Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nx9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ASP 2.A OD2 no hydrogen 3.245 N/A SER 5.A N ASP 2.A O no hydrogen 3.114 N/A VAL 6.A N ASP 2.A O no hydrogen 2.656 N/A GLN 7.A NE2 ASP 11.A OD1 no hydrogen 2.919 N/A GLY 9.A N GLN 7.A OE1 no hydrogen 2.819 N/A ILE 12.A N SER 10.A OG no hydrogen 3.072 N/A ASP 21.A N MET 18.A O no hydrogen 3.488 N/A GLN 23.A N THR 20.A O no hydrogen 3.254 N/A ARG 24.A N ASP 21.A O no hydrogen 3.376 N/A TYR 26.A OH ALA 75.A O no hydrogen 2.739 N/A ILE 27.A N ILE 47.A O no hydrogen 2.819 N/A LYS 28.A NZ ALA 69.A O no hydrogen 2.694 N/A ARG 29.A N ILE 45.A O no hydrogen 2.931 N/A ARG 29.A NH1 GLU 145.A OE2 no hydrogen 2.835 N/A ARG 29.A NH2 GLU 145.A OE1 no hydrogen 2.926 N/A ARG 29.A NH2 GLU 145.A OE2 no hydrogen 3.337 N/A VAL 31.A N THR 43.A O no hydrogen 2.925 N/A VAL 33.A N LEU 41.A O no hydrogen 2.892 N/A MET 35.A N VAL 39.A O no hydrogen 2.766 N/A ARG 36.A N ASP 134.A OD2 no hydrogen 2.902 N/A ARG 36.A NE ASP 134.A OD1 no hydrogen 3.234 N/A ARG 36.A NE ASP 134.A OD2 no hydrogen 2.958 N/A ARG 36.A NH2 ASP 134.A OD1 no hydrogen 2.875 N/A GLY 38.A N MET 35.A O no hydrogen 3.079 N/A VAL 39.A N ASP 37.A OD1 no hydrogen 3.396 N/A LYS 40.A N GLN 108.A OE1 no hydrogen 2.902 N/A LEU 41.A N VAL 33.A O no hydrogen 2.739 N/A TYR 42.A N SER 107.A OG no hydrogen 2.872 N/A TYR 42.A OH GLU 30.A OE1 no hydrogen 2.446 N/A THR 43.A N VAL 31.A O no hydrogen 2.795 N/A THR 43.A OG1 LEU 41.A O no hydrogen 3.061 N/A VAL 44.A N PHE 98.A O no hydrogen 2.853 N/A ILE 45.A N ARG 29.A O no hydrogen 2.808 N/A VAL 46.A N ARG 96.A O no hydrogen 2.656 N/A ILE 47.A N ILE 27.A O no hydrogen 3.023 N/A LYS 49.A N ASP 25.A O no hydrogen 2.904 N/A LYS 49.A NZ ASP 21.A O no hydrogen 3.110 N/A LYS 49.A NZ ARG 24.A O no hydrogen 2.939 N/A ALA 51.A N PRO 48.A O no hydrogen 3.050 N/A ALA 54.A N GLU 145.A O no hydrogen 3.085 N/A ILE 56.A N ARG 149.A O no hydrogen 3.033 N/A LEU 57.A N ILE 95.A O no hydrogen 2.813 N/A LEU 58.A N GLY 151.A O no hydrogen 2.747 N/A THR 59.A N VAL 97.A O no hydrogen 2.934 N/A THR 59.A OG1 THR 153.A O no hydrogen 2.770 N/A ARG 60.A NE GLN 99.A OE1 no hydrogen 2.709 N/A ARG 60.A NH1 GLN 99.A OE1 no hydrogen 3.170 N/A ARG 60.A NH2 GLU 128.A OE2 no hydrogen 2.759 N/A THR 61.A N GLN 99.A O no hydrogen 2.788 N/A THR 61.A OG1 GLU 158.A OE2 no hydrogen 2.800 N/A TYR 63.A N THR 61.A OG1 no hydrogen 2.788 N/A TYR 63.A OH TYR 204.A OH no hydrogen 2.692 N/A ALA 65.A N ASP 100.A OD1 no hydrogen 2.653 N/A ARG 68.A N ASN 64.A O no hydrogen 2.927 N/A ARG 68.A NE GLU 158.A OE2 no hydrogen 2.776 N/A ARG 68.A NH2 GLU 158.A OE1 no hydrogen 3.096 N/A ALA 69.A N ALA 65.A O no hydrogen 3.076 N/A ASN 70.A N GLY 67.A O no hydrogen 2.985 N/A ASN 70.A ND2 LYS 66.A O no hydrogen 3.378 N/A ARG 71.A N VAL 81.A O no hydrogen 2.926 N/A ARG 71.A NE GLU 80.A O no hydrogen 3.012 N/A ARG 71.A NH1 ARG 79.A O no hydrogen 2.907 N/A ASN 74.A N ASN 70.A OD1 no hydrogen 3.017 N/A ALA 75.A N VAL 72.A O no hydrogen 3.139 N/A THR 77.A OG1 GLU 80.A OE1 no hydrogen 2.661 N/A MET 78.A N ASP 25.A OD1 no hydrogen 2.830 N/A GLU 80.A N THR 77.A O no hydrogen 3.253 N/A GLU 80.A N THR 77.A OG1 no hydrogen 3.413 N/A VAL 81.A N THR 77.A O no hydrogen 3.153 N/A LEU 82.A N MET 78.A O no hydrogen 3.085 N/A ASP 86.A N PRO 83.A O no hydrogen 3.013 N/A ASP 87.A N GLN 84.A O no hydrogen 3.095 N/A VAL 88.A N ASP 87.A OD1 no hydrogen 2.649 N/A PHE 89.A N ASP 86.A O no hydrogen 2.924 N/A VAL 90.A N ASP 86.A O no hydrogen 2.959 N/A GLU 91.A N ASP 87.A O no hydrogen 3.064 N/A