Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sdb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ARG 642.A O no hydrogen 3.382 N/A MET 2.A N GLU 643.A OE1 no hydrogen 3.088 N/A ASN 3.A N GLN 9.A OE1 no hydrogen 3.022 N/A ASN 3.A ND2 ALA 315.A O no hydrogen 3.403 N/A TYR 5.A N ASN 3.A OD1 no hydrogen 3.114 N/A SER 6.A N ASN 3.A O no hydrogen 3.105 N/A SER 6.A OG ALA 315.A O no hydrogen 3.526 N/A TYR 8.A OH GLY 45.A O no hydrogen 2.718 N/A GLN 9.A N SER 6.A OG no hydrogen 2.982 N/A GLN 9.A NE2 ALA 315.A O no hydrogen 3.043 N/A HIS 10.A N ALA 7.A O no hydrogen 3.106 N/A HIS 10.A NE2 PHE 4.A O no hydrogen 2.604 N/A GLY 11.A N TYR 8.A O no hydrogen 3.203 N/A PHE 12.A N ALA 7.A O no hydrogen 3.062 N/A VAL 13.A N VAL 275.A O no hydrogen 2.831 N/A ARG 14.A N TYR 8.A OH no hydrogen 3.389 N/A ARG 14.A NE ASP 274.A OD1 no hydrogen 2.774 N/A ARG 14.A NE ASP 274.A OD2 no hydrogen 3.450 N/A ARG 14.A NH1 ASP 44.A O no hydrogen 2.904 N/A ARG 14.A NH1 ILE 318.A O no hydrogen 3.188 N/A ARG 14.A NH2 ASP 274.A OD2 no hydrogen 2.805 N/A ARG 14.A NH2 ILE 318.A O no hydrogen 2.961 N/A ARG 14.A NH2 GLY 319.A O no hydrogen 3.381 N/A VAL 15.A N ALA 273.A O no hydrogen 2.971 N/A ALA 16.A N LEU 48.A O no hydrogen 2.820 N/A ALA 17.A N SER 271.A O no hydrogen 2.955 N/A CYS 18.A N VAL 50.A O no hydrogen 2.876 N/A THR 19.A N ARG 269.A O no hydrogen 3.029 N/A THR 19.A OG1 ALA 233.A O no hydrogen 2.827 N/A HIS 21.A N SER 33.A OG no hydrogen 2.928 N/A THR 22.A N GLU 236.A O no hydrogen 3.055 N/A THR 23.A N ASN 30.A OD1 no hydrogen 2.762 N/A GLY 25.A N SER 57.A O no hydrogen 2.843 N/A ASP 26.A N THR 23.A O no hydrogen 3.147 N/A ALA 29.A N ASP 26.A OD1 no hydrogen 3.174 N/A ASN 30.A N ASP 26.A O no hydrogen 3.059 N/A ASN 30.A ND2 THR 23.A O no hydrogen 2.963 N/A ASN 30.A ND2 LEU 56.A O no hydrogen 3.070 N/A ALA 31.A N PRO 27.A O no hydrogen 2.869 N/A ALA 32.A N ALA 28.A O no hydrogen 2.982 N/A SER 33.A N ALA 29.A O no hydrogen 3.141 N/A VAL 34.A N ASN 30.A O no hydrogen 2.987 N/A LEU 35.A N ALA 31.A O no hydrogen 2.854 N/A ASP 36.A N ALA 32.A O no hydrogen 3.086 N/A MET 37.A N SER 33.A O no hydrogen 3.026 N/A ALA 38.A N VAL 34.A O no hydrogen 2.769 N/A ARG 39.A N LEU 35.A O no hydrogen 2.870 N/A ALA 40.A N ASP 36.A O no hydrogen 3.204 N/A CYS 41.A N MET 37.A O no hydrogen 2.839 N/A CYS 41.A SG MET 37.A O no hydrogen 3.353 N/A HIS 42.A N ALA 38.A O no hydrogen 2.844 N/A ASP 43.A N ARG 39.A O no hydrogen 2.920 N/A ASP 44.A N ALA 40.A O no hydrogen 3.090 N/A ASP 44.A N CYS 41.A O no hydrogen 3.136 N/A GLY 45.A N HIS 42.A O no hydrogen 2.792 N/A ALA 46.A N CYS 41.A O no hydrogen 3.074 N/A ALA 47.A N ARG 14.A O no hydrogen 2.650 N/A ALA 49.A N VAL 91.A O no hydrogen 2.930 N/A VAL 50.A N ALA 16.A O no hydrogen 2.886 N/A PHE 51.A N VAL 93.A O no hydrogen 3.109 N/A GLU 53.A N SER 202.A O no hydrogen 3.047 N/A THR 55.A OG1 PRO 52.A O no hydrogen 2.545 N/A LEU 56.A N GLY 95.A O no hydrogen 3.024 N/A SER 57.A N LEU 54.A O no hydrogen 3.173 N/A SER 57.A OG LEU 54.A O no hydrogen 3.493 N/A SER 57.A OG GLY 58.A O no hydrogen 2.836 N/A GLY 58.A N LEU 54.A O no hydrogen 3.089 N/A TYR 59.A N GLU 238.A OE2 no hydrogen 2.866 N/A TYR 59.A OH GLU 133.A OE2 no hydrogen 2.428 N/A SER 60.A N GLU 238.A OE1 no hydrogen 3.001 N/A SER 60.A OG GLU 238.A OE1 no hydrogen 2.630 N/A VAL 64.A N ILE 61.A O no hydrogen 2.948 N/A LEU 65.A N GLU 62.A O no hydrogen 3.040 N/A LEU 66.A N ASP 63.A O no hydrogen 3.019 N/A GLN 67.A N VAL 64.A O no hydrogen 3.002 N/A GLN 67.A NE2 ASP 63.A O no hydrogen 3.366 N/A LEU 71.A N GLN 67.A O no hydrogen 3.069 N/A ASP 72.A N ASP 68.A O no hydrogen 2.803 N/A ALA 73.A N SER 69.A O no hydrogen 2.943 N/A VAL 74.A N LEU 70.A O no hydrogen 2.918 N/A GLU 75.A N LEU 71.A O no hydrogen 3.111 N/A ASP 76.A N ASP 72.A O no hydrogen 3.028 N/A