Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2rk7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N GLN 1.A OE1 no hydrogen 2.902 N/A ASP 7.A N GLN 1.A OE1 no hydrogen 3.193 N/A PHE 8.A N GLU 29.A OE1.A no hydrogen 2.829 N/A SER 9.A N ASP 7.A OD1 no hydrogen 3.145 N/A SER 9.A OG ASP 7.A OD1 no hydrogen 2.972 N/A LYS 11.A N PHE 8.A O no hydrogen 2.945 N/A VAL 12.A N SER 9.A O no hydrogen 3.165 N/A ILE 13.A N ILE 40.A O no hydrogen 2.823 N/A GLN 14.A NE2 ILE 42.A O no hydrogen 3.113 N/A GLN 14.A NE2 GLU 49.A OE1 no hydrogen 2.756 N/A ASP 18.A N SER 16.A OG no hydrogen 3.075 N/A SER 19.A N SER 16.A O no hydrogen 3.119 N/A LEU 20.A N LEU 17.A O no hydrogen 3.369 N/A ARG 25.A N PRO 21.A O no hydrogen 2.919 N/A ARG 25.A NE GLU 29.A OE2.A no hydrogen 2.741 N/A ARG 25.A NH1 ASP 18.A OD1 no hydrogen 2.700 N/A ARG 25.A NH2 GLU 29.A OE1.A no hydrogen 3.197 N/A ARG 25.A NH2 GLU 29.A OE2.A no hydrogen 3.450 N/A LYS 26.A N GLN 22.A O no hydrogen 3.061 N/A LYS 26.A NZ GLU 23.A OE1 no hydrogen 2.757 N/A PHE 27.A N GLU 23.A O no hydrogen 3.141 N/A VAL 28.A N VAL 24.A O no hydrogen 2.898 N/A GLU 29.A N ARG 25.A O no hydrogen 2.732 N/A GLY 30.A N LYS 26.A O no hydrogen 3.020 N/A ASN 31.A N PHE 27.A O no hydrogen 3.298 N/A ASN 31.A ND2 PHE 27.A O no hydrogen 2.945 N/A ALA 32.A N VAL 28.A O no hydrogen 2.933 N/A GLN 33.A N GLU 29.A O no hydrogen 2.888 N/A GLN 33.A NE2 LEU 6.A O no hydrogen 2.710 N/A LEU 34.A N GLY 30.A O no hydrogen 3.143 N/A CYS 35.A N ASN 31.A O no hydrogen 2.766 N/A CYS 35.A SG ASN 31.A O no hydrogen 3.354 N/A GLN 36.A N ALA 32.A O no hydrogen 2.869 N/A GLU 38.A N ARG 134.A O no hydrogen 2.771 N/A TYR 39.A N ARG 134.A O no hydrogen 3.420 N/A ILE 40.A N LYS 11.A O no hydrogen 2.917 N/A HIS 41.A N MET 136.A O no hydrogen 2.839 N/A HIS 41.A NE2 GLU 49.A OE1 no hydrogen 2.912 N/A ILE 42.A N GLN 14.A O no hydrogen 3.044 N/A CYS 43.A N VAL 138.A O no hydrogen 2.838 N/A CYS 43.A SG VAL 138.A O no hydrogen 3.391 N/A ASP 44.A N GLU 49.A OE1 no hydrogen 2.953 N/A GLY 45.A N GLU 49.A OE2 no hydrogen 2.944 N/A SER 46.A N ASP 44.A OD1 no hydrogen 2.922 N/A SER 46.A OG ASP 44.A OD1 no hydrogen 2.812 N/A SER 46.A OG ASP 44.A OD2 no hydrogen 3.448 N/A GLU 49.A N SER 46.A OG no hydrogen 2.993 N/A TYR 50.A N SER 46.A O no hydrogen 3.155 N/A GLY 51.A N GLU 47.A O no hydrogen 2.810 N/A ARG 52.A N GLU 48.A O no hydrogen 3.080 N/A LEU 53.A N GLU 49.A O no hydrogen 3.068 N/A LEU 54.A N TYR 50.A O no hydrogen 2.963 N/A ALA 55.A N GLY 51.A O no hydrogen 2.957 N/A HIS 56.A N ARG 52.A O no hydrogen 2.988 N/A MET 57.A N LEU 53.A O no hydrogen 3.051 N/A GLN 58.A N LEU 54.A O no hydrogen 2.991 N/A GLU 59.A N ALA 55.A O no hydrogen 2.971 N/A GLU 60.A N HIS 56.A O no hydrogen 3.101 N/A GLY 61.A N GLN 58.A O no hydrogen 3.051 N/A VAL 62.A N MET 57.A O no hydrogen 2.836 N/A ILE 63.A N MET 57.A O no hydrogen 3.432 N/A ARG 64.A N LEU 74.A O no hydrogen 2.809 N/A ARG 64.A NE GLU 359.A OE1 no hydrogen 2.858 N/A ARG 64.A NH2 GLU 359.A OE2 no hydrogen 3.212 N/A LEU 66.A N CYS 72.A O no hydrogen 2.996 N/A LYS 68.A N GLY 363.A O no hydrogen 3.185 N/A TYR 69.A N LEU 66.A O no hydrogen 3.326 N/A CYS 72.A SG ASP 70.A O no hydrogen 3.733 N/A CYS 72.A SG ILE 348.A O no hydrogen 3.939 N/A CYS 72.A SG GLN 349.A O no hydrogen 3.599 N/A TRP 73.A N THR 352.A O no hydrogen 3.079 N/A LEU 74.A N ARG 64.A O no hydrogen 2.761 N/A ALA 75.A N PHE 354.A O no hydrogen 2.826 N/A THR 77.A N ASN 356.A OD1 no hydrogen 2.850 N/A THR 77.A OG1 ASP 78.A O no hydrogen 2.998 N/A THR 77.A OG1 ASP 81.A O no hydrogen 2.879 N/A