Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2zuy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ASP 338.A O no hydrogen 2.763 N/A ARG 4.A N ALA 598.A O no hydrogen 3.029 N/A ARG 4.A NH1 ASP 341.A OD1 no hydrogen 3.285 N/A ARG 4.A NH1 ASP 341.A OD2 no hydrogen 2.869 N/A ARG 4.A NH2 GLY 339.A O no hydrogen 3.146 N/A ARG 4.A NH2 ASP 341.A OD1 no hydrogen 2.806 N/A GLN 5.A N GLU 280.A O no hydrogen 2.860 N/A GLN 5.A NE2 ASP 187.A O no hydrogen 2.845 N/A MET 6.A N TYR 600.A O no hydrogen 2.832 N/A THR 10.A N GLY 128.A O no hydrogen 3.090 N/A THR 10.A OG1 GLY 128.A O no hydrogen 3.546 N/A THR 10.A OG1 GLU 129.A OE1 no hydrogen 2.605 N/A ARG 11.A NH1.A ARG 27.A O no hydrogen 2.963 N/A ARG 11.A NH1.A ASP 32.A OD2 no hydrogen 2.549 N/A ARG 11.A NH1.B ARG 27.A O no hydrogen 2.783 N/A ARG 11.A NH1.B ASP 32.A OD2 no hydrogen 2.948 N/A ARG 11.A NH2.A ASP 32.A OD1 no hydrogen 2.575 N/A ARG 11.A NH2.A ASP 32.A OD2 no hydrogen 3.141 N/A GLY 12.A N THR 10.A OG1 no hydrogen 3.079 N/A ILE 14.A N SER 25.A O no hydrogen 2.898 N/A VAL 16.A N PHE 23.A O no hydrogen 2.801 N/A GLN 17.A N TRP 89.A O no hydrogen 2.844 N/A GLN 17.A NE2 THR 18.A O no hydrogen 3.027 N/A THR 18.A N GLY 21.A O no hydrogen 2.816 N/A THR 18.A OG1 GLY 21.A O no hydrogen 2.734 N/A GLU 19.A N GLU 19.A OE1.B no hydrogen 2.711 N/A GLN 20.A N THR 18.A OG1 no hydrogen 3.076 N/A GLN 20.A NE2 GLU 19.A OE1.B no hydrogen 3.034 N/A VAL 22.A N ASP 60.A O no hydrogen 2.906 N/A PHE 23.A N VAL 16.A O no hydrogen 2.837 N/A VAL 24.A N PHE 58.A O no hydrogen 2.756 N/A SER 25.A N ILE 14.A O no hydrogen 3.115 N/A TRP 26.A N THR 56.A O no hydrogen 3.045 N/A ARG 27.A N ARG 11.A O.A no hydrogen 2.722 N/A ARG 27.A N ARG 11.A O.B no hydrogen 2.748 N/A ARG 27.A NH1 THR 10.A O no hydrogen 2.792 N/A ARG 27.A NH2 LEU 526.A O no hydrogen 2.743 N/A LEU 29.A N ASP 32.A OD2 no hydrogen 2.847 N/A GLY 30.A N HIS 562.A ND1 no hydrogen 2.955 N/A ASP 32.A N LEU 29.A O no hydrogen 2.850 N/A HIS 33.A N THR 36.A OG1 no hydrogen 2.884 N/A THR 36.A N HIS 33.A O no hydrogen 2.919 N/A THR 36.A OG1 HIS 33.A O no hydrogen 3.024 N/A THR 36.A OG1 ASN 75.A OD1 no hydrogen 2.544 N/A ALA 37.A N VAL 74.A O no hydrogen 3.040 N/A PHE 38.A N ILE 52.A O no hydrogen 2.921 N/A HIS 39.A N ALA 72.A O no hydrogen 2.880 N/A HIS 39.A NE2 ARG 49.A O no hydrogen 3.114 N/A LEU 40.A N.A THR 48.A OG1 no hydrogen 2.926 N/A LEU 40.A N.B THR 48.A OG1 no hydrogen 2.924 N/A TYR 41.A N GLN 70.A O no hydrogen 2.784 N/A TYR 41.A OH GLU 79.A OE1 no hydrogen 2.456 N/A TYR 41.A OH GLU 79.A OE2 no hydrogen 2.828 N/A ARG 42.A N LYS 45.A O no hydrogen 2.813 N/A ARG 42.A NH2 ASP 60.A OD2 no hydrogen 2.830 N/A ASP 43.A N VAL 68.A O.A no hydrogen 2.819 N/A ASP 43.A N VAL 68.A O.B no hydrogen 2.864 N/A LYS 45.A N ARG 42.A O no hydrogen 3.076 N/A ARG 46.A NE.A TYR 41.A OH no hydrogen 2.971 N/A ARG 46.A NE.B THR 48.A O no hydrogen 2.731 N/A ARG 46.A NH2.A TYR 41.A OH no hydrogen 3.099 N/A ARG 46.A NH2.A GLU 79.A OE1 no hydrogen 3.442 N/A ARG 46.A NH2.A GLU 79.A OE2 no hydrogen 3.124 N/A ILE 47.A N LEU 40.A O.A no hydrogen 2.908 N/A ILE 47.A N LEU 40.A O.B no hydrogen 2.846 N/A ILE 52.A N PHE 38.A O no hydrogen 2.778 N/A SER 55.A OG ASN 57.A O no hydrogen 3.298 N/A SER 55.A OG ASN 57.A OD1 no hydrogen 2.959 N/A THR 56.A OG1 TRP 26.A O no hydrogen 2.835 N/A ASN 57.A N SER 55.A OG no hydrogen 3.325 N/A PHE 58.A N VAL 24.A O no hydrogen 2.839 N/A ASP 60.A N VAL 22.A O no hydrogen 2.809 N/A ASN 62.A N ASP 60.A OD1 no hydrogen 2.963 N/A GLY 63.A N ASP 60.A O no hydrogen 3.169 N/A THR 64.A N SER 67.A OG no hydrogen 2.880 N/A THR 64.A