Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2oqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 9.A N HIS 7.A ND1 no hydrogen 2.973 N/A ASP 10.A N HIS 7.A O no hydrogen 3.002 N/A SER 13.A N GLU 16.A OE1 no hydrogen 2.878 N/A SER 13.A OG GLU 16.A OE1 no hydrogen 3.454 N/A GLU 16.A N SER 13.A OG no hydrogen 3.047 N/A ILE 17.A N SER 13.A O no hydrogen 2.903 N/A LYS 18.A N THR 14.A O no hydrogen 3.031 N/A LYS 18.A NZ ASP 339.A OD1 no hydrogen 2.684 N/A ALA 19.A N ALA 15.A O no hydrogen 2.894 N/A ALA 20.A N GLU 16.A O no hydrogen 2.845 N/A THR 21.A N ILE 17.A O no hydrogen 2.884 N/A THR 21.A OG1 ILE 17.A O no hydrogen 3.500 N/A THR 21.A OG1 LYS 18.A O no hydrogen 3.309 N/A THR 21.A OG1 GLY 338.A O no hydrogen 2.646 N/A ASN 22.A N LYS 18.A O no hydrogen 2.912 N/A THR 23.A N ALA 19.A O no hydrogen 3.058 N/A THR 23.A OG1 ALA 19.A O no hydrogen 2.802 N/A VAL 24.A N ALA 20.A O no hydrogen 2.918 N/A LYS 25.A N THR 21.A O no hydrogen 2.781 N/A LYS 25.A NZ ALA 337.A O no hydrogen 2.723 N/A SER 26.A N ASN 22.A O no hydrogen 2.969 N/A SER 26.A OG.B ASN 22.A O no hydrogen 2.841 N/A TYR 27.A N THR 23.A O no hydrogen 3.019 N/A PHE 28.A N VAL 24.A O no hydrogen 2.991 N/A ALA 29.A N SER 26.A O no hydrogen 3.157 N/A LYS 31.A N PHE 28.A O no hydrogen 3.001 N/A SER 34.A N LEU 68.A O no hydrogen 2.850 N/A PHE 35.A N ARG 336.A O no hydrogen 2.827 N/A ASN 36.A N VAL 66.A O no hydrogen 2.784 N/A ASN 36.A ND2 ILE 99.A O no hydrogen 2.673 N/A THR 37.A N VAL 66.A O no hydrogen 3.223 N/A THR 37.A OG1 ASN 36.A OD1 no hydrogen 2.587 N/A THR 39.A N TYR 64.A O no hydrogen 2.952 N/A ARG 41.A N LEU 62.A O no hydrogen 2.971 N/A ARG 45.A N ASP 560.A OD1 no hydrogen 3.414 N/A ARG 45.A NE ASP 448.A OD1 no hydrogen 3.047 N/A ARG 45.A NE ASP 448.A OD2 no hydrogen 2.968 N/A ARG 45.A NH2 ASP 448.A OD1 no hydrogen 3.059 N/A LYS 46.A NZ GLN 50.A OE1 no hydrogen 2.636 N/A TYR 48.A N ALA 44.A O no hydrogen 2.799 N/A TYR 48.A OH ASP 264.A OD2 no hydrogen 2.707 N/A ILE 49.A N ARG 45.A O no hydrogen 2.955 N/A GLN 50.A N LYS 46.A O no hydrogen 2.843 N/A TRP 51.A N ALA 47.A O no hydrogen 2.948 N/A LYS 52.A N TYR 48.A O no hydrogen 2.892 N/A LYS 52.A NZ ASP 264.A OD2 no hydrogen 2.693 N/A GLU 53.A N ILE 49.A O no hydrogen 2.917 N/A GLN 54.A N GLN 50.A O no hydrogen 2.947 N/A GLY 56.A N GLN 50.A O no hydrogen 2.856 N/A ARG 61.A NE GLU 16.A OE2 no hydrogen 2.681 N/A ARG 61.A NH1 ASP 10.A O no hydrogen 2.932 N/A ARG 61.A NH2 ASP 10.A O no hydrogen 2.846 N/A ARG 61.A NH2 PRO 11.A O no hydrogen 3.135 N/A ARG 61.A NH2 GLU 16.A OE1 no hydrogen 2.987 N/A ARG 61.A NH2 GLU 16.A OE2 no hydrogen 3.536 N/A ALA 63.A N VAL 80.A O no hydrogen 2.974 N/A TYR 64.A N THR 39.A O no hydrogen 2.737 N/A TYR 64.A OH GLU 77.A OE1 no hydrogen 2.674 N/A TYR 65.A N GLY 78.A O no hydrogen 2.964 N/A TYR 65.A OH THR 90.A OG1 no hydrogen 3.353 N/A VAL 66.A N THR 37.A O no hydrogen 2.881 N/A ILE 67.A N LYS 76.A O no hydrogen 2.841 N/A LEU 68.A N SER 34.A O no hydrogen 2.938 N/A ALA 70.A N LYS 32.A O no hydrogen 2.982 N/A LYS 72.A N GLU 69.A O no hydrogen 2.986 N/A VAL 75.A N LEU 93.A O no hydrogen 2.926 N/A LYS 76.A N ILE 67.A O no hydrogen 2.897 N/A LYS 76.A NZ GLU 69.A OE1 no hydrogen 2.646 N/A GLU 77.A N ARG 91.A O no hydrogen 2.849 N/A GLY 78.A N TYR 65.A O no hydrogen 3.088 N/A LEU 79.A N GLU 89.A O no hydrogen 2.988 N/A VAL 80.A N ALA 63.A O no hydrogen 2.776 N/A ASP 81.A N SER 86.A O no hydrogen 2.812 N/A LEU 82.A N ARG 61.A O no hydrogen 3.090 N/A SER 84.A N ASP 81.A OD2 no hydrogen 3.005 N/A SER 84.A OG ASP 81.A OD2 no hydrogen 2.783 N/A SER 84.A OG SER 86.A OG no hydrogen 2.801 N/A LEU 85.A N LEU 82.A O no hydrogen 3.439 N/A SER 86.A N ASP 81.A O no hydrogen 3.242 N/A SER 86.A OG SER 84.A OG