Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wli_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A N ALA 3.A O no hydrogen 3.044 N/A TYR 6.A OH ASP 11.A OD1 no hydrogen 2.634 N/A TYR 9.A N ASP 22.A OD2 no hydrogen 2.959 N/A TYR 9.A OH LEU 90.A O no hydrogen 2.652 N/A LYS 10.A N VAL 7.A O no hydrogen 3.028 N/A LYS 10.A NZ.B LEU 90.A O no hydrogen 3.393 N/A ASP 11.A N LEU 8.A O no hydrogen 2.927 N/A THR 13.A N ASP 11.A OD2 no hydrogen 2.974 N/A THR 13.A OG1 ASP 11.A OD1 no hydrogen 3.365 N/A THR 13.A OG1 ASP 11.A OD2 no hydrogen 2.727 N/A LYS 14.A N ASP 11.A O no hydrogen 3.129 N/A LYS 14.A NZ HIS 1.A NE2 no hydrogen 3.359 N/A ARG 19.A N PRO 15.A O no hydrogen 3.039 N/A ARG 19.A NE TYR 9.A O no hydrogen 2.880 N/A ARG 19.A NH1 GLU 364.A OE1 no hydrogen 2.919 N/A ARG 19.A NH1 GLU 364.A OE2 no hydrogen 3.482 N/A ARG 19.A NH2 TYR 9.A O no hydrogen 2.974 N/A ARG 19.A NH2 GLU 364.A OE2 no hydrogen 2.827 N/A VAL 20.A N VAL 16.A O no hydrogen 2.877 N/A ALA 21.A N GLU 17.A O no hydrogen 3.054 N/A ASP 22.A N ASP 18.A O no hydrogen 2.945 N/A LEU 23.A N ARG 19.A O no hydrogen 2.988 N/A LEU 24.A N VAL 20.A O no hydrogen 2.851 N/A GLY 25.A N ALA 21.A O no hydrogen 3.072 N/A ARG 26.A N LEU 23.A O no hydrogen 2.952 N/A ARG 26.A NE ASP 22.A OD2 no hydrogen 2.923 N/A ARG 26.A NH2 ASP 22.A OD1 no hydrogen 3.170 N/A ARG 26.A NH2 ASP 22.A OD2 no hydrogen 3.099 N/A MET 27.A N LEU 24.A O no hydrogen 3.170 N/A THR 28.A N GLU 31.A OE1 no hydrogen 2.877 N/A GLU 31.A N THR 28.A OG1 no hydrogen 3.031 N/A LYS 32.A N THR 28.A O no hydrogen 2.923 N/A LYS 32.A NZ ASP 347.A OD1 no hydrogen 2.794 N/A ILE 33.A N LEU 29.A O no hydrogen 2.857 N/A GLY 34.A N ALA 30.A O no hydrogen 2.918 N/A GLN 35.A N GLU 31.A O no hydrogen 3.198 N/A MET 36.A N LYS 32.A O no hydrogen 3.408 N/A MET 36.A N ILE 33.A O no hydrogen 3.037 N/A THR 37.A N GLY 34.A O no hydrogen 3.039 N/A THR 37.A OG1 ILE 33.A O no hydrogen 2.917 N/A GLN 38.A N ILE 319.A O no hydrogen 2.958 N/A GLN 38.A NE2 SER 56.A OG no hydrogen 2.916 N/A ILE 39.A N SER 56.A O no hydrogen 3.000 N/A GLU 40.A N PRO 322.A O no hydrogen 2.883 N/A ARG 41.A N LEU 58.A O no hydrogen 2.970 N/A ARG 41.A NH1 SER 63.A OG no hydrogen 2.922 N/A LEU 42.A N GLU 40.A OE1 no hydrogen 2.817 N/A VAL 43.A N GLU 40.A O no hydrogen 2.998 N/A ALA 44.A N ARG 41.A O no hydrogen 3.126 N/A VAL 48.A N THR 45.A OG1 no hydrogen 3.064 N/A LEU 49.A N THR 45.A O no hydrogen 2.999 N/A ARG 50.A N PRO 46.A O no hydrogen 3.066 N/A ARG 50.A NE.A SER 87.A OG no hydrogen 2.903 N/A ASP 51.A N ASP 47.A O no hydrogen 2.758 N/A ASN 52.A N VAL 48.A O no hydrogen 3.143 N/A ASN 52.A ND2 VAL 48.A O no hydrogen 2.912 N/A PHE 53.A N ARG 50.A O no hydrogen 3.142 N/A ILE 54.A N LEU 49.A O no hydrogen 3.119 N/A SER 56.A OG LEU 57.A O no hydrogen 3.487 N/A SER 56.A OG ILE 95.A O no hydrogen 2.736 N/A LEU 57.A N ILE 95.A O no hydrogen 3.105 N/A LEU 58.A N ILE 39.A O no hydrogen 2.961 N/A SER 59.A N GLY 97.A O no hydrogen 3.191 N/A SER 59.A OG SER 63.A O no hydrogen 2.751 N/A SER 59.A OG TYR 96.A OH no hydrogen 2.716 N/A GLY 60.A N GLU 40.A OE2 no hydrogen 2.749 N/A SER 63.A N GLY 60.A O no hydrogen 2.925 N/A SER 63.A OG GLU 40.A OE1 no hydrogen 3.095 N/A SER 63.A OG GLU 40.A OE2 no hydrogen 3.008 N/A ARG 66.A NE.B GLU 73.A OE2 no hydrogen 2.797 N/A ARG 66.A NH2.A GLU 73.A OE1 no hydrogen 3.308 N/A ARG 66.A NH2.B GLU 73.A OE1 no hydrogen 2.938 N/A ARG 66.A NH2.B GLU 73.A OE2 no hydrogen 3.447 N/A LYS 67.A NZ GLU 437.A OE2 no hydrogen 2.545 N/A ALA 69.A N ARG 66.A O no hydrogen 3.241 N/A THR 70.A N GLU 73.A OE1 no hydrogen 3.053 N/A GLU 73.A N THR 70.A OG1 no hydrogen 3.026 N/A TRP 74.A N THR 70.A O no hydrogen 3.137 N/A GLN 75.A N ALA 71.A O no hydrogen 2.907 N/A ASP 76.A N LYS 72.A O no