OG1 SER 67.A OG no hydrogen 3.340 N/A ASP 66.A N THR 64.A OG1 no hydrogen 3.389 N/A SER 67.A N THR 64.A O no hydrogen 3.123 N/A SER 67.A OG THR 64.A O no hydrogen 3.298 N/A SER 67.A OG THR 64.A OG1 no hydrogen 3.340 N/A VAL 68.A N.A ASP 43.A OD1 no hydrogen 3.001 N/A VAL 68.A N.B ASP 43.A OD1 no hydrogen 2.979 N/A TYR 69.A N ALA 86.A O no hydrogen 2.812 N/A TYR 69.A OH ASP 60.A OD2 no hydrogen 2.603 N/A GLN 70.A N TYR 41.A O no hydrogen 2.960 N/A GLN 70.A NE2 SER 83.A O no hydrogen 3.202 N/A VAL 71.A N SER 83.A OG no hydrogen 2.890 N/A ALA 72.A N HIS 39.A O no hydrogen 2.886 N/A VAL 74.A N ALA 37.A O no hydrogen 2.650 N/A ASN 75.A N ARG 78.A O no hydrogen 2.956 N/A ASN 75.A ND2 GLU 80.A OE2 no hydrogen 2.794 N/A ARG 78.A N ASN 75.A O no hydrogen 2.900 N/A GLU 80.A N ALA 73.A O no hydrogen 2.827 N/A SER 83.A N VAL 71.A O no hydrogen 2.882 N/A SER 83.A OG VAL 71.A O no hydrogen 3.475 N/A SER 83.A OG LYS 84.A O no hydrogen 2.962 N/A LYS 84.A NZ GLU 129.A OE1 no hydrogen 3.218 N/A ALA 86.A N TYR 69.A O no hydrogen 2.752 N/A TRP 89.A N ALA 15.A O no hydrogen 2.783 N/A ASN 92.A ND2 THR 548.A O no hydrogen 2.888 N/A LEU 94.A N ILE 546.A O no hydrogen 2.822 N/A VAL 96.A N LEU 544.A O no hydrogen 2.845 N/A LEU 98.A N SER 542.A O no hydrogen 2.883 N/A ALA 99.A N TYR 158.A OH no hydrogen 2.992 N/A LYS 100.A NZ ASP 540.A O no hydrogen 2.895 N/A GLY 104.A N TYR 112.A O no hydrogen 3.129 N/A THR 106.A N LYS 110.A O no hydrogen 2.980 N/A THR 106.A OG1 ASP 108.A OD1 no hydrogen 2.772 N/A THR 106.A OG1 LYS 110.A O no hydrogen 3.081 N/A GLY 109.A N THR 106.A O no hydrogen 2.851 N/A LYS 110.A N ASP 108.A OD1 no hydrogen 3.315 N/A TYR 112.A N GLY 104.A O no hydrogen 2.962 N/A THR 113.A N SER 139.A OG no hydrogen 2.998 N/A TYR 114.A OH GLU 152.A O no hydrogen 2.600 N/A SER 115.A N ASP 137.A O no hydrogen 3.000 N/A ALA 116.A N SER 541.A OG no hydrogen 2.857 N/A ASN 117.A N LYS 135.A O no hydrogen 2.894 N/A ASN 117.A ND2 ASN 514.A OD1 no hydrogen 2.900 N/A ALA 119.A N VAL 521.A O no hydrogen 2.956 N/A SER 120.A N ILE 133.A O no hydrogen 2.839 N/A GLY 122.A N GLU 131.A O no hydrogen 3.234 N/A ILE 124.A N GLU 131.A OE2 no hydrogen 2.824 N/A GLY 126.A N ASP 123.A OD1 no hydrogen 2.997 N/A ASP 127.A N ASP 123.A OD1 no hydrogen 3.391 N/A GLY 128.A N ASP 123.A OD2 no hydrogen 2.771 N/A GLU 129.A N ASP 127.A OD2 no hydrogen 3.129 N/A TYR 130.A OH GLU 7.A OE1 no hydrogen 2.699 N/A GLU 131.A N GLY 122.A O no hydrogen 2.849 N/A MET 132.A N TYR 158.A O no hydrogen 2.858 N/A ILE 133.A N SER 120.A O no hydrogen 2.897 N/A LEU 134.A N ASP 156.A O no hydrogen 2.826 N/A LYS 135.A N ASP 118.A O no hydrogen 2.848 N/A LYS 135.A NZ ASP 118.A OD2 no hydrogen 2.983 N/A TRP 136.A N LEU 154.A O no hydrogen 2.808 N/A TRP 136.A NE1 ASP 156.A OD2 no hydrogen 2.787 N/A ASP 137.A N SER 115.A O no hydrogen 2.940 N/A SER 139.A N THR 113.A O no hydrogen 2.761 N/A SER 139.A OG THR 113.A O no hydrogen 3.460 N/A SER 141.A N PRO 138.A O no hydrogen 3.105 N/A SER 141.A OG ASP 137.A OD1 no hydrogen 3.399 N/A SER 141.A OG ASP 137.A OD2 no hydrogen 2.673 N/A SER 141.A OG PRO 138.A O no hydrogen 3.475 N/A LYS 142.A N ALA 176.A O no hydrogen 2.899 N/A LYS 142.A NZ ASN 140.A O no hydrogen 2.786 N/A HIS 146.A N ASP 143.A O no hydrogen 3.060 N/A GLY 148.A N GLN 223.A O no hydrogen 2.684 N/A GLY 151.A N ASN 140.A OD1 no hydrogen 2.886 N/A ILE 155.A N ILE 168.A O no hydrogen 2.875 N/A ASP 156.A N LEU 134.A O no hydrogen 2.813 N/A ALA 157.A N TRP 166.A O no hydrogen 3.011 N/A TYR 158.A N MET 132.A O no hydrogen 2.921 N/A TYR 158.A OH ASP 156.A OD2 no hydrogen 2.695 N/A LYS 