Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a0p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N PHE 253.A O no hydrogen 3.109 N/A LEU 5.A N ILE 16.A O no hydrogen 2.657 N/A LEU 6.A N LEU 251.A O no hydrogen 2.739 N/A PHE 7.A N ARG 14.A O no hydrogen 2.920 N/A SER 8.A N ASP 249.A O no hydrogen 3.073 N/A SER 8.A OG SER 36.A O no hydrogen 2.726 N/A ARG 9.A N ASP 12.A O no hydrogen 3.057 N/A ARG 9.A NE ASP 245.A O no hydrogen 2.905 N/A ARG 9.A NE ASP 245.A OD1 no hydrogen 3.044 N/A ARG 9.A NH2 ASP 245.A OD1 no hydrogen 2.680 N/A ARG 10.A NH1 ASP 245.A O no hydrogen 3.355 N/A ARG 10.A NH1 ASP 245.A OD1 no hydrogen 3.269 N/A ARG 10.A NH2 ASP 245.A OD1 no hydrogen 3.201 N/A ARG 10.A NH2 ASP 245.A OD2 no hydrogen 2.977 N/A ASP 12.A N ARG 9.A O no hydrogen 3.063 N/A ARG 14.A N PHE 7.A O no hydrogen 2.854 N/A ARG 14.A NH1 ASN 24.A OD1 no hydrogen 2.918 N/A ARG 15.A N VAL 25.A O no hydrogen 2.681 N/A ILE 16.A N LEU 5.A O no hydrogen 2.726 N/A SER 17.A N ASN 23.A O no hydrogen 3.337 N/A SER 17.A OG GLU 2.A OE2 no hydrogen 2.409 N/A LEU 18.A N ALA 3.A O no hydrogen 3.411 N/A GLU 19.A N SER 17.A OG no hydrogen 3.322 N/A THR 20.A N SER 17.A OG no hydrogen 3.303 N/A ASN 23.A N THR 20.A O no hydrogen 3.247 N/A ASN 24.A ND2 GLN 241.A OE1 no hydrogen 2.362 N/A VAL 25.A N ARG 15.A O no hydrogen 3.004 N/A ILE 27.A N ILE 13.A O no hydrogen 2.826 N/A LEU 29.A N ILE 27.A O no hydrogen 2.825 N/A LYS 33.A N ASP 51.A OD2 no hydrogen 2.889 N/A GLU 34.A N ASP 51.A OD1 no hydrogen 3.280 N/A GLU 34.A N ASP 51.A OD2 no hydrogen 3.188 N/A ALA 35.A N ARG 10.A O no hydrogen 2.998 N/A SER 36.A N THR 50.A O no hydrogen 2.881 N/A SER 36.A OG GLU 34.A O no hydrogen 3.383 N/A ALA 37.A N THR 50.A OG1 no hydrogen 3.051 N/A LEU 38.A N ASP 249.A OD2 no hydrogen 2.797 N/A ASP 39.A N TYR 48.A O no hydrogen 2.909 N/A PHE 40.A N ASP 39.A OD1 no hydrogen 2.701 N/A ASP 41.A N ARG 46.A O no hydrogen 3.046 N/A VAL 42.A N GLN 258.A OE1 no hydrogen 2.721 N/A THR 43.A N ASP 41.A OD1 no hydrogen 3.166 N/A ASN 45.A N ASP 41.A O no hydrogen 3.027 N/A ARG 46.A N ASP 44.A OD1 no hydrogen 3.228 N/A ARG 46.A NH1 ASP 44.A OD2 no hydrogen 2.809 N/A ILE 47.A N ALA 60.A O no hydrogen 2.759 N/A TYR 48.A N ASP 39.A O no hydrogen 2.738 N/A TRP 49.A N SER 58.A O no hydrogen 2.954 N/A THR 50.A N ALA 37.A O no hydrogen 2.915 N/A THR 50.A OG1 PRO 78.A O no hydrogen 2.780 N/A ASP 51.A N THR 56.A O no hydrogen 2.888 N/A ILE 52.A N SER 36.A OG no hydrogen 3.370 N/A SER 53.A N ASP 51.A OD1 no hydrogen 3.111 N/A SER 53.A OG GLU 34.A OE1 no hydrogen 2.686 N/A LEU 54.A N ASP 51.A OD1 no hydrogen 2.887 N/A LYS 55.A NZ ILE 52.A O no hydrogen 2.544 N/A LYS 55.A NZ ASP 76.A O no hydrogen 3.113 N/A THR 56.A N ASP 51.A O no hydrogen 3.199 N/A ILE 57.A N VAL 71.A O no hydrogen 2.771 N/A SER 58.A N TRP 49.A O no hydrogen 2.811 N/A SER 58.A OG HIS 69.A ND1 no hydrogen 2.747 N/A ARG 59.A N GLU 68.A O no hydrogen 2.927 N/A ARG 59.A NE GLU 68.A OE2 no hydrogen 2.744 N/A ARG 59.A NH1 TYR 48.A OH no hydrogen 3.046 N/A ARG 59.A NH2 GLU 68.A OE2 no hydrogen 2.799 N/A ALA 60.A N ILE 47.A O no hydrogen 3.074 N/A PHE 61.A N SER 65.A O no hydrogen 3.024 N/A GLY 64.A N PHE 61.A O no hydrogen 2.827 N/A SER 65.A N ASN 63.A OD1 no hydrogen 3.028 N/A SER 65.A OG ASN 63.A OD1 no hydrogen 3.142 N/A GLU 68.A N ARG 59.A O no hydrogen 2.934 N/A HIS 69.A ND1 SER 58.A OG no hydrogen 2.747 N/A VAL 70.A N ILE 57.A O no hydrogen 2.898 N/A VAL 71.A N ILE 57.A O no hydrogen 3.126 N/A ASP 76.A N ASP 94.A OD2 no hydrogen 2.771 N/A TYR 77.A N ASP 94.A OD1 no hydrogen 2.908 N/A GLU 79.A N TYR 77.A O no hydrogen 2.833 N/A GLY 80.A N ALA 93.A O no hydrogen 3.354 