Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wdf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH PRO 315.A O no hydrogen 2.438 N/A ASP 10.A N LEU 299.A O no hydrogen 2.662 N/A ALA 11.A N LEU 299.A O no hydrogen 3.212 N/A THR 12.A N LYS 106.A O no hydrogen 2.847 N/A THR 12.A OG1 ASP 298.A OD1 no hydrogen 2.407 N/A LEU 13.A N VAL 297.A O no hydrogen 2.727 N/A LEU 14.A N LEU 108.A O no hydrogen 2.784 N/A TYR 15.A N MET 295.A O no hydrogen 2.846 N/A PHE 16.A N LEU 110.A O no hydrogen 3.157 N/A SER 17.A OG ASP 18.A OD2 no hydrogen 2.795 N/A ASP 18.A N GLY 113.A O no hydrogen 2.780 N/A HIS 20.A N ASP 114.A O no hydrogen 2.630 N/A HIS 20.A ND1 ASN 118.A OD1 no hydrogen 2.737 N/A GLY 21.A N THR 115.A O no hydrogen 2.889 N/A GLN 22.A N LEU 19.A O no hydrogen 3.225 N/A GLN 22.A NE2 HIS 20.A O no hydrogen 3.320 N/A GLN 22.A NE2 ASN 118.A O no hydrogen 3.293 N/A HIS 26.A N ILE 83.A O no hydrogen 2.800 N/A HIS 26.A ND1 THR 390.A OG1 no hydrogen 2.642 N/A HIS 26.A NE2 ALA 290.A O no hydrogen 3.057 N/A MET 29.A N THR 391.A OG1 no hydrogen 2.992 N/A ASN 33.A ND2 ASP 357.A OD1 no hydrogen 2.728 N/A ASN 33.A ND2 ARG 538.A O no hydrogen 2.927 N/A ILE 35.A N THR 358.A OG1 no hydrogen 2.752 N/A LYS 38.A N ASP 461.A OD1 no hydrogen 2.778 N/A LEU 40.A N PRO 37.A O no hydrogen 2.881 N/A MET 41.A N LYS 38.A O no hydrogen 3.093 N/A ARG 43.A NE GLN 249.A OE1 no hydrogen 3.140 N/A ARG 43.A NH1 GLN 249.A OE1 no hydrogen 2.894 N/A TYR 46.A N ARG 43.A O no hydrogen 2.893 N/A THR 48.A OG1 PRO 32.A O no hydrogen 3.078 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.688 N/A ILE 52.A N THR 48.A O no hydrogen 3.075 N/A ARG 54.A N GLU 50.A O no hydrogen 3.114 N/A TYR 55.A N ALA 51.A O no hydrogen 2.995 N/A TYR 56.A N ILE 52.A O no hydrogen 3.248 N/A GLY 57.A N ARG 54.A O no hydrogen 3.052 N/A VAL 58.A N LEU 53.A O no hydrogen 2.797 N/A ARG 60.A NE ASP 72.A OD2 no hydrogen 2.690 N/A ARG 60.A NH2 ASP 72.A OD1 no hydrogen 2.954 N/A THR 62.A OG1 GLU 59.A O no hydrogen 2.805 N/A ALA 65.A N THR 62.A OG1 no hydrogen 3.131 N/A TYR 66.A N THR 62.A O no hydrogen 3.001 N/A TYR 66.A OH GLY 81.A O no hydrogen 2.763 N/A LEU 67.A N PRO 63.A O no hydrogen 3.207 N/A LEU 68.A N LEU 64.A O no hydrogen 2.817 N/A SER 69.A N ALA 65.A O no hydrogen 3.158 N/A SER 69.A OG GLY 49.A O no hydrogen 2.821 N/A VAL 71.A N SER 69.A OG no hydrogen 3.214 N/A PHE 73.A N TYR 70.A O no hydrogen 3.005 N/A LEU 76.A N ASP 72.A O no hydrogen 2.906 N/A ALA 77.A N PHE 73.A O no hydrogen 2.785 N/A ARG 78.A N VAL 74.A O no hydrogen 3.166 N/A ARG 78.A NE GLY 544.A O no hydrogen 3.369 N/A ARG 78.A NE GLY 544.A OXT no hydrogen 2.612 N/A ARG 78.A NH2 PRO 394.A O no hydrogen 3.002 N/A ARG 78.A NH2 GLY 544.A O no hydrogen 2.565 N/A ARG 78.A NH2 GLY 544.A OXT no hydrogen 3.456 N/A THR 79.A N GLU 75.A O no hydrogen 3.126 N/A THR 79.A OG1 GLU 75.A O no hydrogen 2.971 N/A PHE 80.A N LEU 76.A O no hydrogen 2.855 N/A GLY 81.A N ALA 77.A O no hydrogen 2.982 N/A ILE 83.A N HIS 26.A O no hydrogen 2.716 N/A GLY 84.A N VAL 316.A O no hydrogen 2.961 N/A MET 86.A N ALA 23.A O no hydrogen 2.858 N/A LEU 89.A N GLY 85.A O no hydrogen 3.034 N/A THR 90.A N MET 86.A O no hydrogen 3.009 N/A THR 90.A OG1 MET 86.A O no hydrogen 2.699 