Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dkh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N TRP 12.A O no hydrogen 3.104 N/A THR 2.A OG1 TRP 12.A O no hydrogen 3.221 N/A CYS 3.A N TRP 12.A O no hydrogen 3.439 N/A ASN 4.A ND2 CYS 11.A O no hydrogen 3.069 N/A THR 5.A N ASN 8.A O no hydrogen 3.329 N/A ASN 8.A N THR 5.A O no hydrogen 3.150 N/A ARG 9.A NE TYR 162.A O no hydrogen 3.201 N/A ARG 9.A NH1 ASN 4.A OD1 no hydrogen 2.790 N/A ARG 9.A NH2 TYR 162.A O no hydrogen 3.359 N/A ARG 9.A NH2 ASP 163.A O no hydrogen 3.406 N/A SER 13.A N PHE 16.A O no hydrogen 3.096 N/A PHE 16.A N SER 13.A O no hydrogen 3.120 N/A ILE 18.A N ALA 10.A O no hydrogen 3.025 N/A ASN 19.A N ASP 17.A OD1 no hydrogen 2.927 N/A THR 20.A N ASP 17.A O no hydrogen 3.460 N/A THR 20.A OG1 ASP 17.A O no hydrogen 2.968 N/A GLU 23.A N ASP 21.A OD1 no hydrogen 3.045 N/A VAL 24.A N ASP 21.A O no hydrogen 3.468 N/A SER 25.A N ASP 21.A O no hydrogen 3.063 N/A THR 29.A OG1 ASP 74.A OD1 no hydrogen 2.725 N/A VAL 31.A N THR 29.A OG1 no hydrogen 3.245 N/A GLN 33.A N THR 75.A O no hydrogen 2.922 N/A TYR 35.A N GLU 77.A O no hydrogen 3.052 N/A TYR 35.A OH VAL 69.A O no hydrogen 3.364 N/A PHE 37.A N THR 79.A O no hydrogen 2.773 N/A ASN 38.A N ASN 60.A OD1 no hydrogen 2.915 N/A LEU 39.A N ILE 81.A O no hydrogen 3.159 N/A THR 40.A N LEU 58.A O no hydrogen 2.907 N/A VAL 42.A N VAL 56.A O no hydrogen 2.906 N/A ASN 44.A N GLU 54.A O no hydrogen 2.922 N/A TRP 45.A N LYS 53.A O no hydrogen 3.030 N/A GLY 47.A N VAL 51.A O no hydrogen 3.010 N/A GLY 50.A N GLY 47.A O no hydrogen 3.070 N/A VAL 51.A N ASP 49.A OD1 no hydrogen 3.468 N/A LYS 53.A N TRP 45.A O no hydrogen 2.892 N/A LYS 53.A NZ TYR 175.A O no hydrogen 2.882 N/A LYS 55.A NZ GLU 41.A OE2 no hydrogen 2.761 N/A LYS 55.A NZ ASP 43.A OD1 no hydrogen 2.777 N/A VAL 56.A N VAL 42.A O no hydrogen 3.024 N/A MET 57.A N ASN 146.A O no hydrogen 3.108 N/A LEU 58.A N THR 40.A O no hydrogen 2.898 N/A ASN 60.A N ASN 38.A O no hydrogen 2.803 N/A ASN 60.A ND2 VAL 36.A O no hydrogen 3.103 N/A ASN 62.A N ILE 59.A O no hydrogen 3.492 N/A GLY 65.A N VAL 149.A O no hydrogen 2.776 N/A ILE 68.A N THR 151.A O no hydrogen 3.300 N/A VAL 69.A N TYR 35.A OH no hydrogen 3.095 N/A ALA 70.A N GLN 153.A O no hydrogen 3.238 N/A ASN 71.A N ASP 74.A OD2 no hydrogen 2.767 N/A TRP 72.A N ASN 155.A O no hydrogen 2.853 N/A GLY 73.A N ALA 128.A O no hydrogen 2.932 N/A ASP 74.A N ASN 71.A O no hydrogen 3.273 N/A THR 75.A N VAL 31.A O no hydrogen 2.994 N/A VAL 76.A N TRP 126.A O no hydrogen 2.838 N/A GLU 77.A N GLN 33.A O no hydrogen 2.975 N/A VAL 78.A N TYR 124.A O no hydrogen 2.781 N/A THR 79.A N TYR 35.A O no hydrogen 2.906 N/A THR 79.A OG1 THR 123.A OG1 no hydrogen 2.935 N/A VAL 80.A N ARG 122.A O no hydrogen 2.876 N/A ILE 81.A N PHE 37.A O no hydrogen 2.901 N/A ASN 82.A N GLY 120.A O no hydrogen 2.599 N/A ASN 82.A ND2 ASN 87.A O no hydrogen 3.093 N/A ASN 82.A ND2 ILE 115.A O no hydrogen 2.836 N/A ASN 83.A N LEU 39.A O no hydrogen 3.021 N/A ASN 83.A ND2 ASN 38.A OD1 no hydrogen 2.825 N/A LEU 84.A N ASN 82.A OD1 no hydrogen 3.085 N/A VAL 