N/A ALA 82.A N TYR 91.A O no hydrogen 2.880 N/A VAL 83.A N ASP 39.A OD2 no hydrogen 2.970 N/A ASP 84.A N ASN 89.A O no hydrogen 2.773 N/A TRP 85.A NE1 SER 259.A O no hydrogen 2.822 N/A LEU 86.A N ASP 84.A OD1 no hydrogen 3.006 N/A GLY 87.A N ASP 84.A OD1 no hydrogen 2.937 N/A LYS 88.A NZ ASP 41.A OD2 no hydrogen 2.789 N/A ASN 89.A N ASP 84.A O no hydrogen 3.083 N/A ASN 89.A ND2 SER 103.A O no hydrogen 3.666 N/A LEU 90.A N SER 103.A O no hydrogen 2.740 N/A TYR 91.A N ALA 82.A O no hydrogen 2.825 N/A TYR 91.A OH MET 149.A O no hydrogen 2.673 N/A TRP 92.A N GLU 101.A O no hydrogen 3.057 N/A TRP 92.A NE1 GLU 101.A OE2 no hydrogen 3.065 N/A ALA 93.A N GLY 80.A O no hydrogen 2.853 N/A ASP 94.A N ARG 99.A O no hydrogen 2.858 N/A THR 95.A N TYR 77.A O no hydrogen 2.901 N/A THR 95.A OG1 TYR 77.A O no hydrogen 3.459 N/A THR 95.A OG1 PRO 121.A O no hydrogen 2.976 N/A GLY 96.A N ASP 94.A OD1 no hydrogen 2.819 N/A THR 97.A N ASP 94.A OD1 no hydrogen 2.966 N/A ARG 99.A N ASP 94.A O no hydrogen 3.358 N/A ARG 99.A NH1 ASP 327.A O no hydrogen 2.928 N/A ARG 99.A NH2 ASP 327.A O no hydrogen 3.032 N/A ARG 99.A NH2 ASP 327.A OD1 no hydrogen 3.289 N/A ILE 100.A N VAL 114.A O no hydrogen 2.905 N/A GLU 101.A N TRP 92.A O no hydrogen 2.858 N/A VAL 102.A N GLN 111.A O no hydrogen 2.859 N/A SER 103.A N LEU 90.A O no hydrogen 2.910 N/A SER 103.A OG LYS 104.A O no hydrogen 2.754 N/A LYS 104.A N GLN 108.A O no hydrogen 2.846 N/A LYS 104.A NZ GLY 87.A O no hydrogen 3.368 N/A LYS 104.A NZ LYS 88.A O no hydrogen 3.488 N/A LYS 104.A NZ ASN 268.A OD1 no hydrogen 3.068 N/A GLY 107.A N LYS 104.A O no hydrogen 2.894 N/A GLN 108.A N ASP 106.A OD1 no hydrogen 3.197 N/A GLN 108.A NE2 ASP 106.A OD2 no hydrogen 2.756 N/A ARG 110.A NE GLU 101.A OE1 no hydrogen 2.912 N/A ARG 110.A NH1 PHE 73.A O no hydrogen 2.706 N/A ARG 110.A NH2 PHE 73.A O no hydrogen 3.358 N/A ARG 110.A NH2 GLY 74.A O no hydrogen 3.294 N/A ARG 110.A NH2 GLU 101.A OE1 no hydrogen 3.397 N/A ARG 110.A NH2 GLU 101.A OE2 no hydrogen 2.893 N/A GLN 111.A N VAL 102.A O no hydrogen 2.756 N/A GLN 111.A NE2 CYS 287.A O no hydrogen 2.833 N/A VAL 112.A N GLN 111.A OE1 no hydrogen 2.821 N/A LEU 113.A N ILE 100.A O no hydrogen 2.823 N/A VAL 114.A N ILE 100.A O no hydrogen 3.182 N/A LYS 116.A NZ GLN 323.A O no hydrogen 2.927 N/A SER 120.A N ASN 98.A OD1 no hydrogen 2.929 N/A SER 120.A OG ASP 119.A OD1 no hydrogen 3.152 N/A ARG 122.A N THR 136.A O no hydrogen 2.893 N/A ARG 122.A NH1 GLU 79.A OE1 no hydrogen 3.003 N/A ALA 123.A N THR 136.A OG1 no hydrogen 3.241 N/A ALA 125.A N TYR 134.A O no hydrogen 2.805 N/A ASP 127.A N PHE 132.A O no hydrogen 2.900 N/A GLU 130.A N ASP 127.A O no hydrogen 3.064 N/A GLY 131.A N ASP 127.A O no hydrogen 2.800 N/A PHE 132.A N ASP 127.A O no hydrogen 3.396 N/A MET 133.A N ALA 147.A O no hydrogen 2.733 N/A TYR 134.A N ALA 125.A O no hydrogen 2.893 N/A TRP 135.A N ASP 145.A O no hydrogen 3.047 N/A TRP 135.A NE1 GLU 137.A OE2 no hydrogen 3.068 N/A THR 136.A N ALA 123.A O no hydrogen 3.073 N/A THR 136.A OG1 ALA 164.A O no hydrogen 2.849 N/A GLU 137.A N LYS 143.A O no hydrogen 2.790 N/A TRP 138.A N SER 120.A O no hydrogen 3.099 N/A TRP 138.A NE1 ALA 164.A O no hydrogen 2.829 N/A GLY 140.A N ASP 119.A OD2 no hydrogen 3.286 N/A LYS 143.A N GLU 137.A O no hydrogen 3.141 N/A LYS 143.A NZ GLU 137.A OE1 no hydrogen 3.346 N/A ILE 144.A N VAL 158.A O no hydrogen 2.934 N/A ASP 145.A N TRP 135.A O no hydrogen 2.779 N/A ARG 146.A N THR 155.A O no hydrogen 2.897 N/A ALA 147.A N MET 133.A O no hydrogen 2.918 N/A ALA 148.A N SER 152.A O no hydrogen 2.888 N/A MET 149.A N GLY 131.A O no hydrogen 3.044 N/A GLY 151.A N ALA 148.A O no hydrogen 