ARG 80.A N ASP 78.A OD1 no hydrogen 2.926 N/A ARG 80.A NE ASP 78.A OD1 no hydrogen 3.140 N/A ARG 80.A NE ASP 78.A OD2 no hydrogen 3.109 N/A ARG 80.A NH2 ASP 78.A OD2 no hydrogen 2.711 N/A ASP 81.A N ASP 78.A O no hydrogen 2.853 N/A LYS 88.A N ILE 85.A O no hydrogen 3.124 N/A THR 89.A N GLU 86.A O no hydrogen 3.054 N/A THR 89.A OG1 ILE 85.A O no hydrogen 2.707 N/A VAL 90.A N ILE 216.A O no hydrogen 2.917 N/A ILE 91.A N ARG 112.A O no hydrogen 2.888 N/A ILE 92.A N HIS 218.A O no hydrogen 2.823 N/A THR 93.A OG1 GLU 95.A O no hydrogen 2.741 N/A THR 93.A OG1 THR 99.A OG1 no hydrogen 2.687 N/A ARG 97.A NE ASP 591.A OD1 no hydrogen 3.328 N/A ARG 97.A NE ASP 591.A OD2 no hydrogen 3.055 N/A ARG 97.A NH2 ASP 591.A OD1 no hydrogen 2.788 N/A ASP 98.A N GLU 95.A O no hydrogen 3.264 N/A THR 99.A N GLN 96.A O no hydrogen 2.827 N/A THR 99.A OG1 THR 93.A OG1 no hydrogen 2.687 N/A VAL 100.A N GLN 96.A O no hydrogen 3.021 N/A LYS 104.A N ASP 586.A O no hydrogen 2.876 N/A LYS 104.A NZ GLU 585.A OE2 no hydrogen 3.144 N/A SER 105.A OG ASP 586.A OD1 no hydrogen 2.850 N/A SER 105.A OG ASP 586.A OD2 no hydrogen 3.018 N/A GLY 106.A N PRO 103.A O no hydrogen 3.377 N/A GLN 109.A N GLN 587.A OE1 no hydrogen 2.648 N/A LEU 110.A N SER 108.A OG no hydrogen 3.193 N/A TRP 113.A NE1 THR 93.A O no hydrogen 2.786 N/A MET 114.A N ILE 91.A O no hydrogen 2.982 N/A SER 115.A OG GLU 117.A OE1 no hydrogen 3.384 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.772 N/A ASP 118.A N SER 115.A OG no hydrogen 2.943 N/A PHE 119.A N SER 115.A O no hydrogen 3.001 N/A GLU 120.A N GLU 116.A O no hydrogen 2.966 N/A LYS 121.A N GLU 117.A O no hydrogen 3.365 N/A ALA 122.A N ASP 118.A O no hydrogen 3.066 N/A PHE 123.A N PHE 119.A O no hydrogen 2.693 N/A ASN 124.A N GLU 120.A O no hydrogen 2.925 N/A ALA 125.A N LYS 121.A O no hydrogen 3.039 N/A ARG 126.A N PHE 123.A O no hydrogen 3.003 N/A ARG 126.A NE LEU 213.A O no hydrogen 2.749 N/A ARG 126.A NH1 ALA 122.A O no hydrogen 3.021 N/A PHE 127.A N PHE 123.A O no hydrogen 2.993 N/A GLY 129.A N LEU 34.A O no hydrogen 2.791 N/A CYS 130.A N PHE 127.A O no hydrogen 2.913 N/A CYS 130.A SG PHE 127.A O no hydrogen 3.226 N/A CYS 130.A SG SER 192.A OG no hydrogen 3.354 N/A MET 131.A N CYS 35.A O no hydrogen 2.796 N/A LYS 132.A N GLY 129.A O no hydrogen 3.167 N/A ARG 134.A N MET 131.A O no hydrogen 2.955 N/A ARG 134.A NE CYS 195.A O no hydrogen 2.915 N/A ARG 134.A NH2 CYS 195.A O no hydrogen 2.906 N/A MET 136.A N TYR 39.A O no hydrogen 2.684 N/A TYR 137.A N THR 158.A O no hydrogen 2.673 N/A VAL 138.A N HIS 41.A O no hydrogen 2.726 N/A ILE 139.A N GLU 156.A O no hydrogen 2.819 N/A PHE 141.A N GLY 154.A O no hydrogen 3.018 N/A SER 142.A N ARG 172.A O no hydrogen 2.822 N/A SER 142.A OG GLY 144.A O no hydrogen 3.058 N/A MET 143.A N LYS 152.A O no hydrogen 2.732 N/A SER 148.A N PRO 145.A O no hydrogen 2.880 N/A SER 148.A OG PRO 420.A O no hydrogen 2.723 N/A LEU 150.A N SER 148.A OG no hydrogen 3.020 N/A ALA 151.A N SER 148.A O no hydrogen 3.121 N/A LYS 152.A N MET 143.A O no hydrogen 3.060 N/A LYS 152.A NZ GLU 255.A OE1 no hydrogen 2.847 N/A GLY 154.A N PHE 141.A O no hydrogen 2.878 N/A ILE 155.A N ILE 187.A O no hydrogen 3.011 N/A GLU 156.A N ILE 139.A O no hydrogen 2.871 N/A LEU 157.A N CYS 189.A O no hydrogen 2.753 N/A THR 158.A N TYR 137.A O no hydrogen 2.967 N/A THR 158.A OG1 HIS 191.A ND1 no hydrogen 2.850 N/A SER 160.A N THR 158.A OG1 no hydrogen 3.115 N/A TYR 162.A OH THR 355.A OG1 no hydrogen 2.582 N/A VAL 163.A N SER 160.A OG no hydrogen 3.061 N/A VAL 164.A N SER 160.A O no