85.A N GLU 41.A OE1 no hydrogen 2.920 N/A THR 89.A N ILE 115.A O no hydrogen 3.076 N/A THR 89.A OG1 SER 90.A O no hydrogen 3.219 N/A THR 89.A OG1 GLN 143.A OE1 no hydrogen 2.891 N/A SER 90.A N THR 89.A OG1 no hydrogen 2.730 N/A SER 90.A OG GLY 106.A O no hydrogen 2.676 N/A ILE 91.A N TYR 124.A OH no hydrogen 3.250 N/A HIS 92.A N HIS 137.A O no hydrogen 2.673 N/A HIS 92.A ND1 ASP 105.A O no hydrogen 2.535 N/A HIS 94.A N TRP 135.A O no hydrogen 2.997 N/A HIS 94.A NE2 ASP 476.A OD1 no hydrogen 2.818 N/A HIS 97.A NE2 ASP 438.A OD2 no hydrogen 2.893 N/A GLN 98.A NE2 THR 101.A O no hydrogen 3.439 N/A GLN 98.A NE2 THR 101.A OG1 no hydrogen 2.974 N/A ASP 100.A N ASN 494.A OD1 no hydrogen 2.876 N/A THR 101.A N GLN 98.A O no hydrogen 2.993 N/A ASN 102.A ND2 ALA 497.A O no hydrogen 3.196 N/A HIS 104.A N THR 101.A O no hydrogen 3.133 N/A HIS 104.A NE2 ASP 531.A OD1 no hydrogen 3.090 N/A ASP 105.A N ASN 102.A O no hydrogen 3.197 N/A ALA 107.A N THR 111.A OG1 no hydrogen 3.135 N/A GLY 109.A N GLU 112.A O no hydrogen 2.866 N/A VAL 110.A N ALA 107.A O no hydrogen 3.209 N/A THR 111.A N ALA 107.A O no hydrogen 2.747 N/A THR 111.A OG1 ALA 107.A O no hydrogen 3.221 N/A GLU 112.A N ALA 107.A O no hydrogen 3.397 N/A CYS 113.A SG TRP 383.A O no hydrogen 3.274 N/A ILE 115.A N THR 89.A O no hydrogen 2.760 N/A LYS 118.A N LEU 84.A O no hydrogen 3.394 N/A LYS 118.A NZ VAL 85.A O no hydrogen 3.379 N/A GLY 119.A N ASN 82.A O no hydrogen 2.802 N/A ARG 122.A N VAL 80.A O no hydrogen 3.125 N/A ARG 122.A NE THR 123.A O no hydrogen 3.291 N/A ARG 122.A NH1 LEU 103.A O no hydrogen 3.106 N/A ARG 122.A NH2 LEU 103.A O no hydrogen 2.763 N/A THR 123.A OG1 THR 79.A OG1 no hydrogen 2.935 N/A TYR 124.A N VAL 78.A O no hydrogen 2.745 N/A TYR 124.A OH GLU 112.A OE1 no hydrogen 2.725 N/A ARG 125.A N HIS 104.A ND1 no hydrogen 3.266 N/A ARG 125.A NH1 GLU 77.A OE1 no hydrogen 3.326 N/A TRP 126.A N VAL 76.A O no hydrogen 2.972 N/A ARG 127.A NE GLY 73.A O no hydrogen 2.760 N/A ARG 127.A NH2 PRO 27.A O no hydrogen 2.738 N/A ALA 128.A N ASP 74.A O no hydrogen 2.859 N/A ARG 129.A N ARG 127.A O no hydrogen 2.974 N/A ARG 129.A NH1 THR 26.A OG1 no hydrogen 3.189 N/A GLN 130.A NE2 MET 253.A O no hydrogen 3.243 N/A GLN 130.A NE2 ASP 438.A OD2 no hydrogen 2.594 N/A GLY 132.A N ILE 154.A O no hydrogen 2.855 N/A THR 133.A OG1 ASP 273.A OD1 no hydrogen 3.056 N/A THR 133.A OG1 ASP 273.A OD2 no hydrogen 2.879 N/A SER 134.A N ILE 152.A O no hydrogen 3.002 N/A SER 134.A OG HIS 94.A O no hydrogen 2.757 N/A SER 134.A OG THR 133.A O no hydrogen 3.247 N/A TYR 136.A N GLY 150.A O no hydrogen 2.851 N/A TYR 136.A OH PRO 66.A O no hydrogen 2.701 N/A HIS 137.A N HIS 92.A O no hydrogen 3.046 N/A HIS 137.A ND1 SER 138.A O no hydrogen 2.743 N/A SER 138.A N VAL 148.A O no hydrogen 3.102 N/A SER 138.A OG GLN 143.A OE1 no hydrogen 2.751 N/A PHE 140.A N SER 138.A OG no hydrogen 3.348 N/A SER 141.A OG ASP 555.A OD1 no hydrogen 2.969 N/A SER 141.A OG ASP 555.A OD2 no hydrogen 3.368 N/A GLN 143.A N PHE 140.A O no hydrogen 3.109 N/A GLN 143.A NE2 ASN 87.A OD1 no hydrogen 2.966 N/A GLN 143.A NE2 GLY 