Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ahk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ILE 175.A O no hydrogen 3.199 N/A LYS 2.A NZ HIS 29.A ND1 no hydrogen 3.005 N/A ALA 3.A N ALA 173.A O no hydrogen 2.778 N/A SER 4.A N GLN 171.A O no hydrogen 3.070 N/A SER 4.A OG HIS 29.A O no hydrogen 3.316 N/A SER 4.A OG SER 33.A OG no hydrogen 2.721 N/A ALA 6.A N LYS 2.A O no hydrogen 3.019 N/A VAL 7.A N ALA 3.A O no hydrogen 2.866 N/A ALA 8.A N SER 4.A O no hydrogen 3.044 N/A LYS 9.A N ASP 5.A O no hydrogen 2.978 N/A LYS 9.A NZ ASP 13.A OD2 no hydrogen 2.778 N/A ILE 10.A N ALA 6.A O no hydrogen 2.927 N/A LEU 11.A N VAL 7.A O no hydrogen 2.978 N/A ALA 12.A N ALA 8.A O no hydrogen 3.228 N/A ASP 13.A N LYS 9.A O no hydrogen 3.033 N/A ASN 14.A N LEU 11.A O no hydrogen 3.181 N/A ASN 14.A ND2 ILE 10.A O no hydrogen 2.897 N/A VAL 16.A N LEU 11.A O no hydrogen 3.031 N/A LEU 17.A N LEU 67.A O no hydrogen 3.281 N/A GLY 19.A N LYS 41.A O no hydrogen 2.784 N/A PHE 20.A N LEU 69.A O no hydrogen 2.876 N/A GLU 21.A N VAL 43.A O no hydrogen 3.093 N/A MET 26.A N THR 73.A OG1 no hydrogen 3.418 N/A ILE 27.A N GLY 24.A O no hydrogen 3.083 N/A THR 28.A OG1 GLY 25.A O no hydrogen 2.919 N/A VAL 31.A N ILE 27.A O no hydrogen 2.870 N/A ASP 32.A N THR 28.A O no hydrogen 2.890 N/A SER 33.A N HIS 29.A O no hydrogen 3.046 N/A SER 33.A OG SER 4.A OG no hydrogen 2.721 N/A SER 33.A OG ASP 5.A OD1 no hydrogen 2.540 N/A SER 33.A OG HIS 29.A O no hydrogen 3.222 N/A ILE 34.A N LEU 30.A O no hydrogen 2.973 N/A ASN 35.A N VAL 31.A O no hydrogen 2.908 N/A LEU 36.A N ASP 32.A O no hydrogen 2.919 N/A LEU 37.A N SER 33.A O no hydrogen 3.200 N/A GLY 38.A N ILE 34.A O no hydrogen 2.989 N/A THR 40.A OG1 VAL 16.A O no hydrogen 2.743 N/A LYS 41.A N LEU 17.A O no hydrogen 2.994 N/A VAL 43.A N GLY 19.A O no hydrogen 2.883 N/A SER 44.A OG.A GLU 21.A OE2 no hydrogen 2.699 N/A MET 45.A N GLU 21.A O no hydrogen 2.820 N/A HIS 46.A N GLU 445.A OE1 no hydrogen 2.850 N/A HIS 46.A NE2 ASP 447.A OD2 no hydrogen 2.737 N/A GLU 48.A N GLU 48.A OE1 no hydrogen 2.807 N/A GLN 49.A N HIS 47.A ND1 no hydrogen 2.987 N/A ALA 51.A N HIS 47.A O no hydrogen 2.996 N/A ALA 52.A N GLU 48.A O no hydrogen 2.822 N/A PHE 53.A N GLN 49.A O no hydrogen 2.975 N/A ALA 54.A N GLY 50.A O no hydrogen 2.874 N/A ALA 55.A N ALA 51.A O no hydrogen 2.815 N/A SER 56.A N ALA 52.A O no hydrogen 3.006 N/A SER 56.A OG.A PHE 53.A O no hydrogen 2.725 N/A SER 56.A OG.B ALA 52.A O no hydrogen 2.843 N/A ALA 57.A N PHE 53.A O no hydrogen 3.193 N/A ALA 57.A N ALA 54.A O no hydrogen 3.105 N/A VAL 58.A N ALA 55.A O no hydrogen 3.176 N/A SER 59.A OG SER 56.A O no hydrogen 3.412 N/A SER 59.A OG PRO 94.A O no hydrogen 2.853 N/A ARG 60.A N SER 56.A O no hydrogen 3.464 N/A ARG 60.A NH1 HIS 405.A O no hydrogen 2.768 N/A ARG 60.A NH2 ASP 87.A OD2 no hydrogen 2.821 N/A ARG 60.A NH2 ASP 91.A OD2 no hydrogen 3.356 N/A ARG 60.A NH2 HIS 405.A O no hydrogen 3.016 N/A VAL 61.A N ALA 57.A O no hydrogen 2.825 N/A THR 62.A N VAL 58.A O no hydrogen 3.132 N/A THR 62.A OG1 VAL 58.A O no hydrogen 2.889 N/A THR 62.A OG1 THR 66.A O no hydrogen 3.132 N/A HIS 63.A N ARG 60.A O no hydrogen 3.244 N/A HIS 64.A N SER 59.A O no hydrogen 2.730 N/A HIS 64.A NE2 HIS 93.A ND1 no hydrogen 2.975 N/A LYS 