hydrogen 3.237 N/A ALA 165.A N PRO 161.A O no hydrogen 2.998 N/A SER 166.A N TYR 162.A O no hydrogen 2.964 N/A SER 166.A OG TYR 162.A O no hydrogen 2.926 N/A MET 167.A N VAL 163.A O no hydrogen 2.734 N/A ARG 168.A N VAL 164.A O no hydrogen 3.009 N/A ARG 168.A NE GLY 45.A O no hydrogen 3.154 N/A ARG 168.A NH2 GLY 45.A O no hydrogen 3.137 N/A ILE 169.A N ALA 165.A O no hydrogen 3.433 N/A MET 170.A N SER 166.A O no hydrogen 3.019 N/A THR 171.A N MET 167.A O no hydrogen 2.928 N/A THR 171.A OG1 MET 167.A O no hydrogen 2.744 N/A ARG 172.A N SER 142.A O no hydrogen 3.375 N/A ARG 172.A NH1 GLU 326.A O no hydrogen 2.852 N/A ARG 172.A NH2 GLU 418.A OE1 no hydrogen 2.942 N/A GLY 174.A N PRO 140.A O no hydrogen 2.992 N/A THR 175.A N ASP 44.A O no hydrogen 2.979 N/A VAL 177.A N GLY 174.A O no hydrogen 3.045 N/A GLU 179.A N THR 175.A O no hydrogen 3.051 N/A ALA 180.A N SER 176.A O no hydrogen 2.939 N/A LEU 181.A N VAL 177.A O no hydrogen 2.785 N/A GLY 182.A N LEU 178.A O no hydrogen 3.234 N/A GLY 184.A N LEU 181.A O no hydrogen 3.064 N/A ILE 187.A N ILE 153.A O no hydrogen 2.976 N/A LYS 188.A N ARG 223.A O no hydrogen 2.961 N/A CYS 189.A N ILE 155.A O no hydrogen 2.804 N/A CYS 189.A SG ILE 187.A O no hydrogen 3.846 N/A LEU 190.A N ILE 225.A O no hydrogen 2.805 N/A HIS 191.A N LEU 157.A O no hydrogen 2.802 N/A HIS 191.A ND1 THR 158.A OG1 no hydrogen 2.850 N/A HIS 191.A NE2 SER 230.A O no hydrogen 2.663 N/A SER 192.A N SER 227.A O no hydrogen 3.088 N/A SER 192.A OG ASP 159.A OD2 no hydrogen 2.681 N/A VAL 193.A N ASP 159.A OD1 no hydrogen 2.904 N/A GLY 194.A N SER 192.A OG no hydrogen 3.118 N/A CYS 195.A SG VAL 193.A O no hydrogen 3.803 N/A CYS 195.A SG CYS 209.A O no hydrogen 2.961 N/A LEU 197.A N LYS 132.A O no hydrogen 2.806 N/A LYS 201.A NZ GLU 212.A OE2 no hydrogen 3.483 N/A TRP 207.A N VAL 204.A O no hydrogen 3.061 N/A TRP 207.A NE1 ASP 81.A OD2 no hydrogen 2.810 N/A CYS 209.A SG ASP 78.A OD2 no hydrogen 3.520 N/A CYS 209.A SG TRP 207.A O no hydrogen 3.854 N/A ASN 210.A N GLY 229.A O no hydrogen 2.712 N/A GLU 212.A N GLU 212.A OE2 no hydrogen 2.757 N/A LEU 213.A N ASN 210.A O no hydrogen 3.162 N/A THR 214.A N PRO 211.A O no hydrogen 3.228 N/A THR 214.A OG1 ASN 210.A O no hydrogen 3.065 N/A THR 214.A OG1 PRO 211.A O no hydrogen 3.461 N/A LEU 215.A N PHE 228.A O no hydrogen 2.951 N/A ILE 216.A N LYS 88.A O no hydrogen 2.864 N/A ALA 217.A N ILE 226.A O no hydrogen 2.781 N/A HIS 218.A N VAL 90.A O no hydrogen 2.985 N/A HIS 218.A ND1 VAL 90.A O no hydrogen 2.896 N/A LEU 219.A N GLU 224.A O no hydrogen 2.818 N/A ARG 222.A N LEU 219.A O no hydrogen 2.916 N/A ARG 222.A NE GLU 224.A OE1 no hydrogen 3.447 N/A ARG 222.A NE GLU 224.A OE2 no hydrogen 3.418 N/A ARG 222.A NH2 GLU 224.A OE1 no hydrogen 3.095 N/A ARG 223.A N PRO 220.A O no hydrogen 3.251 N/A ARG 223.A NH1 PRO 220.A O no hydrogen 2.920 N/A ARG 223.A NH1 GLU 254.A OE1 no hydrogen 3.386 N/A ARG 223.A NH2 GLU 254.A OE2 no hydrogen 3.030 N/A GLU 224.A N LEU 219.A O no hydrogen 3.174 N/A ILE 225.A N LYS 188.A O no hydrogen 2.693 N/A ILE 226.A N ALA 217.A O no hydrogen 2.924 N/A SER 227.A N LEU 190.A O no hydrogen 2.817 N/A SER 227.A OG ASN 235.A O no hydrogen 2.506 N/A PHE 228.A N LEU 215.A O no hydrogen 2.816 N/A GLY 229.A N SER 192.A O no hydrogen 2.844 N/A SER 230.A OG ASP 81.A OD1 no hydrogen 2.586 N/A SER 230.A OG ASP 81.A OD2 no hydrogen 3.546 N/A SER 230.A OG ASN 235.A OD1 no hydrogen 2.968 N/A GLY 231.A N ASP 81.A OD2 no hydrogen 2.907 N/A TYR 232.A N SER 230.A OG no hydrogen 3.198 N/A TYR 232.A OH ASN 400.A O no hydrogen 