hydrogen 2.832 N/A MET 77.A N GLU 73.A O no hydrogen 2.988 N/A VAL 78.A N TRP 74.A O no hydrogen 2.928 N/A ASP 79.A N GLN 75.A O no hydrogen 2.799 N/A GLY 80.A N ASP 76.A O no hydrogen 2.905 N/A PHE 81.A N MET 77.A O no hydrogen 3.181 N/A GLN 82.A N VAL 78.A O no hydrogen 2.855 N/A GLN 82.A NE2 MET 94.A O no hydrogen 3.012 N/A GLN 82.A NE2 PRO 366.A O no hydrogen 2.955 N/A LYS 83.A N ASP 79.A O no hydrogen 2.810 N/A LYS 83.A NZ.A LYS 83.A O no hydrogen 2.853 N/A ALA 84.A N GLY 80.A O no hydrogen 3.486 N/A CYS 85.A N PHE 81.A O no hydrogen 3.197 N/A CYS 85.A SG ILE 54.A O no hydrogen 3.973 N/A CYS 85.A SG PHE 81.A O no hydrogen 3.557 N/A MET 86.A N GLN 82.A O no hydrogen 2.825 N/A SER 87.A N ALA 84.A O no hydrogen 3.164 N/A SER 87.A OG ALA 84.A O no hydrogen 2.688 N/A THR 88.A N CYS 85.A O no hydrogen 3.268 N/A THR 88.A OG1 CYS 85.A O no hydrogen 2.963 N/A ARG 89.A NE GLU 31.A OE2 no hydrogen 2.891 N/A ARG 89.A NH2 ARG 26.A O no hydrogen 2.903 N/A ARG 89.A NH2 GLU 31.A OE1 no hydrogen 2.850 N/A ARG 89.A NH2 GLU 31.A OE2 no hydrogen 3.436 N/A GLY 91.A N THR 88.A OG1 no hydrogen 3.002 N/A MET 94.A N GLN 82.A OE1 no hydrogen 2.814 N/A ILE 95.A N GLY 55.A O no hydrogen 3.304 N/A TYR 96.A N GLN 145.A OE1 no hydrogen 2.846 N/A TYR 96.A OH SER 59.A OG no hydrogen 2.716 N/A GLY 97.A N LEU 57.A O no hydrogen 2.862 N/A ILE 98.A N TYR 146.A O no hydrogen 3.068 N/A ALA 100.A N ILE 98.A O no hydrogen 3.009 N/A HIS 102.A ND1 PHE 113.A O no hydrogen 2.923 N/A HIS 102.A NE2 TRP 434.A O no hydrogen 2.732 N/A ASN 105.A ND2 ASP 99.A O no hydrogen 3.203 N/A ASN 105.A ND2 GLY 103.A O no hydrogen 3.056 N/A VAL 107.A N GLN 104.A O no hydrogen 3.080 N/A GLY 109.A N THR 446.A OG1 no hydrogen 2.955 N/A ALA 110.A N VAL 107.A O no hydrogen 3.183 N/A THR 111.A N GLU 138.A OE1 no hydrogen 2.937 N/A THR 111.A OG1 GLU 138.A OE1 no hydrogen 3.542 N/A THR 111.A OG1 GLU 138.A OE2 no hydrogen 2.780 N/A ILE 112.A N SER 552.A OG no hydrogen 3.013 N/A PHE 113.A N HIS 102.A O no hydrogen 2.941 N/A HIS 115.A N LEU 549.A O no hydrogen 3.106 N/A HIS 115.A NE2 GLY 433.A O no hydrogen 2.847 N/A VAL 117.A N TYR 164.A O no hydrogen 2.976 N/A LEU 119.A N HIS 115.A O no hydrogen 3.200 N/A GLY 120.A N ASN 116.A O no hydrogen 2.827 N/A ALA 121.A N VAL 117.A O no hydrogen 3.222 N/A THR 122.A N LEU 119.A O no hydrogen 3.051 N/A THR 122.A OG1 LEU 119.A O no hydrogen 2.727 N/A ARG 123.A N GLY 120.A O no hydrogen 3.168 N/A ARG 123.A NH1 GLY 120.A O no hydrogen 2.956 N/A ARG 123.A NH1 ARG 570.A O no hydrogen 2.923 N/A ARG 123.A NH2 LEU 571.A O no hydrogen 2.961 N/A ASP 124.A N THR 122.A OG1 no hydrogen 3.083 N/A LEU 127.A N ASP 124.A OD1 no hydrogen 3.028 N/A VAL 128.A N ASP 124.A O no hydrogen 3.168 N/A LYS 129.A N PRO 125.A O no hydrogen 2.877 N/A LYS 129.A NZ ASP 187.A OD1 no hydrogen 3.078 N/A LYS 129.A NZ ASP 187.A OD2 no hydrogen 2.872 N/A ARG 130.A N TYR 126.A O no hydrogen 2.974 N/A ARG 130.A NH1 GLU 387.A OE2 no hydrogen 3.050 N/A ARG 130.A NH2 GLU 387.A OE1 no hydrogen 2.788 N/A ARG 130.A NH2 GLU 387.A OE2 no hydrogen 3.554 N/A ILE 131.A N LEU 127.A O no hydrogen 2.898 N/A GLY 132.A N VAL 128.A O no hydrogen 2.897 N/A GLU 133.A N LYS 129.A O no hydrogen 2.903 N/A ALA 134.A N ARG 130.A O no hydrogen 2.924 N/A THR 135.A N ILE 131.A O no hydrogen 2.809 N/A THR 135.A OG1 ILE 131.A O no hydrogen 2.808 N/A ALA 136.A N GLY 132.A O no hydrogen 2.910 N/A LEU 137.A N GLU 133.A O no hydrogen 3.277 N/A GLU 138.A N ALA 134.A O no hydrogen 3.034 N/A VAL 139.A N THR 135.A O no hydrogen 2.861 N/A ARG 140.A N ALA 136.A O no hydrogen 2.899 N/A ARG 140.A NE LYS 204.A O no hydrogen 2.801 N/A ARG 140.A NH2 LYS 204.A O no hydrogen 2.950 N/A ALA 141.A N LEU 137.A O no hydrogen 2.838 N/A THR 142.A N VAL 139.A O no hydrogen 2.976 