Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dkh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 ASP 554.A OD1 no hydrogen 3.296 N/A GLN 2.A NE2 ASP 554.A OD2 no hydrogen 3.256 N/A GLY 7.A N HIS 4.A O no hydrogen 3.327 N/A ARG 9.A N HIS 4.A ND1 no hydrogen 3.124 N/A ARG 9.A NH2 PRO 13.A O no hydrogen 3.095 N/A LEU 14.A N ASN 12.A OD1 no hydrogen 2.913 N/A ILE 15.A N ASN 12.A O no hydrogen 3.022 N/A ALA 16.A N ASN 153.A O no hydrogen 2.935 N/A SER 19.A N PRO 155.A O no hydrogen 2.862 N/A LEU 21.A N SER 19.A OG no hydrogen 3.058 N/A ALA 22.A N SER 19.A O no hydrogen 3.259 N/A THR 26.A OG1 ALA 28.A O no hydrogen 2.527 N/A VAL 29.A N GLU 196.A OE1 no hydrogen 3.212 N/A VAL 33.A N GLN 199.A O no hydrogen 2.912 N/A ASP 34.A N ARG 58.A O no hydrogen 2.836 N/A VAL 35.A N ARG 58.A O no hydrogen 3.099 N/A LEU 36.A N TYR 202.A O no hydrogen 2.966 N/A ILE 37.A N CYS 60.A O no hydrogen 2.794 N/A VAL 38.A N VAL 204.A O no hydrogen 2.900 N/A GLY 39.A N VAL 62.A O no hydrogen 2.783 N/A CYS 40.A N GLU 63.A OE2 no hydrogen 2.702 N/A LEU 45.A N GLY 41.A O no hydrogen 2.935 N/A THR 46.A N PRO 42.A O no hydrogen 3.044 N/A THR 46.A OG1 PRO 42.A O no hydrogen 2.718 N/A THR 46.A OG1 TYR 147.A OH no hydrogen 2.844 N/A LEU 47.A N ALA 43.A O no hydrogen 3.122 N/A ALA 48.A N GLY 44.A O no hydrogen 2.825 N/A ALA 49.A N LEU 45.A O no hydrogen 2.875 N/A GLN 50.A N THR 46.A O no hydrogen 3.031 N/A GLN 50.A NE2 GLN 50.A O no hydrogen 2.916 N/A GLN 50.A NE2 ALA 470.A O no hydrogen 3.009 N/A LEU 51.A N LEU 47.A O no hydrogen 2.933 N/A ALA 52.A N ALA 48.A O no hydrogen 2.832 N/A ALA 53.A N GLN 50.A O no hydrogen 3.249 N/A PHE 54.A N LEU 51.A O no hydrogen 3.018 N/A ILE 57.A N PHE 54.A O no hydrogen 3.007 N/A ARG 58.A N ASP 34.A OD1 no hydrogen 2.846 N/A ARG 58.A NH1 PRO 55.A O no hydrogen 2.642 N/A ARG 58.A NH2 PRO 55.A O no hydrogen 2.795 N/A CYS 60.A N VAL 35.A O no hydrogen 2.944 N/A CYS 60.A SG HIS 161.A ND1 no hydrogen 3.651 N/A VAL 62.A N ILE 37.A O no hydrogen 2.935 N/A GLU 63.A N HIS 161.A O no hydrogen 3.218 N/A LYS 65.A N GLU 63.A OE1 no hydrogen 2.795 N/A GLY 72.A N ASN 139.A OD1 no hydrogen 2.865 N/A GLN 73.A N GLN 73.A OE1 no hydrogen 2.626 N/A ALA 74.A N GLN 140.A OE1 no hydrogen 2.957 N/A ILE 77.A N VAL 136.A O no hydrogen 2.805 N/A ALA 78.A N ASN 352.A OD1 no hydrogen 2.869 N/A CYS 79.A SG PHE 133.A O no hydrogen 3.454 N/A ARG 80.A N ALA 418.A O no hydrogen 2.930 N/A ARG 80.A NE TYR 591.A OH no hydrogen 3.132 N/A ARG 80.A NH1 GLN 590.A OE1 no hydrogen 3.034 N/A ARG 80.A NH2 ARG 80.A O no hydrogen 2.867 N/A ARG 80.A NH2 GLN 590.A OE1 no hydrogen 2.874 N/A THR 81.A OG1 ASN 352.A OD1 no hydrogen 2.566 N/A MET 82.A N ALA 78.A O no hydrogen 2.925 N/A GLU 83.A N CYS 79.A O no hydrogen 3.057 N/A MET 84.A N ARG 80.A O no hydrogen 3.141 N/A PHE 85.A N THR 81.A O no hydrogen 2.857 N/A GLU 86.A N MET 82.A O no hydrogen 2.896 N/A ALA 87.A N GLU 83.A O no hydrogen 3.249 N/A PHE 88.A N MET 84.A O no hydrogen 3.068 N/A PHE 88.A N PHE 85.A O no hydrogen 3.045 N/A GLU 89.A N GLU 86.A O no hydrogen 2.992 N/A PHE 90.A N PHE 85.A O no hydrogen 3.055 N/A SER 93.A N ASP 92.A OD1 no hydrogen 2.681 N/A ILE 94.A N PHE 90.A O no hydrogen 3.276 N/A LEU 95.A N ALA 91.A O no hydrogen 2.868 N/A LYS 96.A N ASP 92.A O no hydrogen 3.165 N/A GLU 97.A N SER 93.A O no hydrogen 3.220 N/A GLU 97.A N ILE 94.A O no hydrogen 3.185 N/A ALA 98.A N ILE 94.A O no hydrogen 2.813 N/A CYS 99.A N ILE 137.A O no hydrogen 2.890 N/A CYS 99.A SG TRP 