2.846 N/A ASN 235.A N TYR 232.A O no hydrogen 2.846 N/A SER 236.A N GLY 233.A O no hydrogen 3.038 N/A SER 236.A OG GLY 231.A O no hydrogen 2.906 N/A SER 236.A OG GLY 233.A O no hydrogen 3.466 N/A LEU 237.A N GLY 233.A O no hydrogen 2.734 N/A LEU 238.A N GLU 156.A OE1 no hydrogen 3.120 N/A LYS 240.A N LEU 237.A O no hydrogen 3.362 N/A LYS 240.A NZ ASP 308.A OD2 no hydrogen 2.595 N/A LYS 240.A NZ GLU 326.A OE2 no hydrogen 2.939 N/A LYS 241.A NZ ASP 308.A OD1 no hydrogen 3.209 N/A LYS 241.A NZ ASP 308.A OD2 no hydrogen 2.987 N/A CYS 242.A SG HIS 218.A NE2 no hydrogen 3.371 N/A CYS 242.A SG GLY 234.A O no hydrogen 3.714 N/A PHE 243.A N LEU 238.A O no hydrogen 3.017 N/A ALA 244.A N GLY 239.A O no hydrogen 2.934 N/A LEU 245.A N LYS 241.A O no hydrogen 3.094 N/A ARG 246.A N LYS 241.A O no hydrogen 2.987 N/A ARG 246.A NE PRO 472.A O no hydrogen 3.074 N/A ARG 246.A NH1 HIS 218.A NE2 no hydrogen 3.141 N/A ARG 246.A NH2 PRO 472.A O no hydrogen 3.049 N/A ILE 247.A N CYS 242.A O no hydrogen 2.913 N/A ALA 248.A N PHE 243.A O no hydrogen 2.857 N/A SER 249.A N LEU 245.A O no hydrogen 2.883 N/A SER 249.A OG LEU 245.A O no hydrogen 2.847 N/A SER 249.A OG ARG 246.A O no hydrogen 3.039 N/A ARG 250.A NE GLU 254.A OE1 no hydrogen 2.797 N/A ARG 250.A NH1 ASP 221.A OD1 no hydrogen 3.522 N/A ARG 250.A NH1 ASP 221.A OD2 no hydrogen 3.407 N/A ARG 250.A NH2 ASP 221.A OD2 no hydrogen 2.885 N/A ARG 250.A NH2 GLU 254.A OE1 no hydrogen 2.764 N/A LEU 251.A N ILE 247.A O no hydrogen 3.004 N/A ALA 252.A N ALA 248.A O no hydrogen 2.699 N/A LYS 253.A N SER 249.A O no hydrogen 2.920 N/A GLU 254.A N ARG 250.A O no hydrogen 3.067 N/A GLU 255.A N LEU 251.A O no hydrogen 2.879 N/A GLU 255.A N ALA 252.A O no hydrogen 3.177 N/A GLY 256.A N ALA 252.A O no hydrogen 2.851 N/A TRP 257.A N ALA 252.A O no hydrogen 3.076 N/A TRP 257.A NE1 GLU 255.A OE1 no hydrogen 2.754 N/A LEU 258.A N MET 312.A O no hydrogen 2.791 N/A GLU 260.A N ALA 310.A O no hydrogen 2.866 N/A HIS 261.A ND1 ALA 469.A O no hydrogen 2.840 N/A HIS 261.A NE2 ASP 308.A OD1 no hydrogen 2.988 N/A LEU 263.A N ALA 279.A O no hydrogen 3.001 N/A ILE 264.A N GLY 306.A O no hydrogen 2.967 N/A LEU 265.A N LEU 277.A O no hydrogen 2.935 N/A GLY 266.A N GLU 303.A O no hydrogen 2.780 N/A ILE 267.A N LYS 275.A O no hydrogen 2.735 N/A THR 268.A N LYS 301.A O no hydrogen 2.845 N/A ASN 269.A N LYS 273.A O no hydrogen 2.953 N/A GLU 271.A N ASN 269.A OD1 no hydrogen 2.842 N/A GLY 272.A N ASN 269.A O no hydrogen 3.073 N/A LYS 273.A N ASN 269.A OD1 no hydrogen 3.084 N/A LYS 273.A NZ GLU 533.A OE1.A no hydrogen 2.674 N/A LYS 273.A NZ GLU 533.A OE2.A no hydrogen 2.783 N/A LYS 274.A NZ TYR 276.A OH no hydrogen 3.107 N/A LYS 274.A NZ GLU 303.A OE1 no hydrogen 3.046 N/A LYS 274.A NZ ASP 414.A OD1 no hydrogen 2.756 N/A LYS 275.A N ILE 267.A O no hydrogen 2.819 N/A LYS 275.A NZ GLU 426.A OE1 no hydrogen 2.798 N/A LYS 275.A NZ GLU 533.A OE2.A no hydrogen 2.709 N/A TYR 276.A OH ASP 414.A OD2 no hydrogen 2.645 N/A LEU 277.A N LEU 265.A O no hydrogen 2.857 N/A ALA 278.A N GLY 427.A O no hydrogen 2.961 N/A ALA 279.A N LEU 263.A O no hydrogen 3.162 N/A ALA 280.A N ILE 429.A O no hydrogen 2.782 N/A ALA 284.A N PRO 282.A O no hydrogen 2.773 N/A CYS 285.A SG PRO 282.A O no hydrogen 3.749 N/A CYS 285.A SG SER 459.A OG no hydrogen 3.486 N/A LYS 287.A NZ HIS 261.A O no hydrogen 3.245 N/A LYS 287.A NZ ASP 308.A O no hydrogen 2.677 N/A LYS 287.A NZ ASP 308.A OD1 no hydrogen 3.356 N/A THR 288.A OG1 ASP 307.A OD2 no hydrogen 2.978 N/A ASN 289.A ND2 THR 340.A O no hydrogen 3.615 N/A LEU 290.A N