Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hhx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N ARG 46.A O no hydrogen 2.928 N/A ALA 7.A N PHE 48.A O no hydrogen 3.113 N/A MET 14.A N THR 11.A O no hydrogen 2.878 N/A LEU 15.A N GLU 12.A O no hydrogen 2.789 N/A LYS 18.A NZ GLU 161.A OE1 no hydrogen 3.159 N/A LYS 18.A NZ GLU 161.A OE2 no hydrogen 3.030 N/A ALA 19.A N LYS 70.A O no hydrogen 3.098 N/A ALA 20.A N VAL 41.A O no hydrogen 2.821 N/A LEU 21.A N SER 72.A O no hydrogen 2.744 N/A VAL 22.A N ALA 39.A O no hydrogen 2.906 N/A GLU 24.A N GLY 37.A O no hydrogen 3.223 N/A ASN 29.A ND2 GLU 318.A OE1 no hydrogen 3.372 N/A TYR 30.A OH GLU 192.A OE1 no hydrogen 2.589 N/A TYR 30.A OH GLU 192.A OE2 no hydrogen 3.293 N/A HIS 31.A N ASN 29.A OD1 no hydrogen 3.000 N/A HIS 31.A NE2 THR 302.A O no hydrogen 3.077 N/A ALA 33.A N TYR 30.A O no hydrogen 3.101 N/A VAL 36.A N GLU 24.A O no hydrogen 2.983 N/A ILE 38.A N LEU 49.A O no hydrogen 2.974 N/A ALA 39.A N VAL 22.A O no hydrogen 2.900 N/A VAL 40.A N PHE 47.A O no hydrogen 2.876 N/A VAL 41.A N ALA 20.A O no hydrogen 3.127 N/A ASN 42.A N GLY 45.A O no hydrogen 2.973 N/A ASN 42.A ND2 GLU 13.A O no hydrogen 3.023 N/A GLY 45.A N ASN 42.A O no hydrogen 3.089 N/A GLY 45.A N ASN 42.A OD1 no hydrogen 3.207 N/A ARG 46.A NH1 ALA 3.A O no hydrogen 2.851 N/A PHE 47.A N VAL 40.A O no hydrogen 2.693 N/A PHE 48.A N THR 5.A O no hydrogen 2.990 N/A LEU 49.A N ILE 38.A O no hydrogen 2.757 N/A ARG 50.A NE GLU 143.A OE1 no hydrogen 2.835 N/A ARG 50.A NH1 ASP 8.A OD2 no hydrogen 3.093 N/A ARG 50.A NH2 GLU 143.A OE2 no hydrogen 2.886 N/A GLU 52.A N GLU 52.A OE2 no hydrogen 2.430 N/A THR 53.A N ARG 50.A O no hydrogen 3.042 N/A ALA 54.A N ARG 50.A O no hydrogen 2.882 N/A LEU 55.A N PRO 51.A O no hydrogen 2.833 N/A ASP 57.A N ALA 54.A O no hydrogen 3.218 N/A GLN 59.A N ASP 57.A OD1 no hydrogen 2.515 N/A PHE 60.A N ASP 57.A OD1 no hydrogen 2.959 N/A VAL 61.A N ASP 57.A O no hydrogen 3.111 N/A ALA 62.A N PRO 58.A O no hydrogen 2.994 N/A TRP 63.A N GLN 59.A O no hydrogen 2.850 N/A TRP 63.A NE1 ALA 16.A O no hydrogen 2.870 N/A LEU 64.A N PHE 60.A O no hydrogen 2.830 N/A GLY 65.A N VAL 61.A O no hydrogen 3.125 N/A ASP 66.A N TRP 63.A O no hydrogen 3.152 N/A THR 68.A N ASP 66.A OD1 no hydrogen 3.027 N/A THR 68.A OG1 ASP 66.A OD1 no hydrogen 2.620 N/A LYS 69.A N ASP 66.A O no hydrogen 3.071 N/A LYS 70.A N ASP 17.A O no hydrogen 3.036 N/A LYS 70.A NZ GLU 67.A O no hydrogen 3.069 N/A LYS 71.A N GLY 92.A O no hydrogen 2.884 N/A LYS 71.A NZ TRP 63.A O no hydrogen 2.807 N/A LYS 71.A NZ LEU 64.A O no hydrogen 3.028 N/A LYS 71.A NZ ASP 66.A O no hydrogen 3.136 N/A LYS 71.A NZ LYS 69.A O no hydrogen 2.954 N/A LYS 71.A NZ CYS 91.A O no hydrogen 2.736 N/A SER 72.A N ALA 19.A O no hydrogen 2.887 N/A SER 72.A OG GLU 161.A OE1 no hydrogen 2.467 N/A MET 73.A N PHE 95.A O no hydrogen 2.852 N/A ASP 75.A N ASP 96.A OD1 no hydrogen 2.945 N/A SER 76.A N ASP 96.A OD2 no hydrogen 2.806 N/A SER 76.A OG ASP 96.A OD2 no hydrogen 2.846 N/A LYS 77.A NZ TYR 30.A OH no hydrogen 2.734 N/A LYS 77.A NZ GLU 192.A OE2 no hydrogen 2.853 N/A LYS 77.A NZ PHE 304.A O no