159.A N THR 163.A O no hydrogen 2.925 N/A LYS 159.A NZ.A ASP 125.A OD2 no hydrogen 2.665 N/A LYS 159.A NZ.A GLU 131.A OE1 no hydrogen 3.123 N/A GLY 162.A N LYS 159.A O no hydrogen 2.906 N/A THR 163.A N ASP 161.A OD1 no hydrogen 2.998 N/A THR 163.A OG1 ASP 161.A OD1 no hydrogen 2.716 N/A THR 163.A OG1 ASP 161.A OD2 no hydrogen 3.485 N/A LEU 165.A N ALA 157.A O no hydrogen 2.821 N/A TRP 166.A NE1 GLY 238.A O no hydrogen 2.793 N/A ARG 167.A NE ASP 156.A OD1 no hydrogen 2.707 N/A ARG 167.A NH2 ALA 99.A O no hydrogen 2.670 N/A ARG 167.A NH2 ASP 156.A OD2 no hydrogen 2.879 N/A ILE 168.A N ILE 155.A O no hydrogen 2.754 N/A ASN 169.A N THR 205.A O no hydrogen 2.968 N/A ASN 169.A ND2 GLU 152.A OE1.A no hydrogen 3.256 N/A ASN 169.A ND2 GLU 152.A OE1.B no hydrogen 2.764 N/A LEU 170.A N VAL 153.A O no hydrogen 2.939 N/A GLY 171.A N ASN 169.A OD1 no hydrogen 2.879 N/A ARG 172.A NH1 GLU 215.A O no hydrogen 3.069 N/A ARG 172.A NH1 ALA 217.A O no hydrogen 2.943 N/A ASN 173.A ND2 ASP 202.A O no hydrogen 2.902 N/A ASN 173.A ND2 ALA 217.A O no hydrogen 3.099 N/A ILE 174.A N GLY 171.A O no hydrogen 3.354 N/A ARG 175.A NE GLY 224.A O no hydrogen 3.119 N/A ARG 175.A NH1 ASN 144.A O no hydrogen 3.268 N/A ARG 175.A NH1 HIS 146.A O no hydrogen 3.488 N/A ARG 175.A NH1 TYR 180.A OH no hydrogen 2.996 N/A ARG 175.A NH2 HIS 146.A O no hydrogen 2.798 N/A ARG 175.A NH2 GLY 148.A O no hydrogen 2.893 N/A ALA 176.A N THR 150.A OG1 no hydrogen 3.008 N/A HIS 179.A NE2 TYR 577.A OH no hydrogen 3.001 N/A TYR 180.A N GLY 177.A O no hydrogen 3.226 N/A GLN 182.A NE2 ALA 178.A O no hydrogen 2.991 N/A GLN 182.A NE2 TYR 180.A O no hydrogen 3.103 N/A MET 184.A N ALA 197.A O no hydrogen 2.876 N/A TYR 186.A N GLU 195.A O no hydrogen 3.013 N/A TYR 186.A OH TYR 276.A OH no hydrogen 2.653 N/A LEU 188.A N GLU 195.A OE2 no hydrogen 2.752 N/A ASP 189.A N GLU 195.A OE2 no hydrogen 3.428 N/A GLY 190.A N ASP 187.A OD1 no hydrogen 3.006 N/A ASP 191.A N ASP 189.A OD1 no hydrogen 3.396 N/A GLY 192.A N ASP 187.A OD2 no hydrogen 2.718 N/A LYS 193.A N ASP 191.A OD1 no hydrogen 2.995 N/A LYS 193.A NZ GLU 239.A OE1.A no hydrogen 3.279 N/A LYS 193.A NZ GLU 239.A OE2.A no hydrogen 2.835 N/A ALA 194.A N ASP 123.A O no hydrogen 2.889 N/A GLU 195.A N TYR 186.A O no hydrogen 2.888 N/A ILE 196.A N PHE 236.A O no hydrogen 2.994 N/A ALA 197.A N MET 184.A O no hydrogen 2.809 N/A MET 198.A N THR 234.A O no hydrogen 3.097 N/A LYS 199.A NZ GLU 231.A OE2 no hydrogen 2.854 N/A THR 200.A N TYR 232.A O no hydrogen 2.892 N/A THR 200.A OG1 THR 234.A OG1 no hydrogen 2.751 N/A ALA 201.A N THR 204.A OG1 no hydrogen 3.126 N/A GLY 203.A N ILE 212.A O no hydrogen 2.871 N/A THR 204.A N ALA 201.A O no hydrogen 3.118 N/A THR 204.A OG1 LEU 170.A O no hydrogen 2.742 N/A THR 204.A OG1 ALA 201.A O no hydrogen 3.163 N/A THR 205.A N ASN 169.A O no hydrogen 2.750 N/A THR 205.A OG1 GLY 203.A O no hydrogen 3.463 N/A ASP 206.A N HIS 210.A O no hydrogen 2.873 N/A GLY 207.A N GLY 241.A O no hydrogen 2.810 N/A LYS 208.A N ASP 206.A OD1 no hydrogen 2.852 N/A GLY 209.A N ASP 206.A O no hydrogen 3.026 N/A HIS 210.A N ASP 206.A OD1 no hydrogen 3.043 N/A ILE 212.A N THR 204.A O no hydrogen 2.791 N/A ASP 214.A N ASP 202.A OD1 no hydrogen 2.836 N/A GLN 216.A N ASP 214.A OD1 no hydrogen 2.944 N/A ALA 217.A N ASP 214.A O no hydrogen 3.142 N/A PHE 219.A N ASN 173.A OD1 no hydrogen 2.772 N/A ARG 220.A N ASP 218.A OD1 no hydrogen 3.113 N/A ARG 220.A NE ASP 218.A OD1 no hydrogen 2.934 N/A ARG 220.A NH2 ASP 218.A OD2 no hydrogen 2.928 N/A ASN 221.A N ARG 225.A O no hydrogen 2.838 N/A GLN 223.A N ASN 221.A OD1 no hydrogen 2.938 