Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pmn_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 142.A OD2 no hydrogen 2.839 N/A MET 1.A N ASP 147.A OD1 no hydrogen 3.076 N/A MET 1.A N ASP 147.A OD2 no hydrogen 3.304 N/A TYR 2.A OH SER 135.A O no hydrogen 2.669 N/A TYR 3.A N CYS 140.A O no hydrogen 3.106 N/A TYR 3.A OH GLN 139.A OE1 no hydrogen 2.946 N/A GLY 4.A N GLN 7.A OE1 no hydrogen 3.161 N/A GLN 7.A N GLY 4.A O no hydrogen 2.842 N/A SER 9.A OG GLU 10.A OE2 no hydrogen 2.992 N/A GLU 10.A N GLN 7.A O no hydrogen 3.118 N/A TYR 12.A N PHE 8.A O no hydrogen 3.006 N/A ASN 13.A N SER 9.A O no hydrogen 2.851 N/A LYS 14.A N GLU 10.A O no hydrogen 2.884 N/A LYS 14.A NZ ASP 117.A OD1 no hydrogen 2.849 N/A ILE 15.A N ALA 11.A O no hydrogen 2.917 N/A LEU 16.A N TYR 12.A O no hydrogen 3.006 N/A ARG 17.A N ASN 13.A O no hydrogen 2.859 N/A ASN 18.A N LYS 14.A O no hydrogen 2.899 N/A ASN 18.A ND2 ASP 117.A OD2 no hydrogen 2.877 N/A SER 19.A N ILE 15.A O no hydrogen 2.864 N/A SER 19.A OG ASN 79.A OD1 no hydrogen 2.730 N/A SER 19.A OG SER 80.A OG no hydrogen 2.578 N/A SER 21.A OG GLN 26.A OE1 no hydrogen 2.799 N/A SER 23.A OG SER 24.A OG no hydrogen 2.913 N/A SER 24.A N SER 21.A OG no hydrogen 3.274 N/A SER 24.A OG SER 23.A OG no hydrogen 2.913 N/A GLN 26.A NE2 ASN 18.A O no hydrogen 3.315 N/A GLN 26.A NE2 ASN 79.A OD1 no hydrogen 3.170 N/A VAL 28.A N SER 80.A O no hydrogen 3.221 N/A ILE 29.A N GLN 57.A O no hydrogen 2.684 N/A PHE 30.A N LEU 82.A O no hydrogen 2.768 N/A VAL 31.A N VAL 59.A O no hydrogen 3.050 N/A SER 32.A N VAL 84.A O no hydrogen 3.146 N/A SER 32.A OG VAL 84.A O no hydrogen 3.249 N/A SER 32.A OG GLY 85.A O no hydrogen 3.304 N/A CYS 33.A N ILE 61.A O no hydrogen 3.012 N/A CYS 33.A SG ILE 61.A O no hydrogen 3.571 N/A ALA 38.A N ASN 35.A OD1 no hydrogen 2.872 N/A LEU 39.A N ASN 35.A O no hydrogen 3.000 N/A CYS 40.A N ILE 36.A O no hydrogen 2.875 N/A CYS 40.A SG ILE 36.A O no hydrogen 3.408 N/A ALA 41.A N ASP 37.A O no hydrogen 2.925 N/A THR 42.A N ALA 38.A O no hydrogen 2.921 N/A THR 42.A OG1 ALA 38.A O no hydrogen 2.753 N/A LYS 43.A N LEU 39.A O no hydrogen 2.880 N/A MET 44.A N CYS 40.A O no hydrogen 2.956 N/A LEU 45.A N ALA 41.A O no hydrogen 2.919 N/A SER 46.A N THR 42.A O no hydrogen 2.822 N/A SER 46.A OG THR 42.A O no hydrogen 3.362 N/A SER 46.A OG LYS 43.A O no hydrogen 2.788 N/A LEU 47.A N LYS 43.A O no hydrogen 2.936 N/A LEU 48.A N MET 44.A O no hydrogen 2.985 N/A PHE 49.A N LEU 45.A O no hydrogen 2.953 N/A LYS 50.A N SER 46.A O no hydrogen 2.805 N/A LYS 51.A N LEU 47.A O no hydrogen 2.958 N/A LYS 51.A NZ GLN 52.A OE1 no hydrogen 2.983 N/A LYS 51.A NZ GLU 206.A OE1 no hydrogen 3.025 N/A LYS 51.A NZ GLU 206.A OE2 no hydrogen 3.084 N/A GLN 52.A N LEU 48.A O no hydrogen 3.020 N/A LEU 53.A N LYS 50.A O no hydrogen 2.844 N/A VAL 54.A N PHE 49.A O no hydrogen 2.804 N/A GLN 55.A NE2 SER 21.A O no hydrogen 3.589 N/A GLN 57.A N LEU 27.A O no hydrogen 2.932 N/A VAL 59.A N ILE 29.A O no hydrogen 2.776 N/A