ALA 77.A N ALA 73.A O no hydrogen 2.927 N/A LEU 78.A N VAL 74.A O no hydrogen 2.856 N/A LEU 79.A N GLU 75.A O no hydrogen 3.025 N/A ASP 80.A N ASP 76.A O no hydrogen 3.167 N/A LEU 81.A N ALA 77.A O no hydrogen 2.973 N/A VAL 82.A N LEU 78.A O no hydrogen 2.905 N/A THR 83.A N LEU 79.A O no hydrogen 2.886 N/A THR 83.A OG1 LEU 79.A O no hydrogen 3.000 N/A GLU 84.A N ASP 80.A O no hydrogen 2.999 N/A SER 85.A N LEU 81.A O no hydrogen 2.876 N/A SER 85.A OG VAL 82.A O no hydrogen 2.835 N/A ALA 86.A N THR 83.A O no hydrogen 3.131 N/A ASP 87.A N GLU 84.A O no hydrogen 3.129 N/A LEU 88.A N SER 85.A O no hydrogen 2.914 N/A LEU 89.A N HIS 42.A ND1 no hydrogen 2.977 N/A VAL 91.A N ALA 47.A O no hydrogen 2.953 N/A LEU 92.A N ILE 111.A O no hydrogen 2.852 N/A VAL 93.A N ALA 49.A O no hydrogen 2.922 N/A VAL 94.A N VAL 109.A O no hydrogen 3.018 N/A GLY 95.A N THR 55.A OG1 no hydrogen 2.855 N/A ALA 96.A N THR 107.A O no hydrogen 2.943 N/A LEU 98.A N TYR 105.A O no hydrogen 3.111 N/A ARG 99.A NH2 ASP 68.A OD1 no hydrogen 2.808 N/A HIS 100.A N ARG 103.A O no hydrogen 2.886 N/A ARG 103.A N HIS 100.A O no hydrogen 3.177 N/A ARG 103.A NH2 ARG 134.A O no hydrogen 3.216 N/A TYR 105.A N LEU 98.A O no hydrogen 2.843 N/A ASN 106.A ND2 GLU 53.A OE2 no hydrogen 2.622 N/A THR 107.A N ALA 96.A O no hydrogen 2.925 N/A THR 107.A OG1 ALA 96.A O no hydrogen 2.872 N/A ALA 108.A N VAL 120.A O no hydrogen 2.783 N/A VAL 109.A N VAL 94.A O no hydrogen 2.665 N/A VAL 110.A N GLY 118.A O no hydrogen 2.964 N/A ILE 111.A N LEU 92.A O no hydrogen 2.785 N/A HIS 112.A N ALA 115.A O no hydrogen 2.930 N/A ARG 113.A NH1 ALA 86.A O no hydrogen 3.031 N/A GLY 114.A N SER 85.A OG no hydrogen 2.697 N/A ALA 115.A N HIS 112.A O no hydrogen 3.134 N/A LEU 117.A N VAL 110.A O no hydrogen 2.830 N/A VAL 119.A N ALA 155.A O no hydrogen 2.881 N/A VAL 120.A N ALA 108.A O no hydrogen 2.881 N/A LYS 122.A N ASN 106.A O no hydrogen 2.835 N/A LYS 122.A NZ GLU 53.A OE2 no hydrogen 2.619 N/A LYS 122.A NZ GLU 133.A OE1 no hydrogen 2.584 N/A LYS 122.A NZ GLU 133.A OE2 no hydrogen 3.012 N/A SER 123.A N ASP 179.A OD1 no hydrogen 2.985 N/A SER 123.A N ASP 179.A OD2 no hydrogen 3.287 N/A TYR 124.A N ASP 179.A OD1 no hydrogen 3.067 N/A THR 127.A OG1 LEU 125.A O no hydrogen 3.280 N/A TYR 128.A OH GLU 178.A OE1 no hydrogen 3.226 N/A TYR 128.A OH GLU 178.A OE2 no hydrogen 2.577 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.815 N/A PHE 131.A N TYR 128.A O no hydrogen 2.747 N/A GLU 133.A N PRO 126.A O no hydrogen 3.044 N/A ARG 134.A N THR 127.A OG1 no hydrogen 3.168 N/A ARG 135.A N TYR 132.A O no hydrogen 3.082 N/A ARG 135.A NE ASP 63.A OD1 no hydrogen 2.720 N/A ARG 135.A NE ASP 63.A OD2 no hydrogen 3.308 N/A ARG 135.A NH2 ASP 63.A OD2 no hydrogen 2.808 N/A GLN 136.A N GLU 133.A O no hydrogen 3.195 N/A GLN 136.A NE2 GLU 62.A OE1 no hydrogen 2.969 N/A GLN 136.A NE2 ASP 63.A OD1 no hydrogen 2.832 N/A MET 137.A N GLU 133.A O no hydrogen 2.966 N/A ALA 138.A N ILE 104.A O no hydrogen 2.917 N/A GLY 140.A N LYS 122.A O no hydrogen 2.790 N/A GLU 143.A N GLY 140.A O no hydrogen 2.989 N/A ARG 144.A NH1 GLU 143.A O no hydrogen 3.130 N/A ARG 144.A NH1 THR 158.A OG1 no hydrogen 3.290 N/A ILE 147.A N VAL 154.A O no hydrogen 2.774 N/A ARG 148.A NH1 ASP 153.A OD1 no hydrogen 2.739 N/A ILE 149.A N ALA 152.A O no hydrogen 2.898 N/A ALA 152.A N ILE 149.A O no hydrogen 2.956 N/A VAL 154.A N ILE 147.A O no hydrogen 2.862 N/A PHE 156.A N GLY 145.A O no hydrogen 2.897 N/A GLY 157.A N VAL 119.A O no hydrogen 3.059 N/A LEU 161.A N ARG 305.A O no hydrogen 2.774 N/A PHE 162.A N LEU 172.A O no hydrogen 2.981 N/A ALA 163.A N ILE 307.A O no hydrogen 2.884 N/A ALA 164.A N PHE 170.A O no hydrogen 3.110 N/A SER 165.A N PHE 309.A O no hydrogen 2.733 N/A SER 165.A OG PHE 309.A O no hydrogen 3.272 N/A LEU 167.A N