no hydrogen 2.801 N/A ILE 88.A N LEU 79.A O no hydrogen 2.867 N/A THR 90.A OG1 TYR 65.A OH no hydrogen 3.353 N/A ARG 91.A N GLU 77.A O no hydrogen 2.907 N/A ARG 91.A NE GLU 77.A OE2 no hydrogen 2.746 N/A ARG 91.A NH2 GLU 77.A OE2 no hydrogen 2.943 N/A LEU 93.A N VAL 75.A O no hydrogen 2.871 N/A GLN 97.A NE2 THR 150.A O no hydrogen 2.946 N/A LEU 100.A N GLU 306.A O no hydrogen 2.828 N/A THR 101.A N ASP 104.A OD2 no hydrogen 2.993 N/A THR 101.A OG1 ASP 104.A OD2 no hydrogen 3.004 N/A ASP 104.A N THR 101.A OG1 no hydrogen 3.246 N/A LEU 105.A N THR 101.A O no hydrogen 2.964 N/A CYS 106.A N VAL 102.A O no hydrogen 2.922 N/A CYS 106.A SG VAL 102.A O no hydrogen 3.501 N/A SER 107.A N GLU 103.A O no hydrogen 3.164 N/A SER 107.A OG ASP 104.A O no hydrogen 2.952 N/A THR 108.A OG1 ASP 104.A O no hydrogen 3.493 N/A THR 108.A OG1 GLN 155.A OE1 no hydrogen 3.179 N/A ILE 112.A N THR 108.A O no hydrogen 3.035 N/A ARG 113.A N GLU 109.A O no hydrogen 2.944 N/A ARG 113.A NE MET 132.A O no hydrogen 3.271 N/A ARG 113.A NE VAL 135.A O no hydrogen 2.830 N/A ARG 113.A NH1 GLU 110.A OE1.A no hydrogen 3.354 N/A ARG 113.A NH2 VAL 135.A O no hydrogen 2.804 N/A ASN 114.A N VAL 111.A O no hydrogen 3.354 N/A ASN 114.A ND2 GLU 110.A O no hydrogen 2.713 N/A ASN 114.A ND2 GLU 110.A OE2.A no hydrogen 3.376 N/A ASP 115.A N ILE 112.A O no hydrogen 3.366 N/A VAL 118.A N ASP 115.A OD2 no hydrogen 3.037 N/A ILE 119.A N ASP 115.A O no hydrogen 2.920 N/A GLU 120.A N PRO 116.A O no hydrogen 2.997 N/A GLN 121.A N ALA 117.A O no hydrogen 3.200 N/A CYS 122.A N VAL 118.A O no hydrogen 2.969 N/A CYS 122.A SG VAL 118.A O no hydrogen 3.493 N/A VAL 123.A N ILE 119.A O no hydrogen 2.934 N/A LEU 124.A N GLU 120.A O no hydrogen 2.950 N/A SER 125.A N GLN 121.A O no hydrogen 2.971 N/A SER 125.A OG GLN 121.A O no hydrogen 2.762 N/A GLY 126.A N VAL 123.A O no hydrogen 2.988 N/A ILE 127.A N CYS 122.A O no hydrogen 2.932 N/A GLU 131.A N PRO 128.A O no hydrogen 2.930 N/A LYS 134.A N GLU 131.A O no hydrogen 2.876 N/A LYS 134.A NZ GLU 131.A OE1.A no hydrogen 3.239 N/A VAL 135.A N MET 132.A O no hydrogen 2.992 N/A TYR 136.A N TYR 160.A O no hydrogen 2.828 N/A CYS 137.A N GLU 109.A OE2 no hydrogen 2.881 N/A ASP 138.A N LEU 158.A O no hydrogen 2.939 N/A TRP 140.A N ASP 138.A O no hydrogen 3.138 N/A THR 141.A N TYR 307.A OH no hydrogen 2.856 N/A ILE 142.A N LEU 154.A O no hydrogen 3.213 N/A GLY 143.A N THR 141.A OG1 no hydrogen 3.107 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.720 N/A ARG 147.A N ASP 145.A OD1 no hydrogen 2.853 N/A ARG 147.A NE ASP 145.A OD1 no hydrogen 2.965 N/A ARG 147.A NE ASP 145.A OD2 no hydrogen 3.368 N/A ARG 147.A NH1 ASP 191.A OD1 no hydrogen 3.124 N/A ARG 147.A NH2 ASP 145.A OD2 no hydrogen 2.715 N/A ARG 147.A NH2 ASP 191.A OD1 no hydrogen 3.035 N/A ARG 147.A NH2 ASP 191.A OD2 no hydrogen 3.327 N/A TRP 148.A N ASP 145.A O no hydrogen 3.016 N/A GLY 149.A N ASP 145.A O no hydrogen 3.021 N/A THR 150.A OG1 THR 95.A O no hydrogen 2.877 N/A GLY 151.A N TRP 148.A O no hydrogen 2.999 N/A ARG 153.A NH1 GLU 183.A OE2 no hydrogen 2.835 N/A ARG 153.A NH2 PRO 98.A O no hydrogen 3.234 N/A ARG 153.A NH2 ASP 104.A OD2 no hydrogen 3.323 N/A LEU 154.A N GLN 572.A OE1 no hydrogen 2.925 N/A GLN 155.A N VAL 180.A O no hydrogen 2.893 N/A GLN 155.A NE2 THR 182.A OG1 no hydrogen 2.852 N/A GLN 156.A N TRP 140.A O no hydrogen 2.824 N/A GLN 156.A NE2 THR 141.A O no hydrogen 2.959 N/A GLN 156.A NE2 ARG 298.A O no hydrogen 3.016 N/A ALA 157.A N PRO 178.A O no hydrogen 2.875 N/A LEU 158.A N ASP 138.A O no hydrogen 2.997 N/A TYR 160.A N TYR 136.A O no hydrogen 2.867 N/A TYR 160.A OH THR 414.A O no hydrogen 2.909 N/A TYR 161.A N HIS 172.A O no hydrogen 2.939 N/A ARG 162.A N LYS 134.A O no