65.A N THR 62.A O no hydrogen 3.041 N/A THR 66.A N THR 62.A OG1 no hydrogen 2.984 N/A LEU 67.A N ASN 15.A O no hydrogen 2.882 N/A LEU 69.A N TYR 18.A O no hydrogen 3.021 N/A ALA 70.A N ILE 96.A O no hydrogen 2.931 N/A LEU 71.A N PHE 20.A O no hydrogen 3.088 N/A ALA 72.A N LEU 98.A O no hydrogen 3.065 N/A SER 74.A OG.A GLN 101.A OE1 no hydrogen 3.114 N/A SER 74.A OG.A GLN 119.A O no hydrogen 2.881 N/A SER 74.A OG.A LEU 121.A O no hydrogen 3.459 N/A SER 74.A OG.B GLN 119.A O no hydrogen 2.832 N/A THR 79.A N GLY 75.A O no hydrogen 3.016 N/A THR 79.A OG1 GLY 75.A O no hydrogen 3.413 N/A THR 79.A OG1 PRO 76.A O no hydrogen 3.194 N/A ASN 80.A N PRO 76.A O no hydrogen 2.982 N/A ASN 80.A ND2 GLU 48.A OE1 no hydrogen 2.957 N/A LEU 81.A N ALA 78.A O no hydrogen 3.090 N/A ILE 82.A N THR 79.A O no hydrogen 3.352 N/A ILE 85.A N LEU 81.A O no hydrogen 3.158 N/A ALA 86.A N ILE 82.A O no hydrogen 2.944 N/A ASP 87.A N THR 83.A O no hydrogen 3.041 N/A CYS 88.A N GLY 84.A O no hydrogen 3.071 N/A CYS 88.A SG SER 56.A OG.B no hydrogen 2.870 N/A CYS 88.A SG GLY 84.A O no hydrogen 3.524 N/A TRP 89.A N ILE 85.A O no hydrogen 2.914 N/A LEU 90.A N ALA 86.A O no hydrogen 2.886 N/A ASP 91.A N ASP 87.A O no hydrogen 2.927 N/A SER 92.A N TRP 89.A O no hydrogen 3.338 N/A HIS 93.A N CYS 88.A O no hydrogen 3.076 N/A HIS 93.A ND1 HIS 64.A NE2 no hydrogen 2.975 N/A CYS 95.A SG GLY 68.A O no hydrogen 3.654 N/A ILE 96.A N GLY 68.A O no hydrogen 2.925 N/A PHE 97.A N VAL 162.A O no hydrogen 2.936 N/A LEU 98.A N ALA 70.A O no hydrogen 2.930 N/A THR 99.A N LEU 164.A O no hydrogen 2.990 N/A THR 99.A OG1 SER 123.A OG.A no hydrogen 3.038 N/A THR 99.A OG1 ASP 165.A OD1 no hydrogen 2.765 N/A GLY 100.A N ALA 72.A O no hydrogen 2.928 N/A GLN 101.A N ILE 166.A O no hydrogen 2.915 N/A GLN 101.A NE2 LEU 121.A O no hydrogen 2.982 N/A GLN 101.A NE2 ASP 165.A OD2 no hydrogen 2.921 N/A VAL 102.A N GLN 101.A OE1 no hydrogen 2.909 N/A ASN 103.A ND2 GLU 106.A OE2 no hydrogen 3.081 N/A THR 104.A N ASP 169.A OD1 no hydrogen 2.790 N/A THR 104.A OG1 ASP 169.A OD2 no hydrogen 2.627 N/A GLU 106.A N ASN 103.A O no hydrogen 2.795 N/A LEU 107.A N THR 104.A O no hydrogen 3.392 N/A LYS 108.A N GLU 120.A OE2 no hydrogen 2.773 N/A LYS 108.A NZ ILE 113.A O no hydrogen 3.017 N/A ARG 111.A N LYS 108.A O no hydrogen 3.083 N/A ILE 113.A N ARG 111.A O no hydrogen 2.847 N/A GLN 115.A NE2 GLY 117.A O no hydrogen 3.038 N/A GLN 116.A N GLU 120.A OE1 no hydrogen 2.802 N/A GLY 117.A N GLU 120.A OE1 no hydrogen 2.980 N/A GLU 120.A N GLY 117.A O no hydrogen 3.163 N/A LEU 121.A N SER 74.A OG.A no hydrogen 3.103 N/A SER 123.A OG.A THR 99.A OG1 no hydrogen 3.038 N/A ALA 125.A N ASP 122.A OD1.B no hydrogen 3.152 N/A ALA 125.A N ASP 122.A OD2.A no hydrogen 2.748 N/A VAL 127.A N SER 123.A O no hydrogen 3.129 N/A VAL 127.A N VAL 124.A O no hydrogen 3.120 N/A ILE 130.A N VAL 127.A O no hydrogen 3.013 N/A THR 131.A OG1 VAL 127.A O no hydrogen 2.864 N/A LYS 132.A N PRO 161.A O no hydrogen 2.929 N/A LYS 132.A NZ ILE 153.A O no hydrogen 2.769 N/A LYS 132.A NZ ARG 158.A O no hydrogen 2.847 N/A TYR 135.A N LEU 163.A O no hydrogen 3.159 N/A TYR 135.A OH GLU 142.A OE1 no hydrogen 3.058 N/A TYR 135.A OH GLU 142.A OE2 no hydrogen 3.088 N/A GLN 136.A NE2 ASP 165.A OD2 no hydrogen 