88.A O no hydrogen 2.837 N/A TYR 144.A OH SER 232.A O no hydrogen 2.698 N/A GLY 145.A N ALA 142.A O no hydrogen 2.673 N/A ASN 146.A N GLN 143.A O no hydrogen 2.941 N/A GLY 147.A N TYR 144.A O no hydrogen 3.131 N/A GLY 150.A N TYR 136.A O no hydrogen 3.058 N/A ILE 152.A N SER 134.A O no hydrogen 2.963 N/A GLN 153.A N ILE 68.A O no hydrogen 2.859 N/A GLN 153.A NE2 ASN 155.A OD1 no hydrogen 3.339 N/A ILE 154.A N GLY 132.A O no hydrogen 3.143 N/A ASN 155.A N ALA 70.A O no hydrogen 2.782 N/A ALA 158.A N ARG 9.A O no hydrogen 2.981 N/A SER 159.A OG ILE 249.A O no hydrogen 3.259 N/A SER 159.A OG VAL 256.A O no hydrogen 2.706 N/A ASP 163.A N ARG 223.A O no hydrogen 2.837 N/A ILE 164.A N ARG 223.A O no hydrogen 3.321 N/A LEU 166.A N ARG 225.A O no hydrogen 3.029 N/A GLY 167.A N ASP 165.A OD1 no hydrogen 3.026 N/A PHE 169.A N ARG 227.A O no hydrogen 2.748 N/A ILE 171.A N LEU 229.A O no hydrogen 2.793 N/A THR 172.A N LEU 198.A O no hydrogen 2.998 N/A THR 172.A OG1 ASP 173.A O no hydrogen 3.117 N/A THR 172.A OG1 ASP 173.A OD1 no hydrogen 3.458 N/A ASP 173.A N SER 232.A OG no hydrogen 3.126 N/A TYR 174.A N ASN 196.A O no hydrogen 2.807 N/A TYR 175.A OH ASP 173.A OD2 no hydrogen 3.156 N/A TYR 176.A N ASP 195.A OD2 no hydrogen 2.686 N/A TYR 176.A OH ASP 49.A OD2 no hydrogen 2.605 N/A ALA 179.A N ASN 146.A OD1 no hydrogen 2.919 N/A LEU 182.A N ALA 178.A O no hydrogen 3.150 N/A VAL 183.A N ALA 179.A O no hydrogen 2.898 N/A HIS 184.A N ASP 180.A O no hydrogen 3.294 N/A PHE 185.A N ASP 181.A O no hydrogen 2.943 N/A THR 186.A N LEU 182.A O no hydrogen 2.944 N/A THR 186.A OG1 LEU 182.A O no hydrogen 2.806 N/A THR 186.A OG1 VAL 183.A O no hydrogen 3.100 N/A GLN 187.A N VAL 183.A O no hydrogen 3.115 N/A GLN 187.A NE2 ILE 554.A O no hydrogen 2.838 N/A ASN 188.A N PHE 185.A O no hydrogen 3.287 N/A ASN 189.A N PHE 185.A O no hydrogen 2.820 N/A ASN 189.A ND2 PHE 185.A O no hydrogen 3.249 N/A SER 194.A N GLY 299.A O no hydrogen 2.969 N/A SER 194.A OG ASN 196.A O no hydrogen 3.277 N/A SER 194.A OG ASN 235.A OD1 no hydrogen 2.872 N/A SER 194.A OG GLY 299.A O no hydrogen 3.382 N/A SER 194.A OG SER 300.A OG no hydrogen 2.754 N/A ASP 195.A N TYR 174.A O no hydrogen 3.031 N/A ASN 196.A N TYR 174.A O no hydrogen 3.166 N/A ASN 196.A ND2 VAL 204.A O no hydrogen 2.936 N/A VAL 197.A N ASN 196.A OD1 no hydrogen 2.814 N/A LEU 198.A N THR 172.A O no hydrogen 2.877 N/A ILE 199.A N THR 202.A O no hydrogen 2.887 N/A ASN 200.A N PRO 170.A O no hydrogen 2.998 N/A THR 202.A N ILE 199.A O no hydrogen 3.405 N/A THR 202.A OG1 GLN 212.A O no hydrogen 2.871 N/A ASN 205.A N GLU 210.A O no hydrogen 3.056 N/A ASN 205.A ND2 ASP 49.A O no hydrogen 3.607 N/A ASN 205.A ND2 ASP 49.A OD2 no hydrogen 3.155 N/A ASN 207.A N ASN 205.A OD1 no hydrogen 3.237 N/A THR 208.A N ASN 205.A OD1 no hydrogen 3.187 N/A GLU 210.A N THR 208.A OG1 no hydrogen 3.216 N/A VAL 216.A N ILE 308.A O no hydrogen 2.984 N/A LEU 218.A N HIS 310.A O no hydrogen 2.668 N/A THR 219.A N HIS 224.A NE2 no hydrogen 2.859 N/A GLY 221.A N ALA 278.A O no hydrogen 3.068 N/A LYS 222.A N THR 219.A O no hydrogen 3.232 N/A