hydrogen 2.870 N/A ARG 162.A NE GLN 169.A OE1 no hydrogen 2.990 N/A ARG 162.A NH1 GLU 165.A O no hydrogen 2.968 N/A ARG 162.A NH2 GLN 169.A OE1 no hydrogen 2.963 N/A SER 163.A OG ASP 167.A OD2 no hydrogen 2.623 N/A ASP 164.A N ASP 167.A OD2 no hydrogen 2.992 N/A ASP 166.A N ASP 164.A OD2 no hydrogen 2.987 N/A ASP 167.A N ASP 164.A O no hydrogen 2.923 N/A SER 168.A N ASN 206.A OD1 no hydrogen 2.748 N/A TYR 170.A OH ASP 138.A OD1 no hydrogen 3.260 N/A TYR 170.A OH ASP 138.A OD2 no hydrogen 2.573 N/A SER 171.A OG HIS 172.A ND1 no hydrogen 2.696 N/A HIS 172.A N GLN 169.A O no hydrogen 2.878 N/A HIS 172.A ND1 SER 171.A OG no hydrogen 2.696 N/A HIS 172.A NE2 HIS 202.A O no hydrogen 2.745 N/A LEU 174.A N VAL 159.A O no hydrogen 2.881 N/A CYS 177.A N ASP 191.A O no hydrogen 2.945 N/A CYS 177.A SG ALA 157.A O no hydrogen 3.922 N/A CYS 177.A SG PRO 178.A O no hydrogen 3.970 N/A ILE 179.A N PHE 189.A O no hydrogen 2.712 N/A VAL 180.A N GLN 155.A O no hydrogen 2.882 N/A ASP 181.A N LYS 186.A O no hydrogen 2.789 N/A THR 182.A N ARG 153.A O no hydrogen 2.845 N/A THR 182.A OG1 ARG 153.A O no hydrogen 3.411 N/A GLU 183.A N ASP 181.A OD1 no hydrogen 3.088 N/A GLU 184.A N ASP 181.A OD1 no hydrogen 3.042 N/A ILE 188.A N ILE 179.A O no hydrogen 2.875 N/A ASP 191.A N CYS 177.A O no hydrogen 3.023 N/A ARG 195.A NH2 GLU 421.A OE1 no hydrogen 2.682 N/A ARG 196.A NE ASP 175.A OD2 no hydrogen 2.888 N/A ARG 196.A NH1 GLN 121.A OE1 no hydrogen 2.780 N/A ARG 196.A NH2 GLN 121.A OE1 no hydrogen 2.866 N/A ARG 196.A NH2 ASP 175.A OD1 no hydrogen 2.892 N/A ARG 197.A N ASP 175.A OD2 no hydrogen 2.787 N/A ARG 197.A NE GLU 421.A OE1 no hydrogen 3.136 N/A ARG 197.A NH1 ARG 195.A O no hydrogen 3.337 N/A ARG 197.A NH2 GLU 421.A OE1 no hydrogen 3.163 N/A ARG 197.A NH2 GLU 421.A OE2 no hydrogen 2.890 N/A VAL 199.A N SER 125.A O no hydrogen 2.859 N/A HIS 202.A N SER 200.A OG no hydrogen 3.015 N/A HIS 204.A NE2 TYR 161.A O no hydrogen 2.807 N/A ALA 205.A N SER 171.A OG no hydrogen 3.216 N/A ASN 206.A ND2 ASP 167.A OD1 no hydrogen 3.001 N/A TYR 208.A N HIS 211.A ND1 no hydrogen 3.311 N/A LYS 210.A NZ ASP 166.A OD2 no hydrogen 2.760 N/A MET 212.A N TYR 208.A O no hydrogen 3.005 N/A ILE 213.A N PRO 209.A O no hydrogen 2.933 N/A GLU 214.A N LYS 210.A O no hydrogen 3.484 N/A LYS 215.A N HIS 211.A O no hydrogen 2.955 N/A LYS 215.A NZ ASN 206.A O no hydrogen 2.818 N/A VAL 216.A N MET 212.A O no hydrogen 2.700 N/A GLY 217.A N ILE 213.A O no hydrogen 2.865 N/A GLN 230.A NE2 GLU 351.A OE2 no hydrogen 2.890 N/A GLY 233.A N GLN 230.A O no hydrogen 2.939 N/A SER 235.A N GLU 351.A OE2 no hydrogen 2.740 N/A SER 235.A OG GLU 351.A OE1 no hydrogen 2.597 N/A LYS 237.A N GLU 244.A O no hydrogen 2.951 N/A THR 239.A N VAL 242.A O no hydrogen 2.846 N/A ASN 241.A ND2 ILE 252.A O no hydrogen 2.758 N/A VAL 242.A N THR 239.A O no hydrogen 2.965 N/A MET 243.A N PHE 250.A O no hydrogen 2.748 N/A GLU 244.A N LYS 237.A O no hydrogen 2.847 N/A TRP 245.A N PHE 248.A O no hydrogen 3.037 N/A TRP 245.A NE1 GLU 351.A OE1 no hydrogen 3.105 N/A ASN 247.A ND2 TYR 267.A OH no hydrogen 3.103 N/A PHE 248.A N TRP 245.A O no hydrogen 2.813 N/A LYS 249.A N SER 266.A O no hydrogen 3.024 N/A PHE 250.A N MET 243.A O no hydrogen 3.047 N/A HIS 251.A N SER 263.A O no hydrogen 2.818 N/A HIS 251.A NE2 ASP 10.A OD1 no hydrogen 2.840 N/A ILE 252.A N ASN 241.A O no hydrogen 2.831 N/A GLY 253.A N VAL 261.A O no hydrogen 2.751 N/A ASN 255.A N GLY 259.A O no hydrogen 2.926 N/A ASN 255.A ND2 GLU 258.A OE2 no hydrogen 2.979 N/A ARG 257.A N ASN 255.A OD1 no hydrogen 2.794 N/A ARG 257.A NH1 TYR 256.A OH no hydrogen 3.474 N/A ARG 257.A NH1 ASP 568.A O no hydrogen 2.739 N/A ARG 257.A NH2 GLY 567.A O no hydrogen 3.040 N/A ARG 257.A NH2 