.004 N/A ILE 126.A N CYS 121.A O no hydrogen 2.862 N/A GLU 130.A N PRO 127.A O no hydrogen 2.816 N/A LYS 133.A N GLU 130.A O no hydrogen 2.834 N/A LYS 133.A NZ GLU 130.A OE1 no hydrogen 3.335 N/A VAL 134.A N MET 131.A O no hydrogen 2.945 N/A TYR 135.A N TYR 159.A O no hydrogen 2.912 N/A CYS 136.A N GLU 108.A OE2 no hydrogen 2.865 N/A ASP 137.A N LEU 157.A O no hydrogen 2.924 N/A TRP 139.A N GLN 155.A O no hydrogen 2.791 N/A THR 140.A N TYR 306.A OH no hydrogen 2.942 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.613 N/A ARG 146.A N ASP 144.A OD1 no hydrogen 2.824 N/A ARG 146.A NE ASP 144.A OD1 no hydrogen 2.982 N/A ARG 146.A NE ASP 144.A OD2 no hydrogen 3.408 N/A ARG 146.A NH1 ASP 190.A OD1 no hydrogen 2.986 N/A ARG 146.A NH2 ASP 144.A OD2 no hydrogen 2.809 N/A ARG 146.A NH2 ASP 190.A OD1 no hydrogen 2.928 N/A ARG 146.A NH2 ASP 190.A OD2 no hydrogen 3.182 N/A TRP 147.A N ASP 144.A O no hydrogen 3.024 N/A GLY 148.A N ASP 144.A O no hydrogen 3.137 N/A GLY 150.A N TRP 147.A O no hydrogen 3.050 N/A LYS 151.A NZ ASP 180.A OD2 no hydrogen 3.089 N/A ARG 152.A NH1 ASP 103.A OD1 no hydrogen 3.445 N/A ARG 152.A NH1 GLU 182.A OE2 no hydrogen 2.754 N/A ARG 152.A NH2 PRO 97.A O no hydrogen 3.433 N/A ARG 152.A NH2 ASP 103.A OD1 no hydrogen 3.055 N/A LEU 153.A N GLN 571.A OE1 no hydrogen 2.896 N/A GLN 154.A N VAL 179.A O no hydrogen 2.865 N/A GLN 154.A NE2 ASP 103.A O no hydrogen 3.251 N/A GLN 154.A NE2 THR 181.A OG1 no hydrogen 2.834 N/A GLN 155.A N TRP 139.A O no hydrogen 2.927 N/A GLN 155.A NE2 THR 140.A O no hydrogen 2.884 N/A GLN 155.A NE2 ARG 297.A O no hydrogen 2.969 N/A ALA 156.A N PRO 177.A O no hydrogen 2.935 N/A LEU 157.A N ASP 137.A O no hydrogen 2.970 N/A TYR 159.A N TYR 135.A O no hydrogen 2.781 N/A TYR 159.A OH THR 413.A O no hydrogen 2.748 N/A TYR 160.A N HIS 171.A O no hydrogen 2.970 N/A ARG 161.A N LYS 133.A O no hydrogen 2.926 N/A ARG 161.A NE GLN 168.A OE1 no hydrogen 2.962 N/A ARG 161.A NH1 GLU 164.A O no hydrogen 2.930 N/A ARG 161.A NH2 GLN 168.A OE1 no hydrogen 2.974 N/A SER 162.A N ASP 166.A OD2 no hydrogen 2.947 N/A SER 162.A OG ASP 166.A OD2 no hydrogen 2.941 N/A ASP 163.A N ASP 166.A OD2 no hydrogen 2.827 N/A ASP 165.A N ASP 163.A OD2 no hydrogen 2.962 N/A ASP 166.A N ASP 163.A O no hydrogen 2.948 N/A SER 167.A N ASN 205.A OD1 no hydrogen 2.838 N/A GLN 168.A NE2 ASP 137.A OD1 no hydrogen 3.232 N/A TYR 169.A OH ASP 137.A OD2 no hydrogen 2.450 N/A SER 170.A OG HIS 171.A ND1 no hydrogen 2.794 N/A HIS 171.A N GLN 168.A O no hydrogen 2.745 N/A HIS 171.A ND1 SER 170.A OG no hydrogen 2.794 N/A HIS 171.A NE2 HIS 201.A O no hydrogen 2.802 N/A LEU 173.A N VAL 158.A O no hydrogen 2.922 N/A CYS 176.A N ASP 190.A O no hydrogen 2.939 N/A CYS 176.A SG GLN 155.A OE1 no hydrogen 3.918 N/A CYS 176.A SG ALA 156.A O no hydrogen 3.728 N/A ILE 178.A N PHE 188.A O no hydrogen 2.695 N/A VAL 179.A N GLN 154.A O no hydrogen 2.774 N/A ASP 180.A N LYS 