Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5fh2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 7.A N GLN 2.A OE1 no hydrogen 2.980 N/A ASP 8.A N GLN 2.A OE1 no hydrogen 3.056 N/A PHE 9.A N GLU 30.A OE2 no hydrogen 2.823 N/A SER 10.A N ASP 8.A OD1 no hydrogen 3.000 N/A SER 10.A OG ASP 8.A OD1 no hydrogen 2.688 N/A LYS 12.A N PHE 9.A O no hydrogen 2.950 N/A VAL 13.A N SER 10.A O no hydrogen 3.242 N/A ILE 14.A N ILE 41.A O no hydrogen 2.833 N/A GLN 15.A NE2 ILE 43.A O no hydrogen 2.991 N/A GLN 15.A NE2 GLU 50.A OE2 no hydrogen 2.781 N/A SER 20.A N SER 17.A O no hydrogen 3.264 N/A SER 20.A OG SER 17.A O no hydrogen 2.979 N/A LEU 21.A N LEU 18.A O no hydrogen 3.267 N/A ARG 26.A N PRO 22.A O no hydrogen 2.937 N/A ARG 26.A NE GLU 30.A OE1 no hydrogen 3.004 N/A ARG 26.A NH2 GLU 30.A OE1 no hydrogen 3.394 N/A ARG 26.A NH2 GLU 30.A OE2 no hydrogen 3.076 N/A LYS 27.A N GLN 23.A O no hydrogen 3.036 N/A PHE 28.A N GLU 24.A O no hydrogen 3.108 N/A VAL 29.A N VAL 25.A O no hydrogen 2.864 N/A GLU 30.A N ARG 26.A O no hydrogen 2.768 N/A GLY 31.A N LYS 27.A O no hydrogen 2.914 N/A ASN 32.A N PHE 28.A O no hydrogen 3.188 N/A ASN 32.A ND2 PHE 28.A O no hydrogen 3.036 N/A ALA 33.A N VAL 29.A O no hydrogen 2.903 N/A GLN 34.A N GLU 30.A O no hydrogen 2.915 N/A GLN 34.A NE2 LEU 7.A O no hydrogen 2.879 N/A LEU 35.A N GLY 31.A O no hydrogen 3.112 N/A CYS 36.A N ASN 32.A O no hydrogen 2.811 N/A CYS 36.A SG PHE 128.A O no hydrogen 3.935 N/A GLN 37.A N ALA 33.A O no hydrogen 2.810 N/A GLN 37.A NE2 GLN 34.A O no hydrogen 2.705 N/A GLU 39.A N ARG 135.A O no hydrogen 2.804 N/A ILE 41.A N LYS 12.A O no hydrogen 2.865 N/A HIS 42.A N MET 137.A O no hydrogen 2.878 N/A HIS 42.A NE2 GLU 50.A OE2 no hydrogen 2.814 N/A ILE 43.A N GLN 15.A O no hydrogen 2.984 N/A CYS 44.A N VAL 139.A O no hydrogen 2.843 N/A CYS 44.A SG VAL 139.A O no hydrogen 3.396 N/A ASP 45.A N GLU 50.A OE2 no hydrogen 2.980 N/A GLY 46.A N GLU 50.A OE1 no hydrogen 2.872 N/A SER 47.A N ASP 45.A OD1 no hydrogen 2.861 N/A SER 47.A OG ASP 45.A OD1 no hydrogen 2.691 N/A SER 47.A OG ASP 45.A OD2 no hydrogen 3.488 N/A GLU 50.A N SER 47.A OG no hydrogen 3.044 N/A TYR 51.A N SER 47.A O no hydrogen 3.149 N/A GLY 52.A N GLU 48.A O no hydrogen 2.858 N/A ARG 53.A N GLU 49.A O no hydrogen 2.997 N/A LEU 54.A N GLU 50.A O no hydrogen 2.991 N/A LEU 55.A N TYR 51.A O no hydrogen 2.992 N/A ALA 56.A N GLY 52.A O no hydrogen 2.994 N/A HIS 57.A N ARG 53.A O no hydrogen 2.971 N/A MET 58.A N LEU 54.A O no hydrogen 2.918 N/A GLN 59.A N LEU 55.A O no hydrogen 2.880 N/A GLU 60.A N ALA 56.A O no hydrogen 2.942 N/A GLU 61.A N HIS 57.A O no hydrogen 3.073 N/A GLY 62.A N GLN 59.A O no hydrogen 3.062 N/A VAL 63.A N MET 58.A O no hydrogen 2.925 N/A ILE 64.A N MET 58.A O no hydrogen 3.403 N/A ARG 65.A N LEU 75.A O no hydrogen 2.883 N/A ARG 65.A NE GLU 360.A OE1 no hydrogen 2.887 N/A ARG 65.A NH2 GLU 360.A OE2 no hydrogen 3.143 N/A LEU 67.A N CYS 73.A O no hydrogen 2.872 N/A LYS 69.A N GLY 364.A O no hydrogen 2.993 N/A LYS 69.A NZ ASP 363.A OD2 no hydrogen 2.633 N/A TYR 70.A N LEU 67.A O no hydrogen 3.143 N/A ASP 71.A N GLN 350.A O no hydrogen 3.345 N/A ASN 72.A ND2 ASN 352.A OD1 no hydrogen 2.885 N/A CYS 73.A SG ASP 71.A O no hydrogen 3.660 N/A CYS 73.A SG ILE 349.A O no hydrogen 3.707 N/A TRP 74.A N THR 353.A O no hydrogen 3.008 N/A TRP 74.A NE1 ASN 72.A OD1 no hydrogen 3.003 N/A LEU 75.A N ARG 65.A O no hydrogen 2.833 N/A ALA 76.A N PHE 355.A O no hydrogen 2.850 N/A THR 78.A N ASN 357.A OD1 no hydrogen 2.819 N/A THR 78.A OG1 ASP 79.A O no hydrogen 2.948 N/A ARG 81.A N ASP 