GLY 286.A O no hydrogen 3.066 N/A ALA 291.A N LYS 287.A O no hydrogen 3.023 N/A MET 292.A N THR 288.A O no hydrogen 3.142 N/A MET 293.A N LEU 290.A O no hydrogen 3.376 N/A THR 296.A N GLY 519.A O no hydrogen 3.360 N/A THR 296.A OG1 GLY 519.A O no hydrogen 3.403 N/A THR 296.A OG1 GLU 520.A OE1 no hydrogen 2.769 N/A TRP 300.A N LEU 297.A O no hydrogen 3.299 N/A LYS 301.A N THR 268.A O no hydrogen 2.976 N/A GLU 303.A N GLY 266.A O no hydrogen 2.760 N/A CYS 304.A N ILE 412.A O no hydrogen 2.951 N/A VAL 305.A N ILE 264.A O no hydrogen 2.931 N/A GLY 306.A N ILE 264.A O no hydrogen 3.068 N/A ALA 310.A N GLU 260.A O no hydrogen 2.885 N/A TRP 311.A N ILE 323.A O no hydrogen 3.002 N/A TRP 311.A NE1 ALA 244.A O no hydrogen 3.022 N/A MET 312.A N LEU 258.A O no hydrogen 2.780 N/A LYS 313.A N ARG 321.A O no hydrogen 2.796 N/A ASP 315.A N ASN 319.A O no hydrogen 2.938 N/A GLN 317.A N ASP 315.A OD1 no hydrogen 2.964 N/A GLY 318.A N ASP 315.A O no hydrogen 2.965 N/A ASN 319.A N ASP 315.A OD1 no hydrogen 2.956 N/A ASN 319.A ND2 ASP 315.A OD2 no hydrogen 3.307 N/A ARG 321.A N LYS 313.A O no hydrogen 2.982 N/A ARG 321.A NE ASP 315.A OD2 no hydrogen 3.092 N/A ARG 321.A NH1 GLY 422.A O no hydrogen 3.064 N/A ALA 322.A N VAL 423.A O no hydrogen 2.815 N/A ILE 323.A N TRP 311.A O no hydrogen 2.930 N/A ASN 324.A ND2 VAL 305.A O no hydrogen 3.003 N/A GLU 326.A N ASN 324.A OD1 no hydrogen 2.956 N/A ASN 327.A N MET 170.A O no hydrogen 2.752 N/A ASN 327.A ND2 THR 171.A O no hydrogen 2.985 N/A PHE 329.A N THR 405.A O no hydrogen 2.730 N/A GLY 331.A N PHE 403.A O no hydrogen 3.108 N/A ALA 333.A N SER 401.A O no hydrogen 2.889 N/A GLY 335.A N GLU 368.A O no hydrogen 2.828 N/A THR 336.A N ALA 333.A O no hydrogen 3.029 N/A THR 336.A OG1 ALA 333.A O no hydrogen 2.634 N/A SER 337.A N.A THR 340.A OG1 no hydrogen 2.976 N/A SER 337.A N.B THR 340.A OG1 no hydrogen 2.971 N/A SER 337.A OG.A THR 340.A OG1 no hydrogen 3.372 N/A SER 337.A OG.A ASP 371.A OD2.A no hydrogen 2.629 N/A SER 337.A OG.B ASP 371.A OD2.A no hydrogen 2.482 N/A THR 340.A N SER 337.A OG.A no hydrogen 3.122 N/A THR 340.A OG1 GLY 335.A O no hydrogen 2.845 N/A THR 340.A OG1 SER 337.A O.A no hydrogen 3.369 N/A THR 340.A OG1 SER 337.A OG.A no hydrogen 3.372 N/A ASN 341.A N SER 337.A O.A no hydrogen 2.744 N/A ASN 341.A N SER 337.A O.B no hydrogen 2.943 N/A ASN 343.A ND2 MET 292.A O no hydrogen 2.960 N/A ALA 344.A N ASN 341.A OD1 no hydrogen 3.204 N/A ILE 345.A N ASN 341.A O no hydrogen 3.307 N/A LYS 346.A N PRO 342.A O no hydrogen 3.102 N/A THR 347.A N ASN 343.A O no hydrogen 3.080 N/A THR 347.A OG1 ASN 343.A O no hydrogen 2.578 N/A ILE 348.A N ALA 344.A O no hydrogen 3.109 N/A ASN 351.A N ASP 70.A O no hydrogen 2.898 N/A ASN 351.A ND2 GLN 409.A OE1 no hydrogen 2.846 N/A THR 352.A OG1 LYS 350.A O no hydrogen 2.829 N/A THR 352.A OG1 THR 405.A OG1 no hydrogen 2.778 N/A ILE 353.A N CYS 404.A O no hydrogen 3.136 N/A PHE 354.A N TRP 73.A O no hydrogen 2.693 N/A THR 355.A N ARG 402.A O no hydrogen 2.868 N/A THR 355.A OG1 TYR 162.A OH no hydrogen 2.582 N/A ASN 356.A N ALA 75.A O no hydrogen 2.790 N/A ASN 356.A ND2 THR 77.A OG1 no hydrogen 3.075 N/A ALA 358.A N TYR 366.A O no hydrogen 2.871 N/A GLU 359.A N THR 381.A O no hydrogen 2.777 N/A THR 360.A N GLY 364.A O no hydrogen 2.822 N/A THR 360.A OG1 ASP 362.A OD1 no hydrogen 2.884 N/A SER 361.A N THR 379.A O no hydrogen 2.901 N/A GLY 363.A N THR 360.A O no hydrogen 2.888 N/A GLY 364.A N THR 360.A OG1 no hydrogen 2.954 N/A VAL 365.A N TYR 69.A OH no hydrogen 3.172 N/A TYR 366.A N ALA 358.A O no hydrogen 