Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5fh5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N GLU 27.A OE2 no hydrogen 2.920 N/A SER 7.A N ASP 5.A OD1 no hydrogen 2.847 N/A SER 7.A OG ASP 5.A OD1 no hydrogen 2.593 N/A LYS 9.A N PHE 6.A O no hydrogen 2.966 N/A LYS 9.A NZ GLU 36.A O no hydrogen 3.547 N/A VAL 10.A N SER 7.A O no hydrogen 3.216 N/A ILE 11.A N ILE 38.A O no hydrogen 2.803 N/A GLN 12.A NE2 ILE 40.A O no hydrogen 2.971 N/A GLN 12.A NE2 GLU 47.A OE1 no hydrogen 2.653 N/A ASP 16.A N SER 14.A OG no hydrogen 3.210 N/A SER 17.A N SER 14.A O no hydrogen 3.226 N/A LEU 18.A N LEU 15.A O no hydrogen 3.200 N/A ARG 23.A N PRO 19.A O no hydrogen 2.903 N/A ARG 23.A NE GLU 27.A OE1 no hydrogen 3.205 N/A ARG 23.A NH1 ASP 16.A OD1 no hydrogen 2.643 N/A ARG 23.A NH2 GLU 27.A OE2 no hydrogen 3.467 N/A LYS 24.A N GLN 20.A O no hydrogen 3.079 N/A LYS 24.A NZ GLU 21.A OE2 no hydrogen 2.912 N/A PHE 25.A N GLU 21.A O no hydrogen 3.109 N/A VAL 26.A N VAL 22.A O no hydrogen 2.945 N/A GLU 27.A N ARG 23.A O no hydrogen 2.833 N/A GLY 28.A N LYS 24.A O no hydrogen 2.933 N/A ASN 29.A N PHE 25.A O no hydrogen 3.167 N/A ALA 30.A N VAL 26.A O no hydrogen 2.891 N/A GLN 31.A N GLU 27.A O no hydrogen 3.075 N/A LEU 32.A N GLY 28.A O no hydrogen 3.070 N/A CYS 33.A N ASN 29.A O no hydrogen 2.747 N/A CYS 33.A SG PHE 125.A O no hydrogen 4.023 N/A GLN 34.A N ALA 30.A O no hydrogen 2.862 N/A GLU 36.A N ARG 132.A O no hydrogen 2.720 N/A TYR 37.A N ARG 132.A O no hydrogen 3.426 N/A ILE 38.A N LYS 9.A O no hydrogen 2.895 N/A HIS 39.A N MET 134.A O no hydrogen 2.988 N/A HIS 39.A NE2 GLU 47.A OE1 no hydrogen 2.913 N/A ILE 40.A N GLN 12.A O no hydrogen 2.962 N/A CYS 41.A N VAL 136.A O no hydrogen 2.912 N/A CYS 41.A SG VAL 136.A O no hydrogen 3.400 N/A ASP 42.A N GLU 47.A OE1 no hydrogen 2.937 N/A GLY 43.A N GLU 47.A OE2 no hydrogen 2.828 N/A SER 44.A N ASP 42.A OD1 no hydrogen 2.878 N/A SER 44.A OG ASP 42.A OD1 no hydrogen 2.864 N/A GLU 47.A N SER 44.A OG no hydrogen 3.025 N/A TYR 48.A N SER 44.A O no hydrogen 3.168 N/A GLY 49.A N GLU 45.A O no hydrogen 2.903 N/A ARG 50.A N GLU 46.A O no hydrogen 3.073 N/A LEU 51.A N GLU 47.A O no hydrogen 3.082 N/A LEU 52.A N TYR 48.A O no hydrogen 2.989 N/A ALA 53.A N GLY 49.A O no hydrogen 3.063 N/A HIS 54.A N ARG 50.A O no hydrogen 2.868 N/A MET 55.A N LEU 51.A O no hydrogen 2.973 N/A GLN 56.A N LEU 52.A O no hydrogen 2.840 N/A GLU 57.A N ALA 53.A O no hydrogen 2.762 N/A GLU 58.A N HIS 54.A O no hydrogen 3.060 N/A GLY 59.A N GLN 56.A O no hydrogen 3.220 N/A VAL 60.A N MET 55.A O no hydrogen 2.958 N/A ILE 61.A N MET 55.A O no hydrogen 3.497 N/A ARG 62.A N LEU 72.A O no hydrogen 2.824 N/A ARG 62.A NE GLU 357.A OE1 no hydrogen 2.750 N/A ARG 62.A NH2 GLU 357.A OE1 no hydrogen 3.398 N/A ARG 62.A NH2 GLU 357.A OE2 no hydrogen 2.867 N/A LEU 64.A N CYS 70.A O no hydrogen 2.874 N/A LYS 66.A N GLY 361.A O no hydrogen 3.147 N/A LYS 66.A NZ ASP 360.A OD2 no hydrogen 3.019 N/A TYR 67.A N LEU 64.A O no hydrogen 3.262 N/A ASN 69.A ND2 ASN 349.A OD1 no hydrogen 2.946 N/A CYS 70.A SG ASP 68.A O no hydrogen 3.709 N/A CYS 70.A SG ILE 346.A O no hydrogen 3.933 N/A TRP 71.A N THR 350.A O no hydrogen 3.003 N/A TRP 71.A NE1 ASN 69.A OD1 no hydrogen 2.850 N/A LEU 72.A N ARG 62.A O no hydrogen 2.788 N/A ALA 73.A N PHE 352.A O no hydrogen 2.909 N/A THR 75.A N ASN 354.A OD1 no hydrogen 2.809 N/A THR 75.A OG1 ASP 76.A O no hydrogen 2.867 N/A THR 75.A OG1 ASP 79.A O no hydrogen 3.004 N/A ARG 78.A N ASP 76.A OD1 no hydrogen 3.041 N/A ARG 78.A NE ASP 76.A OD1 no hydrogen 3.305 N/A ARG 78.A NE ASP 76.A OD2 no hydrogen 3.427 N/A ARG 78.A NH2 ASP 76.A OD2 no hydrogen 2.912 N/A ASP 79.A N ASP 76.A O no hydrogen 2.933 N/A ARG 82.A NH2 GLN 84.A OE1 no hydrogen 2.630 N/A