ILE 61.A N VAL 31.A O no hydrogen 2.852 N/A PHE 62.A N GLU 66.A OE1 no hydrogen 2.880 N/A TYR 64.A N ASP 537.A O no hydrogen 2.786 N/A LEU 67.A N GLY 63.A O no hydrogen 2.973 N/A ARG 68.A N TYR 64.A O no hydrogen 2.933 N/A ARG 68.A NH1 GLU 97.A OE2 no hydrogen 2.881 N/A ARG 69.A N SER 65.A O no hydrogen 3.022 N/A HIS 70.A N GLU 66.A O no hydrogen 2.851 N/A TYR 71.A N LEU 67.A O no hydrogen 2.835 N/A TYR 71.A OH TYR 103.A OH no hydrogen 2.951 N/A SER 72.A N ARG 68.A O no hydrogen 3.034 N/A GLN 73.A N ARG 69.A O no hydrogen 3.332 N/A GLN 73.A NE2 HIS 70.A ND1 no hydrogen 3.205 N/A LEU 74.A N TYR 71.A O no hydrogen 3.182 N/A ASN 77.A N ASP 75.A OD2 no hydrogen 3.060 N/A ASN 77.A ND2 CYS 25.A O no hydrogen 2.704 N/A ILE 78.A N ASP 75.A O no hydrogen 3.023 N/A ASN 79.A ND2 ASN 18.A O no hydrogen 2.901 N/A SER 80.A OG SER 19.A OG no hydrogen 2.578 N/A SER 80.A OG ASN 79.A O no hydrogen 2.723 N/A LEU 81.A N ASP 117.A O no hydrogen 2.930 N/A LEU 82.A N VAL 28.A O no hydrogen 2.949 N/A LEU 83.A N TYR 119.A O no hydrogen 2.855 N/A VAL 84.A N PHE 30.A O no hydrogen 2.814 N/A GLY 85.A N LEU 121.A O no hydrogen 2.644 N/A GLY 88.A N ASP 122.A OD2 no hydrogen 2.827 N/A LEU 92.A N ASN 131.A OD1 no hydrogen 3.102 N/A ALA 94.A N ASP 91.A OD1 no hydrogen 3.225 N/A PHE 95.A N ASP 91.A O no hydrogen 2.763 N/A LEU 96.A N LEU 92.A O no hydrogen 2.749 N/A GLU 97.A N ALA 94.A O no hydrogen 2.994 N/A ILE 98.A N GLU 93.A O no hydrogen 2.897 N/A GLN 101.A N ASP 99.A OD1 no hydrogen 3.215 N/A GLU 102.A N ASP 99.A O no hydrogen 2.998 N/A TYR 103.A N PRO 100.A O no hydrogen 3.037 N/A ILE 105.A N SER 113.A O no hydrogen 2.639 N/A THR 107.A OG1 GLU 111.A O no hydrogen 2.560 N/A SER 109.A OG GLU 111.A OE1 no hydrogen 2.665 N/A SER 113.A N ILE 105.A O no hydrogen 3.162 N/A SER 113.A OG ILE 105.A O no hydrogen 2.521 N/A ARG 115.A N TYR 103.A O no hydrogen 2.808 N/A ARG 115.A NE GLU 102.A O no hydrogen 3.080 N/A ARG 115.A NH1 ASP 76.A OD1 no hydrogen 2.756 N/A ARG 115.A NH2 ASP 76.A OD1 no hydrogen 3.219 N/A ARG 115.A NH2 GLU 102.A OE2 no hydrogen 2.901 N/A ARG 116.A NE ILE 78.A O no hydrogen 2.844 N/A ARG 116.A NH1 TYR 71.A OH no hydrogen 3.330 N/A ARG 116.A NH2 ILE 78.A O no hydrogen 3.082 N/A ASP 117.A N ASN 79.A O no hydrogen 3.137 N/A TYR 119.A N LEU 81.A O no hydrogen 2.864 N/A VAL 120.A N GLN 139.A O no hydrogen 2.933 N/A LEU 121.A N LEU 83.A O no hydrogen 2.755 N/A HIS 124.A N ASP 122.A OD1 no hydrogen 2.946 N/A HIS 124.A ND1 ASP 122.A OD1 no hydrogen 2.737 N/A ARG 125.A N THR 188.A O no hydrogen 2.688 N/A ARG 125.A NE ASP 143.A OD2 no hydrogen 3.237 N/A ARG 125.A NH1 ASP 122.A O no hydrogen 2.853 N/A ARG 125.A NH1 HIS 124.A O no hydrogen 2.639 N/A ARG 125.A NH2 ASP 122.A O no hydrogen 3.359 N/A ARG 125.A NH2 ASP 143.A OD2 no hydrogen 2.611 N/A ASN 128.A N GLY 88.A O no hydrogen 2.923 N/A ASN 128.A ND2 ASP 130.A OD2 no hydrogen 2.936 N/A LEU 129.A N TYR 183.A OH no hydrogen 2.951 N/A ASN 131.A N ASN 128.A OD1 no hydrogen 2.809 N/A ASN 131.A ND2 GLY 