GLY 92.A N VAL 88.A O no hydrogen 3.178 N/A GLY 93.A N VAL 90.A O no hydrogen 3.194 N/A TYR 94.A N PHE 89.A O no hydrogen 3.002 N/A TYR 94.A OH ASP 354.A OD2 no hydrogen 2.630 N/A ILE 95.A N PRO 55.A O no hydrogen 2.882 N/A ARG 96.A N VAL 46.A O no hydrogen 2.893 N/A ARG 96.A NE ASP 86.A OD1 no hydrogen 3.356 N/A ARG 96.A NE ASP 86.A OD2 no hydrogen 2.647 N/A ARG 96.A NH1 LEU 57.A O no hydrogen 3.214 N/A ARG 96.A NH1 THR 59.A OG1 no hydrogen 2.811 N/A ARG 96.A NH2 THR 59.A OG1 no hydrogen 3.102 N/A ARG 96.A NH2 ASP 86.A OD1 no hydrogen 3.131 N/A ARG 96.A NH2 ASP 86.A OD2 no hydrogen 3.450 N/A VAL 97.A N LEU 57.A O no hydrogen 2.860 N/A PHE 98.A N VAL 44.A O no hydrogen 3.017 N/A GLN 99.A N THR 59.A O no hydrogen 2.916 N/A GLN 99.A NE2 THR 43.A OG1 no hydrogen 2.974 N/A GLN 99.A NE2 THR 135.A OG1 no hydrogen 2.968 N/A ASP 100.A N TYR 42.A O no hydrogen 2.945 N/A ILE 101.A N THR 61.A O no hydrogen 3.002 N/A ARG 102.A NE ASP 131.A OD2 no hydrogen 2.991 N/A ARG 102.A NH1 ASP 37.A OD1 no hydrogen 2.982 N/A ARG 102.A NH1 ASP 37.A OD2 no hydrogen 3.277 N/A ARG 102.A NH1 ASP 131.A OD1 no hydrogen 3.055 N/A ARG 102.A NH2 ASP 37.A OD2 no hydrogen 2.692 N/A GLY 103.A N GLN 108.A O no hydrogen 2.847 N/A LYS 104.A N ILE 101.A O no hydrogen 3.094 N/A LYS 104.A NZ GLN 208.A O no hydrogen 2.831 N/A LYS 104.A NZ ALA 211.A O no hydrogen 3.255 N/A LYS 104.A NZ ARG 212.A O no hydrogen 3.177 N/A LYS 104.A NZ GLY 213.A O no hydrogen 3.205 N/A TYR 105.A N ARG 212.A O no hydrogen 2.707 N/A GLY 106.A N ASP 100.A OD2 no hydrogen 3.094 N/A SER 107.A N LYS 104.A O no hydrogen 2.956 N/A SER 107.A OG ASP 100.A O no hydrogen 2.606 N/A GLN 108.A N LYS 40.A O no hydrogen 2.945 N/A TYR 111.A OH TYR 157.A OH no hydrogen 2.907 N/A THR 114.A N TYR 157.A OH no hydrogen 2.817 N/A THR 114.A OG1 MET 113.A O no hydrogen 2.853 N/A ARG 115.A NH1 THR 126.A OG1 no hydrogen 3.055 N/A ARG 115.A NH2 THR 126.A OG1 no hydrogen 3.230 N/A HIS 118.A N ASP 127.A OD2 no hydrogen 2.934 N/A HIS 118.A ND1 THR 124.A O no hydrogen 3.106 N/A GLY 119.A N ASN 122.A O no hydrogen 2.979 N/A ASN 122.A N GLY 119.A O no hydrogen 3.028 N/A ASN 122.A ND2 PRO 116.A O no hydrogen 2.933 N/A ASN 122.A ND2 THR 126.A O no hydrogen 3.087 N/A THR 124.A N ASN 122.A OD1 no hydrogen 3.249 N/A THR 124.A OG1 ASN 122.A OD1 no hydrogen 2.865 N/A THR 126.A N THR 124.A OG1 no hydrogen 3.347 N/A ASP 127.A N THR 130.A OG1 no hydrogen 2.979 N/A THR 129.A OG1 MET 164.A O no hydrogen 2.540 N/A THR 130.A N ASP 127.A OD1 no hydrogen 2.875 N/A THR 130.A OG1 ASP 127.A O no hydrogen 3.056 N/A THR 130.A OG1 ASP 127.A OD1 no hydrogen 3.449 N/A ASP 131.A N ASP 127.A O no hydrogen 2.993 N/A ALA 132.A N GLU 128.A O no hydrogen 3.214 N/A TRP 133.A N THR 129.A O no hydrogen 2.974 N/A ASP 134.A N THR 130.A O no hydrogen 2.819 N/A THR 135.A N ASP 131.A O no hydrogen 3.107 N/A THR 135.A OG1 GLN 99.A OE1 no hydrogen 3.045 N/A THR 135.A OG1 ASP 131.A O no hydrogen 2.739 N/A VAL 136.A N ALA 132.A O no hydrogen 2.980 N/A ASP 137.A N TRP 133.A O no hydrogen 3.032 N/A TRP 138.A N ASP 134.A O no hydrogen 3.084 N/A LEU 139.A N THR 135.A O no hydrogen 2.943 N/A VAL 140.A N VAL 136.A O no hydrogen 3.042 N/A HIS 141.A N TRP 138.A O no hydrogen 3.125 N/A HIS 141.A ND1 ASP 137.A O no hydrogen 2.758 N/A VAL 143.A N LEU 139.A O no hydrogen 3.213 N/A SER 146.A N VAL 143.A O no hydrogen 3.069 N/A SER 146.A OG VAL 143.A O no hydrogen 3.027 N/A ASN 147.A N ALA 54.A O no hydrogen 3.044 N/A ASN 147.A ND2 LEU 357.A O no hydrogen 2.817 N/A GLY 148.A N SER 146.A OG no hydrogen 3.315 N/A ARG 149.A N ASN 147.A OD1 