N/A ALA 91.A N GLY 87.A O no hydrogen 3.011 N/A LEU 92.A N ALA 88.A O no hydrogen 2.936 N/A ILE 93.A N LEU 89.A O no hydrogen 2.870 N/A ARG 94.A N THR 90.A O no hydrogen 2.856 N/A ARG 94.A NH1 ASP 326.A OD1 no hydrogen 2.706 N/A ARG 94.A NH1 ASP 326.A OD2 no hydrogen 3.338 N/A ARG 94.A NH2 LEU 136.A O no hydrogen 2.794 N/A ARG 94.A NH2 ASP 326.A OD2 no hydrogen 2.891 N/A ASP 95.A N ALA 91.A O no hydrogen 2.932 N/A GLN 96.A N LEU 92.A O no hydrogen 2.981 N/A GLN 96.A NE2 TYR 3.A O no hydrogen 3.047 N/A GLN 96.A NE2 ASP 95.A OD2 no hydrogen 2.981 N/A LYS 97.A N ILE 93.A O no hydrogen 2.983 N/A ALA 98.A N ARG 94.A O no hydrogen 3.071 N/A ARG 99.A N ASP 95.A O no hydrogen 3.097 N/A ARG 99.A NE.A ASP 95.A OD1 no hydrogen 3.408 N/A ARG 99.A NE.A ASP 95.A OD2 no hydrogen 2.870 N/A ARG 99.A NH1.A ASP 4.A OD1 no hydrogen 2.656 N/A ARG 99.A NH1.B LEU 5.A O no hydrogen 3.260 N/A ARG 99.A NH2.A ASP 95.A OD1 no hydrogen 3.491 N/A ARG 99.A NH2.A ASP 95.A OD2 no hydrogen 3.309 N/A VAL 100.A N GLN 96.A O no hydrogen 3.124 N/A GLU 101.A N LYS 97.A O no hydrogen 2.978 N/A ALA 102.A N ALA 98.A O no hydrogen 2.948 N/A GLU 103.A N ARG 99.A O no hydrogen 2.965 N/A GLU 103.A N VAL 100.A O no hydrogen 2.966 N/A GLY 104.A N GLU 101.A O no hydrogen 2.678 N/A GLY 105.A N VAL 100.A O no hydrogen 2.695 N/A LEU 108.A N THR 12.A O no hydrogen 2.915 N/A VAL 109.A N ASP 140.A OD2 no hydrogen 2.692 N/A LEU 110.A N LEU 14.A O no hydrogen 2.894 N/A ASP 111.A N HIS 141.A O no hydrogen 2.938 N/A GLY 112.A N PHE 16.A O no hydrogen 2.849 N/A GLY 113.A N ASP 111.A OD1 no hydrogen 2.995 N/A ASP 114.A N GLU 147.A OE1 no hydrogen 3.158 N/A THR 115.A N GLU 147.A OE2 no hydrogen 2.672 N/A THR 115.A OG1 ASP 111.A OD1 no hydrogen 2.841 N/A THR 115.A OG1 ASP 111.A OD2 no hydrogen 2.649 N/A TRP 116.A N GLU 147.A OE2 no hydrogen 3.195 N/A TRP 116.A NE1 GLN 134.A OE1 no hydrogen 2.713 N/A THR 117.A OG1 ASN 118.A OD1 no hydrogen 2.826 N/A ASN 118.A ND2 GLY 408.A O no hydrogen 3.130 N/A SER 119.A OG GLY 21.A O no hydrogen 2.648 N/A SER 122.A N SER 119.A OG no hydrogen 3.214 N/A SER 122.A OG TRP 116.A O no hydrogen 2.637 N/A LEU 123.A N SER 119.A O no hydrogen 2.975 N/A LEU 124.A N GLY 120.A O no hydrogen 2.872 N/A THR 125.A N SER 122.A O no hydrogen 3.268 N/A THR 125.A OG1 LEU 121.A O no hydrogen 2.934 N/A ARG 126.A N LEU 123.A O no hydrogen 3.456 N/A GLY 127.A N SER 122.A O no hydrogen 2.693 N/A GLU 128.A N THR 125.A O no hydrogen 3.036 N/A ALA 129.A N THR 125.A OG1 no hydrogen 2.992 N/A VAL 130.A N GLY 127.A O no hydrogen 3.065 N/A VAL 131.A N GLY 127.A O no hydrogen 3.273 N/A ARG 132.A N GLU 128.A O no hydrogen 2.963 N/A ARG 132.A NE.A GLU 128.A OE2 no hydrogen 3.141 N/A ARG 132.A NH2.A GLU 128.A OE2 no hydrogen 2.882 N/A TRP 133.A N ALA 129.A O no hydrogen 3.091 N/A TRP 133.A NE1 THR 90.A OG1 no hydrogen 2.788 N/A GLN 134.A N VAL 130.A O no hydrogen 2.970 N/A GLN 134.A NE2 ASP 111.A OD2 no hydrogen 2.963 N/A ASN 135.A N VAL 131.A O no hydrogen 3.098 N/A ASN 135.A ND2 LEU 161.A O no hydrogen 2.893 N/A LEU 136.A N ARG 132.A O no hydrogen 3.027 N/A VAL 137.A N TRP 133.A O no hydrogen 2.997 N/A GLY 138.A N GLN 134.A O no hydrogen 2.856 N/A VAL 139.A N GLN 134.A O no hydrogen 3.338 N/A ASP 140.A