Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wdt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N HIS 69.A ND1 no hydrogen 2.806 N/A ARG 5.A N ARG 70.A O no hydrogen 2.921 N/A ARG 5.A NE LEU 264.A O no hydrogen 3.203 N/A ARG 5.A NH1 ILE 4.A O no hydrogen 2.787 N/A ARG 5.A NH2 LEU 264.A O no hydrogen 2.748 N/A THR 6.A OG1 GLY 340.A O no hydrogen 2.694 N/A VAL 7.A N PHE 72.A O no hydrogen 3.040 N/A ALA 8.A N ALA 95.A O no hydrogen 3.053 N/A LEU 9.A N LEU 74.A O no hydrogen 2.786 N/A VAL 10.A N LEU 97.A O no hydrogen 2.887 N/A SER 15.A N HIS 12.A O no hydrogen 3.269 N/A SER 15.A OG HIS 12.A O no hydrogen 2.834 N/A LYS 17.A NZ GLY 11.A O no hydrogen 2.975 N/A LYS 17.A NZ HIS 12.A O no hydrogen 3.368 N/A THR 18.A OG1 THR 56.A OG1 no hydrogen 2.842 N/A THR 18.A OG1 ASP 75.A OD2 no hydrogen 2.699 N/A LEU 20.A N GLY 16.A O no hydrogen 3.006 N/A THR 21.A N LYS 17.A O no hydrogen 2.914 N/A THR 21.A OG1 LYS 17.A O no hydrogen 2.840 N/A GLU 22.A N THR 18.A O no hydrogen 2.877 N/A ALA 23.A N THR 19.A O no hydrogen 3.152 N/A LEU 24.A N LEU 20.A O no hydrogen 2.982 N/A LEU 25.A N THR 21.A O no hydrogen 3.023 N/A TYR 26.A N GLU 22.A O no hydrogen 2.863 N/A LYS 27.A N ALA 23.A O no hydrogen 2.810 N/A LYS 27.A NZ GLY 181.A O no hydrogen 3.160 N/A THR 28.A N LEU 24.A O no hydrogen 3.075 N/A THR 28.A OG1 LEU 24.A O no hydrogen 2.846 N/A THR 28.A OG1 LEU 25.A O no hydrogen 3.142 N/A GLY 29.A N TYR 26.A O no hydrogen 3.154 N/A LYS 31.A N LEU 25.A O no hydrogen 3.315 N/A LYS 31.A NZ GLU 22.A OE1 no hydrogen 2.812 N/A LYS 31.A NZ GLU 22.A OE2 no hydrogen 2.490 N/A LYS 31.A NZ THR 41.A O no hydrogen 3.139 N/A LYS 31.A NZ THR 43.A OG1 no hydrogen 3.144 N/A GLY 35.A N GLU 22.A OE2 no hydrogen 2.902 N/A ARG 36.A N THR 41.A OG1 no hydrogen 2.953 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.673 N/A GLU 39.A N ARG 36.A O no hydrogen 3.188 N/A GLY 40.A N VAL 37.A O no hydrogen 2.961 N/A THR 41.A N ARG 36.A O no hydrogen 3.097 N/A THR 43.A N GLU 22.A OE1 no hydrogen 2.729 N/A THR 43.A OG1 GLU 22.A OE1 no hydrogen 3.534 N/A THR 44.A OG1 ASP 75.A OD2 no hydrogen 2.765 N/A ASP 45.A N THR 42.A OG1 no hydrogen 3.424 N/A ALA 50.A N THR 47.A OG1 no hydrogen 3.424 N/A LYS 51.A N THR 47.A O no hydrogen 3.216 N/A LEU 52.A N PRO 48.A O no hydrogen 2.889 N/A HIS 53.A N GLU 49.A O no hydrogen 3.027 N/A HIS 53.A NE2 GLU 433.A OE2 no hydrogen 2.608 N/A ARG 54.A N LYS 51.A O no hydrogen 3.304 N/A ARG 54.A NH1 LYS 51.A O no hydrogen 2.593 N/A ARG 54.A NH2 GLU 38.A O no hydrogen 2.591 N/A THR 55.A N ALA 50.A O no hydrogen 3.126 N/A THR 56.A OG1 ASP 45.A OD1 no hydrogen 2.852 N/A THR 56.A OG1 ASP 45.A OD2 no hydrogen 3.405 N/A ARG 58.A NH1 GLU 403.A O no hydrogen 3.128 N/A ARG 58.A NH2 GLU 403.A O no hydrogen 3.267 N/A THR 59.A N GLU 85.A OE2 no hydrogen 2.855 N/A THR 59.A OG1 GLU 85.A O no hydrogen 3.270 N/A GLY 60.A N ASP 75.A O no hydrogen 3.072 N/A ALA 62.A N LEU 73.A O no hydrogen 2.827 N/A LEU 64.A N VAL 71.A O no hydrogen 2.811 N/A PHE 66.A N HIS 69.A O no hydrogen 2.816 N/A HIS 69.A N PHE 66.A O no hydrogen 2.855 N/A ARG 70.A N MET 3.A O no