79.A OD1 no hydrogen 3.043 N/A ARG 81.A NE ASP 79.A OD1 no hydrogen 3.284 N/A ARG 81.A NE ASP 79.A OD2 no hydrogen 3.252 N/A ARG 81.A NH2 ASP 79.A OD2 no hydrogen 2.775 N/A ASP 82.A N ASP 79.A O no hydrogen 2.930 N/A VAL 83.A N PRO 80.A O no hydrogen 3.345 N/A GLN 87.A NE2 PRO 475.A O no hydrogen 2.869 N/A LYS 89.A N ILE 86.A O no hydrogen 2.904 N/A THR 90.A N GLN 87.A O no hydrogen 3.062 N/A THR 90.A OG1 ILE 86.A O no hydrogen 2.895 N/A VAL 91.A N ILE 217.A O no hydrogen 2.824 N/A ILE 92.A N ARG 113.A O no hydrogen 2.987 N/A ILE 93.A N HIS 219.A O no hydrogen 2.858 N/A THR 94.A OG1 GLU 96.A O no hydrogen 2.786 N/A THR 94.A OG1 THR 100.A OG1 no hydrogen 2.826 N/A GLN 95.A NE2 GLU 96.A OE2 no hydrogen 3.443 N/A ARG 98.A NE ASP 594.A OD1 no hydrogen 3.196 N/A ARG 98.A NE ASP 594.A OD2 no hydrogen 3.307 N/A ARG 98.A NH2 ASP 594.A OD1 no hydrogen 2.644 N/A ASP 99.A N GLU 96.A O no hydrogen 3.144 N/A THR 100.A N GLN 97.A O no hydrogen 2.874 N/A THR 100.A OG1 THR 94.A OG1 no hydrogen 2.826 N/A VAL 101.A N GLN 97.A O no hydrogen 3.064 N/A LYS 105.A N ASP 589.A O no hydrogen 2.846 N/A SER 106.A N ASP 589.A OD1 no hydrogen 2.988 N/A SER 106.A OG.A ASP 589.A OD1 no hydrogen 3.060 N/A GLY 107.A N ASP 589.A OD1 no hydrogen 2.998 N/A GLN 110.A N GLN 590.A OE1 no hydrogen 2.729 N/A LEU 111.A N SER 109.A OG no hydrogen 3.012 N/A TRP 114.A NE1 THR 94.A O no hydrogen 2.912 N/A MET 115.A N ILE 92.A O no hydrogen 3.010 N/A SER 116.A OG ASP 119.A OD2 no hydrogen 3.020 N/A ASP 119.A N SER 116.A OG no hydrogen 3.062 N/A PHE 120.A N SER 116.A O no hydrogen 2.889 N/A GLU 121.A N GLU 117.A O no hydrogen 2.868 N/A LYS 122.A N GLU 118.A O no hydrogen 3.215 N/A LYS 122.A NZ GLU 118.A OE2 no hydrogen 3.548 N/A ALA 123.A N ASP 119.A O no hydrogen 2.967 N/A PHE 124.A N PHE 120.A O no hydrogen 2.741 N/A ASN 125.A N GLU 121.A O no hydrogen 2.939 N/A ALA 126.A N LYS 122.A O no hydrogen 3.168 N/A ALA 126.A N ALA 123.A O no hydrogen 3.223 N/A ARG 127.A N PHE 124.A O no hydrogen 3.026 N/A ARG 127.A NE LEU 214.A O no hydrogen 2.801 N/A ARG 127.A NH1 ALA 123.A O no hydrogen 2.952 N/A PHE 128.A N PHE 124.A O no hydrogen 2.998 N/A GLY 130.A N LEU 35.A O no hydrogen 2.838 N/A CYS 131.A N PHE 128.A O no hydrogen 2.983 N/A CYS 131.A SG PHE 128.A O no hydrogen 3.268 N/A CYS 131.A SG SER 193.A OG no hydrogen 3.343 N/A MET 132.A N CYS 36.A O no hydrogen 2.934 N/A LYS 133.A N GLY 130.A O no hydrogen 3.195 N/A ARG 135.A N MET 132.A O no hydrogen 2.890 N/A ARG 135.A NE CYS 196.A O no hydrogen 3.048 N/A ARG 135.A NH2 CYS 196.A O no hydrogen 2.757 N/A MET 137.A N TYR 40.A O no hydrogen 2.845 N/A TYR 138.A N THR 159.A O no hydrogen 2.755 N/A VAL 139.A N HIS 42.A O no hydrogen 2.831 N/A ILE 140.A N GLU 157.A O no hydrogen 2.788 N/A PHE 142.A N GLY 155.A O no hydrogen 2.938 N/A SER 143.A N ARG 173.A O no hydrogen 2.824 N/A SER 143.A OG GLY 145.A O no hydrogen 2.879 N/A MET 144.A N LYS 153.A O no hydrogen 2.800 N/A SER 149.A N PRO 146.A O no hydrogen 2.937 N/A SER 149.A OG PRO 421.A O no hydrogen 2.592 N/A LEU 151.A N SER 149.A OG no hydrogen 3.009 N/A ALA 152.A N SER 149.A O no hydrogen 3.031 N/A LYS 153.A N MET 144.A O no hydrogen 3.094 N/A LYS 153.A NZ GLU 256.A OE1 no hydrogen 2.827 N/A LYS 153.A NZ GLU 256.A OE2 no hydrogen 3.566 N/A GLY 155.A N PHE 142.A O no hydrogen 2.814 N/A ILE 156.A N ILE 188.A O no hydrogen 3.010 N/A GLU 157.A N ILE 140.A O no hydrogen 2.888 N/A LEU 158.A N CYS 190.A O no hydrogen 2.835 N/A THR 159.A N TYR 138.A O no hydrogen 3.041 N/A THR 159.A OG1 HIS 192.A ND1 no hydrogen 2.801 N/A SER 161.A N THR 159.A