ASP 568.A O no hydrogen 3.288 N/A GLU 258.A N ASN 255.A OD1 no hydrogen 2.811 N/A GLY 259.A N ASN 255.A O no hydrogen 3.057 N/A VAL 261.A N GLY 253.A O no hydrogen 2.960 N/A LEU 262.A N ILE 280.A O no hydrogen 2.981 N/A SER 263.A N HIS 251.A O no hydrogen 2.970 N/A ASP 264.A N HIS 278.A O no hydrogen 2.845 N/A VAL 265.A N PHE 277.A O no hydrogen 2.821 N/A SER 266.A N LYS 249.A O no hydrogen 2.889 N/A TYR 267.A N ARG 274.A O no hydrogen 2.853 N/A ASN 268.A N ASN 247.A O no hydrogen 2.759 N/A ASP 269.A N ASN 272.A O no hydrogen 2.789 N/A GLY 271.A N ASN 268.A OD1 no hydrogen 2.686 N/A ASN 272.A N ASP 269.A O no hydrogen 3.045 N/A ARG 274.A N TYR 267.A O no hydrogen 2.829 N/A ARG 274.A NE ASP 452.A OD1 no hydrogen 2.919 N/A ARG 274.A NH1 ASP 269.A OD2 no hydrogen 2.898 N/A ARG 274.A NH1 PHE 630.A O no hydrogen 2.908 N/A ARG 274.A NH2 ASP 452.A OD2 no hydrogen 2.744 N/A ARG 274.A NH2 PHE 630.A O no hydrogen 2.841 N/A ILE 276.A N VAL 265.A O no hydrogen 2.824 N/A PHE 277.A N VAL 265.A O no hydrogen 3.267 N/A HIS 278.A N ASP 448.A O no hydrogen 2.723 N/A ARG 279.A N ASP 448.A O no hydrogen 3.264 N/A ARG 279.A NE GLU 42.A OE1 no hydrogen 2.826 N/A ARG 279.A NH1 GLU 258.A OE1 no hydrogen 2.806 N/A ARG 279.A NH2 GLU 42.A OE1 no hydrogen 3.523 N/A ARG 279.A NH2 GLU 42.A OE2 no hydrogen 2.806 N/A ARG 279.A NH2 GLU 258.A OE1 no hydrogen 3.531 N/A ARG 279.A NH2 GLU 258.A OE2 no hydrogen 2.978 N/A ILE 280.A N LEU 262.A O no hydrogen 2.816 N/A SER 281.A N ARG 446.A O no hydrogen 3.202 N/A SER 281.A OG GLU 258.A OE1 no hydrogen 2.586 N/A SER 283.A N SER 444.A O no hydrogen 2.841 N/A SER 283.A OG SER 444.A O no hydrogen 3.058 N/A MET 285.A N GLU 284.A OE1 no hydrogen 2.842 N/A ILE 286.A N LEU 442.A O no hydrogen 2.895 N/A VAL 287.A N ALA 301.A O no hydrogen 2.826 N/A TYR 289.A N LYS 299.A O no hydrogen 3.013 N/A GLY 290.A N ASN 438.A O no hydrogen 2.806 N/A GLU 293.A N SER 291.A OG no hydrogen 3.315 N/A HIS 296.A N GLU 293.A O no hydrogen 2.770 N/A GLN 297.A N GLN 297.A OE1 no hydrogen 2.802 N/A ARG 298.A N PRO 295.A O no hydrogen 3.036 N/A ARG 298.A NE GLN 156.A OE1 no hydrogen 2.877 N/A ARG 298.A NH1 ASP 145.A OD2 no hydrogen 2.825 N/A ARG 298.A NH1 ASP 191.A OD2 no hydrogen 2.752 N/A ARG 298.A NH2 GLN 156.A OE1 no hydrogen 3.186 N/A ARG 298.A NH2 ASP 191.A OD2 no hydrogen 2.876 N/A LYS 299.A N HIS 296.A O no hydrogen 3.028 N/A LYS 299.A NZ ASN 413.A OD1 no hydrogen 2.701 N/A LYS 299.A NZ HIS 437.A ND1 no hydrogen 3.002 N/A HIS 300.A ND1 GLN 297.A O no hydrogen 2.796 N/A LEU 302.A N GLU 306.A OE1 no hydrogen 2.883 N/A GLY 305.A N GLU 284.A OE1 no hydrogen 2.879 N/A GLU 306.A N LEU 302.A O no hydrogen 2.756 N/A TYR 307.A N ASP 303.A O no hydrogen 2.999 N/A GLY 308.A N ASP 303.A O no hydrogen 2.904 N/A ALA 309.A N ARG 257.A O no hydrogen 2.790 N/A GLY 310.A N TYR 256.A O no hydrogen 2.963 N/A TYR 311.A N TYR 256.A O no hydrogen 2.947 N/A TYR 311.A OH ASN 36.A O no hydrogen 2.658 N/A MET 312.A N GLY 308.A O no hydrogen 2.955 N/A THR 313.A N GLY 310.A O no hydrogen 2.969 N/A THR 313.A OG1 GLN 382.A OE1 no hydrogen 2.932 N/A THR 313.A OG1 ILE 383.A O no hydrogen 3.381 N/A ASN 314.A N ILE 383.A O no hydrogen 2.682 N/A ASN 314.A ND2 THR 385.A OG1 no hydrogen 2.924 N/A LEU 316.A N ASN 345.A O no hydrogen 2.806 N/A SER 317.A N ASP 321.A OD1 no hydrogen 2.717 N/A CYS 320.A N SER 317.A O no hydrogen 2.885 N/A ASP 321.A N SER 317.A O no hydrogen 3.436 N/A LYS 323.A NZ ILE 226.A O no hydrogen 2.743 N/A HIS 327.A N ILE 349.A O no hydrogen 2.898 N/A LEU 329.A N VAL 347.A O no hydrogen 2.959 N/A ALA 331.A N VAL 343.A O no hydrogen 2.896 N/A PHE 333.A N ILE 341.A O no hydrogen 2.946 N/A SER 334.A OG ASP 335.A O no hydrogen 2.896 N/A ASP 335.A N ASP 339.A O no