ILE 83.A N ASN 233.A OD1 no hydrogen 3.282 N/A GLN 84.A NE2 PRO 472.A O no hydrogen 3.043 N/A LYS 86.A N ILE 83.A O no hydrogen 3.218 N/A THR 87.A N GLN 84.A O no hydrogen 3.023 N/A THR 87.A OG1 ILE 83.A O no hydrogen 2.746 N/A VAL 88.A N ILE 214.A O no hydrogen 2.888 N/A ILE 89.A N ARG 110.A O no hydrogen 2.884 N/A ILE 90.A N HIS 216.A O no hydrogen 2.835 N/A THR 91.A OG1 GLU 93.A O no hydrogen 2.710 N/A THR 91.A OG1 THR 97.A OG1 no hydrogen 2.828 N/A ARG 95.A NE ASP 591.A OD1 no hydrogen 3.129 N/A ARG 95.A NE ASP 591.A OD2 no hydrogen 2.968 N/A ARG 95.A NH2 ASP 591.A OD1 no hydrogen 2.607 N/A ASP 96.A N GLU 93.A O no hydrogen 3.123 N/A THR 97.A N GLN 94.A O no hydrogen 2.815 N/A THR 97.A OG1 THR 91.A OG1 no hydrogen 2.828 N/A VAL 98.A N GLN 94.A O no hydrogen 2.978 N/A LYS 102.A N ASP 586.A O no hydrogen 2.846 N/A SER 103.A N ASP 586.A OD1 no hydrogen 2.582 N/A SER 103.A OG ASP 586.A OD1 no hydrogen 2.824 N/A SER 103.A OG ASP 586.A OD2 no hydrogen 2.833 N/A GLY 104.A N PRO 101.A O no hydrogen 3.092 N/A GLN 107.A N GLN 587.A OE1 no hydrogen 2.689 N/A LEU 108.A N SER 106.A OG no hydrogen 3.027 N/A ARG 110.A NH1 SER 85.A O no hydrogen 2.619 N/A TRP 111.A NE1 THR 91.A O no hydrogen 2.952 N/A MET 112.A N ILE 89.A O no hydrogen 3.088 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.793 N/A ASP 116.A N SER 113.A OG no hydrogen 3.054 N/A PHE 117.A N SER 113.A O no hydrogen 2.975 N/A GLU 118.A N GLU 114.A O no hydrogen 2.927 N/A LYS 119.A N GLU 115.A O no hydrogen 3.239 N/A ALA 120.A N ASP 116.A O no hydrogen 3.047 N/A PHE 121.A N PHE 117.A O no hydrogen 2.798 N/A ASN 122.A N GLU 118.A O no hydrogen 2.970 N/A ALA 123.A N LYS 119.A O no hydrogen 3.047 N/A ARG 124.A N PHE 121.A O no hydrogen 3.115 N/A ARG 124.A NE LEU 211.A O no hydrogen 2.757 N/A ARG 124.A NH1 ALA 120.A O no hydrogen 2.983 N/A PHE 125.A N PHE 121.A O no hydrogen 3.008 N/A GLY 127.A N LEU 32.A O no hydrogen 2.880 N/A CYS 128.A N PHE 125.A O no hydrogen 2.917 N/A CYS 128.A SG PHE 125.A O no hydrogen 3.187 N/A CYS 128.A SG SER 190.A OG no hydrogen 3.417 N/A MET 129.A N CYS 33.A O no hydrogen 2.866 N/A LYS 130.A N GLY 127.A O no hydrogen 3.224 N/A ARG 132.A N MET 129.A O no hydrogen 2.825 N/A ARG 132.A NE CYS 193.A O no hydrogen 3.018 N/A ARG 132.A NH2 CYS 193.A O no hydrogen 2.770 N/A MET 134.A N TYR 37.A O no hydrogen 2.829 N/A TYR 135.A N THR 156.A O no hydrogen 2.744 N/A VAL 136.A N HIS 39.A O no hydrogen 2.827 N/A ILE 137.A N GLU 154.A O no hydrogen 2.714 N/A PHE 139.A N GLY 152.A O no hydrogen 2.926 N/A SER 140.A N ARG 170.A O no hydrogen 2.829 N/A SER 140.A OG GLY 142.A O no hydrogen 2.855 N/A MET 141.A N LYS 150.A O no hydrogen 2.816 N/A GLY 142.A N PRO 323.A O no hydrogen 2.868 N/A SER 146.A N PRO 143.A O no hydrogen 2.852 N/A SER 146.A OG PRO 418.A O no hydrogen 2.640 N/A LEU 148.A N SER 146.A OG no hydrogen 2.964 N/A ALA 149.A N SER 146.A O no hydrogen 3.148 N/A LYS 150.A N MET 141.A O no hydrogen 2.973 N/A LYS 150.A NZ GLU 253.A OE1 no hydrogen 2.952 N/A LYS 150.A NZ GLU 253.A OE2 no hydrogen 3.500 N/A GLY 152.A N PHE 139.A O no hydrogen 2.858 N/A ILE 153.A N ILE 185.A O no hydrogen 2.999 N/A GLU 154.A N ILE 137.A O no hydrogen 2.869 N/A LEU 155.A N CYS 187.A O no hydrogen 2.838 N/A THR 156.A N TYR 135.A O no hydrogen 3.113 N/A THR 156.A OG1 HIS 189.A ND1 no hydrogen 2.792 N/A SER 158.A N THR 156.A OG1 no hydrogen 3.094 N/A TYR 160.A OH THR 353.A OG1 no hydrogen 2.679 N/A VAL 161.A N SER 158.A OG no hydrogen 3.181 N/A VAL 162.A N SER 158.A O no hydrogen 3.190 N/A ALA 163.A N PRO 159.A O no hydrogen 2.957 N/A SER 164.A N TYR 160.A O no hydrogen 2.935 N/A SER 164.A OG TYR 160.A O no hydrogen 2.989 N/A MET 165.A N VAL 161.A O no hydrogen 2.809 N/A ARG 166.A N VAL 162.A O no hydrogen 