N VAL 109.A O no hydrogen 2.831 N/A HIS 141.A N VAL 109.A O no hydrogen 3.457 N/A HIS 141.A ND1 GLU 165.A O no hydrogen 2.943 N/A HIS 141.A NE2 HIS 187.A NE2 no hydrogen 2.723 N/A VAL 143.A N ASP 111.A O no hydrogen 3.250 N/A SER 144.A N SER 200.A OG no hydrogen 3.128 N/A SER 144.A OG SER 200.A OG no hydrogen 2.863 N/A HIS 145.A N GLU 147.A OE1 no hydrogen 2.918 N/A HIS 145.A NE2 HIS 208.A NE2 no hydrogen 2.841 N/A TRP 146.A N ASP 114.A OD1 no hydrogen 2.676 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.891 N/A TRP 148.A N HIS 145.A O no hydrogen 3.246 N/A TRP 148.A NE1 SER 144.A OG no hydrogen 2.770 N/A THR 149.A N TRP 146.A O no hydrogen 2.859 N/A THR 149.A OG1 TRP 146.A O no hydrogen 2.767 N/A LEU 150.A N GLU 147.A O no hydrogen 3.136 N/A GLY 151.A N TRP 148.A O no hydrogen 2.979 N/A ARG 152.A N PHE 212.A O no hydrogen 3.107 N/A ARG 152.A NH2 GLU 214.A O no hydrogen 3.117 N/A ARG 154.A NE ARG 126.A O no hydrogen 3.057 N/A ARG 154.A NH1 GLU 157.A OE1 no hydrogen 3.285 N/A ARG 154.A NH2 THR 125.A O no hydrogen 2.908 N/A ARG 154.A NH2 GLU 128.A OE1 no hydrogen 3.499 N/A VAL 155.A N GLY 151.A O no hydrogen 3.029 N/A GLU 156.A N ARG 152.A O no hydrogen 2.965 N/A GLU 157.A N GLU 153.A O no hydrogen 2.963 N/A LEU 158.A N ARG 154.A O no hydrogen 2.860 N/A LEU 159.A N VAL 155.A O no hydrogen 2.896 N/A GLY 160.A N GLU 157.A O no hydrogen 2.826 N/A LEU 161.A N LEU 158.A O no hydrogen 3.048 N/A PHE 162.A N LEU 158.A O no hydrogen 2.866 N/A ARG 163.A N ASN 135.A OD1 no hydrogen 2.715 N/A GLU 165.A N ASP 140.A O no hydrogen 2.985 N/A LEU 167.A N MET 142.A O no hydrogen 3.250 N/A SER 168.A N PRO 182.A O no hydrogen 2.912 N/A SER 168.A OG LEU 167.A O no hydrogen 2.506 N/A SER 168.A OG SER 200.A OG no hydrogen 2.671 N/A TYR 169.A N GLY 198.A O no hydrogen 2.987 N/A ASN 170.A ND2 SER 200.A O no hydrogen 2.889 N/A ASN 170.A ND2 PHE 218.A O no hydrogen 2.839 N/A VAL 172.A N SER 217.A O no hydrogen 3.035 N/A ASP 173.A N ASP 178.A O no hydrogen 3.048 N/A ASP 174.A N GLY 215.A O no hydrogen 2.928 N/A LEU 175.A N ASP 173.A OD2 no hydrogen 2.758 N/A PHE 176.A N ASP 173.A OD2 no hydrogen 2.588 N/A GLY 177.A N ASP 173.A O no hydrogen 2.898 N/A LEU 180.A N ILE 171.A O no hydrogen 2.985 N/A TYR 184.A OH GLU 235.A OE1 no hydrogen 2.666 N/A ARG 185.A N VAL 196.A O no hydrogen 3.028 N/A ARG 185.A NE.A GLU 165.A OE1 no hydrogen 3.125 N/A ARG 185.A NE.A GLU 165.A OE2 no hydrogen 3.182 N/A ARG 185.A NE.C GLU 165.A OE2 no hydrogen 3.433 N/A ARG 185.A NH1.C ILE 186.A O no hydrogen 3.156 N/A ARG 185.A NH2.A GLU 165.A OE1 no hydrogen 2.964 N/A HIS 187.A N LEU 194.A O no hydrogen 2.852 N/A HIS 187.A NE2 HIS 141.A NE2 no hydrogen 2.723 N/A VAL 189.A N TYR 192.A O no hydrogen 2.935 N/A TYR 192.A N VAL 189.A O no hydrogen 3.211 N/A ALA 193.A N ASN 238.A OD1 no hydrogen 3.049 N/A LEU 194.A N HIS 187.A O no hydrogen 2.926 N/A ALA 195.A N ALA 239.A O no hydrogen 2.826 N/A VAL 196.A N ARG 185.A O no hydrogen 2.897 N/A VAL 197.A N VAL 241.A O no hydrogen 2.712 N/A GLY 198.A N ALA 183.A O no hydrogen 2.912 N/A ALA 199.A N LEU 243.A O no hydrogen 2.996 N/A SER 200.A N ASN 170.A OD1 no hydrogen 2.998 N/A SER 200.A OG SER 144.A O no hydrogen 3.346 N/A SER 200.A OG SER 144.A OG no