2.883 N/A ILE 137.A N ASP 165.A O no hydrogen 2.960 N/A LYS 138.A N GLU 142.A OE1 no hydrogen 2.902 N/A LYS 138.A NZ GLN 136.A O no hydrogen 2.634 N/A SER 139.A N GLU 142.A OE1 no hydrogen 3.398 N/A SER 139.A OG.A ASP 141.A OD1.B no hydrogen 2.415 N/A GLU 142.A N SER 139.A O no hydrogen 2.880 N/A LEU 143.A N ALA 140.A O no hydrogen 3.232 N/A CYS 146.A N GLU 142.A O no hydrogen 2.863 N/A CYS 146.A SG TYR 133.A OH no hydrogen 3.567 N/A LEU 147.A N LEU 143.A O no hydrogen 2.925 N/A ARG 148.A N VAL 144.A O no hydrogen 3.030 N/A ARG 148.A NH1 LEU 180.A O no hydrogen 3.072 N/A ARG 148.A NH2 LEU 180.A O no hydrogen 2.718 N/A LYS 149.A N PRO 145.A O no hydrogen 2.922 N/A ALA 150.A N CYS 146.A O no hydrogen 2.871 N/A ILE 151.A N LEU 147.A O no hydrogen 2.993 N/A GLN 152.A N ARG 148.A O no hydrogen 3.059 N/A ILE 153.A N LYS 149.A O no hydrogen 2.894 N/A ALA 154.A N ALA 150.A O no hydrogen 2.949 N/A LYS 155.A N ILE 151.A O no hydrogen 3.230 N/A LYS 155.A NZ ASN 14.A O no hydrogen 2.844 N/A GLU 156.A N GLN 152.A O no hydrogen 3.053 N/A ARG 158.A NE SER 92.A OG no hydrogen 2.777 N/A ARG 158.A NH1 GLN 300.A OE1 no hydrogen 3.139 N/A ARG 158.A NH1 GLN 303.A OE1 no hydrogen 2.812 N/A GLY 160.A N ALA 154.A O no hydrogen 3.030 N/A VAL 162.A N CYS 95.A O no hydrogen 3.211 N/A LEU 163.A N TYR 133.A O no hydrogen 2.868 N/A LEU 164.A N PHE 97.A O no hydrogen 3.035 N/A ASP 165.A N TYR 135.A O no hydrogen 2.912 N/A ILE 166.A N THR 99.A O no hydrogen 2.857 N/A MET 168.A N GLN 101.A O no hydrogen 2.818 N/A GLN 171.A N PRO 167.A O no hydrogen 3.151 N/A GLN 171.A NE2 MET 26.A O no hydrogen 2.830 N/A GLN 171.A NE2 ILE 166.A O no hydrogen 2.900 N/A ARG 172.A N MET 168.A O no hydrogen 3.221 N/A ARG 172.A N ASP 169.A O no hydrogen 3.307 N/A ARG 172.A NE HIS 29.A NE2 no hydrogen 2.959 N/A ALA 173.A N ILE 170.A O no hydrogen 3.162 N/A ILE 175.A N MET 1.A O no hydrogen 2.792 N/A ALA 178.A N ASP 176.A OD1 no hydrogen 3.141 N/A LEU 180.A N ASP 176.A O no hydrogen 3.123 N/A ASN 181.A N GLU 177.A O no hydrogen 3.020 N/A ASN 182.A N ALA 178.A O no hydrogen 2.710 N/A LEU 190.A N ALA 186.A O no hydrogen 3.102 N/A ASP 191.A N MET 187.A O no hydrogen 2.921 N/A PHE 192.A N SER 188.A O no hydrogen 2.921 N/A ILE 193.A N ASP 189.A O no hydrogen 3.028 N/A ILE 194.A N LEU 190.A O no hydrogen 3.022 N/A ASN 195.A N ASP 191.A O no hydrogen 2.906 N/A LYS 196.A N PHE 192.A O no hydrogen 2.959 N/A LYS 196.A NZ GLU 293.A OE1 no hydrogen 2.904 N/A LYS 196.A NZ GLU 293.A OE2 no hydrogen 3.066 N/A LEU 197.A N ILE 193.A O no hydrogen 2.940 N/A GLN 198.A N ILE 194.A O no hydrogen 2.837 N/A ASN 199.A N ASN 195.A O no hydrogen 3.151 N/A ASN 199.A ND2 ASN 195.A O no hydrogen 2.928 N/A ALA 200.A N LEU 197.A O no hydrogen 3.256 N/A LYS 201.A N ASP 267.A OD2 no hydrogen 2.779 N/A LYS 202.A N ASP 267.A OD1 no hydrogen 2.781 N/A LEU 204.A N LEU 268.A O no hydrogen 2.883 N/A LEU 205.A N PRO 230.A O no hydrogen 3.109 N/A LEU 206.A N LEU 270.A O no hydrogen 2.889 N/A ILE 207.A N VAL 232.A O no hydrogen 2.885 N/A GLY 208.A N LEU 272.A O no hydrogen 2.892 N/A GLY 210.A N GLY 273.A O no hydrogen 2.899 N/A ALA 211.A N GLY 208.A O no hydrogen 3.054 N/A SER 214.A N ALA 211.A O no hydrogen 3.171 N/A SER 214.A OG GLY 210.A O no hydrogen 2.810 N/A PHE 217.A