N/A GLY 224.A N ASN 221.A O no hydrogen 2.999 N/A ARG 225.A N ASN 221.A OD1 no hydrogen 3.006 N/A ARG 225.A NE ASN 144.A O no hydrogen 3.205 N/A ARG 225.A NH1 ASP 147.A OD2 no hydrogen 2.787 N/A ARG 225.A NH2 ASN 144.A O no hydrogen 2.902 N/A ARG 225.A NH2 ASP 147.A OD2 no hydrogen 3.000 N/A TYR 232.A N THR 200.A O no hydrogen 2.958 N/A LEU 233.A N VAL 247.A O no hydrogen 2.803 N/A THR 234.A N MET 198.A O no hydrogen 3.004 N/A THR 234.A OG1 THR 200.A OG1 no hydrogen 2.751 N/A THR 234.A OG1 THR 246.A OG1 no hydrogen 2.850 N/A VAL 235.A N THR 245.A O no hydrogen 2.976 N/A PHE 236.A N ILE 196.A O no hydrogen 2.734 N/A LYS 237.A N GLU 242.A O.A no hydrogen 2.733 N/A LYS 237.A N GLU 242.A O.B no hydrogen 2.691 N/A LYS 237.A NZ GLU 239.A OE1.A no hydrogen 2.982 N/A THR 240.A OG1 GLU 242.A OE1.B no hydrogen 2.633 N/A THR 240.A OG1 GLU 242.A OE2.A no hydrogen 2.664 N/A GLY 241.A N LYS 237.A O no hydrogen 2.788 N/A GLU 242.A N.A THR 240.A OG1 no hydrogen 3.190 N/A GLU 242.A N.B THR 240.A OG1 no hydrogen 3.178 N/A ALA 243.A N ASP 206.A OD2 no hydrogen 2.906 N/A LEU 244.A N VAL 235.A O no hydrogen 2.770 N/A THR 245.A N VAL 235.A O no hydrogen 3.437 N/A THR 246.A OG1 THR 234.A OG1 no hydrogen 2.850 N/A VAL 247.A N LEU 233.A O no hydrogen 2.856 N/A TYR 249.A N GLU 231.A O no hydrogen 2.831 N/A ARG 253.A NH1 GLY 229.A O no hydrogen 2.754 N/A LYS 255.A NZ GLU 257.A OE1 no hydrogen 3.306 N/A ASP 258.A N LYS 255.A O no hydrogen 3.104 N/A TRP 259.A N LEU 256.A O no hydrogen 3.124 N/A TRP 259.A NE1 ARG 253.A O no hydrogen 2.831 N/A GLY 260.A N GLU 257.A O no hydrogen 2.994 N/A TYR 263.A N ASP 261.A OD1 no hydrogen 2.926 N/A ASN 265.A N ASP 261.A OD1 no hydrogen 2.960 N/A ARG 266.A N ASP 261.A OD2 no hydrogen 3.126 N/A ARG 266.A NH1 ASP 261.A OD2 no hydrogen 2.972 N/A ASP 268.A N GLY 264.A O no hydrogen 2.952 N/A ARG 269.A NE ASN 265.A O no hydrogen 2.790 N/A PHE 270.A N HIS 179.A O no hydrogen 3.122 N/A LEU 271.A N ALA 287.A O no hydrogen 3.094 N/A GLY 273.A N VAL 285.A O no hydrogen 2.890 N/A ALA 275.A N SER 283.A O no hydrogen 2.917 N/A TYR 276.A N ASP 341.A OD2 no hydrogen 2.775 N/A TYR 276.A OH GLN 5.A O no hydrogen 2.511 N/A TYR 276.A OH TYR 186.A OH no hydrogen 2.653 N/A GLY 279.A N TYR 276.A O no hydrogen 2.936 N/A GLU 280.A N ASP 278.A OD1 no hydrogen 2.868 N/A ARG 281.A N ASP 278.A OD1 no hydrogen 2.872 N/A ARG 281.A NH1.B ASP 189.A O no hydrogen 2.634 N/A ARG 281.A NH2.C ASP 189.A O no hydrogen 2.836 N/A SER 283.A N ALA 275.A O no hydrogen 2.715 N/A SER 283.A OG ASP 300.A OD1 no hydrogen 2.623 N/A LEU 284.A N TYR 299.A O no hydrogen 2.798 N/A VAL 285.A N GLY 273.A O no hydrogen 2.853 N/A MET 286.A N VAL 297.A O no hydrogen 2.928 N/A ALA 287.A N LEU 271.A O no hydrogen 2.870 N/A ARG 288.A N VAL 295.A O no hydrogen 2.845 N/A ARG 288.A NE MET 267.A O no hydrogen 2.882 N/A ARG 288.A NH1 GLU 231.A OE1 no hydrogen 2.849 N/A ARG 288.A NH1 GLU 231.A OE2 no hydrogen 3.431 N/A ARG 288.A NH1 PRO 251.A O no hydrogen 2.994 N/A ARG 288.A NH2 GLU 231.A OE2 no hydrogen 2.925 N/A ARG 288.A NH2 ASP 268.A OD1 no hydrogen 2.964 N/A GLY 289.A N ARG 269.A O no hydrogen 2.780 N/A TYR 290.A OH HIS 328.A ND1 no hydrogen 2.947 N/A THR 292.A OG1 TRP 259.A O no hydrogen 2.607 N/A ARG 293.A NE ASP 313.A OD1 no hydrogen 3.095 N/A ARG 293.A NH2 ASP 313.A OD2 no hydrogen 2.829 N/A THR 294.A N SER 314.A OG no hydrogen 2.850 N/A THR 294.A OG1 GLY 289.A O no hydrogen 3.513 N/A THR 294.A OG1 THR 292.A O no hydrogen 2.995 N/A VAL 295.A N ARG 288.A O no hydrogen 2.930 N/A LEU 296.A N PHE 312.A O no hydrogen 2.798 N/A VAL 297.A N MET 286.A O no