100.A O no hydrogen 3.847 N/A CYS 99.A SG PRO 261.A O no hydrogen 3.858 N/A TRP 100.A NE1 LEU 95.A O no hydrogen 2.973 N/A ILE 101.A N HIS 135.A O no hydrogen 2.908 N/A VAL 104.A N VAL 123.A O no hydrogen 2.942 N/A THR 105.A N LYS 247.A O no hydrogen 3.046 N/A THR 105.A OG1 ASP 243.A OD1 no hydrogen 2.875 N/A PHE 106.A N GLY 121.A O no hydrogen 2.853 N/A TRP 107.A N ALA 249.A O no hydrogen 2.939 N/A TRP 107.A NE1 ASP 243.A OD1 no hydrogen 2.879 N/A LYS 108.A N ALA 118.A O no hydrogen 3.066 N/A ASP 110.A N ARG 116.A O no hydrogen 2.750 N/A GLY 112.A N ASP 110.A OD1 no hydrogen 2.842 N/A GLN 113.A N ASP 110.A O no hydrogen 3.049 N/A GLN 113.A NE2 ASP 110.A OD2 no hydrogen 3.406 N/A ALA 118.A N LYS 108.A O no hydrogen 2.827 N/A ARG 119.A NE ASP 243.A OD1 no hydrogen 2.825 N/A ARG 119.A NH2 ASP 243.A OD1 no hydrogen 3.549 N/A ARG 119.A NH2 ASP 243.A OD2 no hydrogen 2.860 N/A HIS 120.A N PHE 106.A O no hydrogen 2.702 N/A GLY 121.A N PHE 106.A O no hydrogen 3.134 N/A ARG 122.A NH2 ASP 103.A OD1 no hydrogen 3.057 N/A VAL 123.A N VAL 104.A O no hydrogen 2.916 N/A GLN 124.A NE2 THR 126.A O no hydrogen 2.822 N/A GLN 124.A NE2 ASP 128.A OD2 no hydrogen 2.642 N/A ASP 125.A N ASN 102.A O no hydrogen 2.866 N/A LEU 130.A N GLU 127.A O no hydrogen 3.121 N/A SER 131.A OG GLU 83.A OE1 no hydrogen 2.698 N/A SER 131.A OG PHE 133.A O no hydrogen 3.353 N/A GLU 132.A N GLU 132.A OE2 no hydrogen 2.724 N/A PHE 133.A N SER 131.A OG no hydrogen 3.029 N/A HIS 135.A ND1 ASP 125.A OD2 no hydrogen 2.719 N/A VAL 136.A N ILE 77.A O no hydrogen 3.037 N/A ILE 137.A N CYS 99.A O no hydrogen 2.753 N/A LEU 138.A N ASP 75.A O no hydrogen 2.753 N/A ASN 139.A N GLU 263.A OE2 no hydrogen 3.280 N/A ASN 139.A ND2 GLU 70.A O no hydrogen 3.004 N/A GLN 140.A N ALA 74.A O no hydrogen 3.034 N/A GLN 140.A NE2 HIS 144.A NE2 no hydrogen 3.051 N/A ALA 141.A N ASN 139.A OD1 no hydrogen 2.888 N/A ARG 142.A N ASN 139.A O no hydrogen 2.825 N/A ARG 142.A NE GLU 97.A OE1 no hydrogen 2.773 N/A ARG 142.A NE GLU 97.A OE2 no hydrogen 3.427 N/A ARG 142.A NH1 GLU 97.A OE2 no hydrogen 2.951 N/A ARG 142.A NH2 ASP 145.A OD2 no hydrogen 2.883 N/A HIS 144.A N GLN 140.A O no hydrogen 2.985 N/A ASP 145.A N ALA 141.A O no hydrogen 2.865 N/A HIS 146.A N ARG 142.A O no hydrogen 3.155 N/A TYR 147.A N VAL 143.A O no hydrogen 3.069 N/A TYR 147.A OH THR 46.A OG1 no hydrogen 2.844 N/A LEU 148.A N HIS 144.A O no hydrogen 2.826 N/A GLU 149.A N ASP 145.A O no hydrogen 2.971 N/A ARG 150.A N HIS 146.A O no hydrogen 2.927 N/A ARG 150.A NH1 GLU 89.A OE2 no hydrogen 2.996 N/A ARG 150.A NH2 GLU 89.A OE2 no hydrogen 3.448 N/A MET 151.A N TYR 147.A O no hydrogen 2.854 N/A ARG 152.A N LEU 148.A O no hydrogen 2.931 N/A ASN 153.A N GLU 149.A O no hydrogen 2.858 N/A SER 154.A N MET 151.A O no hydrogen 3.377 N/A SER 154.A OG ALA 52.A O no hydrogen 3.228 N/A SER 154.A OG MET 151.A O no hydrogen 2.675 N/A SER 156.A N SER 154.A OG no hydrogen 3.194 N/A SER 156.A OG ALA 52.A O no hydrogen 2.741 N/A ARG 157.A N SER 154.A O no hydrogen 3.066 N/A ARG 157.A NH1 ALA 16.A O no hydrogen 2.841 N/A ARG 157.A NH2 ALA 16.A O no hydrogen 2.895 N/A ARG 157.A NH2 SER 154.A O no hydrogen 2.846 N/A HIS 161.A N ILE 61.A O no hydrogen 2.933 N/A HIS 161.A NE2 THR 26.A O no hydrogen 2.935 N/A ALA 163.A N LYS 65.A O no hydrogen 2.907 N/A ARG 164.A N GLU 63.A O no hydrogen 2.859 N/A ARG 164.A NE GLU 196.A OE2 no hydrogen 2.835 N/A ARG 164.A NH1 GLU 27.A O no hydrogen 2.931 N/A ARG 164.A NH1 GLU 196.A OE1 no hydrogen 