hydrogen 2.835 N/A VAL 71.A N LEU 64.A O no hydrogen 2.847 N/A PHE 72.A N ARG 5.A O no hydrogen 2.789 N/A LEU 73.A N ALA 62.A O no hydrogen 3.136 N/A LEU 74.A N VAL 7.A O no hydrogen 2.859 N/A ASP 75.A N GLY 60.A O no hydrogen 2.783 N/A ALA 76.A N LEU 9.A O no hydrogen 3.063 N/A PHE 82.A N TYR 79.A O no hydrogen 2.983 N/A VAL 83.A N GLY 80.A O no hydrogen 3.151 N/A ILE 86.A N PHE 82.A O no hydrogen 3.085 N/A ARG 87.A N VAL 83.A O no hydrogen 2.885 N/A ARG 87.A NH1 ARG 372.A O no hydrogen 2.692 N/A GLY 88.A N GLY 84.A O no hydrogen 3.163 N/A ALA 89.A N GLU 85.A O no hydrogen 2.910 N/A LEU 90.A N ILE 86.A O no hydrogen 3.137 N/A GLU 91.A N ARG 87.A O no hydrogen 2.996 N/A ALA 92.A N GLY 88.A O no hydrogen 3.042 N/A ALA 92.A N ALA 89.A O no hydrogen 3.211 N/A ALA 93.A N LEU 90.A O no hydrogen 3.336 N/A ASP 94.A N THR 6.A O no hydrogen 2.945 N/A ALA 96.A N PRO 123.A O no hydrogen 2.954 N/A LEU 97.A N ALA 8.A O no hydrogen 2.792 N/A VAL 98.A N MET 125.A O no hydrogen 2.753 N/A ALA 99.A N VAL 10.A O no hydrogen 2.940 N/A VAL 100.A N VAL 127.A O no hydrogen 2.898 N/A ALA 102.A N THR 129.A O no hydrogen 2.906 N/A ALA 104.A N SER 101.A O no hydrogen 3.318 N/A GLY 105.A N SER 101.A O no hydrogen 2.870 N/A GLN 107.A N THR 110.A OG1 no hydrogen 2.980 N/A GLY 109.A N HIS 12.A ND1 no hydrogen 2.857 N/A THR 110.A N GLN 107.A O no hydrogen 2.921 N/A GLU 111.A N GLN 107.A O no hydrogen 3.155 N/A ARG 112.A N VAL 108.A O no hydrogen 3.111 N/A ALA 113.A N GLY 109.A O no hydrogen 3.314 N/A TRP 114.A N THR 110.A O no hydrogen 2.892 N/A THR 115.A N GLU 111.A O no hydrogen 2.941 N/A THR 115.A OG1 GLU 111.A O no hydrogen 2.962 N/A VAL 116.A N ARG 112.A O no hydrogen 3.137 N/A ALA 117.A N ALA 113.A O no hydrogen 2.935 N/A GLU 118.A N TRP 114.A O no hydrogen 2.922 N/A ARG 119.A N THR 115.A O no hydrogen 2.953 N/A LEU 120.A N VAL 116.A O no hydrogen 3.043 N/A GLY 121.A N GLU 118.A O no hydrogen 2.941 N/A LEU 122.A N ALA 117.A O no hydrogen 2.928 N/A ARG 124.A NE LEU 122.A O no hydrogen 2.880 N/A ARG 124.A NH1 GLU 118.A OE2 no hydrogen 3.410 N/A ARG 124.A NH2 LEU 122.A O no hydrogen 3.209 N/A MET 125.A N ALA 96.A O no hydrogen 3.000 N/A VAL 126.A N PRO 244.A O no hydrogen 2.802 N/A VAL 127.A N VAL 98.A O no hydrogen 3.022 N/A VAL 128.A N ALA 246.A O no hydrogen 2.715 N/A THR 129.A N VAL 100.A O no hydrogen 3.091 N/A THR 129.A OG1 SER 15.A O no hydrogen 2.566 N/A LYS 130.A NZ GLY 14.A O no hydrogen 2.706 N/A LYS 133.A N LYS 130.A O no hydrogen 3.023 N/A GLY 134.A N LEU 131.A O no hydrogen 3.214 N/A TYR 137.A OH ASP 155.A O no hydrogen 3.060 N/A LEU 140.A N ASP 136.A O no hydrogen 2.879 N/A LEU 141.A N TYR 137.A O no hydrogen 2.848 N/A GLU 142.A N TYR 138.A O no hydrogen 3.282 N/A ASP 143.A N ALA 139.A O no hydrogen 3.026 N/A LEU 144.A N LEU 140.A O no hydrogen 2.891 N/A ARG 145.A N LEU 141.A O no hydrogen 2.867 N/A SER 146.A N GLU 142.A O no hydrogen 2.993 N/A SER 146.A OG GLU 142.A O no hydrogen 3.324 N/A SER 146.A OG ASP 143.A O no hydrogen 3.017 N/A THR 147.A N ASP 143.A O no hydrogen 2.884 N/A THR 147.A OG1 ASP 143.A O no hydrogen 2.987 N/A LEU 148.A N