hydrogen 2.863 N/A SER 200.A OG SER 168.A OG no hydrogen 2.671 N/A TYR 201.A N SER 144.A O no hydrogen 3.143 N/A TYR 201.A OH GLN 444.A O no hydrogen 2.777 N/A LYS 205.A NZ THR 213.A OG1 no hydrogen 2.935 N/A SER 207.A N TYR 203.A O no hydrogen 3.196 N/A SER 207.A OG TYR 203.A O no hydrogen 2.910 N/A HIS 208.A ND1 TYR 411.A OH no hydrogen 2.922 N/A HIS 208.A NE2 HIS 145.A NE2 no hydrogen 2.841 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.726 N/A PHE 212.A N PRO 209.A O no hydrogen 3.086 N/A THR 213.A N GLU 210.A O no hydrogen 3.229 N/A LEU 216.A N THR 213.A O no hydrogen 3.019 N/A SER 217.A N VAL 172.A O no hydrogen 2.870 N/A ALA 219.A N SER 217.A OG no hydrogen 3.425 N/A ASP 221.A N TYR 169.A OH no hydrogen 3.391 N/A ARG 223.A NH2 GLU 227.A OE1 no hydrogen 3.329 N/A ARG 224.A N ASP 221.A OD1 no hydrogen 3.226 N/A ARG 224.A NH2 GLY 177.A O no hydrogen 2.918 N/A LEU 225.A N ASP 221.A O no hydrogen 2.793 N/A GLN 226.A N GLU 222.A O no hydrogen 2.723 N/A GLN 226.A NE2 GLN 226.A O no hydrogen 3.051 N/A GLN 226.A NE2 ASP 230.A OD2 no hydrogen 3.489 N/A GLN 226.A NE2 ARG 259.A O no hydrogen 3.214 N/A GLU 227.A N ARG 223.A O no hydrogen 2.851 N/A ALA 228.A N ARG 224.A O no hydrogen 3.049 N/A VAL 229.A N LEU 225.A O no hydrogen 3.094 N/A ASP 230.A N GLN 226.A O no hydrogen 2.966 N/A LYS 231.A N GLU 227.A O no hydrogen 2.886 N/A ALA 232.A N ALA 228.A O no hydrogen 3.005 N/A ARG 233.A N VAL 229.A O no hydrogen 3.267 N/A ARG 233.A NE GLY 260.A O no hydrogen 3.434 N/A ARG 233.A NH1 ASN 238.A O no hydrogen 2.891 N/A ARG 233.A NH2 GLY 260.A O no hydrogen 2.907 N/A ALA 234.A N ASP 230.A O no hydrogen 3.006 N/A GLU 235.A N LYS 231.A O no hydrogen 2.894 N/A GLY 236.A N ARG 233.A O no hydrogen 2.921 N/A ALA 237.A N ALA 232.A O no hydrogen 2.998 N/A ASN 238.A N ALA 193.A O no hydrogen 2.841 N/A ASN 238.A ND2 LYS 303.A O no hydrogen 2.857 N/A ALA 239.A N ALA 193.A O no hydrogen 3.289 N/A VAL 240.A N ASP 262.A OD2 no hydrogen 2.947 N/A VAL 241.A N ALA 195.A O no hydrogen 2.763 N/A LEU 242.A N LEU 263.A O no hydrogen 2.841 N/A LEU 243.A N VAL 197.A O no hydrogen 2.664 N/A SER 244.A N LEU 265.A O no hydrogen 2.957 N/A SER 244.A OG ASP 251.A OD1 no hydrogen 2.684 N/A SER 244.A OG ASP 251.A OD2 no hydrogen 3.022 N/A HIS 245.A N ALA 199.A O no hydrogen 2.915 N/A HIS 245.A ND1 GLY 112.A O no hydrogen 2.748 N/A ASN 246.A N SER 244.A OG no hydrogen 3.047 N/A ASN 246.A ND2 ASP 251.A OD1 no hydrogen 3.002 N/A MET 248.A N THR 269.A OG1 no hydrogen 3.025 N/A GLN 249.A NE2 PRO 44.A O no hydrogen 3.028 N/A ASP 251.A N GLY 247.A O no hydrogen 2.824 N/A ALA 252.A N MET 248.A O no hydrogen 2.817 N/A ALA 253.A N GLN 249.A O no hydrogen 2.981 N/A LEU 254.A N LEU 250.A O no hydrogen 3.008 N/A ALA 255.A N ASP 251.A O no hydrogen 3.080 N/A ALA 255.A N ALA 252.A O no hydrogen 3.176 N/A GLU 256.A N ALA 253.A O no hydrogen 3.034 N/A ARG 257.A N LEU 254.A O no hydrogen 2.977 N/A ARG 257.A NE.A GLU 222.A OE2 no hydrogen 2.504 N/A ARG 257.A NH1.B ALA 253.A O no hydrogen 3.357 N/A ARG 257.A NH2.A GLU 222.A OE1 no hydrogen 2.445 N/A ARG 257.A NH2.A GLU 222.A OE2 no hydrogen 2.941 N/A ILE 258.A N LEU 254.A O no hydrogen 2.692 N/A ARG 259.A N GLN 226.A OE1 no hydrogen 2.958 N/A ASP 262.A N