hydrogen 2.836 N/A ARG 336.A N GLU 103.A OE1 no hydrogen 2.842 N/A ARG 336.A NH1.A ASP 104.A OD1 no hydrogen 3.073 N/A ARG 336.A NH1.A GLU 183.A OE2 no hydrogen 3.130 N/A ARG 336.A NH1.B GLU 183.A OE1 no hydrogen 3.055 N/A ARG 336.A NH2.A GLU 183.A OE1 no hydrogen 2.687 N/A ARG 336.A NH2.A GLU 183.A OE2 no hydrogen 3.568 N/A ARG 336.A NH2.B ASP 104.A OD1 no hydrogen 2.817 N/A ARG 336.A NH2.B GLU 183.A OE2 no hydrogen 2.817 N/A GLY 338.A N ASP 335.A O no hydrogen 2.978 N/A ASP 339.A N ASP 335.A OD1 no hydrogen 2.943 N/A ILE 341.A N PHE 333.A O no hydrogen 2.818 N/A VAL 343.A N ALA 331.A O no hydrogen 2.815 N/A LYS 344.A NZ ASP 330.A OD2 no hydrogen 2.842 N/A ASN 345.A N ASP 330.A OD1 no hydrogen 2.875 N/A ALA 346.A N LEU 329.A O no hydrogen 2.825 N/A VAL 347.A N LEU 329.A O no hydrogen 3.167 N/A CYS 348.A N SER 381.A O no hydrogen 2.916 N/A CYS 348.A SG.A SER 381.A OG.B no hydrogen 2.758 N/A ILE 349.A N HIS 327.A O no hydrogen 2.853 N/A HIS 350.A N VAL 379.A O no hydrogen 3.059 N/A GLU 352.A N LYS 377.A O no hydrogen 2.867 N/A ASP 354.A N ALA 375.A O no hydrogen 2.809 N/A GLY 355.A N ASP 353.A OD1.A no hydrogen 3.045 N/A LEU 357.A N THR 373.A O no hydrogen 2.780 N/A PHE 358.A N THR 373.A O no hydrogen 3.365 N/A HIS 360.A N LEU 371.A O no hydrogen 3.044 N/A SER 361.A OG SER 370.A OG no hydrogen 2.688 N/A ASP 362.A N THR 369.A O no hydrogen 2.890 N/A ARG 364.A N ASP 362.A OD1 no hydrogen 2.976 N/A ARG 364.A NH1 ASP 362.A OD1 no hydrogen 2.832 N/A ASN 366.A N PHE 363.A O no hydrogen 3.102 N/A PHE 367.A N ASP 362.A O no hydrogen 2.929 N/A ALA 368.A N ASP 365.A O no hydrogen 3.172 N/A THR 369.A N ASP 365.A OD1 no hydrogen 2.959 N/A THR 369.A OG1 ASP 365.A OD2 no hydrogen 2.523 N/A THR 369.A OG1 THR 647.A OG1 no hydrogen 2.736 N/A SER 370.A N MET 645.A O no hydrogen 2.954 N/A SER 370.A OG SER 361.A OG no hydrogen 2.688 N/A LEU 371.A N HIS 360.A O no hydrogen 2.971 N/A VAL 372.A N TYR 643.A O no hydrogen 2.858 N/A THR 373.A N PHE 358.A O no hydrogen 3.029 N/A ARG 374.A NE.B ASP 353.A OD2.A no hydrogen 3.210 N/A ARG 374.A NH1.A ASP 353.A OD1.A no hydrogen 2.497 N/A ARG 374.A NH2.B ASP 353.A OD1.A no hydrogen 2.722 N/A ARG 374.A NH2.B ASP 353.A OD2.A no hydrogen 3.432 N/A ALA 375.A N GLY 355.A O no hydrogen 2.689 N/A THR 376.A N GLN 398.A OE1 no hydrogen 2.989 N/A LYS 377.A N GLU 352.A O no hydrogen 2.816 N/A LEU 378.A N PHE 396.A O no hydrogen 3.047 N/A VAL 379.A N HIS 350.A O no hydrogen 2.799 N/A VAL 380.A N TRP 394.A O no hydrogen 2.933 N/A SER 381.A N CYS 348.A O no hydrogen 2.850 N/A SER 381.A OG.A LEU 392.A O no hydrogen 2.973 N/A GLN 382.A N LEU 392.A O no hydrogen 3.079 N/A PHE 384.A N TYR 390.A O no hydrogen 2.974 N/A THR 385.A N MET 312.A O no hydrogen 2.993 N/A THR 385.A OG1 GLU 389.A OE2 no hydrogen 2.699 N/A ASN 388.A ND2 ILE 411.A O no hydrogen 2.857 N/A TYR 390.A N PHE 384.A O no hydrogen 2.923 N/A TYR 390.A OH HIS 441.A ND1 no hydrogen 2.889 N/A CYS 391.A N ARG 407.A O no hydrogen 2.874 N/A CYS 391.A SG ARG 407.A O no hydrogen 3.607 N/A LEU 392.A N GLN 382.A O no hydrogen 2.825 N/A TYR 393.A N ASP 405.A O no hydrogen 2.790 N/A TRP 394.A N VAL 380.A O no hydrogen 2.857 N/A VAL 395.A N ARG 403.A O no hydrogen 2.735 N/A PHE 396.A N LEU 378.A O no hydrogen 2.850 N/A MET 397.A N ALA 401.A O no hydrogen 2.963 N/A GLN 398.A NE2 SER 246.A OG no hydrogen 3.413 N/A GLY 400.A N MET 397.A O no hydrogen 3.009 N/A ALA 401.A N ASP 399.A OD1 no hydrogen 3.080 N/A ILE 402.A N LEU 625.A O no hydrogen 2.960 N/A ARG 403.A N VAL 395.A O no hydrogen 2.757 N/A ARG 403.A NE ASP 405.A OD1 no hydrogen 3.048 N/A ARG 403.A NE ASP 405.A OD2 no hydrogen 2.949 N/A ARG 403.A NH2 ASP 405.A OD2 no hydrogen 2.964 N/A LEU 404.A N LEU 623.A O no hydrogen 3.038 