2.973 N/A ARG 164.A NH2 TYR 162.A O no hydrogen 3.093 N/A ARG 165.A N GLU 185.A O no hydrogen 2.823 N/A ARG 165.A NH2 GLN 64.A OE1 no hydrogen 2.763 N/A LEU 167.A N THR 183.A O no hydrogen 2.791 N/A ASP 168.A N THR 183.A O no hydrogen 3.431 N/A VAL 169.A N ASP 168.A OD2 no hydrogen 2.736 N/A LYS 170.A N THR 181.A O no hydrogen 2.934 N/A ASP 172.A N PRO 179.A O no hydrogen 2.764 N/A GLY 174.A N ASP 172.A OD2 no hydrogen 2.986 N/A ALA 175.A N ASP 172.A O no hydrogen 2.936 N/A TYR 178.A N ASP 177.A OD2 no hydrogen 2.894 N/A VAL 180.A N ALA 200.A O no hydrogen 3.039 N/A THR 181.A N LYS 170.A O no hydrogen 2.750 N/A THR 181.A OG1 GLN 199.A OE1 no hydrogen 2.747 N/A VAL 182.A N VAL 198.A O no hydrogen 2.766 N/A THR 183.A N ASP 168.A O no hydrogen 2.991 N/A LEU 184.A N GLU 196.A O no hydrogen 2.746 N/A GLU 185.A N ARG 165.A O no hydrogen 2.913 N/A ARG 186.A N GLN 194.A O no hydrogen 2.792 N/A ARG 186.A NH1 GLU 27.A OE1 no hydrogen 3.341 N/A ARG 186.A NH2 GLU 27.A OE2 no hydrogen 2.534 N/A CYS 187.A N ALA 163.A O no hydrogen 2.778 N/A CYS 187.A SG GLN 64.A O no hydrogen 3.987 N/A CYS 187.A SG GLU 185.A O no hydrogen 3.675 N/A HIS 191.A N ASP 188.A O no hydrogen 3.056 N/A HIS 191.A ND1 ASP 188.A OD1 no hydrogen 2.697 N/A ALA 192.A N ALA 189.A O no hydrogen 3.339 N/A GLY 193.A N ARG 186.A O no hydrogen 3.161 N/A GLN 194.A N HIS 191.A O no hydrogen 2.782 N/A GLU 196.A N LEU 184.A O no hydrogen 2.762 N/A VAL 198.A N VAL 182.A O no hydrogen 2.884 N/A GLN 199.A N SER 31.A O no hydrogen 2.933 N/A GLN 199.A NE2 TYR 178.A O no hydrogen 2.950 N/A ALA 200.A N VAL 180.A O no hydrogen 2.788 N/A ARG 201.A N VAL 33.A O no hydrogen 3.204 N/A ARG 201.A NE ASP 177.A OD2 no hydrogen 3.001 N/A ARG 201.A NH1 ASP 177.A OD1 no hydrogen 2.897 N/A TYR 202.A N ASP 34.A O no hydrogen 2.905 N/A VAL 203.A N ARG 332.A O no hydrogen 3.139 N/A VAL 204.A N LEU 36.A O no hydrogen 2.882 N/A GLY 205.A N PHE 334.A O no hydrogen 2.719 N/A CYS 206.A N VAL 38.A O no hydrogen 2.788 N/A ASP 207.A N ASP 207.A OD1 no hydrogen 2.541 N/A SER 211.A N GLY 208.A O no hydrogen 2.823 N/A SER 211.A OG ASP 207.A OD1 no hydrogen 2.585 N/A SER 211.A OG ASP 207.A OD2 no hydrogen 3.110 N/A ASN 212.A ND2 VAL 166.A O no hydrogen 2.879 N/A VAL 213.A N ASP 207.A OD2 no hydrogen 3.054 N/A ARG 214.A N SER 211.A OG no hydrogen 2.861 N/A ARG 214.A NH1 ALA 209.A O no hydrogen 2.884 N/A ARG 214.A NH1 ALA 339.A O no hydrogen 2.920 N/A ARG 214.A NH2 ALA 209.A O no hydrogen 2.937 N/A ARG 215.A N SER 211.A O no hydrogen 3.448 N/A ALA 216.A N ASN 212.A O no hydrogen 2.847 N/A ILE 217.A N VAL 213.A O no hydrogen 3.102 N/A ILE 217.A N ARG 214.A O no hydrogen 3.232 N/A GLY 218.A N ARG 215.A O no hydrogen 3.113 N/A ARG 219.A N ARG 214.A O no hydrogen 3.076 N/A ARG 219.A NE ASP 317.A O no hydrogen 2.882 N/A ARG 219.A NH1 ASP 317.A O no hydrogen 2.926 N/A ARG 219.A NH1 VAL 319.A O no hydrogen 2.658 N/A VAL 222.A N ILE 312.A O no hydrogen 2.972 N/A ASP 224.A N GLN 310.A O no hydrogen 3.112 N/A TRP 230.A N TYR 306.A O no hydrogen 2.708 N/A TRP 230.A NE1 GLN 228.A OE1 no hydrogen 2.766 N/A GLY 231.A N VAL 272.A O no hydrogen 2.788 N/A VAL 232.A N SER 304.A O no hydrogen 2.700 N/A MET 233.A N PHE 270.A O no hydrogen 3.036 N/A ASP 234.A N TRP 302.A O no hydrogen 2.729 N/A VAL 235.A N VAL 268.A O no hydrogen 2.824 N/A LEU 236.A N ASN 299.A O no hydrogen 2.856 N/A VAL 238.A N GLU 296.A O no hydrogen 2.874 N/A THR 239.A OG1 LYS 294.A O no hydrogen 2.587 N/A PHE 241.A N THR 239.A OG1 no