Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qf2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N GLU 23.A OE1 no hydrogen 3.005 N/A SER 3.A N ASP 1.A OD1 no hydrogen 3.209 N/A SER 3.A OG ASP 1.A OD1 no hydrogen 2.872 N/A LYS 5.A N PHE 2.A O no hydrogen 3.006 N/A VAL 6.A N SER 3.A O no hydrogen 3.176 N/A ILE 7.A N ILE 34.A O no hydrogen 2.867 N/A GLN 8.A NE2 ILE 36.A O no hydrogen 3.139 N/A GLN 8.A NE2 GLU 43.A OE1 no hydrogen 2.642 N/A ASP 12.A N SER 10.A OG no hydrogen 3.021 N/A SER 13.A N SER 10.A O no hydrogen 3.190 N/A SER 13.A OG.B SER 10.A O no hydrogen 2.637 N/A LEU 14.A N LEU 11.A O no hydrogen 3.336 N/A ARG 19.A N PRO 15.A O no hydrogen 2.884 N/A ARG 19.A NE GLU 23.A OE2 no hydrogen 2.822 N/A ARG 19.A NH1 ASP 12.A OD1 no hydrogen 2.764 N/A LYS 20.A N GLN 16.A O no hydrogen 3.139 N/A PHE 21.A N GLU 17.A O no hydrogen 3.200 N/A VAL 22.A N VAL 18.A O no hydrogen 2.993 N/A GLU 23.A N ARG 19.A O no hydrogen 2.848 N/A GLY 24.A N LYS 20.A O no hydrogen 3.005 N/A ASN 25.A N PHE 21.A O no hydrogen 3.297 N/A ASN 25.A ND2 PHE 21.A O no hydrogen 3.199 N/A ALA 26.A N VAL 22.A O no hydrogen 2.869 N/A GLN 27.A N GLU 23.A O no hydrogen 2.892 N/A LEU 28.A N GLY 24.A O no hydrogen 3.142 N/A CYS 29.A N ASN 25.A O no hydrogen 2.800 N/A CYS 29.A SG PHE 121.A O no hydrogen 3.957 N/A GLN 30.A N ALA 26.A O no hydrogen 2.853 N/A GLU 32.A N ARG 128.A O no hydrogen 2.710 N/A TYR 33.A N ARG 128.A O no hydrogen 3.379 N/A ILE 34.A N LYS 5.A O no hydrogen 2.850 N/A HIS 35.A N MET 130.A O no hydrogen 2.875 N/A HIS 35.A NE2 GLU 43.A OE1 no hydrogen 2.876 N/A ILE 36.A N GLN 8.A O no hydrogen 2.982 N/A CYS 37.A N VAL 132.A O no hydrogen 2.811 N/A CYS 37.A SG VAL 132.A O no hydrogen 3.396 N/A ASP 38.A N GLU 43.A OE1 no hydrogen 2.892 N/A GLY 39.A N GLU 43.A OE2 no hydrogen 2.780 N/A SER 40.A N ASP 38.A OD1 no hydrogen 2.877 N/A SER 40.A OG ASP 38.A OD1 no hydrogen 2.778 N/A SER 40.A OG ASP 38.A OD2 no hydrogen 3.415 N/A GLU 43.A N SER 40.A OG no hydrogen 3.136 N/A TYR 44.A N SER 40.A O no hydrogen 3.135 N/A GLY 45.A N GLU 41.A O no hydrogen 2.880 N/A ARG 46.A N GLU 42.A O no hydrogen 3.042 N/A LEU 47.A N GLU 43.A O no hydrogen 3.007 N/A LEU 48.A N TYR 44.A O no hydrogen 2.970 N/A ALA 49.A N GLY 45.A O no hydrogen 2.957 N/A HIS 50.A N ARG 46.A O no hydrogen 2.880 N/A MET 51.A N LEU 47.A O no hydrogen 2.975 N/A GLN 52.A N LEU 48.A O no hydrogen 2.924 N/A GLU 53.A N ALA 49.A O no hydrogen 2.897 N/A GLU 54.A N HIS 50.A O no hydrogen 2.969 N/A GLY 55.A N GLN 52.A O no hydrogen 3.135 N/A VAL 56.A N MET 51.A O no hydrogen 2.837 N/A ILE 57.A N MET 51.A O no hydrogen 3.483 N/A ARG 58.A N LEU 68.A O no hydrogen 2.861 N/A ARG 58.A NE GLU 353.A OE1 no hydrogen 3.034 N/A ARG 58.A NH2 GLU 353.A OE2 no hydrogen 3.079 N/A LEU 60.A N CYS 66.A O no hydrogen 2.877 N/A LYS 62.A N GLY 357.A O no hydrogen 3.231 N/A TYR 63.A N LEU 60.A O no hydrogen 3.271 N/A CYS 66.A SG ASP 64.A O no hydrogen 3.674 N/A CYS 66.A SG ILE 342.A O no hydrogen 3.890 N/A CYS 66.A SG GLN 343.A O no hydrogen 3.675 N/A TRP 67.A N THR 346.A O no hydrogen 3.048 N/A LEU 68.A N ARG 58.A O no hydrogen 2.779 N/A ALA 69.A N PHE 348.A O no hydrogen 2.832 N/A THR 71.A N ASN 350.A OD1 no hydrogen 2.807 N/A THR 71.A OG1 ASP 72.A O no hydrogen 3.038 N/A THR 71.A OG1 ASP 75.A O no hydrogen 3.105 N/A ARG 74.A N ASP 72.A OD1 no hydrogen 3.121 N/A ARG 74.A NE ASP 72.A OD1 no hydrogen 3.166 N/A ARG 74.A NE ASP 72.A OD2 no hydrogen 3.364 N/A ARG 74.A NH2 ASP 72.A OD2 no hydrogen 2.757 N/A ASP 75.A N ASP 72.A O no hydrogen 2.946 N/A ARG 78.A NH1 GLU 80.A OE2 no hydrogen 