no hydrogen 3.061 N/A ARG 149.A NE TYR 356.A O no hydrogen 3.154 N/A ARG 149.A NH2 TYR 356.A O no hydrogen 2.801 N/A VAL 150.A N ALA 172.A O no hydrogen 3.018 N/A GLY 151.A N ILE 56.A O no hydrogen 2.746 N/A MET 152.A N VAL 175.A O no hydrogen 3.092 N/A THR 153.A N LEU 58.A O no hydrogen 3.148 N/A THR 153.A OG1 ALA 177.A O no hydrogen 2.824 N/A SER 155.A OG GLU 179.A O no hydrogen 3.361 N/A SER 155.A OG SER 322.A OG no hydrogen 2.643 N/A ALA 156.A N GLU 179.A O no hydrogen 2.848 N/A TYR 157.A OH TYR 111.A OH no hydrogen 2.907 N/A GLU 158.A N SER 155.A O no hydrogen 2.959 N/A GLY 159.A N ALA 156.A O no hydrogen 2.919 N/A PHE 160.A N ALA 156.A O no hydrogen 2.815 N/A THR 161.A N TYR 157.A O no hydrogen 3.205 N/A THR 161.A OG1 ARG 60.A O no hydrogen 2.824 N/A THR 161.A OG1 GLU 158.A O no hydrogen 2.948 N/A VAL 162.A N GLY 159.A O no hydrogen 3.143 N/A VAL 163.A N GLY 159.A O no hydrogen 3.140 N/A MET 164.A N PHE 160.A O no hydrogen 3.008 N/A ALA 165.A N THR 161.A O no hydrogen 3.095 N/A LEU 166.A N VAL 162.A O no hydrogen 3.041 N/A LEU 167.A N MET 164.A O no hydrogen 3.253 N/A ASP 168.A N ALA 165.A O no hydrogen 3.339 N/A HIS 170.A NE2 ASP 137.A OD2 no hydrogen 2.916 N/A ALA 172.A N HIS 170.A ND1 no hydrogen 3.018 N/A LEU 173.A N HIS 170.A O no hydrogen 2.897 N/A LYS 174.A N VAL 150.A O no hydrogen 2.977 N/A LYS 174.A NZ PRO 171.A O no hydrogen 2.986 N/A ALA 176.A N PRO 280.A O no hydrogen 3.124 N/A ALA 177.A N MET 152.A O no hydrogen 2.789 N/A GLU 179.A N GLY 154.A O no hydrogen 2.855 N/A SER 180.A N GLU 284.A O no hydrogen 2.661 N/A SER 180.A OG ASP 289.A OD1 no hydrogen 2.505 N/A MET 182.A N ALA 156.A O no hydrogen 3.397 N/A VAL 183.A N ASP 189.A OD1 no hydrogen 2.774 N/A ASP 184.A N ASP 189.A OD1 no hydrogen 2.793 N/A TRP 186.A N ASP 184.A OD2 no hydrogen 3.288 N/A TRP 186.A NE1 PRO 257.A O no hydrogen 2.881 N/A MET 187.A N ASP 184.A OD2 no hydrogen 3.195 N/A GLY 188.A N ASP 184.A O no hydrogen 3.447 N/A ASP 189.A N ASP 184.A O no hydrogen 3.120 N/A PHE 192.A N GLY 185.A O no hydrogen 2.799 N/A HIS 193.A N ALA 196.A O no hydrogen 3.017 N/A HIS 193.A ND1 ASP 522.A OD2 no hydrogen 2.731 N/A TYR 194.A N MET 187.A O no hydrogen 2.851 N/A TYR 194.A OH THR 549.A O no hydrogen 2.857 N/A ALA 196.A N HIS 193.A O no hydrogen 3.008 N/A ARG 198.A N TRP 191.A O no hydrogen 2.820 N/A ARG 198.A NE ASP 190.A O no hydrogen 2.939 N/A ARG 198.A NH1 TYR 575.A OH no hydrogen 3.091 N/A ARG 198.A NH2 GLN 290.A O no hydrogen 2.865 N/A GLN 199.A N LEU 574.A O no hydrogen 2.747 N/A GLN 199.A NE2 PRO 573.A O no hydrogen 2.817 N/A ALA 201.A N ARG 198.A O no hydrogen 3.235 N/A TYR 204.A OH TYR 63.A OH no hydrogen 2.692 N/A PHE 205.A N ALA 201.A O no hydrogen 2.876 N/A VAL 206.A N PHE 202.A O no hydrogen 3.242 N/A SER 207.A N ASP 203.A O no hydrogen 2.933 N/A GLN 208.A N TYR 204.A O no hydrogen 2.950 N/A GLN 208.A NE2 PRO 62.A O no hydrogen 3.113 N/A MET 209.A N PHE 205.A O no hydrogen 2.857 N/A THR 210.A OG1 VAL 206.A O no hydrogen 2.487 N/A THR 210.A OG1 TYR 247.A OH no hydrogen 2.696 N/A ARG 212.A NH1 SER 107.A O no hydrogen 2.844 N/A ARG 212.A NH1 GLY 109.A O no hydrogen 2.950 N/A ARG 212.A NH2 GLY 109.A O no hydrogen 3.371 N/A ILE 218.A N ASP 203.A OD2 no hydrogen 3.112 N/A ARG 220.A NE ASP 225.A OD2 no hydrogen 2.588 N/A ARG 220.A NH1 ASP 203.A OD1 no hydrogen 3.246 N/A ARG 220.A NH1 ASP 203.A OD2 no hydrogen 2.734 N/A ARG 220.A NH1 ILE 218.A O no hydrogen 2.906 N/A ARG 220.A NH2 ASP 203.A OD1 no hydrogen 2.681 N/A ARG 220.A NH2 ASP 225.A OD1 no hydrogen 2.939 N/A ASP 222.A N ASN 228.A OD1 no hydrogen 2.843 