OG1 no hydrogen 3.017 N/A TYR 163.A OH THR 356.A OG1 no hydrogen 2.651 N/A VAL 164.A N SER 161.A OG no hydrogen 3.147 N/A VAL 165.A N SER 161.A O no hydrogen 3.213 N/A ALA 166.A N PRO 162.A O no hydrogen 2.987 N/A SER 167.A N TYR 163.A O no hydrogen 2.971 N/A SER 167.A OG TYR 163.A O no hydrogen 2.997 N/A MET 168.A N VAL 164.A O no hydrogen 2.784 N/A ARG 169.A N VAL 165.A O no hydrogen 3.028 N/A ARG 169.A NE GLY 46.A O no hydrogen 3.048 N/A ARG 169.A NH2 GLY 46.A O no hydrogen 2.985 N/A ILE 170.A N SER 167.A O no hydrogen 3.199 N/A MET 171.A N SER 167.A O no hydrogen 2.902 N/A THR 172.A N MET 168.A O no hydrogen 2.984 N/A THR 172.A OG1 MET 168.A O no hydrogen 2.806 N/A ARG 173.A N SER 143.A O no hydrogen 3.330 N/A ARG 173.A NH1 GLU 327.A O no hydrogen 2.986 N/A ARG 173.A NH2 GLU 419.A OE1 no hydrogen 3.001 N/A GLY 175.A N PRO 141.A O no hydrogen 2.921 N/A THR 176.A N ASP 45.A O no hydrogen 3.024 N/A VAL 178.A N GLY 175.A O no hydrogen 3.083 N/A GLU 180.A N THR 176.A O no hydrogen 3.146 N/A ALA 181.A N SER 177.A O no hydrogen 2.940 N/A LEU 182.A N VAL 178.A O no hydrogen 2.803 N/A GLY 183.A N LEU 179.A O no hydrogen 3.214 N/A GLY 185.A N LEU 182.A O no hydrogen 3.029 N/A ILE 188.A N ILE 154.A O no hydrogen 2.945 N/A LYS 189.A N ARG 224.A O no hydrogen 2.977 N/A CYS 190.A N ILE 156.A O no hydrogen 2.884 N/A CYS 190.A SG ILE 188.A O no hydrogen 3.719 N/A LEU 191.A N ILE 226.A O no hydrogen 2.832 N/A HIS 192.A N LEU 158.A O no hydrogen 2.835 N/A HIS 192.A ND1 THR 159.A OG1 no hydrogen 2.801 N/A HIS 192.A NE2 SER 231.A O no hydrogen 2.827 N/A SER 193.A N SER 228.A O no hydrogen 3.116 N/A SER 193.A OG ASP 160.A OD2 no hydrogen 2.777 N/A VAL 194.A N ASP 160.A OD1 no hydrogen 2.964 N/A GLY 195.A N SER 193.A OG no hydrogen 2.988 N/A CYS 196.A SG VAL 194.A O no hydrogen 3.849 N/A CYS 196.A SG CYS 210.A O no hydrogen 3.050 N/A LEU 198.A N LYS 133.A O no hydrogen 2.883 N/A LYS 201.A NZ PRO 199.A O no hydrogen 3.524 N/A ASN 206.A ND2 THR 78.A O no hydrogen 3.275 N/A TRP 208.A N VAL 205.A O no hydrogen 3.051 N/A TRP 208.A NE1 ASP 82.A OD2 no hydrogen 2.771 N/A CYS 210.A SG ASP 79.A OD2 no hydrogen 3.536 N/A CYS 210.A SG TRP 208.A O no hydrogen 3.905 N/A ASN 211.A N GLY 230.A O no hydrogen 2.742 N/A ASN 211.A ND2 GLY 195.A O no hydrogen 2.996 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.748 N/A LEU 214.A N ASN 211.A O no hydrogen 3.184 N/A THR 215.A N PRO 212.A O no hydrogen 3.148 N/A THR 215.A OG1 ASN 211.A O no hydrogen 2.804 N/A THR 215.A OG1 PRO 212.A O no hydrogen 3.480 N/A LEU 216.A N PHE 229.A O no hydrogen 2.959 N/A ILE 217.A N LYS 89.A O no hydrogen 2.850 N/A ALA 218.A N ILE 227.A O no hydrogen 2.846 N/A HIS 219.A N VAL 91.A O no hydrogen 2.959 N/A HIS 219.A ND1 VAL 91.A O no hydrogen 2.846 N/A LEU 220.A N GLU 225.A O no hydrogen 2.797 N/A ARG 223.A N LEU 220.A O no hydrogen 3.013 N/A ARG 223.A NE GLU 225.A OE1 no hydrogen 3.372 N/A ARG 224.A N PRO 221.A O no hydrogen 3.162 N/A ARG 224.A NH1 PRO 221.A O no hydrogen 3.115 N/A ARG 224.A NH1 GLU 255.A OE2 no hydrogen 2.987 N/A ARG 224.A NH2 GLU 255.A OE1 no hydrogen 2.910 N/A GLU 225.A N LEU 220.A O no hydrogen 3.175 N/A ILE 226.A N LYS 189.A O no hydrogen 2.810 N/A ILE 227.A N ALA 218.A O no hydrogen 2.906 N/A SER 228.A N LEU 191.A O no hydrogen 2.788 N/A SER 228.A OG ASN 236.A O no hydrogen 2.621 N/A PHE 229.A N LEU 216.A O no hydrogen 2.845 N/A GLY 230.A N SER 193.A O no hydrogen 2.790 N/A SER 231.A OG ASP 82.A OD1 no hydrogen 2.600 N/A SER 231.A OG ASP 82.A OD2 no hydrogen 3.509 N/A GLY 232.A N ASP 82.A OD2 no hydrogen 2.770 N/A