N/A THR 142.A OG1 GLN 104.A OE1 no hydrogen 2.861 N/A THR 142.A OG1 VAL 139.A O no hydrogen 2.707 N/A GLY 143.A N ARG 140.A O no hydrogen 2.971 N/A ILE 144.A N VAL 139.A O no hydrogen 3.255 N/A GLN 145.A N TYR 96.A O no hydrogen 3.401 N/A TYR 146.A OH THR 252.A OG1 no hydrogen 2.821 N/A ALA 147.A N ALA 206.A O no hydrogen 2.930 N/A PHE 148.A N ILE 98.A O no hydrogen 2.896 N/A ALA 149.A N ALA 147.A O no hydrogen 2.881 N/A CYS 151.A SG GLU 165.A O no hydrogen 3.487 N/A CYS 151.A SG LYS 210.A O no hydrogen 3.965 N/A ILE 152.A N LYS 210.A O no hydrogen 2.818 N/A CYS 155.A N SER 166.A OG no hydrogen 3.078 N/A CYS 155.A SG ASP 157.A O no hydrogen 3.252 N/A ARG 156.A N GLY 216.A O no hydrogen 2.862 N/A ARG 156.A NH2 GLU 169.A O no hydrogen 2.814 N/A ARG 159.A N ASP 157.A OD1 no hydrogen 3.135 N/A ARG 159.A NE ASP 157.A OD1 no hydrogen 2.900 N/A ARG 159.A NE ASP 157.A OD2 no hydrogen 3.387 N/A ARG 159.A NH2 ASP 157.A OD2 no hydrogen 2.664 N/A TRP 160.A N ASP 157.A O no hydrogen 3.105 N/A GLY 161.A N ASP 499.A OD1 no hydrogen 2.835 N/A ARG 162.A NE GLU 165.A OE1 no hydrogen 2.905 N/A ARG 162.A NH2 GLU 165.A OE1 no hydrogen 3.080 N/A CYS 163.A N TRP 160.A O no hydrogen 3.106 N/A TYR 164.A OH TYR 493.A O no hydrogen 2.696 N/A GLU 165.A N ARG 162.A O no hydrogen 2.866 N/A SER 166.A N CYS 163.A O no hydrogen 2.978 N/A SER 166.A OG ALA 153.A O no hydrogen 2.726 N/A SER 166.A OG SER 168.A O no hydrogen 3.111 N/A SER 168.A N SER 166.A OG no hydrogen 3.368 N/A SER 168.A OG ASP 170.A O no hydrogen 3.546 N/A SER 168.A OG PRO 572.A O no hydrogen 2.709 N/A GLU 169.A N PRO 572.A O no hydrogen 3.369 N/A ASP 170.A N SER 168.A OG no hydrogen 2.855 N/A ARG 171.A NE ASN 236.A O no hydrogen 3.064 N/A ARG 171.A NH1 ASN 236.A OD1 no hydrogen 3.308 N/A ARG 172.A N ASP 170.A OD1 no hydrogen 2.876 N/A ARG 172.A NE ASP 170.A OD1 no hydrogen 3.064 N/A ARG 172.A NE ASP 170.A OD2 no hydrogen 3.432 N/A ARG 172.A NH2 ASP 170.A OD2 no hydrogen 2.941 N/A ILE 173.A N ASP 170.A O no hydrogen 2.954 N/A VAL 174.A N ASP 170.A O no hydrogen 3.280 N/A GLN 175.A N ARG 171.A O no hydrogen 2.817 N/A GLN 175.A NE2 ARG 171.A O no hydrogen 3.500 N/A SER 176.A N ARG 172.A O no hydrogen 2.996 N/A SER 176.A OG ILE 173.A O no hydrogen 2.729 N/A MET 177.A N ILE 173.A O no hydrogen 3.042 N/A MET 177.A N VAL 174.A O no hydrogen 3.032 N/A THR 178.A N GLN 175.A O no hydrogen 3.211 N/A THR 178.A OG1 GLN 175.A O no hydrogen 2.679 N/A GLU 179.A N SER 176.A O no hydrogen 3.507 N/A LEU 180.A N MET 177.A O no hydrogen 3.019 N/A ILE 181.A N THR 178.A O no hydrogen 2.920 N/A GLY 183.A N GLU 179.A O no hydrogen 3.299 N/A LEU 184.A N LEU 180.A O no hydrogen 2.863 N/A GLN 185.A N ILE 181.A O no hydrogen 2.841 N/A GLY 186.A N PRO 182.A O no hydrogen 2.822 N/A ASP 191.A N ASP 191.A OD2 no hydrogen 2.587 N/A PHE 192.A N PRO 189.A O no hydrogen 3.224 N/A SER 194.A OG ASP 247.A OD1 no hydrogen 2.611 N/A GLY 195.A N MET 246.A O no hydrogen 2.914 N/A MET 196.A N THR 193.A O no hydrogen 3.068 N/A PHE 198.A N GLY 249.A O no hydrogen 3.010 N/A ALA 200.A N GLN 185.A O no hydrogen 2.814 N/A LYS 204.A N GLY 201.A O no hydrogen 3.052 N/A LYS 204.A NZ GLY 183.A O no hydrogen 2.912 N/A VAL 205.A N LEU 184.A O no hydrogen 2.945 N/A ALA 206.A N GLN 145.A O no hydrogen 2.954 N/A CYS 208.A N ALA 149.A O no hydrogen 2.843 N/A ALA 209.A N THR 252.A O no hydrogen 3.074 N/A LYS 210.A N PRO 150.A O no hydrogen 3.070 N/A LYS 210.A NZ PHE 148.A O no hydrogen 2.741 N/A HIS 211.A N ASP 215.A OD2 no hydrogen 2.964 N/A HIS 211.A ND1 ASP 215.A OD2 no hydrogen 2.774 N/A PHE 212.A N MET 254.A O no hydrogen 2.788 N/A GLY 217.A N GLY 214.A O no hydrogen 3.002 N/A THR 218.A OG1 ILE 222.A O no hydrogen 2.675 N/A VAL 219.A N ASN 226.A O no hydrogen 2.881 N/A GLY 