VAL 240.A O no hydrogen 3.020 N/A LEU 263.A N VAL 240.A O no hydrogen 3.334 N/A ILE 264.A N TRP 283.A O no hydrogen 2.767 N/A LEU 265.A N LEU 242.A O no hydrogen 2.875 N/A SER 266.A N VAL 285.A O no hydrogen 2.730 N/A SER 266.A OG ASP 251.A OD2 no hydrogen 2.745 N/A GLY 267.A N SER 244.A O no hydrogen 2.890 N/A HIS 268.A N ASP 18.A OD2 no hydrogen 2.859 N/A HIS 268.A NE2 GLN 444.A O no hydrogen 3.016 N/A THR 269.A N GLY 267.A O no hydrogen 2.981 N/A THR 269.A OG1 ASP 271.A OD2 no hydrogen 2.855 N/A THR 273.A OG1 THR 273.A O no hydrogen 2.706 N/A TRP 277.A N ILE 284.A O no hydrogen 2.850 N/A VAL 279.A N THR 282.A O no hydrogen 2.800 N/A THR 282.A N VAL 279.A O no hydrogen 2.805 N/A THR 282.A OG1 ILE 261.A O no hydrogen 2.547 N/A TRP 283.A N ASP 262.A O no hydrogen 3.033 N/A ILE 284.A N TRP 277.A O no hydrogen 2.795 N/A VAL 285.A N ILE 264.A O no hydrogen 2.859 N/A ALA 286.A N THR 273.A OG1 no hydrogen 2.921 N/A GLY 287.A N SER 266.A O no hydrogen 2.927 N/A SER 288.A N ASP 271.A O no hydrogen 2.788 N/A ALA 290.A N ASP 18.A O no hydrogen 2.740 N/A LYS 292.A N ALA 289.A O no hydrogen 3.027 N/A LYS 292.A NZ PHE 28.A O no hydrogen 2.915 N/A LYS 292.A NZ GLU 30.A OE2 no hydrogen 2.600 N/A LYS 292.A NZ LEU 67.A O no hydrogen 2.744 N/A LEU 294.A N LEU 314.A O no hydrogen 2.978 N/A MET 295.A N TYR 15.A O no hydrogen 2.765 N/A ARG 296.A N ARG 312.A O no hydrogen 2.944 N/A ARG 296.A NE ASP 298.A OD1 no hydrogen 2.918 N/A ARG 296.A NE ASP 298.A OD2 no hydrogen 3.139 N/A ARG 296.A NH1 GLN 96.A OE1 no hydrogen 2.799 N/A ARG 296.A NH2 ASP 298.A OD1 no hydrogen 3.348 N/A VAL 297.A N LEU 13.A O no hydrogen 2.837 N/A ASP 298.A N ARG 310.A O no hydrogen 2.835 N/A LEU 299.A N ALA 11.A O no hydrogen 2.688 N/A LYS 300.A N ASN 308.A O no hydrogen 3.024 N/A LEU 301.A N ASP 10.A OD2 no hydrogen 2.758 N/A TRP 302.A N GLY 305.A O no hydrogen 3.010 N/A GLY 305.A N TRP 302.A O no hydrogen 3.142 N/A ALA 307.A N LYS 300.A O no hydrogen 2.786 N/A ASN 308.A N LYS 300.A O no hydrogen 3.396 N/A LEU 309.A N ASN 308.A OD1 no hydrogen 2.885 N/A ARG 310.A N ASP 298.A O no hydrogen 2.826 N/A ARG 310.A NH1 PRO 6.A O no hydrogen 2.852 N/A ARG 310.A NH2 PRO 6.A O no hydrogen 3.042 N/A ARG 310.A NH2 ASP 298.A OD2 no hydrogen 2.583 N/A ARG 312.A N ARG 296.A O no hydrogen 2.957 N/A ARG 312.A NH1 VAL 311.A O no hydrogen 2.675 N/A LEU 314.A N LEU 294.A O no hydrogen 2.916 N/A VAL 316.A N LYS 292.A O no hydrogen 2.868 N/A HIS 320.A N LEU 317.A O no hydrogen 2.841 N/A GLU 328.A N ALA 324.A O no hydrogen 2.991 N/A ALA 329.A N GLU 325.A O no hydrogen 2.852 N/A PHE 330.A N ASP 326.A O no hydrogen 3.041 N/A LEU 331.A N VAL 327.A O no hydrogen 2.982 N/A LYS 332.A N GLU 328.A O no hydrogen 3.057 N/A ALA 333.A N ALA 329.A O no hydrogen 3.124 N/A GLN 334.A N PHE 330.A O no hydrogen 2.939 N/A LEU 335.A N LEU 331.A O no hydrogen 2.889 N/A HIS 338.A N LEU 335.A O no hydrogen 3.044 N/A GLN 339.A N ALA 336.A O no hydrogen 3.223 N/A HIS 341.A NE2 TYR 404.A OH no hydrogen 2.677 N/A LEU 342.A N HIS 338.A O no hydrogen 2.887 N/A PHE 343.A N GLN 339.A O no hydrogen 2.977 N/A THR 344.A N ASP 340.A O no hydrogen 3.313 N/A THR 344.A OG1 ASP 340.A O no hydrogen 2.505 N/A LEU 346.A N ILE 398.A O no hydrogen 2.765 N/A