2.877 N/A SER 152.A N ASP 150.A OD1 no hydrogen 3.012 N/A SER 152.A OG ASP 150.A OD1 no hydrogen 2.434 N/A SER 152.A OG ASP 150.A OD2 no hydrogen 3.409 N/A ARG 154.A NE ASP 145.A OD2 no hydrogen 2.869 N/A ARG 154.A NH1 LYS 116.A O no hydrogen 2.765 N/A ARG 154.A NH1 ASP 117.A O no hydrogen 3.002 N/A ARG 154.A NH2 ASP 117.A O no hydrogen 2.817 N/A ARG 154.A NH2 GLU 137.A OE2 no hydrogen 2.879 N/A ARG 154.A NH2 ASP 145.A OD2 no hydrogen 3.183 N/A THR 155.A N ARG 146.A O no hydrogen 2.870 N/A THR 156.A OG1 ASP 145.A OD1 no hydrogen 3.363 N/A LEU 157.A N ILE 144.A O no hydrogen 2.798 N/A VAL 158.A N ILE 144.A O no hydrogen 3.020 N/A GLY 162.A N ASP 180.A OD2 no hydrogen 2.869 N/A ARG 163.A N ASP 182.A OD2 no hydrogen 2.713 N/A ARG 163.A NE ASP 182.A OD1 no hydrogen 3.181 N/A ARG 163.A NE ASP 182.A OD2 no hydrogen 3.471 N/A ARG 163.A NH2 ASP 182.A OD1 no hydrogen 3.110 N/A ASN 165.A N THR 179.A O no hydrogen 3.167 N/A ASN 165.A ND2 PHE 207.A O no hydrogen 2.799 N/A THR 168.A N TYR 177.A O no hydrogen 2.832 N/A THR 168.A OG1 GLY 166.A O no hydrogen 2.810 N/A THR 168.A OG1 LEU 209.A O no hydrogen 3.199 N/A ASP 170.A N ARG 175.A O no hydrogen 2.806 N/A TYR 171.A OH LEU 126.A O no hydrogen 2.715 N/A LYS 173.A N ASP 170.A OD1 no hydrogen 3.188 N/A ARG 174.A N ASP 170.A O no hydrogen 2.769 N/A ARG 174.A NH1 TYR 171.A O no hydrogen 2.739 N/A ARG 174.A NH2 ASP 127.A OD2 no hydrogen 2.689 N/A ARG 175.A N ASP 170.A O no hydrogen 3.306 N/A ARG 175.A NE SER 188.A OG no hydrogen 2.941 N/A ARG 175.A NH1 ASN 195.A OD1 no hydrogen 2.823 N/A ARG 175.A NH2 SER 188.A OG no hydrogen 3.048 N/A ARG 175.A NH2 ASN 195.A O no hydrogen 2.795 N/A LEU 176.A N SER 189.A O no hydrogen 2.855 N/A TYR 177.A N THR 168.A O no hydrogen 2.671 N/A TRP 178.A N GLU 187.A O no hydrogen 3.027 N/A TRP 178.A NE1 GLU 187.A OE2 no hydrogen 3.094 N/A THR 179.A N ASN 165.A O no hydrogen 2.878 N/A THR 179.A OG1 ASN 165.A O no hydrogen 3.219 N/A THR 179.A OG1 PRO 206.A O no hydrogen 2.705 N/A ASP 180.A N LEU 185.A O no hydrogen 2.792 N/A LEU 181.A N ARG 163.A O no hydrogen 2.854 N/A ASP 182.A N ASP 180.A OD1 no hydrogen 2.921 N/A THR 183.A N ASP 180.A OD1 no hydrogen 2.971 N/A ASN 184.A N ASP 180.A O no hydrogen 2.956 N/A LEU 185.A N ASP 180.A O no hydrogen 3.259 N/A ILE 186.A N ALA 200.A O no hydrogen 2.874 N/A GLU 187.A N TRP 178.A O no hydrogen 3.003 N/A SER 188.A N GLU 197.A O no hydrogen 2.860 N/A SER 189.A N LEU 176.A O no hydrogen 2.869 N/A SER 189.A OG ASN 190.A O no hydrogen 2.797 N/A ASN 190.A N LEU 194.A O no hydrogen 2.926 N/A LEU 192.A N ASN 190.A OD1 no hydrogen 2.998 N/A GLY 193.A N ASN 190.A O no hydrogen 3.024 N/A LEU 194.A N ASN 190.A OD1 no hydrogen 3.031 N/A ARG 196.A NE GLU 187.A OE1 no hydrogen 2.990 N/A ARG 196.A NH1 ASN 160.A O no hydrogen 2.819 N/A ARG 196.A NH2 ASN 160.A O no hydrogen 3.006 N/A ARG 196.A NH2 GLU 187.A OE1 no hydrogen 3.275 N/A ARG 196.A NH2 GLU 187.A OE2 no hydrogen 2.944 N/A GLU 197.A N SER 188.A O no hydrogen 2.791 N/A ILE 199.A N ILE 186.A O no hydrogen 2.849 N/A ALA 200.A N ILE 186.A O no hydrogen 3.381 N/A LEU 203.A N ASN 184.A O no hydrogen 3.040 N/A HIS 205.A N ASP 220.A OD2 no hydrogen 2.882 N/A PHE 207.A N THR 219.A O no hydrogen 2.835 N/A GLY 208.A N THR 219.A O no hydrogen 3.454 N/A THR 210.A N TYR 217.A O no hydrogen 2.819 N/A GLN 211.A N THR 210.A OG1 no hydrogen 2.819 N/A GLN 211.A NE2 GLN 213.A O no hydrogen 2.750 N/A TYR 212.A N TYR 215.A O no hydrogen 2.930 N/A TYR 215.A N TYR 212.A O no hydrogen 3.007 N/A ILE 216.A N ALA 229.A O no hydrogen 2.835 N/A TYR 217.A N THR 210.A O no hydrogen 2.820 N/A TRP 218.A N GLU 227.A O no hydrogen 2.922 N/A THR 