185.A O no hydrogen 2.892 N/A THR 181.A N ARG 152.A O no hydrogen 2.890 N/A ILE 187.A N ILE 178.A O no hydrogen 2.903 N/A ASP 190.A N CYS 176.A O no hydrogen 2.803 N/A ARG 195.A NH1 ASP 174.A OD2 no hydrogen 2.626 N/A ARG 195.A NH2 GLN 120.A OE1 no hydrogen 2.131 N/A ARG 196.A N ASP 174.A OD2 no hydrogen 2.853 N/A ARG 196.A NE GLU 420.A OE1 no hydrogen 3.118 N/A ARG 196.A NH1 ARG 194.A O no hydrogen 2.933 N/A ARG 196.A NH2 GLU 420.A OE1 no hydrogen 3.380 N/A ARG 196.A NH2 GLU 420.A OE2 no hydrogen 3.013 N/A VAL 198.A N SER 124.A O no hydrogen 2.903 N/A SER 199.A OG HIS 201.A ND1 no hydrogen 3.224 N/A HIS 201.A N SER 199.A OG no hydrogen 3.094 N/A HIS 201.A ND1 SER 199.A OG no hydrogen 3.224 N/A HIS 203.A NE2 TYR 160.A O no hydrogen 2.618 N/A ALA 204.A N SER 170.A OG no hydrogen 3.212 N/A ASN 205.A ND2 ASP 166.A OD1 no hydrogen 3.019 N/A TYR 207.A N HIS 210.A ND1 no hydrogen 3.202 N/A LYS 209.A NZ ASP 165.A OD2 no hydrogen 2.929 N/A MET 211.A N TYR 207.A O no hydrogen 2.848 N/A ILE 212.A N PRO 208.A O no hydrogen 2.856 N/A LYS 214.A N HIS 210.A O no hydrogen 2.923 N/A LYS 214.A NZ ASN 205.A O no hydrogen 2.813 N/A VAL 215.A N MET 211.A O no hydrogen 2.724 N/A GLN 229.A NE2 GLU 350.A OE2 no hydrogen 3.008 N/A GLY 232.A N GLN 229.A O no hydrogen 2.949 N/A SER 234.A N GLU 350.A OE2 no hydrogen 2.627 N/A SER 234.A OG GLU 350.A OE1 no hydrogen 2.583 N/A SER 234.A OG GLU 350.A OE2 no hydrogen 3.479 N/A LYS 236.A N GLU 243.A O no hydrogen 2.880 N/A THR 238.A N VAL 241.A O no hydrogen 2.803 N/A ASN 240.A ND2 ASP 9.A OD1 no hydrogen 2.786 N/A VAL 241.A N THR 238.A O no hydrogen 3.209 N/A MET 242.A N PHE 249.A O no hydrogen 2.717 N/A GLU 243.A N LYS 236.A O no hydrogen 2.925 N/A TRP 244.A N PHE 247.A O no hydrogen 2.961 N/A TRP 244.A NE1 GLU 350.A OE1 no hydrogen 2.990 N/A ASN 246.A ND2 TYR 266.A OH no hydrogen 3.077 N/A PHE 247.A N TRP 244.A O no hydrogen 2.672 N/A LYS 248.A N SER 265.A O no hydrogen 3.014 N/A PHE 249.A N MET 242.A O no hydrogen 3.016 N/A HIS 250.A N SER 262.A O no hydrogen 2.935 N/A HIS 250.A NE2 ASP 9.A OD1 no hydrogen 2.914 N/A ILE 251.A N ASN 240.A O no hydrogen 2.842 N/A GLY 252.A N VAL 260.A O no hydrogen 2.749 N/A ASN 254.A N GLY 258.A O no hydrogen 2.948 N/A ASN 254.A ND2 GLU 257.A OE2 no hydrogen 2.984 N/A ARG 256.A N ASN 254.A OD1 no hydrogen 2.851 N/A ARG 256.A NH1 ASP 567.A O no hydrogen 2.711 N/A ARG 256.A NH2 GLY 566.A O no hydrogen 2.900 N/A ARG 256.A NH2 ASP 567.A O no hydrogen 3.236 N/A GLU 257.A N ASN 254.A OD1 no hydrogen 2.740 N/A GLY 258.A N ASN 254.A O no hydrogen 2.947 N/A ILE 259.A N GLN 381.A OE1 no hydrogen 3.083 N/A VAL 260.A N GLY 252.A O no hydrogen 2.909 N/A LEU 261.A N ILE 279.A O no hydrogen 3.076 N/A SER 262.A N HIS 250.A O no hydrogen 2.955 N/A ASP 263.A N HIS 277.A O no hydrogen 2.784 N/A VAL 264.A N PHE 276.A O no hydrogen 2.791 N/A SER 265.A N LYS 248.A O no hydrogen 2.903 N/A TYR 266.A N ARG 273.A O no