Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3na5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N LYS 272.A O no hydrogen 2.896 N/A HIS 3.A N LYS 272.A O no hydrogen 2.857 N/A ARG 5.A N HIS 3.A ND1 no hydrogen 2.887 N/A ARG 5.A NH1 ASP 14.A OD2 no hydrogen 2.828 N/A ARG 5.A NH2 ASP 14.A OD1 no hydrogen 2.787 N/A ARG 5.A NH2 ASP 14.A OD2 no hydrogen 3.469 N/A ALA 6.A N HIS 3.A O no hydrogen 3.080 N/A GLY 7.A N LEU 270.A O no hydrogen 2.799 N/A GLN 8.A N ARG 5.A O no hydrogen 2.977 N/A ALA 10.A N MET 268.A O no hydrogen 2.976 N/A GLN 11.A N ASP 14.A OD2 no hydrogen 2.781 N/A SER 13.A OG GLN 11.A OE1 no hydrogen 3.531 N/A ASP 14.A N GLN 11.A O no hydrogen 2.910 N/A LEU 15.A N GLN 12.A O no hydrogen 3.040 N/A GLN 20.A N ASN 17.A OD1 no hydrogen 2.983 N/A LEU 21.A N ASN 17.A O no hydrogen 2.969 N/A THR 22.A N VAL 18.A O no hydrogen 2.918 N/A THR 22.A OG1 VAL 18.A O no hydrogen 2.949 N/A ALA 23.A N ALA 19.A O no hydrogen 2.889 N/A GLN 24.A N GLN 20.A O no hydrogen 2.898 N/A TYR 25.A N LEU 21.A O no hydrogen 3.241 N/A TYR 25.A N THR 22.A O no hydrogen 3.081 N/A TYR 25.A OH SER 96.A OG no hydrogen 2.684 N/A TYR 26.A N ALA 23.A O no hydrogen 2.981 N/A VAL 27.A N ALA 23.A O no hydrogen 2.944 N/A LEU 28.A N GLN 24.A O no hydrogen 3.004 N/A GLU 31.A N HIS 37.A ND1 no hydrogen 2.923 N/A ASN 34.A N GLU 31.A O no hydrogen 2.942 N/A ASN 34.A ND2 GLU 31.A OE1 no hydrogen 3.026 N/A GLU 36.A N ASN 34.A OD1 no hydrogen 2.964 N/A HIS 37.A N ASN 34.A O no hydrogen 3.029 N/A ALA 38.A N ALA 35.A O no hydrogen 3.220 N/A LYS 40.A N HIS 46.A ND1 no hydrogen 2.962 N/A LYS 40.A NZ ALA 35.A O no hydrogen 3.018 N/A PHE 41.A N GLU 173.A OE1 no hydrogen 2.739 N/A GLY 42.A N GLY 45.A O no hydrogen 3.069 N/A GLY 45.A N GLY 42.A O no hydrogen 2.857 N/A HIS 46.A N ILE 154.A O no hydrogen 2.893 N/A HIS 46.A NE2 SER 54.A O no hydrogen 2.691 N/A GLY 48.A N GLY 152.A O no hydrogen 3.051 N/A SER 49.A N SER 54.A OG no hydrogen 2.815 N/A SER 49.A OG GLU 150.A O no hydrogen 2.642 N/A ARG 52.A N SER 49.A O no hydrogen 2.906 N/A ARG 52.A NH1 ASP 151.A OD1 no hydrogen 3.412 N/A ARG 52.A NH2 ASP 151.A OD1 no hydrogen 2.881 N/A HIS 53.A N ALA 50.A O no hydrogen 3.187 N/A HIS 53.A ND1 LYS 29.A O no hydrogen 3.163 N/A SER 54.A N SER 49.A O no hydrogen 3.136 N/A SER 54.A OG SER 49.A O no hydrogen 3.318 N/A PHE 55.A N ASN 56.A OD1 no hydrogen 2.923 N/A ASN 56.A N HIS 59.A ND1 no hydrogen 2.892 N/A ASN 56.A ND2 GLN 24.A O no hydrogen 3.003 N/A ASN 56.A ND2 ALA 50.A O no hydrogen 3.117 N/A GLU 57.A N TYR 25.A O no hydrogen 2.920 N/A HIS 59.A NE2 HIS 37.A O no hydrogen 2.718 N/A ILE 60.A N ASN 56.A O no hydrogen 3.304 N/A LEU 61.A N GLU 57.A O no hydrogen 2.948 N/A ALA 62.A N PRO 58.A O no hydrogen 3.074 N/A ILE 63.A N HIS 59.A O no hydrogen 2.912 N/A ALA 64.A N ILE 60.A O no hydrogen 2.856 N/A GLN 65.A N LEU 61.A O no hydrogen 3.048 N/A GLN 65.A NE2 GLU 69.A OE2 no hydrogen 2.830 N/A GLN 65.A NE2 ASN 104.A OD1 no hydrogen 3.227 N/A ALA 66.A N ALA 62.A O no hydrogen 3.025 N/A ILE 67.A N ILE 63.A O no hydrogen 2.852 N/A ALA 68.A N ALA 64.A O no hydrogen 2.926 N/A GLU 