Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 129.A O no hydrogen 2.911 N/A VAL 5.A N ARG 131.A O no hydrogen 2.837 N/A ASP 6.A N THR 30.A O no hydrogen 3.148 N/A ASP 6.A N THR 30.A OG1 no hydrogen 2.988 N/A ALA 7.A N THR 30.A O no hydrogen 2.961 N/A VAL 8.A N TYR 134.A O no hydrogen 2.985 N/A VAL 9.A N VAL 32.A O no hydrogen 2.674 N/A ILE 10.A N VAL 136.A O no hydrogen 2.960 N/A GLY 11.A N PHE 34.A O no hydrogen 2.789 N/A ALA 12.A N ASP 35.A OD2 no hydrogen 3.137 N/A ILE 17.A N GLY 13.A O no hydrogen 3.027 N/A TYR 18.A N PHE 14.A O no hydrogen 3.200 N/A TYR 18.A OH GLU 442.A OE1 no hydrogen 2.848 N/A ALA 19.A N GLY 15.A O no hydrogen 2.881 N/A VAL 20.A N GLY 16.A O no hydrogen 2.890 N/A HIS 21.A N ILE 17.A O no hydrogen 3.155 N/A HIS 21.A ND1 HIS 25.A ND1 no hydrogen 2.907 N/A LYS 22.A N TYR 18.A O no hydrogen 2.897 N/A LYS 22.A NZ GLU 26.A OE1 no hydrogen 2.512 N/A LYS 22.A NZ GLU 26.A OE2 no hydrogen 3.319 N/A LEU 23.A N ALA 19.A O no hydrogen 2.895 N/A HIS 24.A N VAL 20.A O no hydrogen 2.938 N/A HIS 24.A ND1 LEU 29.A O no hydrogen 3.063 N/A HIS 25.A N HIS 21.A O no hydrogen 2.863 N/A HIS 25.A ND1 HIS 21.A ND1 no hydrogen 2.907 N/A GLU 26.A N LYS 22.A O no hydrogen 3.141 N/A LEU 27.A N LYS 22.A O no hydrogen 3.057 N/A LEU 29.A N LEU 23.A O no hydrogen 3.022 N/A THR 30.A N ASP 6.A OD1 no hydrogen 3.064 N/A THR 30.A OG1 ASP 6.A OD1 no hydrogen 3.248 N/A THR 31.A OG1 LEU 29.A O no hydrogen 2.909 N/A VAL 32.A N ALA 7.A O no hydrogen 3.039 N/A GLY 33.A N HIS 101.A O no hydrogen 3.036 N/A PHE 34.A N VAL 9.A O no hydrogen 2.914 N/A ASP 35.A N LYS 103.A O no hydrogen 3.192 N/A ALA 37.A N ASP 35.A OD1 no hydrogen 2.989 N/A ASP 38.A N TYR 45.A OH no hydrogen 2.921 N/A GLY 41.A N ALA 12.A O no hydrogen 2.889 N/A TRP 44.A N GLY 41.A O no hydrogen 3.094 N/A TRP 44.A NE1 TYR 61.A OH no hydrogen 2.793 N/A TYR 45.A N GLY 42.A O no hydrogen 2.925 N/A TRP 46.A N GLY 42.A O no hydrogen 2.998 N/A ASN 47.A N THR 43.A O no hydrogen 2.827 N/A ARG 48.A N TRP 46.A O no hydrogen 2.946 N/A ALA 52.A N TYR 49.A O no hydrogen 3.216 N/A SER 54.A N ILE 80.A O no hydrogen 3.001 N/A SER 54.A OG THR 56.A O no hydrogen 2.721 N/A SER 54.A OG ILE 80.A O no hydrogen 3.329 N/A THR 56.A OG1 ASN 432.A OD1 no hydrogen 2.955 N/A SER 58.A N THR 78.A O no hydrogen 2.881 N/A SER 58.A OG THR 77.A O no hydrogen 2.769 N/A HIS 59.A N HIS 59.A ND1 no hydrogen 2.953 N/A LEU 60.A N GLU 57.A O no hydrogen 2.738 N/A TYR 61.A N GLU 57.A O no hydrogen 3.143 N/A ARG 62.A NE SER 58.A O no hydrogen 2.777 N/A ARG 62.A NH2 SER 58.A O no hydrogen 2.873 N/A PHE 63.A N TYR 88.A OH no hydrogen 2.891 N/A SER 64.A N GLU 438.A OE2 no hydrogen 2.664 N/A SER 64.A OG GLU 438.A OE1 no hydrogen 2.515 N/A SER 64.A OG GLU 438.A OE2 no hydrogen 3.522 N/A PHE 65.A N GLU 438.A OE2 no hydrogen 3.187 N/A LEU 69.A N ASP 66.A OD2 no hydrogen 2.884 