hydrogen 2.855 N/A ALA 298.A N TRP 310.A O no hydrogen 2.939 N/A TYR 299.A N LEU 284.A O no hydrogen 2.746 N/A ASP 300.A N LYS 307.A O no hydrogen 2.906 N/A ARG 302.A N ARG 305.A O no hydrogen 2.988 N/A ARG 302.A NH2 PHE 301.A O no hydrogen 3.136 N/A ARG 305.A N ARG 302.A O no hydrogen 2.975 N/A LYS 307.A N ASP 300.A O no hydrogen 2.842 N/A LYS 308.A NZ GLU 250.A OE1.A no hydrogen 2.678 N/A LYS 308.A NZ GLU 250.A OE1.B no hydrogen 2.869 N/A LYS 308.A NZ GLU 250.A OE2.A no hydrogen 3.167 N/A LYS 308.A NZ GLU 250.A OE2.B no hydrogen 3.516 N/A ARG 309.A N ALA 298.A O no hydrogen 2.665 N/A ARG 309.A NH1 ASP 300.A OD1 no hydrogen 3.348 N/A ARG 309.A NH1 ASP 300.A OD2 no hydrogen 2.880 N/A TRP 310.A NE1 HIS 352.A O no hydrogen 3.001 N/A PHE 312.A N LEU 296.A O no hydrogen 2.809 N/A ASP 313.A N GLN 316.A OE1 no hydrogen 2.931 N/A SER 314.A N THR 294.A O no hydrogen 2.918 N/A ASN 315.A N ASP 313.A OD1 no hydrogen 3.019 N/A GLN 316.A N ASP 313.A O no hydrogen 2.907 N/A GLN 316.A NE2 VAL 311.A O.A no hydrogen 3.126 N/A GLN 316.A NE2 VAL 311.A O.B no hydrogen 2.917 N/A HIS 319.A N GLN 316.A O no hydrogen 3.020 N/A HIS 319.A ND1 GLN 316.A OE1 no hydrogen 2.903 N/A TYR 322.A N HIS 319.A O no hydrogen 3.000 N/A ALA 323.A N GLU 320.A O no hydrogen 3.276 N/A GLN 325.A NE2 ALA 323.A O no hydrogen 2.983 N/A ASN 327.A ND2 GLN 384.A OE1 no hydrogen 3.443 N/A HIS 328.A ND1 TYR 290.A OH no hydrogen 2.947 N/A SER 331.A N ILE 344.A O.A no hydrogen 2.907 N/A SER 331.A N ILE 344.A O.B no hydrogen 2.903 N/A ALA 333.A N GLU 342.A O no hydrogen 3.227 N/A VAL 335.A N GLU 342.A OE2 no hydrogen 2.893 N/A ASP 336.A N ASP 334.A OD1 no hydrogen 3.366 N/A GLY 337.A N ASP 334.A OD1 no hydrogen 2.999 N/A ASP 338.A N ASP 336.A OD1 no hydrogen 3.448 N/A GLY 339.A N ASP 334.A OD2 no hydrogen 2.787 N/A LYS 340.A N ASP 338.A OD1 no hydrogen 2.940 N/A ASP 341.A N TYR 276.A O no hydrogen 2.890 N/A GLU 342.A N ALA 333.A O no hydrogen 2.858 N/A ILE 343.A N VAL 350.A O no hydrogen 2.983 N/A ILE 344.A N.A SER 331.A O no hydrogen 2.828 N/A ILE 344.A N.B SER 331.A O no hydrogen 2.834 N/A TYR 345.A N MET 348.A O no hydrogen 2.811 N/A TYR 345.A OH GLY 289.A O no hydrogen 2.761 N/A ALA 347.A N GLN 325.A O no hydrogen 2.860 N/A MET 348.A N TYR 345.A O no hydrogen 3.295 N/A ALA 349.A N TYR 358.A O no hydrogen 2.830 N/A VAL 350.A N ILE 343.A O no hydrogen 2.890 N/A ASP 351.A N THR 355.A O no hydrogen 2.731 N/A HIS 352.A N ASP 351.A OD1 no hydrogen 2.886 N/A GLY 354.A N ASP 351.A O no hydrogen 3.003 N/A THR 355.A N ASP 353.A OD1 no hydrogen 3.137 N/A THR 355.A OG1 ASP 353.A OD1 no hydrogen 2.651 N/A LEU 357.A N ALA 349.A O no hydrogen 2.889 N/A TYR 358.A N ALA 349.A O no hydrogen 3.329 N/A TYR 358.A OH ALA 400.A O no hydrogen 2.874 N/A SER 359.A OG ALA 321.A O no hydrogen 2.734 N/A THR 360.A N ALA 347.A O no hydrogen 3.048 N/A THR 360.A OG1 ALA 347.A O no hydrogen 2.694 N/A LEU 362.A N THR 360.A OG1 no hydrogen 3.089 N/A GLY 363.A N GLN 325.A OE1 no hydrogen 2.877 N/A HIS 364.A N GLY 324.A O no hydrogen 2.967 N/A HIS 364.A ND1 GLY 326.A O no hydrogen 2.708 N/A GLY 365.A N ASN 327.A OD1 no hydrogen 2.874 N/A MET 368.A N GLN 579.A OE1 no hydrogen 3.424 N/A HIS 369.A N PHE 383.A O no hydrogen 2.808 N/A GLY 371.A N GLU 381.A O no hydrogen 3.247 N/A ASP 374.A N GLU 381.A OE1 no hydrogen 2.896 N/A SER 376.A N ASP 374.A OD1 no hydrogen 3.070 N/A SER 376.A OG ASP 374.A OD1 no hydrogen 2.681 N/A ARG 377.A N ASP 374.A O no hydrogen 3.085 N/A ARG 377.A NE.A GLU 381.A OE2 no hydrogen 2.800 N/A ARG 377.A NH1.A ASP 399.A OD2 no hydrogen 2.776 N/A ARG 377.A NH2.A LEU 380.A O no