hydrogen 2.984 N/A ARG 245.A NH1 LEU 267.A O no hydrogen 3.002 N/A ARG 245.A NH2 ARG 262.A O no hydrogen 2.755 N/A TYR 246.A N ASP 243.A O no hydrogen 2.984 N/A VAL 248.A N ILE 259.A O no hydrogen 2.931 N/A ALA 249.A N THR 105.A O no hydrogen 3.006 N/A ILE 250.A N VAL 257.A O no hydrogen 2.714 N/A GLN 251.A N TRP 107.A O no hydrogen 2.945 N/A SER 252.A N GLY 255.A O no hydrogen 3.150 N/A SER 252.A OG GLY 255.A O no hydrogen 2.779 N/A GLN 254.A N SER 252.A OG no hydrogen 3.029 N/A GLY 255.A N SER 252.A O no hydrogen 3.328 N/A ASN 256.A ND2 GLU 273.A OE2 no hydrogen 2.805 N/A VAL 257.A N ILE 250.A O no hydrogen 2.814 N/A LEU 258.A N TYR 271.A O no hydrogen 2.905 N/A ILE 259.A N VAL 248.A O no hydrogen 2.726 N/A ILE 260.A N ARG 269.A O no hydrogen 2.839 N/A ARG 262.A N LEU 267.A O no hydrogen 3.028 N/A ARG 262.A NE GLU 263.A OE1 no hydrogen 3.402 N/A ARG 262.A NE GLU 263.A OE2 no hydrogen 2.852 N/A ARG 262.A NH1 ASP 234.A OD1 no hydrogen 3.033 N/A ARG 262.A NH2 GLU 263.A OE1 no hydrogen 2.887 N/A GLU 263.A N GLU 263.A OE2 no hydrogen 2.689 N/A VAL 268.A N VAL 235.A O no hydrogen 3.019 N/A ARG 269.A N ILE 260.A O no hydrogen 2.848 N/A ARG 269.A NE ASP 234.A OD2 no hydrogen 2.686 N/A ARG 269.A NH1 GLN 73.A O no hydrogen 3.177 N/A ARG 269.A NH1 ASP 234.A OD1 no hydrogen 3.060 N/A ARG 269.A NH1 ASP 234.A OD2 no hydrogen 3.498 N/A ARG 269.A NH2 GLN 73.A O no hydrogen 2.640 N/A ARG 269.A NH2 TYR 271.A OH no hydrogen 3.058 N/A PHE 270.A N MET 233.A O no hydrogen 2.871 N/A TYR 271.A N LEU 258.A O no hydrogen 2.847 N/A VAL 272.A N GLY 231.A O no hydrogen 2.696 N/A GLU 273.A N ASN 256.A O no hydrogen 2.940 N/A MET 274.A N ALA 229.A O no hydrogen 2.929 N/A THR 278.A N GLN 281.A OE1 no hydrogen 3.388 N/A GLN 281.A N THR 278.A OG1 no hydrogen 3.066 N/A GLN 281.A NE2 ASN 276.A O no hydrogen 3.423 N/A LEU 282.A N THR 278.A O no hydrogen 3.195 N/A ILE 283.A N VAL 279.A O no hydrogen 2.832 N/A ALA 284.A N GLU 280.A O no hydrogen 2.907 N/A THR 285.A N GLN 281.A O no hydrogen 2.930 N/A THR 285.A OG1 GLN 281.A O no hydrogen 3.113 N/A ALA 286.A N LEU 282.A O no hydrogen 2.929 N/A GLN 287.A N ILE 283.A O no hydrogen 2.897 N/A GLN 287.A NE2 LEU 295.A O no hydrogen 2.772 N/A ARG 288.A N ALA 284.A O no hydrogen 3.094 N/A VAL 289.A N THR 285.A O no hydrogen 2.909 N/A LEU 290.A N ALA 286.A O no hydrogen 2.855 N/A HIS 291.A N GLN 287.A O no hydrogen 3.027 N/A TYR 293.A N LEU 290.A O no hydrogen 2.861 N/A LYS 294.A N ASP 240.A OD2 no hydrogen 2.767 N/A GLU 296.A N VAL 238.A O no hydrogen 2.890 N/A LYS 298.A N LEU 236.A O no hydrogen 2.840 N/A ASN 299.A N LEU 236.A O no hydrogen 3.134 N/A SER 304.A N VAL 232.A O no hydrogen 2.709 N/A TYR 306.A N TRP 230.A O no hydrogen 2.673 N/A ARG 311.A N THR 342.A O no hydrogen 3.099 N/A ARG 311.A N THR 342.A OG1 no hydrogen 3.302 N/A ILE 312.A N VAL 222.A O no hydrogen 2.978 N/A CYS 313.A N CYS 340.A O no hydrogen 2.809 N/A CYS 313.A SG ALA 339.A O no hydrogen 3.907 N/A CYS 313.A SG CYS 340.A O no hydrogen 3.868 N/A LYS 315.A NZ ASP 317.A OD2 no hydrogen 3.097 N/A LYS 315.A NZ VAL 319.A O no hydrogen 2.732 N/A LYS 315.A NZ ASP 321.A O no hydrogen 2.732 N/A TYR 316.A N SER 382.A OG no hydrogen 2.847 N/A ASP 318.A N VAL 333.A O no hydrogen 3.084 N/A VAL 319.A N ASP 317.A OD2 no hydrogen 2.960 N/A THR 325.A N SER 328.A OG no hydrogen 2.896 N/A ASP 327.A N THR 325.A OG1 no hydrogen 3.353 N/A SER 328.A N THR 325.A O no hydrogen 3.012 N/A SER 328.A OG ASP 321.A OD1 no hydrogen 2.652 N/A SER 