LEU 144.A O no hydrogen 2.601 N/A GLY 149.A N LEU 144.A O no hydrogen 3.338 N/A GLY 149.A N ARG 145.A O no hydrogen 2.887 N/A ILE 151.A N GLY 149.A O no hydrogen 2.739 N/A LEU 152.A N TYR 243.A O no hydrogen 2.829 N/A ILE 154.A N VAL 245.A O no hydrogen 3.154 N/A LEU 156.A N ILE 168.A O no hydrogen 3.209 N/A LEU 158.A N GLY 166.A O no hydrogen 3.030 N/A GLU 160.A N LYS 163.A O no hydrogen 2.813 N/A LYS 163.A N GLU 160.A O no hydrogen 2.941 N/A TRP 164.A NE1 GLY 166.A O no hydrogen 2.692 N/A VAL 165.A N LEU 158.A O no hydrogen 2.889 N/A GLY 166.A N LEU 158.A O no hydrogen 3.265 N/A LEU 167.A N TYR 176.A O no hydrogen 3.024 N/A ILE 168.A N LEU 156.A O no hydrogen 2.746 N/A ASP 169.A N LYS 174.A O no hydrogen 2.503 N/A VAL 170.A N ILE 154.A O no hydrogen 3.186 N/A HIS 172.A N ASP 169.A OD1 no hydrogen 2.905 N/A GLY 173.A N ASP 169.A O no hydrogen 2.925 N/A GLY 173.A N VAL 170.A O no hydrogen 3.301 N/A LYS 174.A N ASP 169.A O no hydrogen 3.403 N/A TYR 176.A N LEU 167.A O no hydrogen 2.861 N/A ARG 177.A N ARG 184.A O no hydrogen 2.765 N/A ARG 177.A NE GLU 160.A OE2 no hydrogen 2.824 N/A ARG 177.A NH1 GLU 179.A OE1 no hydrogen 2.973 N/A ARG 177.A NH2 GLU 160.A OE1 no hydrogen 2.818 N/A ARG 177.A NH2 GLU 179.A OE1 no hydrogen 3.032 N/A TYR 178.A N VAL 165.A O no hydrogen 2.878 N/A TYR 178.A OH GLU 183.A OE2 no hydrogen 2.480 N/A GLU 179.A N GLU 182.A O no hydrogen 3.216 N/A GLU 182.A N GLU 179.A O no hydrogen 2.983 N/A ARG 184.A N ARG 177.A O no hydrogen 2.913 N/A ALA 186.A N ALA 175.A O no hydrogen 2.801 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.578 N/A GLU 192.A N PRO 189.A O no hydrogen 2.833 N/A ARG 193.A N PRO 190.A O no hydrogen 3.364 N/A ARG 193.A NE VAL 188.A O no hydrogen 2.806 N/A ARG 193.A NH2 VAL 188.A O no hydrogen 3.005 N/A ARG 195.A NH1 GLU 192.A OE2 no hydrogen 2.853 N/A VAL 196.A N GLU 192.A O no hydrogen 2.855 N/A GLN 197.A N ARG 193.A O no hydrogen 2.890 N/A ARG 198.A N GLU 194.A O no hydrogen 3.044 N/A PHE 199.A N ARG 195.A O no hydrogen 3.064 N/A ARG 200.A N VAL 196.A O no hydrogen 2.932 N/A GLN 201.A N GLN 197.A O no hydrogen 2.980 N/A GLU 202.A N ARG 198.A O no hydrogen 3.076 N/A VAL 203.A N PHE 199.A O no hydrogen 2.931 N/A LEU 204.A N ARG 200.A O no hydrogen 2.895 N/A GLU 205.A N GLN 201.A O no hydrogen 2.907 N/A ALA 206.A N GLU 202.A O no hydrogen 2.967 N/A ILE 207.A N VAL 203.A O no hydrogen 3.181 N/A VAL 208.A N LEU 204.A O no hydrogen 3.042 N/A GLU 209.A N GLU 205.A O no hydrogen 3.096 N/A THR 210.A N ILE 207.A O no hydrogen 3.176 N/A THR 210.A OG1 ILE 207.A O no hydrogen 2.999 N/A ASP 211.A N VAL 208.A O no hydrogen 3.118 N/A LEU 214.A N ASP 211.A OD1 no hydrogen 2.773 N/A LEU 215.A N ASP 211.A O no hydrogen 2.848 N/A GLU 216.A N GLU 212.A O no hydrogen 2.920 N/A GLU 216.A N GLY 213.A O no hydrogen 3.231 N/A LYS 217.A N GLY 213.A O no hydrogen 3.186 N/A LYS 217.A NZ GLU 222.A OE1 no hydrogen 3.457 N/A TYR 218.A N LEU 214.A O no hydrogen 2.773 N/A LEU 219.A N LEU 215.A O no hydrogen 3.156 N/A GLU 220.A N GLU 216.A O no hydrogen 2.526 N/A GLY 221.A N LYS 217.A O no hydrogen 2.786 N/A ALA 