87.A O no hydrogen 3.156 N/A ASN 131.A ND2 GLY 88.A O no hydrogen 3.223 N/A ASN 131.A ND2 ILE 90.A O no hydrogen 2.646 N/A ILE 132.A N ASN 128.A O no hydrogen 3.261 N/A PHE 133.A N LEU 129.A O no hydrogen 2.862 N/A GLY 134.A N LEU 129.A O no hydrogen 3.245 N/A SER 135.A N ASP 130.A O no hydrogen 2.606 N/A SER 135.A OG GLU 93.A OE2 no hydrogen 2.647 N/A ILE 137.A N SER 135.A OG no hydrogen 2.996 N/A ILE 138.A N SER 135.A OG no hydrogen 2.853 N/A GLN 139.A N ILE 118.A O no hydrogen 2.899 N/A GLN 139.A NE2 ASP 117.A OD1 no hydrogen 2.915 N/A GLN 139.A NE2 ILE 137.A O no hydrogen 2.942 N/A PHE 141.A N VAL 120.A O no hydrogen 2.896 N/A ASP 142.A N TYR 3.A O no hydrogen 2.985 N/A GLY 144.A N ASP 142.A OD1 no hydrogen 3.123 N/A THR 145.A OG1 ASP 143.A OD1 no hydrogen 2.683 N/A THR 145.A OG1 ASP 143.A OD2 no hydrogen 3.046 N/A VAL 146.A N ASP 142.A OD2 no hydrogen 3.320 N/A ASP 148.A N GLY 144.A O no hydrogen 2.840 N/A THR 149.A N VAL 146.A O no hydrogen 3.306 N/A THR 149.A OG1 THR 145.A O no hydrogen 2.709 N/A LEU 150.A N VAL 146.A O no hydrogen 2.891 N/A GLN 153.A N GLN 153.A OE1 no hydrogen 2.633 N/A LYS 154.A N LEU 150.A O no hydrogen 2.823 N/A GLU 155.A N GLY 151.A O no hydrogen 2.960 N/A ALA 156.A N GLU 152.A O no hydrogen 2.852 N/A TYR 157.A N GLN 153.A O no hydrogen 2.857 N/A TYR 157.A OH ASP 130.A OD1 no hydrogen 2.734 N/A TYR 158.A N LYS 154.A O no hydrogen 2.989 N/A LYS 159.A N GLU 155.A O no hydrogen 2.901 N/A LYS 159.A NZ GLU 155.A OE2 no hydrogen 2.739 N/A LEU 160.A N ALA 156.A O no hydrogen 2.894 N/A LEU 161.A N TYR 157.A O no hydrogen 2.887 N/A GLU 162.A N TYR 158.A O no hydrogen 2.865 N/A LEU 163.A N LYS 159.A O no hydrogen 2.830 N/A LEU 163.A N LEU 160.A O no hydrogen 3.168 N/A ASP 164.A N GLU 162.A O no hydrogen 2.876 N/A LYS 169.A N ARG 165.A O no hydrogen 2.831 N/A LYS 170.A N LYS 166.A O no hydrogen 2.959 N/A GLN 171.A N GLN 167.A O no hydrogen 2.875 N/A GLN 171.A NE2 GLN 167.A OE1 no hydrogen 2.994 N/A ILE 172.A N ARG 168.A O no hydrogen 2.936 N/A HIS 173.A N LYS 169.A O no hydrogen 2.986 N/A GLU 174.A N LYS 170.A O no hydrogen 2.915 N/A TYR 175.A N GLN 171.A O no hydrogen 2.968 N/A TYR 175.A OH GLN 171.A OE1 no hydrogen 2.774 N/A GLU 176.A N ILE 172.A O no hydrogen 2.972 N/A GLY 177.A N HIS 173.A O no hydrogen 2.946 N/A VAL 178.A N GLU 174.A O no hydrogen 2.949 N/A LEU 179.A N TYR 175.A O no hydrogen 2.966 N/A GLU 180.A N GLU 176.A O no hydrogen 2.902 N/A GLU 181.A N GLY 177.A O no hydrogen 2.985 N/A GLU 181.A N VAL 178.A O no hydrogen 3.130 N/A TYR 182.A N VAL 178.A O no hydrogen 2.870 N/A TYR 182.A OH TRP 127.A O no hydrogen 2.730 N/A TYR 183.A N LEU 179.A O no hydrogen 2.882 N/A GLN 185.A N TYR 182.A O no hydrogen 3.343 N/A GLN 185.A NE2 TYR 182.A O no hydrogen 2.810 N/A THR 187.A N ASN 517.A O no hydrogen 2.538 N/A THR 187.A OG1 SER 520.A OG no hydrogen 2.762 N/A THR 188.A N ARG 125.A O no hydrogen 2.845 N/A THR 188.A OG1 THR 187.A O no hydrogen 2.486 N/A VAL 190.A N ALA 123.A O no hydrogen 3.136 