ARG 223.A N ASP 163.A OD2 no hydrogen 3.190 N/A HIS 224.A N ILE 276.A O no hydrogen 2.886 N/A ARG 225.A N ILE 164.A O no hydrogen 2.788 N/A ARG 225.A NE ASP 273.A OD2 no hydrogen 3.145 N/A ARG 225.A NH1 TYR 162.A OH no hydrogen 2.799 N/A ARG 225.A NH2 ASP 273.A OD2 no hydrogen 2.774 N/A LEU 226.A N VAL 274.A O no hydrogen 2.602 N/A ARG 227.A N GLY 167.A O no hydrogen 3.240 N/A ARG 227.A NE ASP 165.A OD1 no hydrogen 3.031 N/A ARG 227.A NE ASP 165.A OD2 no hydrogen 3.245 N/A ARG 227.A NH1 THR 133.A OG1 no hydrogen 3.076 N/A ARG 227.A NH2 ASP 165.A OD2 no hydrogen 2.713 N/A ILE 228.A N TYR 272.A O no hydrogen 2.866 N/A LEU 229.A N PHE 169.A O no hydrogen 3.348 N/A ASN 230.A N GLN 270.A O no hydrogen 3.009 N/A ASN 230.A ND2 ASN 235.A O no hydrogen 3.242 N/A ASN 230.A ND2 LEU 266.A O no hydrogen 2.682 N/A THR 231.A N ILE 171.A O no hydrogen 3.019 N/A SER 232.A N ASN 230.A OD1 no hydrogen 3.277 N/A SER 232.A OG ASN 230.A OD1 no hydrogen 2.860 N/A SER 232.A OG ASN 235.A O no hydrogen 3.226 N/A THR 233.A N ASP 173.A OD1 no hydrogen 3.069 N/A THR 233.A N ASP 173.A OD2 no hydrogen 3.302 N/A THR 233.A OG1 ASP 173.A OD1 no hydrogen 3.253 N/A THR 233.A OG1 ASP 173.A OD2 no hydrogen 3.250 N/A GLU 234.A N ASP 173.A OD2 no hydrogen 3.074 N/A ASN 235.A N ASP 173.A OD2 no hydrogen 3.030 N/A ASN 235.A ND2 GLU 234.A OE1 no hydrogen 2.963 N/A ASN 235.A ND2 GLY 299.A O no hydrogen 3.341 N/A HIS 236.A N CYS 297.A O no hydrogen 3.245 N/A HIS 236.A ND1 CYS 297.A O no hydrogen 2.986 N/A PHE 237.A N LEU 266.A O no hydrogen 2.959 N/A GLN 238.A N THR 290.A O no hydrogen 3.198 N/A GLN 238.A NE2 THR 290.A OG1 no hydrogen 3.404 N/A VAL 239.A N LEU 264.A O no hydrogen 2.833 N/A SER 240.A N ASN 288.A O no hydrogen 3.144 N/A VAL 242.A N TRP 286.A O no hydrogen 3.027 N/A HIS 244.A N LEU 241.A O no hydrogen 3.215 N/A HIS 244.A ND1 VAL 242.A O no hydrogen 2.829 N/A HIS 244.A NE2 TYR 311.A OH no hydrogen 2.732 N/A MET 246.A N VAL 261.A O no hydrogen 2.890 N/A THR 247.A N VAL 275.A O no hydrogen 3.101 N/A THR 247.A OG1 THR 260.A OG1 no hydrogen 3.148 N/A VAL 248.A N MET 259.A O no hydrogen 2.943 N/A ILE 249.A N ASP 273.A O no hydrogen 2.830 N/A ALA 251.A N VAL 254.A O no hydrogen 2.971 N/A ASP 252.A N ARG 271.A O no hydrogen 2.965 N/A VAL 254.A N ALA 251.A O no hydrogen 3.100 N/A VAL 256.A N ILE 249.A O no hydrogen 2.960 N/A ASN 257.A N ARG 338.A O no hydrogen 2.846 N/A MET 259.A N VAL 248.A O no hydrogen 3.238 N/A THR 260.A OG1 THR 247.A OG1 no hydrogen 3.148 N/A VAL 261.A N MET 246.A O no hydrogen 2.867 N/A SER 263.A OG HIS 329.A NE2 no hydrogen 3.027 N/A LEU 264.A N VAL 239.A O no hydrogen 2.940 N/A LEU 266.A N PHE 237.A O no hydrogen 2.671 N/A ALA 267.A N GLN 270.A OE1 no hydrogen 2.831 N/A GLY 269.A N ASN 230.A O no hydrogen 2.987 N/A GLN 270.A N ALA 267.A O no hydrogen 2.888 N/A GLN 270.A NE2 ASP 333.A OD2 no hydrogen 2.855 N/A GLN 270.A NE2 THR 477.A O no hydrogen 2.823 N/A ARG 271.A N ASP 252.A OD1 no hydrogen 2.900 N/A ARG 271.A NE THR 133.A O no hydrogen 3.341 N/A ARG 271.A NH1 GLY 269.A O no hydrogen 2.615 N/A ARG 271.A NH1 ASP 476.A OD1 no