3.139 N/A GLU 80.A N GLU 460.A OE1 no hydrogen 2.716 N/A SER 81.A N GLU 460.A OE2 no hydrogen 3.120 N/A LYS 82.A N ILE 79.A O no hydrogen 3.152 N/A THR 83.A N GLU 80.A O no hydrogen 3.295 N/A THR 83.A OG1 ILE 79.A O no hydrogen 2.659 N/A VAL 84.A N ILE 210.A O no hydrogen 2.864 N/A ILE 85.A N ARG 106.A O no hydrogen 2.968 N/A ILE 86.A N HIS 212.A O no hydrogen 2.859 N/A THR 87.A OG1 GLU 89.A O no hydrogen 2.804 N/A THR 87.A OG1 THR 93.A OG1 no hydrogen 2.793 N/A ARG 91.A NE ASP 594.A OD1 no hydrogen 3.191 N/A ARG 91.A NE ASP 594.A OD2 no hydrogen 3.092 N/A ARG 91.A NH2 ASP 594.A OD1 no hydrogen 2.688 N/A ASP 92.A N GLU 89.A O no hydrogen 3.119 N/A THR 93.A N GLN 90.A O no hydrogen 2.892 N/A THR 93.A OG1 THR 87.A OG1 no hydrogen 2.793 N/A VAL 94.A N GLN 90.A O no hydrogen 3.026 N/A LYS 98.A N ASP 589.A O no hydrogen 2.849 N/A LYS 98.A NZ GLU 588.A OE2 no hydrogen 3.526 N/A SER 99.A N ASP 589.A OD2 no hydrogen 2.702 N/A SER 99.A OG ASP 589.A OD1 no hydrogen 2.822 N/A SER 99.A OG ASP 589.A OD2 no hydrogen 2.786 N/A GLY 100.A N PRO 97.A O no hydrogen 3.245 N/A GLN 103.A N GLN 590.A OE1 no hydrogen 2.685 N/A LEU 104.A N SER 102.A OG no hydrogen 3.040 N/A TRP 107.A NE1 THR 87.A O no hydrogen 2.889 N/A MET 108.A N ILE 85.A O no hydrogen 3.107 N/A GLU 111.A N GLU 111.A OE1 no hydrogen 2.807 N/A ASP 112.A N SER 109.A OG no hydrogen 2.986 N/A PHE 113.A N SER 109.A O no hydrogen 2.958 N/A GLU 114.A N GLU 110.A O no hydrogen 2.982 N/A LYS 115.A N GLU 111.A O no hydrogen 3.259 N/A ALA 116.A N ASP 112.A O no hydrogen 3.072 N/A PHE 117.A N PHE 113.A O no hydrogen 2.745 N/A ASN 118.A N GLU 114.A O no hydrogen 3.002 N/A ALA 119.A N LYS 115.A O no hydrogen 3.105 N/A ALA 119.A N ALA 116.A O no hydrogen 3.214 N/A ARG 120.A N PHE 117.A O no hydrogen 3.004 N/A ARG 120.A NE LEU 207.A O no hydrogen 2.879 N/A ARG 120.A NH1 ALA 116.A O no hydrogen 2.906 N/A PHE 121.A N PHE 117.A O no hydrogen 2.981 N/A GLY 123.A N LEU 28.A O no hydrogen 2.938 N/A CYS 124.A N PHE 121.A O no hydrogen 3.019 N/A CYS 124.A SG PHE 121.A O no hydrogen 3.249 N/A CYS 124.A SG SER 186.A OG no hydrogen 3.372 N/A MET 125.A N CYS 29.A O no hydrogen 2.846 N/A LYS 126.A N GLY 123.A O no hydrogen 3.123 N/A ARG 128.A N MET 125.A O no hydrogen 2.890 N/A ARG 128.A NE CYS 189.A O no hydrogen 3.057 N/A ARG 128.A NH2 CYS 189.A O no hydrogen 2.816 N/A MET 130.A N TYR 33.A O no hydrogen 2.774 N/A TYR 131.A N THR 152.A O no hydrogen 2.778 N/A VAL 132.A N HIS 35.A O no hydrogen 2.747 N/A ILE 133.A N GLU 150.A O no hydrogen 2.789 N/A PHE 135.A N GLY 148.A O no hydrogen 2.936 N/A SER 136.A N ARG 166.A O no hydrogen 2.761 N/A SER 136.A OG GLY 138.A O no hydrogen 3.457 N/A MET 137.A N LYS 146.A O no hydrogen 2.760 N/A GLY 138.A N PRO 319.A O no hydrogen 2.747 N/A SER 142.A N PRO 139.A O.A no hydrogen 3.358 N/A SER 142.A N PRO 139.A O.B no hydrogen 2.582 N/A SER 142.A OG PRO 414.A O no hydrogen 2.747 N/A LEU 144.A N SER 142.A OG no hydrogen 3.065 N/A ALA 145.A N SER 142.A O no hydrogen 3.007 N/A LYS 146.A N MET 137.A O no hydrogen 3.023 N/A LYS 146.A NZ.A GLU 249.A OE1 no hydrogen 3.030 N/A LYS 146.A NZ.B GLU 179.A OE2.B no hydrogen 3.344 N/A GLY 148.A N PHE 135.A O no hydrogen 2.799 N/A ILE 149.A N ILE 181.A O no hydrogen 3.067 N/A GLU 150.A N ILE 133.A O no hydrogen 2.879 N/A LEU 151.A N CYS 183.A O no hydrogen 2.834 N/A THR 152.A N TYR 131.A O no hydrogen 3.076 N/A THR 152.A OG1 HIS 185.A ND1 no hydrogen 2.793 N/A SER 154.A N THR 152.A OG1 no hydrogen 2.988 N/A TYR 156.A OH THR 349.A OG1 no hydrogen 2.604 N/A VAL 157.A N SER 154.A OG no hydrogen 3.090 N/A