hydrogen 2.834 N/A ASN 267.A N ASN 246.A O no hydrogen 2.797 N/A ASP 268.A N ASN 271.A O no hydrogen 2.743 N/A HIS 269.A NE2 ASP 638.A OD2 no hydrogen 3.098 N/A GLY 270.A N ASN 267.A OD1 no hydrogen 2.747 N/A ASN 271.A N ASP 268.A O no hydrogen 2.891 N/A ARG 273.A N TYR 266.A O no hydrogen 2.879 N/A ARG 273.A NE ASP 451.A OD1 no hydrogen 2.871 N/A ARG 273.A NH1 ASP 268.A OD2 no hydrogen 2.868 N/A ARG 273.A NH1 PHE 630.A O no hydrogen 2.802 N/A ARG 273.A NH2 ASP 451.A OD2 no hydrogen 2.981 N/A ARG 273.A NH2 PHE 630.A O no hydrogen 2.827 N/A ILE 275.A N VAL 264.A O no hydrogen 2.750 N/A PHE 276.A N VAL 264.A O no hydrogen 3.280 N/A HIS 277.A N ASP 447.A O no hydrogen 2.789 N/A HIS 277.A ND1 ASP 447.A OD2 no hydrogen 3.210 N/A ARG 278.A N ASP 447.A O no hydrogen 3.348 N/A ARG 278.A NE GLU 41.A OE1 no hydrogen 2.820 N/A ARG 278.A NE GLU 41.A OE2 no hydrogen 3.391 N/A ARG 278.A NH1 GLU 257.A OE1 no hydrogen 3.011 N/A ARG 278.A NH2 GLU 41.A OE2 no hydrogen 3.040 N/A ARG 278.A NH2 GLU 257.A OE1 no hydrogen 3.449 N/A ARG 278.A NH2 GLU 257.A OE2 no hydrogen 2.890 N/A ILE 279.A N LEU 261.A O no hydrogen 2.797 N/A SER 280.A N ARG 445.A O no hydrogen 3.114 N/A SER 280.A OG GLU 257.A OE1 no hydrogen 2.699 N/A SER 282.A N SER 443.A O no hydrogen 2.849 N/A SER 282.A OG SER 443.A O no hydrogen 2.917 N/A MET 284.A N GLU 283.A OE1 no hydrogen 2.895 N/A ILE 285.A N LEU 441.A O no hydrogen 2.934 N/A VAL 286.A N ALA 300.A O no hydrogen 2.865 N/A ALA 288.A N LYS 298.A O no hydrogen 3.065 N/A GLY 289.A N ASN 437.A O no hydrogen 2.647 N/A GLU 292.A N SER 290.A OG no hydrogen 3.266 N/A HIS 295.A N GLU 292.A O no hydrogen 2.791 N/A ARG 297.A N PRO 294.A O no hydrogen 3.005 N/A ARG 297.A NE GLN 155.A OE1 no hydrogen 2.873 N/A ARG 297.A NH1 ASP 144.A OD2 no hydrogen 2.920 N/A ARG 297.A NH1 ASP 190.A OD2 no hydrogen 2.692 N/A ARG 297.A NH2 GLN 155.A OE1 no hydrogen 3.020 N/A ARG 297.A NH2 ASP 190.A OD2 no hydrogen 2.963 N/A LYS 298.A N HIS 295.A O no hydrogen 3.036 N/A LYS 298.A NZ ASN 412.A OD1 no hydrogen 2.699 N/A LYS 298.A NZ HIS 436.A ND1 no hydrogen 2.915 N/A HIS 299.A ND1 GLN 296.A O no hydrogen 2.716 N/A LEU 301.A N GLU 305.A OE1 no hydrogen 2.787 N/A GLY 304.A N GLU 283.A OE1 no hydrogen 2.797 N/A GLU 305.A N LEU 301.A O no hydrogen 2.725 N/A TYR 306.A N ASP 302.A O no hydrogen 2.876 N/A GLY 307.A N ASP 302.A O no hydrogen 2.909 N/A ALA 308.A N ARG 256.A O no hydrogen 2.690 N/A GLY 309.A N TYR 255.A O no hydrogen 2.718 N/A TYR 310.A N TYR 255.A O no hydrogen 2.960 N/A TYR 310.A OH ASN 35.A O no hydrogen 2.669 N/A MET 311.A N.A GLY 307.A O no hydrogen 2.958 N/A MET 311.A N.B GLY 307.A O no hydrogen 2.966 N/A THR 312.A N GLY 309.A O no hydrogen 2.979 N/A THR 312.A OG1 ILE 382.A O no hydrogen 3.446 N/A ASN 313.A N ILE 382.A O no hydrogen 2.664 N/A LEU 315.A N ASN 344.A O no hydrogen 2.773 N/A CYS 319.A N SER 316.A O no hydrogen 3.347 N/A CYS 319.A SG LEU 317.A O no