2.981 N/A ARG 166.A NE GLY 43.A O no hydrogen 3.170 N/A ARG 166.A NH2 GLY 43.A O no hydrogen 3.064 N/A MET 168.A N SER 164.A O no hydrogen 3.007 N/A THR 169.A N MET 165.A O no hydrogen 2.897 N/A THR 169.A OG1 MET 165.A O no hydrogen 2.734 N/A ARG 170.A N SER 140.A O no hydrogen 3.386 N/A ARG 170.A NH2 GLU 416.A OE1 no hydrogen 2.892 N/A GLY 172.A N PRO 138.A O no hydrogen 2.998 N/A THR 173.A N ASP 42.A O no hydrogen 3.049 N/A VAL 175.A N GLY 172.A O no hydrogen 3.088 N/A GLU 177.A N THR 173.A O no hydrogen 3.070 N/A ALA 178.A N SER 174.A O no hydrogen 3.055 N/A LEU 179.A N VAL 175.A O no hydrogen 2.827 N/A GLY 180.A N LEU 176.A O no hydrogen 3.153 N/A GLY 182.A N LEU 179.A O no hydrogen 3.050 N/A ILE 185.A N ILE 151.A O no hydrogen 3.052 N/A LYS 186.A N ARG 221.A O no hydrogen 3.027 N/A CYS 187.A N ILE 153.A O no hydrogen 2.842 N/A CYS 187.A SG ILE 185.A O no hydrogen 3.788 N/A LEU 188.A N ILE 223.A O no hydrogen 2.831 N/A HIS 189.A N LEU 155.A O no hydrogen 2.759 N/A HIS 189.A ND1 THR 156.A OG1 no hydrogen 2.792 N/A HIS 189.A NE2 SER 228.A O no hydrogen 2.790 N/A SER 190.A N SER 225.A O no hydrogen 3.138 N/A SER 190.A OG ASP 157.A OD2 no hydrogen 2.736 N/A VAL 191.A N ASP 157.A OD1 no hydrogen 2.794 N/A GLY 192.A N SER 190.A OG no hydrogen 2.900 N/A CYS 193.A SG VAL 191.A O no hydrogen 3.886 N/A CYS 193.A SG CYS 207.A O no hydrogen 2.983 N/A LEU 195.A N LYS 130.A O no hydrogen 2.971 N/A ASN 203.A ND2 THR 75.A O no hydrogen 3.058 N/A TRP 205.A N VAL 202.A O no hydrogen 3.037 N/A TRP 205.A NE1 ASP 79.A OD2 no hydrogen 2.752 N/A CYS 207.A SG ASP 76.A OD2 no hydrogen 3.468 N/A CYS 207.A SG TRP 205.A O no hydrogen 3.884 N/A ASN 208.A N GLY 227.A O no hydrogen 2.664 N/A ASN 208.A ND2 GLY 192.A O no hydrogen 2.987 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.866 N/A LEU 211.A N ASN 208.A O no hydrogen 3.183 N/A THR 212.A N PRO 209.A O no hydrogen 3.252 N/A THR 212.A OG1 ASN 208.A O no hydrogen 2.802 N/A THR 212.A OG1 PRO 209.A O no hydrogen 3.531 N/A LEU 213.A N PHE 226.A O no hydrogen 2.880 N/A ILE 214.A N LYS 86.A O no hydrogen 2.774 N/A ALA 215.A N ILE 224.A O no hydrogen 2.794 N/A HIS 216.A N VAL 88.A O no hydrogen 2.784 N/A HIS 216.A ND1 VAL 88.A O no hydrogen 2.897 N/A LEU 217.A N GLU 222.A O no hydrogen 2.737 N/A ARG 220.A N LEU 217.A O no hydrogen 3.007 N/A ARG 220.A NE GLU 222.A OE1 no hydrogen 3.306 N/A ARG 221.A N PRO 218.A O no hydrogen 3.057 N/A ARG 221.A NH1 PRO 218.A O no hydrogen 3.155 N/A GLU 222.A N LEU 217.A O no hydrogen 3.114 N/A ILE 223.A N LYS 186.A O no hydrogen 2.789 N/A ILE 224.A N ALA 215.A O no hydrogen 2.930 N/A SER 225.A N LEU 188.A O no hydrogen 2.822 N/A SER 225.A OG ASN 233.A O no hydrogen 2.642 N/A PHE 226.A N LEU 213.A O no hydrogen 2.811 N/A GLY 227.A N SER 190.A O no hydrogen 2.778 N/A SER 228.A OG ASP 79.A OD1 no hydrogen 2.514 N/A SER 228.A OG ASP 79.A OD2 no hydrogen 3.481 N/A GLY 229.A N ASP 79.A OD2 no hydrogen 2.873 N/A TYR 230.A N SER 228.A OG no hydrogen 3.086 N/A TYR 230.A OH ASN 398.A O no hydrogen 2.728 N/A ASN 233.A N TYR 230.A O no hydrogen 2.908 N/A ASN 233.A ND2 ALA 81.A O no hydrogen 3.089 N/A ASN 233.A ND2 SER 228.A OG no hydrogen 2.912 N/A SER 234.A N GLY 231.A O no hydrogen 3.043 N/A SER 234.A OG GLY 229.A O no hydrogen 2.844 N/A SER 234.A OG GLY 231.A O no hydrogen 3.380 N/A LEU 235.A N GLY 231.A O no hydrogen 2.883 N/A LEU 236.A N GLU 154.A OE1 no hydrogen 3.082 N/A LYS 238.A N LEU 235.A O no hydrogen 3.395 N/A LYS 238.A NZ ASP 306.A OD2 no hydrogen 2.817 N/A LYS 238.A NZ GLU 324.A OE2 no hydrogen 2.688 N/A LYS 239.A NZ ASP 306.A OD1 no hydrogen 3.281 N/A LYS 239.A NZ ASP 306.A OD2 no hydrogen 2.743 N/A CYS 240.A SG HIS 216.A NE2 no hydrogen 3.378 N/A CYS 240.A SG GLY 232.A O no hydrogen 