VAL 158.A N SER 154.A O no hydrogen 3.174 N/A ALA 159.A N PRO 155.A O no hydrogen 2.946 N/A SER 160.A N TYR 156.A O no hydrogen 3.070 N/A SER 160.A OG TYR 156.A O no hydrogen 3.035 N/A MET 161.A N VAL 157.A O no hydrogen 2.879 N/A ARG 162.A N VAL 158.A O no hydrogen 3.062 N/A ARG 162.A NE GLY 39.A O no hydrogen 2.911 N/A ARG 162.A NH2 GLY 39.A O no hydrogen 2.950 N/A MET 164.A N SER 160.A O no hydrogen 2.932 N/A THR 165.A N MET 161.A O no hydrogen 2.915 N/A THR 165.A OG1 MET 161.A O no hydrogen 2.738 N/A ARG 166.A N SER 136.A O no hydrogen 3.365 N/A ARG 166.A NH1 GLU 320.A O no hydrogen 3.014 N/A ARG 166.A NH2 GLU 412.A OE1 no hydrogen 2.921 N/A GLY 168.A N PRO 134.A O no hydrogen 2.998 N/A THR 169.A N ASP 38.A O no hydrogen 3.065 N/A VAL 171.A N GLY 168.A O no hydrogen 3.143 N/A LEU 172.A N GLY 168.A O no hydrogen 3.439 N/A GLU 173.A N THR 169.A O no hydrogen 2.968 N/A ALA 174.A N SER 170.A O no hydrogen 2.950 N/A LEU 175.A N VAL 171.A O no hydrogen 2.884 N/A GLY 176.A N LEU 172.A O no hydrogen 3.349 N/A GLY 178.A N LEU 175.A O no hydrogen 2.962 N/A ILE 181.A N ILE 147.A O no hydrogen 3.062 N/A LYS 182.A N ARG 217.A O no hydrogen 3.011 N/A CYS 183.A N ILE 149.A O no hydrogen 2.894 N/A CYS 183.A SG ILE 181.A O no hydrogen 3.892 N/A LEU 184.A N ILE 219.A O no hydrogen 2.849 N/A HIS 185.A N LEU 151.A O no hydrogen 2.744 N/A HIS 185.A ND1 THR 152.A OG1 no hydrogen 2.793 N/A HIS 185.A NE2 SER 224.A O no hydrogen 2.758 N/A SER 186.A N SER 221.A O no hydrogen 3.078 N/A SER 186.A OG ASP 153.A OD2 no hydrogen 2.721 N/A VAL 187.A N ASP 153.A OD1 no hydrogen 3.023 N/A GLY 188.A N SER 186.A OG no hydrogen 3.050 N/A CYS 189.A SG VAL 187.A O no hydrogen 3.885 N/A CYS 189.A SG CYS 203.A O no hydrogen 3.118 N/A LEU 191.A N LYS 126.A O no hydrogen 2.822 N/A TRP 201.A N VAL 198.A O no hydrogen 3.109 N/A TRP 201.A NE1 ASP 75.A OD2 no hydrogen 2.819 N/A CYS 203.A SG ASP 72.A OD2 no hydrogen 3.480 N/A CYS 203.A SG TRP 201.A O no hydrogen 3.915 N/A ASN 204.A N GLY 223.A O no hydrogen 2.747 N/A GLU 206.A N GLU 206.A OE2 no hydrogen 2.777 N/A LEU 207.A N ASN 204.A O no hydrogen 3.202 N/A THR 208.A N PRO 205.A O no hydrogen 3.340 N/A THR 208.A OG1 ASN 204.A O no hydrogen 2.947 N/A THR 208.A OG1 PRO 205.A O no hydrogen 3.440 N/A LEU 209.A N PHE 222.A O no hydrogen 2.934 N/A ILE 210.A N LYS 82.A O no hydrogen 2.781 N/A ALA 211.A N ILE 220.A O no hydrogen 2.820 N/A HIS 212.A N VAL 84.A O no hydrogen 2.932 N/A HIS 212.A ND1 VAL 84.A O no hydrogen 2.909 N/A LEU 213.A N GLU 218.A O no hydrogen 2.754 N/A ARG 216.A N LEU 213.A O no hydrogen 2.946 N/A ARG 216.A NE GLU 218.A OE1 no hydrogen 3.081 N/A ARG 216.A NH2 GLU 218.A OE1 no hydrogen 2.810 N/A ARG 217.A N PRO 214.A O no hydrogen 3.160 N/A ARG 217.A NH1.A PRO 214.A O no hydrogen 2.733 N/A ARG 217.A NH2.A GLU 248.A OE2 no hydrogen 3.272 N/A GLU 218.A N LEU 213.A O no hydrogen 3.141 N/A ILE 219.A N LYS 182.A O no hydrogen 2.773 N/A ILE 220.A N ALA 211.A O no hydrogen 2.899 N/A SER 221.A N LEU 184.A O no hydrogen 2.831 N/A SER 221.A OG ASN 229.A O no hydrogen 2.681 N/A PHE 222.A N LEU 209.A O no hydrogen 2.896 N/A GLY 223.A N SER 186.A O no hydrogen 2.813 N/A SER 224.A OG ASP 75.A OD1 no hydrogen 2.518 N/A SER 224.A OG ASP 75.A OD2 no hydrogen 3.542 N/A SER 224.A OG ASN 229.A OD1 no hydrogen 2.896 N/A GLY 225.A N ASP 75.A OD2 no hydrogen 2.773 N/A TYR 226.A N SER 224.A OG no hydrogen 3.140 N/A TYR 226.A OH ASN 394.A O no hydrogen 2.915 N/A ASN 229.A N TYR 226.A O no hydrogen 2.811 N/A SER 230.A N TYR 226.A O no hydrogen 3.029 N/A SER 230.A N GLY 227.A O no hydrogen 3.100 