Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wdd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH PRO 314.A O no hydrogen 2.601 N/A LEU 4.A N TYR 2.A O no hydrogen 3.017 N/A ASP 9.A N LEU 298.A O no hydrogen 2.800 N/A ALA 10.A N LEU 298.A O no hydrogen 3.352 N/A THR 11.A N LYS 105.A O no hydrogen 2.825 N/A THR 11.A OG1 ASP 297.A OD1 no hydrogen 2.593 N/A LEU 12.A N VAL 296.A O no hydrogen 2.813 N/A LEU 13.A N LEU 107.A O no hydrogen 2.799 N/A TYR 14.A N MET 294.A O no hydrogen 2.886 N/A PHE 15.A N LEU 109.A O no hydrogen 3.165 N/A SER 16.A N GLY 286.A O no hydrogen 3.260 N/A SER 16.A OG ASP 17.A OD2 no hydrogen 2.769 N/A ASP 17.A N GLY 112.A O no hydrogen 2.802 N/A HIS 19.A N ASP 113.A O no hydrogen 2.680 N/A HIS 19.A ND1 ASN 117.A OD1 no hydrogen 2.793 N/A GLY 20.A N THR 114.A O no hydrogen 2.919 N/A GLN 21.A N LEU 18.A O no hydrogen 3.168 N/A GLN 21.A NE2 HIS 19.A O no hydrogen 3.152 N/A GLN 21.A NE2 ASN 117.A O no hydrogen 3.253 N/A HIS 25.A N ILE 82.A O no hydrogen 2.843 N/A HIS 25.A ND1 THR 389.A OG1 no hydrogen 2.752 N/A HIS 25.A NE2 ALA 289.A O no hydrogen 2.920 N/A MET 28.A N THR 390.A OG1 no hydrogen 2.908 N/A ASN 32.A ND2 ASP 356.A OD1 no hydrogen 2.770 N/A ASN 32.A ND2 ARG 537.A O no hydrogen 2.861 N/A ILE 34.A N THR 357.A OG1 no hydrogen 2.854 N/A LYS 37.A N ASP 460.A OD1 no hydrogen 2.885 N/A LEU 39.A N PRO 36.A O no hydrogen 3.009 N/A MET 40.A N LYS 37.A O no hydrogen 3.131 N/A ARG 42.A NE.B GLN 248.A OE1 no hydrogen 2.915 N/A ARG 42.A NH1.B GLN 248.A OE1 no hydrogen 3.031 N/A TYR 45.A N ARG 42.A O no hydrogen 2.862 N/A THR 47.A OG1 PRO 31.A O no hydrogen 3.503 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.771 N/A ILE 51.A N THR 47.A O no hydrogen 3.107 N/A ARG 53.A N GLU 49.A O no hydrogen 3.000 N/A TYR 54.A N ALA 50.A O no hydrogen 2.877 N/A TYR 55.A N ILE 51.A O no hydrogen 3.273 N/A GLY 56.A N ARG 53.A O no hydrogen 3.126 N/A VAL 57.A N LEU 52.A O no hydrogen 2.914 N/A ARG 59.A NE ASP 71.A OD2 no hydrogen 2.826 N/A ARG 59.A NH2 ASP 71.A OD1 no hydrogen 2.877 N/A THR 61.A N GLU 58.A O no hydrogen 3.426 N/A THR 61.A OG1 GLU 58.A O no hydrogen 2.699 N/A ALA 64.A N THR 61.A OG1 no hydrogen 3.115 N/A TYR 65.A N THR 61.A O no hydrogen 2.933 N/A TYR 65.A OH GLY 80.A O no hydrogen 2.700 N/A LEU 66.A N PRO 62.A O no hydrogen 3.185 N/A LEU 67.A N LEU 63.A O no hydrogen 2.863 N/A SER 68.A N ALA 64.A O no hydrogen 3.126 N/A SER 68.A OG GLY 48.A O no hydrogen 2.901 N/A VAL 70.A N SER 68.A OG no hydrogen 3.089 N/A PHE 72.A N TYR 69.A O no hydrogen 3.014 N/A LEU 75.A N ASP 71.A O no hydrogen 2.907 N/A ALA 76.A N PHE 72.A O no hydrogen 2.797 N/A ARG 77.A N VAL 73.A O no hydrogen 2.999 N/A ARG 77.A NE GLY 543.A OXT no hydrogen 2.907 N/A ARG 77.A NH2 PRO 393.A O no hydrogen 2.863 N/A ARG 77.A NH2 GLY 543.A O no hydrogen 2.783 N/A ARG 77.A NH2 GLY 543.A OXT no hydrogen 3.567 N/A THR 78.A N GLU 74.A O no hydrogen 3.043 N/A THR 78.A OG1 GLU 74.A O no hydrogen 2.868 N/A PHE 79.A N LEU 75.A O no hydrogen 2.887 N/A GLY 80.A N ALA 76.A O no hydrogen 3.020 N/A ILE 82.A N HIS 25.A O no hydrogen 2.715 N/A GLY 83.A N VAL 315.A O no hydrogen 2.946 N/A MET 85.A N ALA 22.A O no hydrogen 2.920 N/A LEU 88.A N GLY 84.A O no hydrogen 3.016 N/A THR 89.A N MET 85.A O no hydrogen 2.918 N/A THR 89.A OG1 MET 85.A O no hydrogen 