N/A LEU 70.A N ASP 66.A O no hydrogen 3.145 N/A GLU 72.A N ASP 68.A O no hydrogen 3.008 N/A GLU 72.A N LEU 69.A O no hydrogen 3.035 N/A SER 73.A N LEU 69.A O no hydrogen 3.125 N/A SER 73.A OG LEU 69.A O no hydrogen 3.385 N/A THR 77.A OG1 TYR 79.A O no hydrogen 2.374 N/A THR 77.A OG1 ASN 215.A OD1 no hydrogen 3.424 N/A THR 78.A N ARG 216.A O no hydrogen 2.850 N/A THR 78.A OG1 GLY 214.A O no hydrogen 3.320 N/A THR 78.A OG1 ARG 216.A O no hydrogen 3.330 N/A TYR 79.A N ASN 215.A OD1 no hydrogen 2.876 N/A ILE 80.A N SER 54.A OG no hydrogen 3.333 N/A THR 81.A N GLU 84.A OE2 no hydrogen 3.216 N/A THR 81.A OG1 GLU 84.A OE2 no hydrogen 3.121 N/A GLN 82.A N ALA 52.A O no hydrogen 3.051 N/A GLN 82.A NE2 TRP 44.A O no hydrogen 2.977 N/A ILE 85.A N THR 81.A O no hydrogen 2.984 N/A LEU 86.A N GLN 82.A O no hydrogen 2.717 N/A GLU 87.A N PRO 83.A O no hydrogen 2.849 N/A TYR 88.A N GLU 84.A O no hydrogen 2.939 N/A LEU 89.A N ILE 85.A O no hydrogen 2.885 N/A GLU 90.A N LEU 86.A O no hydrogen 3.056 N/A ASP 91.A N GLU 87.A O no hydrogen 3.112 N/A VAL 92.A N TYR 88.A O no hydrogen 3.059 N/A VAL 93.A N LEU 89.A O no hydrogen 2.981 N/A ASP 94.A N GLU 90.A O no hydrogen 2.992 N/A ARG 95.A N ASP 91.A O no hydrogen 2.591 N/A ARG 95.A NE ASP 66.A OD1 no hydrogen 3.482 N/A ARG 95.A NH1 GLU 72.A OE1 no hydrogen 2.642 N/A ARG 95.A NH2 ASP 66.A OD1 no hydrogen 3.396 N/A ARG 95.A NH2 ASP 66.A OD2 no hydrogen 3.449 N/A PHE 96.A N VAL 92.A O no hydrogen 3.155 N/A ASP 97.A N ASP 94.A O no hydrogen 3.162 N/A LEU 98.A N VAL 93.A O no hydrogen 2.937 N/A HIS 101.A N LEU 98.A O no hydrogen 2.837 N/A PHE 102.A N ARG 99.A O no hydrogen 3.227 N/A LYS 103.A N GLY 33.A O no hydrogen 2.723 N/A GLY 105.A N ALA 37.A O no hydrogen 2.912 N/A THR 106.A N ASP 35.A O no hydrogen 2.772 N/A THR 106.A OG1 PHE 104.A O no hydrogen 2.703 N/A GLU 107.A N ASP 125.A OD1 no hydrogen 3.497 N/A THR 109.A N THR 123.A O no hydrogen 2.837 N/A THR 109.A OG1 THR 123.A O no hydrogen 3.071 N/A SER 110.A N THR 123.A O no hydrogen 3.286 N/A ALA 111.A N GLU 389.A O no hydrogen 2.916 N/A LEU 112.A N GLU 121.A O no hydrogen 2.807 N/A TYR 113.A N ARG 391.A O no hydrogen 2.838 N/A LEU 114.A N LEU 119.A O no hydrogen 2.791 N/A ASN 118.A ND2 TYR 113.A OH no hydrogen 2.879 N/A TRP 120.A N ALA 132.A O no hydrogen 2.714 N/A TRP 120.A NE1 PRO 418.A O no hydrogen 2.863 N/A GLU 121.A N LEU 112.A O no hydrogen 2.676 N/A VAL 122.A N TYR 130.A O no hydrogen 2.825 N/A THR 123.A N SER 110.A O no hydrogen 2.818 N/A THR 124.A N GLU 128.A O no hydrogen 3.029 N/A THR 124.A OG1 GLU 128.A OE1 no hydrogen 2.751 N/A ASP 125.A N GLU 107.A O no hydrogen 2.844 N/A HIS 126.A N THR 124.A OG1 no hydrogen 3.007 N/A HIS 126.A NE2 GLY 105.A O no hydrogen 3.057 N/A GLY 127.A N THR 124.A O no hydrogen 2.941 N/A TYR 130.A N VAL 122.A O no hydrogen 2.837 N/A ARG 131.A N HIS 3.A O no