hydrogen 2.916 N/A ARG 271.A NH1 ASP 476.A OD2 no hydrogen 3.392 N/A ARG 271.A NH2 SER 134.A OG no hydrogen 3.020 N/A ARG 271.A NH2 ASP 476.A OD2 no hydrogen 2.660 N/A TYR 272.A N ILE 228.A O no hydrogen 2.848 N/A ASP 273.A N ALA 250.A O no hydrogen 2.983 N/A VAL 274.A N LEU 226.A O no hydrogen 2.721 N/A VAL 275.A N THR 247.A O no hydrogen 2.842 N/A ILE 276.A N HIS 224.A O no hydrogen 2.768 N/A ALA 278.A N LYS 222.A O no hydrogen 3.394 N/A SER 279.A OG ASP 277.A O no hydrogen 3.560 N/A ARG 280.A N TYR 311.A OH no hydrogen 3.223 N/A ASN 284.A ND2 PRO 315.A O no hydrogen 2.718 N/A TYR 285.A N PHE 309.A O no hydrogen 3.038 N/A TYR 285.A OH ALA 281.A O no hydrogen 2.775 N/A PHE 287.A N ALA 307.A O no hydrogen 2.776 N/A ASN 288.A N SER 240.A O no hydrogen 2.735 N/A VAL 289.A N PRO 305.A O no hydrogen 3.148 N/A THR 290.A N GLN 238.A O no hydrogen 2.906 N/A THR 290.A OG1 GLN 238.A O no hydrogen 3.420 N/A GLY 293.A N ASP 328.A OD1 no hydrogen 2.656 N/A GLN 294.A NE2 GLN 330.A OE1 no hydrogen 2.749 N/A ALA 296.A N GLY 293.A O no hydrogen 2.897 N/A SER 300.A OG SER 194.A O no hydrogen 3.188 N/A SER 300.A OG SER 194.A OG no hydrogen 2.754 N/A LEU 301.A N SER 194.A O no hydrogen 2.616 N/A ASN 302.A N SER 300.A OG no hydrogen 3.420 N/A ASN 302.A ND2 ASN 196.A OD1 no hydrogen 2.759 N/A HIS 304.A N ASN 302.A OD1 no hydrogen 3.116 N/A ALA 307.A N PHE 287.A O no hydrogen 3.038 N/A ILE 308.A N ALA 214.A O no hydrogen 2.764 N/A PHE 309.A N TYR 285.A O no hydrogen 2.831 N/A HIS 310.A N VAL 216.A O no hydrogen 2.816 N/A HIS 310.A NE2 ALA 314.A O no hydrogen 2.939 N/A TYR 311.A OH HIS 244.A NE2 no hydrogen 2.732 N/A ALA 312.A N LEU 218.A O no hydrogen 2.831 N/A ALA 314.A N TYR 311.A O no hydrogen 3.125 N/A GLY 323.A N ASP 321.A OD1 no hydrogen 3.167 N/A HIS 329.A N GLN 238.A OE1 no hydrogen 2.817 N/A HIS 329.A NE2 SER 263.A OG no hydrogen 3.027 N/A GLN 330.A N ASP 328.A OD1 no hydrogen 3.145 N/A GLN 330.A NE2 GLN 294.A OE1 no hydrogen 3.648 N/A CYS 331.A SG GLY 292.A O no hydrogen 3.791 N/A CYS 331.A SG GLY 293.A O no hydrogen 3.953 N/A LEU 332.A N HIS 329.A O no hydrogen 3.204 N/A ASP 333.A N ASP 333.A OD1 no hydrogen 2.615 N/A ASP 336.A N THR 334.A OG1 no hydrogen 3.368 N/A ARG 338.A NH1 LEU 335.A O no hydrogen 2.969 N/A ARG 338.A NH1 VAL 337.A O no hydrogen 3.011 N/A VAL 340.A N PRO 255.A O no hydrogen 2.951 N/A ARG 343.A NH1 ASP 21.A OD2 no hydrogen 3.009 N/A ARG 343.A NH1 PRO 342.A O no hydrogen 3.214 N/A ARG 343.A NH2 ASP 21.A OD1 no hydrogen 2.871 N/A ARG 343.A NH2 ASP 21.A OD2 no hydrogen 2.965 N/A ARG 343.A NH2 GLU 23.A OE1 no hydrogen 2.920 N/A VAL 345.A N GLY 469.A O no hydrogen 3.004 N/A LYS 352.A NZ GLU 419.A OE2 no hydrogen 3.055 N/A ARG 353.A N ASN 356.A OD1 no hydrogen 3.030 N/A ASN 356.A N ARG 353.A O no hydrogen 3.068 N/A ASN 356.A ND2 VAL 351.A O no hydrogen 2.877 N/A THR 357.A N PRO 354.A O no hydrogen 3.452 N/A THR 357.A OG1 ARG 353.A O no hydrogen 2.785 N/A THR 357.A OG1 ASN 356.A OD1 no hydrogen 3.216 N/A LEU 358.A N LEU 417.A O no hydrogen 2.745 N/A VAL 360.A N GLU 419.A O no hydrogen 2.794 N/A ALA 361.A N LYS 