2.674 N/A ALA 90.A N GLY 86.A O no hydrogen 2.930 N/A LEU 91.A N ALA 87.A O no hydrogen 2.922 N/A ILE 92.A N LEU 88.A O no hydrogen 2.913 N/A ARG 93.A N THR 89.A O no hydrogen 2.884 N/A ARG 93.A NH1 ASP 325.A OD1 no hydrogen 2.874 N/A ARG 93.A NH1 ASP 325.A OD2 no hydrogen 3.459 N/A ARG 93.A NH2 LEU 135.A O no hydrogen 3.019 N/A ARG 93.A NH2 ASP 325.A OD1 no hydrogen 3.537 N/A ARG 93.A NH2 ASP 325.A OD2 no hydrogen 2.773 N/A ASP 94.A N ALA 90.A O no hydrogen 2.910 N/A GLN 95.A N LEU 91.A O no hydrogen 2.970 N/A GLN 95.A NE2 TYR 2.A O no hydrogen 2.985 N/A GLN 95.A NE2 ASP 94.A OD2 no hydrogen 2.925 N/A LYS 96.A N ILE 92.A O no hydrogen 2.867 N/A ALA 97.A N ARG 93.A O no hydrogen 2.922 N/A ARG 98.A N ASP 94.A O no hydrogen 3.044 N/A ARG 98.A NE.A ASP 94.A OD1 no hydrogen 3.334 N/A ARG 98.A NE.A ASP 94.A OD2 no hydrogen 2.675 N/A ARG 98.A NH1.A ASP 3.A OD1.A no hydrogen 2.837 N/A ARG 98.A NH1.A ASP 3.A OD1.B no hydrogen 3.175 N/A ARG 98.A NH1.B ASP 3.A OD1.B no hydrogen 3.569 N/A ARG 98.A NH1.B ASP 94.A OD1 no hydrogen 3.566 N/A ARG 98.A NH1.B ASP 94.A OD2 no hydrogen 3.319 N/A ARG 98.A NH2.A ASP 3.A OD1.B no hydrogen 3.017 N/A ARG 98.A NH2.A ASP 94.A OD1 no hydrogen 3.354 N/A VAL 99.A N GLN 95.A O no hydrogen 2.979 N/A GLU 100.A N LYS 96.A O no hydrogen 2.940 N/A ALA 101.A N ALA 97.A O no hydrogen 2.869 N/A GLU 102.A N ARG 98.A O no hydrogen 3.227 N/A GLU 102.A N VAL 99.A O no hydrogen 3.203 N/A GLY 103.A N GLU 100.A O no hydrogen 2.935 N/A GLY 104.A N VAL 99.A O no hydrogen 2.768 N/A LEU 107.A N THR 11.A O no hydrogen 2.939 N/A VAL 108.A N ASP 139.A OD2 no hydrogen 2.808 N/A LEU 109.A N LEU 13.A O no hydrogen 2.857 N/A ASP 110.A N HIS 140.A O no hydrogen 2.946 N/A GLY 111.A N PHE 15.A O no hydrogen 2.863 N/A GLY 112.A N ASP 110.A OD1 no hydrogen 3.023 N/A ASP 113.A N GLU 146.A OE1 no hydrogen 3.073 N/A THR 114.A N GLU 146.A OE2 no hydrogen 2.671 N/A THR 114.A OG1 ASP 110.A OD1 no hydrogen 2.765 N/A THR 114.A OG1 ASP 110.A OD2 no hydrogen 2.763 N/A TRP 115.A N GLU 146.A OE2 no hydrogen 3.121 N/A TRP 115.A NE1 GLN 133.A OE1 no hydrogen 2.770 N/A THR 116.A OG1 ASN 117.A OD1 no hydrogen 2.822 N/A ASN 117.A ND2 GLY 407.A O no hydrogen 3.072 N/A SER 118.A OG GLY 20.A O no hydrogen 2.663 N/A SER 121.A N SER 118.A OG no hydrogen 3.064 N/A SER 121.A OG TRP 115.A O no hydrogen 2.489 N/A LEU 122.A N SER 118.A O no hydrogen 2.949 N/A LEU 123.A N GLY 119.A O no hydrogen 2.927 N/A THR 124.A N SER 121.A O no hydrogen 3.170 N/A THR 124.A OG1 LEU 120.A O no hydrogen 2.823 N/A GLY 126.A N SER 121.A O no hydrogen 2.870 N/A GLU 127.A N THR 124.A O no hydrogen 2.952 N/A ALA 128.A N THR 124.A OG1 no hydrogen 3.040 N/A VAL 130.A N GLY 126.A O no hydrogen 3.310 N/A ARG 131.A N GLU 127.A O no hydrogen 2.972 N/A ARG 131.A NE GLU 127.A OE2 no hydrogen 2.842 N/A ARG 131.A NH2 GLU 127.A OE2 no hydrogen 2.952 N/A TRP 132.A N ALA 128.A O no hydrogen 3.006 N/A TRP 132.A NE1 THR 89.A OG1 no hydrogen 2.721 N/A GLN 133.A N VAL 129.A O no hydrogen 2.931 N/A GLN 133.A NE2 ASP 110.A OD2 no hydrogen 2.817 N/A ASN 134.A N VAL 130.A O no hydrogen 2.982 N/A ASN 134.A ND2 LEU 160.A O no hydrogen 2.918 N/A LEU 135.A N ARG 131.A O no hydrogen 3.078 N/A VAL 136.A N TRP 132.A O no hydrogen 3.010 N/A GLY 137.A N GLN 133.A O no hydrogen 2.759 N/A VAL 138.A N GLN 133.A O no