N SER 214.A O no hydrogen 3.237 N/A GLN 218.A NE2 LYS 240.A O no hydrogen 2.870 N/A TRP 220.A N GLY 216.A O no hydrogen 3.044 N/A TRP 220.A NE1 PHE 325.A O no hydrogen 2.832 N/A LEU 221.A N PHE 217.A O no hydrogen 2.825 N/A GLU 222.A N GLN 218.A O no hydrogen 2.977 N/A GLN 223.A N LYS 219.A O no hydrogen 3.390 N/A GLN 223.A N TRP 220.A O no hydrogen 3.064 N/A ILE 224.A N TRP 220.A O no hydrogen 3.097 N/A GLU 225.A N LEU 221.A O no hydrogen 2.949 N/A LEU 226.A N GLU 222.A O no hydrogen 2.959 N/A ARG 227.A N GLN 223.A O no hydrogen 3.088 N/A GLY 228.A N GLU 225.A O no hydrogen 2.845 N/A ILE 229.A N ILE 224.A O no hydrogen 3.260 N/A TYR 231.A N LEU 246.A O no hydrogen 2.919 N/A TYR 231.A OH GLU 225.A OE2 no hydrogen 2.606 N/A VAL 232.A N LEU 205.A O no hydrogen 2.917 N/A ALA 233.A N GLY 249.A O no hydrogen 3.130 N/A SER 234.A N ILE 207.A O no hydrogen 3.147 N/A LYS 236.A NZ ASP 91.A OD2 no hydrogen 2.890 N/A LYS 236.A NZ HIS 93.A NE2 no hydrogen 3.012 N/A LYS 236.A NZ GLU 239.A OE1 no hydrogen 3.335 N/A LYS 236.A NZ GLU 239.A OE2 no hydrogen 2.819 N/A LYS 236.A NZ HIS 405.A O no hydrogen 3.037 N/A GLY 237.A N SER 234.A OG no hydrogen 3.046 N/A ALA 238.A N SER 234.A O no hydrogen 2.740 N/A LYS 240.A N GLY 237.A O no hydrogen 3.219 N/A LYS 240.A NZ ARG 60.A O no hydrogen 3.090 N/A LYS 240.A NZ HIS 63.A ND1.B no hydrogen 3.023 N/A LYS 240.A NZ ASN 213.A OD1 no hydrogen 2.724 N/A ALA 243.A N LEU 397.A O no hydrogen 2.834 N/A SER 244.A OG.A GLU 225.A OE2 no hydrogen 2.672 N/A SER 244.A OG.B GLU 225.A OE2 no hydrogen 2.952 N/A SER 244.A OG.B TYR 231.A OH no hydrogen 3.099 N/A LEU 246.A N SER 244.A OG.A no hydrogen 3.118 N/A TYR 247.A N SER 244.A O no hydrogen 3.048 N/A LEU 248.A N TYR 231.A O no hydrogen 2.922 N/A LEU 251.A N ALA 233.A O no hydrogen 2.957 N/A GLY 252.A N ASN 260.A OD1 no hydrogen 2.817 N/A ALA 253.A N ARG 279.A O no hydrogen 2.890 N/A GLY 255.A N GLY 252.A O no hydrogen 2.937 N/A THR 256.A N MET 250.A O no hydrogen 2.834 N/A THR 256.A OG1 LEU 248.A O no hydrogen 2.709 N/A ARG 257.A NE GLU 354.A OE2 no hydrogen 2.839 N/A ARG 257.A NH1 GLN 552.A O no hydrogen 3.380 N/A ARG 257.A NH1 PRO 554.A O no hydrogen 3.220 N/A ARG 257.A NH2 GLU 354.A OE1 no hydrogen 2.863 N/A ARG 257.A NH2 GLU 354.A OE2 no hydrogen 3.561 N/A ARG 257.A NH2 PRO 554.A O no hydrogen 2.899 N/A ALA 259.A N THR 256.A OG1 no hydrogen 2.984 N/A ASN 260.A N THR 256.A O no hydrogen 3.082 N/A ASN 260.A ND2 GLY 252.A O no hydrogen 2.918 N/A HIS 261.A N ARG 257.A O no hydrogen 2.886 N/A ALA 262.A N ALA 258.A O no hydrogen 2.887 N/A VAL 263.A N ALA 259.A O no hydrogen 3.017 N/A GLN 264.A N ASN 260.A O no hydrogen 3.050 N/A GLN 264.A NE2 ASP 287.A O no hydrogen 2.888 N/A ASN 265.A N ALA 262.A O no hydrogen 3.204 N/A ASN 265.A ND2 HIS 261.A O no hydrogen 2.851 N/A CYS 266.A N ALA 262.A O no hydrogen 2.936 N/A CYS 266.A SG VAL 263.A O no hydrogen 3.499 N/A CYS 266.A SG LEU 268.A O no hydrogen 3.774 N/A ASP 267.A N LYS 202.A O no hydrogen 2.944 N/A LEU 269.A N GLU 293.A O no hydrogen 2.945 N/A LEU 270.A N LEU 204.A O no hydrogen 2.950 N/A VAL 271.A N ILE 295.A O no hydrogen 2.786 N/A LEU 272.A N LEU 206.A O no hydrogen 2.901 N/A GLY 273.A N ILE 297.A O no hydrogen 3.030 N/A SER 274.A OG GLN 280.A OE1 no hydrogen 2.557 