VAL 348.A N GLY 520.A O no hydrogen 2.954 N/A SER 349.A N GLN 396.A O no hydrogen 2.990 N/A SER 349.A OG THR 351.A O no hydrogen 2.701 N/A GLU 350.A N VAL 522.A O no hydrogen 2.796 N/A THR 351.A OG1 VAL 524.A O no hydrogen 2.636 N/A LEU 352.A N VAL 542.A O no hydrogen 2.931 N/A LEU 353.A N ILE 392.A O no hydrogen 2.944 N/A TYR 354.A N THR 362.A OG1 no hydrogen 3.171 N/A LYS 355.A NZ ASP 364.A OD1 no hydrogen 2.664 N/A LYS 355.A NZ ASP 364.A OD2 no hydrogen 3.508 N/A LYS 355.A NZ PRO 384.A O no hydrogen 2.724 N/A ARG 356.A NH2.A GLU 30.A OE2 no hydrogen 2.582 N/A ARG 356.A NH2.B GLU 30.A OE1 no hydrogen 2.866 N/A ARG 356.A NH2.B HIS 270.A O no hydrogen 3.099 N/A THR 358.A N ASN 33.A O no hydrogen 3.155 N/A THR 358.A OG1 ASN 33.A O no hydrogen 3.038 N/A LEU 359.A N ASP 357.A OD2 no hydrogen 2.837 N/A TYR 360.A N ASP 357.A OD2 no hydrogen 2.979 N/A TYR 360.A OH GLN 365.A OE1 no hydrogen 2.468 N/A SER 361.A OG TYR 354.A O no hydrogen 3.175 N/A SER 361.A OG ASP 364.A OD2 no hydrogen 2.664 N/A THR 362.A OG1 LEU 352.A O no hydrogen 2.806 N/A TRP 363.A N TYR 354.A O no hydrogen 2.972 N/A ASP 364.A N SER 361.A OG no hydrogen 3.008 N/A GLN 365.A N SER 361.A O no hydrogen 3.168 N/A GLN 365.A NE2 GLU 369.A OE2 no hydrogen 2.852 N/A GLN 365.A NE2 GLU 527.A OE1 no hydrogen 2.863 N/A LEU 366.A N THR 362.A O no hydrogen 2.978 N/A VAL 367.A N TRP 363.A O no hydrogen 3.037 N/A GLY 368.A N ASP 364.A O no hydrogen 3.044 N/A GLU 369.A N GLN 365.A O no hydrogen 2.842 N/A ALA 370.A N LEU 366.A O no hydrogen 2.864 N/A VAL 371.A N VAL 367.A O no hydrogen 2.972 N/A LYS 372.A N GLY 368.A O no hydrogen 2.982 N/A LYS 372.A NZ VAL 378.A O no hydrogen 3.538 N/A LYS 372.A NZ GLU 379.A O no hydrogen 2.941 N/A ALA 373.A N GLU 369.A O no hydrogen 3.029 N/A ILE 374.A N ALA 370.A O no hydrogen 3.232 N/A ILE 374.A N VAL 371.A O no hydrogen 3.252 N/A TYR 375.A N VAL 371.A O no hydrogen 2.720 N/A GLU 377.A N GLU 377.A OE1.A no hydrogen 2.567 N/A VAL 378.A N TYR 375.A O no hydrogen 2.830 N/A GLU 379.A N LEU 485.A O no hydrogen 2.857 N/A VAL 380.A N LEU 485.A O no hydrogen 3.371 N/A VAL 381.A N PHE 452.A O no hydrogen 2.796 N/A PHE 382.A N ALA 487.A O no hydrogen 2.820 N/A SER 383.A N ARG 450.A O no hydrogen 2.697 N/A ARG 387.A NE.A THR 269.A O no hydrogen 3.041 N/A ARG 387.A NE.B ASP 447.A OD2 no hydrogen 2.895 N/A ARG 387.A NH1.A ASP 447.A OD2 no hydrogen 3.410 N/A ARG 387.A NH1.B THR 269.A O no hydrogen 3.029 N/A ARG 387.A NH2.A THR 269.A O no hydrogen 2.810 N/A ARG 387.A NH2.B ASP 447.A OD1 no hydrogen 2.742 N/A THR 390.A OG1 HIS 26.A ND1 no hydrogen 2.642 N/A THR 390.A OG1 TYR 27.A O no hydrogen 3.166 N/A THR 391.A OG1 TYR 27.A O no hydrogen 3.449 N/A ILE 392.A N LEU 353.A O no hydrogen 3.006 N/A LEU 393.A N GLN 396.A OE1 no hydrogen 2.878 N/A GLY 395.A N SER 349.A O no hydrogen 2.660 N/A GLN 396.A N LEU 393.A O no hydrogen 2.901 N/A ILE 398.A N ALA 347.A O no hydrogen 2.711 N/A THR 399.A N HIS 402.A ND1 no hydrogen 3.035 N/A THR 399.A OG1 LEU 342.A O no hydrogen 3.157 N/A ASP 401.A N LEU 342.A O no hydrogen 3.114 N/A HIS 402.A N THR 399.A OG1 no hydrogen 3.410 N/A LEU 403.A N THR 399.A O no hydrogen 2.977 N/A TYR 404.A N TRP 400.A O no hydrogen 2.839 N/A TYR 404.A OH HIS 341.A