221.A N THR 218.A O no hydrogen 3.022 N/A ILE 222.A N VAL 219.A O no hydrogen 2.972 N/A ASN 223.A N ASP 499.A OD2 no hydrogen 2.860 N/A ASN 225.A N ILE 222.A O no hydrogen 3.209 N/A THR 227.A N SER 259.A O no hydrogen 2.816 N/A THR 227.A OG1 GLY 214.A O no hydrogen 2.706 N/A ILE 229.A N ASN 261.A OD1 no hydrogen 3.179 N/A GLY 233.A N ASN 230.A OD1 no hydrogen 2.925 N/A LEU 234.A N ASN 230.A O no hydrogen 2.923 N/A MET 235.A N ARG 231.A O no hydrogen 2.846 N/A ASN 236.A N GLU 232.A O no hydrogen 2.804 N/A ILE 237.A N GLY 233.A O no hydrogen 2.896 N/A HIS 238.A N LEU 234.A O no hydrogen 2.987 N/A MET 239.A N LEU 234.A O no hydrogen 2.985 N/A TYR 242.A N MET 239.A O no hydrogen 2.878 N/A LYS 243.A N PRO 240.A O no hydrogen 2.929 N/A LYS 243.A NZ.A ASP 247.A OD1 no hydrogen 2.857 N/A LYS 243.A NZ.A ASP 247.A OD2 no hydrogen 3.246 N/A ASN 244.A N PRO 240.A O no hydrogen 3.345 N/A ALA 245.A N ALA 241.A O no hydrogen 2.929 N/A MET 246.A N TYR 242.A O no hydrogen 2.961 N/A ASP 247.A N LYS 243.A O no hydrogen 2.976 N/A LYS 248.A N ASN 244.A O no hydrogen 3.094 N/A LYS 248.A N ALA 245.A O no hydrogen 3.186 N/A LYS 248.A NZ THR 178.A OG1 no hydrogen 2.885 N/A LYS 248.A NZ GLU 179.A OE1 no hydrogen 2.763 N/A GLY 249.A N MET 246.A O no hydrogen 3.055 N/A VAL 250.A N ALA 245.A O no hydrogen 3.053 N/A SER 251.A OG PHE 198.A O no hydrogen 3.223 N/A THR 252.A OG1 TYR 146.A OH no hydrogen 2.821 N/A THR 252.A OG1 ALA 207.A O no hydrogen 2.808 N/A VAL 253.A N PHE 285.A O no hydrogen 3.089 N/A MET 254.A N ALA 209.A O no hydrogen 3.081 N/A ILE 255.A N ILE 287.A O no hydrogen 2.935 N/A SER 256.A N PHE 212.A O no hydrogen 2.904 N/A SER 256.A OG SER 258.A OG no hydrogen 2.647 N/A TYR 257.A OH TRP 290.A O no hydrogen 2.610 N/A SER 258.A N SER 256.A OG no hydrogen 3.036 N/A SER 258.A OG SER 256.A OG no hydrogen 2.647 N/A SER 259.A N ASN 225.A O no hydrogen 3.018 N/A TRP 260.A N VAL 263.A O no hydrogen 2.911 N/A TRP 260.A NE1 ILE 229.A O no hydrogen 2.932 N/A ASN 261.A N THR 227.A O no hydrogen 2.913 N/A ASN 261.A ND2 ILE 229.A O no hydrogen 2.916 N/A GLY 262.A N ASN 226.A OD1 no hydrogen 2.824 N/A VAL 263.A N TRP 260.A O no hydrogen 3.122 N/A LYS 264.A NZ ARG 295.A O no hydrogen 3.021 N/A MET 265.A N SER 258.A O no hydrogen 2.998 N/A ALA 267.A N LYS 264.A O no hydrogen 2.953 N/A ASN 268.A N MET 265.A O no hydrogen 3.133 N/A LEU 271.A N ASN 268.A OD1 no hydrogen 2.922 N/A VAL 272.A N ASN 268.A O no hydrogen 2.941 N/A THR 273.A N GLN 269.A O no hydrogen 2.891 N/A THR 273.A OG1 ALA 314.A O no hydrogen 2.713 N/A GLY 274.A N GLN 269.A O no hydrogen 2.970 N/A LEU 276.A N LEU 271.A O no hydrogen 2.861 N/A LYS 277.A N VAL 272.A O no hydrogen 3.133 N/A LYS 277.A NZ GLY 315.A O no hydrogen 2.856 N/A LYS 277.A NZ ASP 317.A OD1 no hydrogen 2.735 N/A LYS 277.A NZ ASP 317.A OD2 no hydrogen 3.369 N/A LYS 277.A NZ ASP 348.A OD2 no hydrogen 2.991 N/A ASP 278.A N THR 273.A O no hydrogen 2.816 N/A THR 279.A N TYR 275.A O no hydrogen 2.990 N/A THR 279.A OG1 GLY 274.A O no hydrogen 2.818 N/A LEU 280.A N TYR 275.A O no hydrogen 2.876 N/A LYS 281.A NZ ASP 278.A O no hydrogen 2.899 N/A PHE 282.A N LEU 276.A O no hydrogen 3.117 N/A LYS 283.A N GLY 195.A O no hydrogen 2.763 N/A PHE 285.A N SER 251.A O no hydrogen 3.243 N/A VAL 286.A N ASP 317.A OD2 no hydrogen 2.780 N/A ILE 287.A N VAL 253.A O no hydrogen 2.884 N/A SER 288.A N MET 318.A O no hydrogen 2.983 N/A SER 288.A OG ASP 289.A O no hydrogen 2.775 N/A TRP 290.A N ASP 289.A OD1 no hydrogen 2.655 N/A GLU 291.A N MET 320.A O no hydrogen 3.405 N/A GLY 292.A N ASP 289.A O no hydrogen 2.950 N/A ARG 295.A N GLU 291.A O no hydrogen 3.247 N/A ARG 295.A N GLY 292.A O no hydrogen 3.235 N/A ARG 295.A NH1 GLU 224.A OE1 no hydrogen 3.031 N/A ARG 295.A NH2 GLU 291.A