3.582 N/A PHE 241.A N LEU 236.A O no hydrogen 3.123 N/A ALA 242.A N GLY 237.A O no hydrogen 2.866 N/A LEU 243.A N LYS 239.A O no hydrogen 2.997 N/A ARG 244.A N LYS 239.A O no hydrogen 2.872 N/A ARG 244.A NE PRO 472.A O no hydrogen 3.009 N/A ARG 244.A NH1 HIS 216.A NE2 no hydrogen 3.146 N/A ARG 244.A NH2 PRO 472.A O no hydrogen 3.039 N/A ILE 245.A N CYS 240.A O no hydrogen 2.936 N/A ALA 246.A N PHE 241.A O no hydrogen 2.794 N/A SER 247.A N LEU 243.A O no hydrogen 2.960 N/A SER 247.A OG LEU 243.A O no hydrogen 2.789 N/A SER 247.A OG ARG 244.A O no hydrogen 3.132 N/A ARG 248.A NH1 ASP 219.A OD1 no hydrogen 2.941 N/A ARG 248.A NH2 ASP 219.A OD1 no hydrogen 3.423 N/A ARG 248.A NH2 ASP 219.A OD2 no hydrogen 3.556 N/A LEU 249.A N ILE 245.A O no hydrogen 3.027 N/A ALA 250.A N ALA 246.A O no hydrogen 2.820 N/A LYS 251.A N SER 247.A O no hydrogen 3.002 N/A GLU 252.A N ARG 248.A O no hydrogen 3.178 N/A GLU 253.A N LEU 249.A O no hydrogen 2.858 N/A GLY 254.A N ALA 250.A O no hydrogen 2.782 N/A TRP 255.A N ALA 250.A O no hydrogen 2.932 N/A TRP 255.A NE1 GLU 253.A OE1 no hydrogen 2.844 N/A LEU 256.A N MET 310.A O no hydrogen 2.817 N/A GLU 258.A N ALA 308.A O no hydrogen 2.876 N/A HIS 259.A ND1 ALA 469.A O no hydrogen 2.801 N/A HIS 259.A NE2 ASP 306.A OD1 no hydrogen 3.084 N/A LEU 261.A N ALA 277.A O no hydrogen 2.977 N/A ILE 262.A N GLY 304.A O no hydrogen 2.914 N/A LEU 263.A N.A LEU 275.A O no hydrogen 2.979 N/A LEU 263.A N.B LEU 275.A O no hydrogen 3.042 N/A GLY 264.A N.A GLU 301.A O no hydrogen 2.543 N/A GLY 264.A N.B GLU 301.A O no hydrogen 3.061 N/A ILE 265.A N.A LYS 273.A O no hydrogen 3.290 N/A ILE 265.A N.B LYS 273.A O no hydrogen 2.353 N/A THR 266.A N.A LYS 299.A O no hydrogen 2.637 N/A ASN 267.A N.A LYS 271.A O.A no hydrogen 3.096 N/A ASN 267.A N.B LYS 271.A O.B no hydrogen 2.676 N/A GLU 269.A N.A ASN 267.A OD1.A no hydrogen 2.955 N/A GLU 269.A N.B ASN 267.A OD1.A no hydrogen 3.078 N/A GLU 269.A N.B ASN 267.A OD1.B no hydrogen 2.840 N/A GLY 270.A N.A ASN 267.A O.A no hydrogen 3.249 N/A GLY 270.A N.B ASN 267.A O.B no hydrogen 3.078 N/A LYS 271.A N.A ASN 267.A OD1.A no hydrogen 2.869 N/A LYS 271.A N.B ASN 267.A OD1.B no hydrogen 2.959 N/A LYS 271.A NZ.B GLU 533.A OE1 no hydrogen 2.570 N/A LYS 272.A NZ.A TYR 274.A OH no hydrogen 3.055 N/A LYS 272.A NZ.A GLU 301.A OE1 no hydrogen 3.554 N/A LYS 272.A NZ.A ASP 412.A OD2 no hydrogen 3.098 N/A LYS 272.A NZ.B TYR 274.A OH no hydrogen 3.204 N/A LYS 273.A N ILE 265.A O.B no hydrogen 2.222 N/A LYS 273.A NZ GLU 424.A OE1 no hydrogen 2.606 N/A LYS 273.A NZ GLU 533.A OE2 no hydrogen 2.876 N/A TYR 274.A OH ASP 412.A OD1 no hydrogen 2.599 N/A LEU 275.A N LEU 263.A O.A no hydrogen 3.085 N/A LEU 275.A N LEU 263.A O.B no hydrogen 3.010 N/A ALA 276.A N GLY 425.A O no hydrogen 3.015 N/A ALA 277.A N LEU 261.A O no hydrogen 3.072 N/A ALA 278.A N ILE 427.A O no hydrogen 2.809 N/A CYS 283.A N PRO 280.A O no hydrogen 3.259 N/A CYS 283.A SG SER 281.A O no hydrogen 3.713 N/A CYS 283.A SG SER 457.A OG no hydrogen 3.416 N/A LYS 285.A NZ PHE 279.A O no hydrogen 2.857 N/A THR 286.A OG1 ASP 305.A OD2 no hydrogen 2.519 N/A LEU 288.A N GLY 284.A O no hydrogen 3.003 N/A ALA 289.A N LYS 285.A O no hydrogen 2.771 N/A MET 290.A N THR 286.A O no hydrogen 3.152 N/A MET 291.A N LEU 288.A O no hydrogen 3.195 N/A THR 294.A N GLY 519.A O.B no hydrogen 3.045 N/A THR 294.A OG1 GLY 519.A O.A no hydrogen 3.129 N/A THR 294.A OG1 GLU 520.A OE1.A no hydrogen 3.281 N/A THR 294.A OG1 GLU 520.A OE1.B no hydrogen 1.795 N/A THR 294.A OG1 SER 522.A OG.A no hydrogen 3.342 N/A TRP 298.A N LEU 295.A O no hydrogen 3.368 N/A LYS 299.A N THR 266.A O.A no hydrogen 2.755 N/A GLU 301.A N GLY 264.A O.A no hydrogen 2.796 N/A GLU 301.A N GLY 264.A O.B no hydrogen 3.285 