N/A ASP 224.A N ASP 222.A OD1 no hydrogen 2.965 N/A ASP 225.A N PHE 436.A O no hydrogen 2.716 N/A TYR 226.A N ASP 224.A OD2 no hydrogen 3.070 N/A TYR 226.A OH PRO 428.A O no hydrogen 2.674 N/A ASN 228.A N ASP 224.A O no hydrogen 2.971 N/A ASN 228.A ND2 ASP 222.A O no hydrogen 2.716 N/A ASN 228.A ND2 ASP 225.A OD2 no hydrogen 2.946 N/A PHE 229.A N ASP 225.A O no hydrogen 3.003 N/A LEU 230.A N TYR 226.A O no hydrogen 3.237 N/A LYS 231.A N THR 227.A O no hydrogen 2.895 N/A ALA 232.A N ASN 228.A O no hydrogen 3.200 N/A GLY 233.A N PHE 229.A O no hydrogen 3.055 N/A GLY 233.A N LEU 230.A O no hydrogen 3.273 N/A SER 234.A OG PHE 587.A O no hydrogen 3.032 N/A GLY 236.A N PHE 587.A O no hydrogen 2.920 N/A SER 237.A N SER 234.A O no hydrogen 3.256 N/A SER 237.A N SER 234.A OG no hydrogen 3.151 N/A SER 237.A OG ALA 232.A O no hydrogen 2.730 N/A PHE 238.A N SER 234.A O no hydrogen 3.246 N/A ALA 239.A N ALA 235.A O no hydrogen 3.007 N/A THR 240.A N GLY 236.A O no hydrogen 3.038 N/A THR 240.A OG1 GLY 236.A O no hydrogen 2.948 N/A THR 240.A OG1 ASP 245.A OD2 no hydrogen 2.706 N/A GLN 241.A N SER 237.A O no hydrogen 3.135 N/A ALA 242.A N PHE 238.A O no hydrogen 2.914 N/A GLY 243.A N THR 240.A O no hydrogen 3.095 N/A LEU 244.A N ALA 239.A O no hydrogen 2.825 N/A GLN 246.A NE2 GLY 243.A O no hydrogen 2.770 N/A TYR 247.A N LEU 244.A O no hydrogen 2.925 N/A TYR 247.A OH THR 210.A OG1 no hydrogen 2.696 N/A GLN 251.A N TYR 247.A O no hydrogen 3.079 N/A GLN 251.A NE2 ASP 245.A O no hydrogen 2.748 N/A ARG 252.A N PRO 248.A O no hydrogen 3.075 N/A MET 253.A N PHE 249.A O no hydrogen 2.913 N/A HIS 254.A N TRP 250.A O no hydrogen 2.767 N/A HIS 254.A NE2 ASP 588.A OD1 no hydrogen 2.741 N/A HIS 254.A NE2 ASP 588.A OD2 no hydrogen 2.738 N/A ALA 255.A N GLN 251.A O no hydrogen 3.263 N/A HIS 256.A N MET 253.A O no hydrogen 2.977 N/A HIS 256.A ND1 ASP 260.A OD1 no hydrogen 2.642 N/A TYR 259.A N PHE 532.A O no hydrogen 3.013 N/A TYR 259.A OH ASP 184.A OD1 no hydrogen 2.702 N/A ASP 260.A N ALA 258.A O no hydrogen 2.813 N/A PHE 262.A N ASP 260.A OD2 no hydrogen 3.157 N/A TRP 263.A N ASP 260.A O no hydrogen 3.185 N/A TRP 263.A NE1 HIS 256.A O no hydrogen 2.730 N/A GLN 264.A N ASP 260.A O no hydrogen 2.923 N/A GLN 264.A NE2 TYR 259.A O no hydrogen 2.969 N/A GLY 265.A N ALA 261.A O no hydrogen 2.962 N/A GLN 266.A N TRP 263.A O no hydrogen 2.989 N/A GLN 266.A NE2 PHE 262.A O no hydrogen 2.884 N/A ALA 267.A N GLN 264.A O no hydrogen 3.287 N/A LEU 268.A N VAL 183.A O no hydrogen 3.121 N/A LYS 270.A N ALA 267.A O no hydrogen 3.286 N/A ILE 271.A N ALA 267.A O no hydrogen 3.212 N/A LEU 272.A N LEU 268.A O no hydrogen 2.878 N/A ALA 273.A N ASP 269.A O no hydrogen 3.450 N/A GLN 274.A N ILE 271.A O no hydrogen 3.144 N/A ARG 275.A N LEU 272.A O no hydrogen 3.037 N/A MET 281.A N PRO 311.A O no hydrogen 2.782 N/A LEU 282.A N ALA 176.A O no hydrogen 3.066 N/A TRP 283.A N THR 313.A O no hydrogen 2.715 N/A GLU 284.A N PRO 178.A O no hydrogen 3.223 N/A GLN 285.A N VAL 315.A O no hydrogen 3.166 N/A GLN 285.A NE2 MET 293.A O no hydrogen 2.869 N/A GLY 286.A N ASP 289.A OD1 no hydrogen 3.394 N/A LEU 287.A N GLY 317.A O no hydrogen 2.905 N/A TRP 288.A N TRP 319.A O no hydrogen 3.070 N/A TRP 288.A NE1 PRO 518.A O no hydrogen 3.055 N/A ASP 289.A N GLY 286.A O no hydrogen 3.234 N/A GLN 290.A NE2 TRP 288.A O no hydrogen 3.595 N/A GLU 291.A N ASP 289.A OD2 no hydrogen 3.377 N/A ASP 292.A N ASP 289.A OD2 no hydrogen 2.812 N/A GLY 295.A N ASP 189.A OD2 no hydrogen 2.893 N/A ILE 297.A N GLN 285.A OE1 no hydrogen 2.978 N/A HIS 298.A N TRP 294.A O