N/A ASP 405.A N TYR 393.A O no hydrogen 2.883 N/A ILE 406.A N ILE 621.A O no hydrogen 2.781 N/A ARG 407.A N CYS 391.A O no hydrogen 2.870 N/A LEU 408.A N GLU 619.A O no hydrogen 2.888 N/A THR 409.A N GLU 389.A O no hydrogen 2.934 N/A GLY 410.A N THR 409.A OG1 no hydrogen 2.724 N/A ILE 411.A N ASN 388.A O no hydrogen 2.845 N/A THR 414.A OG1 TYR 170.A O no hydrogen 2.646 N/A TYR 415.A N ASN 435.A O no hydrogen 2.809 N/A TYR 415.A OH ASP 175.A O no hydrogen 2.658 N/A LEU 417.A N ASN 433.A O no hydrogen 2.999 N/A GLY 418.A N GLU 421.A OE1 no hydrogen 2.941 N/A GLU 421.A N GLY 418.A O no hydrogen 3.226 N/A GLY 424.A N GLU 422.A OE2 no hydrogen 2.928 N/A GLY 427.A N ALA 423.A O no hydrogen 3.041 N/A THR 428.A N ALA 436.A O no hydrogen 2.951 N/A THR 428.A OG1 PRO 609.A O no hydrogen 2.676 N/A VAL 430.A N VAL 434.A O no hydrogen 3.323 N/A TYR 431.A OH LYS 203.A O no hydrogen 2.633 N/A ASN 433.A ND2 LEU 417.A O no hydrogen 2.798 N/A ASN 433.A ND2 ASP 419.A OD1 no hydrogen 2.846 N/A VAL 434.A N TYR 431.A O no hydrogen 2.947 N/A ASN 435.A N TYR 415.A O no hydrogen 2.813 N/A ALA 436.A N THR 428.A O no hydrogen 2.944 N/A ASN 438.A N TRP 426.A O no hydrogen 2.790 N/A ASN 438.A ND2 PRO 425.A O no hydrogen 3.003 N/A HIS 439.A N HIS 607.A O no hydrogen 3.107 N/A HIS 439.A ND1 HIS 437.A O no hydrogen 2.889 N/A GLN 440.A N PRO 288.A O no hydrogen 2.986 N/A GLN 440.A NE2 PRO 533.A O no hydrogen 2.846 N/A GLN 440.A NE2 THR 606.A OG1 no hydrogen 2.964 N/A HIS 441.A N ILE 605.A O no hydrogen 2.848 N/A HIS 441.A ND1 TYR 390.A OH no hydrogen 2.889 N/A LEU 442.A N ILE 286.A O no hydrogen 2.894 N/A PHE 443.A N PHE 603.A O no hydrogen 2.808 N/A SER 444.A N GLU 284.A O no hydrogen 2.883 N/A LEU 445.A N HIS 601.A O no hydrogen 2.807 N/A ARG 446.A N SER 281.A O no hydrogen 2.864 N/A ARG 446.A NE ARG 562.A O no hydrogen 2.878 N/A ARG 446.A NH2 ARG 562.A O no hydrogen 3.204 N/A ILE 447.A N PHE 599.A O no hydrogen 2.870 N/A ASP 448.A N ARG 279.A O no hydrogen 2.814 N/A ARG 450.A N ILE 276.A O no hydrogen 2.812 N/A ARG 450.A NE ASP 454.A OD1 no hydrogen 2.674 N/A ARG 450.A NH1 GLU 53.A OE1 no hydrogen 2.534 N/A ARG 450.A NH1 GLU 53.A OE2 no hydrogen 3.317 N/A ARG 450.A NH1 ASP 454.A OD2 no hydrogen 3.549 N/A ARG 450.A NH2 GLU 53.A OE2 no hydrogen 2.768 N/A ASP 452.A N PRO 275.A O no hydrogen 2.767 N/A GLY 453.A N ARG 450.A O no hydrogen 2.959 N/A ASN 456.A N THR 595.A O no hydrogen 2.932 N/A SER 457.A N PHE 509.A O no hydrogen 2.874 N/A SER 457.A OG ASP 593.A OD1 no hydrogen 2.701 N/A ALA 459.A N ASP 507.A O no hydrogen 2.960 N/A ALA 460.A N THR 486.A O no hydrogen 3.019 N/A CYS 461.A N SER 505.A O no hydrogen 2.837 N/A CYS 461.A SG ASP 507.A OD2 no hydrogen 3.332 N/A ASP 462.A N GLU 484.A O no hydrogen 2.921 N/A ALA 463.A N THR 502.A O no hydrogen 2.909 N/A LYS 464.A N TYR 482.A O no hydrogen 2.906 N/A SER 466.A N ALA 480.A O no hydrogen 2.917 N/A TYR 468.A N SER 466.A OG no hydrogen 3.179 N/A GLY 471.A N MET 476.A O no hydrogen 3.000 N/A SER 472.A N PRO 469.A O no hydrogen 3.128 N/A SER 472.A OG PRO 469.A O no hydrogen 2.626 N/A GLU 474.A N GLU 474.A OE1 no hydrogen 2.882 N/A ASN 475.A N SER 472.A O no hydrogen 3.093 N/A ASN 475.A ND2 TYR 468.A O no hydrogen 2.951 N/A GLY 478.A N ASN 475.A O no hydrogen 2.938 N/A ALA 480.A N ASN 475.A OD1 no hydrogen 3.057 N/A TYR 482.A N LYS 464.A O no hydrogen 2.923 N/A TYR 482.A OH GLU 484.A OE2 no hydrogen 3.374 N/A GLU 484.A N ASP 462.A O no hydrogen 2.755 N/A THR 486.A N ALA 460.A O no hydrogen 2.821 N/A PHE 488.A N ALA 458.A O no hydrogen 2.892 N/A LYS 489.A N ASP 493.A OD2 no hydrogen 3.056 N/A THR 490.A N ASP 493.A OD2 no hydrogen 3.021 N/A THR 490.A OG1 ASP 493.A OD2 no hydrogen 3.392 N/A THR 490.A OG1 GLY 588.A O