228.A N THR 225.A OG1 no hydrogen 3.097 N/A LEU 229.A N THR 225.A O no hydrogen 3.090 N/A GLU 230.A N GLY 226.A O no hydrogen 3.010 N/A LYS 231.A N GLU 227.A O no hydrogen 3.060 N/A ALA 232.A N ALA 228.A O no hydrogen 2.977 N/A PHE 233.A N LEU 229.A O no hydrogen 2.779 N/A HIS 234.A N GLU 230.A O no hydrogen 2.956 N/A HIS 234.A ND1 GLU 265.A O no hydrogen 2.871 N/A HIS 234.A NE2 GLU 272.A OE1 no hydrogen 2.928 N/A HIS 234.A NE2 GLU 272.A OE2 no hydrogen 2.733 N/A GLU 235.A N LYS 231.A O no hydrogen 2.996 N/A ALA 236.A N ALA 232.A O no hydrogen 2.818 N/A VAL 237.A N PHE 233.A O no hydrogen 2.936 N/A ARG 238.A N HIS 234.A O no hydrogen 2.897 N/A ARG 238.A NE GLU 235.A OE1 no hydrogen 2.906 N/A ARG 238.A NH2 GLU 235.A OE1 no hydrogen 2.919 N/A ARG 239.A N GLU 235.A O no hydrogen 3.061 N/A ARG 239.A NH2 THR 210.A O no hydrogen 2.922 N/A GLY 240.A N VAL 237.A O no hydrogen 2.955 N/A LEU 241.A N ALA 236.A O no hydrogen 2.911 N/A TYR 243.A N PRO 150.A O no hydrogen 3.092 N/A VAL 245.A N LEU 152.A O no hydrogen 2.869 N/A ALA 246.A N VAL 126.A O no hydrogen 2.727 N/A LEU 247.A N ASP 155.A OD2 no hydrogen 3.174 N/A ALA 248.A N VAL 128.A O no hydrogen 3.103 N/A SER 249.A N ILE 254.A O no hydrogen 2.990 N/A ARG 252.A N SER 249.A OG no hydrogen 2.810 N/A ILE 254.A N SER 249.A O no hydrogen 3.020 N/A LEU 259.A N GLY 255.A O no hydrogen 3.121 N/A LEU 259.A N VAL 256.A O no hydrogen 3.131 N/A LEU 260.A N VAL 256.A O no hydrogen 3.303 N/A GLU 261.A N LEU 257.A O no hydrogen 2.952 N/A LEU 262.A N PRO 258.A O no hydrogen 3.020 N/A ILE 263.A N LEU 259.A O no hydrogen 2.958 N/A LEU 264.A N LEU 260.A O no hydrogen 3.081 N/A GLU 265.A N GLU 261.A O no hydrogen 3.026 N/A ALA 266.A N LEU 262.A O no hydrogen 2.723 N/A LEU 267.A N ILE 263.A O no hydrogen 3.050 N/A SER 269.A N GLU 272.A OE2 no hydrogen 3.131 N/A GLU 272.A N SER 269.A OG no hydrogen 3.237 N/A ARG 273.A N PRO 270.A O no hydrogen 3.111 N/A ARG 273.A NH1 ASP 94.A OD1 no hydrogen 2.843 N/A PHE 274.A N PRO 270.A O no hydrogen 2.794 N/A GLY 275.A N THR 271.A O no hydrogen 2.673 N/A LEU 280.A N ARG 302.A O no hydrogen 2.937 N/A ALA 281.A N LEU 357.A O no hydrogen 2.898 N/A LYS 282.A N ARG 299.A O no hydrogen 3.150 N/A LYS 282.A NZ GLU 91.A OE2 no hydrogen 3.046 N/A LYS 282.A NZ PRO 369.A O no hydrogen 2.744 N/A VAL 283.A N MET 355.A O no hydrogen 2.963 N/A PHE 284.A N TYR 297.A O no hydrogen 3.066 N/A LYS 285.A NZ THR 59.A O no hydrogen 3.120 N/A LYS 285.A NZ GLU 85.A OE2 no hydrogen 2.848 N/A GLN 287.A N VAL 295.A O no hydrogen 3.094 N/A VAL 288.A N GLU 403.A OE1 no hydrogen 2.624 N/A ASP 289.A N GLY 293.A O no hydrogen 2.973 N/A PHE 291.A N ASP 289.A OD2 no hydrogen 2.989 N/A MET 292.A N ASP 289.A OD2 no hydrogen 2.465 N/A GLY 293.A N ASP 289.A O no hydrogen 3.193 N/A GLN 294.A N GLU 349.A OE2 no hydrogen 2.788 N/A VAL 295.A N GLN 287.A O no hydrogen 2.847 N/A ALA 296.A N VAL 345.A O no hydrogen 2.847 N/A TYR 297.A N LYS 285.A O no hydrogen 3.076 N/A LEU 298.A N LEU 343.A O no hydrogen 2.752 N/A ARG 299.A N LYS 282.A O no hydrogen 2.976 N/A ARG 299.A NE LEU 300.A O no hydrogen 2.927 N/A ARG 