ALA 164.A O no hydrogen 3.125 N/A PHE 170.A N LEU 167.A O no hydrogen 2.863 N/A VAL 171.A N THR 196.A OG1 no hydrogen 3.029 N/A LEU 172.A N PHE 162.A O no hydrogen 2.771 N/A HIS 173.A N VAL 197.A O no hydrogen 3.049 N/A GLU 175.A N ALA 199.A O no hydrogen 2.978 N/A ILE 176.A N ASP 179.A OD2 no hydrogen 2.935 N/A ALA 177.A N ASN 200.A OD1 no hydrogen 3.045 N/A ASP 179.A N ILE 176.A O no hydrogen 2.901 N/A MET 180.A N ALA 177.A O no hydrogen 3.022 N/A PHE 181.A N GLU 178.A O no hydrogen 2.940 N/A SER 187.A N GLU 175.A OE1 no hydrogen 2.975 N/A SER 187.A OG GLU 175.A OE1 no hydrogen 3.260 N/A SER 187.A OG GLU 175.A OE2 no hydrogen 2.693 N/A ALA 188.A N PRO 185.A O no hydrogen 3.128 N/A ALA 190.A N PRO 186.A O no hydrogen 3.107 N/A ALA 191.A N SER 187.A O no hydrogen 2.803 N/A LEU 192.A N ALA 188.A O no hydrogen 3.217 N/A ALA 193.A N GLU 189.A O no hydrogen 2.906 N/A GLY 194.A N ALA 190.A O no hydrogen 2.936 N/A GLY 194.A N ALA 191.A O no hydrogen 2.967 N/A ALA 195.A N ALA 190.A O no hydrogen 2.796 N/A THR 196.A N VAL 171.A O no hydrogen 2.775 N/A THR 196.A OG1 GLY 169.A O no hydrogen 2.713 N/A THR 196.A OG1 VAL 171.A O no hydrogen 3.458 N/A VAL 197.A N VAL 171.A O no hydrogen 3.064 N/A LEU 198.A N ALA 228.A O no hydrogen 2.778 N/A ALA 199.A N HIS 173.A O no hydrogen 2.845 N/A ASN 200.A N VAL 230.A O no hydrogen 2.813 N/A ASN 200.A ND2 ALA 177.A O no hydrogen 3.345 N/A ASN 200.A ND2 TYR 229.A OH no hydrogen 2.970 N/A LEU 201.A N GLU 175.A O no hydrogen 3.335 N/A SER 202.A N ALA 232.A O no hydrogen 2.890 N/A SER 202.A OG ASN 200.A OD1 no hydrogen 2.689 N/A SER 202.A OG TYR 231.A OH no hydrogen 3.391 N/A ILE 206.A N ALA 244.A O no hydrogen 2.888 N/A ARG 210.A N THR 207.A O no hydrogen 3.129 N/A ARG 210.A NH1 GLU 130.A OE2 no hydrogen 2.588 N/A ARG 210.A NH1 PRO 205.A O no hydrogen 2.629 N/A ARG 210.A NH2 GLU 130.A OE2 no hydrogen 2.723 N/A ASP 213.A N GLY 209.A O no hydrogen 3.192 N/A ARG 214.A N ARG 210.A O no hydrogen 2.885 N/A ARG 214.A NE SER 204.A OG no hydrogen 2.877 N/A ARG 214.A NH1 ASP 246.A OD1 no hydrogen 2.919 N/A ARG 214.A NH1 ASP 246.A OD2 no hydrogen 3.236 N/A ARG 214.A NH1 GLN 248.A OE1 no hydrogen 2.981 N/A ARG 214.A NH2 SER 204.A O no hydrogen 2.867 N/A ARG 214.A NH2 SER 204.A OG no hydrogen 3.232 N/A ARG 214.A NH2 ASP 246.A OD1 no hydrogen 3.154 N/A ARG 215.A N ALA 211.A O no hydrogen 2.967 N/A ARG 215.A NH1 GLU 260.A OE2 no hydrogen 2.495 N/A LEU 216.A N GLU 212.A O no hydrogen 2.908 N/A LEU 217.A N ASP 213.A O no hydrogen 3.165 N/A ALA 218.A N ARG 214.A O no hydrogen 2.882 N/A ARG 219.A N ARG 215.A O no hydrogen 2.775 N/A ARG 219.A NE GLY 255.A O no hydrogen 3.115 N/A SER 220.A N LEU 216.A O no hydrogen 3.018 N/A SER 220.A OG LEU 216.A O no hydrogen 2.928 N/A SER 220.A OG LEU 217.A O no hydrogen 3.360 N/A ALA 221.A N LEU 217.A O no hydrogen 2.919 N/A SER 222.A N ALA 218.A O no hydrogen 3.014 N/A SER 222.A OG ARG 219.A O no hydrogen 2.707 N/A ALA 223.A N ARG 219.A O no hydrogen 3.007 N/A ARG 224.A N SER 220.A O no hydrogen 2.805 N/A CYS 225.A N ALA 221.A O no hydrogen 2.884 N/A LEU 226.A N ALA 223.A O no hydrogen 3.252 N/A ALA 227.A N SER 222.A O no hydrogen 2.944 N/A ALA 228.A N THR 196.A O no hydrogen 2.954 N/A TYR 229.A N TRP 252.A O no hydrogen 2.860 N/A TYR 229.A OH GLU 175.A OE2 no hydrogen 2.571 N/A VAL 230.A N LEU 198.A O no hydrogen 2.846 N/A TYR 231.A N MET 250.A O no hydrogen 2.910 N/A ALA 232.A N ASN 200.A O no hydrogen 3.187 N/A ALA 233.A N GLN 248.A O no hydrogen 2.903 N/A ALA 234.A N GLY 203.A O no hydrogen 3.367 N/A GLU 238.A N GLY 235.A O no hydrogen 3.380 N/A SER 239.A N SER 60.A OG no hydrogen 2.921 N/A THR 241.A N SER 239.A OG no hydrogen 3.189 N/A THR 241.A OG1 SER 239.A OG no hydrogen 2.644 N/A TRP 245.A NE1 SER 239.A O no hydrogen 2.907 N/A GLY 247.A N ALA 234.A O no