69.A N GLN 65.A O no hydrogen 2.966 N/A GLU 70.A N ALA 66.A O no hydrogen 2.824 N/A ARG 71.A N ILE 67.A O no hydrogen 2.872 N/A ARG 71.A NE ASP 138.A OD1 no hydrogen 3.273 N/A ARG 71.A NE ASP 138.A OD2 no hydrogen 2.813 N/A ARG 71.A NH2 GLY 78.A O no hydrogen 2.880 N/A ARG 71.A NH2 ASP 138.A OD1 no hydrogen 2.903 N/A ALA 72.A N ALA 68.A O no hydrogen 3.279 N/A LYS 73.A N GLU 69.A O no hydrogen 2.997 N/A ASN 74.A N GLU 70.A O no hydrogen 3.054 N/A ASN 74.A N ARG 71.A O no hydrogen 3.030 N/A ASN 74.A ND2 GLU 70.A OE2 no hydrogen 3.222 N/A GLY 75.A N ALA 72.A O no hydrogen 3.001 N/A ILE 76.A N ARG 71.A O no hydrogen 3.083 N/A GLY 78.A N LEU 136.A O no hydrogen 2.810 N/A CYS 80.A N ASP 107.A O no hydrogen 2.798 N/A CYS 80.A SG ASP 138.A OD1 no hydrogen 3.410 N/A TYR 81.A N ASP 138.A O no hydrogen 2.849 N/A VAL 82.A N ILE 109.A O no hydrogen 2.879 N/A GLY 83.A N ILE 140.A O no hydrogen 2.965 N/A LYS 84.A NZ GLU 91.A OE1 no hydrogen 3.447 N/A LYS 84.A NZ GLU 91.A OE2 no hydrogen 2.865 N/A LYS 84.A NZ ASN 114.A O no hydrogen 2.790 N/A LYS 84.A NZ GLY 115.A O no hydrogen 3.551 N/A ASP 85.A N ILE 142.A O no hydrogen 2.885 N/A THR 86.A OG1 GLY 236.A O no hydrogen 2.659 N/A HIS 87.A N ASP 85.A OD1 no hydrogen 2.895 N/A HIS 87.A ND1 ASP 85.A OD2 no hydrogen 2.699 N/A HIS 87.A NE2 ASN 147.A O no hydrogen 2.803 N/A SER 90.A N HIS 87.A O no hydrogen 3.118 N/A SER 90.A OG ASP 85.A OD1 no hydrogen 2.730 N/A SER 90.A OG HIS 87.A O no hydrogen 3.505 N/A SER 90.A OG ILE 142.A O no hydrogen 3.302 N/A GLU 91.A N ALA 88.A O no hydrogen 3.026 N/A ALA 93.A N LEU 89.A O no hydrogen 3.151 N/A PHE 94.A N SER 90.A O no hydrogen 2.878 N/A ILE 95.A N GLU 91.A O no hydrogen 3.198 N/A SER 96.A N PRO 92.A O no hydrogen 3.024 N/A SER 96.A OG TYR 25.A OH no hydrogen 2.684 N/A SER 96.A OG PRO 92.A O no hydrogen 3.337 N/A VAL 97.A N ALA 93.A O no hydrogen 2.961 N/A LEU 98.A N PHE 94.A O no hydrogen 2.999 N/A GLU 99.A N ILE 95.A O no hydrogen 2.988 N/A VAL 100.A N SER 96.A O no hydrogen 3.101 N/A LEU 101.A N VAL 97.A O no hydrogen 2.779 N/A ALA 102.A N LEU 98.A O no hydrogen 2.950 N/A ALA 103.A N GLU 99.A O no hydrogen 3.198 N/A ASN 104.A N VAL 100.A O no hydrogen 2.968 N/A ASN 104.A ND2 GLN 65.A OE1 no hydrogen 2.885 N/A ASN 104.A ND2 VAL 100.A O no hydrogen 2.961 N/A GLY 105.A N ALA 102.A O no hydrogen 2.927 N/A VAL 106.A N LEU 101.A O no hydrogen 2.910 N/A VAL 108.A N HIS 200.A O no hydrogen 2.632 N/A ILE 109.A N CYS 80.A O no hydrogen 2.933 N/A VAL 110.A N LYS 202.A O no hydrogen 2.926 N/A GLN 111.A NE2 GLU 112.A O no hydrogen 3.696 N/A GLN 111.A NE2 ASP 205.A OD1 no hydrogen 3.373 N/A GLU 112.A N VAL 204.A O no hydrogen 2.848 N/A ASN 114.A ND2 GLU 91.A OE1 no hydrogen 2.986 N/A GLY 115.A N GLU 112.A O no hydrogen 3.108 N/A THR 117.A N LYS 84.A O no hydrogen 2.930 N/A THR 119.A N ASP 304.A O no hydrogen 2.866 N/A VAL 122.A N PRO 118.A O no hydrogen 3.125 N/A SER 123.A N THR 119.A O no hydrogen 2.993 N/A SER 123.A OG GLY 161.A O no hydrogen 2.776 N/A SER 123.A OG SER 404.A OG no hydrogen 3.367 N/A ASN 124.A N PRO 120.A O no hydrogen 2.796 N/A ASN 124.A ND2 TRP 403.A