N/A SER 230.A OG GLY 225.A O no hydrogen 2.984 N/A LEU 231.A N GLY 227.A O no hydrogen 2.792 N/A LEU 232.A N GLU 150.A OE1 no hydrogen 3.083 N/A LYS 234.A N LEU 231.A O no hydrogen 3.228 N/A LYS 234.A NZ ASP 302.A OD2 no hydrogen 2.751 N/A LYS 234.A NZ GLU 320.A OE1 no hydrogen 3.080 N/A LYS 234.A NZ GLU 320.A OE2 no hydrogen 2.861 N/A LYS 235.A NZ ASP 302.A OD1 no hydrogen 3.315 N/A LYS 235.A NZ ASP 302.A OD2 no hydrogen 2.852 N/A CYS 236.A SG HIS 212.A NE2 no hydrogen 3.351 N/A CYS 236.A SG GLY 228.A O no hydrogen 3.893 N/A PHE 237.A N LEU 232.A O no hydrogen 3.010 N/A ALA 238.A N GLY 233.A O no hydrogen 2.904 N/A LEU 239.A N LYS 235.A O no hydrogen 3.133 N/A ARG 240.A N LYS 235.A O no hydrogen 2.970 N/A ARG 240.A NE PRO 475.A O no hydrogen 2.962 N/A ARG 240.A NH1 HIS 212.A NE2 no hydrogen 3.145 N/A ARG 240.A NH2 PRO 475.A O no hydrogen 2.941 N/A ILE 241.A N CYS 236.A O no hydrogen 2.974 N/A ALA 242.A N PHE 237.A O no hydrogen 2.790 N/A SER 243.A N LEU 239.A O no hydrogen 2.838 N/A SER 243.A OG LEU 239.A O no hydrogen 2.827 N/A SER 243.A OG ARG 240.A O no hydrogen 3.112 N/A ARG 244.A NE.B GLU 248.A OE1 no hydrogen 3.160 N/A ARG 244.A NH2.A ASP 215.A OD2 no hydrogen 2.461 N/A ARG 244.A NH2.B ASP 215.A OD2 no hydrogen 2.976 N/A ARG 244.A NH2.B GLU 248.A OE1 no hydrogen 3.491 N/A LEU 245.A N ILE 241.A O no hydrogen 3.073 N/A ALA 246.A N ALA 242.A O no hydrogen 2.678 N/A LYS 247.A N SER 243.A O no hydrogen 2.956 N/A GLU 248.A N ARG 244.A O no hydrogen 3.040 N/A GLU 249.A N LEU 245.A O no hydrogen 2.845 N/A GLU 249.A N ALA 246.A O no hydrogen 3.283 N/A GLY 250.A N ALA 246.A O no hydrogen 2.860 N/A TRP 251.A N ALA 246.A O no hydrogen 2.966 N/A TRP 251.A NE1 GLU 249.A OE1 no hydrogen 2.992 N/A LEU 252.A N MET 306.A O no hydrogen 2.794 N/A GLU 254.A N ALA 304.A O no hydrogen 2.920 N/A HIS 255.A ND1 ALA 472.A O no hydrogen 2.813 N/A HIS 255.A NE2 ASP 302.A OD1 no hydrogen 3.150 N/A LEU 257.A N ALA 273.A O no hydrogen 2.978 N/A ILE 258.A N GLY 300.A O no hydrogen 2.966 N/A LEU 259.A N LEU 271.A O no hydrogen 2.923 N/A GLY 260.A N GLU 297.A O no hydrogen 2.809 N/A ILE 261.A N LYS 269.A O no hydrogen 2.772 N/A THR 262.A N LYS 295.A O no hydrogen 2.864 N/A ASN 263.A N LYS 267.A O no hydrogen 2.911 N/A GLU 265.A N ASN 263.A OD1 no hydrogen 2.935 N/A GLY 266.A N ASN 263.A O no hydrogen 3.100 N/A LYS 267.A N ASN 263.A OD1 no hydrogen 2.962 N/A LYS 267.A NZ GLU 265.A O no hydrogen 3.430 N/A LYS 268.A NZ TYR 270.A OH no hydrogen 3.233 N/A LYS 268.A NZ GLU 297.A OE1 no hydrogen 2.894 N/A LYS 268.A NZ ASP 408.A OD1 no hydrogen 2.729 N/A LYS 269.A N ILE 261.A O no hydrogen 2.937 N/A LYS 269.A NZ GLU 420.A OE1 no hydrogen 2.706 N/A TYR 270.A OH ASP 408.A OD1 no hydrogen 3.351 N/A TYR 270.A OH ASP 408.A OD2 no hydrogen 2.595 N/A LEU 271.A N LEU 259.A O no hydrogen 2.843 N/A ALA 272.A N GLY 421.A O no hydrogen 2.966 N/A ALA 273.A N LEU 257.A O no hydrogen 3.118 N/A ALA 274.A N ILE 423.A O no hydrogen 2.818 N/A CYS 279.A SG.A SER 277.A O.A no hydrogen 3.592 N/A CYS 279.A SG.A SER 277.A O.B no hydrogen 2.218 N/A CYS 279.A SG.A SER 453.A OG no hydrogen 3.603 N/A CYS 279.A SG.B SER 277.A O.B no hydrogen 3.366 N/A CYS 279.A SG.B SER 453.A OG no hydrogen 3.203 N/A LYS 281.A NZ HIS 255.A NE2 no hydrogen 3.403 N/A LYS 281.A NZ PHE 275.A O no hydrogen 2.950 N/A LYS 281.A NZ PRO 276.A O.A no hydrogen 3.364 N/A THR 282.A OG1 ASP 301.A OD2 no hydrogen 2.546 N/A LEU 284.A N GLY 280.A O.A no hydrogen 2.990 N/A LEU 284.A N GLY 280.A O.B no hydrogen 3.382 N/A ALA 285.A N LYS 281.A O no hydrogen 2.881 N/A MET 286.A N THR 282.A