hydrogen 2.694 N/A ARG 131.A NE GLU 121.A OE2 no hydrogen 2.979 N/A ARG 131.A NH2 GLU 121.A OE2 no hydrogen 3.159 N/A ALA 132.A N TRP 120.A O no hydrogen 2.905 N/A LYS 133.A NZ GLU 452.A OE2 no hydrogen 3.084 N/A TYR 134.A N ASP 6.A O no hydrogen 2.971 N/A TYR 134.A OH GLU 452.A OE2 no hydrogen 2.619 N/A VAL 135.A N ASN 419.A O no hydrogen 3.060 N/A VAL 136.A N VAL 8.A O no hydrogen 2.853 N/A ASN 137.A N PHE 421.A O no hydrogen 2.728 N/A ALA 138.A N ILE 10.A O no hydrogen 2.757 N/A SER 143.A OG VAL 139.A O no hydrogen 2.799 N/A ASN 146.A N GLY 377.A O no hydrogen 2.849 N/A LEU 153.A N LEU 150.A O no hydrogen 3.364 N/A THR 155.A N GLY 152.A O no hydrogen 2.847 N/A PHE 156.A N LEU 153.A O no hydrogen 2.814 N/A GLU 157.A N ALA 356.A O no hydrogen 3.052 N/A GLU 159.A N ASP 370.A O no hydrogen 2.993 N/A ILE 161.A N LEU 372.A O no hydrogen 2.946 N/A THR 163.A N PHE 374.A O no hydrogen 3.072 N/A THR 163.A OG1 PHE 374.A O no hydrogen 3.427 N/A ALA 164.A N HIS 162.A ND1 no hydrogen 3.025 N/A ALA 165.A N HIS 162.A O no hydrogen 2.894 N/A TRP 166.A N THR 163.A O no hydrogen 3.330 N/A TRP 166.A NE1 LYS 170.A O no hydrogen 2.949 N/A LYS 170.A N PRO 167.A O no hydrogen 3.306 N/A LYS 170.A NZ GLU 159.A OE1 no hydrogen 3.304 N/A LYS 170.A NZ GLU 159.A OE2 no hydrogen 2.986 N/A SER 171.A OG GLU 196.A OE2 no hydrogen 3.466 N/A ALA 173.A N SER 171.A OG no hydrogen 3.428 N/A GLY 174.A N GLU 196.A O no hydrogen 3.083 N/A ARG 175.A N LEU 172.A O no hydrogen 3.121 N/A ARG 175.A NH1 GLU 159.A OE1 no hydrogen 2.737 N/A ARG 175.A NH2 GLU 159.A OE1 no hydrogen 2.985 N/A ARG 176.A N ASP 370.A OD2 no hydrogen 3.074 N/A VAL 177.A N HIS 199.A O no hydrogen 2.916 N/A GLY 178.A N VAL 371.A O no hydrogen 2.952 N/A VAL 179.A N THR 201.A O no hydrogen 2.777 N/A ILE 180.A N VAL 373.A O no hydrogen 2.744 N/A GLY 181.A N PHE 203.A O no hydrogen 3.510 N/A GLN 187.A N GLY 183.A O no hydrogen 3.176 N/A GLN 187.A NE2 SER 210.A OG no hydrogen 2.847 N/A GLN 188.A N SER 184.A O no hydrogen 3.502 N/A VAL 189.A N THR 185.A O no hydrogen 2.976 N/A ILE 190.A N GLY 186.A O no hydrogen 2.854 N/A THR 191.A N GLN 187.A O no hydrogen 3.068 N/A THR 191.A OG1 GLN 187.A O no hydrogen 2.734 N/A SER 192.A N GLN 188.A O no hydrogen 3.094 N/A LEU 193.A N VAL 189.A O no hydrogen 2.837 N/A ALA 194.A N ILE 190.A O no hydrogen 3.092 N/A GLU 196.A N LEU 193.A O no hydrogen 2.967 N/A GLU 198.A N ARG 175.A O no hydrogen 2.825 N/A HIS 199.A NE2 GLU 342.A OE2 no hydrogen 3.038 N/A LEU 200.A N ASN 340.A O no hydrogen 2.981 N/A THR 201.A N VAL 177.A O no hydrogen 2.828 N/A VAL 202.A N GLU 342.A O no hydrogen 2.783 N/A PHE 203.A N VAL 179.A O no hydrogen 2.792 N/A VAL 204.A N VAL 344.A O no hydrogen 2.924 N/A TYR 209.A OH GLY 320.A O no hydrogen 2.584 N/A SER 210.A OG ASP 329.A OD2 no hydrogen 2.692 N/A VAL 211.A N LEU 327.A O no hydrogen 3.199 N/A VAL 