TYR 233.A N SER 231.A OG no hydrogen 3.203 N/A ASN 236.A N TYR 233.A O no hydrogen 2.935 N/A ASN 236.A ND2 SER 231.A OG no hydrogen 2.984 N/A SER 237.A N GLY 234.A O no hydrogen 3.062 N/A SER 237.A OG GLY 232.A O no hydrogen 2.817 N/A SER 237.A OG GLY 234.A O no hydrogen 3.445 N/A LEU 238.A N GLY 234.A O no hydrogen 2.848 N/A LEU 239.A N GLU 157.A OE1 no hydrogen 3.095 N/A LYS 241.A N LEU 238.A O no hydrogen 3.032 N/A LYS 241.A NZ LYS 241.A O no hydrogen 2.879 N/A LYS 241.A NZ ASP 309.A OD2 no hydrogen 2.715 N/A LYS 241.A NZ GLU 327.A OE1 no hydrogen 3.276 N/A LYS 241.A NZ GLU 327.A OE2 no hydrogen 2.700 N/A LYS 242.A NZ ASP 309.A OD1 no hydrogen 3.318 N/A LYS 242.A NZ ASP 309.A OD2 no hydrogen 2.907 N/A CYS 243.A SG HIS 219.A NE2 no hydrogen 3.340 N/A CYS 243.A SG GLY 235.A O no hydrogen 3.438 N/A PHE 244.A N LEU 239.A O no hydrogen 3.009 N/A ALA 245.A N GLY 240.A O no hydrogen 2.958 N/A LEU 246.A N LYS 242.A O no hydrogen 2.958 N/A ARG 247.A N LYS 242.A O no hydrogen 3.053 N/A ARG 247.A NE PRO 475.A O no hydrogen 3.065 N/A ARG 247.A NH1 HIS 219.A NE2 no hydrogen 3.211 N/A ARG 247.A NH2 PRO 475.A O no hydrogen 2.914 N/A ILE 248.A N CYS 243.A O no hydrogen 2.882 N/A ALA 249.A N PHE 244.A O no hydrogen 2.932 N/A SER 250.A N LEU 246.A O no hydrogen 2.870 N/A SER 250.A OG LEU 246.A O no hydrogen 2.806 N/A SER 250.A OG ARG 247.A O no hydrogen 3.156 N/A ARG 251.A NE GLU 255.A OE2 no hydrogen 2.831 N/A ARG 251.A NH1 ASP 222.A OD1 no hydrogen 3.092 N/A ARG 251.A NH1 ASP 222.A OD2 no hydrogen 3.550 N/A ARG 251.A NH2 ASP 222.A OD1 no hydrogen 2.819 N/A ARG 251.A NH2 GLU 255.A OE2 no hydrogen 2.908 N/A LEU 252.A N ILE 248.A O no hydrogen 3.008 N/A ALA 253.A N ALA 249.A O no hydrogen 2.766 N/A LYS 254.A N SER 250.A O no hydrogen 2.975 N/A GLU 255.A N ARG 251.A O no hydrogen 3.051 N/A GLU 256.A N LEU 252.A O no hydrogen 2.913 N/A GLY 257.A N ALA 253.A O no hydrogen 2.887 N/A TRP 258.A N ALA 253.A O no hydrogen 2.992 N/A TRP 258.A NE1 GLU 256.A OE1 no hydrogen 2.887 N/A LEU 259.A N MET 313.A O no hydrogen 2.774 N/A GLU 261.A N ALA 311.A O no hydrogen 2.874 N/A HIS 262.A ND1 ALA 472.A O no hydrogen 2.845 N/A LEU 264.A N ALA 280.A O no hydrogen 3.003 N/A ILE 265.A N GLY 307.A O no hydrogen 2.977 N/A LEU 266.A N LEU 278.A O no hydrogen 2.892 N/A GLY 267.A N GLU 304.A O no hydrogen 2.844 N/A ILE 268.A N LYS 276.A O no hydrogen 2.879 N/A THR 269.A N LYS 302.A O no hydrogen 2.845 N/A ASN 270.A N LYS 274.A O no hydrogen 2.919 N/A GLU 272.A N ASN 270.A OD1 no hydrogen 2.912 N/A GLY 273.A N ASN 270.A O no hydrogen 3.043 N/A LYS 274.A N ASN 270.A OD1 no hydrogen 2.918 N/A LYS 274.A NZ GLU 536.A OE1.B no hydrogen 2.567 N/A LYS 274.A NZ GLU 536.A OE2.A no hydrogen 3.046 N/A LYS 274.A NZ GLU 536.A OE2.B no hydrogen 2.743 N/A LYS 275.A NZ TYR 277.A OH no hydrogen 3.158 N/A LYS 275.A NZ GLU 304.A OE1 no hydrogen 3.170 N/A LYS 275.A NZ ASP 415.A OD1 no hydrogen 2.741 N/A LYS 276.A N ILE 268.A O no hydrogen 2.875 N/A LYS 276.A NZ GLU 427.A OE1 no hydrogen 2.754 N/A LYS 276.A NZ GLU 536.A OE2.B no hydrogen 2.561 N/A TYR 277.A OH ASP 415.A OD2 no hydrogen 2.645 N/A LEU 278.A N LEU 266.A O no hydrogen 2.886 N/A ALA 279.A N GLY 428.A O no hydrogen 2.976 N/A ALA 280.A N LEU 264.A O no hydrogen 3.040 N/A ALA 281.A N ILE 430.A O no hydrogen 2.829 N/A CYS 286.A N PRO 283.A O no hydrogen 3.084 N/A CYS 286.A SG SER 284.A O no hydrogen 3.592 N/A CYS 286.A SG SER 460.A OG no hydrogen 3.390 N/A LYS 288.A NZ HIS 262.A NE2 no hydrogen 3.244 N/A LYS 288.A NZ PHE 282.A O no hydrogen 2.810 N/A THR 289.A OG1 ASP 308.A OD2 no hydrogen 