299.A NH1 ALA 92.A O no hydrogen 2.676 N/A ARG 299.A NH1 ASP 94.A OD1 no hydrogen 2.914 N/A ARG 299.A NH2 ASP 94.A OD1 no hydrogen 3.364 N/A ARG 299.A NH2 ASP 94.A OD2 no hydrogen 2.815 N/A LEU 300.A N PHE 341.A O no hydrogen 3.004 N/A TYR 301.A N LEU 280.A O no hydrogen 2.826 N/A TYR 301.A OH GLU 91.A O no hydrogen 2.568 N/A ARG 302.A N LEU 280.A O no hydrogen 3.259 N/A ARG 302.A NE PRO 278.A O no hydrogen 2.891 N/A ARG 302.A NH2 PRO 278.A O no hydrogen 3.389 N/A LEU 305.A N ALA 337.A O no hydrogen 2.806 N/A LYS 306.A N ASP 309.A OD1 no hydrogen 2.883 N/A GLY 308.A N LEU 320.A O no hydrogen 2.909 N/A ASP 309.A N LYS 306.A O no hydrogen 3.118 N/A LEU 311.A N VAL 318.A O no hydrogen 2.913 N/A GLN 312.A N TRP 358.A O no hydrogen 2.759 N/A SER 313.A OG GLY 316.A O no hydrogen 2.598 N/A ALA 315.A N SER 313.A OG no hydrogen 3.155 N/A GLY 316.A N SER 313.A O no hydrogen 2.810 N/A GLN 317.A NE2 SER 310.A OG no hydrogen 3.104 N/A VAL 318.A N LEU 311.A O no hydrogen 2.661 N/A ARG 319.A NH1 GLY 308.A O no hydrogen 3.091 N/A LEU 320.A N ASP 309.A O no hydrogen 2.885 N/A HIS 322.A ND1 GLU 333.A OE2 no hydrogen 2.784 N/A VAL 325.A N LEU 332.A O no hydrogen 2.753 N/A MET 327.A N ASP 330.A O no hydrogen 2.978 N/A GLY 328.A N VAL 61.A O no hydrogen 3.168 N/A ASP 330.A N MET 327.A O no hydrogen 3.371 N/A LEU 332.A N VAL 325.A O no hydrogen 2.805 N/A VAL 334.A N LEU 323.A O no hydrogen 2.964 N/A ALA 337.A N LEU 305.A O no hydrogen 2.877 N/A GLY 340.A N LEU 300.A O no hydrogen 2.809 N/A PHE 341.A N GLU 338.A O no hydrogen 2.999 N/A LEU 343.A N LEU 298.A O no hydrogen 2.740 N/A GLY 344.A N TYR 324.A O no hydrogen 2.749 N/A VAL 345.A N ALA 296.A O no hydrogen 2.700 N/A ALA 348.A N GLN 294.A O no hydrogen 2.994 N/A LEU 351.A N ALA 348.A O no hydrogen 2.762 N/A ARG 353.A NH2 GLY 84.A O no hydrogen 2.944 N/A GLY 354.A N VAL 283.A O no hydrogen 2.819 N/A MET 355.A N HIS 352.A O no hydrogen 3.150 N/A LEU 357.A N ALA 281.A O no hydrogen 2.923 N/A TRP 358.A N GLN 312.A O no hydrogen 3.023 N/A GLN 359.A N PRO 279.A O no hydrogen 3.218 N/A LYS 362.A NZ GLU 314.A OE2 no hydrogen 2.910 N/A GLU 364.A N GLU 367.A OE2 no hydrogen 3.184 N/A SER 365.A OG GLU 366.A OE2 no hydrogen 3.393 N/A GLU 367.A N GLU 364.A O no hydrogen 2.932 N/A VAL 368.A N SER 365.A O no hydrogen 3.426 N/A ALA 371.A N GLU 91.A OE2 no hydrogen 2.677 N/A VAL 378.A N GLY 422.A O no hydrogen 2.965 N/A VAL 380.A N LEU 420.A O no hydrogen 3.152 N/A ALA 381.A N SER 445.A O no hydrogen 2.859 N/A LEU 382.A N LEU 418.A O no hydrogen 2.833 N/A HIS 383.A N GLU 443.A O no hydrogen 3.194 N/A HIS 383.A NE2 SER 445.A OG no hydrogen 2.708 N/A LYS 385.A N GLU 441.A O no hydrogen 2.858 N/A LYS 385.A NZ GLU 441.A OE2 no hydrogen 2.880 N/A GLY 386.A N ASP 389.A OD2 no hydrogen 3.159 N/A GLU 390.A N GLY 386.A O no hydrogen 2.942 N/A ALA 391.A N ARG 387.A O no hydrogen 3.313 N/A ALA 391.A N THR 388.A O no hydrogen 3.194 N/A ARG 392.A N THR 388.A O no hydrogen 3.026 N/A ALA 396.A N ARG 392.A O no hydrogen 3.101 N/A LEU 397.A N LEU 393.A O no hydrogen 3.047 N/A ARG 398.A N GLY 394.A O no hydrogen 3.225 N/A ARG 