OE1.A no hydrogen 3.027 N/A ILE 296.A N ILE 293.A O no hydrogen 3.092 N/A THR 297.A OG1 ASP 294.A O no hydrogen 3.145 N/A THR 297.A OG1 PRO 299.A O no hydrogen 2.791 N/A GLY 301.A N ASP 294.A O no hydrogen 2.850 N/A SER 302.A N PRO 299.A O no hydrogen 3.271 N/A SER 302.A OG PRO 299.A O no hydrogen 2.862 N/A SER 305.A OG HIS 335.A NE2 no hydrogen 3.122 N/A TYR 306.A N ASP 303.A OD1 no hydrogen 3.123 N/A SER 307.A N ASP 303.A O no hydrogen 2.999 N/A SER 307.A OG ILE 293.A O no hydrogen 2.740 N/A SER 307.A OG ASP 303.A O no hydrogen 3.482 N/A VAL 308.A N TYR 304.A O no hydrogen 2.927 N/A LYS 309.A N SER 305.A O no hydrogen 3.083 N/A ALA 310.A N TYR 306.A O no hydrogen 2.716 N/A SER 311.A N SER 307.A O no hydrogen 3.070 N/A SER 311.A OG SER 307.A O no hydrogen 2.836 N/A SER 311.A OG VAL 308.A O no hydrogen 3.230 N/A ILE 312.A N VAL 308.A O no hydrogen 3.060 N/A LEU 313.A N LYS 309.A O no hydrogen 2.916 N/A ALA 314.A N ALA 310.A O no hydrogen 2.917 N/A GLY 315.A N SER 311.A O no hydrogen 3.287 N/A GLY 315.A N ILE 312.A O no hydrogen 3.085 N/A LEU 316.A N SER 311.A O no hydrogen 3.175 N/A ASP 317.A N VAL 286.A O no hydrogen 2.818 N/A MET 318.A N VAL 286.A O no hydrogen 2.935 N/A ILE 319.A N MET 36.A O no hydrogen 2.879 N/A MET 320.A N SER 288.A OG no hydrogen 2.853 N/A VAL 321.A N GLN 38.A O no hydrogen 3.069 N/A TYR 325.A N ASN 323.A O no hydrogen 2.873 N/A PHE 328.A N LYS 324.A O no hydrogen 3.023 N/A ILE 329.A N TYR 325.A O no hydrogen 2.898 N/A SER 330.A N GLN 326.A O no hydrogen 2.908 N/A ILE 331.A N GLN 327.A O no hydrogen 2.896 N/A LEU 332.A N PHE 328.A O no hydrogen 2.971 N/A THR 333.A N ILE 329.A O no hydrogen 2.911 N/A THR 333.A OG1 ILE 329.A O no hydrogen 2.738 N/A GLY 334.A N SER 330.A O no hydrogen 2.893 N/A HIS 335.A N ILE 331.A O no hydrogen 2.946 N/A VAL 336.A N LEU 332.A O no hydrogen 2.980 N/A ASN 337.A N.A THR 333.A O no hydrogen 2.844 N/A ASN 337.A N.B THR 333.A O no hydrogen 2.813 N/A GLY 338.A N GLY 334.A O no hydrogen 2.852 N/A GLY 339.A N VAL 336.A O no hydrogen 3.017 N/A VAL 340.A N HIS 335.A O no hydrogen 2.884 N/A ILE 341.A N HIS 335.A O no hydrogen 3.370 N/A ARG 345.A N PRO 342.A O no hydrogen 3.039 N/A ARG 345.A NH1 ILE 312.A O no hydrogen 2.848 N/A ARG 345.A NH1 LEU 316.A O no hydrogen 2.818 N/A ARG 345.A NH2 ASP 317.A OD1 no hydrogen 2.759 N/A ARG 345.A NH2 ASP 348.A OD2 no hydrogen 2.841 N/A ASP 347.A N MET 343.A O no hydrogen 2.815 N/A ASP 348.A N SER 344.A O no hydrogen 2.999 N/A ALA 349.A N ARG 345.A O no hydrogen 3.011 N/A VAL 350.A N ILE 346.A O no hydrogen 2.952 N/A THR 351.A N ASP 347.A O no hydrogen 2.846 N/A THR 351.A OG1 ASP 347.A O no hydrogen 2.758 N/A ARG 352.A N ASP 348.A O no hydrogen 3.042 N/A ARG 352.A NE ASP 348.A OD1 no hydrogen 3.015 N/A ARG 352.A NE ASP 348.A OD2 no hydrogen 3.228 N/A ARG 352.A NH1 PHE 282.A O no hydrogen 2.799 N/A ARG 352.A NH1 GLY 284.A O no hydrogen 2.871 N/A ARG 352.A NH2 PHE 282.A O no hydrogen 3.163 N/A ILE 353.A N ALA 349.A O no hydrogen 3.048 N/A LEU 354.A N VAL 350.A O no hydrogen 2.827 N/A ARG 355.A N THR 351.A O no hydrogen 2.807 N/A ARG 355.A NE GLU 17.A OE1 no hydrogen 2.783 N/A ARG 355.A NH1 LYS 283.A O no hydrogen 2.909 N/A ARG 355.A NH2 GLU 17.A OE2 no hydrogen 2.864 N/A VAL 356.A N ARG 352.A O no hydrogen 3.113 N/A LYS 357.A N ILE 353.A O no hydrogen 3.038 N/A LYS 357.A NZ GLN 35.A OE1 no hydrogen 2.764 N/A LYS 357.A NZ GLY 55.A O no hydrogen 2.801 N/A LYS 357.A NZ PRO 93.A O no hydrogen 2.789 N/A PHE 358.A N LEU 354.A O no hydrogen 2.767 N/A THR 359.A N ARG 355.A O no hydrogen 2.901 N/A THR 359.A OG1 ARG 355.A O no hydrogen 2.680 N/A MET 360.A N VAL 356.A O no hydrogen 3.002 N/A GLY 361.A N PHE 358.A O no hydrogen 3.080 N/A LEU 362.A N LYS 357.A O no hydrogen 3.057 N/A GLU 