hydrogen 2.971 N/A GLN 248.A N ASP 246.A OD1 no hydrogen 3.056 N/A THR 249.A N SER 261.A OG no hydrogen 3.138 N/A THR 249.A OG1 ALA 17.A O no hydrogen 3.537 N/A THR 249.A OG1 SER 261.A OG no hydrogen 2.614 N/A THR 249.A OG1 SER 271.A OG no hydrogen 2.727 N/A MET 250.A N TYR 231.A O no hydrogen 2.931 N/A ILE 251.A N ALA 259.A O no hydrogen 2.848 N/A TRP 252.A N TYR 229.A O no hydrogen 2.841 N/A GLU 253.A N ALA 256.A O no hydrogen 2.799 N/A ASN 254.A N ALA 227.A O no hydrogen 2.866 N/A GLY 255.A N SER 222.A OG no hydrogen 2.712 N/A ALA 256.A N GLU 253.A O no hydrogen 2.829 N/A LEU 258.A N ILE 251.A O no hydrogen 2.723 N/A ALA 259.A N ILE 251.A O no hydrogen 3.352 N/A SER 261.A N THR 249.A O no hydrogen 3.085 N/A SER 261.A OG THR 249.A O no hydrogen 3.535 N/A SER 261.A OG THR 249.A OG1 no hydrogen 2.614 N/A ARG 263.A NE ASP 246.A OD2 no hydrogen 2.714 N/A ARG 263.A NH2 ASP 246.A OD2 no hydrogen 2.811 N/A PHE 264.A N ASP 246.A O no hydrogen 2.827 N/A LYS 266.A NZ GLU 236.A OE2 no hydrogen 2.919 N/A GLY 267.A N GLU 236.A OE1 no hydrogen 3.120 N/A ARG 269.A N THR 19.A O no hydrogen 3.337 N/A ARG 269.A NE GLU 262.A OE1 no hydrogen 3.100 N/A ARG 269.A NH1 LYS 266.A O no hydrogen 2.937 N/A ARG 269.A NH1 VAL 268.A O no hydrogen 2.938 N/A ARG 269.A NH2 GLU 262.A OE1 no hydrogen 2.969 N/A ARG 269.A NH2 LYS 266.A O no hydrogen 2.985 N/A ARG 270.A NH1 ASP 44.A OD2 no hydrogen 3.112 N/A ARG 270.A NH2 ASP 44.A OD2 no hydrogen 2.506 N/A SER 271.A N ALA 17.A O no hydrogen 2.864 N/A SER 271.A OG THR 249.A OG1 no hydrogen 2.727 N/A ALA 273.A N VAL 15.A O no hydrogen 3.108 N/A ASP 274.A N LEU 321.A O no hydrogen 2.929 N/A VAL 275.A N VAL 13.A O no hydrogen 2.856 N/A ASP 276.A N GLU 253.A OE1 no hydrogen 2.862 N/A THR 277.A N GLY 11.A O no hydrogen 3.009 N/A THR 277.A OG1 GLY 11.A O no hydrogen 2.712 N/A GLU 278.A N ASP 276.A OD1 no hydrogen 2.948 N/A LEU 279.A N ASP 276.A OD1 no hydrogen 3.125 N/A LEU 280.A N ASP 276.A O no hydrogen 3.315 N/A ARG 281.A N THR 277.A O no hydrogen 2.940 N/A SER 282.A N GLU 278.A O no hydrogen 2.792 N/A SER 282.A OG GLU 278.A O no hydrogen 2.960 N/A SER 282.A OG TYR 545.A O no hydrogen 2.805 N/A GLU 283.A N LEU 279.A O no hydrogen 3.011 N/A ARG 284.A N LEU 280.A O no hydrogen 3.051 N/A ARG 284.A NE LEU 226.A O no hydrogen 2.958 N/A ARG 284.A NH1 ALA 195.A O no hydrogen 3.188 N/A ARG 284.A NH2 ALA 195.A O no hydrogen 2.807 N/A ARG 284.A NH2 CYS 225.A O no hydrogen 2.858 N/A ARG 284.A NH2 LEU 226.A O no hydrogen 3.172 N/A LEU 285.A N ARG 281.A O no hydrogen 2.869 N/A ARG 286.A N SER 282.A O no hydrogen 3.271 N/A ARG 286.A N GLU 283.A O no hydrogen 3.312 N/A ARG 286.A NH1 SER 282.A O no hydrogen 3.237 N/A MET 287.A N GLU 283.A O no hydrogen 3.023 N/A PHE 290.A N MET 287.A O no hydrogen 2.956 N/A ASP 292.A N GLY 288.A O no hydrogen 2.905 N/A ASN 293.A N THR 289.A O no hydrogen 2.979 N/A ARG 294.A N PHE 290.A O no hydrogen 3.125 N/A ARG 294.A NE ASP 291.A OD1 no hydrogen 2.768 N/A ARG 294.A NH1 GLU 302.A OE1 no hydrogen 3.562 N/A ARG 294.A NH2 ASP 291.A OD1 no hydrogen 3.271 N/A ARG 295.A N ASP 291.A O no hydrogen 2.974 N/A HIS 296.A N ASP 292.A O no hydrogen 2.912 N/A HIS 297.A N ASN 293.A O no hydrogen 3.190 N/A ARG 298.A NH1 GLU 302.A OE1 no hydrogen 2.700 N/A THR 301.A N HIS 297.A O no hydrogen 3.000 N/A THR 301.A OG1 ARG 294.A O no hydrogen 3.555 N/A THR 301.A OG1 HIS 297.A O no hydrogen 2.878 N/A THR 301.A OG1 ARG 298.A O no hydrogen 3.230 N/A GLU 302.A N ARG 298.A O no hydrogen 2.731 N/A SER 303.A OG GLU 299.A O no hydrogen 3.494 N/A SER 303.A OG LEU 300.A O no hydrogen 3.255 N/A ARG 305.A N ASP 159.A O no hydrogen 2.740 N/A ARG 305.A NE ASP 159.A OD2 no hydrogen 3.225 N/A ARG 305.A NH1 GLY 145.A O no hydrogen 2.869 N/A ARG 305.A NH2 PHE 156.A O no hydrogen 2.784 N/A ARG 305.A NH2 ASP 159.A