hydrogen 3.487 N/A LYS 322.A NZ ILE 225.A O no hydrogen 2.897 N/A HIS 326.A N ILE 348.A O no hydrogen 2.922 N/A LEU 328.A N VAL 346.A O no hydrogen 3.032 N/A ALA 330.A N VAL 342.A O no hydrogen 3.046 N/A HIS 331.A ND1 THR 341.A OG1 no hydrogen 2.907 N/A PHE 332.A N ILE 340.A O no hydrogen 2.928 N/A SER 333.A OG ASP 334.A O no hydrogen 2.959 N/A ASP 334.A N ASP 338.A O no hydrogen 2.881 N/A ARG 335.A N GLU 102.A OE1 no hydrogen 2.685 N/A ARG 335.A NH2 ASP 103.A OD2 no hydrogen 2.431 N/A GLY 337.A N ASP 334.A O no hydrogen 2.790 N/A ASP 338.A N ASP 334.A OD1 no hydrogen 2.783 N/A ILE 340.A N PHE 332.A O no hydrogen 2.772 N/A THR 341.A OG1 HIS 331.A ND1 no hydrogen 2.907 N/A VAL 342.A N ALA 330.A O no hydrogen 2.972 N/A ASN 344.A N ASP 329.A OD1 no hydrogen 2.730 N/A ALA 345.A N LEU 328.A O no hydrogen 2.842 N/A VAL 346.A N LEU 328.A O no hydrogen 3.335 N/A CYS 347.A N SER 380.A O no hydrogen 2.866 N/A ILE 348.A N HIS 326.A O no hydrogen 2.748 N/A HIS 349.A N VAL 378.A O no hydrogen 3.175 N/A HIS 349.A NE2 GLU 351.A OE2 no hydrogen 2.657 N/A GLU 351.A N LYS 376.A O no hydrogen 2.919 N/A ASP 353.A N ALA 374.A O no hydrogen 2.811 N/A GLY 354.A N ASP 352.A OD1 no hydrogen 3.018 N/A LEU 356.A N THR 372.A O no hydrogen 2.802 N/A PHE 357.A N THR 372.A O no hydrogen 3.396 N/A HIS 359.A N LEU 370.A O no hydrogen 3.115 N/A SER 360.A OG SER 369.A OG no hydrogen 2.805 N/A ASP 361.A N THR 368.A O no hydrogen 2.949 N/A ARG 363.A N ASP 361.A OD1 no hydrogen 2.728 N/A ARG 363.A NH1 ASP 361.A OD1 no hydrogen 2.910 N/A ARG 363.A NH1 ASP 361.A OD2 no hydrogen 3.552 N/A ASN 365.A N PHE 362.A O no hydrogen 2.964 N/A PHE 366.A N ASP 361.A O no hydrogen 2.894 N/A ALA 367.A N ASP 364.A O no hydrogen 3.072 N/A THR 368.A N ASP 364.A OD1 no hydrogen 2.830 N/A THR 368.A OG1 ASP 364.A OD2 no hydrogen 2.484 N/A THR 368.A OG1 THR 647.A OG1 no hydrogen 2.598 N/A SER 369.A N MET 645.A O no hydrogen 2.872 N/A SER 369.A OG SER 360.A OG no hydrogen 2.805 N/A LEU 370.A N HIS 359.A O no hydrogen 3.102 N/A VAL 371.A N TYR 643.A O no hydrogen 2.913 N/A THR 372.A N PHE 357.A O no hydrogen 3.125 N/A ARG 373.A N SER 642.A OG no hydrogen 3.312 N/A ALA 374.A N GLY 354.A O no hydrogen 2.585 N/A THR 375.A N GLN 397.A OE1 no hydrogen 2.969 N/A LYS 376.A N GLU 351.A O no hydrogen 2.831 N/A LEU 377.A N PHE 395.A O no hydrogen 3.047 N/A VAL 378.A N HIS 349.A O no hydrogen 2.820 N/A VAL 379.A N TRP 393.A O no hydrogen 2.870 N/A SER 380.A N CYS 347.A O no hydrogen 2.840 N/A SER 380.A OG LEU 391.A O no hydrogen 2.750 N/A GLN 381.A N LEU 391.A O no hydrogen 3.075 N/A GLN 381.A NE2 ALA 308.A O no hydrogen 2.943 N/A GLN 381.A NE2 THR 312.A OG1 no hydrogen 2.996 N/A PHE 383.A N TYR 389.A O no hydrogen 3.009 N/A THR 384.A N MET 311.A O.A no hydrogen 3.065 N/A THR 384.A N MET 311.A O.B no hydrogen 2.955 N/A THR 384.A OG1 ASN 313.A OD1 no hydrogen 3.030 N/A THR 384.A OG1 GLU 388.A OE1 no hydrogen 2.488 N/A