213.A N ASP 329.A O no hydrogen 2.887 N/A ARG 216.A N THR 78.A OG1 no hydrogen 2.792 N/A VAL 218.A N LYS 76.A O no hydrogen 2.936 N/A ASN 219.A N GLN 222.A OE1 no hydrogen 2.675 N/A ILE 223.A N ASN 219.A O no hydrogen 3.204 N/A ALA 224.A N PRO 220.A O no hydrogen 3.170 N/A GLU 225.A N GLU 221.A O no hydrogen 3.053 N/A ILE 226.A N GLN 222.A O no hydrogen 3.285 N/A LYS 227.A N ILE 223.A O no hydrogen 2.911 N/A LYS 227.A NZ GLN 71.A O no hydrogen 2.797 N/A LYS 227.A NZ SER 73.A O no hydrogen 2.687 N/A ALA 228.A N ALA 224.A O no hydrogen 2.886 N/A ASP 229.A N GLU 225.A O no hydrogen 3.315 N/A ASP 229.A N ILE 226.A O no hydrogen 3.226 N/A TYR 230.A N LYS 227.A O no hydrogen 3.195 N/A TYR 230.A OH HIS 59.A O no hydrogen 2.722 N/A ILE 233.A N ASP 229.A O no hydrogen 3.124 N/A TRP 234.A N TYR 230.A O no hydrogen 3.036 N/A GLU 235.A N ASP 231.A O no hydrogen 3.250 N/A ARG 236.A N ARG 232.A O no hydrogen 2.971 N/A ARG 236.A NH2 ASP 229.A OD1 no hydrogen 2.970 N/A ALA 237.A N ILE 233.A O no hydrogen 3.037 N/A LYS 238.A N TRP 234.A O no hydrogen 2.779 N/A LYS 238.A NZ SER 64.A OG no hydrogen 3.112 N/A ASN 239.A N GLU 235.A O no hydrogen 2.917 N/A ASN 239.A N ARG 236.A O no hydrogen 3.135 N/A ASN 239.A ND2 GLU 235.A O no hydrogen 3.233 N/A SER 240.A N ALA 237.A O no hydrogen 3.058 N/A SER 240.A OG ALA 237.A O no hydrogen 2.798 N/A SER 240.A OG GLU 248.A OE2 no hydrogen 3.464 N/A ALA 241.A N GLU 248.A OE1 no hydrogen 2.875 N/A VAL 242.A N GLU 248.A OE2 no hydrogen 3.217 N/A ALA 243.A N SER 240.A OG no hydrogen 2.866 N/A SER 249.A N PHE 279.A O no hydrogen 2.912 N/A SER 249.A OG THR 281.A O no hydrogen 3.481 N/A LEU 251.A N SER 249.A OG no hydrogen 3.179 N/A ALA 253.A N ASP 284.A OD1 no hydrogen 3.032 N/A SER 257.A OG GLU 259.A OE1 no hydrogen 3.224 N/A ARG 261.A N SER 257.A O no hydrogen 3.036 N/A ARG 261.A NE ALA 253.A O no hydrogen 2.888 N/A ARG 261.A NH2 ALA 253.A O no hydrogen 2.981 N/A ASN 262.A N GLU 258.A O no hydrogen 3.397 N/A ARG 263.A N GLU 259.A O no hydrogen 2.849 N/A ILE 264.A N GLU 260.A O no hydrogen 2.525 N/A PHE 265.A N ARG 261.A O no hydrogen 3.018 N/A GLN 266.A N ASN 262.A O no hydrogen 2.844 N/A GLN 266.A NE2 ASP 270.A OD2 no hydrogen 2.826 N/A GLU 267.A N ARG 263.A O no hydrogen 2.840 N/A ALA 268.A N ILE 264.A O no hydrogen 2.843 N/A TRP 269.A N PHE 265.A O no hydrogen 2.670 N/A ASP 270.A N GLN 266.A O no hydrogen 2.873 N/A HIS 271.A N GLU 267.A O no hydrogen 3.024 N/A GLY 272.A N ALA 268.A O no hydrogen 2.873 N/A GLY 273.A N PRO 212.A O no hydrogen 2.846 N/A ARG 276.A NH1 GLY 272.A O no hydrogen 3.325 N/A PHE 277.A N GLY 273.A O no hydrogen 3.207 N/A MET 278.A N GLY 274.A O no hydrogen 3.407 N/A PHE 279.A N PHE 275.A O no hydrogen 2.843 N/A GLY 280.A N ARG 276.A O no hydrogen 2.643 N/A GLY 283.A N LEU 251.A O no hydrogen 3.033 N/A THR 287.A N ASP 284.A O no hydrogen 