hydrogen 2.724 N/A ARG 78.A N ASP 75.A O no hydrogen 3.203 N/A ARG 78.A NE ASP 75.A OD2 no hydrogen 3.111 N/A ARG 78.A NH1 VAL 25.A O no hydrogen 3.067 N/A ARG 78.A NH1 GLU 27.A O no hydrogen 2.824 N/A ARG 78.A NH2 GLU 28.A O no hydrogen 3.074 N/A ALA 80.A N SER 76.A O no hydrogen 2.863 N/A VAL 81.A N LYS 77.A O no hydrogen 2.994 N/A ALA 82.A N ARG 78.A O no hydrogen 3.140 N/A LEU 83.A N ALA 79.A O no hydrogen 2.872 N/A LYS 84.A N ALA 80.A O no hydrogen 2.776 N/A TRP 85.A N VAL 81.A O no hydrogen 3.026 N/A TRP 85.A NE1 HIS 31.A ND1 no hydrogen 2.987 N/A LYS 86.A N LEU 83.A O no hydrogen 2.976 N/A GLY 87.A N LYS 84.A O no hydrogen 2.855 N/A ILE 88.A N LEU 83.A O no hydrogen 2.878 N/A CYS 91.A N LEU 64.A O no hydrogen 2.807 N/A CYS 91.A SG GLY 65.A O no hydrogen 3.533 N/A SER 94.A N LYS 71.A O no hydrogen 2.983 N/A ASP 96.A N GLN 182.A OE1 no hydrogen 2.856 N/A LEU 97.A N MET 73.A O no hydrogen 2.702 N/A LEU 99.A N ASP 96.A OD1 no hydrogen 3.440 N/A ALA 100.A N ASP 96.A O no hydrogen 2.963 N/A ALA 101.A N LEU 97.A O no hydrogen 2.867 N/A TYR 102.A N LEU 98.A O no hydrogen 3.047 N/A TYR 102.A OH THR 309.A O no hydrogen 2.535 N/A LEU 103.A N LEU 99.A O no hydrogen 3.050 N/A LEU 104.A N ALA 100.A O no hydrogen 3.164 N/A ASP 105.A N ALA 101.A O no hydrogen 3.029 N/A ALA 107.A N ASP 105.A OD1 no hydrogen 2.976 N/A GLN 108.A N ASP 105.A O no hydrogen 3.316 N/A GLY 109.A N PRO 106.A O no hydrogen 3.333 N/A ALA 115.A N ASP 112.A OD1 no hydrogen 2.969 N/A ALA 116.A N ASP 112.A O no hydrogen 3.331 N/A ALA 117.A N VAL 113.A O no hydrogen 2.910 N/A LYS 118.A N ALA 114.A O no hydrogen 3.031 N/A LYS 118.A NZ GLU 123.A OE2 no hydrogen 3.364 N/A MET 119.A N ALA 116.A O no hydrogen 2.997 N/A LYS 120.A N ALA 117.A O no hydrogen 2.930 N/A LYS 120.A NZ GLU 167.A OE1 no hydrogen 2.673 N/A GLN 121.A N LYS 118.A O no hydrogen 3.203 N/A TYR 122.A N ALA 117.A O no hydrogen 3.049 N/A ASP 128.A N ASP 112.A OD2 no hydrogen 3.047 N/A ALA 130.A N PRO 127.A O no hydrogen 2.863 N/A VAL 131.A N ASP 128.A O no hydrogen 2.955 N/A TYR 132.A N ASP 128.A O no hydrogen 2.894 N/A TYR 132.A OH GLU 24.A OE2 no hydrogen 2.530 N/A GLY 133.A N GLU 129.A O no hydrogen 2.845 N/A ARG 138.A N GLY 135.A O no hydrogen 3.118 N/A ALA 139.A N TYR 132.A O no hydrogen 2.806 N/A LEU 146.A N ASP 142.A O no hydrogen 2.973 N/A ALA 147.A N GLU 143.A O no hydrogen 2.709 N/A GLU 148.A N PRO 144.A O no hydrogen 3.236 N/A HIS 149.A N VAL 145.A O no hydrogen 3.190 N/A HIS 149.A NE2 ASP 128.A OD1 no hydrogen 2.759 N/A LEU 150.A N LEU 146.A O no hydrogen 3.026 N/A VAL 151.A N ALA 147.A O no hydrogen 3.156 N/A ARG 152.A N GLU 148.A O no hydrogen 2.913 N/A ARG 152.A NE GLU 148.A OE1 no hydrogen 2.940 N/A ARG 152.A NH1 ALA 124.A O no hydrogen 2.831 N/A ARG 152.A NH2 GLU 148.A OE1 no hydrogen 3.454 N/A LYS 153.A N HIS 149.A O no hydrogen 3.060 N/A LYS 153.A NZ GLU 24.A OE1 no hydrogen 3.044 N/A LYS 153.A NZ GLU 24.A OE2 no hydrogen 2.881 N/A LYS 153.A NZ ASP 128.A OD1 no hydrogen 2.821 N/A ALA 154.A N LEU 150.A O no hydrogen 2.909 N/A ALA 155.A N VAL 151.A O no hydrogen 2.760 N/A ALA 156.A N ARG 152.A O no hydrogen 2.957 N/A