ASN 387.A ND2 ILE 410.A O no hydrogen 2.709 N/A GLU 388.A N THR 408.A O no hydrogen 3.012 N/A TYR 389.A N PHE 383.A O no hydrogen 2.933 N/A TYR 389.A OH HIS 440.A ND1 no hydrogen 2.845 N/A CYS 390.A N ARG 406.A O no hydrogen 2.907 N/A CYS 390.A SG ARG 406.A O no hydrogen 3.615 N/A LEU 391.A N GLN 381.A O no hydrogen 2.880 N/A TYR 392.A N ASP 404.A O no hydrogen 2.826 N/A TRP 393.A N VAL 379.A O no hydrogen 2.878 N/A VAL 394.A N ARG 402.A O no hydrogen 2.766 N/A PHE 395.A N LEU 377.A O no hydrogen 2.857 N/A MET 396.A N ALA 400.A O no hydrogen 2.867 N/A GLY 399.A N MET 396.A O no hydrogen 3.012 N/A ALA 400.A N ASP 398.A OD1 no hydrogen 3.085 N/A ILE 401.A N LEU 625.A O no hydrogen 2.995 N/A ARG 402.A N VAL 394.A O no hydrogen 2.794 N/A ARG 402.A NE ASP 404.A OD1 no hydrogen 3.107 N/A ARG 402.A NE ASP 404.A OD2 no hydrogen 2.888 N/A ARG 402.A NH2 ASP 404.A OD2 no hydrogen 3.028 N/A LEU 403.A N LEU 623.A O no hydrogen 2.990 N/A ASP 404.A N TYR 392.A O no hydrogen 2.870 N/A ILE 405.A N ILE 621.A O no hydrogen 2.800 N/A ARG 406.A N CYS 390.A O no hydrogen 2.852 N/A LEU 407.A N GLU 619.A O no hydrogen 2.745 N/A THR 408.A N GLU 388.A O no hydrogen 3.042 N/A THR 408.A OG1 MET 616.A O no hydrogen 2.818 N/A ILE 410.A N ASN 387.A O no hydrogen 2.724 N/A THR 413.A OG1 TYR 169.A O no hydrogen 2.717 N/A TYR 414.A N ASN 434.A O no hydrogen 2.863 N/A TYR 414.A OH ASP 174.A O no hydrogen 2.706 N/A LEU 416.A N ASN 432.A O no hydrogen 2.900 N/A GLY 417.A N GLU 420.A OE1 no hydrogen 2.582 N/A GLU 420.A N GLY 417.A O no hydrogen 3.075 N/A GLY 426.A N ALA 422.A O no hydrogen 3.088 N/A THR 427.A N ALA 435.A O no hydrogen 2.909 N/A THR 427.A OG1 PRO 608.A O no hydrogen 2.637 N/A VAL 429.A N VAL 433.A O no hydrogen 3.352 N/A TYR 430.A OH LYS 202.A O no hydrogen 2.639 N/A ASN 432.A ND2 HIS 201.A ND1 no hydrogen 2.902 N/A VAL 433.A N TYR 430.A O no hydrogen 2.819 N/A ASN 434.A N TYR 414.A O no hydrogen 2.839 N/A ASN 434.A ND2 THR 427.A O no hydrogen 3.601 N/A ALA 435.A N THR 427.A O no hydrogen 2.928 N/A ASN 437.A N TRP 425.A O no hydrogen 2.746 N/A ASN 437.A ND2 PRO 424.A O no hydrogen 2.904 N/A HIS 438.A N HIS 606.A O no hydrogen 3.075 N/A HIS 438.A ND1 HIS 436.A O no hydrogen 2.936 N/A GLN 439.A N PRO 287.A O no hydrogen 2.955 N/A HIS 440.A N ILE 604.A O no hydrogen 2.818 N/A HIS 440.A ND1 TYR 389.A OH no hydrogen 2.845 N/A HIS 440.A NE2 HIS 438.A NE2 no hydrogen 3.015 N/A LEU 441.A N ILE 285.A O no hydrogen 2.925 N/A PHE 442.A N PHE 602.A O no hydrogen 2.690 N/A SER 443.A N GLU 283.A O no hydrogen 2.846 N/A SER 443.A OG SER 282.A OG no hydrogen 3.411 N/A LEU 444.A N HIS 600.A O no hydrogen 2.846 N/A ARG 445.A N SER 280.A O no hydrogen 2.787 N/A ARG 445.A NE ARG 561.A O no hydrogen 2.716 N/A ARG 445.A NH2 ARG 561.A O no hydrogen 3.054 N/A ILE 446.A N PHE 598.A O no hydrogen 2.874 N/A ASP 447.A N ARG 278.A O no hydrogen 2.853 N/A ARG 449.A N ILE 275.A O no hydrogen 2.853 