364.A N GLY 361.A O no hydrogen 2.989 N/A ASN 365.A N GLY 361.A O no hydrogen 2.892 N/A ALA 368.A N ASP 79.A OD1 no hydrogen 2.825 N/A ALA 371.A N ASP 369.A OD1 no hydrogen 2.955 N/A MET 372.A N ASP 369.A O no hydrogen 2.907 N/A ALA 373.A N PRO 370.A O no hydrogen 3.228 N/A GLN 375.A N MET 372.A O no hydrogen 2.940 N/A LEU 376.A N ALA 373.A O no hydrogen 3.272 N/A GLY 377.A N GLU 138.A OE1 no hydrogen 2.978 N/A LYS 378.A N GLN 375.A O no hydrogen 3.244 N/A LYS 378.A NZ GLN 375.A OE1 no hydrogen 2.802 N/A GLN 379.A NE2 ASP 383.A OD1 no hydrogen 2.956 N/A GLU 380.A N GLU 380.A OE1 no hydrogen 2.782 N/A HIS 381.A N LYS 378.A O no hydrogen 2.891 N/A ARG 382.A N LYS 378.A O no hydrogen 2.997 N/A ARG 382.A NE GLY 377.A O no hydrogen 3.002 N/A ARG 382.A NH1 VAL 447.A O no hydrogen 3.191 N/A ARG 382.A NH1 GLU 553.A OE2 no hydrogen 2.873 N/A ASP 383.A N GLN 379.A O no hydrogen 2.811 N/A LEU 384.A N GLU 380.A O no hydrogen 3.066 N/A ALA 385.A N HIS 381.A O no hydrogen 2.890 N/A ARG 386.A N ARG 382.A O no hydrogen 2.854 N/A ARG 386.A NE ASP 559.A OD2 no hydrogen 2.857 N/A ARG 386.A NH2 ASP 559.A OD1 no hydrogen 2.826 N/A GLU 387.A N ASP 383.A O no hydrogen 2.951 N/A ALA 388.A N LEU 384.A O no hydrogen 2.883 N/A ALA 389.A N ALA 385.A O no hydrogen 2.794 N/A ARG 390.A N ARG 386.A O no hydrogen 3.028 N/A LYS 391.A N GLU 387.A O no hydrogen 2.976 N/A LYS 391.A NZ ASP 124.A OD2 no hydrogen 3.156 N/A LYS 391.A NZ GLU 387.A OE2 no hydrogen 2.810 N/A SER 392.A N ALA 388.A O no hydrogen 2.943 N/A SER 392.A N ALA 389.A O no hydrogen 3.191 N/A SER 392.A OG ALA 389.A O no hydrogen 2.700 N/A LEU 393.A N ARG 390.A O no hydrogen 3.335 N/A VAL 394.A N ALA 546.A O no hydrogen 2.947 N/A LEU 396.A N LEU 544.A O no hydrogen 2.873 N/A LYS 397.A N LEU 544.A O no hydrogen 3.378 N/A LYS 397.A NZ LEU 538.A O no hydrogen 2.663 N/A LYS 397.A NZ SER 541.A O no hydrogen 3.002 N/A GLY 399.A N ASP 542.A O no hydrogen 2.751 N/A LYS 400.A NZ ALA 540.A O no hydrogen 3.444 N/A THR 401.A OG1 THR 403.A OG1 no hydrogen 3.221 N/A THR 401.A OG1 ASP 404.A OD1 no hydrogen 2.777 N/A THR 403.A N THR 401.A OG1 no hydrogen 3.124 N/A THR 403.A OG1 THR 401.A OG1 no hydrogen 3.221 N/A ASP 404.A N THR 401.A O no hydrogen 3.137 N/A LEU 410.A N LEU 561.A O no hydrogen 2.861 N/A LYS 412.A NZ ASP 564.A OD1 no hydrogen 2.834 N/A LYS 412.A NZ ASP 564.A OD2 no hydrogen 3.146 N/A ALA 414.A N THR 463.A OG1 no hydrogen 3.057 N/A LYS 416.A NZ.A GLY 479.A O no hydrogen 2.864 N/A LYS 416.A NZ.B GLY 479.A O no hydrogen 2.868 N/A ILE 417.A N VAL 464.A O no hydrogen 2.861 N/A LEU 418.A N TYR 483.A O no hydrogen 3.124 N/A VAL 419.A N VAL 466.A O no hydrogen 2.835 N/A ALA 420.A N ILE 485.A O no hydrogen 2.912 N/A GLY 421.A N GLU 469.A O no hydrogen 2.839 N/A SER 422.A OG HIS 423.A ND1 no hydrogen 2.808 N/A HIS 423.A N ALA 487.A O no hydrogen 2.951 N/A HIS 423.A ND1 SER 422.A OG no hydrogen 2.808 N/A HIS 423.A NE2 GLU 490.A O no hydrogen 2.792 N/A ALA 424.A N GLY 421.A O no hydrogen 3.186 N/A ASN 426.A ND2 THR 442.A OG1 no hydrogen 2.918 N/A GLY 428.A N GLY 443.A O no hydrogen 2.841 N/A TYR 429.A N ASN 426.A OD1 no hydrogen 2.952 N/A GLN 430.A N ASN 426.A O no hydrogen 3.109 N/A GLN 430.A NE2 THR 449.A O no hydrogen 2.971 N/A GLN 430.A NE2 GLY 551.A O no hydrogen 2.882 N/A CYS 431.A N LEU 427.A O no hydrogen 3.117 N/A CYS 431.A N GLY 428.A O no hydrogen 3.230 N/A CYS 431.A SG LEU 427.A O no hydrogen 3.464 N/A GLY 432.A N GLY 428.A O no hydrogen 2.986 N/A TRP 434.A N TRP 438.A O no hydrogen 2.939 N/A TRP 434.A NE1 GLU 165.A OE1 no hydrogen 3.056 N/A THR 435.A OG1 HIS 102.A NE2 no hydrogen 3.056 N/A THR 435.A OG1 GLY 432.A O no hydrogen 3.005 N/A THR 435.A OG1 GLY 433.A O no hydrogen 3.187 N/A ILE 436.A N ASN 105.A O no hydrogen 2.821 