hydrogen 3.196 N/A ARG 377.A NH2.A GLU 381.A OE2 no hydrogen 3.085 N/A ARG 377.A NH2.B ASP 399.A OD2 no hydrogen 2.849 N/A ARG 377.A NH2.B GLU 404.A OE1 no hydrogen 3.421 N/A GLU 381.A N GLY 371.A O no hydrogen 2.878 N/A VAL 382.A N ARG 398.A O no hydrogen 2.845 N/A PHE 383.A N HIS 369.A O no hydrogen 2.917 N/A GLN 384.A N SER 396.A O no hydrogen 3.078 N/A VAL 385.A N ALA 367.A O no hydrogen 3.349 N/A HIS 386.A N GLY 394.A O no hydrogen 2.926 N/A HIS 386.A ND1 GLY 363.A O no hydrogen 2.940 N/A HIS 386.A NE2 SER 396.A OG no hydrogen 2.744 N/A GLU 387.A N HIS 364.A O no hydrogen 2.983 N/A THR 390.A N ASP 388.A OD1 no hydrogen 2.969 N/A THR 390.A OG1 ASP 388.A OD1 no hydrogen 2.730 N/A THR 390.A OG1 ASP 388.A OD2 no hydrogen 3.419 N/A LYS 391.A N ASP 388.A O no hydrogen 3.208 N/A LYS 391.A NZ GLY 361.A O no hydrogen 2.815 N/A GLY 394.A N VAL 409.A O no hydrogen 2.788 N/A LEU 395.A N.A VAL 409.A O no hydrogen 3.450 N/A LEU 395.A N.B VAL 409.A O no hydrogen 3.413 N/A SER 396.A N GLN 384.A O no hydrogen 2.976 N/A SER 396.A OG HIS 386.A NE2 no hydrogen 2.744 N/A LEU 397.A N TRP 407.A O no hydrogen 2.956 N/A ARG 398.A N VAL 382.A O no hydrogen 2.878 N/A ARG 398.A NE TYR 358.A OH no hydrogen 3.041 N/A ARG 398.A NH2 GLY 346.A O no hydrogen 2.759 N/A ARG 398.A NH2 TYR 358.A OH no hydrogen 3.330 N/A ASP 399.A N GLU 404.A O no hydrogen 2.878 N/A ALA 400.A N LEU 380.A O no hydrogen 2.991 N/A GLY 401.A N ASP 399.A OD1 no hydrogen 2.911 N/A THR 402.A N ASP 399.A OD1 no hydrogen 3.043 N/A GLY 403.A N ASP 399.A O no hydrogen 2.881 N/A GLU 404.A N THR 402.A OG1 no hydrogen 3.132 N/A LEU 406.A N LEU 397.A O no hydrogen 2.887 N/A TRP 407.A N LEU 397.A O no hydrogen 3.330 N/A TRP 407.A NE1 SER 450.A O no hydrogen 2.861 N/A VAL 409.A N LEU 395.A O.A no hydrogen 2.894 N/A VAL 409.A N LEU 395.A O.B no hydrogen 3.009 N/A VAL 415.A N HIS 386.A O no hydrogen 3.089 N/A ARG 417.A N ILE 435.A O no hydrogen 3.064 N/A ARG 417.A NH1 ALA 463.A O no hydrogen 3.307 N/A ARG 417.A NH2 THR 516.A O no hydrogen 2.827 N/A MET 419.A N TRP 433.A O no hydrogen 2.968 N/A ALA 421.A N LEU 431.A O no hydrogen 2.946 N/A HIS 422.A ND1 GLY 429.A O no hydrogen 2.803 N/A HIS 422.A NE2 THR 589.A OG1 no hydrogen 2.759 N/A SER 426.A N.A ASP 424.A OD1 no hydrogen 2.873 N/A SER 426.A N.B ASP 424.A OD1 no hydrogen 2.881 N/A SER 426.A OG.A ASP 424.A OD1 no hydrogen 2.709 N/A SER 426.A OG.A ASP 424.A OD2 no hydrogen 3.411 N/A SER 426.A OG.B ASP 424.A OD1 no hydrogen 3.377 N/A TYR 427.A N ASP 424.A O no hydrogen 3.046 N/A TYR 427.A OH SER 450.A OG no hydrogen 2.637 N/A GLY 429.A N TYR 586.A OH no hydrogen 3.104 N/A SER 430.A N LEU 373.A O no hydrogen 2.875 N/A LEU 431.A N ALA 421.A O no hydrogen 2.919 N/A VAL 432.A N PHE 448.A O no hydrogen 2.756 N/A TRP 433.A N MET 419.A O no hydrogen 2.986 N/A TRP 433.A NE1 SER 462.A O no hydrogen 2.860 N/A ILE 435.A N ARG 417.A O no hydrogen 2.978 N/A ASP 436.A N MET 443.A O no hydrogen 2.876 N/A MET 443.A N ASP 436.A OD2 no hydrogen 2.884 N/A SER 444.A OG ASP 457.A O no hydrogen 2.597 N/A TYR 445.A N GLY 434.A O no hydrogen 2.774 N/A TYR 445.A OH ASP 436.A OD1 no hydrogen 2.743 N/A GLY 446.A N SER 444.A OG no hydrogen 3.277 N/A LEU 447.A N SER 456.A O no hydrogen 2.870 N/A PHE 448.A N VAL 432.A O no hydrogen 2.852 N/A THR 449.A N GLU 453.A O no hydrogen 2.853 N/A SER 450.A OG LEU 373.A O no hydrogen 2.744 N/A SER 450.A OG TYR 427.A OH no hydrogen 2.637 N/A SER 450.A OG SER 430.A O no hydrogen 3.509 N/A LYS 451.A N THR 449.A OG1 no hydrogen 3.314 N/A LYS 451.A NZ SER 376.A OG no hydrogen 3.314 N/A GLY 452.A N THR 449.A O no hydrogen 