hydrogen 3.272 N/A ASP 139.A N VAL 108.A O no hydrogen 2.861 N/A HIS 140.A ND1 GLU 164.A O no hydrogen 2.904 N/A HIS 140.A NE2 HIS 186.A NE2 no hydrogen 2.743 N/A VAL 142.A N ASP 110.A O no hydrogen 3.343 N/A SER 143.A N SER 199.A OG no hydrogen 3.070 N/A SER 143.A OG SER 199.A OG no hydrogen 2.738 N/A HIS 144.A N GLU 146.A OE1 no hydrogen 2.971 N/A HIS 144.A NE2 HIS 207.A NE2 no hydrogen 2.796 N/A TRP 145.A N ASP 113.A OD1 no hydrogen 2.710 N/A TRP 147.A N HIS 144.A O no hydrogen 3.184 N/A TRP 147.A NE1 SER 143.A OG no hydrogen 2.808 N/A THR 148.A N TRP 145.A O no hydrogen 2.886 N/A THR 148.A OG1 TRP 145.A O no hydrogen 2.751 N/A LEU 149.A N GLU 146.A O no hydrogen 3.096 N/A GLY 150.A N TRP 147.A O no hydrogen 2.993 N/A ARG 151.A N PHE 211.A O no hydrogen 3.173 N/A ARG 151.A NE.A GLU 155.A OE1 no hydrogen 2.726 N/A ARG 151.A NH1.B GLU 213.A O no hydrogen 2.841 N/A ARG 153.A NE ARG 125.A O no hydrogen 2.942 N/A ARG 153.A NH1 GLU 156.A OE1.A no hydrogen 3.235 N/A ARG 153.A NH1 GLU 156.A OE2.B no hydrogen 2.624 N/A ARG 153.A NH2 THR 124.A O no hydrogen 2.887 N/A ARG 153.A NH2 ARG 125.A O no hydrogen 3.470 N/A VAL 154.A N GLY 150.A O no hydrogen 3.057 N/A GLU 155.A N ARG 151.A O no hydrogen 3.006 N/A GLU 156.A N GLU 152.A O no hydrogen 3.099 N/A LEU 157.A N ARG 153.A O no hydrogen 2.840 N/A LEU 158.A N VAL 154.A O no hydrogen 2.820 N/A GLY 159.A N GLU 155.A O no hydrogen 3.207 N/A GLY 159.A N GLU 156.A O no hydrogen 3.069 N/A PHE 161.A N LEU 157.A O no hydrogen 2.845 N/A ARG 162.A N ASN 134.A OD1 no hydrogen 2.897 N/A GLU 164.A N ASP 139.A O no hydrogen 2.866 N/A LEU 166.A N MET 141.A O no hydrogen 3.168 N/A SER 167.A N PRO 181.A O no hydrogen 2.899 N/A SER 167.A OG LEU 166.A O no hydrogen 2.515 N/A SER 167.A OG SER 199.A OG no hydrogen 2.617 N/A TYR 168.A N GLY 197.A O no hydrogen 2.918 N/A ASN 169.A ND2 SER 199.A O no hydrogen 2.865 N/A ASN 169.A ND2 PHE 217.A O no hydrogen 2.912 N/A VAL 171.A N SER 216.A O no hydrogen 2.933 N/A ASP 172.A N ASP 177.A O no hydrogen 2.992 N/A ASP 173.A N GLY 214.A O no hydrogen 2.919 N/A LEU 174.A N ASP 172.A OD2 no hydrogen 2.897 N/A PHE 175.A N ASP 172.A OD2 no hydrogen 2.820 N/A GLY 176.A N ASP 172.A O no hydrogen 2.960 N/A LEU 179.A N ILE 170.A O no hydrogen 3.018 N/A TYR 183.A OH GLU 234.A OE1 no hydrogen 2.668 N/A ARG 184.A N VAL 195.A O no hydrogen 2.973 N/A ARG 184.A NE.A GLU 164.A OE1 no hydrogen 3.334 N/A ARG 184.A NE.A GLU 164.A OE2 no hydrogen 2.843 N/A ARG 184.A NE.B ILE 185.A O no hydrogen 3.448 N/A ARG 184.A NH2.A GLU 164.A OE1 no hydrogen 2.702 N/A HIS 186.A N LEU 193.A O no hydrogen 2.783 N/A HIS 186.A NE2 HIS 140.A NE2 no hydrogen 2.743 N/A VAL 188.A N TYR 191.A O no hydrogen 2.994 N/A TYR 191.A N VAL 188.A O no hydrogen 3.095 N/A ALA 192.A N ASN 237.A OD1 no hydrogen 2.761 N/A LEU 193.A N HIS 186.A O no hydrogen 2.895 N/A ALA 194.A N ALA 238.A O no hydrogen 2.948 N/A VAL 195.A N ARG 184.A O no hydrogen 2.926 N/A VAL 196.A N VAL 240.A O no hydrogen 2.766 N/A GLY 197.A N ALA 182.A O no hydrogen 2.896 N/A ALA 198.A N LEU 242.A O no hydrogen 2.982 N/A SER 199.A N ASN 169.A OD1 no hydrogen 2.960 N/A SER 199.A OG SER 143.A O no hydrogen 3.374 N/A SER 199.A OG SER 143.A OG no hydrogen 2.738 N/A SER 199.A OG SER 167.A OG no hydrogen 2.617 N/A TYR 200.A N SER 143.A O no hydrogen 3.040 N/A