no hydrogen 3.411 N/A VAL 491.A N GLU 590.A O no hydrogen 3.040 N/A LYS 492.A N GLY 588.A O no hydrogen 2.916 N/A ASP 493.A N THR 490.A O no hydrogen 2.934 N/A SER 494.A N VAL 491.A O no hydrogen 2.879 N/A SER 494.A OG VAL 491.A O no hydrogen 2.686 N/A SER 494.A OG VAL 555.A O no hydrogen 3.303 N/A LEU 495.A N LYS 492.A O no hydrogen 3.328 N/A THR 496.A N VAL 553.A O no hydrogen 3.293 N/A THR 496.A OG1 SER 494.A O no hydrogen 2.885 N/A TYR 498.A N SER 552.A OG no hydrogen 2.932 N/A THR 502.A N GLU 499.A O no hydrogen 3.335 N/A THR 502.A OG1 ASP 462.A OD1 no hydrogen 2.700 N/A THR 502.A OG1 GLU 499.A O no hydrogen 3.559 N/A GLY 503.A N SER 500.A O no hydrogen 3.280 N/A ARG 504.A N GLU 499.A O no hydrogen 3.161 N/A ARG 504.A NE ASP 462.A OD1 no hydrogen 2.781 N/A ARG 504.A NH1 ASN 497.A O no hydrogen 2.913 N/A ARG 504.A NH2 ASP 462.A OD1 no hydrogen 3.424 N/A ARG 504.A NH2 ASP 462.A OD2 no hydrogen 3.006 N/A SER 505.A N CYS 461.A O no hydrogen 3.041 N/A TRP 506.A N LEU 526.A O no hydrogen 3.270 N/A TRP 506.A NE1 THR 496.A OG1 no hydrogen 2.987 N/A ASP 507.A N ALA 459.A O no hydrogen 2.883 N/A ILE 508.A N TYR 524.A O no hydrogen 2.894 N/A PHE 509.A N SER 457.A O no hydrogen 2.926 N/A ASN 510.A N PRO 522.A O no hydrogen 3.129 N/A ASN 510.A ND2 ILE 451.A O no hydrogen 2.987 N/A ASN 510.A ND2 ASP 452.A O no hydrogen 3.440 N/A ASN 512.A N ASN 510.A OD1 no hydrogen 2.858 N/A ASN 512.A ND2 ASN 510.A OD1 no hydrogen 2.946 N/A ASN 512.A ND2 ASN 594.A OD1 no hydrogen 2.913 N/A LYS 513.A N ASN 510.A O no hydrogen 3.278 N/A LYS 513.A NZ ASP 452.A O no hydrogen 2.687 N/A ASN 515.A N LYS 520.A O no hydrogen 2.731 N/A ASN 515.A ND2 HIS 629.A O no hydrogen 2.948 N/A ASN 515.A ND2 PHE 631.A O no hydrogen 2.947 N/A TYR 517.A N ASN 515.A OD1 no hydrogen 2.831 N/A SER 518.A N ASN 515.A OD1 no hydrogen 3.109 N/A SER 518.A OG HIS 629.A ND1 no hydrogen 2.748 N/A GLY 519.A N ASN 515.A O no hydrogen 2.864 N/A LYS 520.A N SER 518.A OG no hydrogen 3.344 N/A SER 523.A N ARG 628.A O no hydrogen 3.181 N/A SER 523.A OG ARG 628.A O no hydrogen 2.644 N/A TYR 524.A N ILE 508.A O no hydrogen 2.929 N/A TYR 524.A OH GLY 400.A O no hydrogen 2.683 N/A LYS 525.A N ARG 626.A O no hydrogen 2.762 N/A LYS 525.A NZ SER 505.A OG no hydrogen 2.806 N/A LYS 525.A NZ ASP 507.A OD1 no hydrogen 2.736 N/A LEU 526.A N TRP 506.A O no hydrogen 2.702 N/A VAL 527.A N MET 624.A O no hydrogen 2.864 N/A SER 528.A OG HIS 601.A NE2 no hydrogen 2.787 N/A GLN 530.A NE2 PRO 620.A O no hydrogen 3.125 N/A CYS 531.A SG SER 528.A O no hydrogen 3.435 N/A CYS 531.A SG SER 528.A OG no hydrogen 3.500 N/A LEU 535.A N GLN 440.A OE1 no hydrogen 3.117 N/A SER 540.A N LYS 537.A O no hydrogen 2.951 N/A SER 540.A OG LYS 537.A O no hydrogen 2.655 N/A ALA 543.A N SER 540.A OG no hydrogen 3.066 N/A LYS 544.A N SER 540.A O no hydrogen 2.883 N/A LYS 544.A NZ ASP 576.A OD1 no hydrogen 2.721 N/A LYS 544.A NZ ASP 576.A OD2 no hydrogen 3.316 N/A ARG 545.A N LEU 541.A O no hydrogen 2.976 N/A ARG 545.A NE TRP 573.A O no hydrogen 2.738 N/A ARG 545.A NH1 HIS 300.A NE2 no hydrogen 2.844 N/A ARG 545.A NH2 GLU 306.A OE2 no hydrogen 2.800 N/A ARG 545.A NH2 VAL 570.A O no hydrogen 2.934 N/A ALA 546.A N VAL 542.A O no hydrogen 3.017 N/A TRP 548.A NE1 SER 566.A OG no hydrogen 2.775 N/A ALA 549.A N ALA 546.A O no hydrogen 2.890 N/A SER 550.A OG.B PRO 547.A O no hydrogen 3.024 N/A SER 552.A N ASN 497.A OD1 no hydrogen 3.188 N/A VAL 553.A N THR 496.A O no hydrogen 2.836 N/A ASN 554.A N PHE 600.A O no hydrogen 2.927 N/A ASN 554.A ND2 TRP 548.A O no hydrogen 3.155 N/A ASN 554.A ND2 HIS 551.A O no hydrogen 3.694 N/A ASN 554.A ND2 PHE 600.A O no hydrogen 3.604 N/A VAL 555.A N SER 494.A OG no hydrogen 2.905 N/A VAL 556.A N LEU 598.A O no