2.629 N/A ASN 290.A ND2 THR 341.A O no hydrogen 2.944 N/A LEU 291.A N GLY 287.A O no hydrogen 3.130 N/A ALA 292.A N LYS 288.A O no hydrogen 2.879 N/A MET 293.A N THR 289.A O no hydrogen 3.206 N/A MET 294.A N LEU 291.A O no hydrogen 3.208 N/A THR 297.A N GLY 522.A O no hydrogen 3.215 N/A THR 297.A OG1 GLY 522.A O no hydrogen 3.312 N/A THR 297.A OG1 GLU 523.A OE1 no hydrogen 2.776 N/A THR 297.A OG1 SER 525.A OG no hydrogen 3.390 N/A TRP 301.A N LEU 298.A O no hydrogen 3.434 N/A LYS 302.A N THR 269.A O no hydrogen 3.033 N/A GLU 304.A N GLY 267.A O no hydrogen 2.819 N/A CYS 305.A N ILE 413.A O no hydrogen 2.872 N/A VAL 306.A N ILE 265.A O no hydrogen 2.895 N/A GLY 307.A N ILE 265.A O no hydrogen 3.113 N/A ALA 311.A N GLU 261.A O no hydrogen 2.926 N/A TRP 312.A N ILE 324.A O no hydrogen 2.989 N/A TRP 312.A NE1 ALA 245.A O no hydrogen 2.878 N/A MET 313.A N LEU 259.A O no hydrogen 2.846 N/A LYS 314.A N ARG 322.A O no hydrogen 2.855 N/A ASP 316.A N ASN 320.A O no hydrogen 2.905 N/A GLN 318.A N ASP 316.A OD1 no hydrogen 2.913 N/A GLY 319.A N ASP 316.A O no hydrogen 2.968 N/A ASN 320.A N ASP 316.A OD1 no hydrogen 3.060 N/A ARG 322.A N LYS 314.A O no hydrogen 2.971 N/A ARG 322.A NE GLU 422.A O no hydrogen 2.781 N/A ARG 322.A NH1 ASP 316.A OD2 no hydrogen 3.489 N/A ARG 322.A NH2 GLY 423.A O no hydrogen 2.894 N/A ALA 323.A N VAL 424.A O no hydrogen 2.813 N/A ILE 324.A N TRP 312.A O no hydrogen 2.849 N/A ASN 325.A ND2 VAL 306.A O no hydrogen 2.922 N/A GLU 327.A N ASN 325.A OD1 no hydrogen 2.899 N/A ASN 328.A N MET 171.A O no hydrogen 2.873 N/A ASN 328.A ND2 THR 172.A O no hydrogen 3.007 N/A PHE 330.A N THR 406.A O no hydrogen 2.879 N/A GLY 332.A N PHE 404.A O no hydrogen 2.889 N/A ALA 334.A N SER 402.A O no hydrogen 2.879 N/A GLY 336.A N GLU 369.A O no hydrogen 2.868 N/A THR 337.A N ALA 334.A O no hydrogen 2.895 N/A THR 337.A OG1 VAL 333.A O no hydrogen 2.991 N/A THR 337.A OG1 ALA 334.A O no hydrogen 2.987 N/A SER 338.A N THR 341.A OG1 no hydrogen 2.959 N/A SER 338.A OG THR 341.A OG1 no hydrogen 3.413 N/A LYS 340.A NZ ASP 372.A OD2 no hydrogen 3.501 N/A THR 341.A N SER 338.A OG no hydrogen 3.032 N/A THR 341.A OG1 GLY 336.A O no hydrogen 2.676 N/A THR 341.A OG1 SER 338.A OG no hydrogen 3.413 N/A ASN 342.A N SER 338.A O no hydrogen 2.804 N/A ASN 344.A ND2 MET 293.A O no hydrogen 2.961 N/A ALA 345.A N ASN 342.A OD1 no hydrogen 3.116 N/A ILE 346.A N ASN 342.A O no hydrogen 3.170 N/A LYS 347.A N PRO 343.A O no hydrogen 3.182 N/A THR 348.A N ASN 344.A O no hydrogen 3.125 N/A THR 348.A OG1 ASN 344.A O no hydrogen 2.706 N/A ILE 349.A N ALA 345.A O no hydrogen 3.188 N/A GLN 350.A NE2 ILE 346.A O no hydrogen 2.992 N/A ASN 352.A N ASP 71.A O no hydrogen 2.872 N/A ASN 352.A ND2 GLN 410.A OE1 no hydrogen 2.819 N/A THR 353.A OG1 LYS 351.A O no hydrogen 2.781 N/A THR 353.A OG1 THR 406.A OG1 no hydrogen 2.762 N/A ILE 354.A N CYS 405.A O no hydrogen 3.018 N/A PHE 355.A N TRP 74.A O no hydrogen 2.734 N/A THR 356.A N ARG 403.A O no hydrogen 2.839 N/A THR 356.A OG1 TYR 163.A OH no hydrogen 2.651 N/A ASN 357.A N ALA 76.A O no hydrogen 2.894 N/A ASN 357.A ND2 THR 78.A OG1 no hydrogen 3.049 N/A ALA 359.A N TYR 367.A O no hydrogen 2.912 N/A GLU 360.A N THR 382.A O no hydrogen 2.904 N/A THR 361.A N GLY 365.A O no hydrogen 2.913 N/A THR 361.A OG1 ASP 363.A OD1 no hydrogen 2.539 N/A SER 362.A N THR 380.A O no hydrogen 2.679 N/A GLY 364.A N THR 361.A O no hydrogen 2.714 N/A GLY 365.A N THR 361.A OG1 no hydrogen 2.912 N/A VAL 366.A N TYR 70.A OH no hydrogen 3.250 N/A TYR 367.A N ALA 359.A O no hydrogen 2.906 N/A TYR 367.A OH