N/A ARG 449.A NH1 GLU 52.A OE1 no hydrogen 3.481 N/A ARG 449.A NH1 ASP 453.A OD1 no hydrogen 3.054 N/A ARG 449.A NH1 ASP 453.A OD2 no hydrogen 3.204 N/A ARG 449.A NH2 GLU 52.A OE1 no hydrogen 2.989 N/A ARG 449.A NH2 GLU 52.A OE2 no hydrogen 2.611 N/A ASP 451.A N PRO 274.A O no hydrogen 2.754 N/A GLY 452.A N ARG 449.A O no hydrogen 3.088 N/A ASN 455.A N THR 594.A O no hydrogen 2.956 N/A SER 456.A N PHE 508.A O no hydrogen 2.866 N/A SER 456.A OG ASP 592.A OD1 no hydrogen 2.647 N/A ALA 458.A N ASP 506.A O no hydrogen 2.903 N/A ALA 459.A N THR 485.A O no hydrogen 2.973 N/A CYS 460.A N SER 504.A O no hydrogen 2.733 N/A ASP 461.A N GLU 483.A O no hydrogen 2.948 N/A ALA 462.A N THR 501.A O no hydrogen 2.886 N/A LYS 463.A N TYR 481.A O no hydrogen 2.863 N/A LYS 463.A NZ GLU 483.A OE1 no hydrogen 2.990 N/A SER 465.A N ALA 479.A O no hydrogen 2.847 N/A TYR 467.A N SER 465.A OG no hydrogen 2.931 N/A GLY 470.A N MET 475.A O no hydrogen 2.975 N/A SER 471.A N PRO 468.A O no hydrogen 3.091 N/A SER 471.A OG PRO 468.A O no hydrogen 2.655 N/A GLU 473.A N GLU 473.A OE1 no hydrogen 2.560 N/A ASN 474.A N SER 471.A O no hydrogen 3.125 N/A ASN 474.A N SER 471.A OG no hydrogen 3.116 N/A ASN 474.A ND2 TYR 467.A O no hydrogen 2.927 N/A GLY 477.A N ASN 474.A O no hydrogen 2.838 N/A ALA 479.A N ASN 474.A OD1 no hydrogen 3.063 N/A TYR 481.A N LYS 463.A O no hydrogen 2.811 N/A TYR 481.A OH GLU 483.A OE2 no hydrogen 3.203 N/A GLU 483.A N ASP 461.A O no hydrogen 2.699 N/A THR 485.A N ALA 459.A O no hydrogen 2.942 N/A PHE 487.A N ALA 457.A O no hydrogen 2.918 N/A LYS 488.A N ASP 492.A OD2 no hydrogen 3.149 N/A THR 489.A N ASP 492.A OD2 no hydrogen 2.980 N/A THR 489.A OG1 SER 588.A O no hydrogen 2.912 N/A THR 489.A OG1 GLU 589.A O no hydrogen 3.532 N/A VAL 490.A N GLU 589.A O no hydrogen 3.015 N/A LYS 491.A N GLY 587.A O no hydrogen 2.891 N/A ASP 492.A N THR 489.A O no hydrogen 2.936 N/A SER 493.A N VAL 490.A O no hydrogen 2.920 N/A SER 493.A OG VAL 490.A O no hydrogen 2.762 N/A SER 493.A OG VAL 554.A O no hydrogen 3.374 N/A LEU 494.A N LYS 491.A O no hydrogen 3.422 N/A THR 495.A N VAL 552.A O no hydrogen 3.393 N/A THR 495.A OG1 SER 493.A O no hydrogen 2.866 N/A TYR 497.A N SER 551.A OG no hydrogen 2.931 N/A THR 501.A N GLU 498.A O no hydrogen 3.357 N/A THR 501.A OG1 ASP 461.A OD1 no hydrogen 2.629 N/A GLY 502.A N SER 499.A O no hydrogen 3.100 N/A ARG 503.A N GLU 498.A O no hydrogen 3.163 N/A ARG 503.A NE ASP 461.A OD1 no hydrogen 2.661 N/A ARG 503.A NH1 ASN 496.A O no hydrogen 2.887 N/A ARG 503.A NH2 ASP 461.A OD1 no hydrogen 3.231 N/A ARG 503.A NH2 ASP 461.A OD2 no hydrogen 2.996 N/A SER 504.A N CYS 460.A O no hydrogen 3.101 N/A TRP 505.A N LEU 525.A O no hydrogen 3.262 N/A TRP 505.A NE1 THR 495.A OG1 no hydrogen 2.986 N/A ASP 506.A N ALA 458.A O no hydrogen 2.844 N/A ILE 507.A N TYR 523.A O no hydrogen 2.992 N/A PHE 508.A N SER 456.A O no hydrogen 2.937 N/A ASN 509.A N PRO 