OD1 no hydrogen 2.945 N/A ILE 307.A N LEU 161.A O no hydrogen 2.645 N/A PHE 309.A N ALA 163.A O no hydrogen 2.999 N/A LEU 311.A N ASP 166.A OD1 no hydrogen 2.841 N/A ASP 312.A N ASP 166.A OD2 no hydrogen 2.663 N/A GLY 319.A N ASP 317.A OD1 no hydrogen 2.856 N/A LEU 321.A N ASP 274.A OD2 no hydrogen 2.706 N/A ARG 322.A NH1 GLU 253.A OE1 no hydrogen 2.916 N/A ARG 322.A NH1 ASP 274.A O no hydrogen 2.865 N/A ARG 322.A NH2 GLU 253.A OE2 no hydrogen 2.833 N/A ARG 326.A NH1 ARG 565.A O no hydrogen 2.992 N/A ARG 326.A NH1 ASN 567.A O no hydrogen 3.117 N/A ARG 326.A NH2 ARG 565.A O no hydrogen 2.705 N/A VAL 330.A N PHE 327.A O no hydrogen 2.868 N/A ALA 332.A N GLU 325.A OE1 no hydrogen 3.037 N/A ARG 336.A N ASP 333.A OD2 no hydrogen 2.965 N/A ARG 336.A NE ASP 340.A OD1 no hydrogen 2.649 N/A LEU 337.A N ASP 333.A O no hydrogen 2.792 N/A GLN 338.A N PRO 334.A O no hydrogen 3.011 N/A GLN 339.A N GLN 335.A O no hydrogen 3.210 N/A GLN 339.A NE2 GLU 343.A OE2 no hydrogen 3.048 N/A ASP 340.A N ARG 336.A O no hydrogen 2.955 N/A CYS 341.A N LEU 337.A O no hydrogen 2.944 N/A CYS 341.A SG LEU 337.A O no hydrogen 3.261 N/A CYS 341.A SG HIS 496.A O no hydrogen 3.743 N/A TYR 342.A N GLN 338.A O no hydrogen 2.868 N/A GLU 343.A N GLN 339.A O no hydrogen 2.919 N/A ALA 344.A N ASP 340.A O no hydrogen 2.798 N/A TYR 345.A N CYS 341.A O no hydrogen 2.912 N/A ASN 346.A N TYR 342.A O no hydrogen 3.141 N/A ASN 346.A ND2 TYR 342.A O no hydrogen 2.954 N/A ILE 347.A N GLU 343.A O no hydrogen 2.950 N/A GLN 348.A N ALA 344.A O no hydrogen 2.954 N/A GLN 348.A NE2 VAL 485.A O no hydrogen 2.924 N/A GLN 348.A NE2 ASN 486.A OD1 no hydrogen 2.893 N/A VAL 349.A N TYR 345.A O no hydrogen 2.912 N/A SER 350.A N ASN 346.A O no hydrogen 2.814 N/A SER 350.A OG ASN 346.A O no hydrogen 2.749 N/A SER 350.A OG ILE 347.A O no hydrogen 3.474 N/A GLY 351.A N ILE 347.A O no hydrogen 2.907 N/A LEU 352.A N GLN 348.A O no hydrogen 3.199 N/A GLU 353.A N VAL 349.A O no hydrogen 2.871 N/A GLN 354.A N SER 350.A O no hydrogen 3.172 N/A ARG 355.A N GLY 351.A O no hydrogen 3.208 N/A ARG 355.A NH1 ASN 609.A OD1 no hydrogen 2.875 N/A ARG 355.A NH2 ASN 609.A OD1 no hydrogen 2.918 N/A LEU 356.A N LEU 352.A O no hydrogen 2.882 N/A ARG 357.A N GLU 353.A O no hydrogen 2.899 N/A ARG 357.A NH1 GLU 388.A OE2 no hydrogen 2.922 N/A ARG 357.A NH2 GLN 354.A OE1 no hydrogen 2.911 N/A ALA 358.A N GLN 354.A O no hydrogen 3.051 N/A LEU 359.A N ARG 355.A O no hydrogen 3.164 N/A LEU 359.A N LEU 356.A O no hydrogen 3.223 N/A ASP 360.A N ARG 357.A O no hydrogen 3.003 N/A TYR 361.A N LEU 356.A O no hydrogen 2.844 N/A TYR 361.A OH GLU 388.A OE1 no hydrogen 2.569 N/A LYS 363.A N GLY 455.A O no hydrogen 3.195 N/A VAL 364.A N ASP 394.A O no hydrogen 3.068 N/A VAL 365.A N ILE 457.A O no hydrogen 2.751 N/A ILE 366.A N LEU 396.A O no hydrogen 3.042 N/A VAL 368.A N PHE 398.A O no hydrogen 2.735 N/A SER 369.A N SER 374.A OG no hydrogen 3.198 N/A SER 369.A OG SER 374.A OG no hydrogen 3.291 N/A GLY 371.A N SER 369.A OG no hydrogen 3.036 N/A SER 374.A OG SER 369.A OG no hydrogen 3.291 N/A THR 375.A N GLY 371.A O no hydrogen 3.085 N/A THR 375.A OG1 GLY 370.A O no hydrogen 3.468 N/A THR 375.A OG1 GLY 371.A O no hydrogen 2.612 N/A HIS 376.A N LEU 372.A O no hydrogen 3.068 N/A HIS 376.A NE2 GLN 348.A OE1 no hydrogen 2.859 N/A ALA 377.A N ASP 373.A O no hydrogen 3.028 N/A LEU 378.A N SER 374.A O no hydrogen 3.052 N/A ILE 379.A N THR 375.A O no hydrogen 3.156 N/A VAL 380.A N HIS 376.A O no hydrogen 2.961 N/A ALA 381.A N ALA 377.A O no hydrogen 2.859 N/A THR 382.A N LEU 378.A O no hydrogen 2.890 N/A THR 382.A OG1 LEU 378.A O no hydrogen 2.799 N/A HIS 383.A N ILE 379.A O no hydrogen 2.987 N/A ALA 384.A N VAL 380.A O no hydrogen 2.927 N/A MET 385.A N ALA 381.A O no hydrogen 3.011 N/A ASP 386.A N THR 382.A O no