N/A ASN 191.A ND2 GLN 196.A OE1 no hydrogen 2.992 N/A SER 192.A OG THR 219.A OG1 no hydrogen 2.917 N/A ILE 193.A N ASP 37.A OD2 no hydrogen 2.558 N/A SER 194.A N ASP 37.A OD1 no hydrogen 3.042 N/A SER 194.A OG ASP 37.A OD1 no hydrogen 2.733 N/A SER 194.A OG ASN 215.A O no hydrogen 3.525 N/A ALA 195.A N SER 192.A OG no hydrogen 3.209 N/A GLN 196.A N SER 192.A O no hydrogen 3.163 N/A GLN 196.A NE2 PHE 141.A O no hydrogen 3.094 N/A ILE 197.A N ILE 193.A O no hydrogen 2.956 N/A TYR 198.A N SER 194.A O no hydrogen 2.845 N/A TYR 198.A OH GLU 240.A OE1 no hydrogen 2.571 N/A SER 199.A N ALA 195.A O no hydrogen 2.873 N/A SER 199.A OG GLN 196.A O no hydrogen 2.618 N/A LEU 200.A N GLN 196.A O no hydrogen 3.012 N/A LEU 201.A N ILE 197.A O no hydrogen 2.864 N/A SER 202.A N TYR 198.A O no hydrogen 2.849 N/A SER 202.A OG TYR 198.A O no hydrogen 3.159 N/A ALA 203.A N SER 199.A O no hydrogen 2.953 N/A ILE 204.A N LEU 200.A O no hydrogen 2.917 N/A GLY 205.A N LEU 201.A O no hydrogen 2.855 N/A GLU 206.A N LEU 201.A O no hydrogen 2.752 N/A ASN 211.A N ASN 208.A OD1 no hydrogen 2.786 N/A ASN 211.A ND2 GLU 206.A O no hydrogen 3.377 N/A LEU 212.A N ASN 208.A O no hydrogen 2.775 N/A TRP 213.A N LEU 209.A O no hydrogen 2.890 N/A LEU 214.A N SER 210.A O no hydrogen 3.012 N/A ASN 215.A N ASN 211.A O no hydrogen 2.938 N/A ILE 216.A N LEU 212.A O no hydrogen 2.851 N/A LEU 217.A N TRP 213.A O no hydrogen 2.888 N/A GLY 218.A N LEU 214.A O no hydrogen 2.939 N/A THR 219.A N ASN 215.A O no hydrogen 2.929 N/A THR 219.A OG1 SER 192.A OG no hydrogen 2.917 N/A THR 219.A OG1 ASN 215.A O no hydrogen 2.931 N/A THR 219.A OG1 ASN 215.A OD1 no hydrogen 3.194 N/A THR 220.A N ILE 216.A O no hydrogen 2.760 N/A THR 220.A OG1 ILE 216.A O no hydrogen 2.521 N/A SER 221.A N LEU 217.A O no hydrogen 2.980 N/A SER 221.A OG GLY 218.A O no hydrogen 2.681 N/A LEU 222.A N THR 219.A O no hydrogen 3.065 N/A ASP 223.A N THR 220.A O no hydrogen 3.064 N/A TYR 226.A N LEU 222.A O no hydrogen 2.820 N/A GLN 228.A N GLN 228.A OE1 no hydrogen 2.777 N/A TYR 230.A N TYR 226.A O no hydrogen 3.276 N/A ASN 231.A N ALA 227.A O no hydrogen 2.949 N/A ARG 232.A N GLN 228.A O no hydrogen 2.877 N/A ARG 232.A NH2 VAL 190.A O no hydrogen 2.801 N/A LEU 233.A N VAL 229.A O no hydrogen 2.986 N/A TYR 234.A N TYR 230.A O no hydrogen 2.917 N/A TYR 234.A OH ASP 349.A O no hydrogen 2.916 N/A LEU 237.A N LEU 233.A O no hydrogen 3.421 N/A GLN 238.A N TYR 234.A O no hydrogen 3.136 N/A ASP 239.A N PRO 235.A O no hydrogen 3.003 N/A GLU 240.A N LEU 236.A O no hydrogen 2.986 N/A VAL 241.A N LEU 237.A O no hydrogen 2.903 N/A LYS 242.A N GLN 238.A O no hydrogen 3.034 N/A ARG 243.A N ASP 239.A O no hydrogen 2.880 N/A ARG 243.A NE GLU 240.A OE2 no hydrogen 2.950 N/A ARG 243.A NH2 THR 207.A OG1 no hydrogen 2.796 N/A ARG 243.A NH2 GLU 240.A OE1 no hydrogen 2.729 N/A LEU 244.A N GLU 240.A O no hydrogen 2.964 N/A THR 245.A N VAL 241.A O no hydrogen 2.847 N/A THR 245.A OG1 VAL 241.A O no hydrogen 2.482 N/A SER 248.A OG SER 