219.A N GLY 208.A O no hydrogen 3.168 N/A THR 219.A OG1 SER 225.A O no hydrogen 2.768 N/A TRP 221.A N HIS 205.A O no hydrogen 3.053 N/A TRP 221.A NE1 VAL 247.A O no hydrogen 2.896 N/A SER 222.A N ASP 220.A OD1 no hydrogen 2.765 N/A SER 222.A OG ASP 220.A OD1 no hydrogen 2.478 N/A ARG 223.A N ASP 220.A O no hydrogen 3.170 N/A ARG 223.A NH1 GLU 227.A OE2 no hydrogen 2.784 N/A ARG 224.A N ASP 220.A O no hydrogen 2.950 N/A ILE 226.A N GLN 241.A O no hydrogen 2.862 N/A GLU 227.A N TRP 218.A O no hydrogen 2.808 N/A ARG 228.A N THR 238.A O no hydrogen 2.913 N/A ALA 229.A N ILE 216.A O no hydrogen 2.962 N/A ASN 230.A N GLN 235.A O no hydrogen 2.844 N/A ASN 230.A ND2 ASN 236.A OD1 no hydrogen 3.467 N/A LYS 231.A N ASP 214.A O no hydrogen 2.838 N/A LYS 231.A NZ ASP 170.A OD2 no hydrogen 2.671 N/A LYS 231.A NZ GLN 213.A O no hydrogen 2.787 N/A THR 232.A N ASN 230.A OD1 no hydrogen 2.985 N/A THR 232.A OG1 ASN 230.A OD1 no hydrogen 2.775 N/A SER 233.A N ASN 230.A OD1 no hydrogen 3.219 N/A SER 233.A OG GLN 235.A OE1 no hydrogen 3.167 N/A GLY 234.A N ASN 230.A O no hydrogen 2.794 N/A GLN 235.A N SER 233.A OG no hydrogen 2.986 N/A THR 238.A N ARG 228.A O no hydrogen 2.947 N/A ILE 240.A N ILE 226.A O no hydrogen 2.809 N/A GLN 241.A N ILE 226.A O no hydrogen 3.341 N/A LEU 244.A N ARG 224.A O no hydrogen 2.765 N/A MET 248.A N SER 8.A O no hydrogen 2.820 N/A ILE 250.A N ASP 249.A OD1 no hydrogen 2.949 N/A LEU 251.A N LEU 6.A O no hydrogen 2.842 N/A PHE 253.A N PHE 4.A O no hydrogen 2.706 N/A HIS 254.A ND1 SER 256.A OG no hydrogen 2.709 N/A HIS 254.A NE2 PRO 1.A O no hydrogen 2.912 N/A SER 256.A N HIS 254.A ND1 no hydrogen 3.153 N/A SER 256.A OG HIS 254.A ND1 no hydrogen 2.709 N/A ARG 257.A N HIS 254.A O no hydrogen 3.102 N/A ARG 257.A NH1 ILE 169.A O no hydrogen 2.880 N/A ARG 257.A NH2 ILE 169.A O no hydrogen 3.561 N/A GLN 258.A N SER 255.A O no hydrogen 3.007 N/A GLN 258.A NE2 PHE 40.A O no hydrogen 2.823 N/A ASN 262.A ND2 PRO 128.A O no hydrogen 2.957 N/A GLU 263.A N GLY 281.A O no hydrogen 3.079 N/A CYS 264.A N ASN 262.A OD1 no hydrogen 3.266 N/A ALA 265.A N ASN 262.A O no hydrogen 3.087 N/A SER 267.A N CYS 264.A O no hydrogen 3.483 N/A ASN 268.A ND2 CYS 271.A O no hydrogen 3.168 N/A ASN 268.A ND2 HIS 273.A O no hydrogen 3.075 N/A GLY 269.A N CYS 264.A O no hydrogen 2.852 N/A HIS 270.A N SER 267.A O no hydrogen 2.838 N/A CYS 271.A N ASN 268.A O no hydrogen 2.899 N/A CYS 271.A SG GLY 269.A O no hydrogen 3.898 N/A SER 272.A N ARG 298.A O no hydrogen 2.844 N/A SER 272.A OG HIS 273.A ND1 no hydrogen 2.620 N/A SER 272.A OG ARG 298.A O no hydrogen 3.315 N/A HIS 273.A ND1 SER 272.A OG no hydrogen 2.620 N/A LEU 274.A N GLY 286.A O no hydrogen 3.168 N/A LEU 276.A N VAL 284.A O no hydrogen 2.873 N/A VAL 278.A N GLY 282.A O no hydrogen 3.053 N/A GLY 282.A N VAL 278.A O no hydrogen 3.055 N/A VAL 284.A N LEU 276.A O no hydrogen 2.790 N/A CYS 285.A SG ASN 297.A O no hydrogen 3.337 N/A GLY 286.A N LEU 274.A O no hydrogen 2.787 N/A ALA 289.A N ARG 110.A O no hydrogen 2.876 N/A HIS 290.A NE2 PRO 326.A O no hydrogen 2.765 N/A TYR 291.A N PRO 288.A O no hydrogen 2.979 N/A SER 292.A N SER 301.A O no hydrogen 2.865 N/A ASN 294.A N THR 299.A O no hydrogen 2.826 N/A ASN 294.A ND2 THR 299.A OG1 no hydrogen 2.650 N/A ASN 297.A N ASN 294.A O no hydrogen 2.962 N/A ARG 298.A N ASP 296.A OD1 no hydrogen 2.825 N/A THR 299.A N ASP 296.A OD1 no hydrogen 2.995 N/A THR 299.A OG1 ASP 296.A OD1 no hydrogen 3.443 N/A THR 299.A OG1 ASP 296.A OD2 no hydrogen 3.096 N/A CYS 300.A N SER 272.A OG no hydrogen 3.164 N/A CYS 300.A SG HIS 273.A ND1 no hydrogen 3.669 N/A CYS 300.A SG GLY 286.A O no hydrogen 3.392 N/A SER 