398.A NE GLU 395.A OE1 no hydrogen 3.049 N/A ARG 398.A NE GLU 395.A OE2 no hydrogen 2.942 N/A ARG 398.A NH2 GLU 395.A OE1 no hydrogen 2.622 N/A LYS 399.A N GLU 395.A O no hydrogen 3.205 N/A LEU 400.A N ALA 396.A O no hydrogen 3.033 N/A LEU 401.A N LEU 397.A O no hydrogen 2.890 N/A GLU 402.A N ARG 398.A O no hydrogen 3.081 N/A GLU 403.A N LYS 399.A O no hydrogen 3.110 N/A ASP 404.A N LEU 400.A O no hydrogen 2.826 N/A SER 406.A N ASP 404.A OD1 no hydrogen 2.932 N/A SER 406.A OG ASP 404.A OD1 no hydrogen 2.438 N/A SER 406.A OG ASP 404.A OD2 no hydrogen 3.502 N/A LEU 407.A N ASP 404.A O no hydrogen 3.188 N/A LYS 408.A N TRP 421.A O no hydrogen 3.091 N/A GLU 410.A N LEU 419.A O no hydrogen 2.805 N/A ARG 411.A NH2 GLY 416.A O no hydrogen 2.969 N/A GLN 412.A N GLU 417.A O no hydrogen 2.953 N/A GLY 416.A N GLN 412.A O no hydrogen 2.783 N/A LEU 419.A N GLU 410.A O no hydrogen 2.695 N/A LEU 420.A N VAL 380.A O no hydrogen 3.097 N/A TRP 421.A N LYS 408.A O no hydrogen 2.711 N/A GLY 422.A N VAL 378.A O no hydrogen 2.851 N/A HIS 423.A N HIS 427.A ND1 no hydrogen 2.939 N/A HIS 423.A NE2 PRO 374.A O no hydrogen 3.085 N/A HIS 427.A N ASP 81.A OD1 no hydrogen 2.886 N/A HIS 427.A NE2 ASP 404.A OD2 no hydrogen 2.645 N/A LEU 428.A N GLY 424.A O no hydrogen 2.986 N/A ALA 429.A N GLU 425.A O no hydrogen 2.916 N/A THR 430.A N LEU 426.A O no hydrogen 2.956 N/A THR 430.A OG1 LEU 426.A O no hydrogen 3.556 N/A THR 430.A OG1 HIS 427.A O no hydrogen 2.539 N/A ALA 431.A N HIS 427.A O no hydrogen 2.946 N/A LYS 432.A N LEU 428.A O no hydrogen 2.854 N/A LYS 432.A NZ VAL 442.A O no hydrogen 2.590 N/A GLU 433.A N ALA 429.A O no hydrogen 2.987 N/A ARG 434.A N THR 430.A O no hydrogen 2.870 N/A ARG 434.A NE GLU 403.A OE2 no hydrogen 2.890 N/A ARG 434.A NH1 ASP 437.A OD2 no hydrogen 3.160 N/A ARG 434.A NH2 GLU 403.A OE1 no hydrogen 3.057 N/A LEU 435.A N ALA 431.A O no hydrogen 2.988 N/A GLN 436.A N LYS 432.A O no hydrogen 3.243 N/A ASP 437.A N GLU 433.A O no hydrogen 3.064 N/A ASP 437.A N ARG 434.A O no hydrogen 2.901 N/A TYR 438.A N ARG 434.A O no hydrogen 3.227 N/A TYR 438.A N LEU 435.A O no hydrogen 3.060 N/A TYR 438.A OH VAL 288.A O no hydrogen 2.775 N/A GLY 439.A N GLN 436.A O no hydrogen 3.062 N/A VAL 440.A N LEU 435.A O no hydrogen 3.041 N/A GLU 441.A N ASP 389.A OD1 no hydrogen 2.977 N/A GLU 443.A N HIS 383.A O no hydrogen 2.998 N/A SER 445.A N ALA 381.A O no hydrogen 3.219 N/A SER 445.A OG HIS 383.A NE2 no hydrogen 2.708 N/A LYS 448.A N GLU 417.A OE1 no hydrogen 2.687 N/A TYR 451.A N VAL 449.A O no hydrogen 2.968 N/A ARG 452.A N LEU 567.A O no hydrogen 3.140 N/A ARG 452.A NE GLU 414.A OE1 no hydrogen 3.244 N/A ARG 452.A NE GLU 414.A OE2 no hydrogen 3.258 N/A ARG 452.A NH2 GLU 414.A OE2 no hydrogen 2.737 N/A GLU 453.A N PRO 524.A O no hydrogen 2.692 N/A THR 454.A N VAL 565.A O no hydrogen 3.009 N/A THR 454.A OG1 MET 526.A O no hydrogen 2.856 N/A THR 454.A OG1 GLY 527.A O no hydrogen 3.262 N/A LYS 456.A N ALA 562.A O no hydrogen 3.082 N/A LYS 456.A N HIS 563.A O no hydrogen 3.034 N/A LYS 457.A N ALA 562.A O no hydrogen 2.967 N/A ALA 459.A N LEU 482.A O no