O no hydrogen 3.015 N/A ALA 125.A N ALA 121.A O no hydrogen 2.937 N/A ILE 126.A N VAL 122.A O no hydrogen 2.929 N/A LEU 127.A N SER 123.A O no hydrogen 3.012 N/A VAL 128.A N ASN 124.A O no hydrogen 2.857 N/A HIS 129.A N ALA 125.A O no hydrogen 2.874 N/A ASN 130.A N ILE 126.A O no hydrogen 2.883 N/A ASN 130.A ND2 ALA 137.A O no hydrogen 3.038 N/A ASN 130.A ND2 PRO 159.A O no hydrogen 3.010 N/A LYS 131.A N LEU 127.A O no hydrogen 2.994 N/A LYS 132.A N HIS 129.A O no hydrogen 3.139 N/A GLY 133.A N ASN 130.A O no hydrogen 2.994 N/A ALA 137.A N ASN 130.A OD1 no hydrogen 2.777 N/A ASP 138.A N PRO 79.A O no hydrogen 3.039 N/A GLY 139.A N ASN 157.A O no hydrogen 2.880 N/A ILE 140.A N TYR 81.A O no hydrogen 2.879 N/A VAL 141.A N LYS 155.A O no hydrogen 2.954 N/A ILE 142.A N GLY 83.A O no hydrogen 2.802 N/A THR 143.A OG1 ASP 85.A OD2 no hydrogen 2.739 N/A SER 145.A N THR 143.A OG1 no hydrogen 2.874 N/A SER 145.A OG ASP 304.A OD1 no hydrogen 3.157 N/A SER 145.A OG ASP 304.A OD2 no hydrogen 2.961 N/A ASN 147.A N PRO 144.A O no hydrogen 3.368 N/A ASN 147.A ND2 ASP 151.A OD2 no hydrogen 2.921 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.646 N/A ASP 151.A N PRO 148.A O no hydrogen 3.024 N/A GLY 152.A N GLY 48.A O no hydrogen 2.788 N/A ILE 154.A N HIS 46.A O no hydrogen 3.006 N/A LYS 155.A N VAL 141.A O no hydrogen 2.900 N/A LYS 155.A NZ ASP 406.A OD2 no hydrogen 2.825 N/A TYR 156.A OH ASP 138.A OD2 no hydrogen 2.593 N/A ASN 157.A N GLY 139.A O no hydrogen 2.840 N/A GLY 161.A N PRO 158.A O no hydrogen 2.780 N/A GLY 162.A N ASN 160.A OD1 no hydrogen 2.954 N/A ALA 164.A N TYR 156.A O no hydrogen 2.949 N/A THR 166.A N ASP 165.A OD1 no hydrogen 2.758 N/A VAL 168.A N ASP 165.A O no hydrogen 2.988 N/A THR 169.A N ASP 165.A O no hydrogen 2.875 N/A THR 169.A OG1 ASP 165.A O no hydrogen 3.389 N/A LYS 170.A N THR 166.A O no hydrogen 3.031 N/A LYS 170.A NZ GLU 173.A OE2 no hydrogen 2.476 N/A VAL 172.A N VAL 168.A O no hydrogen 2.968 N/A GLU 173.A N THR 169.A O no hydrogen 2.846 N/A ASP 174.A N LYS 170.A O no hydrogen 2.968 N/A ARG 175.A N VAL 171.A O no hydrogen 2.988 N/A ARG 175.A NE GLU 69.A OE1 no hydrogen 2.648 N/A ARG 175.A NH2 GLU 69.A OE2 no hydrogen 3.045 N/A ALA 176.A N VAL 172.A O no hydrogen 2.850 N/A ASN 177.A N GLU 173.A O no hydrogen 2.965 N/A ALA 178.A N ASP 174.A O no hydrogen 2.918 N/A LEU 179.A N ARG 175.A O no hydrogen 2.814 N/A LEU 180.A N ALA 176.A O no hydrogen 2.947 N/A ALA 181.A N ASN 177.A O no hydrogen 2.929 N/A GLY 182.A N ALA 178.A O no hydrogen 2.832 N/A GLY 183.A N LEU 180.A O no hydrogen 3.169 N/A LEU 184.A N LEU 179.A O no hydrogen 2.805 N/A GLN 185.A N GLY 182.A O no hydrogen 3.320 N/A VAL 187.A N LEU 184.A O no hydrogen 2.973 N/A LYS 188.A N GLN 65.A OE1 no hydrogen 2.863 N/A ARG 189.A NE GLU 99.A OE1 no hydrogen 2.773 N/A ARG 189.A NH2 GLU 99.A OE1 no hydrogen 3.074 N/A ARG 189.A NH2 GLU 99.A OE2 no hydrogen 3.463 N/A ILE 190.A N GLU 99.A O no hydrogen 3.328 N/A ALA 194.A N SER 191.A OG no hydrogen 2.966 N/A ALA 195.A N SER 191.A O no hydrogen 2.816 N/A MET 196.A N LEU 192.A O no hydrogen 2.897 N/A ALA 197.A