328.A OG THR 325.A O no hydrogen 3.374 N/A ARG 332.A N ASP 318.A OD2 no hydrogen 2.850 N/A ARG 332.A NH1 ARG 201.A O no hydrogen 2.807 N/A VAL 333.A N ASP 318.A OD2 no hydrogen 3.144 N/A PHE 334.A N VAL 203.A O no hydrogen 2.964 N/A ILE 335.A N TYR 316.A O no hydrogen 2.915 N/A ALA 336.A N GLY 205.A O no hydrogen 2.899 N/A GLY 337.A N ASP 357.A OD1 no hydrogen 2.927 N/A CYS 340.A N GLY 337.A O no hydrogen 2.922 N/A CYS 340.A SG ILE 335.A O no hydrogen 3.329 N/A CYS 340.A SG GLY 337.A O no hydrogen 3.473 N/A HIS 341.A N GLY 337.A O no hydrogen 3.175 N/A HIS 341.A ND1 HIS 343.A NE2 no hydrogen 3.019 N/A HIS 341.A NE2 ASP 357.A OD1 no hydrogen 2.502 N/A THR 342.A N ARG 311.A O no hydrogen 2.899 N/A THR 342.A OG1 GLY 309.A O no hydrogen 2.825 N/A HIS 343.A NE2 HIS 341.A ND1 no hydrogen 3.019 N/A SER 344.A N GLN 310.A OE1 no hydrogen 3.310 N/A SER 344.A OG GLN 310.A OE1 no hydrogen 2.973 N/A LYS 346.A NZ ASN 227.A OD1 no hydrogen 3.552 N/A ALA 347.A N SER 344.A O no hydrogen 2.868 N/A GLY 348.A N PRO 345.A O no hydrogen 3.300 N/A GLN 349.A NE2 PHE 416.A O no hydrogen 3.113 N/A ASN 352.A N GLN 349.A O no hydrogen 2.949 N/A ASN 352.A ND2 GLY 76.A O no hydrogen 3.025 N/A ASN 352.A ND2 GLN 349.A O no hydrogen 2.944 N/A SER 354.A OG ASP 338.A OD1 no hydrogen 3.544 N/A MET 355.A N MET 351.A O no hydrogen 3.276 N/A GLN 356.A N ASN 352.A O no hydrogen 3.376 N/A ASP 357.A N PHE 353.A O no hydrogen 3.285 N/A ASP 357.A N SER 354.A O no hydrogen 3.082 N/A SER 358.A OG ALA 43.A O no hydrogen 2.550 N/A PHE 359.A N MET 355.A O no hydrogen 3.037 N/A ASN 360.A N GLN 356.A O no hydrogen 3.062 N/A ASN 360.A N ASP 357.A O no hydrogen 3.238 N/A ASN 360.A ND2 GLU 384.A OE2 no hydrogen 2.901 N/A ASN 360.A ND2 TYR 424.A OH no hydrogen 3.353 N/A LEU 361.A N ASP 357.A O no hydrogen 3.122 N/A GLY 362.A N SER 358.A O no hydrogen 2.850 N/A TRP 363.A NE1 ASP 589.A OD2 no hydrogen 3.041 N/A LYS 364.A NZ ASN 360.A OD1 no hydrogen 2.751 N/A LYS 364.A NZ THR 380.A OG1 no hydrogen 2.867 N/A LYS 364.A NZ GLU 384.A OE2 no hydrogen 2.896 N/A LEU 365.A N LEU 361.A O no hydrogen 3.002 N/A ALA 366.A N GLY 362.A O no hydrogen 3.084 N/A ALA 367.A N TRP 363.A O no hydrogen 2.937 N/A VAL 368.A N LYS 364.A O no hydrogen 2.983 N/A LEU 369.A N LEU 365.A O no hydrogen 2.894 N/A ARG 370.A N ALA 366.A O no hydrogen 2.990 N/A ARG 370.A NE ASP 56.A OD1 no hydrogen 2.814 N/A ARG 370.A NH2 ASP 56.A OD1 no hydrogen 3.558 N/A ARG 370.A NH2 ASP 56.A OD2 no hydrogen 2.660 N/A LYS 371.A N VAL 368.A O no hydrogen 2.974 N/A GLN 372.A N ALA 367.A O no hydrogen 2.843 N/A CYS 373.A N ALA 367.A O no hydrogen 3.280 N/A ALA 374.A N PHE 611.A O no hydrogen 2.784 N/A GLU 376.A N GLU 376.A OE1 no hydrogen 2.825 N/A LEU 377.A N ALA 374.A O no hydrogen 2.926 N/A LEU 378.A N PRO 375.A O no hydrogen 2.895 N/A HIS 379.A N GLU 376.A O no hydrogen 3.027 N/A THR 380.A N LEU 377.A O no hydrogen 2.971 N/A THR 380.A OG1 LEU 377.A O no hydrogen 2.591 N/A TYR 381.A N LEU 378.A O no hydrogen 3.211 N/A TYR 381.A OH ILE 335.A O no hydrogen 2.783 N/A SER 383.A N HIS 379.A O no hydrogen 3.310 N/A SER 383.A OG HIS 379.A O no hydrogen 3.408 N/A GLU 384.A N THR 380.A O no hydrogen 2.996 N/A ARG 385.A N TYR 381.A O no hydrogen 2.880 N/A ARG 385.A NE ASP 357.A OD2 no hydrogen 2.748 N/A ARG 385.A NH1 TYR 424.A OH no hydrogen 3.022 N/A ARG 385.A NH2 ASP 357.A OD2 no hydrogen 3.187 N/A GLN 386.A N SER 382.A O no hydrogen 2.855 N/A GLN 386.A NE2 CYS 313.A O no hydrogen 3.097 N/A VAL 388.A N GLU 