N/A GLU 437.A N THR 435.A O no hydrogen 2.756 N/A TRP 438.A NE1 GLU 495.A OE2 no hydrogen 2.829 N/A GLN 439.A NE2 THR 494.A O no hydrogen 2.974 N/A GLY 440.A N GLU 437.A O no hydrogen 3.127 N/A THR 442.A N ASP 441.A OD1 no hydrogen 2.798 N/A GLY 443.A N ASN 426.A OD1 no hydrogen 2.820 N/A ARG 444.A NH1 GLU 453.A OE1.A no hydrogen 3.235 N/A ARG 444.A NH1 GLU 453.A OE1.B no hydrogen 2.906 N/A ARG 444.A NH2 GLU 453.A OE1.B no hydrogen 3.076 N/A VAL 447.A N THR 446.A OG1 no hydrogen 2.793 N/A THR 449.A N SER 552.A O no hydrogen 2.872 N/A THR 450.A N GLU 453.A OE1.A no hydrogen 2.973 N/A THR 450.A N GLU 453.A OE1.B no hydrogen 2.941 N/A THR 450.A OG1 ASP 425.A OD1 no hydrogen 2.795 N/A THR 450.A OG1 GLU 453.A OE1.B no hydrogen 3.294 N/A LEU 452.A N ALA 424.A O no hydrogen 2.754 N/A GLU 453.A N THR 450.A OG1 no hydrogen 3.154 N/A ALA 454.A N THR 450.A O no hydrogen 2.842 N/A VAL 455.A N ILE 451.A O no hydrogen 2.855 N/A LYS 456.A N LEU 452.A O no hydrogen 3.018 N/A ALA 457.A N GLU 453.A O no hydrogen 2.953 N/A ALA 458.A N VAL 455.A O no hydrogen 2.996 N/A VAL 459.A N VAL 455.A O no hydrogen 3.079 N/A ASP 460.A N LYS 412.A O no hydrogen 2.987 N/A SER 462.A N ASP 460.A OD1 no hydrogen 2.912 N/A SER 462.A OG ASP 460.A OD1 no hydrogen 2.681 N/A THR 463.A N ASP 460.A O no hydrogen 2.959 N/A THR 463.A OG1 LYS 412.A O no hydrogen 2.826 N/A THR 463.A OG1 ALA 414.A O no hydrogen 3.195 N/A THR 463.A OG1 ASP 460.A O no hydrogen 3.570 N/A VAL 464.A N PRO 415.A O no hydrogen 3.084 N/A VAL 466.A N ILE 417.A O no hydrogen 2.948 N/A ALA 468.A N VAL 419.A O no hydrogen 3.030 N/A PHE 475.A N ASP 472.A OD2 no hydrogen 2.986 N/A VAL 476.A N ASP 472.A O no hydrogen 3.209 N/A LYS 477.A N ALA 473.A O no hydrogen 2.953 N/A SER 478.A N GLU 474.A O no hydrogen 3.003 N/A SER 478.A OG.A GLU 474.A O no hydrogen 2.752 N/A SER 478.A OG.B GLU 474.A O no hydrogen 3.220 N/A SER 478.A OG.B PHE 475.A O no hydrogen 3.150 N/A GLY 479.A N VAL 476.A O no hydrogen 3.187 N/A SER 482.A N LYS 416.A O no hydrogen 2.829 N/A TYR 483.A OH PRO 411.A O no hydrogen 2.666 N/A ALA 484.A N ARG 521.A O no hydrogen 2.933 N/A ILE 485.A N LEU 418.A O no hydrogen 2.861 N/A VAL 486.A N ALA 523.A O no hydrogen 2.913 N/A ALA 487.A N ALA 420.A O no hydrogen 2.884 N/A VAL 488.A N VAL 525.A O no hydrogen 3.115 N/A GLU 490.A N ILE 527.A O no hydrogen 2.885 N/A TYR 493.A OH GLU 490.A OE1 no hydrogen 2.730 N/A THR 494.A N GLN 439.A OE1 no hydrogen 2.899 N/A THR 494.A OG1 TYR 164.A OH no hydrogen 3.274 N/A THR 494.A OG1 TRP 438.A O no hydrogen 2.722 N/A THR 496.A OG1 ASN 223.A OD1 no hydrogen 3.003 N/A GLY 498.A N GLU 495.A O no hydrogen 2.984 N/A ASP 499.A N THR 496.A O no hydrogen 2.969 N/A ASN 500.A N ARG 159.A O no hydrogen 2.969 N/A ASN 502.A N ASN 500.A OD1 no hydrogen 2.961 N/A LEU 503.A N ASN 500.A OD1 no hydrogen 2.798 N/A THR 504.A N ASN 502.A OD1 no hydrogen 2.930 N/A THR 504.A OG1 ASN 502.A O no hydrogen 3.098 N/A GLY 509.A N GLU 507.A OE1 no hydrogen 3.033 N/A LEU 510.A N GLU 507.A OE2 no hydrogen 2.780 N/A SER 511.A N GLU 507.A OE1 no hydrogen 2.991 N/A SER 511.A OG GLU 507.A OE1 no hydrogen 3.186 N/A THR 512.A OG1 ASN 470.A OD1.B no hydrogen 2.549 N/A VAL 513.A N GLY 509.A O no hydrogen 2.987 N/A GLN 514.A N LEU 510.A O no hydrogen 2.855 N/A ALA 515.A N SER 511.A O no hydrogen 2.958 N/A VAL 516.A N THR 512.A O no hydrogen 2.882 N/A CYS 517.A N VAL 513.A O no hydrogen 2.853 N/A CYS 517.A SG VAL 513.A O no hydrogen 3.108 N/A GLY 518.A N GLN 514.A O no hydrogen 2.972 N/A GLY 519.A N VAL 516.A O no hydrogen 2.962 N/A VAL 520.A N VAL 516.A O no hydrogen 3.133 N/A CYS 522.A N ASP 542.A OD1 no hydrogen 2.928 N/A CYS 522.A SG ASP 542.A OD1 no hydrogen 3.759 N/A ALA 523.A N ALA 484.A O no hydrogen 2.921 N/A THR 524.A N