373.A O no hydrogen 2.723 N/A LEU 362.A N ASP 421.A OD2 no hydrogen 3.061 N/A ASP 363.A N VAL 371.A O no hydrogen 2.927 N/A THR 365.A N ASP 363.A OD1 no hydrogen 3.121 N/A THR 365.A OG1 ASP 363.A OD1 no hydrogen 2.721 N/A LEU 369.A N ASN 188.A OD1 no hydrogen 3.199 N/A PHE 370.A N GLN 187.A O no hydrogen 2.721 N/A TRP 372.A N GLY 510.A O no hydrogen 3.088 N/A LYS 373.A N ALA 361.A O no hydrogen 2.682 N/A LYS 373.A NZ ASP 363.A OD2 no hydrogen 3.381 N/A VAL 374.A N SER 377.A O no hydrogen 2.881 N/A ASN 375.A N PRO 359.A O no hydrogen 2.822 N/A SER 377.A OG ASN 403.A OD1 no hydrogen 2.636 N/A ILE 379.A N GLY 511.A O no hydrogen 3.097 N/A ASN 380.A N SER 401.A O no hydrogen 2.790 N/A VAL 381.A N SER 556.A O no hydrogen 3.140 N/A TRP 383.A NE1 GLY 557.A O no hydrogen 3.196 N/A GLY 384.A N ASP 382.A OD1 no hydrogen 3.020 N/A LYS 385.A N ASP 382.A O no hydrogen 3.242 N/A ILE 388.A N VAL 110.A O no hydrogen 3.204 N/A ASP 389.A N PRO 386.A O no hydrogen 3.057 N/A ILE 391.A N ILE 387.A O no hydrogen 3.181 N/A LEU 392.A N ILE 388.A O no hydrogen 2.913 N/A THR 393.A N ASP 389.A O no hydrogen 3.031 N/A THR 393.A OG1 ASP 389.A O no hydrogen 2.637 N/A GLY 394.A N ILE 391.A O no hydrogen 3.471 N/A ASN 395.A N TYR 390.A O no hydrogen 2.804 N/A SER 397.A N ASN 395.A OD1 no hydrogen 3.051 N/A ASP 402.A N PRO 399.A O no hydrogen 3.202 N/A ASN 403.A N VAL 400.A O no hydrogen 3.195 N/A ASN 403.A ND2 SER 377.A O no hydrogen 2.939 N/A ASN 403.A ND2 SER 513.A O no hydrogen 3.081 N/A VAL 405.A N ASP 515.A O no hydrogen 2.851 N/A GLN 406.A NE2 ASP 408.A OD1 no hydrogen 3.258 N/A GLN 406.A NE2 ASP 408.A OD2 no hydrogen 3.416 N/A VAL 407.A N LEU 517.A O no hydrogen 3.136 N/A ASP 411.A N THR 492.A O no hydrogen 3.129 N/A GLN 412.A N THR 492.A OG1 no hydrogen 3.064 N/A GLN 412.A NE2 ASP 411.A O no hydrogen 3.188 N/A THR 414.A N PHE 490.A O no hydrogen 3.049 N/A THR 414.A OG1 PHE 490.A O no hydrogen 2.964 N/A TRP 416.A N LEU 488.A O no hydrogen 2.876 N/A TRP 416.A NE1 THR 414.A OG1 no hydrogen 3.035 N/A LEU 417.A N ASN 356.A O no hydrogen 2.884 N/A ILE 418.A N LEU 486.A O no hydrogen 2.750 N/A GLU 419.A N LEU 358.A O no hydrogen 3.077 N/A ASN 420.A N GLY 484.A O no hydrogen 2.728 N/A ASN 420.A ND2 LEU 428.A O no hydrogen 2.998 N/A ASN 420.A ND2 PRO 481.A O no hydrogen 2.656 N/A ASP 421.A N VAL 360.A O no hydrogen 2.862 N/A GLY 424.A N ASP 421.A O no hydrogen 3.464 N/A SER 427.A N GLN 453.A OE1 no hydrogen 3.352 N/A SER 427.A OG ASN 420.A O no hydrogen 2.805 N/A HIS 430.A N LEU 480.A O no hydrogen 2.862 N/A MET 432.A N THR 478.A O no hydrogen 2.734 N/A HIS 433.A N HIS 501.A O no hydrogen 2.802 N/A HIS 433.A ND1 ASP 476.A O no hydrogen 2.739 N/A LEU 434.A N ASP 476.A O no hydrogen 3.068 N/A HIS 435.A N LEU 499.A O no hydrogen 2.968 N/A HIS 435.A ND1 ASP 105.A OD2 no hydrogen 2.657 N/A HIS 437.A NE2 GLU 518.A OE1 no hydrogen 2.582 N/A PHE 439.A N ARG 475.A O no hydrogen 2.782 N/A LEU 440.A N ALA 489.A O no hydrogen 2.711 N/A VAL 441.A N PRO 473.A O no hydrogen 2.961 N/A LEU 442.A N LEU 487.A O no hydrogen 2.949 N/A ARG 444.A NE ASP 447.A OD1 no hydrogen 