3.126 N/A THR 287.A OG1 ALA 479.A O no hydrogen 2.681 N/A ASP 288.A N ASP 284.A O no hydrogen 2.711 N/A ALA 291.A N ASP 288.A OD2 no hydrogen 2.880 N/A ASN 292.A N ASP 288.A O no hydrogen 2.759 N/A ASN 292.A ND2 ILE 285.A O no hydrogen 2.748 N/A ASN 292.A ND2 PHE 322.A O no hydrogen 2.931 N/A GLU 293.A N GLU 289.A O no hydrogen 2.946 N/A ALA 294.A N ALA 290.A O no hydrogen 2.920 N/A ALA 295.A N ALA 291.A O no hydrogen 3.205 N/A ALA 296.A N ASN 292.A O no hydrogen 2.767 N/A SER 297.A N GLU 293.A O no hydrogen 2.671 N/A PHE 298.A N ALA 294.A O no hydrogen 2.998 N/A ILE 299.A N ALA 295.A O no hydrogen 3.234 N/A ARG 300.A N ALA 296.A O no hydrogen 3.005 N/A ARG 300.A NH2 GLU 293.A OE2 no hydrogen 2.234 N/A ALA 301.A N SER 297.A O no hydrogen 3.255 N/A LYS 302.A NZ GLN 266.A OE1 no hydrogen 2.714 N/A VAL 303.A N ILE 299.A O no hydrogen 3.039 N/A ALA 304.A N ARG 300.A O no hydrogen 3.053 N/A GLU 305.A N ALA 301.A O no hydrogen 2.943 N/A ILE 306.A N LYS 302.A O no hydrogen 2.828 N/A ILE 307.A N VAL 303.A O no hydrogen 3.009 N/A GLU 308.A N ASN 337.A OD1 no hydrogen 2.918 N/A THR 312.A N ASP 309.A OD1 no hydrogen 3.384 N/A THR 312.A OG1 ASP 309.A OD1 no hydrogen 3.103 N/A ALA 313.A N ASP 309.A O no hydrogen 2.862 N/A ARG 314.A N PRO 310.A O no hydrogen 3.012 N/A ARG 314.A NE GLU 311.A OE1 no hydrogen 3.132 N/A ARG 314.A NH1 GLU 348.A OE1 no hydrogen 2.522 N/A ARG 314.A NH2 GLU 311.A OE2 no hydrogen 2.587 N/A ARG 314.A NH2 GLU 348.A OE1 no hydrogen 2.774 N/A ARG 314.A NH2 GLU 348.A OE2 no hydrogen 3.365 N/A LYS 315.A N GLU 311.A O no hydrogen 3.022 N/A LYS 315.A NZ ALA 343.A O no hydrogen 3.271 N/A LEU 316.A N THR 312.A O no hydrogen 3.124 N/A LEU 316.A N ALA 313.A O no hydrogen 3.224 N/A PHE 322.A N ASN 292.A OD1 no hydrogen 2.779 N/A LYS 324.A NZ GLY 485.A O no hydrogen 3.027 N/A ARG 325.A NH1 ASP 55.A OD2 no hydrogen 2.978 N/A ARG 325.A NH1 PRO 326.A O no hydrogen 3.285 N/A ARG 325.A NH2 ASP 55.A OD1 no hydrogen 2.900 N/A CYS 328.A SG ASP 55.A OD2 no hydrogen 3.566 N/A ASP 329.A N VAL 211.A O no hydrogen 2.771 N/A GLY 331.A N ASP 329.A OD1 no hydrogen 2.802 N/A TYR 332.A N ASP 329.A OD1 no hydrogen 2.732 N/A TYR 332.A OH TYR 336.A OH no hydrogen 2.813 N/A TYR 333.A OH GLN 208.A O no hydrogen 2.802 N/A GLU 334.A N GLU 334.A OE1 no hydrogen 2.831 N/A VAL 335.A N TYR 332.A O no hydrogen 3.271 N/A TYR 336.A N TYR 333.A O no hydrogen 3.261 N/A TYR 336.A OH TYR 332.A OH no hydrogen 2.813 N/A ASN 337.A N GLU 334.A O no hydrogen 3.102 N/A ASN 337.A ND2 ILE 306.A O no hydrogen 3.069 N/A ARG 338.A N VAL 335.A O no hydrogen 3.099 N/A ARG 338.A NE ASN 340.A OD1 no hydrogen 3.175 N/A ARG 338.A NH2 ASN 340.A OD1 no hydrogen 2.710 N/A ASN 340.A ND2 ALA 194.A O no hydrogen 3.598 N/A VAL 341.A N ARG 338.A O no hydrogen 3.139 N/A GLU 342.A N LEU 200.A O no hydrogen 2.816 N/A VAL 344.A N VAL 202.A O