ALA 543.A O no hydrogen 2.912 N/A THR 524.A OG1 SER 541.A OG no hydrogen 2.749 N/A VAL 525.A N VAL 486.A O no hydrogen 2.775 N/A LEU 526.A N VAL 545.A O no hydrogen 2.843 N/A ILE 527.A N VAL 488.A O no hydrogen 2.861 N/A SER 528.A N TRP 548.A O no hydrogen 3.008 N/A SER 528.A OG ARG 530.A O no hydrogen 2.763 N/A GLY 529.A N GLU 490.A OE1 no hydrogen 2.823 N/A ARG 530.A NE GLU 490.A OE2 no hydrogen 2.983 N/A ARG 530.A NH1 PRO 158.A O no hydrogen 3.077 N/A ARG 530.A NH1 GLY 498.A O no hydrogen 2.982 N/A ARG 530.A NH2 GLU 490.A OE2 no hydrogen 3.076 N/A ARG 530.A NH2 GLY 498.A O no hydrogen 2.950 N/A VAL 533.A N LEU 503.A O no hydrogen 2.806 N/A GLN 535.A N GLN 535.A OE1 no hydrogen 2.813 N/A GLN 535.A NE2 LYS 577.A O no hydrogen 2.839 N/A LEU 538.A N VAL 534.A O no hydrogen 2.882 N/A ALA 539.A N GLN 535.A O no hydrogen 2.848 N/A ALA 540.A N PRO 536.A O no hydrogen 3.294 N/A SER 541.A N LEU 537.A O no hydrogen 3.224 N/A SER 541.A N LEU 538.A O no hydrogen 3.078 N/A SER 541.A OG THR 524.A OG1 no hydrogen 2.749 N/A SER 541.A OG LEU 537.A O no hydrogen 2.781 N/A ALA 543.A N CYS 522.A O no hydrogen 3.118 N/A LEU 544.A N LYS 397.A O no hydrogen 3.010 N/A VAL 545.A N THR 524.A O no hydrogen 2.838 N/A ALA 546.A N VAL 394.A O no hydrogen 2.837 N/A ALA 547.A N LEU 526.A O no hydrogen 2.928 N/A GLY 551.A N GLN 430.A O no hydrogen 3.149 N/A SER 552.A N ILE 112.A O no hydrogen 2.931 N/A SER 552.A OG ILE 112.A O no hydrogen 3.314 N/A SER 552.A OG GLU 553.A OE2 no hydrogen 2.714 N/A GLY 554.A N THR 449.A O no hydrogen 2.883 N/A GLY 556.A N GLU 553.A O no hydrogen 3.001 N/A VAL 557.A N GLY 554.A O no hydrogen 2.981 N/A THR 558.A OG1 GLN 555.A O no hydrogen 3.237 N/A ASP 559.A N GLN 555.A O no hydrogen 2.871 N/A ALA 560.A N VAL 557.A O no hydrogen 3.276 N/A LEU 561.A N VAL 557.A O no hydrogen 3.033 N/A PHE 562.A N THR 558.A O no hydrogen 2.969 N/A GLY 563.A N ALA 560.A O no hydrogen 3.120 N/A PHE 565.A N ASP 559.A O no hydrogen 3.160 N/A PHE 567.A N THR 603.A OG1 no hydrogen 2.969 N/A ARG 570.A N ALA 121.A O no hydrogen 3.073 N/A LEU 571.A N TYR 599.A O no hydrogen 2.848 N/A ARG 573.A NH1 CYS 155.A O no hydrogen 2.869 N/A ARG 573.A NH2 CYS 155.A O no hydrogen 3.032 N/A THR 574.A N GLU 169.A OE1 no hydrogen 2.843 N/A THR 574.A OG1 GLU 169.A OE1 no hydrogen 3.565 N/A THR 574.A OG1 GLU 169.A OE2 no hydrogen 2.649 N/A THR 574.A OG1 TYR 591.A OH no hydrogen 2.668 N/A TRP 575.A N PHE 595.A O no hydrogen 2.910 N/A TRP 575.A NE1 VAL 532.A O no hydrogen 2.844 N/A LYS 577.A N GLN 581.A OE1 no hydrogen 2.720 N/A LYS 577.A NZ ASP 592.A OD1 no hydrogen 2.845 N/A LYS 577.A NZ ASP 592.A OD2 no hydrogen 3.391 N/A SER 578.A N GLN 581.A OE1 no hydrogen 3.017 N/A SER 578.A OG.A ASP 580.A OD1.B no hydrogen 2.320 N/A SER 578.A OG.B ASP 580.A OD1.B no hydrogen 2.195 N/A ASP 580.A N SER 578.A OG.A no hydrogen 3.151 N/A GLN 581.A N SER 578.A O no hydrogen 3.042 N/A GLN 581.A NE2 ASP 592.A O no hydrogen 2.928 N/A LEU 582.A N.A VAL 579.A O no hydrogen 3.070 N/A LEU 582.A N.B VAL 579.A O no hydrogen 3.072 N/A ASN 585.A N ASP 588.A OD1 no hydrogen 2.916 N/A ASN 585.A ND2 ARG 156.A O no hydrogen 3.078 N/A ASP 588.A N ASN 585.A O no hydrogen 2.996 N/A HIS 590.A NE2 GLN 581.A O no hydrogen 2.861 N/A HIS 590.A NE2 PRO 583.A O no hydrogen 3.007 N/A TYR 591.A N ASP 588.A O no hydrogen 3.055 N/A TYR 591.A OH THR 574.A OG1 no hydrogen 2.668 N/A LEU 594.A N TRP 575.A O no hydrogen 2.831 N/A PHE 595.A N TRP 575.A O no hydrogen 3.235 N/A LEU 597.A N TYR 591.A OH no hydrogen 3.416 N/A GLY 598.A N LEU 571.A O no hydrogen 2.846 N/A TYR 599.A N ARG 596.A O no hydrogen 3.039 N/A LEU 601.A N LEU 395.A O no hydrogen 2.936 N/A THR 606.A N GLY 563.A O no hydrogen 2.707 N/A THR 606.A OG1 GLY 563.A O no hydrogen 3.463 N/A