O no hydrogen 3.219 N/A MET 287.A N LEU 284.A O no hydrogen 3.280 N/A THR 290.A N GLY 522.A O no hydrogen 3.335 N/A THR 290.A OG1 GLY 522.A O no hydrogen 3.345 N/A THR 290.A OG1 GLU 523.A OE1 no hydrogen 2.914 N/A TRP 294.A N LEU 291.A O no hydrogen 3.405 N/A LYS 295.A N THR 262.A O no hydrogen 3.037 N/A GLU 297.A N GLY 260.A O no hydrogen 2.766 N/A CYS 298.A N ILE 406.A O no hydrogen 2.866 N/A VAL 299.A N ILE 258.A O no hydrogen 2.983 N/A GLY 300.A N ILE 258.A O no hydrogen 3.157 N/A ALA 304.A N GLU 254.A O no hydrogen 2.895 N/A TRP 305.A N ILE 317.A O no hydrogen 2.965 N/A TRP 305.A NE1 ALA 238.A O no hydrogen 2.917 N/A MET 306.A N LEU 252.A O no hydrogen 2.810 N/A LYS 307.A N ARG 315.A O no hydrogen 2.871 N/A ASP 309.A N ASN 313.A O no hydrogen 2.934 N/A GLN 311.A N ASP 309.A OD1 no hydrogen 2.881 N/A GLY 312.A N ASP 309.A O no hydrogen 3.028 N/A ASN 313.A N ASP 309.A OD1 no hydrogen 3.004 N/A ARG 315.A N LYS 307.A O no hydrogen 2.971 N/A ARG 315.A NH1 GLY 416.A O no hydrogen 2.827 N/A ALA 316.A N VAL 417.A O no hydrogen 2.818 N/A ILE 317.A N TRP 305.A O no hydrogen 2.891 N/A ASN 318.A ND2 VAL 299.A O no hydrogen 2.965 N/A GLU 320.A N ASN 318.A OD1 no hydrogen 2.948 N/A ASN 321.A N MET 164.A O no hydrogen 2.815 N/A ASN 321.A ND2 THR 165.A O no hydrogen 3.012 N/A PHE 323.A N THR 399.A O no hydrogen 2.847 N/A GLY 325.A N PHE 397.A O no hydrogen 2.997 N/A ALA 327.A N SER 395.A O no hydrogen 2.918 N/A GLY 329.A N GLU 362.A O no hydrogen 2.750 N/A THR 330.A N ALA 327.A O no hydrogen 3.002 N/A THR 330.A OG1 VAL 326.A O no hydrogen 3.216 N/A THR 330.A OG1 ALA 327.A O no hydrogen 2.744 N/A SER 331.A N THR 334.A OG1 no hydrogen 3.141 N/A SER 331.A OG THR 334.A OG1 no hydrogen 2.962 N/A THR 334.A N SER 331.A OG no hydrogen 3.241 N/A THR 334.A OG1 GLY 329.A O no hydrogen 2.971 N/A THR 334.A OG1 SER 331.A O no hydrogen 3.491 N/A THR 334.A OG1 SER 331.A OG no hydrogen 2.962 N/A ASN 335.A N SER 331.A O no hydrogen 2.771 N/A ASN 337.A ND2 MET 286.A O no hydrogen 2.939 N/A ALA 338.A N ASN 335.A OD1 no hydrogen 3.117 N/A ILE 339.A N ASN 335.A O no hydrogen 3.236 N/A LYS 340.A N PRO 336.A O no hydrogen 3.089 N/A THR 341.A N ASN 337.A O no hydrogen 3.012 N/A THR 341.A OG1 ASN 337.A O no hydrogen 2.683 N/A ILE 342.A N ALA 338.A O no hydrogen 3.043 N/A ASN 345.A N ASP 64.A O no hydrogen 2.968 N/A ASN 345.A ND2 GLN 403.A OE1 no hydrogen 2.930 N/A THR 346.A OG1 LYS 344.A O no hydrogen 2.807 N/A THR 346.A OG1 THR 399.A OG1 no hydrogen 2.867 N/A ILE 347.A N CYS 398.A O no hydrogen 3.047 N/A PHE 348.A N TRP 67.A O no hydrogen 2.772 N/A THR 349.A N ARG 396.A O no hydrogen 2.977 N/A THR 349.A OG1 TYR 156.A OH no hydrogen 2.604 N/A ASN 350.A N ALA 69.A O no hydrogen 2.819 N/A ASN 350.A ND2 THR 71.A OG1 no hydrogen 2.914 N/A ALA 352.A N TYR 360.A O no hydrogen 2.881 N/A GLU 353.A N THR 375.A O no hydrogen 2.851 N/A THR 354.A N GLY 358.A O no hydrogen 2.889 N/A SER 355.A N THR 373.A O no hydrogen 2.872 N/A SER 355.A OG.B THR 373.A O no hydrogen 3.515 N/A SER 355.A OG.B THR 373.A OG1 no hydrogen 2.481 N/A GLY 357.A N THR 354.A O no hydrogen 2.881 N/A GLY 358.A N THR 354.A OG1 no hydrogen 3.068 N/A VAL 359.A N TYR 63.A OH no hydrogen 2.839 N/A TYR 360.A N ALA 352.A O no hydrogen 2.912 N/A TYR 360.A OH GLU 366.A O no hydrogen 3.022 N/A TRP 361.A NE1 THR 330.A O no hydrogen 2.788 N/A ILE 364.A N TRP 361.A O no hydrogen 3.148 N/A VAL 372.A N ALA 369.A O no hydrogen 3.145 N/A THR 373.A N SER 355.A OG.A no hydrogen 3.041 N/A THR 373.A OG1 SER 355.A OG.B no hydrogen 2.481 N/A THR 375.A N GLU 353.A O no hydrogen 2.745 N/A