no hydrogen 2.808 N/A ILE 346.A N VAL 204.A O no hydrogen 2.845 N/A LYS 347.A NZ ARG 205.A O no hydrogen 3.525 N/A LYS 347.A NZ THR 206.A OG1 no hydrogen 3.384 N/A ASN 349.A N ALA 345.A O no hydrogen 2.929 N/A ARG 352.A N VAL 360.A O no hydrogen 2.730 N/A ARG 352.A NE GLU 362.A OE1 no hydrogen 2.904 N/A GLU 353.A N VAL 360.A O no hydrogen 3.266 N/A VAL 354.A N PRO 151.A O no hydrogen 2.808 N/A THR 355.A N GLY 358.A O no hydrogen 2.764 N/A THR 355.A OG1 GLY 358.A O no hydrogen 3.567 N/A LYS 357.A N THR 355.A OG1 no hydrogen 3.205 N/A LYS 357.A NZ GLU 157.A OE2 no hydrogen 3.271 N/A VAL 359.A N HIS 367.A O no hydrogen 2.895 N/A VAL 360.A N GLU 353.A O no hydrogen 2.803 N/A THR 361.A N VAL 365.A O no hydrogen 3.111 N/A THR 361.A OG1 ASN 349.A OD1 no hydrogen 3.390 N/A THR 361.A OG1 ASP 363.A OD1 no hydrogen 2.523 N/A THR 361.A OG1 HIS 367.A NE2 no hydrogen 3.126 N/A GLU 362.A N PRO 350.A O no hydrogen 2.790 N/A GLY 364.A N THR 361.A O no hydrogen 2.766 N/A VAL 365.A N ASP 363.A OD1 no hydrogen 3.050 N/A HIS 367.A N VAL 359.A O no hydrogen 2.741 N/A HIS 367.A NE2 THR 361.A OG1 no hydrogen 3.126 N/A LEU 369.A N LYS 357.A O no hydrogen 3.073 N/A ASP 370.A N ARG 176.A O no hydrogen 2.844 N/A VAL 371.A N ARG 176.A O no hydrogen 3.280 N/A LEU 372.A N GLU 159.A O no hydrogen 2.919 N/A VAL 373.A N GLY 178.A O no hydrogen 2.760 N/A PHE 374.A N ILE 161.A O no hydrogen 2.661 N/A ALA 375.A N ILE 180.A O no hydrogen 2.781 N/A THR 376.A OG1 ASN 146.A O no hydrogen 2.728 N/A ASP 379.A N ALA 144.A O no hydrogen 2.781 N/A VAL 381.A N LEU 141.A O no hydrogen 2.652 N/A ASP 382.A N ALA 380.A O no hydrogen 2.832 N/A ASN 384.A ND2 VAL 139.A O no hydrogen 3.283 N/A TYR 385.A N ASP 382.A O no hydrogen 2.985 N/A TYR 385.A OH ASN 137.A O no hydrogen 3.357 N/A ARG 386.A N ASP 382.A O no hydrogen 3.244 N/A ARG 386.A N GLY 383.A O no hydrogen 3.281 N/A ARG 386.A NE ASP 382.A OD2 no hydrogen 2.781 N/A ARG 386.A NH1 TRP 402.A O no hydrogen 2.936 N/A ARG 386.A NH2 TRP 402.A O no hydrogen 2.933 N/A ARG 386.A NH2 GLY 404.A O no hydrogen 3.329 N/A ARG 387.A NH1 ILE 145.A O no hydrogen 3.259 N/A ARG 387.A NH2 ILE 145.A O no hydrogen 2.968 N/A GLU 389.A N THR 109.A O no hydrogen 3.359 N/A ARG 391.A N ALA 111.A O no hydrogen 2.972 N/A ARG 391.A NE GLU 389.A OE2 no hydrogen 2.692 N/A ARG 391.A NH1 GLY 395.A O no hydrogen 2.686 N/A ARG 391.A NH2 GLU 389.A OE2 no hydrogen 3.437 N/A GLY 392.A N LEU 396.A O no hydrogen 2.918 N/A ARG 393.A N ASN 416.A O no hydrogen 2.758 N/A ARG 393.A NE GLU 460.A OE1 no hydrogen 2.544 N/A ARG 393.A NE GLU 460.A OE2 no hydrogen 3.312 N/A ARG 393.A NH2 GLU 460.A OE2 no hydrogen 2.808 N/A ASP 394.A N ASP 115.A OD2 no hydrogen 2.985 N/A GLY 395.A N GLY 392.A O no hydrogen 3.177 N/A LEU 396.A N ARG 393.A O no hydrogen 3.237 N/A ILE 398.A N ILE 390.A O no hydrogen 2.841 N/A ASN 399.A N HIS 