384.A O no hydrogen 3.229 N/A ALA 389.A N ARG 385.A O no hydrogen 3.236 N/A GLN 390.A N GLN 386.A O no hydrogen 2.926 N/A GLN 390.A NE2 GLN 390.A O no hydrogen 3.016 N/A GLN 391.A N VAL 387.A O no hydrogen 2.877 N/A LEU 392.A N VAL 388.A O no hydrogen 3.033 N/A ILE 393.A N ALA 389.A O no hydrogen 3.063 N/A ASP 394.A N GLN 390.A O no hydrogen 2.828 N/A PHE 395.A N GLN 391.A O no hydrogen 3.012 N/A ASP 396.A N LEU 392.A O no hydrogen 2.931 N/A ARG 397.A N ASP 394.A O no hydrogen 3.235 N/A GLU 398.A N ASP 394.A O no hydrogen 3.393 N/A GLU 398.A N PHE 395.A O no hydrogen 3.215 N/A TRP 399.A N PHE 395.A O no hydrogen 2.790 N/A LYS 401.A N TRP 399.A O no hydrogen 3.155 N/A GLU 405.A N ASP 402.A O no hydrogen 2.812 N/A PHE 406.A N ASP 402.A O no hydrogen 2.858 N/A LYS 408.A N LYS 404.A O no hydrogen 3.288 N/A TYR 409.A N GLU 405.A O no hydrogen 3.067 N/A PHE 410.A N PHE 406.A O no hydrogen 2.768 N/A GLU 411.A N GLN 407.A O no hydrogen 2.822 N/A GLN 412.A N LYS 408.A O no hydrogen 3.011 N/A GLN 412.A NE2 GLN 412.A O no hydrogen 3.211 N/A HIS 413.A N TYR 409.A O no hydrogen 2.858 N/A GLY 414.A N PHE 410.A O no hydrogen 3.094 N/A ARG 415.A N GLU 411.A O no hydrogen 3.170 N/A ARG 415.A NE GLU 127.A OE2 no hydrogen 3.150 N/A PHE 416.A N GLN 412.A O no hydrogen 2.898 N/A THR 417.A N HIS 413.A O no hydrogen 2.770 N/A THR 417.A OG1 HIS 413.A O no hydrogen 3.136 N/A THR 417.A OG1 GLY 414.A O no hydrogen 3.266 N/A ALA 418.A N GLY 414.A O no hydrogen 3.009 N/A GLY 419.A N PHE 416.A O no hydrogen 2.961 N/A VAL 420.A N ARG 415.A O no hydrogen 3.210 N/A TYR 424.A N GLY 445.A O no hydrogen 2.835 N/A SER 427.A N THR 430.A O no hydrogen 2.877 N/A LEU 429.A N SER 427.A OG no hydrogen 3.056 N/A THR 430.A N SER 427.A OG no hydrogen 3.082 N/A GLY 431.A N ALA 593.A O no hydrogen 3.007 N/A LYS 434.A NZ GLN 432.A OE1 no hydrogen 2.904 N/A GLN 436.A N ALA 433.A O no hydrogen 3.070 N/A GLN 436.A NE2 GLN 436.A O no hydrogen 3.223 N/A GLN 436.A NE2 ALA 439.A O no hydrogen 3.020 N/A GLN 436.A NE2 PHE 442.A O no hydrogen 2.911 N/A LEU 438.A N HIS 435.A O no hydrogen 3.048 N/A ALA 439.A N GLN 436.A O no hydrogen 2.999 N/A SER 440.A N GLY 575.A O no hydrogen 3.094 N/A SER 440.A OG GLY 575.A O no hydrogen 3.555 N/A GLY 441.A N ARG 574.A O no hydrogen 2.851 N/A PHE 442.A N ALA 439.A O no hydrogen 3.087 N/A VAL 444.A N GLN 436.A OE1 no hydrogen 2.968 N/A GLY 445.A N VAL 592.A O no hydrogen 2.819 N/A MET 446.A N THR 443.A O no hydrogen 3.142 N/A ARG 447.A NE GLU 83.A OE2 no hydrogen 2.716 N/A ARG 447.A NH1 GLU 83.A OE1 no hydrogen 2.886 N/A ARG 447.A NH1 LEU 130.A O no hydrogen 2.904 N/A PHE 448.A N GLN 590.A O no hydrogen 2.815 N/A SER 450.A OG GLN 463.A OE1 no hydrogen 2.694 N/A VAL 453.A N VAL 462.A O no hydrogen 2.896 N/A VAL 454.A N SER 560.A O no hydrogen 2.737 N/A ARG 455.A N LYS 460.A O no hydrogen 2.864 N/A ARG 455.A NE ASP 458.A OD2 no hydrogen 2.993 N/A ARG 455.A NH2 ASP 458.A OD1 no hydrogen 2.826 N/A VAL 456.A N VAL 558.A O no hydrogen 3.039 N/A CYS 457.A SG TYR 555.A O no hydrogen 3.239 N/A LYS 460.A N ASP 458.A OD2 no hydrogen 3.183 N/A VAL 462.A N VAL 453.A O no hydrogen 2.962 N/A LEU 464.A N ALA 451.A O no hydrogen 2.977 N/A GLY 465.A N SER 450.A OG no hydrogen 2.839 N/A HIS 466.A N GLN 463.A O no hydrogen 2.920 N/A HIS 466.A NE2 GLU 132.A OE1 no hydrogen 2.840 N/A CYS 467.A N LEU 464.A O no hydrogen 3.099 N/A CYS 467.A SG LEU 464.A O no hydrogen 3.254 N/A GLY 468.A N GLY 465.A O no hydrogen 2.989 N/A LYS 469.A NZ GLU 86.A