N/A MET 276.A N SER 274.A OG no hydrogen 3.125 N/A ARG 279.A N ASP 277.A OD2 no hydrogen 2.941 N/A GLN 280.A N ASP 277.A O no hydrogen 2.931 N/A GLN 280.A NE2 ASP 277.A OD1 no hydrogen 2.969 N/A THR 281.A N ASP 277.A O no hydrogen 3.114 N/A THR 281.A OG1 ASP 277.A O no hydrogen 3.418 N/A THR 281.A OG1 GLY 282.A O no hydrogen 2.855 N/A GLY 282.A N VAL 278.A O no hydrogen 2.772 N/A ASP 287.A N GLN 284.A O no hydrogen 2.917 N/A PHE 288.A N PRO 285.A O no hydrogen 3.034 N/A ALA 289.A N GLN 264.A OE1 no hydrogen 2.780 N/A ARG 290.A NE ASP 287.A OD1 no hydrogen 2.839 N/A ARG 290.A NH1 ASP 550.A OD2 no hydrogen 2.903 N/A ARG 290.A NH2 ASP 287.A OD2 no hydrogen 2.808 N/A ARG 290.A NH2 ASP 550.A OD1 no hydrogen 2.961 N/A ASN 291.A ND2 GLN 264.A O no hydrogen 2.808 N/A ALA 292.A N ALA 289.A O no hydrogen 2.922 N/A GLU 293.A N ASP 267.A O no hydrogen 3.108 N/A ILE 294.A N ASP 311.A OD1 no hydrogen 2.779 N/A ILE 295.A N LEU 269.A O no hydrogen 2.887 N/A GLN 296.A N PHE 312.A O no hydrogen 2.943 N/A GLN 296.A NE2 SER 274.A O no hydrogen 3.088 N/A GLN 296.A NE2 GLN 303.A O no hydrogen 3.102 N/A ILE 297.A N VAL 271.A O no hydrogen 2.852 N/A ASP 298.A N TYR 314.A O no hydrogen 3.152 N/A GLN 300.A N ASP 298.A OD1 no hydrogen 2.855 N/A GLN 303.A N GLN 300.A O no hydrogen 2.940 N/A LEU 304.A N GLU 301.A O no hydrogen 3.011 N/A ARG 307.A NH1 MET 276.A O no hydrogen 2.813 N/A ARG 307.A NH1 THR 281.A OG1 no hydrogen 2.816 N/A ARG 307.A NH2 THR 281.A OG1 no hydrogen 3.341 N/A ARG 307.A NH2 GLY 282.A O no hydrogen 3.363 N/A PHE 312.A N ILE 294.A O no hydrogen 3.141 N/A TYR 314.A N GLN 296.A O no hydrogen 2.969 N/A GLN 315.A NE2 LEU 299.A O no hydrogen 3.005 N/A ILE 316.A N ASP 298.A O no hydrogen 3.165 N/A SER 319.A N GLU 317.A OE2 no hydrogen 2.995 N/A SER 319.A OG GLU 317.A OE1 no hydrogen 2.524 N/A SER 319.A OG GLU 317.A OE2 no hydrogen 3.465 N/A GLU 320.A N GLU 317.A OE1 no hydrogen 3.105 N/A TYR 321.A N GLU 317.A O no hydrogen 3.024 N/A PHE 322.A N LEU 318.A O no hydrogen 2.836 N/A SER 323.A N SER 319.A O no hydrogen 3.275 N/A SER 323.A OG.A SER 319.A O no hydrogen 3.483 N/A SER 323.A OG.A GLU 320.A O no hydrogen 2.945 N/A ARG 324.A N GLU 320.A O no hydrogen 2.866 N/A PHE 325.A N TYR 321.A O no hydrogen 2.876 N/A SER 326.A OG GLN 223.A OE1 no hydrogen 2.663 N/A LEU 328.A N SER 326.A OG no hydrogen 3.356 N/A GLN 329.A N SER 326.A O no hydrogen 3.040 N/A ILE 330.A N PRO 327.A O no hydrogen 2.972 N/A ASN 333.A ND2 GLN 198.A O no hydrogen 3.221 N/A ASP 335.A N ASN 333.A OD1 no hydrogen 3.096 N/A TRP 336.A N ASN 333.A O no hydrogen 3.182 N/A TRP 336.A NE1 ALA 200.A O no hydrogen 2.804 N/A TRP 339.A N ASP 335.A O no hydrogen 3.419 N/A TRP 339.A NE1 PRO 203.A O no hydrogen 2.876 N/A THR 340.A N TRP 336.A O no hydrogen 2.902 N/A THR 340.A OG1 TRP 336.A O no hydrogen 3.250 N/A THR 340.A OG1 SER 337.A O no hydrogen 3.249 N/A ALA 341.A N SER 337.A O no hydrogen 2.825 N/A LEU 342.A N VAL 338.A O no hydrogen 2.941 N/A LEU 343.A N TRP 339.A O no hydrogen 2.982 N/A LYS 344.A N THR 340.A O no hydrogen 2.925 N/A LYS 344.A NZ ASP 245.A OD2 no hydrogen 2.835 N/A GLU 345.A N ALA 341.A O no hydrogen 2.998 N/A LYS 346.A N LEU 342.A O no hydrogen 2.971 N/A PHE 347.A N LEU 343.A O no hydrogen 2.905 N/A ARG 348.A N LYS 