521.A O no hydrogen 3.164 N/A ASN 511.A ND2 ASP 453.A O no hydrogen 3.561 N/A ASN 511.A ND2 ASN 593.A OD1 no hydrogen 2.904 N/A LYS 512.A N ASN 509.A O no hydrogen 3.242 N/A LYS 512.A NZ ASP 451.A O no hydrogen 2.735 N/A ASN 514.A N LYS 519.A O no hydrogen 2.644 N/A ASN 514.A ND2 HIS 629.A O no hydrogen 2.996 N/A ASN 514.A ND2 PHE 631.A O no hydrogen 2.889 N/A TYR 516.A N ASN 514.A OD1 no hydrogen 2.717 N/A SER 517.A N ASN 514.A OD1 no hydrogen 3.061 N/A SER 517.A OG HIS 629.A ND1 no hydrogen 2.705 N/A GLY 518.A N ASN 514.A O no hydrogen 2.856 N/A LYS 519.A N SER 517.A OG no hydrogen 3.227 N/A SER 522.A OG ARG 628.A O no hydrogen 2.735 N/A TYR 523.A N ILE 507.A O no hydrogen 2.972 N/A TYR 523.A OH GLY 399.A O no hydrogen 2.607 N/A LYS 524.A N ARG 626.A O no hydrogen 2.734 N/A LYS 524.A NZ SER 504.A OG no hydrogen 3.082 N/A LYS 524.A NZ ASP 506.A OD1 no hydrogen 2.595 N/A LEU 525.A N TRP 505.A O no hydrogen 2.733 N/A VAL 526.A N MET 624.A O no hydrogen 2.787 N/A SER 527.A OG HIS 600.A NE2 no hydrogen 2.736 N/A THR 528.A OG1 TYR 497.A OH no hydrogen 3.317 N/A GLN 529.A NE2 THR 622.A O no hydrogen 3.618 N/A CYS 530.A SG SER 527.A O no hydrogen 3.587 N/A CYS 530.A SG SER 527.A OG no hydrogen 3.601 N/A SER 539.A N LYS 536.A O no hydrogen 2.946 N/A SER 539.A OG LYS 536.A O no hydrogen 2.552 N/A ALA 542.A N SER 539.A OG no hydrogen 3.023 N/A LYS 543.A N SER 539.A O no hydrogen 2.852 N/A LYS 543.A NZ ASP 575.A OD1 no hydrogen 2.602 N/A LYS 543.A NZ ASP 575.A OD2 no hydrogen 3.068 N/A ARG 544.A N LEU 540.A O no hydrogen 2.905 N/A ARG 544.A NE TRP 572.A O no hydrogen 2.768 N/A ARG 544.A NH1 HIS 299.A NE2 no hydrogen 2.852 N/A ARG 544.A NH2 GLU 305.A OE2 no hydrogen 2.810 N/A ARG 544.A NH2 VAL 569.A O no hydrogen 2.905 N/A ALA 545.A N VAL 541.A O no hydrogen 3.033 N/A TRP 547.A NE1 SER 565.A OG no hydrogen 2.818 N/A ALA 548.A N ALA 545.A O no hydrogen 2.880 N/A SER 551.A N ASN 496.A OD1 no hydrogen 3.050 N/A VAL 552.A N THR 495.A O no hydrogen 2.940 N/A ASN 553.A N PHE 599.A O no hydrogen 3.025 N/A ASN 553.A ND2 TRP 547.A O no hydrogen 3.283 N/A ASN 553.A ND2 HIS 550.A O no hydrogen 3.647 N/A ASN 553.A ND2 PHE 599.A O no hydrogen 3.391 N/A VAL 554.A N SER 493.A OG no hydrogen 2.878 N/A VAL 555.A N LEU 597.A O no hydrogen 2.930 N/A TYR 557.A N ASP 595.A O no hydrogen 2.736 N/A TYR 557.A OH ASP 559.A OD1 no hydrogen 2.625 N/A ARG 561.A NH1 PRO 556.A O no hydrogen 2.862 N/A TYR 563.A OH GLU 257.A OE2 no hydrogen 2.766 N/A SER 565.A OG ARG 544.A O no hydrogen 2.782 N/A GLY 566.A N TYR 563.A O no hydrogen 2.957 N/A HIS 568.A NE2 GLU 76.A OE1 no hydrogen 2.816 N/A GLN 571.A N GLY 142.A O no hydrogen 2.919 N/A GLN 571.A NE2 GLY 148.A O no hydrogen 2.859 N/A GLN 571.A NE2 LYS 151.A O no hydrogen 2.689 N/A TRP 572.A N VAL 569.A O no hydrogen 3.150 N/A TRP 572.A NE1 ASP 575.A O no hydrogen 2.766 N/A SER 573.A OG ASP 575.A OD2 no hydrogen 2.736 N/A ASP 575.A N SER 