hydrogen 2.968 N/A ARG 387.A N HIS 383.A O no hydrogen 2.894 N/A GLU 388.A N ALA 384.A O no hydrogen 3.105 N/A GLU 388.A N MET 385.A O no hydrogen 3.120 N/A GLY 389.A N ASP 386.A O no hydrogen 2.973 N/A ARG 390.A N MET 385.A O no hydrogen 2.859 N/A ARG 392.A NE ASP 386.A OD1 no hydrogen 3.025 N/A ARG 392.A NH1 LEU 412.A O no hydrogen 2.867 N/A ARG 392.A NH2 ASP 386.A OD2 no hydrogen 2.957 N/A ASP 394.A N PRO 391.A O no hydrogen 3.034 N/A ILE 395.A N ARG 392.A O no hydrogen 3.068 N/A LEU 396.A N VAL 364.A O no hydrogen 2.748 N/A ALA 397.A N THR 415.A O no hydrogen 2.621 N/A PHE 398.A N ILE 366.A O no hydrogen 2.827 N/A ALA 399.A N SER 417.A O no hydrogen 3.156 N/A ASN 404.A ND2 SER 517.A OG no hydrogen 3.119 N/A LYS 407.A N ASN 403.A O no hydrogen 3.358 N/A LYS 407.A NZ ASN 404.A OD1 no hydrogen 2.580 N/A LEU 408.A N ASN 404.A O no hydrogen 2.929 N/A ALA 409.A N ALA 405.A O no hydrogen 2.988 N/A ARG 410.A N ILE 406.A O no hydrogen 2.786 N/A ALA 411.A N LYS 407.A O no hydrogen 2.798 N/A LEU 412.A N LEU 408.A O no hydrogen 2.930 N/A LEU 412.A N ALA 409.A O no hydrogen 3.180 N/A GLY 413.A N ALA 409.A O no hydrogen 3.027 N/A GLY 413.A N ARG 410.A O no hydrogen 3.238 N/A VAL 414.A N ALA 409.A O no hydrogen 3.334 N/A THR 415.A N ILE 395.A O no hydrogen 2.947 N/A THR 415.A OG1 SER 393.A O no hydrogen 2.814 N/A SER 417.A N ALA 397.A O no hydrogen 2.935 N/A ILE 419.A N ALA 399.A O no hydrogen 2.977 N/A ILE 421.A N PRO 401.A O no hydrogen 3.298 N/A GLY 422.A N ASP 420.A OD2 no hydrogen 3.003 N/A THR 424.A OG1 TYR 446.A OH no hydrogen 2.798 N/A ALA 425.A N ILE 421.A O no hydrogen 3.097 N/A ARG 426.A N GLY 422.A O no hydrogen 3.230 N/A LEU 427.A N ASP 423.A O no hydrogen 3.313 N/A MET 428.A N THR 424.A O no hydrogen 2.968 N/A LEU 429.A N ALA 425.A O no hydrogen 2.781 N/A THR 431.A N LEU 427.A O no hydrogen 3.161 N/A THR 431.A N MET 428.A O no hydrogen 2.887 N/A THR 431.A OG1 LEU 427.A O no hydrogen 2.462 N/A ILE 432.A N MET 428.A O no hydrogen 3.208 N/A ASN 437.A N THR 434.A O no hydrogen 2.680 N/A VAL 438.A N THR 434.A O no hydrogen 3.084 N/A GLN 439.A N PHE 435.A O no hydrogen 3.425 N/A GLY 441.A N ASN 437.A O no hydrogen 2.873 N/A LEU 442.A N VAL 438.A O no hydrogen 2.982 N/A ARG 443.A N GLN 439.A O no hydrogen 2.929 N/A ARG 443.A NE LEU 400.A O no hydrogen 2.694 N/A ARG 443.A NH2 LEU 400.A O no hydrogen 2.706 N/A THR 444.A N ALA 440.A O no hydrogen 3.344 N/A THR 444.A OG1 ALA 440.A O no hydrogen 3.312 N/A ASP 445.A N GLY 441.A O no hydrogen 2.777 N/A TYR 446.A N LEU 442.A O no hydrogen 3.114 N/A TYR 446.A OH THR 424.A OG1 no hydrogen 2.798 N/A LEU 447.A N ARG 443.A O no hydrogen 3.020 N/A PHE 448.A N THR 444.A O no hydrogen 2.954 N/A ARG 449.A N ASP 445.A O no hydrogen 2.990 N/A ARG 449.A NE ASP 445.A OD1 no hydrogen 3.491 N/A ARG 449.A NH1 ASN 452.A OD1 no hydrogen 2.885 N/A ILE 450.A N TYR 446.A O no hydrogen 2.796 N/A ALA 451.A N LEU 447.A O no hydrogen 2.914 N/A ASN 452.A N PHE 448.A O no hydrogen 2.911 N/A GLN 453.A N ARG 449.A O no hydrogen 2.941 N/A ARG 454.A N ILE 450.A O no hydrogen 2.744 N/A GLY 456.A N ALA 451.A O no hydrogen 2.836 N/A ILE 457.A N LYS 363.A O no hydrogen 2.946 N/A VAL 458.A N HIS 482.A ND1 no hydrogen 2.966 N/A LEU 459.A N VAL 365.A O no hydrogen 2.917 N/A GLY 460.A N TYR 483.A O no hydrogen 2.969 N/A ASP 463.A N GLU 466.A OE1 no hydrogen 3.162 N/A LEU 464.A N VAL 489.A O no hydrogen 2.931 N/A SER 465.A OG ASP 536.A OD1 no hydrogen 2.563 N/A SER 465.A OG ASP 536.A OD2 no hydrogen 3.256 N/A GLU 466.A N ASP 463.A OD1 no hydrogen 2.935 N/A LEU 467.A N ASP 463.A O no hydrogen 3.118 N/A ALA 468.A N LEU 464.A O no hydrogen 2.857 N/A LEU 469.A N SER 465.A O no hydrogen 3.156 N/A TRP 471.A N GLU 466.A O no hydrogen 2.969 N/A MET 480.A N GLY 477.A O no hydrogen 3.260 N/A MET 480.A N GLN 479.A