251.A OG no hydrogen 2.922 N/A ARG 249.A NH1 PRO 246.A O no hydrogen 2.745 N/A ARG 249.A NH1 SER 248.A O no hydrogen 2.567 N/A ARG 249.A NH2 PRO 246.A O no hydrogen 3.492 N/A SER 251.A OG SER 248.A OG no hydrogen 2.922 N/A THR 254.A N THR 257.A OG1 no hydrogen 3.330 N/A THR 254.A OG1 VAL 252.A O no hydrogen 2.781 N/A THR 257.A N THR 254.A O no hydrogen 2.917 N/A THR 257.A OG1 THR 254.A O no hydrogen 2.611 N/A THR 259.A N THR 354.A O no hydrogen 3.076 N/A THR 259.A OG1 THR 354.A O no hydrogen 3.076 N/A ASN 261.A N VAL 352.A O no hydrogen 2.845 N/A ASN 261.A ND2 GLN 263.A OE1 no hydrogen 2.966 N/A GLN 263.A N GLY 350.A O no hydrogen 3.148 N/A ASP 265.A N ARG 348.A O no hydrogen 2.821 N/A TYR 267.A N ILE 346.A O no hydrogen 3.027 N/A TYR 267.A OH ASP 223.A OD2 no hydrogen 2.671 N/A PHE 269.A N SER 279.A O no hydrogen 2.882 N/A ARG 272.A N GLU 365.A OE2 no hydrogen 2.699 N/A ARG 272.A NH1 ASP 265.A OD1 no hydrogen 2.845 N/A ARG 272.A NH1 GLU 365.A OE1 no hydrogen 2.843 N/A ARG 272.A NH1 GLU 365.A OE2 no hydrogen 3.330 N/A ARG 272.A NH2 ASP 265.A OD1 no hydrogen 3.033 N/A HIS 273.A N LEU 270.A O no hydrogen 3.295 N/A SER 274.A N LEU 270.A O no hydrogen 2.711 N/A SER 274.A OG PHE 269.A O no hydrogen 3.124 N/A SER 274.A OG LEU 270.A O no hydrogen 2.669 N/A SER 275.A OG ASP 278.A OD2 no hydrogen 2.807 N/A SER 275.A OG ALA 315.A O no hydrogen 3.444 N/A TYR 277.A N ALA 315.A O no hydrogen 2.805 N/A ASP 278.A N SER 275.A OG no hydrogen 2.963 N/A SER 279.A N SER 275.A O no hydrogen 3.047 N/A SER 279.A OG SER 275.A O no hydrogen 3.428 N/A SER 279.A OG LEU 276.A O no hydrogen 2.717 N/A PHE 280.A N LEU 276.A O no hydrogen 3.029 N/A TYR 281.A N TYR 277.A O no hydrogen 2.848 N/A TYR 282.A N ASP 278.A O no hydrogen 2.921 N/A SER 283.A N PHE 280.A O no hydrogen 3.189 N/A SER 283.A OG TYR 267.A O no hydrogen 3.145 N/A TYR 285.A OH GLY 342.A O no hydrogen 3.364 N/A TYR 285.A OH ASP 345.A OD2 no hydrogen 2.696 N/A VAL 286.A N SER 283.A OG no hydrogen 3.409 N/A ASN 287.A N SER 283.A O no hydrogen 3.069 N/A ALA 288.A N ASN 284.A O no hydrogen 2.940 N/A LYS 289.A N TYR 285.A O no hydrogen 2.870 N/A LYS 289.A NZ GLU 476.A OE1 no hydrogen 2.799 N/A LEU 290.A N VAL 286.A O no hydrogen 2.930 N/A LEU 292.A N ASN 287.A O no hydrogen 3.186 N/A ASN 294.A ND2 SER 291.A OG no hydrogen 2.920 N/A GLY 297.A N ASN 294.A OD1 no hydrogen 3.105 N/A LYS 298.A N ASN 294.A O no hydrogen 3.102 N/A LYS 298.A NZ GLU 295.A OE2 no hydrogen 2.880 N/A LYS 299.A N GLU 295.A O no hydrogen 2.870 N/A ARG 300.A N ASN 296.A O no hydrogen 2.921 N/A ARG 300.A NE LEU 290.A O no hydrogen 3.156 N/A ARG 300.A NH2 LEU 290.A O no hydrogen 2.840 N/A LEU 301.A N GLY 297.A O no hydrogen 2.962 N/A HIS 302.A N LYS 298.A O no hydrogen 3.046 N/A HIS 302.A ND1 LYS 298.A O no hydrogen 2.906 N/A LYS 303.A N LYS 299.A O no hydrogen 2.834 N/A MET 304.A N ARG 300.A O no hydrogen 2.874 N/A PHE 305.A N LEU 301.A O no hydrogen 3.083 N/A ALA 306.A N HIS 302.A O no hydrogen 2.957 N/A ARG 307.A N LYS 