N/A CYS 302.A N ILE 410.A O no hydrogen 2.807 N/A VAL 303.A N ILE 262.A O no hydrogen 3.098 N/A GLY 304.A N ILE 262.A O no hydrogen 3.189 N/A ALA 308.A N GLU 258.A O no hydrogen 2.821 N/A TRP 309.A N ILE 321.A O no hydrogen 2.982 N/A TRP 309.A NE1 ALA 242.A O no hydrogen 2.949 N/A MET 310.A N LEU 256.A O no hydrogen 2.794 N/A LYS 311.A N ARG 319.A O no hydrogen 2.809 N/A ASP 313.A N ASN 317.A O no hydrogen 2.884 N/A GLN 315.A N ASP 313.A OD1 no hydrogen 3.010 N/A GLY 316.A N ASP 313.A O no hydrogen 2.897 N/A ASN 317.A N ASP 313.A OD1 no hydrogen 3.010 N/A ARG 319.A N LYS 311.A O no hydrogen 2.964 N/A ARG 319.A NE ASP 313.A OD2 no hydrogen 2.908 N/A ARG 319.A NH1 GLY 420.A O no hydrogen 3.079 N/A ALA 320.A N VAL 421.A O no hydrogen 2.838 N/A ILE 321.A N TRP 309.A O no hydrogen 2.825 N/A ASN 322.A ND2 VAL 303.A O no hydrogen 2.944 N/A GLU 324.A N ASN 322.A OD1 no hydrogen 2.949 N/A ASN 325.A N MET 168.A O no hydrogen 2.868 N/A ASN 325.A ND2 ILE 167.A O no hydrogen 3.603 N/A ASN 325.A ND2 THR 169.A O no hydrogen 2.984 N/A PHE 327.A N THR 403.A O no hydrogen 3.004 N/A GLY 329.A N PHE 401.A O no hydrogen 2.997 N/A ALA 331.A N SER 399.A O no hydrogen 2.967 N/A GLY 333.A N GLU 366.A O no hydrogen 2.810 N/A THR 334.A N ALA 331.A O no hydrogen 2.989 N/A THR 334.A OG1 VAL 330.A O no hydrogen 3.319 N/A THR 334.A OG1 ALA 331.A O no hydrogen 2.739 N/A SER 335.A N THR 338.A OG1 no hydrogen 3.043 N/A SER 335.A OG THR 338.A OG1 no hydrogen 3.172 N/A THR 338.A N SER 335.A OG no hydrogen 3.024 N/A THR 338.A OG1 GLY 333.A O no hydrogen 2.838 N/A THR 338.A OG1 SER 335.A O no hydrogen 3.543 N/A THR 338.A OG1 SER 335.A OG no hydrogen 3.172 N/A ASN 339.A N SER 335.A O no hydrogen 2.739 N/A ALA 342.A N ASN 339.A OD1 no hydrogen 2.937 N/A ILE 343.A N ASN 339.A O no hydrogen 3.402 N/A LYS 344.A N PRO 340.A O no hydrogen 3.171 N/A THR 345.A N ASN 341.A O no hydrogen 3.237 N/A THR 345.A OG1 ASN 341.A O no hydrogen 2.706 N/A ILE 346.A N ALA 342.A O no hydrogen 3.131 N/A ASN 349.A N ASP 68.A O no hydrogen 2.898 N/A ASN 349.A ND2 GLN 407.A OE1 no hydrogen 2.800 N/A THR 350.A OG1 LYS 348.A O no hydrogen 2.824 N/A THR 350.A OG1 THR 403.A OG1 no hydrogen 2.821 N/A ILE 351.A N CYS 402.A O no hydrogen 2.992 N/A PHE 352.A N TRP 71.A O no hydrogen 2.734 N/A THR 353.A N ARG 400.A O no hydrogen 2.827 N/A THR 353.A OG1 TYR 160.A OH no hydrogen 2.679 N/A ASN 354.A N ALA 73.A O no hydrogen 2.896 N/A ASN 354.A ND2 THR 75.A OG1 no hydrogen 3.046 N/A ALA 356.A N TYR 364.A O no hydrogen 2.966 N/A GLU 357.A N THR 379.A O no hydrogen 2.821 N/A THR 358.A N GLY 362.A O no hydrogen 2.909 N/A THR 358.A OG1 ASP 360.A OD1 no hydrogen 2.616 N/A SER 359.A N THR 377.A O no hydrogen 2.787 N/A GLY 361.A N THR 358.A O no hydrogen 2.938 N/A GLY 362.A N THR 358.A OG1 no hydrogen 2.865 N/A VAL 363.A N TYR 67.A OH no hydrogen 3.277 N/A TYR 364.A N ALA 356.A O no hydrogen 2.820 N/A TRP 365.A NE1 THR 334.A O no hydrogen 2.866 N/A GLU 366.A N GLU 366.A OE1 no hydrogen 2.726 N/A ILE 368.A N TRP 365.A O no hydrogen 3.138 N/A VAL 376.A N ALA 373.A O no hydrogen 3.010 N/A THR 377.A N SER 359.A OG no hydrogen 3.164 N/A THR 377.A OG1 GLU 385.A OE2 no hydrogen 3.419 N/A THR 379.A N GLU 357.A O no hydrogen 2.724 N/A THR 379.A OG1 GLU 385.A OE1 no hydrogen 2.674 N/A SER 380.A N LYS 384.A O no hydrogen 2.706 N/A TRP 381.A N CYS 394.A O no hydrogen 2.690 N/A LYS 382.A N SER 380.A OG no hydrogen 3.013 N/A ASN 383.A N SER 380.A O no hydrogen 3.078 N/A TRP 386.A N ILE 378.A O no hydrogen 2.928 N/A TRP 386.A NE1 GLU 392.A O no hydrogen 2.699 N/A ASP 390.A N ARG 387.A O no hydrogen 3.096 N/A CYS 394.A N GLU 366.A OE2 no hydrogen 2.987 N/A CYS 394.A SG GLU 366.A OE1 no hydrogen 3.612 N/A CYS 394.A SG GLU 366.A OE2 no hydrogen 3.595 N/A