O no hydrogen 3.264 N/A LYS 469.A NZ GLU 86.A OE1 no hydrogen 2.907 N/A LYS 469.A NZ HIS 466.A O no hydrogen 2.875 N/A ALA 470.A N ALA 87.A O no hydrogen 2.892 N/A ASP 471.A N LYS 469.A O no hydrogen 2.804 N/A ARG 473.A N ASP 471.A OD2 no hydrogen 3.066 N/A ARG 473.A NE ASP 471.A OD1 no hydrogen 2.919 N/A ARG 473.A NH1 ASP 471.A OD1 no hydrogen 3.047 N/A ARG 473.A NH2 ASP 518.A O no hydrogen 2.881 N/A ARG 473.A NH2 ASP 518.A OD2 no hydrogen 3.065 N/A TRP 474.A N ILE 520.A O no hydrogen 2.979 N/A ARG 475.A N VAL 586.A O no hydrogen 2.787 N/A ARG 475.A NE ASP 522.A OD1 no hydrogen 2.791 N/A ARG 475.A NH1 ASP 471.A OD1 no hydrogen 2.958 N/A ARG 475.A NH1 ASP 471.A OD2 no hydrogen 3.269 N/A ARG 475.A NH1 ASP 522.A OD1 no hydrogen 3.330 N/A ARG 475.A NH2 LYS 469.A O no hydrogen 3.156 N/A ARG 475.A NH2 ASP 471.A OD2 no hydrogen 2.924 N/A ARG 475.A NH2 ARG 473.A O no hydrogen 2.982 N/A LEU 476.A N ASP 522.A O no hydrogen 2.858 N/A TYR 477.A N VAL 584.A O no hydrogen 2.919 N/A ALA 478.A N ARG 524.A O no hydrogen 2.910 N/A PHE 479.A N ALA 582.A O no hydrogen 2.833 N/A ALA 480.A N VAL 526.A O no hydrogen 2.885 N/A ALA 481.A N ASP 484.A OD1 no hydrogen 2.769 N/A GLN 482.A N ARG 578.A O no hydrogen 2.824 N/A ASP 484.A N ALA 481.A O no hydrogen 3.063 N/A GLN 487.A N ASN 483.A O no hydrogen 2.787 N/A GLU 489.A N GLU 489.A OE1 no hydrogen 2.637 N/A SER 490.A N GLN 487.A O no hydrogen 3.494 N/A LEU 492.A N ASP 484.A OD1 no hydrogen 2.800 N/A LEU 495.A N GLY 491.A O no hydrogen 2.998 N/A CYS 496.A N LEU 492.A O no hydrogen 3.030 N/A CYS 496.A SG LEU 492.A O no hydrogen 3.496 N/A ARG 497.A N LEU 493.A O no hydrogen 3.047 N/A ARG 497.A NH1 PRO 488.A O no hydrogen 2.996 N/A ARG 497.A NH2 PRO 488.A O no hydrogen 2.807 N/A PHE 498.A N ALA 494.A O no hydrogen 2.992 N/A LEU 499.A N LEU 495.A O no hydrogen 2.804 N/A GLU 500.A N CYS 496.A O no hydrogen 2.973 N/A GLY 501.A N ARG 497.A O no hydrogen 2.898 N/A ASP 502.A N PHE 498.A O no hydrogen 2.940 N/A ALA 504.A N ASP 502.A OD2 no hydrogen 2.853 N/A SER 505.A N ASP 502.A O no hydrogen 2.813 N/A SER 505.A OG LEU 499.A O no hydrogen 2.628 N/A LEU 507.A N SER 505.A OG no hydrogen 2.989 N/A ARG 508.A N SER 505.A OG no hydrogen 3.373 N/A ARG 509.A N SER 505.A O no hydrogen 2.862 N/A ARG 509.A NE GLU 609.A OE2 no hydrogen 2.778 N/A ARG 509.A NH1 GLU 609.A OE1 no hydrogen 2.908 N/A ARG 509.A NH1 GLU 609.A OE2 no hydrogen 3.544 N/A PHE 510.A N PRO 506.A O no hydrogen 2.860 N/A THR 511.A N LEU 507.A O no hydrogen 3.257 N/A THR 511.A OG1 LEU 507.A O no hydrogen 2.750 N/A GLN 515.A N PRO 512.A O no hydrogen 3.135 N/A SER 519.A N ASP 516.A O no hydrogen 2.987 N/A SER 519.A OG GLN 515.A OE1 no hydrogen 2.952 N/A SER 519.A OG ASP 516.A O no hydrogen 2.783 N/A ASP 522.A N TRP 474.A O no hydrogen 2.773 N/A ARG 524.A N LEU 476.A O no hydrogen 2.860 N/A ARG 524.A NE ASP 522.A OD1 no hydrogen 3.276 N/A ARG 524.A NE ASP 522.A OD2 no hydrogen 2.752 N/A ARG 524.A NH1 ASP 522.A OD1 no hydrogen 2.852 N/A ARG 524.A NH2 GLU 556.A O no hydrogen 2.748 N/A ALA 525.A N LYS 557.A O no hydrogen 2.742 N/A VAL 526.A N ALA 478.A O no hydrogen 2.774 N/A PHE 527.A N PHE 559.A O no hydrogen 2.800 N/A GLN 529.A NE2 GLN 482.A O no hydrogen 2.927 N/A THR 532.A OG1 GLU 533.A OE1 no hydrogen 2.729 N/A THR 532.A OG1 GLU 533.A OE2 no hydrogen 3.272 N/A GLU 533.A N ALA 530.A O no hydrogen 2.851 N/A VAL 534.A N TYR 531.A O no hydrogen 3.312 N/A GLU 537.A N GLU 537.A OE1 no hydrogen 2.733 N/A THR 538.A N ALA 535.A