2.874 N/A TYR 366.A OH.A GLU 372.A O no hydrogen 2.634 N/A TRP 367.A NE1 THR 336.A O no hydrogen 2.976 N/A ILE 370.A N TRP 367.A O no hydrogen 3.225 N/A VAL 378.A N ALA 375.A O no hydrogen 3.088 N/A THR 379.A N SER 361.A OG no hydrogen 3.024 N/A THR 381.A N GLU 359.A O no hydrogen 2.811 N/A SER 382.A N LYS 386.A O no hydrogen 2.840 N/A SER 382.A OG LYS 386.A O no hydrogen 3.453 N/A TRP 383.A N CYS 396.A O no hydrogen 2.714 N/A LYS 384.A N SER 382.A OG no hydrogen 3.085 N/A ASN 385.A N SER 382.A O no hydrogen 3.100 N/A TRP 388.A N ILE 380.A O no hydrogen 2.817 N/A TRP 388.A NE1 GLU 394.A O no hydrogen 2.658 N/A ARG 389.A N ASP 392.A OD2 no hydrogen 2.786 N/A ASP 392.A N ARG 389.A O no hydrogen 3.059 N/A CYS 396.A N GLU 368.A OE1 no hydrogen 2.962 N/A CYS 396.A SG GLU 368.A OE1 no hydrogen 3.322 N/A CYS 396.A SG GLU 368.A OE2 no hydrogen 3.708 N/A ALA 397.A N GLU 368.A OE2 no hydrogen 3.267 N/A HIS 398.A N ASN 356.A O no hydrogen 3.161 N/A ASN 400.A ND2 VAL 82.A O no hydrogen 2.844 N/A SER 401.A N HIS 398.A O no hydrogen 2.915 N/A SER 401.A OG HIS 398.A O no hydrogen 2.887 N/A ARG 402.A N THR 355.A O no hydrogen 2.962 N/A ARG 402.A NE ASN 400.A O no hydrogen 3.389 N/A ARG 402.A NE ASN 400.A OD1 no hydrogen 3.330 N/A ARG 402.A NH1 PHE 330.A O no hydrogen 2.960 N/A ARG 402.A NH2 ASN 400.A OD1 no hydrogen 2.811 N/A PHE 403.A N GLY 331.A O no hydrogen 3.053 N/A CYS 404.A N ILE 353.A O no hydrogen 2.725 N/A CYS 404.A SG SER 166.A O no hydrogen 3.971 N/A THR 405.A N PHE 329.A O no hydrogen 2.910 N/A THR 405.A OG1 THR 347.A O no hydrogen 3.288 N/A THR 405.A OG1 THR 352.A OG1 no hydrogen 2.778 N/A ALA 407.A N ASN 327.A O no hydrogen 3.162 N/A GLN 409.A N PRO 406.A O no hydrogen 3.289 N/A GLN 409.A NE2 THR 347.A O no hydrogen 2.952 N/A GLN 409.A NE2 LYS 350.A O no hydrogen 2.926 N/A CYS 410.A N ALA 407.A O no hydrogen 3.074 N/A ILE 413.A N CYS 410.A O no hydrogen 3.015 N/A ASP 414.A N CYS 304.A O no hydrogen 2.885 N/A ALA 416.A N ASP 414.A OD2 no hydrogen 3.087 N/A TRP 417.A N ASP 414.A O no hydrogen 2.887 N/A SER 419.A N ALA 416.A O no hydrogen 3.024 N/A SER 419.A OG.A ALA 416.A O no hydrogen 3.377 N/A SER 419.A OG.B GLU 421.A OE1 no hydrogen 2.675 N/A SER 419.A OG.B GLU 421.A OE2 no hydrogen 2.905 N/A GLU 421.A N GLU 421.A OE1 no hydrogen 2.643 N/A GLY 422.A N SER 419.A O no hydrogen 3.092 N/A VAL 423.A N ALA 322.A O no hydrogen 2.851 N/A ILE 425.A N LEU 320.A O no hydrogen 2.718 N/A GLU 426.A N TYR 276.A O no hydrogen 2.960 N/A ILE 428.A N LYS 498.A O no hydrogen 2.873 N/A ILE 429.A N ALA 278.A O no hydrogen 2.683 N/A PHE 430.A N PHE 500.A O no hydrogen 2.861 N/A ARG 433.A N SER 459.A OG no hydrogen 2.758 N/A ARG 433.A NH1 ALA 284.A O no hydrogen 3.049 N/A ARG 434.A NH1 GLU 576.A OE2 no hydrogen 2.921 N/A ARG 434.A NH2 GLU 576.A OE1 no hydrogen 2.847 N/A ARG 434.A NH2 GLU 576.A OE2 no hydrogen 3.564 N/A LEU 440.A N LEU 565.A O no hydrogen 3.329 N/A TYR 442.A N HIS 501.A O no hydrogen 2.944 N/A GLU 443.A N TYR 545.A O no hydrogen 2.691 N/A ALA 444.A N ILE 499.A O no hydrogen 2.965 N/A LEU 445.A N HIS 449.A ND1 no hydrogen 2.851 N/A SER 446.A OG GLN 448.A OE1.A no hydrogen 3.459 N/A TRP 447.A NE1 TRP 485.A O no hydrogen 2.869 N/A HIS 449.A N SER 446.A OG no hydrogen 2.938 N/A GLY 450.A N SER 446.A O no hydrogen 2.839 N/A VAL 451.A N TRP 447.A O no hydrogen 2.850 N/A PHE 452.A N GLN 448.A O no hydrogen 3.163 N/A VAL 453.A N HIS 449.A O no hydrogen 2.854 N/A GLY 454.A N GLY 450.A O no hydrogen 3.134 N/A ALA 455.A N VAL 451.A O no hydrogen 2.910 N/A ALA 456.A N PHE 452.A O no