N ASP 193.A O no hydrogen 2.935 N/A SER 198.A N ALA 195.A O no hydrogen 3.309 N/A SER 198.A OG ALA 195.A O no hydrogen 2.681 N/A HIS 200.A N SER 198.A OG no hydrogen 2.973 N/A HIS 200.A ND1 ASP 107.A OD1 no hydrogen 2.909 N/A LYS 202.A N VAL 108.A O no hydrogen 2.859 N/A VAL 204.A N VAL 110.A O no hydrogen 2.850 N/A LEU 206.A N GLN 111.A OE1 no hydrogen 2.887 N/A VAL 207.A N ASP 205.A OD1 no hydrogen 3.054 N/A GLN 208.A N ASP 205.A OD2 no hydrogen 3.240 N/A GLN 208.A NE2 GLU 212.A OE2 no hydrogen 2.630 N/A PHE 210.A N LEU 206.A O no hydrogen 3.451 N/A VAL 211.A N VAL 207.A O no hydrogen 2.888 N/A GLU 212.A N GLN 208.A O no hydrogen 2.866 N/A GLY 213.A N PRO 209.A O no hydrogen 2.970 N/A LEU 214.A N VAL 211.A O no hydrogen 3.238 N/A ASP 216.A N GLY 213.A O no hydrogen 2.852 N/A ILE 217.A N LEU 214.A O no hydrogen 3.002 N/A VAL 218.A N LEU 214.A O no hydrogen 2.862 N/A ASP 219.A N GLU 418.A OE1 no hydrogen 2.929 N/A ALA 222.A N ASP 219.A OD1 no hydrogen 3.102 N/A ILE 223.A N ASP 219.A O no hydrogen 3.222 N/A GLN 224.A N MET 220.A O no hydrogen 2.903 N/A GLN 224.A NE2 TYR 250.A O no hydrogen 2.620 N/A LYS 225.A N ALA 221.A O no hydrogen 2.899 N/A ALA 226.A N ALA 222.A O no hydrogen 2.992 N/A ALA 226.A N ILE 223.A O no hydrogen 3.165 N/A GLY 227.A N GLN 224.A O no hydrogen 3.213 N/A THR 229.A N ASP 296.A OD2 no hydrogen 2.724 N/A LEU 230.A N ASN 253.A O no hydrogen 2.848 N/A GLY 231.A N LEU 297.A O no hydrogen 3.075 N/A VAL 232.A N THR 255.A O no hydrogen 2.883 N/A ASP 233.A N PHE 299.A O no hydrogen 2.827 N/A LEU 235.A N ASP 233.A OD1 no hydrogen 2.910 N/A GLY 237.A N PRO 234.A O no hydrogen 2.992 N/A SER 238.A N PRO 303.A O no hydrogen 2.830 N/A SER 238.A OG PRO 303.A O no hydrogen 2.763 N/A ILE 240.A N GLY 237.A O no hydrogen 3.299 N/A TRP 243.A N GLY 239.A O no hydrogen 3.010 N/A TRP 243.A NE1 ASN 301.A OD1 no hydrogen 2.841 N/A LYS 244.A N ILE 240.A O no hydrogen 3.249 N/A LYS 244.A NZ GLU 241.A OE2 no hydrogen 2.938 N/A ARG 245.A N GLU 241.A O no hydrogen 2.963 N/A ARG 245.A NH1 ASP 205.A OD2 no hydrogen 2.966 N/A ARG 245.A NH1 GLN 208.A OE1 no hydrogen 3.074 N/A ILE 246.A N TYR 242.A O no hydrogen 2.819 N/A ALA 247.A N TRP 243.A O no hydrogen 2.983 N/A GLU 248.A N LYS 244.A O no hydrogen 3.096 N/A HIS 249.A N ARG 245.A O no hydrogen 2.783 N/A TYR 250.A N ILE 246.A O no hydrogen 3.010 N/A TYR 250.A OH VAL 211.A O no hydrogen 2.691 N/A LYS 251.A N GLU 248.A O no hydrogen 3.264 N/A LEU 252.A N ALA 247.A O no hydrogen 2.921 N/A THR 255.A N LEU 230.A O no hydrogen 2.970 N/A VAL 257.A N VAL 232.A O no hydrogen 2.897 N/A ASN 258.A ND2 ASP 233.A OD1 no hydrogen 3.184 N/A GLN 260.A N ASN 258.A OD1 no hydrogen 3.005 N/A THR 264.A N ASP 262.A OD1 no hydrogen 2.862 N/A THR 264.A OG1 ASP 262.A OD1 no hydrogen 2.636 N/A PHE 265.A N ASP 262.A O no hydrogen 2.788 N/A ARG 266.A NE ASP 262.A OD2 no hydrogen 2.926 N/A ARG 266.A NH1 GLN 12.A OE1.B no hydrogen 2.967 N/A MET 268.A N PHE 265.A O no hydrogen 3.046 N/A LEU 270.A N GLN 8.A O no hydrogen 2.778 N/A ASP 271.A N ALA 275.A O no hydrogen 2.790 N/A LYS 272.A N ASP 271.A OD1 no hydrogen 