TYR 200.A OH GLN 443.A O.B no hydrogen 2.847 N/A LYS 204.A NZ THR 212.A OG1 no hydrogen 3.098 N/A LYS 204.A NZ LEU 215.A O no hydrogen 2.996 N/A SER 206.A N TYR 202.A O no hydrogen 3.172 N/A SER 206.A N VAL 203.A O no hydrogen 3.312 N/A SER 206.A OG TYR 202.A O no hydrogen 2.801 N/A HIS 207.A ND1 TYR 410.A OH no hydrogen 2.778 N/A HIS 207.A NE2 HIS 144.A NE2 no hydrogen 2.796 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.696 N/A PHE 211.A N PRO 208.A O no hydrogen 3.151 N/A THR 212.A N GLU 209.A O no hydrogen 3.155 N/A LEU 215.A N THR 212.A O no hydrogen 2.974 N/A SER 216.A N VAL 171.A O no hydrogen 2.846 N/A ASP 220.A N TYR 168.A OH no hydrogen 3.324 N/A ARG 222.A NE GLU 226.A OE2.A no hydrogen 3.164 N/A ARG 223.A N ASP 220.A OD1 no hydrogen 3.260 N/A LEU 224.A N ASP 220.A O no hydrogen 2.946 N/A GLN 225.A N GLU 221.A O no hydrogen 2.838 N/A GLN 225.A NE2 GLN 225.A O no hydrogen 3.134 N/A GLN 225.A NE2 ARG 258.A O no hydrogen 2.956 N/A GLU 226.A N ARG 222.A O no hydrogen 2.876 N/A ALA 227.A N ARG 223.A O no hydrogen 3.005 N/A VAL 228.A N LEU 224.A O no hydrogen 2.996 N/A ASP 229.A N GLN 225.A O no hydrogen 2.914 N/A LYS 230.A N GLU 226.A O no hydrogen 2.764 N/A ALA 231.A N ALA 227.A O no hydrogen 2.984 N/A ARG 232.A N VAL 228.A O no hydrogen 3.186 N/A ARG 232.A NE GLY 259.A O no hydrogen 3.434 N/A ARG 232.A NH1 ASN 237.A O no hydrogen 2.988 N/A ARG 232.A NH2 GLY 259.A O no hydrogen 2.880 N/A ARG 232.A NH2 ASP 261.A OD2 no hydrogen 2.672 N/A ALA 233.A N ASP 229.A O no hydrogen 2.850 N/A GLU 234.A N LYS 230.A O no hydrogen 2.898 N/A GLU 234.A N ALA 231.A O no hydrogen 3.234 N/A GLY 235.A N ARG 232.A O no hydrogen 3.027 N/A ALA 236.A N ALA 231.A O no hydrogen 2.961 N/A ASN 237.A N ALA 192.A O no hydrogen 2.697 N/A ASN 237.A ND2 LYS 302.A O no hydrogen 2.949 N/A ALA 238.A N ALA 192.A O no hydrogen 3.384 N/A VAL 239.A N ASP 261.A OD2 no hydrogen 2.803 N/A VAL 240.A N ALA 194.A O no hydrogen 2.805 N/A LEU 241.A N LEU 262.A O no hydrogen 2.820 N/A LEU 242.A N VAL 196.A O no hydrogen 2.710 N/A SER 243.A N LEU 264.A O no hydrogen 2.888 N/A SER 243.A OG ASP 250.A OD1 no hydrogen 2.601 N/A SER 243.A OG ASP 250.A OD2 no hydrogen 3.206 N/A HIS 244.A N ALA 198.A O no hydrogen 2.859 N/A HIS 244.A ND1 GLY 111.A O no hydrogen 2.781 N/A ASN 245.A N SER 243.A OG no hydrogen 3.052 N/A ASN 245.A ND2 ASP 250.A OD1 no hydrogen 3.084 N/A MET 247.A N THR 268.A OG1 no hydrogen 2.995 N/A GLN 248.A NE2 PRO 43.A O no hydrogen 2.932 N/A ASP 250.A N GLY 246.A O no hydrogen 2.940 N/A ALA 251.A N MET 247.A O no hydrogen 2.913 N/A ALA 252.A N GLN 248.A O no hydrogen 3.039 N/A LEU 253.A N LEU 249.A O no hydrogen 2.954 N/A ALA 254.A N ASP 250.A O no hydrogen 2.945 N/A GLU 255.A N ALA 252.A O no hydrogen 3.157 N/A ARG 256.A N LEU 253.A O no hydrogen 2.907 N/A ARG 256.A NE.B GLU 221.A OE1 no hydrogen 3.261 N/A ARG 256.A NE.B GLU 221.A OE2 no hydrogen 2.477 N/A ARG 256.A NH1.A PHE 440.A O.A no hydrogen 3.304 N/A ARG 256.A NH2.B GLU 221.A OE1 no hydrogen 2.746 N/A ILE 257.A N LEU 253.A O no hydrogen 2.724 N/A ARG 258.A N GLN 225.A OE1 no hydrogen 2.793 N/A ARG 258.A NH1 ASP 229.A OD2 no hydrogen 3.005 N/A ARG 258.A NH2 ASP 229.A OD1 no hydrogen 3.377 N/A ASP 261.A N VAL 239.A O no hydrogen 2.936 N/A LEU 262.A N VAL 239.A O no hydrogen 3.291 N/A ILE 263.A N