2.889 N/A GLU 453.A N THR 449.A OG1 no hydrogen 3.182 N/A LYS 454.A NZ ASP 457.A OD1.A no hydrogen 2.970 N/A LYS 454.A NZ ASP 457.A OD1.B no hydrogen 2.477 N/A ILE 455.A N LEU 447.A O no hydrogen 2.760 N/A SER 456.A N LEU 447.A O no hydrogen 3.358 N/A SER 456.A OG.A LYS 458.A O no hydrogen 3.514 N/A SER 456.A OG.B LYS 458.A O no hydrogen 3.038 N/A LYS 458.A N SER 456.A OG.A no hydrogen 3.247 N/A LYS 458.A NZ.A ASP 457.A OD2.A no hydrogen 2.781 N/A ALA 459.A N SER 444.A OG no hydrogen 2.883 N/A ASN 464.A ND2 ASP 479.A OD2 no hydrogen 2.778 N/A ASN 464.A ND2 LYS 517.A O no hydrogen 2.983 N/A ASN 464.A ND2 GLY 518.A O no hydrogen 3.113 N/A PHE 465.A N LEU 478.A O no hydrogen 3.054 N/A ILE 467.A N GLU 476.A O no hydrogen 2.816 N/A TRP 468.A N GLU 532.A OE1 no hydrogen 2.858 N/A TRP 469.A N GLU 476.A OE1 no hydrogen 2.978 N/A ASP 470.A N GLU 476.A OE1 no hydrogen 3.093 N/A ASP 472.A N ASP 470.A OD2 no hydrogen 3.187 N/A ARG 475.A N HIS 422.A O no hydrogen 2.841 N/A ARG 475.A NH1 PRO 581.A O no hydrogen 2.912 N/A ARG 475.A NH2 GLU 532.A OE1 no hydrogen 2.937 N/A ARG 475.A NH2 GLU 532.A OE2 no hydrogen 3.383 N/A ARG 475.A NH2 PRO 581.A O no hydrogen 2.932 N/A GLU 476.A N ILE 467.A O no hydrogen 2.775 N/A LEU 477.A N GLU 492.A O no hydrogen 2.852 N/A LEU 478.A N PHE 465.A O no hydrogen 2.885 N/A ASP 479.A N LYS 490.A O no hydrogen 3.016 N/A ASP 481.A N ARG 488.A O no hydrogen 2.847 N/A ASP 483.A N ILE 486.A O no hydrogen 3.029 N/A THR 485.A N ASP 483.A OD2 no hydrogen 2.822 N/A ILE 486.A N ASP 483.A OD2 no hydrogen 2.870 N/A ARG 488.A N ASP 481.A O no hydrogen 2.967 N/A ARG 488.A NH1 VAL 510.A O no hydrogen 3.193 N/A ARG 488.A NH1 GLU 539.A OE2 no hydrogen 2.655 N/A ARG 488.A NH2 GLU 539.A OE2 no hydrogen 3.251 N/A LYS 490.A N ASP 479.A O no hydrogen 3.076 N/A LYS 490.A NZ ASP 481.A OD1 no hydrogen 2.970 N/A LYS 490.A NZ GLU 492.A OE1 no hydrogen 3.357 N/A LYS 490.A NZ GLU 492.A OE2 no hydrogen 2.995 N/A ILE 491.A N PHE 505.A O no hydrogen 2.828 N/A GLU 492.A N LEU 477.A O no hydrogen 2.679 N/A LYS 493.A N LYS 502.A O no hydrogen 2.775 N/A LYS 493.A NZ ASP 470.A OD1 no hydrogen 2.752 N/A LYS 493.A NZ ASP 472.A OD1 no hydrogen 2.779 N/A LYS 493.A NZ ASP 472.A OD2 no hydrogen 3.080 N/A LYS 493.A NZ GLU 476.A OE2 no hydrogen 2.774 N/A ASP 495.A N CYS 500.A O no hydrogen 2.803 N/A ASN 498.A N ASP 495.A OD1 no hydrogen 3.061 N/A GLY 499.A N ASP 495.A O no hydrogen 2.754 N/A CYS 500.A N ASP 495.A O no hydrogen 3.347 N/A CYS 500.A SG.A ASP 495.A OD2 no hydrogen 3.805 N/A LYS 502.A N LYS 493.A O no hydrogen 3.018 N/A LYS 502.A NZ THR 503.A O no hydrogen 3.131 N/A ILE 504.A N ILE 491.A O no hydrogen 2.873 N/A PHE 505.A N ILE 491.A O no hydrogen 3.221 N/A GLN 506.A NE2 ASP 481.A OD2 no hydrogen 3.186 N/A GLN 506.A NE2 ARG 488.A O no hydrogen 3.528 N/A GLN 506.A NE2 PRO 489.A O no hydrogen 3.307 N/A LEU 511.A N ARG 537.A O no hydrogen 3.065 N/A SER 512.A N GLY 487.A O no hydrogen 3.011 N/A ASN 513.A N ASN 519.A O no hydrogen 2.794 N/A ASN 513.A ND2 ALA 116.A O no hydrogen 3.314 N/A ASN 514.A ND2 ASP 118.A OD1 no hydrogen 3.083 N/A ASN 514.A ND2 ASN 519.A OD1 no hydrogen 2.867 N/A LYS 517.A N ASN 514.A O no hydrogen 3.165 N/A LYS 517.A NZ ASP 366.A OD1 no hydrogen 3.410 N/A GLY 518.A N GLY 515.A O no hydrogen 3.121 N/A ASN 519.A N ASN 513.A O no hydrogen 2.910 N/A LEU 522.A N ILE 535.A O no hydrogen 3.451 N/A GLN 523.A NE2 ALA 466.A O no hydrogen 2.781 N/A GLN 523.A NE2 GLU 532.A OE2 no hydrogen 2.984 N/A ALA 524.A N GLU 533.A O no hydrogen 3.006 N/A ASN 525.A N TYR 566.A OH no hydrogen 3.007 N/A LEU 526.A N GLU 533.A OE1 