2.744 N/A GLY 274.A N ASP 271.A O no hydrogen 2.843 N/A ALA 275.A N ASP 273.A OD1 no hydrogen 3.050 N/A ARG 277.A NH1 ASP 271.A OD2 no hydrogen 2.752 N/A ARG 277.A NH1 ASP 273.A OD1 no hydrogen 2.920 N/A ARG 277.A NH1 ASP 273.A OD2 no hydrogen 3.379 N/A ARG 277.A NH2 ASP 273.A OD2 no hydrogen 2.845 N/A MET 278.A N HIS 146.A O no hydrogen 3.148 N/A SER 281.A N ASP 279.A OD1 no hydrogen 3.049 N/A SER 281.A OG ASP 279.A OD1 no hydrogen 3.047 N/A SER 282.A N ASP 279.A O no hydrogen 3.085 N/A SER 282.A OG ASP 271.A OD1 no hydrogen 2.393 N/A MET 285.A N SER 282.A O no hydrogen 2.911 N/A LEU 289.A N MET 285.A O no hydrogen 2.932 N/A ALA 290.A N ALA 286.A O no hydrogen 2.945 N/A LEU 291.A N LEU 288.A O no hydrogen 2.903 N/A ARG 292.A N LEU 289.A O no hydrogen 3.204 N/A ARG 292.A NE PRO 313.A O no hydrogen 2.907 N/A ARG 292.A NH1 LEU 289.A O no hydrogen 2.868 N/A LYS 294.A N LEU 291.A O no hydrogen 2.982 N/A PHE 295.A N ARG 292.A O no hydrogen 3.414 N/A ASP 296.A N THR 229.A O no hydrogen 2.805 N/A ALA 298.A N VAL 311.A O no hydrogen 2.863 N/A PHE 299.A N GLY 231.A O no hydrogen 2.958 N/A ALA 300.A N GLY 309.A O no hydrogen 3.107 N/A ASN 301.A ND2 ARG 307.A O no hydrogen 2.967 N/A ASP 304.A N ASP 304.A OD2 no hydrogen 2.628 N/A TYR 305.A N ASP 302.A O no hydrogen 2.801 N/A TYR 305.A OH PRO 234.A O no hydrogen 2.797 N/A ARG 307.A N ASP 302.A OD1 no hydrogen 2.920 N/A ARG 307.A NE SER 390.A O no hydrogen 2.562 N/A ARG 307.A NH1 ASP 279.A OD1 no hydrogen 3.369 N/A ARG 307.A NH1 ASP 302.A OD2 no hydrogen 3.349 N/A ARG 307.A NH2 ASP 279.A OD1 no hydrogen 2.773 N/A ARG 307.A NH2 SER 390.A O no hydrogen 3.140 N/A HIS 308.A N ALA 391.A O no hydrogen 3.104 N/A GLY 309.A N ALA 300.A O no hydrogen 2.939 N/A VAL 311.A N ALA 298.A O no hydrogen 2.827 N/A THR 312.A N GLY 315.A O no hydrogen 3.069 N/A ALA 314.A N THR 312.A OG1 no hydrogen 3.188 N/A GLY 315.A N THR 312.A O no hydrogen 2.830 N/A MET 317.A N ILE 310.A O no hydrogen 2.762 N/A ASN 320.A N ASN 318.A OD1 no hydrogen 2.866 N/A TYR 322.A N ASN 318.A O no hydrogen 3.052 N/A TYR 322.A OH MET 412.A O no hydrogen 2.710 N/A LEU 323.A N PRO 319.A O no hydrogen 3.002 N/A ALA 324.A N ASN 320.A O no hydrogen 3.458 N/A VAL 325.A N HIS 321.A O no hydrogen 3.158 N/A ALA 326.A N TYR 322.A O no hydrogen 2.776 N/A ILE 327.A N LEU 323.A O no hydrogen 2.914 N/A ASN 328.A N ALA 324.A O no hydrogen 2.899 N/A TYR 329.A N VAL 325.A O no hydrogen 2.873 N/A TYR 329.A OH GLU 418.A OE2 no hydrogen 2.594 N/A LEU 330.A N ALA 326.A O no hydrogen 2.798 N/A PHE 331.A N ILE 327.A O no hydrogen 3.064 N/A GLN 332.A N TYR 329.A O no hydrogen 3.028 N/A GLN 332.A NE2 ASN 328.A O no hydrogen 2.928 N/A HIS 333.A N LEU 330.A O no hydrogen 2.932 N/A HIS 333.A ND1 TYR 329.A O no hydrogen 2.785 N/A ARG 334.A NH1 HIS 333.A O no hydrogen 2.867 N/A ARG 334.A NH1 GLU 418.A OE2 no hydrogen 2.887 N/A ARG 334.A NH2 ILE 217.A O no hydrogen 2.964 N/A ARG 334.A NH2 GLU 418.A OE1 no hydrogen 2.937 N/A ARG 334.A NH2 GLU 418.A OE2 no hydrogen 3.494 N/A TRP 337.A N ARG 334.A O no hydrogen 2.982 N/A TRP 337.A NE1 ARG 397.A O no hydrogen 2.939 N/A VAL 