TRP 282.A O no hydrogen 2.838 N/A LEU 264.A N LEU 241.A O no hydrogen 2.882 N/A SER 265.A N VAL 284.A O no hydrogen 2.805 N/A SER 265.A OG.A ASP 250.A OD2 no hydrogen 2.600 N/A SER 265.A OG.B ASP 250.A OD2 no hydrogen 2.552 N/A GLY 266.A N SER 243.A O no hydrogen 2.916 N/A HIS 267.A N ASP 17.A OD2 no hydrogen 2.874 N/A HIS 267.A ND1 HIS 244.A NE2 no hydrogen 3.241 N/A HIS 267.A NE2 GLN 443.A O.B no hydrogen 3.079 N/A THR 268.A N GLY 266.A O no hydrogen 2.937 N/A THR 268.A OG1 ASP 270.A OD2 no hydrogen 2.677 N/A ARG 274.A NE TYR 55.A O no hydrogen 3.361 N/A ARG 274.A NH2 TYR 55.A O no hydrogen 3.544 N/A TRP 276.A N ILE 283.A O no hydrogen 2.868 N/A VAL 278.A N THR 281.A O no hydrogen 2.920 N/A THR 281.A N VAL 278.A O no hydrogen 2.844 N/A THR 281.A OG1 ILE 260.A O no hydrogen 2.693 N/A TRP 282.A N ASP 261.A O no hydrogen 3.102 N/A ILE 283.A N TRP 276.A O no hydrogen 2.815 N/A VAL 284.A N ILE 263.A O no hydrogen 2.885 N/A ALA 285.A N THR 272.A OG1 no hydrogen 2.851 N/A GLY 286.A N SER 265.A O no hydrogen 2.912 N/A SER 287.A N ASP 270.A O no hydrogen 2.815 N/A ALA 289.A N ASP 17.A O no hydrogen 2.810 N/A LYS 291.A N ALA 288.A O no hydrogen 3.027 N/A LYS 291.A NZ PHE 27.A O.A no hydrogen 2.912 N/A LYS 291.A NZ PHE 27.A O.B no hydrogen 2.922 N/A LYS 291.A NZ GLU 29.A OE2 no hydrogen 2.645 N/A LYS 291.A NZ LEU 66.A O no hydrogen 2.752 N/A LEU 293.A N LEU 313.A O no hydrogen 2.976 N/A MET 294.A N TYR 14.A O no hydrogen 2.825 N/A ARG 295.A N ARG 311.A O no hydrogen 2.866 N/A ARG 295.A NE ASP 297.A OD1 no hydrogen 2.921 N/A ARG 295.A NE ASP 297.A OD2 no hydrogen 3.188 N/A ARG 295.A NH1 GLN 95.A OE1 no hydrogen 2.848 N/A ARG 295.A NH2 ASP 297.A OD1 no hydrogen 3.353 N/A VAL 296.A N LEU 12.A O no hydrogen 2.853 N/A ASP 297.A N ARG 309.A O no hydrogen 2.857 N/A LEU 298.A N ALA 10.A O no hydrogen 2.798 N/A LYS 299.A N ASN 307.A O no hydrogen 2.883 N/A LEU 300.A N ASP 9.A OD2 no hydrogen 2.913 N/A TRP 301.A N GLY 304.A O no hydrogen 2.962 N/A GLY 304.A N TRP 301.A O no hydrogen 3.165 N/A ALA 306.A N LYS 299.A O no hydrogen 2.764 N/A ASN 307.A N LYS 299.A O no hydrogen 3.304 N/A LEU 308.A N ASN 307.A OD1 no hydrogen 2.900 N/A ARG 309.A N ASP 297.A O no hydrogen 2.896 N/A ARG 309.A NE ASP 297.A OD2 no hydrogen 2.914 N/A ARG 309.A NH1 PRO 5.A O no hydrogen 2.859 N/A ARG 309.A NH2 PRO 5.A O no hydrogen 2.848 N/A ARG 309.A NH2 ASP 297.A OD2 no hydrogen 2.653 N/A ARG 311.A N ARG 295.A O no hydrogen 2.931 N/A ARG 311.A NH1 VAL 310.A O no hydrogen 2.814 N/A LEU 313.A N LEU 293.A O no hydrogen 2.821 N/A VAL 315.A N LYS 291.A O no hydrogen 2.912 N/A HIS 319.A N LEU 316.A O no hydrogen 2.818 N/A VAL 326.A N ASP 325.A OD1 no hydrogen 2.924 N/A GLU 327.A N ALA 323.A O no hydrogen 3.038 N/A ALA 328.A N GLU 324.A O no hydrogen 2.974 N/A PHE 329.A N ASP 325.A O no hydrogen 2.914 N/A LEU 330.A N VAL 326.A O no hydrogen 2.902 N/A LYS 331.A N GLU 327.A O no hydrogen 3.022 N/A ALA 332.A N ALA 328.A O no hydrogen 2.879 N/A GLN 333.A N PHE 329.A O no hydrogen 2.935 N/A LEU 334.A N LEU 330.A O no hydrogen 2.956 N/A ALA 335.A N LYS 331.A O no hydrogen 2.933 N/A HIS 337.A N LEU 334.A O no hydrogen 2.781 N/A GLN 338.A N ALA 335.A O no hydrogen 3.491 N/A GLN 338.A NE2 ALA 335.A O no hydrogen 2.975 N/A HIS 340.A NE2 TYR 403.A OH no hydrogen 2.658 N/A LEU 341.A N HIS 337.A