THR 375.A OG1 GLU 381.A OE1 no hydrogen 2.994 N/A SER 376.A N LYS 380.A O no hydrogen 2.791 N/A SER 376.A OG LYS 380.A O no hydrogen 3.402 N/A TRP 377.A N CYS 390.A O no hydrogen 2.829 N/A LYS 378.A N SER 376.A OG no hydrogen 3.189 N/A ASN 379.A N SER 376.A O no hydrogen 2.995 N/A TRP 382.A N ILE 374.A O no hydrogen 2.987 N/A TRP 382.A NE1 GLU 388.A O no hydrogen 2.768 N/A ARG 383.A N ASP 386.A OD2 no hydrogen 2.729 N/A ASP 386.A N ARG 383.A O no hydrogen 2.993 N/A CYS 390.A N GLU 362.A OE1 no hydrogen 2.798 N/A CYS 390.A SG GLU 362.A OE1 no hydrogen 3.507 N/A CYS 390.A SG GLU 362.A OE2 no hydrogen 3.625 N/A ALA 391.A N GLU 362.A OE2 no hydrogen 3.173 N/A HIS 392.A N ASN 350.A O no hydrogen 3.113 N/A ASN 394.A N HIS 392.A ND1 no hydrogen 2.888 N/A ASN 394.A ND2 VAL 76.A O no hydrogen 3.179 N/A SER 395.A N HIS 392.A O no hydrogen 2.937 N/A SER 395.A OG.A HIS 392.A O no hydrogen 2.871 N/A SER 395.A OG.B ASN 350.A O no hydrogen 2.548 N/A SER 395.A OG.B HIS 392.A O no hydrogen 2.331 N/A ARG 396.A N THR 349.A O no hydrogen 3.056 N/A ARG 396.A NH1 PHE 324.A O no hydrogen 2.777 N/A ARG 396.A NH2 ASN 394.A OD1 no hydrogen 2.977 N/A PHE 397.A N GLY 325.A O no hydrogen 2.959 N/A CYS 398.A N ILE 347.A O no hydrogen 2.799 N/A CYS 398.A SG SER 160.A O no hydrogen 3.980 N/A THR 399.A N PHE 323.A O no hydrogen 2.960 N/A THR 399.A OG1 THR 341.A O no hydrogen 3.316 N/A THR 399.A OG1 THR 346.A OG1 no hydrogen 2.867 N/A ALA 401.A N ASN 321.A O no hydrogen 3.126 N/A GLN 403.A N PRO 400.A O no hydrogen 3.238 N/A GLN 403.A NE2 THR 341.A O no hydrogen 2.938 N/A GLN 403.A NE2 LYS 344.A O no hydrogen 2.858 N/A CYS 404.A N ALA 401.A O no hydrogen 3.043 N/A ILE 407.A N CYS 404.A O no hydrogen 3.106 N/A ASP 408.A N CYS 298.A O no hydrogen 2.886 N/A ALA 410.A N ASP 408.A OD2 no hydrogen 2.959 N/A TRP 411.A N ASP 408.A O no hydrogen 3.028 N/A SER 413.A N ALA 410.A O no hydrogen 3.078 N/A SER 413.A OG.B GLU 415.A OE1 no hydrogen 2.528 N/A GLY 416.A N SER 413.A O no hydrogen 3.051 N/A VAL 417.A N ALA 316.A O no hydrogen 2.849 N/A ILE 419.A N LEU 314.A O no hydrogen 2.796 N/A GLU 420.A N TYR 270.A O no hydrogen 2.900 N/A ILE 422.A N LYS 501.A O no hydrogen 2.906 N/A ILE 423.A N ALA 272.A O no hydrogen 2.834 N/A PHE 424.A N PHE 503.A O no hydrogen 2.812 N/A ARG 427.A N SER 453.A OG no hydrogen 2.787 N/A ARG 427.A NE.B ALA 278.A O.A no hydrogen 3.182 N/A ARG 427.A NH1.A ALA 278.A O.B no hydrogen 2.023 N/A ARG 427.A NH1.B ALA 278.A O.A no hydrogen 2.804 N/A ARG 428.A NH1 GLU 579.A OE2 no hydrogen 2.981 N/A ARG 428.A NH2 GLU 579.A OE1 no hydrogen 2.986 N/A VAL 432.A N ALA 430.A O no hydrogen 2.978 N/A TYR 436.A N HIS 504.A O no hydrogen 2.919 N/A GLU 437.A N TYR 548.A O no hydrogen 2.707 N/A ALA 438.A N ILE 502.A O no hydrogen 2.879 N/A LEU 439.A N HIS 443.A ND1 no hydrogen 2.928 N/A SER 440.A OG GLN 442.A OE1 no hydrogen 3.552 N/A TRP 441.A NE1 TRP 488.A O no hydrogen 2.896 N/A HIS 443.A N SER 440.A OG no hydrogen 2.937 N/A GLY 444.A N SER 440.A O no hydrogen 2.764 N/A VAL 445.A N TRP 441.A O no hydrogen 2.804 N/A PHE 446.A N GLN 442.A O no hydrogen 3.060 N/A VAL 447.A N HIS 443.A O no hydrogen 2.877 N/A GLY 448.A N GLY 444.A O no hydrogen 3.080 N/A ALA 449.A N VAL 445.A O no hydrogen 2.887 N/A ALA 450.A N PHE 446.A O no hydrogen 2.814 N/A ALA 450.A N VAL 447.A O no hydrogen 3.224 N/A MET 451.A N GLY 448.A O no hydrogen 3.253 N/A ARG 452.A NH1 GLU 579.A OE2 no hydrogen 2.989 N/A SER 453.A N MET 467.A O no hydrogen 2.799 N/A SER 453.A OG GLU 454.A O no hydrogen 3.551 N/A GLU 454.A N ARG 427.A O no hydrogen 3.072 N/A ALA 455.A