341.A N GLY 338.A O no hydrogen 2.929 N/A ALA 342.A N SER 382.A O no hydrogen 2.763 N/A VAL 343.A N LYS 363.A O no hydrogen 2.848 N/A GLY 344.A N PHE 385.A O no hydrogen 2.900 N/A LYS 345.A N VAL 365.A O no hydrogen 2.987 N/A LYS 345.A NZ ASP 354.A OD1 no hydrogen 3.486 N/A LYS 345.A NZ ASP 354.A OD2 no hydrogen 2.570 N/A LYS 345.A NZ GLU 366.A OE1 no hydrogen 2.929 N/A THR 346.A OG1 SER 349.A OG no hydrogen 2.953 N/A SER 349.A N THR 346.A O no hydrogen 3.094 N/A SER 349.A OG THR 346.A OG1 no hydrogen 2.953 N/A SER 350.A OG GLU 518.A OE2 no hydrogen 2.611 N/A ALA 351.A N GLU 518.A OE1 no hydrogen 2.802 N/A MET 352.A N SER 350.A OG no hydrogen 2.901 N/A ILE 353.A N SER 350.A O no hydrogen 3.118 N/A ARG 355.A N ALA 351.A O no hydrogen 3.068 N/A ARG 355.A NH1 ALA 351.A O no hydrogen 3.291 N/A VAL 356.A N MET 352.A O no hydrogen 2.931 N/A VAL 357.A N ILE 353.A O no hydrogen 2.883 N/A ASN 358.A N ASP 354.A O no hydrogen 2.894 N/A ASP 359.A N ARG 355.A O no hydrogen 2.900 N/A LEU 360.A N VAL 356.A O no hydrogen 2.917 N/A GLY 361.A N ASN 358.A O no hydrogen 2.979 N/A ARG 362.A N VAL 357.A O no hydrogen 3.077 N/A ARG 362.A NH1 TRP 337.A O no hydrogen 3.053 N/A ARG 362.A NH1 VAL 341.A O no hydrogen 3.233 N/A ARG 362.A NH2 TRP 337.A O no hydrogen 3.019 N/A VAL 365.A N VAL 343.A O no hydrogen 2.744 N/A VAL 367.A N LYS 345.A O no hydrogen 2.830 N/A LYS 372.A NZ ASP 165.A OD1 no hydrogen 3.029 N/A LYS 372.A NZ ASP 165.A OD2 no hydrogen 3.058 N/A TRP 373.A N GLY 370.A O no hydrogen 3.233 N/A PHE 374.A N PHE 371.A O no hydrogen 2.881 N/A VAL 375.A N LYS 372.A O no hydrogen 3.341 N/A LEU 378.A N PHE 374.A O no hydrogen 2.914 N/A PHE 379.A N VAL 375.A O no hydrogen 2.928 N/A ASP 380.A N ASP 376.A O no hydrogen 2.989 N/A GLY 381.A N LEU 378.A O no hydrogen 3.218 N/A SER 382.A N ASP 380.A OD1 no hydrogen 2.981 N/A SER 382.A OG ASP 380.A OD1 no hydrogen 2.654 N/A PHE 383.A N GLY 377.A O no hydrogen 2.951 N/A GLY 384.A N ALA 342.A O no hydrogen 2.828 N/A GLY 386.A N SER 394.A O no hydrogen 3.031 N/A GLU 388.A N GLY 392.A O no hydrogen 2.757 N/A ALA 391.A N GLU 388.A O no hydrogen 3.270 N/A SER 394.A N GLY 386.A O no hydrogen 2.995 N/A SER 394.A OG SER 404.A O no hydrogen 2.790 N/A LEU 396.A N GLY 384.A O no hydrogen 3.079 N/A ARG 397.A N THR 401.A O no hydrogen 2.807 N/A ARG 397.A NE PRO 402.A O no hydrogen 2.993 N/A ARG 397.A NH1 ASP 216.A OD1.B no hydrogen 2.664 N/A PHE 398.A N ASP 216.A O no hydrogen 2.932 N/A GLY 400.A N ARG 397.A O no hydrogen 2.992 N/A THR 401.A N ASP 399.A OD1 no hydrogen 3.027 N/A THR 401.A OG1 ASP 399.A OD1 no hydrogen 2.715 N/A TRP 403.A NE1 ASP 408.A OD2 no hydrogen 2.779 N/A SER 404.A OG ASP 406.A O no hydrogen 2.817 N/A THR 405.A N SER 123.A OG no hydrogen 2.969 N/A THR 405.A OG1 SER 123.A OG no hydrogen 3.290 N/A THR 405.A OG1 ASN 160.A O no hydrogen 2.645 N/A ASP 406.A N SER 123.A OG no hydrogen 3.304 N/A LYS 407.A N ASP 406.A OD1 no hydrogen 2.784 N/A LYS 407.A NZ GLU 388.A OE1 no hydrogen 2.601 N/A ASP 408.A N ALA 393.A O no hydrogen 2.913 N/A GLY 409.A N TYR 305.A O no hydrogen 2.875 N/A ILE 411.A N ASP 408.A OD1 