344.A O no hydrogen 2.866 N/A ARG 348.A NE GLU 345.A OE1 no hydrogen 3.032 N/A ARG 348.A NH2 GLU 345.A OE2 no hydrogen 2.891 N/A VAL 349.A N GLU 345.A O no hydrogen 3.042 N/A THR 350.A N LYS 346.A O no hydrogen 2.982 N/A THR 350.A OG1 LYS 346.A O no hydrogen 2.710 N/A PHE 351.A N PHE 347.A O no hydrogen 2.827 N/A TYR 355.A N ASP 353.A OD1 no hydrogen 2.949 N/A TRP 358.A N TYR 355.A O no hydrogen 3.097 N/A ASN 359.A N ASP 535.A OD2 no hydrogen 2.923 N/A SER 361.A OG ASP 353.A OD1 no hydrogen 2.687 N/A SER 361.A OG ASP 353.A OD2 no hydrogen 3.417 N/A GLY 364.A N SER 361.A OG no hydrogen 3.129 N/A LEU 365.A N SER 361.A O no hydrogen 2.998 N/A PHE 366.A N PRO 362.A O no hydrogen 2.986 N/A THR 367.A N PHE 363.A O no hydrogen 2.882 N/A THR 367.A OG1 PHE 363.A O no hydrogen 2.888 N/A THR 367.A OG1 GLY 364.A O no hydrogen 3.100 N/A GLN 368.A N GLY 364.A O no hydrogen 2.991 N/A LEU 369.A N LEU 365.A O no hydrogen 2.984 N/A ASN 370.A N PHE 366.A O no hydrogen 2.961 N/A ASN 370.A ND2 THR 394.A O no hydrogen 2.999 N/A LYS 371.A N THR 367.A O no hydrogen 3.016 N/A LYS 371.A NZ GLN 368.A OE1 no hydrogen 3.356 N/A LEU 372.A N GLN 368.A O no hydrogen 2.865 N/A THR 373.A N LEU 369.A O no hydrogen 3.058 N/A THR 373.A OG1 LEU 369.A O no hydrogen 2.758 N/A THR 373.A OG1 TYR 380.A OH no hydrogen 3.269 N/A GLU 374.A N LYS 371.A O no hydrogen 3.312 N/A VAL 376.A N THR 373.A O no hydrogen 2.968 N/A ASP 379.A N PRO 429.A O no hydrogen 3.247 N/A TYR 380.A N ALA 402.A O no hydrogen 2.901 N/A TYR 380.A OH THR 373.A OG1 no hydrogen 3.269 N/A ILE 381.A N ILE 431.A O no hydrogen 2.855 N/A LEU 382.A N HIS 404.A O no hydrogen 2.999 N/A ASP 383.A N ILE 433.A O no hydrogen 3.058 N/A GLN 388.A N GLY 385.A O no hydrogen 3.090 N/A GLN 388.A NE2 HIS 405.A ND1 no hydrogen 3.092 N/A GLN 388.A NE2 SER 406.A O no hydrogen 3.625 N/A MET 389.A N GLY 385.A O no hydrogen 3.347 N/A TRP 390.A N ASN 386.A O no hydrogen 2.859 N/A TRP 390.A NE1 GLU 538.A O no hydrogen 2.973 N/A ALA 391.A N ASN 387.A O no hydrogen 3.251 N/A ALA 392.A N GLN 388.A O no hydrogen 2.906 N/A HIS 393.A N MET 389.A O no hydrogen 3.021 N/A HIS 393.A ND1 THR 394.A OG1 no hydrogen 2.848 N/A THR 394.A N TRP 390.A O no hydrogen 3.211 N/A THR 394.A OG1 TRP 390.A O no hydrogen 3.529 N/A THR 394.A OG1 HIS 393.A ND1 no hydrogen 2.848 N/A LEU 395.A N ALA 391.A O no hydrogen 2.886 N/A ARG 396.A N ASN 370.A OD1 no hydrogen 2.927 N/A ARG 396.A NH1.B TYR 247.A O no hydrogen 3.120 N/A ARG 396.A NH2.B SER 244.A O no hydrogen 3.080 N/A ARG 396.A NH2.B TYR 247.A O no hydrogen 3.137 N/A ASN 398.A N GLN 401.A OE1 no hydrogen 2.882 N/A ASN 398.A ND2 ASN 370.A O no hydrogen 3.046 N/A ASN 398.A ND2 GLN 401.A OE1 no hydrogen 3.210 N/A GLN 401.A N ASN 398.A O no hydrogen 3.213 N/A GLN 401.A NE2 THR 373.A OG1 no hydrogen 2.917 N/A GLN 401.A NE2 VAL 376.A O no hydrogen 3.132 N/A ALA 402.A N ASP 379.A OD1 no hydrogen 3.037 N/A MET 403.A N GLU 239.A O no hydrogen 2.961 N/A HIS 404.A N TYR 380.A O no hydrogen 2.917 N/A HIS 404.A NE2 ASP 379.A OD2 no hydrogen 2.785 N/A HIS 405.A N GLU 239.A OE2 no hydrogen 2.766 N/A SER 406.A OG ASP 87.A OD1 no hydrogen 2.771 N/A GLY 407.A N ASP 91.A OD2 no hydrogen 2.814 N/A GLY 408.A N ASP 91.A OD1 no hydrogen 2.783 N/A SER 411.A N SER 406.A OG no