397.A ND1 no hydrogen 3.061 N/A ASP 400.A N HIS 397.A O no hydrogen 2.985 N/A HIS 401.A N HIS 397.A O no hydrogen 2.979 N/A HIS 401.A NE2 THR 414.A OG1 no hydrogen 2.501 N/A TRP 402.A N ILE 398.A O no hydrogen 2.812 N/A THR 407.A OG1 GLU 466.A OE2 no hydrogen 2.521 N/A SER 408.A OG PRO 426.A O no hydrogen 2.619 N/A TYR 409.A N SER 413.A O no hydrogen 2.779 N/A TYR 409.A OH ARG 524.A O no hydrogen 2.823 N/A GLY 411.A N SER 408.A OG no hydrogen 2.850 N/A VAL 412.A N TYR 409.A O no hydrogen 3.349 N/A SER 413.A OG TYR 409.A O no hydrogen 2.904 N/A THR 414.A OG1 HIS 401.A NE2 no hydrogen 2.501 N/A THR 414.A OG1 GLU 466.A OE1 no hydrogen 3.389 N/A THR 414.A OG1 GLU 466.A OE2 no hydrogen 2.636 N/A ALA 415.A N GLU 466.A OE1 no hydrogen 2.809 N/A ASN 416.A N GLU 460.A OE2 no hydrogen 2.713 N/A ASN 419.A N ILE 459.A O no hydrogen 2.898 N/A ASN 419.A ND2 LYS 133.A O no hydrogen 3.286 N/A PHE 421.A N VAL 135.A O no hydrogen 2.749 N/A MET 422.A N VAL 412.A O no hydrogen 2.886 N/A VAL 423.A N ASN 137.A O no hydrogen 2.881 N/A LEU 424.A N GLN 440.A OE1 no hydrogen 2.732 N/A ASN 427.A N LEU 502.A O no hydrogen 2.857 N/A THR 431.A OG1 ASN 432.A O no hydrogen 2.703 N/A THR 431.A OG1 SER 436.A OG no hydrogen 2.654 N/A ASN 432.A N VAL 242.A O no hydrogen 2.885 N/A ASN 432.A ND2 LEU 60.A O no hydrogen 3.255 N/A ASN 432.A ND2 ALA 243.A O no hydrogen 2.995 N/A SER 436.A OG THR 431.A OG1 no hydrogen 2.654 N/A ILE 437.A N LEU 433.A O no hydrogen 2.758 N/A GLU 438.A N PRO 434.A O no hydrogen 2.892 N/A THR 439.A N PRO 435.A O no hydrogen 3.131 N/A THR 439.A OG1 PRO 435.A O no hydrogen 2.741 N/A GLN 440.A N SER 436.A O no hydrogen 3.004 N/A GLN 440.A NE2 TYR 511.A OH no hydrogen 3.120 N/A VAL 441.A N ILE 437.A O no hydrogen 2.762 N/A GLU 442.A N GLU 438.A O no hydrogen 2.934 N/A TRP 443.A N THR 439.A O no hydrogen 3.022 N/A ILE 444.A N GLN 440.A O no hydrogen 2.820 N/A SER 445.A N VAL 441.A O no hydrogen 2.881 N/A ASP 446.A N GLU 442.A O no hydrogen 3.015 N/A THR 447.A N TRP 443.A O no hydrogen 3.031 N/A ILE 448.A N ILE 444.A O no hydrogen 2.940 N/A GLY 449.A N SER 445.A O no hydrogen 2.945 N/A TYR 450.A N ASP 446.A O no hydrogen 3.010 N/A ALA 451.A N THR 447.A O no hydrogen 2.966 N/A GLU 452.A N ILE 448.A O no hydrogen 2.942 N/A ARG 453.A N GLY 449.A O no hydrogen 2.856 N/A ASN 454.A N TYR 450.A O no hydrogen 2.816 N/A VAL 456.A N ALA 451.A O no hydrogen 3.126 N/A ARG 457.A N LYS 529.A O no hydrogen 2.745 N/A ARG 457.A NE ASN 118.A OD1 no hydrogen 3.382 N/A ALA 458.A N LYS 529.A O no hydrogen 3.341 N/A ILE 459.A N ASN 419.A OD1 no hydrogen 2.926 N/A GLU 460.A N GLU 527.A O no hydrogen 3.304 N/A THR 462.A N GLY 525.A O no hydrogen 2.901 N/A THR 462.A OG1 GLY 525.A O no hydrogen 3.418 N/A GLU 464.A N GLU 464.A OE1 no hydrogen 3.075 N/A ALA 465.A N THR 462.A OG1 no hydrogen 3.089 N/A GLU 466.A N THR 462.A O