ILE 157.A N LYS 153.A O no hydrogen 2.988 N/A TRP 158.A N ALA 154.A O no hydrogen 2.870 N/A GLU 159.A N ALA 155.A O no hydrogen 2.975 N/A LEU 160.A N ALA 156.A O no hydrogen 2.764 N/A GLU 161.A N ILE 157.A O no hydrogen 3.143 N/A PHE 164.A N LEU 160.A O no hydrogen 3.057 N/A LEU 165.A N GLU 161.A O no hydrogen 2.869 N/A ASP 166.A N ARG 162.A O no hydrogen 2.801 N/A GLU 167.A N PRO 163.A O no hydrogen 3.088 N/A LEU 168.A N PHE 164.A O no hydrogen 2.968 N/A ARG 169.A N LEU 165.A O no hydrogen 2.941 N/A ARG 170.A N ASP 166.A O no hydrogen 3.106 N/A ASN 171.A N GLU 167.A O no hydrogen 2.970 N/A ASN 171.A ND2 GLN 173.A OE1 no hydrogen 2.996 N/A GLU 172.A N ARG 169.A O no hydrogen 2.979 N/A GLN 173.A N LEU 168.A O no hydrogen 2.722 N/A GLN 173.A NE2 LEU 103.A O no hydrogen 3.220 N/A GLN 173.A NE2 HIS 466.A O no hydrogen 2.952 N/A LEU 177.A N GLN 173.A O no hydrogen 3.102 N/A LEU 177.A N ASP 174.A O no hydrogen 3.240 N/A VAL 178.A N ASP 174.A O no hydrogen 3.094 N/A GLU 179.A N ARG 175.A O no hydrogen 2.814 N/A GLU 181.A N LEU 176.A O no hydrogen 3.078 N/A GLN 182.A N LEU 177.A O no hydrogen 2.937 N/A GLN 182.A NE2 SER 94.A O no hydrogen 3.149 N/A LEU 184.A N LEU 180.A O no hydrogen 2.954 N/A SER 185.A N GLU 181.A O no hydrogen 2.923 N/A ILE 187.A N PRO 183.A O no hydrogen 3.359 N/A LEU 188.A N LEU 184.A O no hydrogen 2.823 N/A ALA 189.A N SER 185.A O no hydrogen 2.994 N/A GLU 190.A N SER 186.A O no hydrogen 3.153 N/A MET 191.A N ILE 187.A O no hydrogen 3.089 N/A GLU 192.A N LEU 188.A O no hydrogen 3.005 N/A PHE 193.A N ALA 189.A O no hydrogen 3.018 N/A ALA 194.A N GLU 190.A O no hydrogen 2.879 N/A GLY 195.A N MET 191.A O no hydrogen 3.018 N/A VAL 196.A N VAL 300.A O no hydrogen 3.027 N/A LYS 197.A NZ THR 297.A O no hydrogen 2.991 N/A VAL 198.A N LYS 298.A O no hydrogen 2.770 N/A ASP 199.A N ALA 337.A O no hydrogen 2.662 N/A ARG 202.A N ASP 199.A O no hydrogen 3.232 N/A ARG 202.A N ASP 199.A OD1 no hydrogen 3.140 N/A LEU 203.A N ASP 199.A O no hydrogen 3.154 N/A GLU 204.A N THR 200.A O no hydrogen 2.923 N/A GLN 205.A N ARG 202.A O no hydrogen 3.188 N/A MET 206.A N ARG 202.A O no hydrogen 3.030 N/A GLY 207.A N LEU 203.A O no hydrogen 3.062 N/A LYS 208.A N GLU 204.A O no hydrogen 3.064 N/A LYS 208.A N GLN 205.A O no hydrogen 3.161 N/A GLU 209.A N GLN 205.A O no hydrogen 3.093 N/A LEU 210.A N MET 206.A O no hydrogen 2.899 N/A ALA 211.A N GLY 207.A O no hydrogen 3.034 N/A GLU 212.A N LYS 208.A O no hydrogen 3.258 N/A GLN 213.A N GLU 209.A O no hydrogen 3.181 N/A LEU 214.A N LEU 210.A O no hydrogen 2.925 N/A GLY 215.A N ALA 211.A O no hydrogen 3.271 N/A THR 216.A N GLU 212.A O no hydrogen 3.219 N/A THR 216.A OG1 GLU 212.A O no hydrogen 3.290 N/A VAL 217.A N GLN 213.A O no hydrogen 2.932 N/A GLU 218.A N LEU 214.A O no hydrogen 2.748 N/A GLN 219.A N GLY 215.A O no hydrogen 3.228 N/A ARG 220.A N THR 216.A O no hydrogen 2.958 N/A ARG 220.A NE GLU 267.A OE2 no hydrogen 3.389 N/A ARG 220.A NH1 GLU 223.A OE1 no hydrogen 3.321 N/A ARG 220.A NH2 GLU 267.A OE2 no hydrogen 2.717 N/A ILE 221.A N VAL 217.A O no hydrogen 2.955 N/A ILE 221.A N GLU 218.A O no hydrogen 2.966 N/A TYR 