hydrogen 2.964 N/A TYR 558.A N ASP 596.A O no hydrogen 2.827 N/A TYR 558.A OH ASP 560.A OD1 no hydrogen 2.686 N/A ARG 562.A NH1 PRO 557.A O no hydrogen 2.910 N/A TYR 564.A OH GLU 258.A OE2 no hydrogen 2.759 N/A SER 566.A OG ARG 545.A O no hydrogen 2.714 N/A GLY 567.A N TYR 564.A O no hydrogen 3.038 N/A HIS 569.A NE2 GLU 77.A OE1 no hydrogen 2.842 N/A GLN 572.A N GLY 143.A O no hydrogen 2.816 N/A GLN 572.A NE2 GLY 149.A O no hydrogen 2.865 N/A GLN 572.A NE2 LYS 152.A O no hydrogen 2.694 N/A TRP 573.A N VAL 570.A O no hydrogen 3.184 N/A TRP 573.A NE1 ASP 576.A O no hydrogen 2.878 N/A SER 574.A OG ASP 576.A OD2 no hydrogen 2.678 N/A ASP 576.A N SER 574.A OG no hydrogen 3.004 N/A ARG 579.A N GLY 577.A O no hydrogen 3.205 N/A MET 581.A N PRO 565.A O no hydrogen 2.817 N/A ARG 582.A NH1 GLY 575.A O no hydrogen 2.829 N/A ARG 582.A NH1 GLY 577.A O no hydrogen 2.928 N/A ARG 582.A NH2 LYS 544.A O no hydrogen 2.874 N/A GLU 583.A N ARG 579.A O no hydrogen 3.313 N/A TRP 584.A N GLY 580.A O no hydrogen 3.016 N/A ILE 585.A N MET 581.A O no hydrogen 2.894 N/A GLY 586.A N ARG 582.A O no hydrogen 3.125 N/A GLY 588.A N ILE 585.A O no hydrogen 2.832 N/A SER 589.A N ASP 587.A OD1 no hydrogen 2.957 N/A SER 589.A OG ASP 587.A OD1 no hydrogen 2.633 N/A SER 589.A OG ASP 587.A OD2 no hydrogen 3.470 N/A ASN 591.A ND2 ASP 593.A O no hydrogen 3.014 N/A ILE 592.A N LYS 489.A O no hydrogen 3.031 N/A ASP 593.A N ASN 591.A OD1 no hydrogen 3.026 N/A ASN 594.A N SER 457.A OG no hydrogen 2.804 N/A ASN 594.A ND2 ASN 512.A OD1 no hydrogen 2.877 N/A THR 595.A N ASN 456.A O no hydrogen 3.039 N/A ASP 596.A N THR 595.A OG1 no hydrogen 2.750 N/A LEU 598.A N VAL 556.A O no hydrogen 2.782 N/A PHE 599.A N ILE 447.A O no hydrogen 2.912 N/A PHE 600.A N ASN 554.A O no hydrogen 2.813 N/A HIS 601.A N LEU 445.A O no hydrogen 2.843 N/A HIS 601.A ND1 SER 552.A O no hydrogen 2.812 N/A HIS 601.A NE2 SER 528.A OG no hydrogen 2.787 N/A THR 602.A N SER 552.A O no hydrogen 2.795 N/A THR 602.A OG1 TRP 548.A O no hydrogen 2.880 N/A THR 602.A OG1 HIS 551.A O no hydrogen 2.967 N/A PHE 603.A N PHE 443.A O no hydrogen 3.063 N/A GLY 604.A N GLN 530.A O no hydrogen 2.836 N/A ILE 605.A N HIS 441.A O no hydrogen 2.920 N/A HIS 607.A N HIS 439.A O no hydrogen 2.736 N/A HIS 607.A NE2 ASP 613.A OD2 no hydrogen 2.862 N/A ALA 610.A N ASP 613.A OD2 no hydrogen 3.049 N/A GLU 612.A N GLU 612.A OE1 no hydrogen 2.759 N/A ASP 613.A N ALA 610.A O no hydrogen 2.917 N/A PHE 614.A N PRO 611.A O no hydrogen 2.908 N/A GLU 619.A N LEU 408.A O no hydrogen 2.850 N/A ILE 621.A N ILE 406.A O no hydrogen 2.824 N/A THR 622.A N GLN 530.A OE1 no hydrogen 2.987 N/A THR 622.A OG1 LEU 404.A O no hydrogen 3.316 N/A THR 622.A OG1 ASP 405.A OD1 no hydrogen 2.649 N/A LEU 623.A N LEU 404.A O no hydrogen 3.077 N/A MET 624.A N VAL 527.A O no hydrogen 2.997 N/A LEU 625.A N ILE 402.A O no hydrogen 2.745 N/A ARG 626.A N LYS 525.A O no hydrogen 2.896 N/A ARG 628.A N SER 523.A O no hydrogen 2.974 N/A HIS 629.A ND1 SER 518.A OG no hydrogen 2.748 N/A GLY 636.A N ASN 634.A OD1 no hydrogen 2.907 N/A ILE 639.A N GLY 636.A O no hydrogen 3.111 N/A SER 642.A N VAL 372.A O no hydrogen 2.778 N/A TYR 643.A N VAL 372.A O no hydrogen 3.197 N/A MET 645.A N SER 370.A O no hydrogen 2.807 N/A THR 646.A N GLU 649.A OE1 no hydrogen 2.972 N/A THR 646.A OG1 SER 648.A OG no hydrogen 3.290 N/A THR 647.A OG1 THR 369.A OG1 no hydrogen 2.736 N/A SER 648.A OG THR 646.A OG1 no hydrogen 3.290 N/A GLU 649.A N THR 646.A OG1 no hydrogen 3.185 N/A ALA 650.A N THR 646.A O no hydrogen 2.895 N/A LYS 651.A N THR 647.A O no hydrogen 3.025 N/A ARG 652.A N SER 648.A O no hydrogen 2.983 N/A ALA 653.A N GLU 649.A O no hydrogen 3.031 N/A VAL 654.A N LYS 651.A O no hydrogen 3.047 N/A