303.A O no hydrogen 2.913 N/A MET 308.A N MET 304.A O no hydrogen 2.880 N/A GLY 309.A N ALA 306.A O no hydrogen 3.134 N/A ILE 310.A N PHE 305.A O no hydrogen 3.160 N/A ALA 315.A N PRO 311.A O no hydrogen 2.845 N/A GLN 316.A N LEU 312.A O no hydrogen 2.965 N/A GLU 317.A N THR 314.A O no hydrogen 3.094 N/A TRP 319.A N SER 274.A O no hydrogen 3.143 N/A MET 322.A N THR 318.A O no hydrogen 2.856 N/A SER 325.A N ASP 323.A OD1 no hydrogen 3.141 N/A SER 325.A OG ASP 323.A OD1 no hydrogen 3.169 N/A SER 325.A OG ASP 323.A OD2 no hydrogen 3.239 N/A LYS 327.A N ASP 323.A O no hydrogen 2.956 N/A LYS 327.A NZ TRP 319.A O no hydrogen 3.129 N/A LYS 327.A NZ LEU 320.A O no hydrogen 2.846 N/A LYS 327.A NZ MET 322.A O no hydrogen 2.618 N/A ARG 328.A N HIS 324.A O no hydrogen 2.891 N/A GLU 329.A N SER 325.A O no hydrogen 2.917 N/A ILE 333.A N GLU 329.A O no hydrogen 3.008 N/A PHE 334.A N LEU 330.A O no hydrogen 2.837 N/A ASP 335.A N GLY 331.A O no hydrogen 2.915 N/A LYS 336.A N ILE 332.A O no hydrogen 2.930 N/A ASN 337.A N PHE 334.A O no hydrogen 3.029 N/A LEU 338.A N PHE 334.A O no hydrogen 2.928 N/A ARG 340.A N ASN 337.A O no hydrogen 2.854 N/A ARG 340.A NH2 LYS 336.A O no hydrogen 3.123 N/A TYR 341.A N LEU 338.A O no hydrogen 3.319 N/A GLY 342.A N ASP 339.A O no hydrogen 3.071 N/A LEU 343.A N LEU 338.A O no hydrogen 2.712 N/A ILE 346.A N LEU 343.A O no hydrogen 2.821 N/A ILE 347.A N GLN 344.A O no hydrogen 3.194 N/A ARG 348.A NH1 ASP 223.A OD2 no hydrogen 2.803 N/A ARG 348.A NH2 ASP 223.A OD1 no hydrogen 2.880 N/A ARG 348.A NH2 ASP 223.A OD2 no hydrogen 3.372 N/A GLY 350.A N GLN 263.A O no hydrogen 2.800 N/A VAL 352.A N ASN 261.A O no hydrogen 3.000 N/A ARG 353.A N ILE 361.A O no hydrogen 2.805 N/A ARG 353.A NH1 ASP 404.A OD1 no hydrogen 2.795 N/A ARG 353.A NH2 ASP 404.A OD1 no hydrogen 3.267 N/A ARG 353.A NH2 ASP 404.A OD2 no hydrogen 2.815 N/A THR 354.A N THR 259.A O no hydrogen 3.061 N/A THR 354.A OG1 GLY 359.A O no hydrogen 2.569 N/A GLY 356.A N THR 257.A O no hydrogen 2.933 N/A TYR 357.A OH LYS 253.A O no hydrogen 3.211 N/A ARG 358.A N LEU 355.A O no hydrogen 3.231 N/A GLY 359.A N TYR 357.A O no hydrogen 3.004 N/A ILE 361.A N ARG 353.A O no hydrogen 2.846 N/A SER 362.A N GLU 365.A OE1 no hydrogen 2.936 N/A SER 362.A OG GLU 365.A OE1 no hydrogen 2.793 N/A ALA 363.A N PHE 351.A O no hydrogen 3.006 N/A SER 364.A OG ASP 265.A OD2 no hydrogen 2.836 N/A GLU 365.A N SER 362.A OG no hydrogen 3.097 N/A PHE 366.A N SER 362.A O no hydrogen 2.886 N/A VAL 367.A N ALA 363.A O no hydrogen 2.918 N/A GLU 368.A N SER 364.A O no hydrogen 3.059 N/A ALA 369.A N GLU 365.A O no hydrogen 2.958 N/A LEU 370.A N PHE 366.A O no hydrogen 2.953 N/A THR 371.A N VAL 367.A O no hydrogen 2.876 N/A THR 371.A OG1 VAL 367.A O no hydrogen 2.916 N/A THR 371.A OG1 GLU 368.A O no hydrogen 2.729 N/A ALA 372.A N GLU 368.A O no hydrogen 2.966 N/A LEU 373.A N ALA 369.A O no hydrogen 2.997 N/A LEU 374.A N LEU 370.A O no hydrogen 2.969 N/A GLU 375.A N THR 371.A O no hydrogen 