NE2 no hydrogen 2.677 N/A ALA 405.A N ASP 401.A O no hydrogen 3.000 N/A TYR 406.A N HIS 402.A O no hydrogen 2.936 N/A TYR 406.A OH THR 390.A O no hydrogen 2.819 N/A THR 407.A N LEU 403.A O no hydrogen 2.789 N/A THR 407.A OG1 LEU 403.A O no hydrogen 2.685 N/A PHE 409.A N THR 407.A O no hydrogen 2.743 N/A THR 410.A OG1 THR 149.A O no hydrogen 2.741 N/A TYR 411.A OH HIS 208.A ND1 no hydrogen 2.922 N/A LEU 414.A N ARG 506.A O no hydrogen 2.830 N/A TYR 415.A N ALA 488.A O no hydrogen 2.890 N/A PHE 417.A N ALA 486.A O no hydrogen 2.924 N/A TYR 418.A N GLU 498.A O no hydrogen 2.712 N/A LEU 419.A N TYR 484.A O no hydrogen 2.943 N/A ARG 420.A N GLN 423.A OE1 no hydrogen 2.874 N/A GLY 421.A N ARG 482.A O no hydrogen 2.869 N/A ALA 422.A N PRO 480.A O no hydrogen 3.028 N/A GLN 423.A N ARG 420.A O no hydrogen 2.876 N/A GLN 423.A NE2 VAL 496.A O no hydrogen 2.936 N/A ILE 424.A N ARG 420.A O no hydrogen 3.329 N/A LYS 425.A N GLY 421.A O no hydrogen 3.366 N/A LYS 425.A NZ.A VAL 468.A O no hydrogen 3.111 N/A LYS 425.A NZ.B GLU 429.A OE1 no hydrogen 2.532 N/A LYS 425.A NZ.B GLY 465.A O no hydrogen 3.163 N/A LYS 425.A NZ.B VAL 468.A O no hydrogen 2.699 N/A ALA 426.A N ALA 422.A O no hydrogen 3.105 N/A VAL 427.A N GLN 423.A O no hydrogen 2.904 N/A LEU 428.A N ILE 424.A O no hydrogen 3.200 N/A GLU 429.A N LYS 425.A O no hydrogen 2.852 N/A ASP 430.A N ALA 426.A O no hydrogen 2.876 N/A ILE 431.A N VAL 427.A O no hydrogen 2.928 N/A ALA 432.A N LEU 428.A O no hydrogen 2.804 N/A SER 433.A N GLU 429.A O no hydrogen 2.893 N/A SER 433.A OG ASP 430.A O no hydrogen 2.895 N/A ASN 434.A N ASP 430.A O no hydrogen 3.316 N/A ASN 434.A N ILE 431.A O no hydrogen 3.024 N/A VAL 435.A N ILE 431.A O no hydrogen 2.881 N/A PHE 436.A N ALA 432.A O no hydrogen 2.859 N/A THR 437.A OG1 SER 433.A O no hydrogen 2.717 N/A THR 437.A OG1 ASN 434.A O no hydrogen 2.836 N/A PHE 441.A N ASP 439.A OD1 no hydrogen 2.865 N/A TYR 442.A N ASP 439.A O no hydrogen 2.877 N/A GLN 443.A N PRO 440.A O no hydrogen 3.298 N/A GLN 443.A NE2 VAL 435.A O no hydrogen 2.944 N/A GLN 443.A NE2 THR 437.A O no hydrogen 3.434 N/A VAL 448.A N THR 358.A O no hydrogen 2.842 N/A SER 449.A OG SER 383.A O no hydrogen 3.243 N/A ARG 450.A N SER 383.A O no hydrogen 3.164 N/A ARG 450.A NE ASP 364.A OD2 no hydrogen 2.777 N/A ARG 450.A NH1 ASP 357.A O no hydrogen 3.060 N/A ARG 450.A NH1 VAL 448.A O no hydrogen 2.899 N/A ARG 450.A NH2 LYS 355.A O no hydrogen 2.911 N/A ARG 450.A NH2 ASP 357.A O no hydrogen 2.841 N/A PHE 452.A N VAL 381.A O no hydrogen 2.749 N/A LEU 454.A N VAL 451.A O no hydrogen 3.466 N/A ARG 455.A N GLU 472.A O no hydrogen 2.915 N/A TYR 456.A N ASN 529.A O no hydrogen 2.961 N/A VAL 457.A N ARG 469.A O no hydrogen 2.946 N/A LEU 458.A N LYS 531.A O no hydrogen 2.700 N/A ASP 459.A N ARG 467.A O no hydrogen 2.817 N/A ASP 461.A N ASP 459.A OD1 no hydrogen 3.159 N/A ALA 462.A N ASP 459.A O no hydrogen 3.000 N/A GLY 465.A N GLU 429.A OE2 no hydrogen 3.117 N/A GLU 466.A N PRO 463.A O no hydrogen 2.740 N/A ARG 467.A N GLU 429.A OE2 no hydrogen 3.083 N/A ARG 467.A NE PRO 460.A O no hydrogen 3.001 N/A ARG 467.A NH1 THR 464.A OG1 no hydrogen 3.002 N/A VAL 468.A N GLU 429.A OE1 no hydrogen 2.506 N/A ARG 469.A N VAL 457.A O no hydrogen 