301.A N SER 292.A O no hydrogen 2.829 N/A SER 301.A OG ASN 294.A OD1 no hydrogen 2.719 N/A THR 305.A OG1 VAL 557.A O no hydrogen 2.744 N/A PHE 306.A N VAL 557.A O no hydrogen 3.180 N/A LEU 307.A N MET 318.A O no hydrogen 2.853 N/A LEU 308.A N HIS 555.A O no hydrogen 2.810 N/A PHE 309.A N ASN 316.A O no hydrogen 2.923 N/A SER 310.A N ASP 553.A O no hydrogen 2.822 N/A SER 310.A OG SER 552.A OG no hydrogen 2.692 N/A SER 310.A OG ASP 553.A O no hydrogen 3.448 N/A GLN 311.A N ALA 314.A O no hydrogen 2.688 N/A GLN 311.A NE2 ALA 549.A O no hydrogen 2.917 N/A LYS 312.A N GLN 550.A O no hydrogen 2.953 N/A LYS 312.A NZ ARG 336.A O no hydrogen 3.530 N/A ALA 314.A N GLN 311.A O no hydrogen 3.490 N/A ASN 316.A N PHE 309.A O no hydrogen 2.736 N/A ASN 316.A ND2 PHE 309.A O no hydrogen 3.166 N/A ASN 316.A ND2 GLN 311.A OE1 no hydrogen 2.893 N/A ARG 317.A N ILE 328.A O no hydrogen 2.914 N/A ARG 317.A NE HIS 290.A ND1 no hydrogen 3.049 N/A ARG 317.A NH1 GLU 365.A OE2 no hydrogen 2.830 N/A ARG 317.A NH2 HIS 290.A ND1 no hydrogen 3.373 N/A MET 318.A N LEU 307.A O no hydrogen 2.788 N/A GLN 324.A N ASP 321.A O no hydrogen 3.122 N/A SER 325.A N ASP 321.A OD1 no hydrogen 2.859 N/A SER 325.A OG ASP 321.A OD2 no hydrogen 2.653 N/A ILE 328.A N ARG 317.A O no hydrogen 2.994 N/A LEU 330.A N ILE 315.A O no hydrogen 2.830 N/A ILE 332.A N LEU 330.A O no hydrogen 2.815 N/A ARG 336.A N ASP 354.A OD2 no hydrogen 3.015 N/A ASN 337.A N ASP 354.A OD2 no hydrogen 3.107 N/A VAL 338.A N LYS 312.A O no hydrogen 2.785 N/A ARG 339.A N ILE 353.A O no hydrogen 2.962 N/A ILE 341.A N ASP 553.A OD2 no hydrogen 2.972 N/A ASP 342.A N TYR 351.A O no hydrogen 2.883 N/A TYR 343.A N ASP 342.A OD1 no hydrogen 2.718 N/A TYR 343.A OH GLU 365.A OE1 no hydrogen 2.759 N/A ASP 344.A N GLN 349.A O no hydrogen 2.870 N/A LEU 346.A N ASP 344.A OD1 no hydrogen 3.124 N/A ASP 347.A N ASP 344.A OD2 no hydrogen 3.221 N/A LYS 348.A NZ PRO 345.A O no hydrogen 2.739 N/A GLN 349.A N ASP 344.A O no hydrogen 3.154 N/A LEU 350.A N ALA 363.A O no hydrogen 2.738 N/A TYR 351.A N ASP 342.A O no hydrogen 2.897 N/A TRP 352.A N ARG 361.A O no hydrogen 2.916 N/A ILE 353.A N ALA 340.A O no hydrogen 2.929 N/A ASP 354.A N MET 359.A O no hydrogen 2.984 N/A SER 355.A N ASN 337.A O no hydrogen 2.821 N/A SER 355.A OG ASN 337.A O no hydrogen 3.388 N/A ARG 356.A N ASP 354.A OD1 no hydrogen 3.064 N/A GLN 357.A N ASP 354.A OD1 no hydrogen 3.187 N/A MET 359.A N ASP 354.A O no hydrogen 3.225 N/A ILE 360.A N VAL 374.A O no hydrogen 2.915 N/A ARG 361.A N TRP 352.A O no hydrogen 2.972 N/A ARG 361.A NE THR 372.A OG1 no hydrogen 3.190 N/A LYS 362.A N PHE 371.A O no hydrogen 2.742 N/A LYS 362.A NZ TYR 351.A OH no hydrogen 3.267 N/A LYS 362.A NZ LEU 406.A O no hydrogen 2.900 N/A ALA 363.A N LEU 350.A O no hydrogen 2.941 N/A GLN 364.A N SER 368.A O no hydrogen 2.941 N/A GLN 364.A NE2 ASP 347.A O no hydrogen 3.659 N/A GLY 367.A N GLN 364.A O no hydrogen 2.831 N/A SER 368.A N ASP 366.A OD1 no hydrogen 3.240 N/A SER 368.A OG ASP 366.A OD1 no hydrogen 2.780 N/A PHE 371.A N LYS 362.A O no hydrogen 2.756 N/A VAL 373.A N ILE 360.A O no hydrogen 2.728 N/A VAL 374.A N ILE 360.A O no hydrogen 3.193 N/A GLN 378.A NE2 GLU 396.A OE1 no hydrogen 3.240 N/A TYR 380.A N THR 394.A O no hydrogen 2.838 N/A ASP 381.A N THR 394.A OG1 no hydrogen 3.120 N/A LEU 382.A N ASP 381.A OD1 no hydrogen 2.880 N/A SER 383.A N TYR 392.A O no hydrogen 2.705 N/A ILE 384.A N ASP 342.A OD2 no hydrogen 2.875 N/A ASP 385.A N TYR 390.A O no hydrogen 2.826 N/A TYR 387.A N ASP 385.A OD1 no hydrogen 2.987 N/A TYR 387.A OH GLU 430.A OE2 no hydrogen 2.726 N/A SER 388.A N ASP 385.A OD1 no hydrogen 2.935 N/A SER 