222.A N GLU 218.A O no hydrogen 3.096 N/A TYR 222.A OH GLU 218.A OE2 no hydrogen 2.891 N/A TYR 222.A OH PHE 229.A O no hydrogen 3.386 N/A GLU 223.A N GLN 219.A O no hydrogen 3.152 N/A LEU 224.A N ARG 220.A O no hydrogen 3.203 N/A ALA 225.A N ILE 221.A O no hydrogen 3.084 N/A GLY 226.A N GLU 223.A O no hydrogen 2.840 N/A GLN 227.A N TYR 222.A O no hydrogen 3.009 N/A ASN 230.A N GLN 236.A OE1 no hydrogen 2.833 N/A SER 233.A N ASN 230.A O no hydrogen 2.822 N/A GLN 236.A N SER 233.A OG no hydrogen 3.135 N/A LEU 237.A N SER 233.A O no hydrogen 2.788 N/A GLY 238.A N PRO 234.A O no hydrogen 3.323 N/A VAL 239.A N LYS 235.A O no hydrogen 3.350 N/A ILE 240.A N GLN 236.A O no hydrogen 3.219 N/A LEU 241.A N LEU 237.A O no hydrogen 2.872 N/A PHE 242.A N GLY 238.A O no hydrogen 3.018 N/A GLU 243.A N VAL 239.A O no hydrogen 3.083 N/A LYS 244.A N VAL 239.A O no hydrogen 3.070 N/A LYS 244.A NZ ALA 225.A O no hydrogen 2.987 N/A LEU 245.A N ILE 240.A O no hydrogen 3.091 N/A GLN 246.A NE2 GLU 243.A O no hydrogen 2.799 N/A LEU 247.A N LEU 241.A O no hydrogen 2.954 N/A TYR 252.A OH GLU 243.A OE2 no hydrogen 2.854 N/A LEU 259.A N SER 255.A O no hydrogen 3.161 N/A GLU 260.A N ALA 256.A O no hydrogen 3.114 N/A LYS 261.A N VAL 258.A O no hydrogen 3.169 N/A LYS 261.A NZ ASN 424.A OD1 no hydrogen 3.078 N/A LEU 262.A N VAL 258.A O no hydrogen 3.176 N/A ALA 263.A N LEU 259.A O no hydrogen 2.783 N/A TYR 265.A N LEU 262.A O no hydrogen 2.814 N/A ILE 268.A N HIS 266.A ND1 no hydrogen 3.131 N/A VAL 269.A N HIS 266.A O no hydrogen 3.285 N/A ASN 271.A ND2 GLU 267.A O no hydrogen 3.308 N/A ILE 272.A N ILE 268.A O no hydrogen 2.980 N/A LEU 273.A N VAL 269.A O no hydrogen 3.064 N/A LEU 273.A N GLU 270.A O no hydrogen 3.173 N/A HIS 274.A N GLU 270.A O no hydrogen 3.113 N/A HIS 274.A NE2 GLU 330.A OE1 no hydrogen 3.071 N/A HIS 274.A NE2 GLU 330.A OE2 no hydrogen 3.226 N/A TYR 275.A N ASN 271.A O no hydrogen 2.850 N/A ARG 276.A N ILE 272.A O no hydrogen 3.154 N/A ARG 276.A NH1 THR 254.A O no hydrogen 2.771 N/A ARG 276.A NH2 THR 254.A O no hydrogen 3.151 N/A ARG 276.A NH2 THR 254.A OG1 no hydrogen 2.803 N/A GLN 277.A N LEU 273.A O no hydrogen 3.005 N/A LEU 278.A N HIS 274.A O no hydrogen 2.918 N/A GLY 279.A N TYR 275.A O no hydrogen 2.763 N/A LYS 280.A N ARG 276.A O no hydrogen 2.950 N/A LYS 280.A N GLN 277.A O no hydrogen 2.768 N/A LEU 281.A N GLN 277.A O no hydrogen 3.054 N/A GLN 282.A N LEU 278.A O no hydrogen 2.926 N/A GLN 282.A NE2 GLY 207.A O no hydrogen 3.582 N/A SER 283.A N GLY 279.A O no hydrogen 3.171 N/A SER 283.A OG GLY 279.A O no hydrogen 3.544 N/A SER 283.A OG THR 284.A OG1 no hydrogen 3.251 N/A THR 284.A N LYS 280.A O no hydrogen 3.115 N/A THR 284.A OG1 SER 283.A OG no hydrogen 3.251 N/A TYR 285.A OH ASN 323.A O no hydrogen 2.578 N/A GLU 287.A N GLN 282.A O no hydrogen 2.904 N/A GLY 288.A N SER 283.A O no hydrogen 2.920 N/A LEU 290.A N ILE 286.A O no hydrogen 3.125 N/A LYS 291.A N GLU 287.A O no hydrogen 3.235 N/A VAL 292.A N LEU 289.A O no hydrogen 2.837 N/A VAL 293.A N LEU 290.A O no hydrogen 3.440 N/A ARG 294.A N LYS 299.A O no hydrogen 2.768 N/A LYS 298.A N ARG 294.A O no