GLU 373.A O no hydrogen 2.850 N/A TRP 368.A NE1 THR 337.A O no hydrogen 2.857 N/A ILE 371.A N TRP 368.A O no hydrogen 3.106 N/A VAL 379.A N ALA 376.A O no hydrogen 3.150 N/A THR 380.A N SER 362.A OG no hydrogen 3.014 N/A THR 382.A N GLU 360.A O no hydrogen 2.748 N/A THR 382.A OG1 GLU 388.A OE2 no hydrogen 3.035 N/A SER 383.A N LYS 387.A O no hydrogen 2.745 N/A SER 383.A OG LYS 387.A O no hydrogen 3.380 N/A TRP 384.A N CYS 397.A O no hydrogen 2.841 N/A LYS 385.A N SER 383.A OG no hydrogen 3.112 N/A ASN 386.A N SER 383.A O no hydrogen 2.950 N/A LYS 387.A N SER 383.A OG no hydrogen 3.401 N/A TRP 389.A N ILE 381.A O no hydrogen 3.000 N/A TRP 389.A NE1 GLU 395.A O no hydrogen 2.724 N/A ARG 390.A N ASP 393.A OD2 no hydrogen 3.184 N/A ASP 393.A N ARG 390.A O no hydrogen 2.921 N/A CYS 397.A N GLU 369.A OE2 no hydrogen 2.848 N/A CYS 397.A SG GLU 369.A OE1 no hydrogen 3.673 N/A CYS 397.A SG GLU 369.A OE2 no hydrogen 3.488 N/A ALA 398.A N GLU 369.A OE1 no hydrogen 3.085 N/A HIS 399.A N ASN 357.A O no hydrogen 2.988 N/A ASN 401.A N HIS 399.A ND1 no hydrogen 3.059 N/A SER 402.A N HIS 399.A O no hydrogen 2.959 N/A SER 402.A OG HIS 399.A O no hydrogen 2.722 N/A ARG 403.A N THR 356.A O no hydrogen 3.121 N/A ARG 403.A NH1 PHE 331.A O no hydrogen 2.790 N/A ARG 403.A NH2 ASN 401.A OD1 no hydrogen 2.955 N/A PHE 404.A N GLY 332.A O no hydrogen 2.837 N/A CYS 405.A N ILE 354.A O no hydrogen 2.770 N/A CYS 405.A SG SER 167.A O no hydrogen 3.991 N/A THR 406.A N PHE 330.A O no hydrogen 2.988 N/A THR 406.A OG1 THR 348.A O no hydrogen 3.467 N/A THR 406.A OG1 THR 353.A OG1 no hydrogen 2.762 N/A ALA 408.A N ASN 328.A O no hydrogen 3.075 N/A GLN 410.A N PRO 407.A O no hydrogen 3.228 N/A GLN 410.A NE2 THR 348.A O no hydrogen 2.994 N/A GLN 410.A NE2 LYS 351.A O no hydrogen 2.843 N/A CYS 411.A N ALA 408.A O no hydrogen 3.037 N/A ILE 414.A N CYS 411.A O no hydrogen 3.083 N/A ASP 415.A N CYS 305.A O no hydrogen 2.855 N/A ALA 417.A N ASP 415.A OD2 no hydrogen 2.906 N/A TRP 418.A N ASP 415.A O no hydrogen 2.956 N/A SER 420.A N ALA 417.A O no hydrogen 3.075 N/A SER 420.A OG ALA 417.A O no hydrogen 3.506 N/A GLU 422.A N GLU 422.A OE1 no hydrogen 2.718 N/A GLY 423.A N SER 420.A O no hydrogen 3.069 N/A VAL 424.A N ALA 323.A O no hydrogen 2.855 N/A ILE 426.A N LEU 321.A O no hydrogen 2.771 N/A GLU 427.A N TYR 277.A O no hydrogen 2.960 N/A ILE 429.A N LYS 501.A O no hydrogen 2.865 N/A ILE 430.A N ALA 279.A O no hydrogen 2.818 N/A PHE 431.A N PHE 503.A O no hydrogen 2.866 N/A ARG 434.A N SER 460.A OG no hydrogen 2.777 N/A ARG 434.A NE ALA 285.A O no hydrogen 2.786 N/A ARG 434.A NH1 ALA 285.A O no hydrogen 2.929 N/A ARG 435.A N ASN 506.A OD1 no hydrogen 3.273 N/A ARG 435.A NH1 GLU 579.A OE2 no hydrogen 2.850 N/A ARG 435.A NH2 GLU 579.A OE1 no hydrogen 2.850 N/A ARG 435.A NH2 GLU 579.A OE2 no hydrogen 3.515 N/A VAL 439.A N ALA 437.A O no hydrogen 2.991 N/A TYR 443.A N HIS 504.A O no hydrogen 2.951 N/A GLU 444.A N TYR 548.A O no hydrogen 2.747 N/A ALA 445.A N ILE 502.A O no hydrogen 2.833 N/A LEU 446.A N HIS 450.A ND1 no hydrogen 2.958 N/A SER 447.A OG GLN 449.A OE1 no hydrogen 3.466 N/A TRP 448.A NE1 TRP 488.A O no hydrogen 2.968 N/A HIS 450.A N SER 447.A OG no hydrogen 2.996 N/A GLY 451.A N SER 447.A O no hydrogen 2.867 N/A VAL 452.A N TRP 448.A O no hydrogen 2.867 N/A PHE 453.A N GLN 449.A O no hydrogen 3.056 N/A VAL 454.A N HIS 450.A O no hydrogen 2.776 N/A GLY 455.A N GLY 451.A O no hydrogen 3.016 N/A ALA 456.A N VAL 452.A O no hydrogen 2.890 N/A ALA 457.A N PHE 453.A O no hydrogen 2.858 N/A ALA 457.A N VAL 454.A O no hydrogen 