2.959 N/A ARG 444.A NH1 ASP 333.A O no hydrogen 2.801 N/A ARG 444.A NH2 ASP 333.A O no hydrogen 3.217 N/A ARG 444.A NH2 ASP 447.A OD2 no hydrogen 2.993 N/A SER 445.A N TRP 485.A O no hydrogen 3.232 N/A ALA 450.A N GLN 330.A OE1 no hydrogen 3.030 N/A SER 452.A N PRO 449.A O no hydrogen 2.972 N/A SER 452.A OG PRO 449.A O no hydrogen 2.537 N/A GLN 453.A NE2 SER 427.A O no hydrogen 3.381 N/A ARG 455.A NE GLN 453.A O no hydrogen 3.494 N/A ARG 455.A NH1 GLY 424.A O no hydrogen 2.906 N/A ARG 455.A NH2 GLY 424.A O no hydrogen 3.007 N/A ARG 455.A NH2 PRO 425.A O no hydrogen 2.963 N/A PHE 456.A N GLY 483.A O no hydrogen 3.136 N/A ASP 459.A N ASP 463.A OD2 no hydrogen 2.764 N/A VAL 462.A N ASP 459.A O no hydrogen 3.237 N/A ASP 463.A N ASP 459.A O no hydrogen 2.919 N/A LEU 464.A N PRO 460.A O no hydrogen 3.472 N/A ARG 466.A N ASP 463.A O no hydrogen 3.044 N/A ARG 466.A NH1 ARG 444.A O no hydrogen 2.671 N/A ARG 466.A NH2 ARG 444.A O no hydrogen 2.987 N/A ASN 468.A N LEU 442.A O no hydrogen 2.971 N/A ASN 468.A ND2 ASP 470.A O no hydrogen 3.130 N/A ASP 470.A N ASN 468.A OD1 no hydrogen 3.500 N/A ASN 471.A N ARG 343.A O no hydrogen 3.195 N/A ASN 471.A ND2 PRO 339.A O no hydrogen 2.771 N/A ARG 474.A NH1 VAL 341.A O no hydrogen 2.861 N/A ARG 474.A NH2 TYR 22.A OH no hydrogen 2.718 N/A ARG 474.A NH2 VAL 341.A O no hydrogen 3.172 N/A ARG 475.A N PHE 439.A O no hydrogen 3.117 N/A ARG 475.A NE ASP 252.A OD2 no hydrogen 3.073 N/A ARG 475.A NH1 TYR 272.A OH no hydrogen 2.821 N/A ARG 475.A NH2 ASP 252.A OD1 no hydrogen 3.072 N/A ASP 476.A N ASP 252.A OD2 no hydrogen 3.314 N/A THR 477.A N ASP 252.A OD2 no hydrogen 3.317 N/A THR 477.A OG1 HIS 433.A ND1 no hydrogen 3.245 N/A THR 477.A OG1 ASP 476.A OD1 no hydrogen 2.700 N/A THR 478.A N MET 432.A O no hydrogen 3.015 N/A THR 478.A OG1 ASP 333.A OD1 no hydrogen 3.329 N/A THR 478.A OG1 ASP 333.A OD2 no hydrogen 2.645 N/A MET 479.A N ASP 333.A OD1 no hydrogen 3.013 N/A LEU 480.A N HIS 430.A O no hydrogen 2.670 N/A GLY 483.A N SER 427.A OG no hydrogen 2.992 N/A GLY 484.A N PRO 481.A O no hydrogen 3.176 N/A TRP 485.A N SER 445.A OG no hydrogen 3.299 N/A LEU 486.A N ILE 418.A O no hydrogen 2.795 N/A LEU 487.A N GLY 443.A O no hydrogen 2.903 N/A LEU 488.A N TRP 416.A O no hydrogen 2.855 N/A ALA 489.A N LEU 440.A O no hydrogen 3.008 N/A PHE 490.A N THR 414.A O no hydrogen 3.156 N/A ARG 491.A NE ASP 411.A O no hydrogen 3.060 N/A ARG 491.A NH2 ASP 411.A O no hydrogen 3.496 N/A THR 492.A N GLN 412.A O no hydrogen 3.071 N/A THR 492.A OG1 ALA 409.A O no hydrogen 2.741 N/A THR 492.A OG1 GLN 412.A O no hydrogen 3.152 N/A ASP 493.A N ARG 491.A O no hydrogen 2.792 N/A ASN 494.A N GLU 518.A OE2 no hydrogen 2.822 N/A ASN 494.A ND2 GLN 98.A O no hydrogen 3.021 N/A ASN 494.A ND2 GLY 436.A O no hydrogen 3.572 N/A GLY 496.A N GLU 518.A O no hydrogen 2.795 N/A ALA 497.A N ASN 102.A OD1 no hydrogen 2.850 N/A TRP 498.A N PHE 516.A O no hydrogen 2.796 N/A TRP 498.A NE1 ASN 494.A O no hydrogen 2.853 N/A PHE 500.A N VAL 514.A O no hydrogen 3.059 N/A HIS 501.A N HIS 433.A O no hydrogen 2.936 N/A HIS 501.A ND1 CYS 502.A