573.A OG no hydrogen 2.989 N/A MET 580.A N PRO 564.A O no hydrogen 2.783 N/A ARG 581.A NH1 GLY 574.A O no hydrogen 2.819 N/A ARG 581.A NH1 GLY 576.A O no hydrogen 2.719 N/A ARG 581.A NH2 LYS 543.A O no hydrogen 2.850 N/A GLU 582.A N ARG 578.A O no hydrogen 3.130 N/A TRP 583.A N GLY 579.A O no hydrogen 2.986 N/A ILE 584.A N MET 580.A O no hydrogen 2.846 N/A GLY 585.A N ARG 581.A O no hydrogen 3.211 N/A GLY 587.A N ILE 584.A O no hydrogen 2.725 N/A SER 588.A N ASP 586.A OD1 no hydrogen 2.929 N/A SER 588.A OG ASP 586.A OD1 no hydrogen 2.724 N/A SER 588.A OG ASP 586.A OD2 no hydrogen 3.487 N/A ASN 590.A ND2 ASP 592.A O no hydrogen 3.171 N/A ILE 591.A N LYS 488.A O no hydrogen 3.131 N/A ASP 592.A N ASN 590.A OD1 no hydrogen 2.819 N/A ASN 593.A N SER 456.A OG no hydrogen 2.702 N/A ASN 593.A ND2 ASN 511.A OD1 no hydrogen 3.042 N/A THR 594.A N ASN 455.A O no hydrogen 2.970 N/A ASP 595.A N THR 594.A OG1 no hydrogen 2.708 N/A LEU 597.A N VAL 555.A O no hydrogen 2.736 N/A PHE 598.A N ILE 446.A O no hydrogen 2.840 N/A PHE 599.A N ASN 553.A O no hydrogen 2.812 N/A HIS 600.A N LEU 444.A O no hydrogen 2.793 N/A HIS 600.A ND1 SER 551.A O no hydrogen 2.806 N/A HIS 600.A NE2 SER 527.A OG no hydrogen 2.736 N/A THR 601.A N SER 551.A O no hydrogen 2.724 N/A THR 601.A OG1 TRP 547.A O no hydrogen 2.825 N/A THR 601.A OG1 HIS 550.A O no hydrogen 3.072 N/A PHE 602.A N PHE 442.A O no hydrogen 3.034 N/A GLY 603.A N GLN 529.A O no hydrogen 2.880 N/A ILE 604.A N HIS 440.A O no hydrogen 2.959 N/A THR 605.A OG1 GLN 439.A OE1 no hydrogen 3.096 N/A HIS 606.A N HIS 438.A O no hydrogen 2.703 N/A HIS 606.A NE2 ASP 612.A OD2 no hydrogen 2.880 N/A ALA 609.A N ASP 612.A OD2 no hydrogen 2.902 N/A GLU 611.A N GLU 611.A OE1 no hydrogen 2.771 N/A ASP 612.A N ALA 609.A O no hydrogen 2.758 N/A PHE 613.A N PRO 610.A O no hydrogen 2.787 N/A MET 616.A N GLY 409.A O no hydrogen 2.945 N/A GLU 619.A N LEU 407.A O no hydrogen 2.802 N/A ILE 621.A N ILE 405.A O no hydrogen 2.868 N/A THR 622.A OG1 LEU 403.A O no hydrogen 3.388 N/A THR 622.A OG1 ASP 404.A OD1 no hydrogen 2.665 N/A LEU 623.A N LEU 403.A O no hydrogen 3.110 N/A MET 624.A N VAL 526.A O no hydrogen 3.124 N/A LEU 625.A N ILE 401.A O no hydrogen 2.791 N/A ARG 626.A N LYS 524.A O no hydrogen 2.884 N/A ARG 628.A N SER 522.A O no hydrogen 2.905 N/A HIS 629.A ND1 SER 517.A OG no hydrogen 2.705 N/A GLY 636.A N ASN 634.A OD1 no hydrogen 2.747 N/A ILE 639.A N GLY 636.A O no hydrogen 3.224 N/A SER 642.A N VAL 371.A O no hydrogen 2.605 N/A TYR 643.A N VAL 371.A O no hydrogen 3.245 N/A MET 645.A N SER 369.A O no hydrogen 2.685 N/A THR 646.A N GLU 649.A OE1 no hydrogen 3.119 N/A THR 647.A OG1 THR 368.A OG1 no hydrogen 2.598 N/A ALA 650.A N THR 646.A O no hydrogen 2.919 N/A LYS 651.A N THR 647.A O no hydrogen 3.040 N/A ARG 652.A N SER 648.A O no hydrogen 2.910 N/A ALA 653.A N GLU 649.A O no hydrogen 2.935 N/A ALA 653.A N ALA 650.A O no hydrogen 3.254 N/A