no hydrogen 3.243 N/A HIS 298.A ND1 TRP 294.A O no hydrogen 2.914 N/A ALA 299.A N GLY 295.A O no hydrogen 3.010 N/A TRP 300.A N ALA 296.A O no hydrogen 2.915 N/A TRP 300.A NE1 ASN 312.A O no hydrogen 2.879 N/A GLN 301.A N ILE 297.A O no hydrogen 2.963 N/A GLN 301.A NE2 GLN 301.A O no hydrogen 3.370 N/A GLN 301.A NE2 ASP 305.A OD1 no hydrogen 2.910 N/A ALA 302.A N HIS 298.A O no hydrogen 3.037 N/A LEU 303.A N ALA 299.A O no hydrogen 3.152 N/A LYS 304.A N TRP 300.A O no hydrogen 3.051 N/A LYS 304.A NZ ASP 368.A OD2 no hydrogen 3.170 N/A LYS 304.A NZ TRP 385.A O no hydrogen 2.773 N/A ASP 305.A N GLN 301.A O no hydrogen 2.906 N/A ALA 306.A N ALA 302.A O no hydrogen 3.008 N/A ASP 307.A N LYS 304.A O no hydrogen 3.196 N/A VAL 308.A N LEU 303.A O no hydrogen 2.987 N/A ASN 312.A ND2 TRP 300.A O no hydrogen 3.016 N/A THR 313.A N MET 281.A O no hydrogen 3.172 N/A THR 313.A OG1 PRO 367.A O no hydrogen 2.728 N/A LEU 314.A N ASP 368.A O no hydrogen 3.000 N/A VAL 315.A N TRP 283.A O no hydrogen 2.620 N/A MET 316.A N ILE 370.A O no hydrogen 3.053 N/A TRP 319.A N GLY 317.A O no hydrogen 2.796 N/A TRP 319.A NE1 THR 340.A OG1 no hydrogen 2.818 N/A ARG 320.A NH1 HIS 321.A O no hydrogen 3.013 N/A HIS 321.A ND1 ASP 289.A OD2 no hydrogen 2.924 N/A SER 322.A OG SER 155.A OG no hydrogen 2.643 N/A GLY 323.A N ARG 320.A O no hydrogen 2.895 N/A ASN 325.A N SER 322.A O no hydrogen 3.095 N/A ASN 325.A ND2 GLU 179.A OE1 no hydrogen 3.115 N/A TYR 326.A N GLY 323.A O no hydrogen 3.135 N/A GLY 328.A N ASP 339.A OD1 no hydrogen 2.790 N/A SER 329.A N ASN 327.A OD1 no hydrogen 2.867 N/A SER 329.A OG ASN 327.A OD1 no hydrogen 2.927 N/A LEU 331.A N LEU 334.A O no hydrogen 3.181 N/A LEU 334.A N LEU 331.A O no hydrogen 2.929 N/A PHE 336.A N SER 329.A O no hydrogen 2.834 N/A GLU 337.A N TYR 372.A OH no hydrogen 3.089 N/A GLY 338.A N PHE 336.A O no hydrogen 3.010 N/A THR 340.A N GLY 328.A O no hydrogen 3.411 N/A THR 340.A OG1 GLY 328.A O no hydrogen 2.610 N/A HIS 342.A N ASP 339.A OD1 no hydrogen 3.149 N/A HIS 342.A ND1 ASP 87.A OD2 no hydrogen 3.151 N/A GLN 343.A N ASP 339.A O no hydrogen 2.960 N/A GLN 343.A NE2 GLU 337.A O no hydrogen 2.967 N/A TYR 344.A N THR 340.A O no hydrogen 3.159 N/A ARG 345.A N ALA 341.A O no hydrogen 3.031 N/A ARG 345.A NE ASP 87.A OD1 no hydrogen 2.993 N/A ARG 345.A NH1 VAL 324.A O no hydrogen 2.780 N/A ARG 345.A NH1 TYR 326.A O no hydrogen 2.950 N/A ARG 345.A NH2 ASP 87.A OD2 no hydrogen 2.805 N/A ARG 346.A N HIS 342.A O no hydrogen 2.901 N/A ARG 346.A NE ASP 347.A OD2 no hydrogen 2.658 N/A ARG 346.A NH2 ASP 347.A OD1 no hydrogen 2.908 N/A ARG 346.A NH2 ASP 347.A OD2 no hydrogen 3.397 N/A ASP 347.A N GLN 343.A O no hydrogen 2.851 N/A VAL 348.A N TYR 344.A O no hydrogen 2.888 N/A PHE 349.A N TYR 344.A O no hydrogen 2.946 N/A ARG 350.A N ARG 345.A O no hydrogen 2.924 N/A ARG 350.A NE ASP 354.A OD2 no hydrogen 2.924 N/A ARG 350.A NH2 VAL 88.A O no hydrogen 3.368 N/A PHE 352.A N VAL 348.A O no hydrogen 3.060 N/A PHE 353.A N PHE 349.A O no hydrogen 3.114 N/A ASP 354.A N ARG 350.A O no hydrogen 2.832 N/A GLU 355.A N PRO 351.A O no hydrogen 3.113 N/A TYR 356.A N PHE 353.A O no hydrogen 3.272 N/A LEU 357.A N PHE 353.A O no hydrogen 2.863 N/A LYS 358.A N ASP 354.A O no hydrogen 2.822 N/A LYS 358.A NZ GLY 92.A O no hydrogen 2.700 N/A SER 361.A N LYS 358.A O no hydrogen 3.045 N/A SER 361.A OG ASP 354.A O no hydrogen 3.409 N/A SER 361.A OG LYS 358.A O no hydrogen 2.716 N/A SER 363.A OG GLU 355.A OE2 no hydrogen 3.268 N/A VAL 364.A N GLU 355.A OE1 no hydrogen 3.034 N/A ASP 368.A N ARG 383.A O no hydrogen 3.288 