ALA 395.A N GLU 366.A OE1 no hydrogen 3.396 N/A HIS 396.A N ASN 354.A O no hydrogen 2.994 N/A ASN 398.A N HIS 396.A ND1 no hydrogen 3.153 N/A ASN 398.A ND2 VAL 80.A O no hydrogen 2.961 N/A SER 399.A N HIS 396.A O no hydrogen 2.916 N/A SER 399.A OG HIS 396.A O no hydrogen 2.578 N/A ARG 400.A N THR 353.A O no hydrogen 2.915 N/A ARG 400.A NE ASN 398.A O no hydrogen 3.251 N/A ARG 400.A NH1 PHE 328.A O no hydrogen 2.947 N/A ARG 400.A NH2 ASN 398.A OD1 no hydrogen 2.753 N/A PHE 401.A N GLY 329.A O no hydrogen 2.946 N/A CYS 402.A N ILE 351.A O no hydrogen 2.798 N/A CYS 402.A SG SER 164.A O no hydrogen 3.785 N/A THR 403.A N PHE 327.A O no hydrogen 3.041 N/A THR 403.A OG1 THR 345.A O no hydrogen 3.299 N/A THR 403.A OG1 THR 350.A OG1 no hydrogen 2.821 N/A ALA 405.A N ASN 325.A O no hydrogen 3.000 N/A GLN 407.A N PRO 404.A O no hydrogen 3.320 N/A GLN 407.A NE2 THR 345.A O no hydrogen 2.791 N/A GLN 407.A NE2 LYS 348.A O no hydrogen 2.831 N/A CYS 408.A N ALA 405.A O no hydrogen 2.897 N/A ILE 411.A N CYS 408.A O no hydrogen 3.034 N/A ASP 412.A N CYS 302.A O no hydrogen 2.968 N/A ALA 414.A N ASP 412.A OD1 no hydrogen 2.813 N/A TRP 415.A N ASP 412.A O no hydrogen 2.983 N/A SER 417.A N ALA 414.A O no hydrogen 2.928 N/A SER 417.A OG ALA 414.A O no hydrogen 3.438 N/A GLU 419.A N GLU 419.A OE1 no hydrogen 2.762 N/A GLY 420.A N SER 417.A O no hydrogen 3.015 N/A VAL 421.A N ALA 320.A O no hydrogen 2.828 N/A ILE 423.A N LEU 318.A O no hydrogen 2.700 N/A GLU 424.A N TYR 274.A O no hydrogen 3.051 N/A ILE 426.A N LYS 498.A O no hydrogen 2.868 N/A ILE 427.A N ALA 276.A O no hydrogen 2.817 N/A PHE 428.A N PHE 500.A O no hydrogen 2.856 N/A ARG 431.A N SER 457.A OG no hydrogen 2.850 N/A ARG 431.A NE ALA 282.A O no hydrogen 2.793 N/A ARG 431.A NH1 ALA 282.A O no hydrogen 2.803 N/A ARG 432.A N ASN 503.A OD1 no hydrogen 3.199 N/A ARG 432.A NH1 GLU 576.A OE2 no hydrogen 2.868 N/A ARG 432.A NH2 GLU 576.A OE1 no hydrogen 2.885 N/A ARG 432.A NH2 GLU 576.A OE2 no hydrogen 3.542 N/A TYR 440.A N HIS 501.A O no hydrogen 2.901 N/A GLU 441.A N TYR 545.A O no hydrogen 2.778 N/A ALA 442.A N ILE 499.A O no hydrogen 2.772 N/A LEU 443.A N HIS 447.A ND1 no hydrogen 3.068 N/A SER 444.A OG GLN 446.A OE1 no hydrogen 3.283 N/A TRP 445.A NE1 TRP 485.A O no hydrogen 2.967 N/A HIS 447.A N SER 444.A OG no hydrogen 3.020 N/A GLY 448.A N SER 444.A O no hydrogen 2.885 N/A VAL 449.A N TRP 445.A O no hydrogen 2.893 N/A PHE 450.A N GLN 446.A O no hydrogen 3.022 N/A VAL 451.A N HIS 447.A O no hydrogen 2.805 N/A GLY 452.A N GLY 448.A O no hydrogen 3.011 N/A ALA 453.A N VAL 449.A O no hydrogen 2.934 N/A ALA 454.A N PHE 450.A O no hydrogen 2.854 N/A MET 455.A N GLY 452.A O no hydrogen 3.320 N/A ARG 456.A NH1 GLU 576.A OE2 no hydrogen 3.173 N/A SER 457.A N MET 464.A O no hydrogen 2.871 N/A GLU 458.A N ARG 431.A O no hydrogen 2.816 N/A ALA 459.A N VAL 462.A O no hydrogen 2.676 N/A MET 464.A N SER 457.A O no hydrogen 2.985 N/A HIS 465.A NE2 GLU 579.A OE1 no hydrogen 2.583 N/A HIS 465.A NE2 GLU 579.A OE2 no hydrogen 3.126 N/A ASP 466.A N MET 455.A O no hydrogen 2.924 N/A PHE 468.A N GLY 452.A O no hydrogen 2.910 N/A ALA 469.A N ASP 466.A O no hydrogen 2.945 N/A MET 470.A N PRO 467.A O no hydrogen 2.800 N/A ARG 471.A N ASP 466.A OD1 no hydrogen 2.892 N/A ARG 471.A NE GLN 107.A O no hydrogen 3.087 N/A PHE 473.A N MET 470.A O no hydrogen 2.820 N/A GLY 475.A N SER 247.A OG no hydrogen 2.824 N/A ASN 477.A N ASP 96.A O no hydrogen 3.035 N/A ASN 477.A ND2 ARG 95.A O no hydrogen 2.855 N/A ASN 477.A ND2 ASP 591.A OD2 no hydrogen 2.847 N/A LYS 480.A N ASN 477.A OD1 no hydrogen 3.037 N/A TYR 481.A N ASN 477.A O no hydrogen 3.020 N/A TYR 481.A OH GLU 258.A OE1 no hydrogen 2.680 N/A LEU 482.A N PHE 478.A O no hydrogen 2.911 N/A