hydrogen 2.943 N/A SER 411.A OG.B MET 412.A O no hydrogen 2.978 N/A GLY 413.A N ASP 383.A OD1 no hydrogen 2.967 N/A GLY 413.A N ASP 383.A OD2 no hydrogen 3.129 N/A ALA 415.A N ASP 383.A OD1 no hydrogen 3.107 N/A ALA 418.A N PHE 414.A O no hydrogen 2.977 N/A ALA 419.A N ALA 415.A O no hydrogen 2.938 N/A ILE 420.A N PRO 417.A O no hydrogen 3.052 N/A GLY 421.A N PRO 417.A O no hydrogen 3.465 N/A ALA 422.A N ALA 418.A O no hydrogen 2.888 N/A CYS 423.A N ALA 419.A O no hydrogen 2.867 N/A CYS 423.A SG LYS 428.A O no hydrogen 3.710 N/A TYR 424.A N ILE 420.A O no hydrogen 3.059 N/A TYR 424.A OH ASP 452.A OD2 no hydrogen 2.581 N/A ALA 425.A N GLY 421.A O no hydrogen 2.898 N/A GLY 426.A N ALA 422.A O no hydrogen 2.739 N/A LYS 427.A N CYS 423.A O no hydrogen 2.992 N/A LYS 428.A NZ ASP 379.A OD1 no hydrogen 2.682 N/A LYS 428.A NZ GLN 400.A O no hydrogen 2.892 N/A ILE 430.A N PRO 455.A O no hydrogen 3.142 N/A ILE 431.A N ASP 379.A O no hydrogen 2.811 N/A VAL 432.A N LEU 457.A O no hydrogen 2.760 N/A ILE 433.A N ILE 381.A O no hydrogen 2.957 N/A THR 434.A N ILE 459.A O no hydrogen 2.916 N/A THR 434.A OG1 GLY 435.A O no hydrogen 3.260 N/A ALA 439.A N GLY 435.A O no hydrogen 2.948 N/A GLN 440.A N GLY 437.A O no hydrogen 3.186 N/A GLN 440.A NE2 SER 491.A OG no hydrogen 2.690 N/A LEU 441.A N GLY 438.A O no hydrogen 3.325 N/A ASN 442.A ND2 GLN 49.A OE1 no hydrogen 2.877 N/A ASN 442.A ND2 GLY 413.A O no hydrogen 2.892 N/A ILE 443.A N GLN 440.A O no hydrogen 3.283 N/A GLN 444.A NE2 ASN 442.A OD1 no hydrogen 3.048 N/A GLN 444.A NE2 GLU 445.A OE2 no hydrogen 2.907 N/A GLU 445.A N ASN 442.A O no hydrogen 3.056 N/A LEU 446.A N ILE 443.A O no hydrogen 2.985 N/A ASP 447.A N GLN 444.A O no hydrogen 3.205 N/A ILE 448.A N GLU 445.A O no hydrogen 3.022 N/A ILE 449.A N GLU 445.A O no hydrogen 3.408 N/A ALA 450.A N LEU 446.A O no hydrogen 3.041 N/A ARG 451.A N ASP 447.A O no hydrogen 2.817 N/A ARG 451.A NE ASP 452.A OD1 no hydrogen 2.819 N/A ARG 451.A NH1 SER 44.A O no hydrogen 3.155 N/A ARG 451.A NH2 SER 44.A O no hydrogen 2.915 N/A ARG 451.A NH2 ASP 452.A OD1 no hydrogen 3.449 N/A ARG 451.A NH2 ASP 452.A OD2 no hydrogen 2.971 N/A ASP 452.A N ILE 448.A O no hydrogen 2.947 N/A LYS 453.A N ALA 450.A O no hydrogen 3.092 N/A LEU 454.A N ILE 449.A O no hydrogen 3.035 N/A ILE 456.A N LEU 454.A O no hydrogen 2.768 N/A LEU 457.A N ILE 430.A O no hydrogen 2.942 N/A THR 458.A N LEU 527.A O no hydrogen 2.824 N/A ILE 459.A N VAL 432.A O no hydrogen 2.786 N/A VAL 460.A N LEU 529.A O no hydrogen 2.783 N/A MET 461.A N THR 434.A O no hydrogen 2.851 N/A ASN 462.A N VAL 531.A O no hydrogen 2.919 N/A ASN 462.A ND2 GLU 530.A OE2 no hydrogen 2.916 N/A ASN 463.A ND2 ALA 536.A O no hydrogen 2.957 N/A HIS 464.A N ASN 462.A OD1 no hydrogen 2.938 N/A HIS 464.A ND1 GLY 488.A O no hydrogen 2.968 N/A SER 465.A OG.A THR 484.A O no hydrogen 2.896 N/A SER 465.A OG.B ASN 463.A O no hydrogen 3.077 N/A SER 465.A OG.B ASN 463.A OD1 no hydrogen 3.136 N/A LEU 466.A N THR 484.A O no hydrogen 2.947 N/A ARG 470.A N LEU 466.A O no hydrogen 2.847 N/A GLY 471.A N GLY 467.A O no hydrogen 3.066 N/A GLN 473.A N VAL 469.A O no hydrogen 2.893 N/A GLN 473.A NE2 SER 483.A OG no hydrogen 3.083 N/A GLU 474.A N ARG 470.A O no hydrogen 2.948 N/A MET 475.A N GLY 