hydrogen 2.664 N/A LYS 299.A NZ ALA 194.A O no hydrogen 3.366 N/A VAL 300.A N VAL 196.A O no hydrogen 2.985 N/A HIS 301.A ND1 GLU 192.A O no hydrogen 2.844 N/A THR 302.A OG1 SER 316.A OG no hydrogen 2.692 N/A THR 302.A OG1 THR 317.A O no hydrogen 2.945 N/A THR 302.A OG1 PRO 319.A O no hydrogen 2.819 N/A ILE 303.A N THR 317.A O no hydrogen 3.237 N/A PHE 304.A N GLU 192.A OE2 no hydrogen 2.642 N/A ASN 305.A N SER 315.A O no hydrogen 3.068 N/A GLN 306.A NE2 GLU 181.A O no hydrogen 2.779 N/A GLN 306.A NE2 GLU 181.A OE1 no hydrogen 2.948 N/A ALA 307.A N ASN 305.A OD1 no hydrogen 3.199 N/A THR 309.A OG1 TYR 102.A OH no hydrogen 3.364 N/A THR 309.A OG1 ARG 313.A O no hydrogen 2.467 N/A GLY 312.A N THR 309.A OG1 no hydrogen 3.157 N/A SER 315.A N ASN 305.A O no hydrogen 3.315 N/A SER 316.A OG THR 302.A OG1 no hydrogen 2.692 N/A SER 316.A OG PRO 319.A O no hydrogen 3.305 N/A THR 317.A N ILE 303.A O no hydrogen 3.201 N/A LEU 321.A N SER 316.A OG no hydrogen 3.077 N/A GLN 322.A N ASN 320.A OD1 no hydrogen 2.743 N/A GLN 322.A NE2 GLN 525.A O no hydrogen 2.679 N/A GLY 331.A N LEU 328.A O no hydrogen 3.063 N/A ARG 332.A N LEU 328.A O no hydrogen 3.018 N/A LYS 333.A N GLU 329.A O no hydrogen 3.337 N/A ILE 334.A N GLY 331.A O no hydrogen 3.042 N/A ARG 335.A N ARG 332.A O no hydrogen 2.970 N/A ARG 335.A NE PRO 325.A O no hydrogen 2.905 N/A ARG 335.A NH2 ILE 324.A O no hydrogen 2.799 N/A GLN 336.A N LYS 333.A O no hydrogen 2.836 N/A ALA 337.A N ILE 334.A O no hydrogen 3.012 N/A PHE 338.A N ARG 335.A O no hydrogen 3.248 N/A VAL 339.A N LYS 197.A O no hydrogen 3.079 N/A SER 341.A N GLU 533.A OE1 no hydrogen 2.912 N/A SER 341.A OG GLU 533.A OE1 no hydrogen 3.267 N/A SER 341.A OG GLU 533.A OE2 no hydrogen 2.709 N/A TRP 345.A N GLU 342.A O no hydrogen 3.293 N/A LEU 346.A N ALA 534.A O no hydrogen 2.807 N/A ILE 347.A N GLY 567.A O no hydrogen 2.863 N/A PHE 348.A N LEU 532.A O no hydrogen 2.922 N/A ALA 349.A N HIS 565.A O no hydrogen 2.814 N/A ALA 350.A N LEU 530.A O no hydrogen 2.953 N/A ASP 351.A N ASP 563.A O no hydrogen 2.811 N/A TYR 352.A N ASP 528.A O no hydrogen 2.865 N/A TYR 352.A OH MET 550.A O no hydrogen 2.609 N/A SER 353.A N LYS 561.A O no hydrogen 2.808 N/A ARG 358.A N GLN 354.A O no hydrogen 3.074 N/A ARG 358.A NE SER 353.A O no hydrogen 3.007 N/A ARG 358.A NH1 PRO 559.A O no hydrogen 2.716 N/A ARG 358.A NH2 ASP 376.A OD1 no hydrogen 3.285 N/A VAL 359.A N ILE 355.A O no hydrogen 2.837 N/A LEU 360.A N GLU 356.A O no hydrogen 2.841 N/A ALA 361.A N LEU 357.A O no hydrogen 2.882 N/A HIS 362.A N ARG 358.A O no hydrogen 3.050 N/A ILE 363.A N VAL 359.A O no hydrogen 2.881 N/A ALA 364.A N LEU 360.A O no hydrogen 2.901 N/A GLU 365.A N HIS 362.A O no hydrogen 3.210 N/A ASN 368.A ND2 ASP 386.A OD2 no hydrogen 2.677 N/A ASN 368.A ND2 SER 440.A O no hydrogen 3.179 N/A LEU 369.A N ASP 366.A OD1 no hydrogen 2.852 N/A MET 370.A N ASP 366.A O no hydrogen 2.858 N/A GLU 371.A N ASP 367.A O no hydrogen 2.990 N/A ALA 372.A N ASN 368.A O no hydrogen 2.890 N/A PHE 373.A N LEU 369.A O no hydrogen 3.234 N/A ARG 374.A N MET 370.A O no hydrogen 2.967 N/A ARG 374.A NE ARG 557.A O no hydrogen 3.340 