no hydrogen 3.205 N/A ALA 467.A N PRO 463.A O no hydrogen 3.018 N/A GLU 468.A N GLU 464.A O no hydrogen 2.984 N/A TRP 469.A N ALA 465.A O no hydrogen 3.015 N/A TRP 469.A NE1 ASN 427.A O no hydrogen 2.950 N/A THR 470.A N GLU 466.A O no hydrogen 2.830 N/A THR 470.A OG1 GLU 466.A O no hydrogen 3.246 N/A GLU 471.A N ALA 467.A O no hydrogen 2.970 N/A THR 472.A N GLU 468.A O no hydrogen 2.971 N/A THR 472.A OG1 GLU 468.A O no hydrogen 2.912 N/A CYS 473.A N TRP 469.A O no hydrogen 3.036 N/A CYS 473.A SG TRP 469.A O no hydrogen 3.466 N/A THR 474.A N THR 470.A O no hydrogen 2.963 N/A THR 474.A OG1 THR 470.A O no hydrogen 2.584 N/A GLU 475.A N GLU 471.A O no hydrogen 2.924 N/A ILE 476.A N THR 472.A O no hydrogen 3.193 N/A ALA 477.A N CYS 473.A O no hydrogen 2.929 N/A ASN 478.A N THR 474.A O no hydrogen 3.051 N/A ALA 479.A N ILE 476.A O no hydrogen 3.115 N/A THR 480.A N ALA 477.A O no hydrogen 3.249 N/A THR 480.A OG1 ALA 477.A O no hydrogen 3.336 N/A LEU 481.A N ALA 286.A O no hydrogen 2.708 N/A LYS 484.A N LEU 481.A O no hydrogen 2.908 N/A GLY 485.A N PHE 482.A O no hydrogen 2.945 N/A ILE 489.A N SER 487.A OG no hydrogen 3.341 N/A PHE 490.A N SER 487.A O no hydrogen 3.289 N/A GLY 491.A N TRP 488.A O no hydrogen 2.820 N/A ALA 492.A N SER 487.A O no hydrogen 3.221 N/A ASN 493.A N ASN 493.A OD1 no hydrogen 2.652 N/A ASN 493.A ND2 PHE 378.A O no hydrogen 2.758 N/A LYS 497.A N ILE 494.A O no hydrogen 2.917 N/A LYS 497.A NZ ASP 379.A OD2 no hydrogen 2.875 N/A LYS 497.A NZ ALA 380.A O no hydrogen 2.831 N/A LYS 497.A NZ ASP 382.A OD1 no hydrogen 2.831 N/A SER 500.A N PHE 490.A O no hydrogen 2.938 N/A SER 500.A OG VAL 501.A O no hydrogen 2.834 N/A TYR 504.A N GLY 428.A O no hydrogen 2.684 N/A LEU 508.A N ALA 241.A O no hydrogen 2.749 N/A ARG 509.A N SER 240.A O no hydrogen 2.932 N/A ARG 509.A NE ASN 239.A OD1 no hydrogen 3.253 N/A ASN 510.A ND2 GLY 506.A O no hydrogen 3.117 N/A TYR 511.A N GLY 507.A O no hydrogen 3.001 N/A TYR 511.A OH LEU 410.A O no hydrogen 2.524 N/A ARG 512.A N LEU 508.A O no hydrogen 2.744 N/A ARG 512.A NH1 THR 439.A OG1 no hydrogen 2.996 N/A ALA 513.A N ARG 509.A O no hydrogen 3.118 N/A VAL 514.A N ASN 510.A O no hydrogen 3.035 N/A MET 515.A N TYR 511.A O no hydrogen 2.896 N/A ALA 516.A N ARG 512.A O no hydrogen 2.864 N/A GLU 517.A N ALA 513.A O no hydrogen 3.033 N/A VAL 518.A N VAL 514.A O no hydrogen 2.955 N/A ALA 519.A N MET 515.A O no hydrogen 3.342 N/A ALA 520.A N ALA 516.A O no hydrogen 2.909 N/A ASP 521.A N GLU 517.A O no hydrogen 2.969 N/A GLY 522.A N ALA 519.A O no hydrogen 3.173 N/A ARG 524.A NH1 GLU 517.A OE2 no hydrogen 2.408 N/A ARG 524.A NH1 ASP 521.A OD2 no hydrogen 3.042 N/A ARG 524.A NH2 GLU 517.A OE2 no hydrogen 2.693 N/A PHE 526.A N TYR 523.A O no hydrogen 2.977 N/A GLU 527.A N GLU 460.A O no hydrogen 2.928 N/A LYS 529.A N ALA 458.A O no hydrogen 2.847 N/A