N/A ALA 369.A N TYR 382.A O no hydrogen 3.259 N/A ILE 370.A N LEU 314.A O no hydrogen 2.821 N/A ILE 371.A N ASP 380.A O no hydrogen 3.016 N/A TYR 372.A N MET 316.A O no hydrogen 2.996 N/A TYR 372.A OH GLN 377.A OE1 no hydrogen 2.668 N/A ASN 373.A N LYS 378.A O no hydrogen 2.757 N/A ASN 373.A ND2 ASP 380.A OD2 no hydrogen 2.806 N/A THR 374.A N ASN 554.A O no hydrogen 2.980 N/A THR 374.A OG1 ASN 554.A O no hydrogen 3.244 N/A THR 374.A OG1 HIS 555.A ND1 no hydrogen 2.777 N/A GLY 375.A N ASN 373.A OD1 no hydrogen 2.995 N/A ASP 376.A N ASN 373.A OD1 no hydrogen 2.813 N/A GLN 377.A N ASN 373.A O no hydrogen 2.784 N/A TRP 379.A NE1 GLN 343.A OE1 no hydrogen 2.964 N/A ASP 380.A N ILE 371.A O no hydrogen 2.799 N/A TYR 382.A N ALA 369.A O no hydrogen 2.946 N/A TYR 382.A OH SER 476.A OG no hydrogen 3.373 N/A TYR 382.A OH ASN 554.A OD1 no hydrogen 2.737 N/A TRP 385.A N ASP 368.A OD2 no hydrogen 3.174 N/A TRP 385.A NE1 SER 476.A OG no hydrogen 3.052 N/A CYS 389.A N GLY 395.A O no hydrogen 3.213 N/A CYS 389.A SG SER 391.A O no hydrogen 3.095 N/A CYS 393.A SG PRO 386.A O no hydrogen 3.314 N/A GLY 395.A N SER 387.A O no hydrogen 3.112 N/A THR 398.A N LEU 613.A O no hydrogen 2.729 N/A LEU 400.A N ILE 611.A O no hydrogen 2.984 N/A TYR 401.A N SER 409.A O no hydrogen 2.776 N/A LEU 402.A N THR 609.A O no hydrogen 3.031 N/A ALA 403.A N GLY 407.A O no hydrogen 2.858 N/A GLY 405.A N ASP 404.A OD1 no hydrogen 3.181 N/A SER 409.A N TYR 401.A O no hydrogen 2.888 N/A SER 409.A OG THR 411.A O no hydrogen 3.404 N/A THR 411.A N SER 409.A OG no hydrogen 2.966 N/A HIS 412.A NE2 GLY 605.A O no hydrogen 2.780 N/A GLY 417.A N HIS 603.A O no hydrogen 3.064 N/A ASP 419.A N ILE 601.A O no hydrogen 3.026 N/A TYR 421.A N GLN 599.A O no hydrogen 2.877 N/A TYR 421.A OH SER 569.A OG no hydrogen 2.813 N/A SER 423.A N ALA 597.A O no hydrogen 2.741 N/A SER 423.A OG GLN 580.A OE1 no hydrogen 2.582 N/A ALA 426.A N ASP 424.A OD2 no hydrogen 2.975 N/A HIS 427.A N ASP 424.A O no hydrogen 2.888 N/A HIS 427.A ND1 ASP 424.A OD1 no hydrogen 3.019 N/A VAL 429.A N SER 570.A OG no hydrogen 2.761 N/A PHE 431.A N PHE 572.A O no hydrogen 2.809 N/A SER 433.A OG GLU 454.A OE1 no hydrogen 2.448 N/A ARG 434.A NE ASP 224.A OD1 no hydrogen 2.762 N/A ARG 434.A NH1 ASP 224.A OD1 no hydrogen 3.031 N/A PHE 436.A N ASP 224.A OD2 no hydrogen 2.863 N/A ALA 437.A N GLN 440.A OE1 no hydrogen 2.856 N/A PHE 438.A N ASP 225.A OD1 no hydrogen 2.841 N/A GLN 440.A N ALA 437.A O no hydrogen 2.904 N/A SER 441.A N ALA 439.A O no hydrogen 3.023 N/A ARG 443.A N GLN 440.A O no hydrogen 3.141 N/A ARG 443.A NH1 SER 433.A O no hydrogen 3.016 N/A ARG 443.A NH2 SER 433.A O no hydrogen 2.906 N/A TRP 444.A N GLN 440.A O no hydrogen 3.110 N/A TRP 444.A NE1 GLU 291.A OE1 no hydrogen 2.895 N/A LYS 445.A N SER 441.A O no hydrogen 3.019 N/A TRP 447.A N TRP 444.A O no hydrogen 3.210 N/A VAL 449.A N PRO 446.A O no hydrogen 3.313 N/A GLN 450.A N TRP 447.A O no hydrogen 3.307 N/A GLN 450.A NE2 PRO 446.A O no hydrogen 2.873 N/A GLN 452.A N GLU 516.A O no hydrogen 3.052 N/A GLN 452.A NE2 GLN 450.A O no hydrogen 2.862 N/A ARG 453.A N ASP 451.A OD2 no hydrogen 3.226 N/A ARG 453.A NE ASP 451.A OD1 no hydrogen 2.741 N/A ARG 453.A NH1 GLY 513.A O no hydrogen 2.795 N/A ARG 453.A NH2 ASP 451.A OD1 no hydrogen 2.940 N/A ARG 453.A NH2 GLY 513.A O no hydrogen 3.377 N/A GLU 456.A N GLN 452.A O no hydrogen 3.167 N/A SER 457.A N ARG 453.A O no hydrogen 3.164 N/A SER 457.A OG GLU 454.A O no hydrogen 2.696 N/A ARG 458.A N ALA 455.A O no hydrogen 2.985 N/A ARG 458.A NE ASP 460.A OD2 no hydrogen 2.830 