hydrogen 2.786 N/A ALA 456.A N VAL 453.A O no hydrogen 3.238 N/A MET 457.A N GLY 454.A O no hydrogen 3.202 N/A ARG 458.A NH1 GLU 576.A OE2 no hydrogen 3.007 N/A SER 459.A N MET 464.A O no hydrogen 2.876 N/A GLU 460.A N ARG 433.A O no hydrogen 2.857 N/A ALA 461.A N VAL 462.A O no hydrogen 2.771 N/A MET 464.A N SER 459.A O no hydrogen 3.072 N/A HIS 465.A NE2 GLU 579.A OE1 no hydrogen 2.853 N/A HIS 465.A NE2 GLU 579.A OE2 no hydrogen 2.664 N/A ASP 466.A N MET 457.A O no hydrogen 2.886 N/A PHE 468.A N GLY 454.A O no hydrogen 3.007 N/A ALA 469.A N ASP 466.A O no hydrogen 3.097 N/A MET 470.A N PRO 467.A O no hydrogen 2.895 N/A ARG 471.A N ASP 466.A OD1 no hydrogen 3.018 N/A ARG 471.A NH1 HIS 465.A O no hydrogen 2.766 N/A PHE 473.A N MET 470.A O no hydrogen 2.758 N/A GLY 475.A N SER 249.A OG no hydrogen 2.910 N/A ASN 477.A N ASP 98.A O no hydrogen 2.978 N/A ASN 477.A ND2 ARG 97.A O no hydrogen 2.765 N/A ASN 477.A ND2 ASP 591.A OD2 no hydrogen 2.772 N/A LYS 480.A N ASN 477.A OD1 no hydrogen 3.100 N/A TYR 481.A N ASN 477.A O no hydrogen 2.912 N/A TYR 481.A OH GLU 260.A OE1 no hydrogen 2.663 N/A TYR 481.A OH GLU 260.A OE2 no hydrogen 3.355 N/A LEU 482.A N PHE 478.A O no hydrogen 2.948 N/A ALA 483.A N GLY 479.A O no hydrogen 2.972 N/A HIS 484.A N LYS 480.A O no hydrogen 2.858 N/A HIS 484.A NE2 TRP 257.A O no hydrogen 2.765 N/A TRP 485.A N TYR 481.A O no hydrogen 3.027 N/A TRP 485.A NE1 GLU 260.A OE2 no hydrogen 2.927 N/A LEU 486.A N LEU 482.A O no hydrogen 2.944 N/A SER 487.A N ALA 483.A O no hydrogen 2.960 N/A SER 487.A OG HIS 484.A O no hydrogen 2.612 N/A MET 488.A N TRP 485.A O no hydrogen 3.331 N/A ALA 489.A N LEU 486.A O no hydrogen 3.124 N/A HIS 490.A N SER 487.A O no hydrogen 2.954 N/A ARG 491.A NH2 GLY 256.A O no hydrogen 3.202 N/A ALA 494.A N ARG 491.A O no hydrogen 3.407 N/A LYS 495.A N GLY 318.A O no hydrogen 2.694 N/A LYS 495.A NZ ASN 319.A OD1 no hydrogen 3.116 N/A LYS 498.A N GLU 426.A O no hydrogen 3.320 N/A LYS 498.A NZ GLU 443.A OE2 no hydrogen 2.700 N/A PHE 500.A N ILE 428.A O no hydrogen 2.924 N/A HIS 501.A N TYR 442.A O no hydrogen 2.788 N/A VAL 502.A N PHE 430.A O no hydrogen 2.781 N/A ASN 503.A N LEU 440.A O no hydrogen 2.819 N/A ASN 503.A ND2 GLY 432.A O no hydrogen 2.985 N/A ARG 506.A NH1 LEU 565.A O no hydrogen 3.258 N/A ARG 506.A NH1 GLY 567.A O no hydrogen 2.727 N/A ARG 506.A NH2 GLY 567.A O no hydrogen 2.978 N/A LYS 507.A N PRO 435.A O no hydrogen 2.790 N/A ASP 508.A N LYS 512.A O no hydrogen 2.851 N/A ASN 510.A N ASP 508.A OD2 no hydrogen 3.216 N/A LYS 512.A N ASP 508.A OD2 no hydrogen 3.041 N/A LEU 514.A N ARG 506.A O no hydrogen 2.870 N/A TRP 515.A NE1 ASN 521.A OD1 no hydrogen 2.740 N/A GLU 520.A N GLY 517.A O no hydrogen 3.027 N/A ASN 521.A N PHE 518.A O no hydrogen 3.062 N/A SER 522.A N GLY 519.A O no hydrogen 3.245 N/A SER 522.A OG GLY 519.A O no hydrogen 2.756 N/A ARG 523.A N GLU 520.A O no hydrogen 2.967 N/A ARG 523.A NE GLU 520.A OE1 no hydrogen 2.899 N/A ARG 523.A NH1 ASN 553.A O no hydrogen 2.850 N/A ARG 523.A NH1 LYS 555.A O no hydrogen 2.835 N/A ARG 523.A NH2 GLU 520.A OE1 no hydrogen 3.142 N/A ARG 523.A NH2 LYS 555.A O no hydrogen 2.761 N/A VAL 524.A N ASN 521.A O no hydrogen 3.035 N/A LEU 525.A N ASN 521.A O no hydrogen 3.108 N/A GLU 526.A N SER 522.A O no hydrogen 2.918 N/A TRP 527.A NE1 SER 537.A O no hydrogen 2.904 N/A MET 528.A N VAL 524.A O no hydrogen 3.063 N/A PHE 529.A N LEU 525.A O no hydrogen 2.837 N/A GLY 530.A N GLU 526.A O no hydrogen 3.043 N/A ARG 531.A N TRP 527.A O no hydrogen 2.923 N/A ARG 531.A NE GLU 443.A OE1 no