N VAL 465.A O no hydrogen 3.104 N/A THR 456.A OG1 SER 277.A O.A no hydrogen 3.044 N/A GLU 460.A N GLU 460.A OE1 no hydrogen 2.797 N/A HIS 461.A NE2 GLU 80.A OE1 no hydrogen 2.991 N/A MET 467.A N SER 453.A O no hydrogen 2.774 N/A HIS 468.A NE2 GLU 582.A OE1 no hydrogen 2.805 N/A ASP 469.A N MET 451.A O no hydrogen 2.979 N/A PHE 471.A N GLY 448.A O no hydrogen 3.017 N/A ALA 472.A N ASP 469.A O no hydrogen 3.026 N/A MET 473.A N PRO 470.A O no hydrogen 2.874 N/A ARG 474.A N ASP 469.A OD1 no hydrogen 2.979 N/A ARG 474.A NH1 HIS 468.A O no hydrogen 3.131 N/A ARG 474.A NH2 GLU 80.A OE1 no hydrogen 3.130 N/A ARG 474.A NH2 GLU 80.A OE2 no hydrogen 3.447 N/A PHE 476.A N MET 473.A O no hydrogen 2.805 N/A GLY 478.A N SER 243.A OG no hydrogen 3.001 N/A ASN 480.A N ASP 92.A O no hydrogen 2.986 N/A ASN 480.A ND2 ARG 91.A O no hydrogen 2.741 N/A ASN 480.A ND2 ASP 594.A OD2 no hydrogen 2.989 N/A LYS 483.A N ASN 480.A OD1 no hydrogen 3.187 N/A TYR 484.A N ASN 480.A O no hydrogen 2.985 N/A TYR 484.A OH GLU 254.A OE1 no hydrogen 2.520 N/A TYR 484.A OH GLU 254.A OE2 no hydrogen 3.240 N/A LEU 485.A N PHE 481.A O no hydrogen 2.917 N/A ALA 486.A N GLY 482.A O no hydrogen 3.024 N/A HIS 487.A N LYS 483.A O no hydrogen 2.817 N/A HIS 487.A NE2 TRP 251.A O no hydrogen 2.734 N/A TRP 488.A N TYR 484.A O no hydrogen 2.988 N/A TRP 488.A NE1 GLU 254.A OE2 no hydrogen 2.869 N/A LEU 489.A N LEU 485.A O no hydrogen 2.921 N/A SER 490.A N ALA 486.A O no hydrogen 2.899 N/A SER 490.A OG HIS 487.A O no hydrogen 2.657 N/A MET 491.A N TRP 488.A O no hydrogen 3.271 N/A ALA 492.A N LEU 489.A O no hydrogen 3.233 N/A HIS 493.A N SER 490.A O no hydrogen 2.970 N/A ARG 494.A N MET 491.A O no hydrogen 3.372 N/A ARG 494.A NH2 GLY 250.A O no hydrogen 2.978 N/A ALA 497.A N ARG 494.A O no hydrogen 3.351 N/A LYS 498.A N GLY 312.A O no hydrogen 2.739 N/A LYS 498.A NZ ASN 313.A OD1 no hydrogen 3.429 N/A LYS 501.A N GLU 420.A O no hydrogen 3.297 N/A LYS 501.A NZ GLU 437.A OE2 no hydrogen 2.774 N/A PHE 503.A N ILE 422.A O no hydrogen 2.985 N/A HIS 504.A N TYR 436.A O no hydrogen 2.823 N/A VAL 505.A N PHE 424.A O no hydrogen 2.811 N/A ASN 506.A N LEU 434.A O no hydrogen 2.911 N/A ASN 506.A ND2 GLY 426.A O no hydrogen 3.187 N/A ARG 509.A NH1 LEU 568.A O no hydrogen 3.025 N/A ARG 509.A NH1 GLY 570.A O no hydrogen 3.189 N/A ARG 509.A NH2 GLY 570.A O no hydrogen 3.346 N/A LYS 510.A N PRO 429.A O no hydrogen 2.920 N/A ASP 511.A N LYS 515.A O no hydrogen 2.889 N/A ASN 513.A N ASP 511.A OD2 no hydrogen 3.284 N/A GLY 514.A N ASP 511.A O no hydrogen 3.199 N/A LYS 515.A N ASP 511.A OD2 no hydrogen 2.966 N/A LEU 517.A N ARG 509.A O no hydrogen 2.794 N/A TRP 518.A NE1 ASN 524.A OD1 no hydrogen 2.765 N/A GLU 523.A N GLY 520.A O no hydrogen 2.955 N/A ASN 524.A N PHE 521.A O no hydrogen 2.944 N/A SER 525.A N GLY 522.A O no hydrogen 3.242 N/A SER 525.A OG GLY 522.A O no hydrogen 2.916 N/A ARG 526.A N GLU 523.A O no hydrogen 2.921 N/A ARG 526.A NE GLU 523.A OE1 no hydrogen 2.775 N/A ARG 526.A NH1 ASN 556.A O no hydrogen 2.891 N/A ARG 526.A NH1 LYS 558.A O no hydrogen 2.990 N/A ARG 526.A NH2 GLU 523.A OE1 no hydrogen 2.979 N/A ARG 526.A NH2 LYS 558.A O no hydrogen 3.171 N/A VAL 527.A N ASN 524.A O no hydrogen 2.995 N/A LEU 528.A N ASN 524.A O no hydrogen 3.048 N/A GLU 529.A N SER 525.A O no hydrogen 2.872 N/A TRP 530.A NE1 SER 540.A O no hydrogen 2.982 N/A MET 531.A N VAL 527.A O no hydrogen 3.110 N/A PHE 532.A N LEU 528.A O no hydrogen 2.885 N/A GLY 533.A N GLU 529.A O no hydrogen 3.133 N/A ARG 534.A N TRP 530.A O no hydrogen 3.009 N/A ARG 534.A NE GLU 437.A OE1 no