N/A ARG 458.A NH2 ASP 460.A OD1 no hydrogen 2.787 N/A ARG 458.A NH2 ASP 460.A OD2 no hydrogen 3.562 N/A VAL 462.A N ILE 567.A O no hydrogen 2.930 N/A TYR 464.A N VAL 565.A O no hydrogen 2.824 N/A TYR 464.A OH ASP 419.A OD1 no hydrogen 2.633 N/A GLU 465.A N HIS 406.A O no hydrogen 3.172 N/A THR 466.A N ILE 563.A O no hydrogen 2.994 N/A THR 466.A OG1 GLU 467.A O no hydrogen 3.060 N/A THR 466.A OG1 ILE 563.A O no hydrogen 3.563 N/A LEU 469.A N HIS 561.A O no hydrogen 2.893 N/A VAL 473.A N PHE 557.A O no hydrogen 2.955 N/A ARG 474.A NH1 ASP 376.A OD1 no hydrogen 3.051 N/A ARG 474.A NH1 ASP 376.A OD2 no hydrogen 2.817 N/A ARG 474.A NH2 ASP 376.A OD2 no hydrogen 2.772 N/A VAL 475.A N HIS 555.A O no hydrogen 2.914 N/A SER 476.A N PRO 614.A O no hydrogen 2.827 N/A SER 476.A OG TYR 382.A OH no hydrogen 3.373 N/A SER 476.A OG ASN 554.A OD1 no hydrogen 2.748 N/A GLY 477.A N VAL 553.A O no hydrogen 2.854 N/A VAL 480.A N LEU 612.A O no hydrogen 2.979 N/A ALA 481.A N PHE 548.A O no hydrogen 2.858 N/A ASP 482.A N SER 610.A O no hydrogen 2.910 N/A LEU 483.A N TYR 546.A O no hydrogen 2.768 N/A PHE 484.A N THR 609.A OG1 no hydrogen 2.910 N/A ALA 485.A N LEU 544.A O no hydrogen 3.004 N/A ALA 486.A N SER 600.A O no hydrogen 2.835 N/A THR 487.A OG1 SER 492.A OG no hydrogen 3.109 N/A THR 487.A OG1 GLN 599.A OE1 no hydrogen 2.737 N/A SER 488.A N THR 598.A O no hydrogen 3.097 N/A GLY 489.A N THR 487.A OG1 no hydrogen 3.155 N/A THR 490.A N GLN 580.A O no hydrogen 3.216 N/A SER 492.A N ASP 491.A OD1 no hydrogen 2.778 N/A SER 492.A OG THR 487.A OG1 no hydrogen 3.109 N/A SER 492.A OG ASP 491.A O no hydrogen 2.621 N/A TRP 494.A N PHE 524.A O no hydrogen 2.853 N/A VAL 495.A N GLN 568.A O no hydrogen 2.791 N/A VAL 496.A N ASP 522.A O no hydrogen 2.980 N/A LYS 497.A N GLN 566.A O no hydrogen 2.847 N/A LYS 497.A NZ GLN 452.A OE1 no hydrogen 2.893 N/A LYS 497.A NZ GLN 566.A OE1 no hydrogen 2.802 N/A LYS 497.A NZ GLN 568.A OE1 no hydrogen 2.814 N/A LEU 498.A N SER 520.A O no hydrogen 2.731 N/A ILE 499.A N MET 564.A O no hydrogen 2.668 N/A ASP 500.A N LEU 517.A O no hydrogen 2.657 N/A VAL 501.A N ARG 562.A O no hydrogen 2.914 N/A GLN 502.A N TYR 515.A O no hydrogen 2.901 N/A GLN 502.A NE2 ASP 500.A O no hydrogen 3.339 N/A THR 506.A OG1 ASP 509.A O no hydrogen 2.815 N/A ASP 509.A N THR 506.A O no hydrogen 2.932 N/A LYS 511.A NZ ASP 509.A OD1 no hydrogen 3.115 N/A LYS 511.A NZ ASP 509.A OD2 no hydrogen 3.266 N/A MET 512.A N ASP 509.A O no hydrogen 3.054 N/A GLY 513.A N PRO 510.A O no hydrogen 3.170 N/A GLY 514.A N PRO 503.A O no hydrogen 2.903 N/A TYR 515.A N MET 512.A O no hydrogen 3.067 N/A TYR 515.A OH VAL 449.A O no hydrogen 2.657 N/A GLU 516.A N ASP 451.A OD2 no hydrogen 2.850 N/A LEU 517.A N ASP 500.A O no hydrogen 3.017 N/A VAL 519.A N LEU 498.A O no hydrogen 2.961 N/A SER 520.A N LEU 498.A O no hydrogen 3.442 N/A SER 520.A OG PRO 551.A O no hydrogen 2.743 N/A ASP 522.A N VAL 496.A O no hydrogen 3.163 N/A ILE 523.A N ASP 522.A OD2 no hydrogen 2.893 N/A PHE 524.A N TRP 494.A O no hydrogen 2.951 N/A ARG 525.A N TYR 194.A O no hydrogen 3.302 N/A ARG 525.A NE ASP 493.A OD1 no hydrogen 2.905 N/A ARG 525.A NE ASP 493.A OD2 no hydrogen 3.364 N/A ARG 525.A NH1 ASP 493.A OD2 no hydrogen 2.755 N/A ARG 525.A NH1 ASP 576.A O no hydrogen 2.805 N/A ARG 525.A NH1 ASP 576.A OD2 no hydrogen 2.862 N/A ARG 525.A NH2 ASP 576.A OD2 no hydrogen 2.894 N/A GLY 526.A N SER 492.A O no hydrogen 2.736 N/A ARG 527.A NH1 VAL 583.A O no hydrogen 2.781 N/A ARG 527.A NH2 ASP 491.A OD2 no hydrogen 2.814 N/A ARG 527.A NH2 VAL 583.A O no hydrogen 