N/A ARG 374.A NH2 ARG 557.A O no hydrogen 2.815 N/A ARG 375.A N GLU 371.A O no hydrogen 3.025 N/A ARG 375.A N ALA 372.A O no hydrogen 3.239 N/A ARG 375.A NE GLU 371.A OE2 no hydrogen 2.781 N/A ARG 375.A NH2 GLU 371.A OE2 no hydrogen 3.160 N/A ASP 376.A N PHE 373.A O no hydrogen 2.923 N/A LEU 377.A N ALA 372.A O no hydrogen 3.065 N/A THR 381.A N ASP 378.A OD1 no hydrogen 3.021 N/A LYS 382.A N ASP 378.A O no hydrogen 2.999 N/A LYS 382.A NZ ASN 368.A OD1 no hydrogen 3.167 N/A LYS 382.A NZ ASP 386.A OD1 no hydrogen 3.347 N/A THR 383.A N ILE 379.A O no hydrogen 2.883 N/A THR 383.A OG1 ILE 379.A O no hydrogen 2.995 N/A THR 383.A OG1 ASN 407.A OD1 no hydrogen 3.496 N/A ALA 384.A N HIS 380.A O no hydrogen 2.976 N/A MET 385.A N THR 381.A O no hydrogen 2.941 N/A ASP 386.A N LYS 382.A O no hydrogen 3.034 N/A ILE 387.A N THR 383.A O no hydrogen 2.963 N/A PHE 388.A N ALA 384.A O no hydrogen 2.985 N/A VAL 390.A N MET 385.A O no hydrogen 3.052 N/A SER 391.A N GLU 394.A OE2 no hydrogen 3.305 N/A SER 391.A OG GLU 394.A OE2 no hydrogen 3.183 N/A GLU 394.A N SER 391.A O no hydrogen 2.949 N/A VAL 395.A N GLU 392.A O no hydrogen 3.170 N/A MET 399.A N THR 396.A OG1 no hydrogen 3.395 N/A ARG 400.A N THR 396.A O no hydrogen 3.120 N/A ARG 400.A NE THR 381.A OG1 no hydrogen 3.204 N/A ARG 400.A NH2 ASP 378.A OD1 no hydrogen 3.031 N/A ARG 400.A NH2 ASP 378.A OD2 no hydrogen 2.834 N/A ARG 401.A N PRO 397.A O no hydrogen 3.047 N/A ARG 401.A NE ASN 398.A OD1 no hydrogen 3.009 N/A ARG 401.A NH2 ASN 398.A OD1 no hydrogen 2.940 N/A GLN 402.A N ASN 398.A O no hydrogen 3.111 N/A ALA 403.A N MET 399.A O no hydrogen 2.849 N/A LYS 404.A N ARG 400.A O no hydrogen 2.781 N/A ALA 405.A N ARG 401.A O no hydrogen 3.096 N/A VAL 406.A N GLN 402.A O no hydrogen 3.048 N/A ASN 407.A N ALA 403.A O no hydrogen 3.049 N/A ASN 407.A ND2 HIS 380.A ND1 no hydrogen 2.842 N/A ASN 407.A ND2 THR 383.A OG1 no hydrogen 3.329 N/A PHE 408.A N LYS 404.A O no hydrogen 3.242 N/A GLY 409.A N ALA 405.A O no hydrogen 3.077 N/A ILE 410.A N VAL 406.A O no hydrogen 2.883 N/A VAL 411.A N ASN 407.A O no hydrogen 3.045 N/A TYR 412.A N PHE 408.A O no hydrogen 2.745 N/A GLY 418.A N SER 415.A OG no hydrogen 3.359 N/A LEU 419.A N SER 415.A O no hydrogen 3.049 N/A ALA 420.A N ASP 416.A O no hydrogen 2.996 N/A GLN 421.A N TYR 417.A O no hydrogen 2.991 N/A ASN 422.A N GLY 418.A O no hydrogen 3.212 N/A LEU 423.A N LEU 419.A O no hydrogen 2.921 N/A ILE 425.A N ALA 420.A O no hydrogen 2.944 N/A SER 426.A N GLU 429.A OE2 no hydrogen 3.030 N/A ALA 430.A N SER 426.A O no hydrogen 2.947 N/A ALA 431.A N ARG 427.A O no hydrogen 2.668 N/A GLU 432.A N LYS 428.A O no hydrogen 3.141 N/A PHE 433.A N GLU 429.A O no hydrogen 2.924 N/A ILE 434.A N ALA 430.A O no hydrogen 2.889 N/A GLU 435.A N ALA 431.A O no hydrogen 2.864 N/A ARG 436.A N GLU 432.A O no hydrogen 3.051 N/A TYR 437.A N PHE 433.A O no hydrogen 2.750 N/A PHE 438.A N ILE 434.A O no hydrogen 2.914 N/A GLU 439.A N GLU 435.A O no hydrogen 3.223 N/A GLU 439.A N ARG 436.A O no hydrogen 3.040 N/A SER 440.A N ARG 436.A O no hydrogen 3.214 N/A SER 440.A OG ASP 386.A O no hydrogen 3.175 N/A PHE 441.A