388.A OG TYR 390.A OH no hydrogen 3.362 N/A SER 388.A OG ASN 574.A OD1 no hydrogen 3.228 N/A SER 388.A OG CYS 581.A O no hydrogen 3.193 N/A ARG 389.A N ASP 385.A O no hydrogen 2.981 N/A ARG 389.A NH1 ASP 344.A OD1 no hydrogen 2.921 N/A ARG 389.A NH1 ASP 344.A OD2 no hydrogen 3.490 N/A ARG 389.A NH1 ILE 386.A O no hydrogen 2.934 N/A ARG 389.A NH2 ASP 344.A OD2 no hydrogen 2.706 N/A TYR 390.A N ASP 385.A O no hydrogen 3.390 N/A ILE 391.A N THR 404.A O no hydrogen 2.740 N/A TYR 392.A N SER 383.A O no hydrogen 2.778 N/A TYR 392.A OH LEU 451.A O no hydrogen 2.699 N/A TRP 393.A N ASN 402.A O no hydrogen 2.928 N/A TRP 393.A NE1 THR 404.A OG1 no hydrogen 2.861 N/A THR 394.A N ASP 381.A O no hydrogen 3.033 N/A THR 394.A OG1 ASP 381.A O no hydrogen 3.538 N/A THR 394.A OG1 ARG 423.A O no hydrogen 2.625 N/A CYS 395.A N VAL 400.A O no hydrogen 3.046 N/A CYS 395.A SG THR 398.A OG1 no hydrogen 3.287 N/A GLU 396.A N GLN 378.A O no hydrogen 2.810 N/A ASN 399.A N CYS 395.A O no hydrogen 2.863 N/A ILE 401.A N LEU 415.A O no hydrogen 3.010 N/A ASN 402.A N TRP 393.A O no hydrogen 2.860 N/A VAL 403.A N GLY 412.A O no hydrogen 2.840 N/A THR 404.A N ILE 391.A O no hydrogen 3.004 N/A ARG 405.A N ARG 409.A O no hydrogen 2.779 N/A ARG 405.A NH1 ARG 409.A O no hydrogen 3.406 N/A ARG 405.A NH1 SER 410.A O no hydrogen 2.994 N/A ARG 405.A NH2 SER 578.A O no hydrogen 2.894 N/A LEU 406.A N ARG 389.A O no hydrogen 3.334 N/A GLY 408.A N ARG 405.A O no hydrogen 2.865 N/A ARG 409.A N ASP 407.A OD1 no hydrogen 3.104 N/A VAL 411.A N VAL 403.A O no hydrogen 2.747 N/A GLY 412.A N VAL 403.A O no hydrogen 3.016 N/A VAL 414.A N ILE 401.A O no hydrogen 2.983 N/A ASP 420.A N GLY 417.A O no hydrogen 2.996 N/A ARG 421.A N ASN 438.A OD1 no hydrogen 2.724 N/A ARG 421.A NH1 GLU 418.A O no hydrogen 2.980 N/A ARG 421.A NH1 ASP 420.A O no hydrogen 2.841 N/A ARG 423.A N THR 437.A O no hydrogen 2.965 N/A ARG 423.A NH1 ASN 399.A OD1 no hydrogen 2.774 N/A ARG 423.A NH1 PRO 422.A O no hydrogen 2.701 N/A ARG 423.A NH2 ASN 399.A OD1 no hydrogen 2.803 N/A ALA 424.A N THR 437.A OG1 no hydrogen 3.000 N/A VAL 425.A N ASP 381.A OD2 no hydrogen 2.980 N/A VAL 426.A N TYR 435.A O no hydrogen 2.872 N/A VAL 427.A N SER 383.A OG no hydrogen 2.954 N/A ASN 428.A N TYR 433.A O no hydrogen 2.767 N/A GLU 430.A N GLU 430.A OE1 no hydrogen 2.772 N/A LYS 431.A N ASN 428.A O no hydrogen 3.025 N/A GLY 432.A N ASN 428.A O no hydrogen 2.971 N/A TYR 433.A N ASN 428.A O no hydrogen 3.394 N/A MET 434.A N ALA 449.A O no hydrogen 2.796 N/A TYR 435.A N VAL 426.A O no hydrogen 2.853 N/A TYR 435.A OH LEU 494.A O no hydrogen 3.208 N/A PHE 436.A N GLU 447.A O no hydrogen 2.994 N/A THR 437.A N ALA 424.A O no hydrogen 2.971 N/A ASN 438.A N LYS 445.A O no hydrogen 2.755 N/A ASN 438.A ND2 ASP 420.A OD1 no hydrogen 3.208 N/A ASN 438.A ND2 GLU 447.A OE2 no hydrogen 2.837 N/A LEU 439.A N ARG 421.A O no hydrogen 2.945 N/A GLN 440.A NE2 ASP 420.A OD1 no hydrogen 3.159 N/A SER 443.A N GLN 440.A O no hydrogen 3.014 N/A LYS 445.A N ASN 438.A O no hydrogen 2.888 N/A LYS 445.A NZ GLN 440.A OE1 no hydrogen 2.666 N/A LYS 445.A NZ SER 443.A O no hydrogen 2.686 N/A LYS 445.A NZ SER 443.A OG no hydrogen 2.597 N/A ILE 446.A N PHE 460.A O no hydrogen 2.917 N/A GLU 447.A N PHE 436.A O no hydrogen 2.866 N/A ARG 448.A N GLU 457.A O no hydrogen 2.874 N/A ARG 448.A NE GLU 457.A OE2 no hydrogen 2.838 N/A ARG 448.A NH1 TYR 435.A OH no hydrogen 3.178 N/A ARG 448.A NH2 GLU 457.A OE2 no hydrogen 3.077 N/A ALA 449.A N MET 434.A O no hydrogen 2.982 N/A ALA 450.A N THR 454.A O no hydrogen 2.815 N/A LEU 451.A N GLY 432.A O no hydrogen 2.914 N/A GLY 453.A N ALA 450.A O no hydrogen 