O no hydrogen 2.860 N/A PHE 342.A N GLN 338.A O no hydrogen 2.942 N/A THR 343.A N ASP 339.A O no hydrogen 3.336 N/A THR 343.A OG1 ASP 339.A O no hydrogen 2.654 N/A LEU 345.A N ILE 397.A O no hydrogen 2.779 N/A VAL 347.A N GLY 519.A O no hydrogen 2.958 N/A SER 348.A N GLN 395.A O no hydrogen 2.936 N/A SER 348.A OG THR 350.A O no hydrogen 2.707 N/A GLU 349.A N VAL 521.A O no hydrogen 2.836 N/A THR 350.A OG1 VAL 523.A O no hydrogen 3.457 N/A LEU 351.A N VAL 541.A O no hydrogen 2.943 N/A LEU 352.A N ILE 391.A O no hydrogen 2.909 N/A TYR 353.A N THR 361.A OG1 no hydrogen 3.049 N/A LYS 354.A NZ ASP 363.A OD1 no hydrogen 2.736 N/A LYS 354.A NZ ASP 363.A OD2 no hydrogen 3.537 N/A LYS 354.A NZ PRO 383.A O no hydrogen 2.878 N/A ARG 355.A NH1.A ASP 446.A OD2.A no hydrogen 3.208 N/A ARG 355.A NH1.A ASP 446.A OD2.B no hydrogen 3.310 N/A ARG 355.A NH2.B GLU 29.A OE2 no hydrogen 2.949 N/A THR 357.A N ASN 32.A O no hydrogen 3.127 N/A THR 357.A OG1 ASN 32.A O no hydrogen 3.159 N/A LEU 358.A N ASP 356.A OD2 no hydrogen 2.872 N/A TYR 359.A N ASP 356.A OD2 no hydrogen 2.901 N/A TYR 359.A OH GLN 364.A OE1 no hydrogen 2.591 N/A SER 360.A OG TYR 353.A O no hydrogen 3.167 N/A SER 360.A OG ASP 363.A OD2 no hydrogen 2.656 N/A THR 361.A OG1 LEU 351.A O no hydrogen 2.907 N/A TRP 362.A N TYR 353.A O no hydrogen 2.987 N/A ASP 363.A N SER 360.A OG no hydrogen 2.942 N/A GLN 364.A N SER 360.A O no hydrogen 3.091 N/A GLN 364.A NE2 GLU 368.A OE2 no hydrogen 2.837 N/A LEU 365.A N THR 361.A O no hydrogen 2.968 N/A VAL 366.A N TRP 362.A O no hydrogen 3.048 N/A GLY 367.A N ASP 363.A O no hydrogen 3.000 N/A GLU 368.A N GLN 364.A O no hydrogen 2.851 N/A ALA 369.A N LEU 365.A O no hydrogen 2.834 N/A VAL 370.A N VAL 366.A O no hydrogen 2.913 N/A LYS 371.A N GLY 367.A O no hydrogen 3.046 N/A LYS 371.A NZ GLU 378.A O no hydrogen 2.939 N/A ALA 372.A N GLU 368.A O no hydrogen 2.879 N/A ILE 373.A N ALA 369.A O no hydrogen 3.070 N/A TYR 374.A N VAL 370.A O no hydrogen 2.756 N/A GLU 376.A N GLU 376.A OE2 no hydrogen 2.867 N/A VAL 377.A N TYR 374.A O no hydrogen 2.993 N/A GLU 378.A N LEU 484.A O no hydrogen 2.831 N/A VAL 379.A N LEU 484.A O no hydrogen 3.287 N/A VAL 380.A N PHE 451.A O no hydrogen 2.876 N/A PHE 381.A N ALA 486.A O no hydrogen 2.750 N/A SER 382.A N ARG 449.A O no hydrogen 2.793 N/A ARG 386.A NE.B ASP 446.A OD2.A no hydrogen 2.622 N/A ARG 386.A NE.B ASP 446.A OD2.B no hydrogen 2.990 N/A ARG 386.A NH1.B ASP 446.A OD1.A no hydrogen 3.135 N/A ARG 386.A NH1.B ASP 446.A OD1.B no hydrogen 2.740 N/A ARG 386.A NH2.B THR 268.A O no hydrogen 3.003 N/A THR 389.A OG1 HIS 25.A ND1 no hydrogen 2.752 N/A THR 389.A OG1 TYR 26.A O no hydrogen 3.216 N/A THR 390.A N TYR 26.A O no hydrogen 2.787 N/A ILE 391.A N LEU 352.A O no hydrogen 2.914 N/A LEU 392.A N GLN 395.A OE1 no hydrogen 2.888 N/A GLY 394.A N SER 348.A O no hydrogen 2.645 N/A GLN 395.A N LEU 392.A O no hydrogen 2.960 N/A ILE 397.A N ALA 346.A O no hydrogen 2.743 N/A THR 398.A N HIS 401.A ND1 no hydrogen 2.944 N/A THR 398.A OG1 LEU 341.A O no hydrogen 3.303 N/A THR 398.A OG1 HIS 401.A ND1 no hydrogen 3.217 N/A ASP 400.A N LEU 341.A O no hydrogen 3.015 N/A HIS 401.A N THR 398.A OG1 no hydrogen 3.320 N/A LEU 402.A N THR 398.A O no hydrogen 3.016 N/A TYR 403.A N TRP 399.A O no hydrogen 2.898 N/A TYR 403.A OH HIS 340.A NE2 