2.876 N/A VAL 376.A N ALA 372.A O no hydrogen 2.961 N/A ASN 378.A N ASN 394.A OD1 no hydrogen 2.836 N/A ASN 378.A ND2 ASN 394.A OD1 no hydrogen 2.754 N/A GLN 382.A N GLN 382.A OE1 no hydrogen 2.657 N/A LYS 383.A N ASN 379.A O no hydrogen 2.870 N/A LEU 384.A N SER 380.A O no hydrogen 2.910 N/A THR 385.A N ALA 381.A O no hydrogen 2.891 N/A THR 385.A OG1 ALA 381.A O no hydrogen 2.705 N/A ASN 386.A N GLN 382.A O no hydrogen 2.885 N/A LEU 387.A N LYS 383.A O no hydrogen 2.984 N/A ARG 388.A N LEU 384.A O no hydrogen 2.966 N/A ARG 388.A NH1 ASP 537.A OD2 no hydrogen 2.820 N/A ARG 388.A NH2 ASP 537.A OD1 no hydrogen 3.054 N/A ARG 388.A NH2 ASP 537.A OD2 no hydrogen 3.356 N/A ARG 388.A NH2 GLU 545.A OE2 no hydrogen 2.848 N/A LYS 389.A N THR 385.A O no hydrogen 2.840 N/A ARG 390.A NE ASN 378.A O no hydrogen 3.021 N/A ARG 390.A NH2 ASN 378.A O no hydrogen 2.745 N/A TRP 391.A N LEU 387.A O no hydrogen 3.185 N/A VAL 392.A N ARG 388.A O no hydrogen 2.918 N/A SER 393.A N LYS 389.A O no hydrogen 2.894 N/A ASN 394.A N ARG 390.A O no hydrogen 2.815 N/A ASN 394.A ND2 LEU 374.A O no hydrogen 2.838 N/A PHE 395.A N TRP 391.A O no hydrogen 3.354 N/A TRP 396.A N SER 393.A O no hydrogen 3.271 N/A LEU 397.A N ASN 394.A O no hydrogen 3.099 N/A SER 398.A N ASN 394.A O no hydrogen 3.334 N/A SER 398.A OG LEU 370.A O no hydrogen 2.885 N/A TRP 399.A N PHE 395.A O no hydrogen 2.854 N/A ASP 400.A N TRP 396.A O no hydrogen 3.012 N/A ALA 401.A N LEU 397.A O no hydrogen 3.069 N/A LEU 402.A N TRP 399.A O no hydrogen 3.071 N/A ASP 403.A N ASP 400.A O no hydrogen 3.235 N/A ARG 405.A N ASP 403.A OD1 no hydrogen 2.928 N/A ARG 405.A NE ASP 403.A OD1 no hydrogen 3.382 N/A ARG 405.A NE ASP 403.A OD2 no hydrogen 2.997 N/A ARG 405.A NH2 ASP 403.A OD2 no hydrogen 2.786 N/A LYS 406.A N ASP 403.A O no hydrogen 3.042 N/A GLU 408.A N GLU 408.A OE1 no hydrogen 2.602 N/A LEU 409.A N LYS 406.A O no hydrogen 3.077 N/A LEU 410.A N LYS 406.A O no hydrogen 3.383 N/A ASN 411.A N VAL 407.A O no hydrogen 2.891 N/A ASN 411.A ND2 VAL 407.A O no hydrogen 2.813 N/A ARG 412.A N GLU 408.A O no hydrogen 2.955 N/A ARG 412.A NH2 GLY 377.A O no hydrogen 2.927 N/A GLY 413.A N LEU 409.A O no hydrogen 2.966 N/A ILE 414.A N LEU 410.A O no hydrogen 2.875 N/A GLN 415.A N ASN 411.A O no hydrogen 2.997 N/A GLN 415.A NE2 ASP 419.A OD2 no hydrogen 3.034 N/A LEU 416.A N ARG 412.A O no hydrogen 2.950 N/A ALA 417.A N GLY 413.A O no hydrogen 2.865 N/A GLN 418.A N ILE 414.A O no hydrogen 3.037 N/A ASP 419.A N GLN 415.A O no hydrogen 3.069 N/A LEU 420.A N LEU 416.A O no hydrogen 2.829 N/A GLN 421.A N ALA 417.A O no hydrogen 2.953 N/A GLN 421.A NE2 TYR 282.A O no hydrogen 2.901 N/A GLN 421.A NE2 ASN 284.A OD1 no hydrogen 2.813 N/A ARG 422.A N GLN 418.A O no hydrogen 2.981 N/A ARG 422.A NH2 ASP 419.A OD1 no hydrogen 2.923 N/A ALA 423.A N ASP 419.A O no hydrogen 2.988 N/A ILE 424.A N LEU 420.A O no hydrogen 2.866 N/A PHE 425.A N GLN 421.A O no hydrogen 2.890 N/A ASN 426.A N ARG 422.A O no hydrogen 2.977 N/A