no hydrogen 2.796 N/A PHE 527.A N GLU 533.A OE1 no hydrogen 3.269 N/A GLY 528.A N GLY 12.A O no hydrogen 2.846 N/A ASP 529.A N SER 25.A OG no hydrogen 3.385 N/A TRP 530.A NE1 HIS 555.A O no hydrogen 2.961 N/A ARG 531.A N ASP 529.A OD1 no hydrogen 3.210 N/A ARG 531.A NE ASP 529.A OD1 no hydrogen 2.867 N/A ARG 531.A NE ASP 529.A OD2 no hydrogen 3.297 N/A ARG 531.A NH1 ASP 470.A O no hydrogen 3.039 N/A ARG 531.A NH1 HIS 551.A O no hydrogen 2.710 N/A ARG 531.A NH2 ASP 529.A OD1 no hydrogen 3.413 N/A ARG 531.A NH2 ASP 529.A OD2 no hydrogen 2.835 N/A ARG 531.A NH2 HIS 551.A O no hydrogen 2.912 N/A GLU 532.A N TRP 468.A O no hydrogen 2.913 N/A GLU 533.A N ALA 524.A O no hydrogen 2.852 N/A VAL 534.A N TYR 547.A O no hydrogen 3.099 N/A ILE 535.A N LEU 522.A O no hydrogen 2.747 N/A TRP 536.A N ARG 545.A O no hydrogen 3.085 N/A ARG 537.A NE ASN 513.A OD1 no hydrogen 2.737 N/A ARG 537.A NH2 SER 512.A O no hydrogen 2.899 N/A THR 538.A N ALA 543.A O no hydrogen 3.047 N/A THR 538.A OG1 ASP 540.A OD2 no hydrogen 2.992 N/A THR 538.A OG1 ALA 543.A O no hydrogen 3.338 N/A GLU 539.A N GLY 509.A O no hydrogen 2.975 N/A SER 541.A N THR 538.A O no hydrogen 2.948 N/A SER 542.A N ASP 540.A OD2 no hydrogen 2.952 N/A SER 542.A OG ASP 540.A OD2 no hydrogen 2.761 N/A ALA 543.A N THR 538.A OG1 no hydrogen 3.312 N/A LEU 544.A N VAL 96.A O no hydrogen 2.874 N/A ARG 545.A N TRP 536.A O no hydrogen 2.905 N/A ARG 545.A NE GLU 95.A OE2 no hydrogen 2.846 N/A ARG 545.A NH2 GLU 95.A OE2 no hydrogen 3.449 N/A ILE 546.A N LEU 94.A O no hydrogen 2.845 N/A TYR 547.A N VAL 534.A O no hydrogen 2.769 N/A THR 548.A N ASN 92.A O no hydrogen 3.080 N/A THR 548.A OG1 GLU 533.A OE2 no hydrogen 2.682 N/A THR 549.A OG1 TRP 469.A O no hydrogen 2.641 N/A THR 549.A OG1 HIS 551.A ND1 no hydrogen 3.336 N/A HIS 551.A N THR 549.A OG1 no hydrogen 3.100 N/A THR 553.A OG1 GLY 471.A O no hydrogen 2.732 N/A HIS 555.A N THR 553.A OG1 no hydrogen 3.143 N/A TYR 558.A OH GLU 34.A OE1 no hydrogen 3.105 N/A THR 559.A N PHE 28.A O no hydrogen 2.733 N/A HIS 562.A N THR 559.A O no hydrogen 2.918 N/A HIS 562.A NE2 GLU 7.A O no hydrogen 2.855 N/A ASP 563.A N LEU 560.A O no hydrogen 2.979 N/A VAL 565.A N ASP 563.A OD1 no hydrogen 3.080 N/A TYR 566.A N ASP 563.A OD1 no hydrogen 2.912 N/A TYR 566.A OH GLU 532.A OE2 no hydrogen 2.547 N/A ARG 567.A N ASP 563.A O no hydrogen 2.996 N/A ARG 567.A NE GLU 7.A OE1 no hydrogen 2.848 N/A ARG 567.A NE GLU 7.A OE2 no hydrogen 3.441 N/A ARG 567.A NH1 ARG 567.A O no hydrogen 2.949 N/A ARG 567.A NH2 GLU 7.A OE2 no hydrogen 2.820 N/A ARG 567.A NH2 VAL 121.A O no hydrogen 3.437 N/A GLY 569.A N VAL 565.A O no hydrogen 3.017 N/A ILE 570.A N TYR 566.A O no hydrogen 3.109 N/A ALA 571.A N ARG 567.A O no hydrogen 3.275 N/A TRP 572.A N LEU 568.A O no hydrogen 3.070 N/A GLN 573.A N ILE 570.A O no hydrogen 3.157 N/A THR 575.A N TRP 572.A O no hydrogen 2.915 N/A THR 575.A OG1 ALA 272.A O no hydrogen 2.989 N/A THR 575.A OG1 TRP 572.A O no hydrogen 3.333 N/A ALA 576.A N GLN 182.A OE1 no hydrogen 2.816 N/A TYR 577.A N HIS 328.A O no hydrogen 2.933 N/A ASN 578.A ND2 ASP 118.A OD1 no hydrogen 2.920 N/A GLN 579.A NE2 TYR 577.A O no hydrogen 3.129 N/A THR 583.A OG1 PHE 585.A O no hydrogen 2.792 N/A SER 584.A N ASP 563.A OD1 no hydrogen 2.948 N/A SER 584.A OG ASP 563.A OD2 no hydrogen 2.654 N/A TYR 586.A OH THR 589.A O no hydrogen 2.724 N/A THR 589.A N HIS 422.A NE2 no hydrogen 3.128 N/A THR 589.A OG1 HIS 422.A NE2 no hydrogen 2.759 N/A MET 591.A N GLY 588.A O no hydrogen 3.165 N/A TYR 600.A N ARG 4.A O no hydrogen 2.943 N/A ALA 602.A N MET 6.A O no hydrogen 2.950 N/A