hydrogen 3.283 N/A GLY 461.A N LEU 480.A O no hydrogen 2.844 N/A GLN 462.A NE2 ASP 477.A OD1 no hydrogen 3.531 N/A GLN 462.A NE2 ASP 477.A OD2 no hydrogen 2.681 N/A GLY 463.A N VAL 478.A O no hydrogen 2.764 N/A LYS 464.A NZ TYR 475.A OH no hydrogen 2.512 N/A TYR 465.A N GLY 476.A O no hydrogen 2.878 N/A LYS 467.A N GLN 474.A O no hydrogen 3.189 N/A GLY 473.A N ASP 541.A OD1 no hydrogen 3.181 N/A GLN 474.A N LYS 467.A O no hydrogen 2.664 N/A TYR 475.A N ASP 541.A O no hydrogen 2.927 N/A TYR 475.A OH SER 536.A OG no hydrogen 2.768 N/A GLY 476.A N TYR 465.A O no hydrogen 2.909 N/A VAL 478.A N GLY 463.A O no hydrogen 2.867 N/A TRP 479.A N ASN 534.A O no hydrogen 2.796 N/A LEU 480.A N GLY 461.A O no hydrogen 2.754 N/A ARG 481.A N ILE 531.A O no hydrogen 2.871 N/A ARG 481.A NE GLU 460.A OE2 no hydrogen 2.799 N/A LEU 482.A N ALA 459.A O no hydrogen 2.825 N/A GLU 483.A N LYS 529.A O no hydrogen 3.142 N/A ALA 485.A N GLY 527.A O no hydrogen 3.191 N/A TYR 488.A OH GLU 508.A OE2 no hydrogen 2.835 N/A GLY 489.A N PHE 528.A O no hydrogen 3.236 N/A GLU 491.A N ALA 530.A O no hydrogen 2.894 N/A ARG 493.A N VAL 532.A O no hydrogen 2.771 N/A ARG 493.A NH1 TRP 492.A O no hydrogen 2.982 N/A VAL 498.A N THR 495.A O no hydrogen 3.179 N/A TYR 503.A N PRO 500.A O no hydrogen 3.197 N/A GLN 504.A N SER 501.A O no hydrogen 3.151 N/A ILE 507.A N TYR 503.A O no hydrogen 2.926 N/A GLU 508.A N GLN 504.A O no hydrogen 3.055 N/A GLU 509.A N GLU 505.A O no hydrogen 2.939 N/A GLY 510.A N ALA 506.A O no hydrogen 3.014 N/A ILE 511.A N ILE 507.A O no hydrogen 3.085 N/A LYS 512.A N GLU 508.A O no hydrogen 2.905 N/A GLU 513.A N GLU 509.A O no hydrogen 2.906 N/A ALA 514.A N GLY 510.A O no hydrogen 3.204 N/A ALA 515.A N ILE 511.A O no hydrogen 3.015 N/A LYS 516.A N GLU 513.A O no hydrogen 3.010 N/A LYS 517.A N ALA 514.A O no hydrogen 3.264 N/A GLY 518.A N PHE 523.A O no hydrogen 2.686 N/A LEU 520.A N GLU 453.A OE1 no hydrogen 2.777 N/A ALA 521.A N GLU 453.A OE2 no hydrogen 2.761 N/A GLY 522.A N GLY 518.A O no hydrogen 3.288 N/A PHE 523.A N GLU 453.A OE2 no hydrogen 2.819 N/A VAL 525.A N ALA 515.A O no hydrogen 2.711 N/A MET 526.A N GLU 453.A O no hydrogen 2.850 N/A LYS 529.A N GLU 483.A O no hydrogen 2.843 N/A LYS 529.A NZ GLU 487.A O no hydrogen 3.177 N/A ALA 530.A N GLY 489.A O no hydrogen 2.882 N/A ILE 531.A N ARG 481.A O no hydrogen 2.911 N/A VAL 532.A N GLU 491.A O no hydrogen 3.135 N/A TYR 533.A N TRP 479.A O no hydrogen 3.304 N/A SER 536.A N ASP 477.A O no hydrogen 3.303 N/A SER 536.A OG TYR 475.A OH no hydrogen 2.768 N/A SER 536.A OG ASP 477.A OD1 no hydrogen 2.671 N/A HIS 538.A N SER 542.A OG no hydrogen 2.952 N/A SER 542.A N HIS 538.A O no hydrogen 2.981 N/A SER 542.A OG TYR 475.A O no hydrogen 2.679 N/A SER 543.A OG GLN 474.A OE1 no hydrogen 2.742 N/A ALA 546.A N SER 543.A OG no hydrogen 3.330 N/A PHE 547.A N SER 543.A O no hydrogen 3.127 N/A GLN 548.A N ASP 544.A O no hydrogen 2.824 N/A ILE 549.A N LEU 545.A O no hydrogen 2.962 N/A ALA 550.A N ALA 546.A O no hydrogen 2.823 N/A ALA 551.A N PHE 547.A O no hydrogen 2.678 N/A SER 552.A N GLN 548.A O no