no hydrogen 2.884 N/A CYS 413.A N GLY 409.A O no hydrogen 3.081 N/A CYS 413.A SG ALA 300.A O no hydrogen 3.874 N/A CYS 413.A SG GLY 409.A O no hydrogen 3.320 N/A LEU 414.A N ILE 410.A O no hydrogen 2.860 N/A LEU 415.A N ILE 411.A O no hydrogen 2.849 N/A ALA 416.A N MET 412.A O no hydrogen 3.403 N/A ALA 417.A N CYS 413.A O no hydrogen 3.398 N/A GLU 418.A N LEU 414.A O no hydrogen 2.840 N/A ILE 419.A N LEU 415.A O no hydrogen 2.792 N/A THR 420.A N ALA 416.A O no hydrogen 3.058 N/A THR 420.A OG1 ALA 416.A O no hydrogen 2.779 N/A ALA 421.A N ALA 417.A O no hydrogen 2.874 N/A VAL 422.A N GLU 418.A O no hydrogen 2.826 N/A THR 423.A N ILE 419.A O no hydrogen 3.014 N/A THR 423.A OG1 ILE 419.A O no hydrogen 2.783 N/A THR 423.A OG1 HIS 430.A NE2 no hydrogen 2.698 N/A GLY 424.A N THR 420.A O no hydrogen 2.954 N/A LYS 425.A N THR 423.A OG1 no hydrogen 3.118 N/A LYS 425.A NZ GLU 433.A OE1 no hydrogen 3.470 N/A LYS 425.A NZ GLU 433.A OE2 no hydrogen 2.500 N/A ASN 426.A N GLU 429.A OE1.A no hydrogen 2.898 N/A GLU 429.A N ASN 426.A OD1 no hydrogen 2.971 N/A HIS 430.A N ASN 426.A O no hydrogen 3.020 N/A HIS 430.A NE2 THR 423.A OG1 no hydrogen 2.698 N/A TYR 431.A N PRO 427.A O no hydrogen 2.967 N/A ASN 432.A N GLN 428.A O no hydrogen 2.976 N/A GLU 433.A N GLU 429.A O no hydrogen 3.220 N/A LEU 434.A N HIS 430.A O no hydrogen 3.022 N/A ALA 435.A N TYR 431.A O no hydrogen 2.801 N/A ALA 436.A N ASN 432.A O no hydrogen 2.970 N/A ARG 437.A N GLU 433.A O no hydrogen 2.976 N/A ARG 437.A NH1 ASP 359.A OD2.B no hydrogen 3.485 N/A PHE 438.A N LEU 434.A O no hydrogen 2.902 N/A GLY 439.A N ALA 435.A O no hydrogen 2.679 N/A SER 442.A N SER 519.A O no hydrogen 2.822 N/A TYR 443.A OH VAL 348.A O no hydrogen 2.568 N/A ASN 444.A N CYS 517.A O no hydrogen 2.884 N/A ASN 444.A ND2 GLU 530.A OE2 no hydrogen 3.000 N/A LEU 446.A N ILE 515.A O no hydrogen 2.755 N/A ALA 448.A N TYR 513.A O no hydrogen 3.273 N/A ALA 450.A N ASP 511.A O no hydrogen 2.744 N/A THR 451.A N GLN 454.A OE1 no hydrogen 2.749 N/A THR 451.A OG1 GLN 454.A OE1 no hydrogen 3.300 N/A GLN 454.A N THR 451.A OG1 no hydrogen 2.426 N/A LYS 455.A N THR 451.A O no hydrogen 2.894 N/A LYS 455.A NZ SER 507.A O no hydrogen 2.970 N/A LYS 455.A NZ GLU 510.A O no hydrogen 3.014 N/A ALA 456.A N SER 452.A O no hydrogen 2.998 N/A ALA 457.A N ALA 453.A O no hydrogen 2.939 N/A LEU 458.A N GLN 454.A O no hydrogen 2.799 N/A SER 459.A N ALA 456.A O no hydrogen 3.229 N/A SER 459.A OG ALA 456.A O no hydrogen 3.039 N/A LYS 460.A N ALA 457.A O no hydrogen 2.850 N/A MET 465.A N SER 462.A O no hydrogen 2.955 N/A VAL 466.A N PRO 463.A O no hydrogen 3.187 N/A LEU 471.A N ASP 474.A O no hydrogen 2.859 N/A ALA 472.A N GLU 532.A OE1 no hydrogen 2.707 N/A ASP 474.A N LEU 471.A O no hydrogen 3.071 N/A ILE 476.A N SER 469.A O no hydrogen 2.828 N/A THR 477.A N MET 496.A O no hydrogen 2.797 N/A THR 477.A OG1 MET 496.A O no hydrogen 3.185 N/A ALA 478.A N MET 496.A O no hydrogen 3.455 N/A LEU 480.A N LYS 494.A O no hydrogen 2.770 N/A ALA 483.A N ALA 488.A O no hydrogen 2.779 N/A GLY 485.A N GLU 366.A O no hydrogen 2.789 N/A GLY 487.A N ALA 