O no hydrogen 2.630 N/A CYS 502.A N LEU 512.A O no hydrogen 3.233 N/A CYS 502.A SG HIS 430.A ND1 no hydrogen 3.879 N/A CYS 502.A SG HIS 507.A ND1 no hydrogen 3.994 N/A HIS 503.A N PRO 431.A O no hydrogen 2.946 N/A HIS 503.A ND1 HIS 503.A O no hydrogen 2.638 N/A ALA 505.A N THR 233.A O no hydrogen 2.698 N/A HIS 507.A N ILE 504.A O no hydrogen 3.029 N/A VAL 508.A N ILE 504.A O no hydrogen 3.148 N/A SER 509.A N ALA 505.A O no hydrogen 3.150 N/A SER 509.A OG ALA 505.A O no hydrogen 3.028 N/A SER 509.A OG ASP 555.A OD2 no hydrogen 3.240 N/A GLY 510.A N TRP 506.A O no hydrogen 3.016 N/A GLY 511.A N HIS 507.A O no hydrogen 3.056 N/A GLY 511.A N VAL 508.A O no hydrogen 3.264 N/A LEU 512.A N HIS 507.A O no hydrogen 3.001 N/A SER 513.A OG PHE 500.A O no hydrogen 3.423 N/A SER 513.A OG VAL 514.A O no hydrogen 3.250 N/A VAL 514.A N PHE 500.A O no hydrogen 2.911 N/A ASP 515.A N ASN 403.A O no hydrogen 2.739 N/A PHE 516.A N TRP 498.A O no hydrogen 2.699 N/A LEU 517.A N VAL 405.A O no hydrogen 3.255 N/A GLU 518.A N GLY 496.A O no hydrogen 2.811 N/A ARG 519.A N VAL 407.A O no hydrogen 3.015 N/A ARG 519.A NE ASP 522.A OD2 no hydrogen 2.741 N/A ARG 519.A NH1 THR 492.A O no hydrogen 2.803 N/A ARG 519.A NH2 ASP 522.A OD2 no hydrogen 3.181 N/A LEU 523.A N ARG 519.A O no hydrogen 3.052 N/A ARG 524.A N PRO 520.A O no hydrogen 3.482 N/A ARG 526.A N LEU 523.A O no hydrogen 3.151 N/A ARG 526.A NE ASP 522.A O no hydrogen 3.250 N/A ARG 526.A NH1 ASP 100.A OD1 no hydrogen 3.497 N/A ASP 531.A N SER 528.A OG no hydrogen 3.379 N/A GLU 532.A N SER 528.A O no hydrogen 3.019 N/A ASP 533.A N GLN 529.A O no hydrogen 3.107 N/A ASP 534.A N GLU 530.A O no hydrogen 3.077 N/A PHE 535.A N ASP 531.A O no hydrogen 3.063 N/A ASN 536.A N GLU 532.A O no hydrogen 3.088 N/A ARG 537.A N ASP 533.A O no hydrogen 2.795 N/A ARG 537.A NH1 GLN 121.A O no hydrogen 3.569 N/A ARG 537.A NH1 GLU 541.A OE2 no hydrogen 3.065 N/A ARG 537.A NH2 GLN 121.A O no hydrogen 3.041 N/A ARG 537.A NH2 ASP 534.A OD1 no hydrogen 3.228 N/A VAL 538.A N ASP 534.A O no hydrogen 2.911 N/A CYS 539.A N PHE 535.A O no hydrogen 2.984 N/A CYS 539.A SG PHE 535.A O no hydrogen 3.245 N/A ASP 540.A N ASN 536.A O no hydrogen 2.897 N/A GLU 541.A N ARG 537.A O no hydrogen 3.103 N/A TRP 542.A N VAL 538.A O no hydrogen 3.113 N/A ARG 543.A N CYS 539.A O no hydrogen 3.001 N/A ARG 543.A NH1 GLY 384.A O no hydrogen 2.843 N/A ALA 544.A N ASP 540.A O no hydrogen 3.150 N/A TYR 545.A N GLU 541.A O no hydrogen 3.210 N/A TYR 545.A OH THR 86.A O no hydrogen 2.992 N/A TRP 546.A N TRP 542.A O no hydrogen 2.916 N/A THR 548.A N TYR 545.A O no hydrogen 3.004 N/A THR 548.A OG1 TYR 545.A O no hydrogen 2.633 N/A ASN 549.A N TRP 546.A O no hydrogen 3.135 N/A ASN 549.A ND2 TYR 545.A OH no hydrogen 2.453 N/A LYS 553.A NZ ASN 380.A OD1 no hydrogen 2.755 N/A LYS 553.A NZ VAL 381.A O no hydrogen 3.222 N/A LYS 553.A NZ ASP 555.A O no hydrogen 3.281 N/A LYS 553.A NZ SER 556.A O no hydrogen 2.923 N/A SER 556.A N SER 509.A O no hydrogen 3.198 N/A SER 556.A OG VAL 508.A O no hydrogen 2.750 N/A ALA 558.A N SER 556.A OG no hydrogen 3.057 N/A