OE1 no hydrogen 3.081 N/A HIS 482.A N VAL 458.A O no hydrogen 2.712 N/A ASN 484.A N ASN 609.A O no hydrogen 2.853 N/A ASN 484.A ND2 GLY 462.A O no hydrogen 2.770 N/A ASN 486.A N ASN 484.A OD1 no hydrogen 2.715 N/A ASN 486.A ND2 ASP 373.A O no hydrogen 2.863 N/A ASN 486.A ND2 THR 461.A O no hydrogen 3.029 N/A ALA 487.A N ASN 484.A O no hydrogen 3.448 N/A VAL 489.A N ASN 486.A O no hydrogen 2.954 N/A LYS 491.A N SER 465.A OG no hydrogen 2.685 N/A LYS 491.A NZ ASP 463.A OD2 no hydrogen 2.593 N/A LYS 491.A NZ GLU 466.A OE2 no hydrogen 3.155 N/A THR 492.A N ASP 536.A OD2 no hydrogen 2.878 N/A THR 492.A OG1 ASP 536.A OD2 no hydrogen 2.726 N/A LEU 493.A N PRO 490.A O no hydrogen 2.993 N/A ILE 494.A N PRO 490.A O no hydrogen 3.322 N/A ILE 494.A N LYS 491.A O no hydrogen 3.103 N/A HIS 496.A N LEU 493.A O no hydrogen 2.897 N/A LEU 497.A N LEU 493.A O no hydrogen 3.131 N/A ILE 498.A N ILE 494.A O no hydrogen 3.171 N/A ARG 499.A N GLN 495.A O no hydrogen 2.958 N/A TRP 500.A N HIS 496.A O no hydrogen 2.785 N/A TRP 500.A NE1 GLN 338.A OE1 no hydrogen 2.971 N/A VAL 501.A N LEU 497.A O no hydrogen 2.917 N/A ILE 502.A N ILE 498.A O no hydrogen 2.885 N/A SER 503.A N ARG 499.A O no hydrogen 2.915 N/A SER 503.A OG ARG 499.A O no hydrogen 3.138 N/A ALA 504.A N TRP 500.A O no hydrogen 2.776 N/A GLY 505.A N VAL 501.A O no hydrogen 3.131 N/A GLY 508.A N GLY 505.A O no hydrogen 3.234 N/A GLY 512.A N GLY 508.A O no hydrogen 3.128 N/A GLU 513.A N GLU 509.A O no hydrogen 2.844 N/A GLU 513.A OE1 GLU 513.A OE2 no hydrogen 2.598 N/A GLU 513.A OE2 GLU 513.A OE1 no hydrogen 2.598 N/A VAL 514.A N LYS 510.A O no hydrogen 3.160 N/A LEU 515.A N VAL 511.A O no hydrogen 3.007 N/A GLN 516.A N GLY 512.A O no hydrogen 2.909 N/A GLN 516.A NE2 GLN 516.A O no hydrogen 3.514 N/A GLN 516.A NE2 ASP 520.A OD1 no hydrogen 2.997 N/A SER 517.A N GLU 513.A O no hydrogen 2.897 N/A SER 517.A OG ASN 404.A OD1 no hydrogen 3.056 N/A VAL 518.A N VAL 514.A O no hydrogen 2.857 N/A LEU 519.A N LEU 515.A O no hydrogen 2.984 N/A ASP 520.A N GLN 516.A O no hydrogen 2.884 N/A THR 521.A N SER 517.A O no hydrogen 2.855 N/A THR 521.A OG1 SER 517.A O no hydrogen 2.822 N/A GLU 522.A N VAL 518.A O no hydrogen 2.844 N/A ILE 523.A N LEU 519.A O no hydrogen 3.067 N/A LYS 528.A N SER 525.A O no hydrogen 2.996 N/A VAL 529.A N SER 525.A O no hydrogen 3.004 N/A PHE 532.A N GLU 526.A OE2 no hydrogen 2.895 N/A LEU 534.A N PRO 531.A O no hydrogen 3.108 N/A GLN 535.A N PRO 531.A O no hydrogen 3.039 N/A GLN 535.A NE2 VAL 529.A O no hydrogen 2.694 N/A GLN 535.A NE2 TRP 588.A O no hydrogen 3.087 N/A ASP 536.A N PHE 532.A O no hydrogen 2.702 N/A PHE 537.A N ALA 533.A O no hydrogen 3.334 N/A SER 538.A N LEU 534.A O no hydrogen 3.106 N/A SER 538.A OG LEU 534.A O no hydrogen 3.400 N/A LEU 539.A N GLN 535.A O no hydrogen 2.970 N/A PHE 540.A N ASP 536.A O no hydrogen 3.170 N/A GLN 541.A N PHE 537.A O no hydrogen 3.241 N/A GLN 541.A NE2 PHE 537.A O no hydrogen 3.685 N/A VAL 542.A N SER 538.A O no hydrogen 2.953 N/A LEU 543.A N LEU 539.A O no hydrogen 2.801 N/A ARG 544.A N PHE 540.A O no hydrogen 2.868 N/A ARG 544.A NE GLU 283.A OE2 no hydrogen 2.977 N/A ARG 544.A NH1 HIS 615.A O no hydrogen 2.866 N/A ARG 544.A NH2 GLU 283.A OE1 no hydrogen 2.889 N/A ARG 544.A NH2 GLU 283.A OE2 no hydrogen 3.406 N/A TYR 545.A N GLN 541.A O no hydrogen 2.989 N/A GLY 546.A N GLN 541.A O no hydrogen 3.070 N/A GLY 546.A N VAL 542.A O no hydrogen 2.848 N/A ARG 548.A NH1 GLU 278.A OE1 no hydrogen 3.217 N/A ARG 548.A NH1 GLU 278.A OE2 no hydrogen 2.879 N/A ARG 548.A NH2 GLU 278.A OE2 no hydrogen 3.034 N/A SER 550.A N GLN 639.A OE1 no hydrogen 2.844 N/A LYS 551.A NZ HIS 10.A O no hydrogen 2.818 N/A LYS 551.A NZ ASP 276.A OD1 no hydrogen 2.739 N/A LYS 551.A NZ ASP 276.A OD2 no hydrogen 3.277 N/A LYS 551.A NZ GLU 278.A OE1 