ALA 483.A N GLY 479.A O no hydrogen 3.088 N/A HIS 484.A N LYS 480.A O no hydrogen 2.795 N/A HIS 484.A NE2 TRP 255.A O no hydrogen 2.747 N/A TRP 485.A N TYR 481.A O no hydrogen 2.960 N/A TRP 485.A NE1 GLU 258.A OE2 no hydrogen 2.976 N/A LEU 486.A N LEU 482.A O no hydrogen 2.919 N/A SER 487.A N ALA 483.A O no hydrogen 2.917 N/A SER 487.A N HIS 484.A O no hydrogen 3.205 N/A SER 487.A OG HIS 484.A O no hydrogen 2.650 N/A MET 488.A N TRP 485.A O no hydrogen 3.148 N/A ALA 489.A N LEU 486.A O no hydrogen 3.169 N/A HIS 490.A N SER 487.A O no hydrogen 2.993 N/A ARG 491.A NH1 GLY 254.A O no hydrogen 3.067 N/A ARG 491.A NH2 GLY 254.A O no hydrogen 3.520 N/A LYS 495.A N GLY 316.A O no hydrogen 2.749 N/A LYS 495.A NZ ASN 317.A OD1 no hydrogen 2.865 N/A LYS 498.A NZ GLU 441.A OE2 no hydrogen 2.848 N/A PHE 500.A N ILE 426.A O no hydrogen 3.029 N/A HIS 501.A N TYR 440.A O no hydrogen 2.869 N/A VAL 502.A N PHE 428.A O no hydrogen 2.846 N/A ASN 503.A N LEU 438.A O no hydrogen 2.920 N/A ASN 503.A ND2 ARG 432.A O no hydrogen 2.828 N/A ASN 503.A ND2 VAL 436.A O no hydrogen 2.933 N/A PHE 505.A N ASN 503.A OD1 no hydrogen 3.139 N/A ARG 506.A NH1 LEU 565.A O no hydrogen 2.912 N/A ARG 506.A NH1 GLY 567.A O no hydrogen 3.029 N/A ARG 506.A NH2 GLY 567.A O no hydrogen 3.131 N/A LYS 507.A N PRO 433.A O no hydrogen 2.627 N/A ASP 508.A N LYS 512.A O no hydrogen 2.808 N/A ASN 510.A N ASP 508.A OD1 no hydrogen 2.919 N/A GLY 511.A N ASP 508.A O no hydrogen 2.878 N/A LYS 512.A N ASP 508.A OD1 no hydrogen 3.189 N/A LEU 514.A N.A ARG 506.A O no hydrogen 2.802 N/A TRP 515.A NE1.A ASN 521.A OD1.A no hydrogen 2.837 N/A TRP 515.A NE1.B ASN 521.A OD1.B no hydrogen 2.869 N/A GLU 520.A N.A GLY 517.A O.A no hydrogen 3.128 N/A GLU 520.A N.B GLY 517.A O.B no hydrogen 3.008 N/A ASN 521.A N.A PHE 518.A O.A no hydrogen 2.845 N/A ASN 521.A N.B PHE 518.A O.B no hydrogen 2.825 N/A SER 522.A N.A GLY 519.A O.A no hydrogen 3.294 N/A SER 522.A N.B GLY 519.A O.B no hydrogen 3.171 N/A SER 522.A OG.A THR 294.A OG1 no hydrogen 3.342 N/A SER 522.A OG.A GLY 519.A O.A no hydrogen 2.965 N/A SER 522.A OG.B GLY 519.A O.B no hydrogen 2.860 N/A ARG 523.A N.A GLU 520.A O.A no hydrogen 2.963 N/A ARG 523.A N.A GLU 520.A O.B no hydrogen 1.291 N/A ARG 523.A N.B GLU 520.A O.B no hydrogen 2.797 N/A ARG 523.A NE.A GLU 520.A OE1.A no hydrogen 2.667 N/A ARG 523.A NE.A GLU 520.A OE1.B no hydrogen 2.542 N/A ARG 523.A NE.B GLU 520.A OE1.B no hydrogen 2.525 N/A ARG 523.A NH1.A ASN 553.A O no hydrogen 2.955 N/A ARG 523.A NH1.A LYS 555.A O no hydrogen 2.783 N/A ARG 523.A NH1.B ASN 553.A O no hydrogen 2.947 N/A ARG 523.A NH1.B LYS 555.A O no hydrogen 3.071 N/A ARG 523.A NH2.A GLU 520.A OE1.A no hydrogen 3.105 N/A ARG 523.A NH2.A GLU 520.A OE2.B no hydrogen 3.439 N/A ARG 523.A NH2.A LYS 555.A O no hydrogen 3.046 N/A ARG 523.A NH2.B GLU 520.A OE1.B no hydrogen 3.049 N/A ARG 523.A NH2.B LYS 555.A O no hydrogen 3.028 N/A VAL 524.A N.A ASN 521.A O.A no hydrogen 2.975 N/A VAL 524.A N.B ASN 521.A O.A no hydrogen 3.421 N/A VAL 524.A N.B ASN 521.A O.B no hydrogen 2.838 N/A LEU 525.A N.A ASN 521.A O.A no hydrogen 3.115 N/A LEU 525.A N.A ASN 521.A O.B no hydrogen 2.179 N/A LEU 525.A N.B ASN 521.A O.B no hydrogen 3.005 N/A GLU 526.A N.A SER 522.A O.A no hydrogen 2.925 N/A GLU 526.A N.B SER 522.A O.B no hydrogen 2.852 N/A TRP 527.A N.A ARG 523.A O.A no hydrogen 3.405 N/A TRP 527.A NE1.A SER 537.A O no hydrogen 3.021 N/A TRP 527.A NE1.B SER 537.A O no hydrogen 3.242 N/A MET 528.A N.A VAL 524.A O.A no hydrogen 3.007 N/A MET 528.A N.A VAL 524.A O.B no hydrogen 2.091 N/A MET 528.A N.B VAL 524.A O.B no hydrogen 3.048 N/A MET 528.A N.B LEU 525.A O.A no hydrogen 3.191 N/A PHE 529.A N.A LEU 525.A O.A no hydrogen 2.912 N/A PHE 529.A N.B LEU 525.A O.B no