3.000 N/A GLU 472.A N ARG 455.A O no hydrogen 2.956 N/A VAL 473.A N ARG 476.A O no hydrogen 2.920 N/A GLY 474.A N GLY 453.A O no hydrogen 3.106 N/A ARG 476.A N VAL 473.A O no hydrogen 3.265 N/A LEU 478.A N VAL 471.A O no hydrogen 2.906 N/A ASP 479.A N TYR 484.A OH no hydrogen 2.905 N/A ASN 481.A N ASP 479.A OD1 no hydrogen 3.167 N/A ARG 482.A N ASP 479.A O no hydrogen 3.007 N/A ARG 483.A NE GLU 498.A OE2 no hydrogen 3.387 N/A ARG 483.A NH2 GLU 498.A OE2 no hydrogen 2.792 N/A TYR 484.A N LEU 419.A O no hydrogen 2.873 N/A LEU 485.A N GLU 379.A OE2 no hydrogen 3.122 N/A ALA 486.A N PHE 417.A O no hydrogen 2.690 N/A ALA 487.A N VAL 380.A O no hydrogen 2.931 N/A ALA 488.A N TYR 415.A O no hydrogen 2.954 N/A ARG 492.A NH2 LYS 205.A O no hydrogen 2.707 N/A ARG 492.A NH2 HIS 208.A O no hydrogen 2.586 N/A GLN 494.A N GLN 494.A OE1 no hydrogen 2.736 N/A GLN 494.A NE2 GLY 491.A O no hydrogen 3.066 N/A ARG 495.A N ARG 492.A O no hydrogen 2.913 N/A ARG 495.A NH1 GLU 210.A OE2 no hydrogen 2.918 N/A ARG 495.A NH2 GLU 210.A OE1 no hydrogen 2.735 N/A ARG 495.A NH2 GLU 210.A OE2 no hydrogen 3.546 N/A VAL 496.A N LEU 493.A O no hydrogen 3.113 N/A GLY 497.A N GLN 494.A O no hydrogen 2.989 N/A GLU 498.A N TYR 418.A O no hydrogen 2.995 N/A LYS 500.A N LEU 416.A O no hydrogen 2.910 N/A LYS 500.A NZ GLU 377.A OE1.B no hydrogen 2.693 N/A TYR 503.A N LYS 500.A O no hydrogen 3.182 N/A TYR 503.A OH LEU 414.A O no hydrogen 2.596 N/A ARG 506.A NE TYR 375.A OH no hydrogen 3.027 N/A ARG 506.A NH1 GLU 514.A OE1 no hydrogen 3.076 N/A ARG 506.A NH1 GLU 514.A OE2 no hydrogen 2.619 N/A ARG 506.A NH2 TYR 375.A OH no hydrogen 3.281 N/A ARG 506.A NH2 GLU 514.A OE1 no hydrogen 2.713 N/A ILE 508.A N PRO 412.A O no hydrogen 2.715 N/A GLU 510.A N PRO 507.A O no hydrogen 2.943 N/A LEU 512.A N ILE 508.A O no hydrogen 2.982 N/A ALA 513.A N TYR 509.A O no hydrogen 2.902 N/A GLU 514.A N GLU 510.A O no hydrogen 2.960 N/A TYR 515.A N VAL 511.A O no hydrogen 3.054 N/A LEU 516.A N LEU 512.A O no hydrogen 2.863 N/A ARG 517.A N ALA 513.A O no hydrogen 2.948 N/A SER 518.A N GLU 514.A O no hydrogen 3.410 N/A VAL 519.A N TYR 515.A O no hydrogen 3.092 N/A GLY 520.A N LEU 516.A O no hydrogen 2.893 N/A ARG 521.A NE GLU 350.A OE2 no hydrogen 2.898 N/A ARG 521.A NH2 GLU 350.A OE2 no hydrogen 3.517 N/A VAL 522.A N VAL 348.A O no hydrogen 2.980 N/A ARG 523.A NE.A GLU 350.A OE1 no hydrogen 2.865 N/A ARG 523.A NH2.A GLU 350.A OE2 no hydrogen 2.776 N/A GLU 527.A N TYR 360.A OH no hydrogen 2.895 N/A ASN 529.A ND2 LEU 454.A O no hydrogen 2.705 N/A LYS 531.A N TYR 456.A O no hydrogen 2.960 N/A ILE 533.A N LEU 458.A O no hydrogen 2.774 N/A ARG 535.A NE ALA 36.A O no hydrogen 3.347 N/A ARG 535.A NH1 ASP 461.A OD2 no hydrogen 3.124 N/A ARG 535.A NH1 GLY 534.A O no hydrogen 3.259 N/A ARG 535.A NH2 ALA 36.A O no hydrogen 2.642 N/A ARG 535.A NH2 ASP 461.A OD1 no hydrogen 3.362 N/A ARG 535.A NH2 ASP 461.A OD2 no hydrogen 2.933 N/A TYR 537.A OH ASP 357.A OD2 no hydrogen 2.668 N/A ARG 538.A N ASN 33.A OD1 no hydrogen 2.922 N/A ARG 538.A NH1 GLU 50.A OE1 no hydrogen 2.967 N/A ARG 538.A NH2 GLU 50.A OE2 no hydrogen 3.200 N/A THR 543.A N GLU 541.A OE1 no hydrogen 3.081 N/A THR 543.A OG1 GLU 541.A OE1 no hydrogen 2.562 N/A