3.272 N/A MET 458.A N GLY 455.A O no hydrogen 3.313 N/A ARG 459.A NH1 GLU 579.A OE2 no hydrogen 3.023 N/A SER 460.A N MET 467.A O no hydrogen 2.862 N/A GLU 461.A N ARG 434.A O no hydrogen 2.865 N/A ALA 462.A N VAL 465.A O no hydrogen 2.712 N/A MET 467.A N SER 460.A O no hydrogen 2.938 N/A HIS 468.A NE2 GLU 582.A OE1.A no hydrogen 2.651 N/A ASP 469.A N MET 458.A O no hydrogen 2.906 N/A PHE 471.A N GLY 455.A O no hydrogen 3.009 N/A ALA 472.A N ASP 469.A O no hydrogen 3.014 N/A MET 473.A N PRO 470.A O no hydrogen 2.806 N/A ARG 474.A N ASP 469.A OD1 no hydrogen 2.888 N/A ARG 474.A NH1 HIS 468.A O no hydrogen 3.216 N/A PHE 476.A N MET 473.A O no hydrogen 2.823 N/A GLY 478.A N SER 250.A OG no hydrogen 2.861 N/A ASN 480.A N ASP 99.A O no hydrogen 2.974 N/A ASN 480.A ND2 ARG 98.A O no hydrogen 2.822 N/A ASN 480.A ND2 ASP 594.A OD2 no hydrogen 2.829 N/A LYS 483.A N ASN 480.A OD1 no hydrogen 3.074 N/A TYR 484.A N ASN 480.A O no hydrogen 2.930 N/A TYR 484.A OH GLU 261.A OE1 no hydrogen 2.560 N/A TYR 484.A OH GLU 261.A OE2 no hydrogen 3.392 N/A LEU 485.A N PHE 481.A O no hydrogen 2.971 N/A ALA 486.A N GLY 482.A O no hydrogen 3.017 N/A HIS 487.A N LYS 483.A O no hydrogen 2.858 N/A HIS 487.A NE2 TRP 258.A O no hydrogen 2.759 N/A TRP 488.A N TYR 484.A O no hydrogen 2.974 N/A TRP 488.A NE1 GLU 261.A OE2 no hydrogen 2.936 N/A LEU 489.A N LEU 485.A O no hydrogen 2.919 N/A SER 490.A N ALA 486.A O no hydrogen 2.883 N/A SER 490.A N HIS 487.A O no hydrogen 3.157 N/A SER 490.A OG HIS 487.A O no hydrogen 2.687 N/A MET 491.A N TRP 488.A O no hydrogen 3.116 N/A ALA 492.A N LEU 489.A O no hydrogen 3.158 N/A HIS 493.A N SER 490.A O no hydrogen 3.115 N/A ARG 494.A N MET 491.A O no hydrogen 3.349 N/A ALA 497.A N ARG 494.A O no hydrogen 3.482 N/A LYS 498.A N GLY 319.A O no hydrogen 2.797 N/A LYS 498.A NZ ASN 320.A OD1 no hydrogen 2.797 N/A LYS 501.A N GLU 427.A O no hydrogen 3.251 N/A LYS 501.A NZ GLU 444.A OE2 no hydrogen 2.805 N/A PHE 503.A N ILE 429.A O no hydrogen 2.905 N/A HIS 504.A N TYR 443.A O no hydrogen 2.876 N/A VAL 505.A N PHE 431.A O no hydrogen 2.796 N/A ASN 506.A N LEU 441.A O no hydrogen 2.866 N/A ASN 506.A ND2 ARG 435.A O no hydrogen 2.827 N/A ASN 506.A ND2 VAL 439.A O no hydrogen 2.900 N/A PHE 508.A N ASN 506.A OD1 no hydrogen 3.074 N/A ARG 509.A NH1 LEU 568.A O no hydrogen 3.037 N/A ARG 509.A NH1 GLY 570.A O no hydrogen 2.870 N/A ARG 509.A NH2 GLY 570.A O no hydrogen 3.151 N/A LYS 510.A N PRO 436.A O no hydrogen 2.811 N/A ASP 511.A N LYS 515.A O no hydrogen 2.848 N/A ASN 513.A N ASP 511.A OD1 no hydrogen 2.908 N/A GLY 514.A N ASP 511.A O no hydrogen 2.875 N/A LYS 515.A N ASP 511.A OD1 no hydrogen 2.978 N/A LEU 517.A N ARG 509.A O no hydrogen 2.969 N/A TRP 518.A NE1 ASN 524.A OD1 no hydrogen 2.723 N/A GLU 523.A N GLY 520.A O no hydrogen 3.023 N/A ASN 524.A N PHE 521.A O no hydrogen 2.858 N/A SER 525.A N GLY 522.A O no hydrogen 3.149 N/A SER 525.A OG THR 297.A OG1 no hydrogen 3.390 N/A SER 525.A OG GLY 522.A O no hydrogen 2.816 N/A ARG 526.A N GLU 523.A O no hydrogen 3.018 N/A ARG 526.A NE GLU 523.A OE1 no hydrogen 2.726 N/A ARG 526.A NH1 ASN 556.A O no hydrogen 2.861 N/A ARG 526.A NH1 LYS 558.A O no hydrogen 2.859 N/A ARG 526.A NH2 GLU 523.A OE1 no hydrogen 2.983 N/A ARG 526.A NH2 LYS 558.A O no hydrogen 2.892 N/A LEU 528.A N ASN 524.A O no hydrogen 3.031 N/A GLU 529.A N SER 525.A O no hydrogen 2.880 N/A TRP 530.A N ARG 526.A O no hydrogen 3.361 N/A TRP 530.A NE1 SER 540.A O no hydrogen 2.959 N/A MET 531.A N VAL 527.A O no hydrogen 3.011 N/A PHE 532.A N LEU 528.A O no hydrogen 2.872 N/A GLY 