471.A O no hydrogen 3.073 N/A TYR 476.A N PHE 472.A O no hydrogen 2.973 N/A PHE 477.A N GLN 473.A O no hydrogen 2.895 N/A ARG 480.A N PHE 477.A O no hydrogen 3.330 N/A ARG 480.A NH2.B GLU 478.A OE2 no hydrogen 3.177 N/A THR 484.A N ASN 481.A O no hydrogen 3.102 N/A THR 484.A OG1 GLN 473.A OE1 no hydrogen 2.613 N/A THR 484.A OG1 ASN 481.A O no hydrogen 3.377 N/A TYR 489.A N TRP 486.A O no hydrogen 3.072 N/A THR 490.A OG1 GLY 488.A O no hydrogen 3.226 N/A PHE 493.A N GLU 530.A OE2 no hydrogen 3.409 N/A LYS 494.A N GLU 530.A OE1 no hydrogen 2.971 N/A LYS 494.A NZ GLU 498.A OE1 no hydrogen 2.789 N/A LYS 494.A NZ GLU 498.A OE2 no hydrogen 2.900 N/A ILE 496.A N GLN 492.A O no hydrogen 2.861 N/A GLY 497.A N PHE 493.A O no hydrogen 2.828 N/A GLU 498.A N LYS 494.A O no hydrogen 3.050 N/A ALA 499.A N LYS 495.A O no hydrogen 2.902 N/A TYR 500.A N ILE 496.A O no hydrogen 3.087 N/A ARG 501.A N GLU 498.A O no hydrogen 2.842 N/A VAL 502.A N GLY 497.A O no hydrogen 2.911 N/A SER 504.A OG LYS 494.A O no hydrogen 3.480 N/A SER 504.A OG VAL 502.A O no hydrogen 2.838 N/A LYS 505.A N LEU 528.A O no hydrogen 2.910 N/A ILE 507.A N GLU 530.A O no hydrogen 2.838 N/A ALA 512.A N SER 509.A OG no hydrogen 3.115 N/A PHE 513.A N SER 509.A O no hydrogen 3.071 N/A SER 514.A N MET 510.A O no hydrogen 2.868 N/A SER 514.A OG GLN 511.A O no hydrogen 3.045 N/A SER 515.A N GLN 511.A O no hydrogen 2.911 N/A ALA 516.A N ALA 512.A O no hydrogen 3.000 N/A LEU 517.A N PHE 513.A O no hydrogen 2.933 N/A GLU 518.A N SER 514.A O no hydrogen 2.938 N/A SER 519.A N SER 515.A O no hydrogen 2.993 N/A SER 519.A OG.A SER 515.A O no hydrogen 2.906 N/A PHE 520.A N ALA 516.A O no hydrogen 2.964 N/A LEU 521.A N LEU 517.A O no hydrogen 2.865 N/A GLU 522.A N GLU 518.A O no hydrogen 2.927 N/A SER 523.A N SER 519.A O no hydrogen 3.020 N/A ARG 525.A NE GLU 503.A OE1 no hydrogen 2.816 N/A ARG 525.A NH1 SER 519.A O no hydrogen 3.089 N/A ARG 525.A NH1 SER 519.A OG.B no hydrogen 3.268 N/A ARG 525.A NH1 SER 523.A O no hydrogen 2.931 N/A ARG 525.A NH2 GLU 503.A OE2 no hydrogen 3.051 N/A ARG 525.A NH2 SER 519.A OG.B no hydrogen 2.841 N/A LEU 527.A N ILE 456.A O no hydrogen 3.179 N/A LEU 528.A N GLU 503.A O no hydrogen 2.825 N/A LEU 529.A N THR 458.A O no hydrogen 2.800 N/A GLU 530.A N LYS 505.A O no hydrogen 2.907 N/A VAL 531.A N VAL 460.A O no hydrogen 2.753 N/A SER 532.A N ILE 507.A O no hydrogen 3.038 N/A MET 533.A N ASN 462.A O no hydrogen 2.823 N/A ALA 536.A N MET 533.A O no hydrogen 3.007 N/A ARG 537.A NE SER 534.A O no hydrogen 2.784 N/A ARG 537.A NH2 SER 534.A O no hydrogen 3.225 N/A CYS 539.A SG ASN 386.A O no hydrogen 3.701 N/A CYS 539.A SG ASN 386.A OD1 no hydrogen 3.481 N/A ARG 540.A N TYR 355.A OH no hydrogen 2.949 N/A ARG 540.A NE GLU 538.A OE2 no hydrogen 2.787 N/A ARG 540.A NH1 GLU 354.A O no hydrogen 2.888 N/A ARG 540.A NH2 GLU 538.A OE2 no hydrogen 3.306 N/A ARG 542.A N SER 553.A O no hydrogen 2.898 N/A ARG 542.A NH1 GLU 538.A OE2 no hydrogen 2.955 N/A ARG 542.A NH1 CYS 539.A O no hydrogen 2.855 N/A TYR 545.A OH.A VAL 278.A O no hydrogen 2.748 N/A GLN 551.A N ALA 548.A O no hydrogen 3.008 N/A GLN 552.A NE2 ALA 253.A O no hydrogen 3.118 N/A GLN 552.A NE2 GLY 255.A O no hydrogen 2.908 N/A SER 553.A N ARG 542.A O no hydrogen 2.726 N/A