hydrogen 2.881 N/A SER 552.A OG GLN 548.A O no hydrogen 2.871 N/A SER 552.A OG ILE 549.A O no hydrogen 2.545 N/A LEU 553.A N ILE 549.A O no hydrogen 2.856 N/A ALA 554.A N ALA 550.A O no hydrogen 3.032 N/A PHE 555.A N ALA 551.A O no hydrogen 3.018 N/A LYS 556.A N SER 552.A O no hydrogen 3.221 N/A LYS 557.A N LEU 553.A O no hydrogen 3.303 N/A VAL 558.A N ALA 554.A O no hydrogen 2.896 N/A MET 559.A N PHE 555.A O no hydrogen 2.775 N/A ALA 560.A N LYS 556.A O no hydrogen 3.383 N/A GLU 561.A N VAL 558.A O no hydrogen 3.016 N/A ALA 562.A N MET 559.A O no hydrogen 2.893 N/A HIS 563.A ND1 HIS 563.A O no hydrogen 2.863 N/A VAL 565.A N THR 454.A O no hydrogen 2.920 N/A LEU 567.A N ARG 452.A O no hydrogen 2.606 N/A GLU 568.A N ALA 642.A O no hydrogen 2.605 N/A TYR 571.A N VAL 612.A O no hydrogen 2.823 N/A ARG 572.A N GLU 637.A O no hydrogen 2.717 N/A LEU 573.A N ALA 610.A O no hydrogen 3.200 N/A LYS 574.A N THR 635.A O no hydrogen 3.158 N/A ARG 581.A NH1 LEU 627.A O no hydrogen 3.274 N/A LEU 586.A N VAL 582.A O no hydrogen 3.213 N/A ASP 588.A N VAL 585.A O no hydrogen 3.310 N/A LEU 589.A N VAL 585.A O no hydrogen 3.373 N/A ALA 591.A N ASP 588.A O no hydrogen 3.171 N/A ARG 592.A N LEU 589.A O no hydrogen 2.768 N/A ARG 592.A NE ASP 588.A OD2 no hydrogen 2.793 N/A ARG 592.A NH1 GLU 616.A O no hydrogen 2.896 N/A ARG 593.A NH2 GLU 568.A OE1 no hydrogen 2.889 N/A GLY 594.A N LEU 589.A O no hydrogen 3.053 N/A LEU 597.A N HIS 609.A O no hydrogen 3.434 N/A VAL 607.A N GLU 600.A O no hydrogen 2.880 N/A VAL 608.A N VAL 575.A O no hydrogen 3.030 N/A HIS 609.A N GLY 598.A O no hydrogen 2.783 N/A ALA 610.A N LEU 573.A O no hydrogen 2.910 N/A VAL 612.A N TYR 571.A O no hydrogen 2.763 N/A LEU 614.A N PRO 569.A O no hydrogen 2.999 N/A VAL 617.A N LEU 614.A O no hydrogen 3.303 N/A TYR 620.A N VAL 617.A O no hydrogen 3.461 N/A LYS 622.A N GLU 619.A O no hydrogen 3.056 N/A LYS 622.A NZ GLU 619.A OE2 no hydrogen 2.907 N/A LEU 624.A N TYR 620.A O no hydrogen 3.274 N/A GLY 626.A N ALA 623.A O no hydrogen 2.887 N/A LEU 627.A N LEU 624.A O no hydrogen 2.875 N/A THR 628.A N LEU 624.A O no hydrogen 2.906 N/A THR 628.A OG1 LEU 624.A O no hydrogen 2.950 N/A THR 628.A OG1 GLY 632.A O no hydrogen 3.255 N/A ALA 631.A N THR 628.A O no hydrogen 3.042 N/A GLU 637.A N ARG 572.A O no hydrogen 3.293 N/A SER 639.A N ILE 570.A O no hydrogen 2.751 N/A SER 639.A OG HIS 640.A ND1 no hydrogen 2.902 N/A HIS 640.A N ILE 570.A O no hydrogen 3.058 N/A HIS 640.A ND1 SER 639.A OG no hydrogen 2.902 N/A TYR 641.A OH PRO 450.A O no hydrogen 3.031 N/A ALA 642.A N GLU 568.A O no hydrogen 2.898 N/A VAL 644.A N LEU 566.A O no hydrogen 2.826 N/A ALA 649.A N PRO 645.A O no hydrogen 2.806 N/A GLN 650.A N PRO 646.A O no hydrogen 3.083 N/A ARG 651.A N HIS 647.A O no hydrogen 3.381 N/A ILE 652.A N LEU 648.A O no hydrogen 2.647 N/A VAL 653.A N ALA 649.A O no hydrogen 2.961 N/A GLN 654.A N GLN 650.A O no hydrogen 2.973 N/A GLU 655.A N ARG 651.A O no hydrogen 3.202 N/A ARG 656.A N ILE 652.A O no hydrogen 3.183 N/A ALA 657.A N VAL 653.A O no hydrogen 3.104 N/A GLN 658.A N GLN 654.A O no hydrogen 2.548 N/A