3.048 N/A TYR 528.A N ARG 525.A O no hydrogen 3.008 N/A ARG 529.A N GLY 526.A O no hydrogen 2.992 N/A ARG 529.A NH1 HIS 545.A O no hydrogen 3.011 N/A ALA 533.A N ASP 531.A OD2 no hydrogen 2.913 N/A GLU 536.A N ARG 527.A O no hydrogen 2.784 N/A LEU 538.A N THR 490.A O no hydrogen 2.772 N/A ASP 541.A N THR 487.A O no hydrogen 2.654 N/A ALA 542.A N GLN 539.A O no hydrogen 3.198 N/A LEU 544.A N ALA 485.A O no hydrogen 2.891 N/A HIS 545.A NE2 ASP 482.A OD1 no hydrogen 2.657 N/A TYR 546.A N LEU 483.A O no hydrogen 2.621 N/A HIS 547.A ND1 ASP 482.A OD1 no hydrogen 2.862 N/A HIS 547.A NE2 GLU 390.A OE1 no hydrogen 2.634 N/A PHE 548.A N ALA 481.A O no hydrogen 3.176 N/A LEU 550.A N PRO 479.A O no hydrogen 2.828 N/A VAL 553.A N GLY 477.A O no hydrogen 2.792 N/A ASN 554.A ND2 TYR 372.A O no hydrogen 3.146 N/A ASN 554.A ND2 ASP 380.A OD2 no hydrogen 2.907 N/A HIS 555.A N VAL 475.A O no hydrogen 2.972 N/A HIS 555.A ND1 THR 374.A OG1 no hydrogen 2.777 N/A HIS 555.A NE2 ASP 500.A OD1 no hydrogen 2.538 N/A PHE 557.A N VAL 473.A O no hydrogen 2.840 N/A GLY 560.A N LEU 469.A O no hydrogen 2.992 N/A HIS 561.A N ALA 558.A O no hydrogen 3.093 N/A HIS 561.A ND1 ASP 500.A OD2 no hydrogen 2.737 N/A ARG 562.A N VAL 501.A O no hydrogen 3.080 N/A ARG 562.A NH2 THR 466.A O no hydrogen 3.033 N/A ILE 563.A N THR 466.A OG1 no hydrogen 3.025 N/A MET 564.A N ILE 499.A O no hydrogen 2.756 N/A VAL 565.A N TYR 464.A O no hydrogen 2.868 N/A GLN 566.A N LYS 497.A O no hydrogen 3.089 N/A GLN 566.A NE2 GLN 452.A O no hydrogen 3.184 N/A ILE 567.A N VAL 462.A O no hydrogen 2.935 N/A GLN 568.A N VAL 495.A O no hydrogen 3.139 N/A GLN 568.A NE2 SER 570.A O no hydrogen 2.850 N/A SER 569.A OG TYR 421.A OH no hydrogen 2.813 N/A SER 569.A OG ASP 493.A O no hydrogen 2.997 N/A PHE 572.A N VAL 429.A O no hydrogen 2.822 N/A TYR 575.A N TRP 571.A O no hydrogen 2.912 N/A ASP 576.A N PHE 197.A O no hydrogen 3.158 N/A ARG 577.A NH1 GLY 233.A O no hydrogen 2.982 N/A ARG 577.A NH2 PRO 425.A O no hydrogen 2.855 N/A ASN 578.A ND2 ASP 491.A OD1 no hydrogen 3.150 N/A ASN 578.A ND2 ASP 493.A OD1 no hydrogen 2.912 N/A GLN 580.A N ASN 578.A OD1 no hydrogen 2.898 N/A GLN 580.A NE2 SER 423.A O no hydrogen 3.077 N/A GLN 580.A NE2 THR 595.A O no hydrogen 2.723 N/A LYS 581.A NZ ASP 593.A OD2 no hydrogen 3.308 N/A PHE 582.A N THR 490.A OG1 no hydrogen 2.836 N/A ASN 585.A ND2 HIS 254.A O no hydrogen 3.064 N/A PHE 587.A N ASN 585.A OD1 no hydrogen 3.109 N/A ASP 588.A N ASN 585.A O no hydrogen 3.028 N/A ALA 589.A N ILE 586.A O no hydrogen 3.275 N/A LYS 590.A N ASP 593.A OD1 no hydrogen 2.756 N/A ASP 593.A N LYS 590.A O no hydrogen 2.815 N/A THR 595.A N PRO 579.A O no hydrogen 2.768 N/A THR 595.A OG1 ASP 593.A O no hydrogen 2.698 N/A ALA 597.A N SER 423.A O no hydrogen 3.018 N/A THR 598.A N SER 488.A OG no hydrogen 2.908 N/A GLN 599.A N TYR 421.A O no hydrogen 2.728 N/A GLN 599.A NE2 SER 492.A OG no hydrogen 3.045 N/A GLN 599.A NE2 SER 569.A OG no hydrogen 2.873 N/A SER 600.A N ALA 486.A O no hydrogen 2.804 N/A ILE 601.A N ASP 419.A O no hydrogen 2.811 N/A HIS 602.A N PHE 484.A O no hydrogen 3.048 N/A HIS 602.A NE2 ASP 416.A OD1 no hydrogen 2.800 N/A HIS 603.A N GLY 417.A O no hydrogen 2.867 N/A GLY 605.A N PRO 413.A O no hydrogen 3.021 N/A THR 609.A N HIS 602.A O no hydrogen 3.370 N/A THR 609.A OG1 HIS 602.A O no hydrogen 2.760 N/A SER 610.A N ASP 482.A O no hydrogen 3.011 N/A ILE 611.A N LEU 400.A O no hydrogen 3.168 N/A LEU 612.A N VAL 480.A O no hydrogen 2.687 N/A LEU 613.A N THR 398.A O no hydrogen 2.875 N/A VAL 616.A N ARG 474.A O no hydrogen 2.945 N/A