hydrogen 2.633 N/A ARG 534.A NH1 GLU 538.A O no hydrogen 3.032 N/A ARG 534.A NH2 GLU 437.A OE1 no hydrogen 3.458 N/A ARG 534.A NH2 GLU 437.A OE2 no hydrogen 2.918 N/A ILE 535.A N MET 531.A O no hydrogen 2.931 N/A GLU 536.A N PHE 532.A O no hydrogen 3.099 N/A GLY 537.A N ARG 534.A O no hydrogen 3.039 N/A GLU 538.A N GLY 533.A O no hydrogen 2.870 N/A LYS 542.A N VAL 549.A O no hydrogen 2.795 N/A THR 544.A N GLY 547.A O no hydrogen 2.936 N/A THR 544.A OG1 GLY 547.A O no hydrogen 2.683 N/A ILE 546.A N THR 544.A OG1 no hydrogen 3.308 N/A GLY 547.A N THR 544.A O no hydrogen 3.153 N/A TYR 548.A N GLU 437.A O no hydrogen 2.912 N/A VAL 549.A N LYS 542.A O no hydrogen 2.913 N/A LYS 551.A N SER 540.A O no hydrogen 3.047 N/A LYS 551.A NZ ASP 539.A O.A no hydrogen 2.668 N/A LYS 551.A NZ ASP 539.A O.B no hydrogen 2.874 N/A LYS 551.A NZ ASP 539.A OD2.B no hydrogen 3.285 N/A ALA 554.A N LYS 551.A O no hydrogen 3.049 N/A LYS 558.A N ASN 556.A OD1 no hydrogen 2.998 N/A LEU 560.A N LEU 557.A O no hydrogen 3.076 N/A LEU 568.A N ASN 564.A O no hydrogen 3.081 N/A PHE 569.A N VAL 565.A O no hydrogen 2.717 N/A SER 572.A OG GLU 574.A OE1.A no hydrogen 3.239 N/A LYS 573.A NZ SER 611.A O no hydrogen 3.546 N/A LYS 573.A NZ MET 613.A O no hydrogen 2.710 N/A PHE 575.A N SER 572.A OG no hydrogen 3.310 N/A TRP 576.A N SER 572.A O no hydrogen 3.070 N/A TRP 576.A NE1 GLY 431.A O no hydrogen 3.248 N/A GLU 577.A N LYS 573.A O no hydrogen 2.857 N/A LYS 578.A N GLU 574.A O no hydrogen 3.361 N/A GLU 579.A N PHE 575.A O no hydrogen 2.910 N/A VAL 580.A N TRP 576.A O no hydrogen 2.955 N/A GLU 581.A N GLU 577.A O no hydrogen 3.224 N/A GLU 582.A N LYS 578.A O no hydrogen 3.076 N/A ILE 583.A N GLU 579.A O no hydrogen 2.906 N/A ASP 584.A N VAL 580.A O no hydrogen 2.832 N/A LYS 585.A N GLU 581.A O no hydrogen 2.970 N/A TYR 586.A N GLU 582.A O no hydrogen 3.020 N/A LEU 587.A N ILE 583.A O no hydrogen 2.923 N/A GLU 588.A N ASP 584.A O no hydrogen 2.948 N/A ASP 589.A N LYS 585.A O no hydrogen 2.999 N/A GLN 590.A N TYR 586.A O no hydrogen 2.781 N/A GLN 590.A NE2 GLN 101.A O no hydrogen 3.109 N/A GLN 590.A NE2 ASP 589.A OD1 no hydrogen 3.048 N/A VAL 591.A N LEU 587.A O no hydrogen 2.947 N/A ASN 592.A N LEU 587.A O no hydrogen 3.076 N/A ASN 592.A ND2.A ILE 96.A O no hydrogen 3.383 N/A ASN 592.A ND2.B ILE 96.A O no hydrogen 2.396 N/A ASN 592.A ND2.B ASP 589.A O no hydrogen 3.225 N/A ALA 593.A N ASN 592.A OD1.B no hydrogen 2.662 N/A ASP 594.A N VAL 591.A O no hydrogen 3.005 N/A LEU 595.A N ASN 592.A O no hydrogen 3.137 N/A ILE 599.A N PRO 596.A O no hydrogen 2.965 N/A GLU 600.A N PRO 596.A O no hydrogen 3.287 N/A ARG 601.A N TYR 597.A O no hydrogen 2.893 N/A GLU 602.A N GLU 598.A O no hydrogen 3.058 N/A LEU 603.A N ILE 599.A O no hydrogen 2.948 N/A ARG 604.A N GLU 600.A O no hydrogen 2.964 N/A ARG 604.A NE.A GLU 600.A OE2 no hydrogen 2.809 N/A ARG 604.A NH2.A GLU 600.A OE2 no hydrogen 3.513 N/A ALA 605.A N ARG 601.A O no hydrogen 2.868 N/A LEU 606.A N GLU 602.A O no hydrogen 2.864 N/A LYS 607.A N LEU 603.A O no hydrogen 2.982 N/A LYS 607.A NZ.B GLU 581.A OE2.A no hydrogen 2.948 N/A LYS 607.A NZ.B ASP 584.A OD2 no hydrogen 2.656 N/A GLN 608.A N ARG 604.A O no hydrogen 3.014 N/A ARG 609.A N ALA 605.A O no hydrogen 2.974 N/A ARG 609.A NE PRO 545.A O no hydrogen 2.805 N/A ARG 609.A NH2 PRO 545.A O no hydrogen 3.482 N/A ILE 610.A N LEU 606.A O no hydrogen 2.929 N/A SER 611.A N LYS 607.A O no hydrogen 2.954 N/A SER 611.A OG GLN 608.A O no hydrogen 2.710 N/A GLN 612.A N ARG 609.A O no hydrogen 3.327 N/A MET 613.A N ILE 610.A O no hydrogen 3.223 N/A