N TYR 437.A O no hydrogen 2.903 N/A VAL 444.A N ASP 366.A OD2 no hydrogen 3.119 N/A LYS 445.A N PHE 441.A O no hydrogen 3.193 N/A ARG 446.A N PRO 442.A O no hydrogen 2.906 N/A TYR 447.A N GLY 443.A O no hydrogen 3.030 N/A TYR 447.A OH MET 490.A O no hydrogen 3.132 N/A MET 448.A N VAL 444.A O no hydrogen 3.016 N/A GLU 449.A N LYS 445.A O no hydrogen 3.091 N/A ASN 450.A N ARG 446.A O no hydrogen 2.810 N/A ILE 451.A N TYR 447.A O no hydrogen 2.752 N/A VAL 452.A N MET 448.A O no hydrogen 3.366 N/A GLN 453.A N GLU 449.A O no hydrogen 3.170 N/A GLU 454.A N ASN 450.A O no hydrogen 2.785 N/A ALA 455.A N ILE 451.A O no hydrogen 2.842 N/A LYS 456.A N VAL 452.A O no hydrogen 3.141 N/A GLN 457.A N GLN 453.A O no hydrogen 3.051 N/A LYS 458.A N GLU 454.A O no hydrogen 2.850 N/A LYS 458.A NZ GLN 457.A OE1 no hydrogen 3.495 N/A GLY 459.A N ALA 455.A O no hydrogen 2.824 N/A VAL 461.A N ARG 469.A O no hydrogen 3.004 N/A THR 463.A N ARG 467.A O no hydrogen 2.945 N/A THR 463.A OG1 ASP 500.A OD2 no hydrogen 2.450 N/A LEU 464.A N SER 497.A OG no hydrogen 2.679 N/A LEU 465.A N ASP 500.A OD2 no hydrogen 3.185 N/A HIS 466.A N THR 463.A O no hydrogen 2.931 N/A ARG 467.A N THR 463.A OG1 no hydrogen 3.021 N/A ARG 467.A NE ASP 500.A OD1 no hydrogen 2.907 N/A ARG 467.A NH1 GLU 181.A OE2 no hydrogen 2.815 N/A ARG 467.A NH2 GLU 181.A OE2 no hydrogen 2.762 N/A ARG 467.A NH2 ASP 500.A OD1 no hydrogen 2.738 N/A ARG 468.A NH1 TYR 470.A OH no hydrogen 2.947 N/A ARG 469.A N VAL 461.A O no hydrogen 3.052 N/A ARG 469.A NH1 THR 492.A OG1 no hydrogen 2.848 N/A LEU 471.A N GLY 459.A O no hydrogen 2.996 N/A ILE 474.A N LEU 471.A O no hydrogen 3.185 N/A THR 475.A OG1 PRO 472.A O no hydrogen 3.366 N/A SER 476.A N ASP 473.A O no hydrogen 3.089 N/A ARG 477.A NH1 THR 475.A O no hydrogen 3.024 N/A ASN 478.A N SER 476.A OG no hydrogen 3.143 N/A VAL 481.A N ASN 478.A OD1 no hydrogen 2.911 N/A ARG 482.A N ASN 478.A O no hydrogen 2.773 N/A ARG 482.A NH1 SER 476.A O no hydrogen 2.844 N/A SER 483.A N PHE 479.A O no hydrogen 2.813 N/A SER 483.A OG PHE 479.A O no hydrogen 2.811 N/A PHE 484.A N ASN 480.A O no hydrogen 3.131 N/A GLU 486.A N ARG 482.A O no hydrogen 3.038 N/A ARG 487.A N SER 483.A O no hydrogen 3.158 N/A MET 488.A N PHE 484.A O no hydrogen 3.134 N/A ALA 489.A N ALA 485.A O no hydrogen 2.881 N/A MET 490.A N GLU 486.A O no hydrogen 3.051 N/A ASN 491.A N ARG 487.A O no hydrogen 2.698 N/A ASN 491.A ND2 VAL 411.A O no hydrogen 2.651 N/A THR 492.A N MET 488.A O no hydrogen 2.845 N/A THR 492.A OG1 MET 488.A O no hydrogen 2.933 N/A ILE 494.A N ASN 491.A O no hydrogen 2.818 N/A GLN 495.A N ASN 491.A O no hydrogen 2.905 N/A GLN 495.A NE2 THR 311.A OG1 no hydrogen 2.567 N/A GLY 496.A N THR 492.A O no hydrogen 2.659 N/A SER 497.A N PRO 493.A O no hydrogen 3.284 N/A SER 497.A OG PRO 493.A O no hydrogen 2.870 N/A ALA 498.A N ILE 494.A O no hydrogen 3.072 N/A ALA 499.A N GLN 495.A O no hydrogen 3.062 N/A ASP 500.A N GLY 496.A O no hydrogen 2.985 N/A ILE 501.A N SER 497.A O no hydrogen 3.068 N/A ILE 502.A N ALA 498.A O no hydrogen 3.287 N/A LYS 503.A N ALA 499.A O no hydrogen 3.008 N/A LYS 503.A NZ GLU 181.A OE1 