533.A N GLU 529.A O no hydrogen 3.085 N/A ARG 534.A N TRP 530.A O no hydrogen 2.946 N/A ARG 534.A NE GLU 444.A OE1 no hydrogen 2.657 N/A ARG 534.A NH1 GLU 538.A O no hydrogen 3.195 N/A ARG 534.A NH2 GLU 444.A OE1 no hydrogen 3.373 N/A ARG 534.A NH2 GLU 444.A OE2 no hydrogen 2.805 N/A ILE 535.A N MET 531.A O no hydrogen 2.971 N/A GLU 536.A N PHE 532.A O no hydrogen 3.083 N/A GLY 537.A N ARG 534.A O no hydrogen 3.015 N/A GLU 538.A N GLY 533.A O no hydrogen 2.941 N/A LYS 542.A N VAL 549.A O no hydrogen 2.815 N/A THR 544.A N GLY 547.A O no hydrogen 2.992 N/A THR 544.A OG1 GLY 547.A O no hydrogen 2.795 N/A ILE 546.A N THR 544.A OG1 no hydrogen 3.236 N/A GLY 547.A N THR 544.A O no hydrogen 3.212 N/A TYR 548.A N GLU 444.A O no hydrogen 2.946 N/A VAL 549.A N LYS 542.A O no hydrogen 2.924 N/A LYS 551.A N SER 540.A O no hydrogen 2.981 N/A LYS 551.A NZ ASP 539.A O no hydrogen 2.792 N/A ALA 554.A N LYS 551.A O no hydrogen 2.962 N/A LYS 558.A N ASN 556.A OD1 no hydrogen 2.966 N/A LEU 560.A N LEU 557.A O no hydrogen 2.902 N/A VAL 563.A N LEU 560.A O no hydrogen 3.206 N/A GLU 567.A N ASN 564.A OD1 no hydrogen 3.122 N/A LEU 568.A N ASN 564.A O no hydrogen 3.059 N/A PHE 569.A N VAL 565.A O no hydrogen 2.830 N/A GLY 570.A N GLU 567.A O no hydrogen 3.343 N/A LYS 573.A NZ MET 613.A O no hydrogen 3.157 N/A PHE 575.A N SER 572.A OG no hydrogen 3.149 N/A TRP 576.A N SER 572.A O no hydrogen 3.079 N/A TRP 576.A NE1 GLY 438.A O no hydrogen 3.190 N/A GLU 577.A N LYS 573.A O no hydrogen 2.817 N/A LYS 578.A N GLU 574.A O no hydrogen 3.304 N/A GLU 579.A N PHE 575.A O no hydrogen 2.915 N/A VAL 580.A N TRP 576.A O no hydrogen 2.907 N/A GLU 581.A N GLU 577.A O no hydrogen 3.223 N/A GLU 582.A N LYS 578.A O no hydrogen 2.985 N/A ILE 583.A N GLU 579.A O no hydrogen 2.950 N/A ASP 584.A N VAL 580.A O no hydrogen 2.848 N/A LYS 585.A N GLU 581.A O no hydrogen 2.995 N/A LYS 585.A NZ.A GLU 582.A OE2.B no hydrogen 2.811 N/A LYS 585.A NZ.B GLU 582.A OE1.B no hydrogen 2.433 N/A TYR 586.A N GLU 582.A O no hydrogen 3.048 N/A LEU 587.A N ILE 583.A O no hydrogen 2.853 N/A GLU 588.A N ASP 584.A O no hydrogen 2.933 N/A ASP 589.A N LYS 585.A O no hydrogen 3.041 N/A GLN 590.A N TYR 586.A O no hydrogen 2.849 N/A GLN 590.A NE2 GLN 108.A O no hydrogen 3.019 N/A GLN 590.A NE2 ASP 589.A OD2 no hydrogen 2.977 N/A VAL 591.A N LEU 587.A O no hydrogen 2.921 N/A ASN 592.A N LEU 587.A O no hydrogen 3.118 N/A ASN 592.A ND2 ILE 103.A O no hydrogen 3.033 N/A ASP 594.A N VAL 591.A O no hydrogen 3.012 N/A LEU 595.A N ASN 592.A O no hydrogen 3.238 N/A GLU 598.A N GLU 598.A OE1 no hydrogen 2.804 N/A ILE 599.A N PRO 596.A O no hydrogen 2.958 N/A GLU 600.A N PRO 596.A O no hydrogen 3.197 N/A ARG 601.A N TYR 597.A O no hydrogen 2.946 N/A GLU 602.A N GLU 598.A O no hydrogen 3.038 N/A LEU 603.A N ILE 599.A O no hydrogen 2.940 N/A ARG 604.A N GLU 600.A O no hydrogen 2.957 N/A ARG 604.A NE GLU 600.A OE1 no hydrogen 2.705 N/A ALA 605.A N ARG 601.A O no hydrogen 2.906 N/A LEU 606.A N GLU 602.A O no hydrogen 2.940 N/A LYS 607.A N LEU 603.A O no hydrogen 3.000 N/A GLN 608.A N ARG 604.A O no hydrogen 2.996 N/A ARG 609.A N ALA 605.A O no hydrogen 2.949 N/A ARG 609.A NE PRO 545.A O no hydrogen 2.752 N/A ARG 609.A NH2 PRO 545.A O no hydrogen 3.353 N/A ILE 610.A N LEU 606.A O no hydrogen 2.988 N/A SER 611.A N LYS 607.A O no hydrogen 2.875 N/A SER 611.A OG GLN 608.A O no hydrogen 2.642 N/A GLN 612.A N GLN 608.A O no hydrogen 3.303 N/A GLN 612.A N ARG 609.A O no hydrogen 3.300 N/A GLN 612.A NE2 SER 611.A OG no hydrogen 3.279 N/A MET 613.A N ILE 610.A O no hydrogen 3.070 N/A