no hydrogen 2.658 N/A ALA 404.A N ASP 400.A O no hydrogen 2.943 N/A TYR 405.A N HIS 401.A O no hydrogen 2.910 N/A TYR 405.A OH THR 389.A O no hydrogen 2.823 N/A THR 406.A N LEU 402.A O no hydrogen 2.737 N/A THR 406.A OG1 LEU 402.A O no hydrogen 2.713 N/A PHE 408.A N THR 406.A O no hydrogen 2.791 N/A THR 409.A OG1 THR 148.A O no hydrogen 2.729 N/A TYR 410.A OH HIS 207.A ND1 no hydrogen 2.778 N/A GLU 412.A N GLU 412.A OE1 no hydrogen 2.763 N/A LEU 413.A N ARG 505.A O no hydrogen 2.838 N/A TYR 414.A N ALA 487.A O no hydrogen 2.838 N/A PHE 416.A N ALA 485.A O no hydrogen 2.919 N/A TYR 417.A N GLU 497.A O no hydrogen 2.813 N/A LEU 418.A N TYR 483.A O no hydrogen 2.904 N/A ARG 419.A N GLN 422.A OE1 no hydrogen 2.878 N/A GLY 420.A N ARG 481.A O no hydrogen 2.811 N/A ALA 421.A N PRO 479.A O no hydrogen 2.943 N/A GLN 422.A N ARG 419.A O no hydrogen 2.813 N/A GLN 422.A NE2 VAL 495.A O no hydrogen 2.922 N/A ILE 423.A N ARG 419.A O no hydrogen 3.257 N/A LYS 424.A N GLY 420.A O no hydrogen 3.146 N/A LYS 424.A NZ.C GLU 428.A OE1 no hydrogen 2.690 N/A LYS 424.A NZ.C GLY 464.A O no hydrogen 3.481 N/A ALA 425.A N ALA 421.A O no hydrogen 3.022 N/A VAL 426.A N GLN 422.A O no hydrogen 2.837 N/A LEU 427.A N ILE 423.A O no hydrogen 3.326 N/A GLU 428.A N LYS 424.A O no hydrogen 2.918 N/A ASP 429.A N ALA 425.A O no hydrogen 2.793 N/A ILE 430.A N VAL 426.A O no hydrogen 3.020 N/A ALA 431.A N LEU 427.A O no hydrogen 2.888 N/A SER 432.A N GLU 428.A O no hydrogen 2.953 N/A SER 432.A OG.A ASP 429.A O no hydrogen 2.631 N/A SER 432.A OG.B GLU 428.A O no hydrogen 3.092 N/A SER 432.A OG.B THR 463.A OG1 no hydrogen 3.285 N/A ASN 433.A N ASP 429.A O no hydrogen 3.298 N/A ASN 433.A N ILE 430.A O no hydrogen 2.990 N/A VAL 434.A N ILE 430.A O no hydrogen 2.928 N/A PHE 435.A N ALA 431.A O no hydrogen 2.853 N/A PHE 440.A N.A ASP 438.A OD2.A no hydrogen 2.902 N/A TYR 441.A N.A ASP 438.A O.A no hydrogen 2.917 N/A TYR 441.A N.B ASP 438.A O.B no hydrogen 2.823 N/A GLN 442.A N.A ASP 438.A O.A no hydrogen 3.072 N/A GLN 442.A N.B PRO 439.A O.B no hydrogen 3.312 N/A GLN 443.A NE2.A TYR 202.A OH no hydrogen 2.968 N/A GLN 443.A NE2.A PHE 440.A O.B no hydrogen 2.604 N/A VAL 447.A N THR 357.A O no hydrogen 2.854 N/A SER 448.A OG.A SER 382.A O no hydrogen 3.130 N/A ARG 449.A N SER 382.A O no hydrogen 3.046 N/A ARG 449.A NE ASP 363.A OD2 no hydrogen 2.776 N/A ARG 449.A NH1 ASP 356.A O no hydrogen 3.029 N/A ARG 449.A NH1 THR 357.A O no hydrogen 3.257 N/A ARG 449.A NH1 VAL 447.A O no hydrogen 2.893 N/A ARG 449.A NH2 LYS 354.A O no hydrogen 2.908 N/A ARG 449.A NH2 ASP 356.A O no hydrogen 2.835 N/A PHE 451.A N VAL 380.A O no hydrogen 2.905 N/A LEU 453.A N VAL 450.A O no hydrogen 3.426 N/A ARG 454.A N GLU 471.A O no hydrogen 2.868 N/A TYR 455.A N ASN 528.A O no hydrogen 3.050 N/A VAL 456.A N ARG 468.A O no hydrogen 2.869 N/A LEU 457.A N LYS 530.A O no hydrogen 2.788 N/A ASP 458.A N ARG 466.A O no hydrogen 2.847 N/A ASP 460.A N ASP 458.A OD1 no hydrogen 3.040 N/A ALA 461.A N ASP 458.A O no hydrogen 3.079 N/A THR 463.A OG1 SER 432.A OG.B no hydrogen 3.285 N/A GLY 464.A N GLU 428.A OE2 no hydrogen 2.918 N/A GLU 465.A N PRO 462.A O no hydrogen 2.863 N/A ARG 466.A N GLU 428.A OE2 no hydrogen 2.879 N/A ARG 466.A NE PRO 459.A O no hydrogen 3.187 N/A ARG 466.A NH1 THR 463.A OG1 no hydrogen 2.982 