hydrogen 2.673 N/A GLY 530.A N GLU 526.A O.B no hydrogen 2.330 N/A ARG 531.A N TRP 527.A O.B no hydrogen 2.341 N/A ARG 531.A N MET 528.A O.A no hydrogen 3.218 N/A ARG 531.A NE GLU 441.A OE1 no hydrogen 2.684 N/A ARG 531.A NH1 GLU 535.A O no hydrogen 3.008 N/A ARG 531.A NH2 GLU 441.A OE1 no hydrogen 3.399 N/A ARG 531.A NH2 GLU 441.A OE2 no hydrogen 2.895 N/A ILE 532.A N MET 528.A O.B no hydrogen 2.587 N/A GLU 533.A N PHE 529.A O.A no hydrogen 3.406 N/A GLU 533.A N PHE 529.A O.B no hydrogen 2.890 N/A GLY 534.A N ARG 531.A O no hydrogen 2.956 N/A GLU 535.A N GLY 530.A O no hydrogen 2.928 N/A LYS 539.A N VAL 546.A O no hydrogen 2.855 N/A THR 541.A N GLY 544.A O no hydrogen 2.913 N/A THR 541.A OG1 GLY 544.A O no hydrogen 2.573 N/A ILE 543.A N THR 541.A OG1 no hydrogen 3.320 N/A GLY 544.A N THR 541.A O no hydrogen 3.227 N/A TYR 545.A N GLU 441.A O no hydrogen 2.991 N/A VAL 546.A N LYS 539.A O no hydrogen 2.953 N/A LYS 548.A N SER 537.A O no hydrogen 3.088 N/A LYS 548.A NZ ASP 536.A O no hydrogen 2.814 N/A ALA 551.A N LYS 548.A O no hydrogen 2.920 N/A ASN 553.A N GLU 526.A OE1.A no hydrogen 2.974 N/A LYS 555.A N ASN 553.A OD1 no hydrogen 2.763 N/A LEU 557.A N LEU 554.A O no hydrogen 3.067 N/A GLU 564.A N ASN 561.A OD1 no hydrogen 3.393 N/A LEU 565.A N ASN 561.A O no hydrogen 3.028 N/A PHE 566.A N VAL 562.A O no hydrogen 2.976 N/A LYS 570.A NZ SER 608.A O no hydrogen 3.383 N/A LYS 570.A NZ MET 610.A O no hydrogen 3.153 N/A PHE 572.A N SER 569.A OG no hydrogen 3.200 N/A TRP 573.A N SER 569.A O no hydrogen 2.971 N/A TRP 573.A NE1 GLY 435.A O no hydrogen 3.174 N/A GLU 574.A N LYS 570.A O no hydrogen 2.807 N/A LYS 575.A N GLU 571.A O no hydrogen 3.325 N/A GLU 576.A N PHE 572.A O no hydrogen 2.914 N/A VAL 577.A N TRP 573.A O no hydrogen 2.963 N/A GLU 578.A N GLU 574.A O no hydrogen 3.232 N/A GLU 579.A N LYS 575.A O no hydrogen 3.027 N/A ILE 580.A N GLU 576.A O no hydrogen 2.931 N/A ASP 581.A N VAL 577.A O no hydrogen 2.848 N/A LYS 582.A N GLU 578.A O no hydrogen 2.991 N/A TYR 583.A N GLU 579.A O no hydrogen 2.987 N/A LEU 584.A N ILE 580.A O no hydrogen 2.932 N/A GLU 585.A N ASP 581.A O no hydrogen 2.982 N/A ASP 586.A N LYS 582.A O no hydrogen 3.015 N/A GLN 587.A N TYR 583.A O no hydrogen 2.814 N/A GLN 587.A NE2 GLN 105.A O no hydrogen 3.075 N/A GLN 587.A NE2 ASP 586.A OD2 no hydrogen 2.836 N/A VAL 588.A N LEU 584.A O no hydrogen 2.851 N/A ASN 589.A N LEU 584.A O no hydrogen 2.926 N/A ASN 589.A ND2 ILE 100.A O no hydrogen 2.839 N/A ASN 589.A ND2 GLU 585.A O no hydrogen 3.631 N/A ASN 589.A ND2 ASP 586.A O no hydrogen 3.045 N/A ALA 590.A N ASN 589.A OD1 no hydrogen 2.610 N/A ASP 591.A N VAL 588.A O no hydrogen 3.066 N/A LEU 592.A N ASN 589.A O no hydrogen 2.889 N/A GLU 595.A N GLU 595.A OE1 no hydrogen 2.803 N/A ILE 596.A N PRO 593.A O no hydrogen 3.042 N/A GLU 597.A N PRO 593.A O no hydrogen 3.303 N/A ARG 598.A N TYR 594.A O no hydrogen 2.859 N/A GLU 599.A N GLU 595.A O no hydrogen 3.000 N/A LEU 600.A N ILE 596.A O no hydrogen 2.935 N/A ARG 601.A N GLU 597.A O no hydrogen 2.986 N/A ARG 601.A NE GLU 597.A OE1 no hydrogen 2.712 N/A ALA 602.A N ARG 598.A O no hydrogen 2.801 N/A LEU 603.A N GLU 599.A O no hydrogen 2.876 N/A LYS 604.A N LEU 600.A O no hydrogen 2.936 N/A GLN 605.A N ARG 601.A O no hydrogen 3.044 N/A ARG 606.A N ALA 602.A O no hydrogen 2.970 N/A ARG 606.A NE PRO 542.A O no hydrogen 2.711 N/A ARG 606.A NH2 PRO 542.A O no hydrogen 3.116 N/A ILE 607.A N LEU 603.A O no hydrogen 2.895 N/A SER 608.A N LYS 604.A O no hydrogen 2.885 N/A SER 608.A OG GLN 605.A O no hydrogen 2.709 N/A GLN 609.A N GLN 605.A O no hydrogen 3.303 N/A GLN 609.A N ARG 606.A O no hydrogen 3.289 N/A GLN 609.A NE2 SER 608.A OG no hydrogen 3.000 N/A MET 610.A N ILE 607.A O no hydrogen 3.094 N/A