no hydrogen 2.792 N/A ILE 552.A N ARG 548.A O no hydrogen 3.061 N/A ALA 553.A N PRO 549.A O no hydrogen 2.863 N/A PHE 554.A N SER 550.A O no hydrogen 3.031 N/A LEU 555.A N LYS 551.A O no hydrogen 3.090 N/A ALA 556.A N ILE 552.A O no hydrogen 2.918 N/A TRP 557.A N ALA 553.A O no hydrogen 2.759 N/A HIS 558.A N PHE 554.A O no hydrogen 3.026 N/A ALA 559.A N LEU 555.A O no hydrogen 2.964 N/A TRP 560.A N ALA 556.A O no hydrogen 2.832 N/A TRP 560.A N TRP 557.A O no hydrogen 3.314 N/A TRP 560.A NE1 ARG 326.A O no hydrogen 2.998 N/A ASN 561.A N TRP 557.A O no hydrogen 3.008 N/A ASN 561.A ND2 TRP 557.A O no hydrogen 2.891 N/A GLU 564.A N ASP 562.A OD1 no hydrogen 2.872 N/A GLU 564.A OE1 GLU 564.A O no hydrogen 3.101 N/A GLU 564.A OE1 GLU 564.A OE2 no hydrogen 3.103 N/A GLU 564.A OE2 GLU 564.A OE1 no hydrogen 3.103 N/A ARG 565.A N ASP 562.A O no hydrogen 3.080 N/A TRP 568.A NE1 ALA 563.A O no hydrogen 3.014 N/A SER 575.A OG GLU 576.A OE1 no hydrogen 2.265 N/A GLU 576.A N PRO 573.A O no hydrogen 2.790 N/A ARG 577.A NH1 PHE 572.A O no hydrogen 3.061 N/A TYR 580.A N TRP 560.A O no hydrogen 3.130 N/A SER 581.A N GLU 584.A OE2 no hydrogen 2.817 N/A SER 581.A OG GLU 584.A OE2 no hydrogen 3.317 N/A GLU 584.A N SER 581.A OG no hydrogen 3.083 N/A ILE 585.A N SER 581.A O no hydrogen 3.001 N/A ARG 586.A N LEU 582.A O no hydrogen 2.831 N/A ARG 586.A NE VAL 644.A O no hydrogen 2.960 N/A ARG 586.A NH2 VAL 644.A O no hydrogen 3.319 N/A HIS 587.A N ALA 583.A O no hydrogen 2.947 N/A TRP 588.A N GLU 584.A O no hydrogen 3.046 N/A LEU 589.A N ILE 585.A O no hydrogen 2.946 N/A GLN 590.A N ARG 586.A O no hydrogen 2.947 N/A ILE 591.A N HIS 587.A O no hydrogen 3.262 N/A PHE 592.A N TRP 588.A O no hydrogen 2.811 N/A VAL 593.A N LEU 589.A O no hydrogen 2.958 N/A GLN 594.A N GLN 590.A O no hydrogen 3.192 N/A ARG 595.A N ILE 591.A O no hydrogen 2.916 N/A ARG 595.A NE LEU 469.A O no hydrogen 2.653 N/A ARG 595.A NH2 LEU 469.A O no hydrogen 2.772 N/A PHE 596.A N PHE 592.A O no hydrogen 2.704 N/A TYR 597.A N VAL 593.A O no hydrogen 2.951 N/A SER 598.A N GLN 594.A O no hydrogen 3.177 N/A SER 598.A OG MET 631.A O no hydrogen 2.780 N/A PHE 599.A N GLN 594.A O no hydrogen 3.163 N/A SER 600.A N ARG 595.A O no hydrogen 2.849 N/A SER 600.A OG ALA 468.A O no hydrogen 3.175 N/A SER 600.A OG ARG 595.A O no hydrogen 2.804 N/A SER 600.A OG PHE 596.A O no hydrogen 3.418 N/A LYS 603.A N SER 600.A O no hydrogen 3.077 N/A LYS 603.A NZ GLY 470.A O no hydrogen 2.909 N/A LYS 603.A NZ SER 472.A O no hydrogen 2.758 N/A ARG 604.A N GLN 601.A O no hydrogen 2.969 N/A ARG 604.A NE GLN 601.A OE1 no hydrogen 2.701 N/A ARG 604.A NH1 LEU 467.A O no hydrogen 2.766 N/A ARG 604.A NH1 ALA 468.A O no hydrogen 3.156 N/A ARG 604.A NH2 PHE 596.A O no hydrogen 2.945 N/A ARG 604.A NH2 GLN 601.A OE1 no hydrogen 2.813 N/A SER 605.A N PHE 602.A O no hydrogen 3.331 N/A LYS 612.A NZ ASP 624.A OD2 no hydrogen 2.778 N/A GLY 616.A N SER 614.A OG no hydrogen 2.866 N/A GLY 617.A N SER 614.A O no hydrogen 3.061 N/A ALA 618.A N ASP 624.A OD1 no hydrogen 2.703 N/A ARG 622.A N SER 620.A OG no hydrogen 3.145 N/A ARG 622.A NH1 LEU 607.A O no hydrogen 2.643 N/A ARG 622.A NH2 PRO 608.A O no hydrogen 3.176 N/A GLY 623.A N SER 620.A O no hydrogen 2.868 N/A TRP 625.A N SER 620.A O no hydrogen 3.249 N/A ARG 634.A N SER 632.A OG no hydrogen 3.036 N/A TRP 636.A N ALA 633.A O no hydrogen 3.100 N/A LEU 637.A N ALA 633.A O no hydrogen 3.136 N/A ASP 638.A N ARG 634.A O no hydrogen 2.877 N/A GLN 639.A N ILE 635.A O no hydrogen 3.042 N/A GLN 639.A NE2 SER 550.A OG no hydrogen 2.727 N/A ILE 640.A N TRP 636.A O no hydrogen 3.136 N/A ASP 641.A N LEU 637.A O no hydrogen 3.005 N/A ARG 642.A N ASP 638.A O no hydrogen 2.830 N/A GLU 643.A N GLN 639.A O no hydrogen 2.859 N/A VAL 644.A N ILE 640.A O no hydrogen 3.044 N/A