N/A VAL 467.A N GLU 428.A OE1 no hydrogen 2.920 N/A ARG 468.A N VAL 456.A O no hydrogen 2.888 N/A GLU 471.A N ARG 454.A O no hydrogen 2.842 N/A VAL 472.A N ARG 475.A O no hydrogen 2.840 N/A GLY 473.A N GLY 452.A O no hydrogen 3.085 N/A ARG 475.A N VAL 472.A O no hydrogen 3.101 N/A LEU 477.A N VAL 470.A O no hydrogen 2.927 N/A ASP 478.A N TYR 483.A OH no hydrogen 2.956 N/A ASN 480.A N ASP 478.A OD1 no hydrogen 3.067 N/A ARG 481.A N ASP 478.A O no hydrogen 3.036 N/A TYR 483.A N LEU 418.A O no hydrogen 2.824 N/A LEU 484.A N GLU 378.A OE2 no hydrogen 2.878 N/A ALA 485.A N PHE 416.A O no hydrogen 2.725 N/A ALA 486.A N VAL 379.A O no hydrogen 2.923 N/A ALA 487.A N TYR 414.A O no hydrogen 2.945 N/A ARG 491.A NH2 LYS 204.A O no hydrogen 2.838 N/A ARG 491.A NH2 HIS 207.A O no hydrogen 2.776 N/A GLN 493.A N GLN 493.A OE1 no hydrogen 2.804 N/A GLN 493.A NE2 GLY 490.A O no hydrogen 3.041 N/A ARG 494.A N ARG 491.A O no hydrogen 2.939 N/A ARG 494.A NH1 GLU 209.A OE2 no hydrogen 2.949 N/A ARG 494.A NH2 GLU 209.A OE1 no hydrogen 2.956 N/A VAL 495.A N LEU 492.A O no hydrogen 3.098 N/A GLY 496.A N GLN 493.A O no hydrogen 3.076 N/A GLU 497.A N TYR 417.A O no hydrogen 3.082 N/A LYS 499.A N LEU 415.A O no hydrogen 2.997 N/A TYR 502.A N LYS 499.A O no hydrogen 3.366 N/A TYR 502.A OH LEU 413.A O no hydrogen 2.618 N/A ARG 505.A NE TYR 374.A OH no hydrogen 3.001 N/A ARG 505.A NH1 GLU 513.A OE1.B no hydrogen 3.537 N/A ARG 505.A NH1 GLU 513.A OE2.A no hydrogen 2.513 N/A ARG 505.A NH2 TYR 374.A OH no hydrogen 3.076 N/A ARG 505.A NH2 GLU 513.A OE1.A no hydrogen 2.830 N/A ARG 505.A NH2 GLU 513.A OE1.B no hydrogen 2.817 N/A ILE 507.A N PRO 411.A O no hydrogen 2.796 N/A GLU 509.A N PRO 506.A O no hydrogen 3.005 N/A VAL 510.A N PRO 506.A O no hydrogen 3.467 N/A LEU 511.A N ILE 507.A O no hydrogen 2.960 N/A ALA 512.A N TYR 508.A O no hydrogen 2.892 N/A GLU 513.A N GLU 509.A O no hydrogen 3.022 N/A TYR 514.A N VAL 510.A O no hydrogen 3.037 N/A LEU 515.A N LEU 511.A O no hydrogen 2.860 N/A ARG 516.A N ALA 512.A O no hydrogen 2.920 N/A SER 517.A N GLU 513.A O no hydrogen 3.339 N/A VAL 518.A N TYR 514.A O no hydrogen 2.945 N/A GLY 519.A N LEU 515.A O no hydrogen 2.968 N/A ARG 520.A N VAL 518.A O no hydrogen 2.857 N/A ARG 520.A NE GLU 349.A OE2 no hydrogen 2.790 N/A ARG 520.A NH2 GLU 349.A OE2 no hydrogen 3.556 N/A VAL 521.A N VAL 347.A O no hydrogen 2.930 N/A ARG 522.A NH1.B GLU 349.A OE1 no hydrogen 3.492 N/A GLU 526.A N TYR 359.A OH no hydrogen 2.880 N/A ASN 528.A ND2 LEU 453.A O no hydrogen 2.849 N/A LYS 530.A N TYR 455.A O no hydrogen 3.097 N/A ILE 532.A N LEU 457.A O no hydrogen 2.811 N/A ARG 534.A N VAL 531.A O no hydrogen 3.421 N/A ARG 534.A NE ALA 35.A O no hydrogen 3.414 N/A ARG 534.A NH1 ASP 460.A OD2 no hydrogen 3.121 N/A ARG 534.A NH1 GLY 533.A O no hydrogen 2.979 N/A ARG 534.A NH2 ALA 35.A O no hydrogen 2.694 N/A ARG 534.A NH2 ASP 460.A OD1 no hydrogen 3.406 N/A ARG 534.A NH2 ASP 460.A OD2 no hydrogen 3.024 N/A TYR 536.A OH ASP 356.A OD2 no hydrogen 2.573 N/A ARG 537.A N ASN 32.A OD1 no hydrogen 2.882 N/A ARG 537.A NH1 GLU 49.A OE1 no hydrogen 2.899 N/A ARG 537.A NH1 GLU 49.A OE2 no hydrogen 3.525 N/A ARG 537.A NH2 GLU 49.A OE2 no hydrogen 2.888 N/A THR 542.A N GLU 540.A OE2.A no hydrogen 3.117 N/A THR 542.A OG1 GLU 540.A OE2.A no hydrogen 2.592 N/A