483.A O no hydrogen 2.690 N/A ALA 488.A N ASN 486.A OD1 no hydrogen 2.894 N/A ILE 490.A N THR 481.A O no hydrogen 3.104 N/A GLY 491.A N SER 489.A OG no hydrogen 3.106 N/A LEU 493.A N ALA 504.A O no hydrogen 2.993 N/A LYS 494.A N LEU 480.A O no hydrogen 2.912 N/A LYS 494.A NZ LEU 347.A O no hydrogen 2.936 N/A LYS 494.A NZ GLU 366.A OE1 no hydrogen 3.497 N/A LYS 494.A NZ GLU 366.A OE2 no hydrogen 2.771 N/A VAL 495.A N PHE 502.A O no hydrogen 2.888 N/A MET 496.A N ALA 478.A O no hydrogen 3.015 N/A THR 497.A N GLY 500.A O no hydrogen 2.831 N/A THR 497.A OG1 GLY 500.A O no hydrogen 3.437 N/A ASN 499.A N THR 497.A OG1 no hydrogen 3.014 N/A ASN 499.A ND2 ASP 474.A OD2 no hydrogen 2.862 N/A GLY 500.A N THR 497.A OG1 no hydrogen 3.177 N/A TRP 501.A N GLU 518.A O no hydrogen 3.024 N/A TRP 501.A NE1 GLU 518.A OE1 no hydrogen 2.894 N/A PHE 502.A N VAL 495.A O no hydrogen 3.020 N/A ALA 503.A N TYR 516.A O no hydrogen 2.808 N/A ALA 504.A N LEU 493.A O no hydrogen 2.750 N/A ARG 505.A N LYS 514.A O no hydrogen 2.925 N/A ARG 505.A NE ILE 490.A O no hydrogen 2.881 N/A ARG 505.A NH2 ILE 490.A O no hydrogen 3.309 N/A SER 507.A N ALA 512.A O no hydrogen 2.720 N/A SER 507.A OG GLU 510.A O no hydrogen 3.495 N/A THR 509.A N SER 507.A OG no hydrogen 3.113 N/A GLU 510.A N SER 507.A OG no hydrogen 2.849 N/A TYR 513.A N ALA 448.A O no hydrogen 2.922 N/A LYS 514.A N ARG 505.A O no hydrogen 2.765 N/A ILE 515.A N LEU 446.A O no hydrogen 2.916 N/A TYR 516.A N ALA 503.A O no hydrogen 2.794 N/A CYS 517.A N ASN 444.A O no hydrogen 2.873 N/A CYS 517.A SG.B ASN 444.A O no hydrogen 3.829 N/A CYS 517.A SG.B GLU 530.A OE2 no hydrogen 3.908 N/A GLU 518.A N TRP 501.A O no hydrogen 3.080 N/A SER 519.A N SER 442.A O no hydrogen 2.942 N/A SER 519.A OG HIS 525.A ND1 no hydrogen 2.564 N/A PHE 520.A N ASN 499.A O no hydrogen 2.877 N/A LEU 521.A N SER 519.A OG no hydrogen 2.819 N/A GLY 522.A N SER 519.A OG no hydrogen 3.367 N/A HIS 525.A ND1 SER 519.A OG no hydrogen 2.564 N/A HIS 525.A NE2 ALA 472.A O no hydrogen 3.005 N/A ARG 526.A N GLY 522.A O no hydrogen 2.908 N/A ARG 526.A NE GLU 530.A OE2 no hydrogen 2.604 N/A ARG 526.A NH1 SER 442.A OG no hydrogen 2.843 N/A ARG 526.A NH2 GLU 530.A OE2 no hydrogen 2.849 N/A LYS 527.A N GLU 523.A O no hydrogen 2.905 N/A GLN 528.A N GLU 524.A O no hydrogen 3.139 N/A GLN 528.A N HIS 525.A O no hydrogen 3.037 N/A GLN 528.A NE2 GLU 532.A OE2 no hydrogen 2.608 N/A ILE 529.A N HIS 525.A O no hydrogen 2.938 N/A GLU 530.A N ARG 526.A O no hydrogen 2.892 N/A LYS 531.A N LYS 527.A O no hydrogen 3.106 N/A GLU 532.A N GLN 528.A O no hydrogen 2.989 N/A ALA 533.A N ILE 529.A O no hydrogen 2.824 N/A VAL 534.A N GLU 530.A O no hydrogen 2.974 N/A GLU 535.A N LYS 531.A O no hydrogen 3.098 N/A ILE 536.A N GLU 532.A O no hydrogen 2.678 N/A VAL 537.A N ALA 533.A O no hydrogen 2.758 N/A SER 538.A N VAL 534.A O no hydrogen 2.846 N/A SER 538.A OG VAL 534.A O no hydrogen 2.839 N/A GLU 539.A N GLU 535.A O no hydrogen 2.907 N/A VAL 540.A N ILE 536.A O no hydrogen 2.913 N/A LEU 541.A N VAL 537.A O no hydrogen 3.017 N/A LYS 542.A N GLU 539.A O no hydrogen 3.064 N/A