hydrogen 2.613 N/A ARG 531.A NH1 GLU 535.A O no hydrogen 3.072 N/A ARG 531.A NH2 GLU 443.A OE1 no hydrogen 3.362 N/A ARG 531.A NH2 GLU 443.A OE2 no hydrogen 2.826 N/A ILE 532.A N MET 528.A O no hydrogen 2.879 N/A GLU 533.A N PHE 529.A O no hydrogen 3.070 N/A GLY 534.A N ARG 531.A O no hydrogen 3.032 N/A GLU 535.A N GLY 530.A O no hydrogen 3.082 N/A LYS 539.A N VAL 546.A O no hydrogen 2.673 N/A THR 541.A N GLY 544.A O no hydrogen 2.984 N/A THR 541.A OG1 GLY 544.A O no hydrogen 2.664 N/A ILE 543.A N THR 541.A OG1 no hydrogen 3.338 N/A GLY 544.A N THR 541.A O no hydrogen 3.139 N/A TYR 545.A N GLU 443.A O no hydrogen 2.829 N/A VAL 546.A N LYS 539.A O no hydrogen 2.848 N/A LYS 548.A N SER 537.A O no hydrogen 2.977 N/A LYS 548.A NZ ASP 536.A O no hydrogen 2.862 N/A LYS 548.A NZ ASP 536.A OD1 no hydrogen 3.313 N/A ALA 551.A N LYS 548.A O no hydrogen 3.106 N/A LYS 555.A N ASN 553.A OD1 no hydrogen 3.107 N/A LEU 557.A N LEU 554.A O no hydrogen 3.259 N/A VAL 562.A N VAL 560.A O no hydrogen 2.798 N/A GLU 564.A N ASN 561.A OD1 no hydrogen 3.496 N/A LEU 565.A N ASN 561.A O no hydrogen 2.887 N/A PHE 566.A N VAL 562.A O no hydrogen 3.021 N/A GLY 567.A N GLU 564.A O no hydrogen 3.370 N/A LYS 570.A NZ SER 608.A O no hydrogen 3.205 N/A LYS 570.A NZ MET 610.A O no hydrogen 2.834 N/A PHE 572.A N SER 569.A OG no hydrogen 3.141 N/A TRP 573.A N SER 569.A O no hydrogen 3.068 N/A TRP 573.A NE1 GLY 437.A O no hydrogen 3.026 N/A GLU 574.A N LYS 570.A O no hydrogen 2.778 N/A LYS 575.A N GLU 571.A O no hydrogen 3.324 N/A GLU 576.A N PHE 572.A O no hydrogen 2.877 N/A VAL 577.A N TRP 573.A O no hydrogen 2.868 N/A GLU 578.A N GLU 574.A O no hydrogen 3.161 N/A GLU 579.A N LYS 575.A O no hydrogen 3.052 N/A ILE 580.A N GLU 576.A O no hydrogen 2.966 N/A ASP 581.A N VAL 577.A O no hydrogen 2.863 N/A LYS 582.A N GLU 578.A O no hydrogen 2.940 N/A TYR 583.A N GLU 579.A O no hydrogen 2.946 N/A LEU 584.A N ILE 580.A O no hydrogen 2.899 N/A GLU 585.A N ASP 581.A O no hydrogen 2.953 N/A ASP 586.A N LYS 582.A O no hydrogen 3.131 N/A GLN 587.A N TYR 583.A O no hydrogen 2.850 N/A GLN 587.A NE2 GLN 107.A O no hydrogen 3.018 N/A GLN 587.A NE2 ASP 586.A OD1 no hydrogen 3.060 N/A VAL 588.A N LEU 584.A O no hydrogen 2.882 N/A ASN 589.A N LEU 584.A O no hydrogen 3.019 N/A ASN 589.A ND2.B ILE 102.A O no hydrogen 2.583 N/A ASN 589.A ND2.B ASP 586.A O no hydrogen 2.885 N/A ALA 590.A N ASN 589.A OD1.B no hydrogen 2.671 N/A ASP 591.A N VAL 588.A O no hydrogen 3.100 N/A LEU 592.A N ASN 589.A O no hydrogen 3.189 N/A GLU 595.A N GLU 595.A OE1 no hydrogen 2.811 N/A ILE 596.A N PRO 593.A O no hydrogen 2.988 N/A GLU 597.A N PRO 593.A O no hydrogen 3.207 N/A ARG 598.A N TYR 594.A O no hydrogen 2.870 N/A GLU 599.A N GLU 595.A O no hydrogen 3.024 N/A LEU 600.A N ILE 596.A O no hydrogen 2.976 N/A ARG 601.A N GLU 597.A O no hydrogen 2.944 N/A ARG 601.A NE.A GLU 597.A OE2 no hydrogen 2.619 N/A ALA 602.A N ARG 598.A O no hydrogen 2.889 N/A LEU 603.A N GLU 599.A O no hydrogen 2.903 N/A LYS 604.A N LEU 600.A O no hydrogen 2.950 N/A LYS 604.A NZ.B ASP 581.A OD2 no hydrogen 2.618 N/A GLN 605.A N ARG 601.A O no hydrogen 3.004 N/A ARG 606.A N ALA 602.A O no hydrogen 2.952 N/A ARG 606.A NE PRO 542.A O no hydrogen 2.528 N/A ARG 606.A NH2 PRO 542.A O no hydrogen 3.134 N/A ILE 607.A N LEU 603.A O no hydrogen 2.915 N/A SER 608.A N LYS 604.A O no hydrogen 2.947 N/A SER 608.A OG GLN 605.A O no hydrogen 2.628 N/A SER 608.A OG GLN 605.A OE1 no hydrogen 3.433 N/A GLN 609.A N ARG 606.A O no hydrogen 3.268 N/A MET 610.A N ILE 607.A O no hydrogen 3.326 N/A