O no hydrogen 3.005 N/A THR 538.A OG1 ALA 535.A O no hydrogen 2.658 N/A LEU 539.A N LEU 536.A O no hydrogen 3.051 N/A LEU 543.A N PRO 540.A O no hydrogen 2.967 N/A LEU 544.A N ALA 541.A O no hydrogen 3.105 N/A LYS 547.A N MET 552.A O no hydrogen 2.841 N/A LYS 547.A NZ ASP 518.A OD1 no hydrogen 3.459 N/A LYS 547.A NZ ASP 518.A OD2 no hydrogen 2.715 N/A LYS 547.A NZ ASP 554.A OD2 no hydrogen 2.871 N/A GLY 548.A N ASP 516.A OD1 no hydrogen 2.934 N/A GLN 549.A N ASN 6.A OD1 no hydrogen 2.611 N/A ASP 554.A N PRO 545.A O no hydrogen 2.923 N/A GLU 556.A N ASP 554.A OD1 no hydrogen 2.879 N/A LYS 557.A NZ ASP 518.A OD2 no hydrogen 2.811 N/A LYS 557.A NZ ASP 522.A OD2 no hydrogen 2.732 N/A PHE 559.A N ALA 525.A O no hydrogen 2.780 N/A SER 560.A N VAL 454.A O no hydrogen 2.871 N/A SER 560.A OG GLN 529.A O no hydrogen 2.796 N/A LYS 564.A N ASP 562.A OD1 no hydrogen 2.983 N/A ASN 565.A N ASP 562.A OD1 no hydrogen 3.067 N/A ASN 565.A ND2 ASP 562.A OD2 no hydrogen 2.977 N/A GLN 568.A N ASN 565.A O no hydrogen 3.308 N/A PHE 571.A N ASP 569.A OD2 no hydrogen 2.888 N/A GLU 572.A N ASP 569.A O no hydrogen 2.910 N/A LEU 573.A N ASP 569.A O no hydrogen 2.901 N/A ARG 574.A N ILE 570.A O no hydrogen 2.886 N/A ARG 574.A NE HIS 449.A O no hydrogen 2.924 N/A ARG 574.A NH1 LEU 573.A O no hydrogen 3.193 N/A ARG 574.A NH2 SER 450.A O no hydrogen 2.921 N/A GLY 575.A N GLU 572.A O no hydrogen 3.212 N/A ILE 576.A N PHE 571.A O no hydrogen 3.015 N/A ASP 577.A N LEU 438.A O no hydrogen 2.797 N/A ARG 578.A NE GLU 572.A OE1 no hydrogen 3.323 N/A ARG 578.A NH1 ASP 569.A OD1 no hydrogen 2.838 N/A ARG 578.A NH1 GLU 572.A OE1 no hydrogen 2.828 N/A GLN 580.A N ASP 577.A O no hydrogen 3.324 N/A GLN 580.A N ASP 577.A OD1 no hydrogen 3.036 N/A GLY 581.A N ASP 577.A O no hydrogen 2.743 N/A ALA 582.A N PHE 479.A O no hydrogen 2.907 N/A LEU 583.A N LEU 596.A O no hydrogen 2.846 N/A VAL 584.A N TYR 477.A O no hydrogen 2.828 N/A VAL 585.A N GLN 594.A O no hydrogen 2.895 N/A VAL 586.A N ARG 475.A O no hydrogen 2.857 N/A ARG 587.A N TYR 591.A O no hydrogen 2.897 N/A ARG 587.A NE ASP 589.A OD1 no hydrogen 2.974 N/A ARG 587.A NH1 GLU 384.A OE2 no hydrogen 2.891 N/A ARG 587.A NH1 ASP 589.A OD2 no hydrogen 2.852 N/A ARG 587.A NH2 GLU 384.A OE1 no hydrogen 2.890 N/A GLN 590.A N ARG 587.A O no hydrogen 2.922 N/A GLN 590.A NE2 GLU 83.A O no hydrogen 3.610 N/A GLN 590.A NE2 GLY 468.A O no hydrogen 3.299 N/A TYR 591.A N ASP 589.A OD1 no hydrogen 3.310 N/A VAL 592.A N MET 446.A O no hydrogen 2.849 N/A ALA 593.A N VAL 585.A O no hydrogen 2.734 N/A GLN 594.A N VAL 585.A O no hydrogen 3.252 N/A LEU 596.A N LEU 583.A O no hydrogen 2.815 N/A ASP 600.A N PRO 597.A O no hydrogen 3.108 N/A HIS 601.A N GLY 599.A O no hydrogen 2.875 N/A ALA 603.A N ASP 600.A OD2 no hydrogen 3.098 N/A LEU 604.A N ASP 600.A O no hydrogen 3.224 N/A SER 605.A N HIS 601.A O no hydrogen 2.939 N/A SER 605.A OG ALA 504.A O no hydrogen 3.048 N/A SER 605.A OG HIS 601.A O no hydrogen 3.292 N/A ALA 606.A N ALA 602.A O no hydrogen 2.912 N/A TYR 607.A N ALA 603.A O no hydrogen 2.929 N/A TYR 607.A OH LEU 429.A O no hydrogen 2.624 N/A PHE 608.A N LEU 604.A O no hydrogen 3.391 N/A GLU 609.A N SER 605.A O no hydrogen 2.871 N/A SER 610.A N ALA 606.A O no hydrogen 3.107 N/A SER 610.A N TYR 607.A O no hydrogen 3.133 N/A SER 610.A OG TYR 607.A O no hydrogen 2.561 N/A PHE 611.A N PHE 608.A O no hydrogen 3.212 N/A MET 612.A N PHE 608.A O no hydrogen 2.850 N/A ARG 613.A N GLN 372.A O no hydrogen 2.822 N/A