2.871 N/A THR 454.A N ASP 452.A OD1 no hydrogen 3.019 N/A THR 454.A OG1 ASP 452.A OD1 no hydrogen 2.587 N/A ARG 456.A NE GLU 447.A OE1 no hydrogen 3.495 N/A ARG 456.A NH1 ASP 420.A OD2 no hydrogen 2.707 N/A ARG 456.A NH2 ASP 420.A OD1 no hydrogen 3.271 N/A ARG 456.A NH2 GLU 447.A OE1 no hydrogen 3.011 N/A ARG 456.A NH2 GLU 447.A OE2 no hydrogen 3.321 N/A GLU 457.A N ARG 448.A O no hydrogen 2.834 N/A LEU 459.A N ILE 446.A O no hydrogen 2.850 N/A PHE 460.A N ILE 446.A O no hydrogen 3.054 N/A SER 465.A N ASP 483.A OD2 no hydrogen 2.749 N/A SER 465.A OG ASP 485.A OD2 no hydrogen 2.579 N/A LYS 466.A N ASP 483.A OD1 no hydrogen 2.958 N/A LYS 466.A N ASP 483.A OD2 no hydrogen 3.310 N/A ILE 468.A N ALA 482.A O no hydrogen 2.840 N/A ALA 471.A N PHE 480.A O no hydrogen 2.833 N/A ASP 473.A N LYS 478.A O no hydrogen 2.979 N/A SER 474.A OG ASN 428.A OD1 no hydrogen 3.200 N/A ARG 475.A NH2 GLU 517.A O no hydrogen 3.439 N/A ARG 475.A NH2 ASN 518.A OD1 no hydrogen 2.780 N/A LEU 476.A N ASP 473.A OD2 no hydrogen 2.814 N/A GLY 477.A N SER 474.A O no hydrogen 3.253 N/A LYS 478.A N ASP 473.A O no hydrogen 3.229 N/A LEU 479.A N SER 492.A O no hydrogen 2.795 N/A PHE 480.A N ALA 471.A O no hydrogen 2.757 N/A TRP 481.A N GLU 490.A O no hydrogen 3.058 N/A TRP 481.A NE1 GLU 490.A OE2 no hydrogen 3.044 N/A ALA 482.A N ALA 469.A O no hydrogen 3.163 N/A ASP 483.A N ARG 488.A O no hydrogen 2.898 N/A SER 484.A N LYS 466.A O no hydrogen 2.973 N/A SER 484.A OG LYS 466.A O no hydrogen 3.477 N/A ASP 485.A N ASP 483.A OD1 no hydrogen 3.005 N/A LEU 486.A N ASP 483.A OD1 no hydrogen 2.993 N/A ARG 488.A N ASP 483.A O no hydrogen 3.231 N/A ARG 488.A NH2 GLY 463.A O no hydrogen 2.886 N/A ILE 489.A N GLU 503.A O no hydrogen 2.834 N/A GLU 490.A N TRP 481.A O no hydrogen 2.894 N/A SER 491.A N ILE 500.A O no hydrogen 2.919 N/A SER 491.A OG LEU 479.A O no hydrogen 2.960 N/A SER 492.A N LEU 479.A O no hydrogen 3.003 N/A SER 492.A OG ASP 493.A O no hydrogen 2.787 N/A ASP 493.A N ALA 497.A O no hydrogen 2.849 N/A LEU 494.A N GLY 477.A O no hydrogen 2.951 N/A SER 495.A N ASP 493.A OD2 no hydrogen 3.025 N/A SER 495.A OG ASP 493.A OD2 no hydrogen 2.571 N/A GLY 496.A N ASP 493.A O no hydrogen 2.918 N/A ALA 497.A N SER 495.A OG no hydrogen 3.246 N/A ARG 499.A NE GLU 490.A OE1 no hydrogen 2.916 N/A ARG 499.A NH1 SER 462.A O no hydrogen 2.817 N/A ARG 499.A NH2 SER 462.A O no hydrogen 2.876 N/A ARG 499.A NH2 GLU 490.A OE1 no hydrogen 3.528 N/A ARG 499.A NH2 GLU 490.A OE2 no hydrogen 2.933 N/A ILE 500.A N SER 491.A O no hydrogen 2.742 N/A LEU 502.A N ILE 489.A O no hydrogen 2.855 N/A GLU 503.A N ILE 489.A O no hydrogen 3.279 N/A ASP 504.A N GLU 503.A OE1 no hydrogen 2.901 N/A SER 505.A N GLU 503.A OE1 no hydrogen 2.978 N/A SER 505.A OG ASP 504.A OD1 no hydrogen 3.429 N/A LEU 508.A N ASP 524.A OD2 no hydrogen 2.813 N/A GLN 509.A N ASP 524.A OD1 no hydrogen 3.050 N/A GLN 509.A N ASP 524.A OD2 no hydrogen 3.130 N/A VAL 511.A N ILE 523.A O no hydrogen 3.099 N/A THR 514.A N TYR 521.A O no hydrogen 2.870 N/A PHE 516.A N TRP 519.A O no hydrogen 2.901 N/A TRP 519.A N PHE 516.A O no hydrogen 2.930 N/A LEU 520.A N ILE 533.A O no hydrogen 2.815 N/A TYR 521.A N THR 514.A O no hydrogen 2.783 N/A TRP 522.A N GLU 531.A O no hydrogen 2.860 N/A ILE 523.A N GLY 512.A O no hydrogen 3.098 N/A ASP 524.A N MET 529.A O no hydrogen 2.944 N/A LYS 525.A N GLN 509.A O no hydrogen 2.972 N/A LYS 525.A NZ LEU 551.A O no hydrogen 2.661 N/A GLN 526.A N ASP 524.A OD1 no hydrogen 3.177 N/A GLN 527.A N ASP 524.A OD1 no hydrogen 3.099 N/A GLN 527.A NE2 ASN 506.A O no hydrogen 3.044 N/A GLN 527.A NE2 ASP 524.A OD2 no hydrogen 3.151 N/A MET 529.A N ASP 