no hydrogen 3.150 N/A LYS 503.A NZ GLU 181.A OE2 no hydrogen 2.826 N/A LYS 503.A NZ GLY 312.A O no hydrogen 2.795 N/A LYS 504.A N ASP 500.A O no hydrogen 3.031 N/A LYS 504.A NZ ASP 508.A OD2 no hydrogen 2.812 N/A LYS 504.A NZ ALA 553.A O no hydrogen 2.611 N/A ALA 505.A N ILE 501.A O no hydrogen 2.939 N/A MET 506.A N ILE 502.A O no hydrogen 2.995 N/A ILE 507.A N LYS 503.A O no hydrogen 3.244 N/A ASP 508.A N LYS 504.A O no hydrogen 2.865 N/A LEU 509.A N ALA 505.A O no hydrogen 2.724 N/A ASN 510.A N MET 506.A O no hydrogen 3.033 N/A ASN 510.A ND2 GLU 190.A OE1 no hydrogen 3.445 N/A ALA 511.A N ILE 507.A O no hydrogen 3.209 N/A ARG 512.A N ASP 508.A O no hydrogen 3.066 N/A ARG 512.A NH1 GLU 516.A OE2 no hydrogen 3.235 N/A LEU 513.A N LEU 509.A O no hydrogen 2.829 N/A LYS 514.A N ASN 510.A O no hydrogen 3.177 N/A GLU 515.A N ALA 511.A O no hydrogen 2.992 N/A GLU 516.A N ARG 512.A O no hydrogen 2.976 N/A ARG 517.A N LYS 514.A O no hydrogen 3.020 N/A ARG 517.A NH1 LYS 514.A O no hydrogen 2.804 N/A LEU 518.A N LEU 513.A O no hydrogen 2.925 N/A GLN 519.A N GLU 538.A OE2 no hydrogen 2.723 N/A ALA 520.A N GLU 538.A OE1 no hydrogen 2.932 N/A HIS 521.A N GLU 533.A O no hydrogen 3.112 N/A HIS 521.A NE2 GLU 533.A OE2 no hydrogen 2.688 N/A LEU 523.A N ILE 531.A O no hydrogen 2.783 N/A LEU 524.A N ILE 531.A O no hydrogen 3.174 N/A VAL 526.A N GLU 529.A O no hydrogen 2.911 N/A HIS 527.A N GLN 525.A OE1 no hydrogen 2.672 N/A ASP 528.A N VAL 526.A O no hydrogen 2.810 N/A LEU 530.A N ALA 350.A O no hydrogen 2.789 N/A ILE 531.A N LEU 524.A O no hydrogen 2.951 N/A LEU 532.A N PHE 348.A O no hydrogen 2.698 N/A GLU 533.A N HIS 521.A O no hydrogen 3.182 N/A ALA 534.A N LEU 346.A O no hydrogen 3.206 N/A LYS 536.A N ASP 344.A O no hydrogen 2.855 N/A LYS 536.A NZ GLU 537.A OE2 no hydrogen 2.512 N/A GLU 538.A N PRO 535.A O no hydrogen 2.987 N/A MET 539.A N LYS 536.A O no hydrogen 3.217 N/A LEU 542.A N GLU 538.A O no hydrogen 3.039 N/A CYS 543.A N MET 539.A O no hydrogen 2.892 N/A CYS 543.A SG MET 539.A O no hydrogen 3.385 N/A ARG 544.A N ARG 541.A O no hydrogen 3.316 N/A LEU 545.A N ARG 541.A O no hydrogen 2.923 N/A VAL 546.A N LEU 542.A O no hydrogen 2.991 N/A VAL 549.A N LEU 545.A O no hydrogen 2.987 N/A MET 550.A N VAL 546.A O no hydrogen 3.021 N/A GLU 551.A N PRO 547.A O no hydrogen 2.744 N/A GLN 552.A N GLU 548.A O no hydrogen 2.878 N/A ALA 553.A N MET 550.A O no hydrogen 3.489 N/A ARG 557.A N HIS 362.A ND1 no hydrogen 2.887 N/A LYS 561.A NZ ASP 563.A OD1 no hydrogen 3.547 N/A LYS 561.A NZ ASP 563.A OD2 no hydrogen 3.500 N/A VAL 562.A N GLU 551.A OE2 no hydrogen 3.159 N/A ASP 563.A N ASP 351.A O no hydrogen 2.869 N/A HIS 565.A N ALA 349.A O no hydrogen 2.857 N/A GLY 567.A N ILE 347.A O no hydrogen 2.897 N/A THR 569.A OG1 ASP 572.A OD2 no hydrogen 2.689 N/A TRP 570.A N PHE 338.A O no hydrogen 2.945 N/A TYR 571.A N ARG 335.A O no hydrogen 3.258 N/A TYR 571.A OH GLU 329.A OE2 no hydrogen 2.761 N/A ASP 572.A N THR 569.A OG1 no hydrogen 3.225 N/A ALA 573.A N THR 569.A O no hydrogen 3.170 N/A ALA 573.A N TRP 570.A O no hydrogen 3.179 N/A LYS 574.A N ASP 572.A O no hydrogen 2.631 N/A