524.A O no hydrogen 3.191 N/A ILE 530.A N GLN 545.A O no hydrogen 2.939 N/A GLU 531.A N TRP 522.A O no hydrogen 2.920 N/A LYS 532.A N THR 542.A O no hydrogen 2.871 N/A ILE 533.A N LEU 520.A O no hydrogen 2.895 N/A MET 535.A N ASN 518.A O no hydrogen 2.736 N/A THR 536.A N ASP 534.A OD1 no hydrogen 2.942 N/A THR 536.A OG1 ASP 534.A OD1 no hydrogen 2.767 N/A THR 536.A OG1 ASP 534.A OD2 no hydrogen 2.946 N/A GLY 537.A N ASP 534.A O no hydrogen 3.079 N/A ARG 538.A N ASP 534.A OD2 no hydrogen 3.309 N/A ARG 538.A NE THR 536.A OG1 no hydrogen 2.909 N/A GLU 539.A N ASP 534.A OD2 no hydrogen 2.986 N/A ARG 541.A NE GLU 531.A OE1 no hydrogen 2.852 N/A ARG 541.A NH1 SER 505.A O no hydrogen 2.740 N/A ARG 541.A NH2 ASN 506.A O no hydrogen 2.858 N/A ARG 541.A NH2 GLU 531.A OE1 no hydrogen 3.499 N/A ARG 541.A NH2 GLU 531.A OE2 no hydrogen 3.163 N/A THR 542.A N LYS 532.A O no hydrogen 2.881 N/A THR 542.A OG1 GLY 540.A O no hydrogen 2.786 N/A VAL 544.A N ILE 530.A O no hydrogen 2.924 N/A GLN 545.A N ILE 530.A O no hydrogen 3.320 N/A GLN 545.A NE2 ASP 327.A OD2 no hydrogen 3.242 N/A ILE 548.A N GLN 528.A O no hydrogen 3.068 N/A SER 552.A N SER 310.A O no hydrogen 2.891 N/A SER 552.A OG SER 310.A OG no hydrogen 2.692 N/A SER 552.A OG VAL 338.A O no hydrogen 2.887 N/A ILE 554.A N ASP 553.A OD1 no hydrogen 2.892 N/A HIS 555.A N LEU 308.A O no hydrogen 2.759 N/A ALA 556.A N THR 514.A OG1 no hydrogen 2.791 N/A VAL 557.A N PHE 306.A O no hydrogen 2.799 N/A GLN 563.A N ASN 561.A OD1 no hydrogen 3.178 N/A GLU 564.A N ASN 561.A OD1 no hydrogen 3.339 N/A TYR 565.A N ASN 561.A O no hydrogen 2.834 N/A TYR 565.A OH ILE 386.A O no hydrogen 2.637 N/A ARG 566.A N LEU 562.A O no hydrogen 3.068 N/A GLN 567.A N GLU 564.A O no hydrogen 2.961 N/A HIS 568.A N TYR 565.A O no hydrogen 3.032 N/A HIS 568.A NE2 PRO 429.A O no hydrogen 2.896 N/A CYS 570.A N HIS 568.A ND1 no hydrogen 3.123 N/A ALA 571.A N HIS 568.A O no hydrogen 3.002 N/A ASN 574.A ND2 CYS 577.A O no hydrogen 3.179 N/A ASN 574.A ND2 HIS 579.A O no hydrogen 2.761 N/A GLY 575.A N GLN 572.A O no hydrogen 3.009 N/A GLY 576.A N ASP 573.A O no hydrogen 2.856 N/A CYS 577.A N ASN 574.A O no hydrogen 2.926 N/A CYS 577.A SG ASN 574.A O no hydrogen 3.254 N/A CYS 577.A SG GLY 575.A O no hydrogen 3.962 N/A SER 578.A N LEU 604.A O no hydrogen 2.878 N/A SER 578.A OG HIS 579.A ND1 no hydrogen 2.668 N/A SER 578.A OG LEU 604.A O no hydrogen 3.438 N/A HIS 579.A ND1 SER 578.A OG no hydrogen 2.668 N/A ILE 580.A N SER 592.A O no hydrogen 3.124 N/A CYS 581.A N TYR 390.A OH no hydrogen 3.077 N/A LEU 582.A N ARG 590.A O no hydrogen 2.875 N/A LYS 584.A N THR 588.A O no hydrogen 2.794 N/A LYS 584.A NZ GLU 455.A OE2 no hydrogen 2.678 N/A GLY 587.A N LYS 584.A O no hydrogen 2.949 N/A THR 588.A N ASP 586.A OD1 no hydrogen 3.067 N/A THR 588.A OG1 ASP 586.A OD1 no hydrogen 2.639 N/A ARG 590.A N LEU 582.A O no hydrogen 2.832 N/A ARG 590.A NE THR 588.A OG1 no hydrogen 3.209 N/A CYS 591.A SG GLU 603.A O no hydrogen 3.286 N/A SER 592.A N ILE 580.A O no hydrogen 2.776 N/A SER 592.A OG ASP 452.A OD2 no hydrogen 2.509 N/A MET 595.A N VAL 413.A O no hydrogen 2.809 N/A LEU 597.A N PRO 594.A O no hydrogen 3.285 N/A VAL 598.A N GLY 607.A O no hydrogen 2.926 N/A LEU 600.A N SER 605.A O no hydrogen 2.709 N/A GLU 603.A N LEU 600.A O no hydrogen 2.923 N/A LEU 604.A N ASP 602.A OD1 no hydrogen 2.926 N/A SER 605.A N ASP 602.A OD1 no hydrogen 2.911 N/A SER 605.A OG ASP 602.A OD2 no hydrogen 2.748 N/A CYS 606.A N SER 578.A OG no hydrogen 3.106 N/A CYS 606.A SG HIS 579.A ND1 no hydrogen 3.549 N/A CYS 606.A SG SER 592.A O no hydrogen 3.331 N/A GLY 607.A N VAL 598.A O no hydrogen 2.917 N/A