THR 427.A N ALA 423.A O no hydrogen 2.989 N/A THR 427.A OG1 ALA 423.A O no hydrogen 2.804 N/A THR 427.A OG1 TYR 457.A OH no hydrogen 2.576 N/A GLY 428.A N ILE 424.A O no hydrogen 2.821 N/A VAL 429.A N PHE 425.A O no hydrogen 2.937 N/A ALA 430.A N ASN 426.A O no hydrogen 3.004 N/A ILE 431.A N THR 427.A O no hydrogen 2.913 N/A LEU 432.A N GLY 428.A O no hydrogen 2.947 N/A GLU 433.A N VAL 429.A O no hydrogen 2.874 N/A LYS 434.A N ALA 430.A O no hydrogen 3.104 N/A LYS 435.A N LEU 432.A O no hydrogen 3.350 N/A LEU 436.A N ILE 431.A O no hydrogen 2.885 N/A LYS 438.A N LEU 445.A O no hydrogen 2.701 N/A LEU 440.A N LYS 438.A O no hydrogen 3.199 N/A ARG 444.A N PRO 484.A O no hydrogen 2.870 N/A ARG 444.A NH1 GLN 481.A O no hydrogen 2.793 N/A ARG 444.A NH2 GLN 481.A O no hydrogen 2.909 N/A LEU 445.A N LYS 438.A O no hydrogen 2.832 N/A CYS 446.A N VAL 486.A O no hydrogen 2.962 N/A LEU 448.A N ALA 488.A O no hydrogen 2.831 N/A GLY 451.A N ASP 450.A OD1 no hydrogen 2.680 N/A LEU 456.A N ASP 453.A O no hydrogen 3.194 N/A TYR 457.A N LEU 454.A O no hydrogen 3.268 N/A TYR 457.A OH ALA 423.A O no hydrogen 3.356 N/A TYR 457.A OH THR 427.A OG1 no hydrogen 2.576 N/A ARG 458.A NE ASP 455.A O no hydrogen 2.762 N/A ASN 459.A N LEU 456.A O no hydrogen 2.971 N/A THR 462.A N ASN 459.A OD1 no hydrogen 3.007 N/A THR 462.A OG1 GLU 375.A OE1 no hydrogen 2.590 N/A THR 462.A OG1 ASN 459.A OD1 no hydrogen 3.402 N/A LEU 463.A N ASN 459.A O no hydrogen 3.111 N/A LEU 464.A N PRO 460.A O no hydrogen 2.910 N/A ARG 465.A N LEU 461.A O no hydrogen 2.826 N/A ARG 465.A NE GLN 421.A OE1 no hydrogen 3.246 N/A ARG 465.A NH1 GLU 368.A OE1 no hydrogen 3.230 N/A ARG 465.A NH1 GLU 375.A OE2 no hydrogen 3.087 N/A ARG 465.A NH2 GLU 368.A OE1 no hydrogen 2.607 N/A ARG 465.A NH2 GLN 421.A OE1 no hydrogen 2.866 N/A LEU 466.A N THR 462.A O no hydrogen 3.076 N/A GLY 467.A N LEU 463.A O no hydrogen 2.872 N/A ASN 468.A N LEU 464.A O no hydrogen 2.885 N/A TRP 469.A N ARG 465.A O no hydrogen 2.926 N/A LEU 470.A N LEU 466.A O no hydrogen 2.920 N/A ILE 471.A N GLY 467.A O no hydrogen 2.879 N/A GLU 472.A N ASN 468.A O no hydrogen 2.967 N/A CYS 474.A N LEU 470.A O no hydrogen 2.960 N/A CYS 474.A SG LEU 470.A O no hydrogen 3.695 N/A ALA 475.A N ILE 471.A O no hydrogen 2.881 N/A GLU 476.A N GLU 472.A O no hydrogen 3.101 N/A SER 477.A N CYS 474.A O no hydrogen 3.266 N/A SER 477.A OG CYS 474.A O no hydrogen 2.717 N/A MET 485.A N LEU 502.A O no hydrogen 3.068 N/A VAL 486.A N ARG 444.A O no hydrogen 2.880 N/A LEU 487.A N ALA 500.A O no hydrogen 2.958 N/A ALA 488.A N CYS 446.A O no hydrogen 2.910 N/A SER 489.A N LEU 498.A O no hydrogen 2.971 N/A ILE 490.A N LEU 448.A O no hydrogen 3.323 N/A ASP 491.A N THR 496.A O no hydrogen 2.879 N/A ASN 493.A N ASP 491.A OD1 no hydrogen 3.054 N/A ASN 493.A ND2 ASP 491.A OD1 no hydrogen 2.790 N/A THR 494.A N ASP 491.A OD2 no hydrogen 3.118 N/A THR 494.A OG1 ASP 491.A OD2 no hydrogen 2.557 N/A ASP 495.A N ASP 491.A O no hydrogen 2.703 N/A TYR 497.A N ILE 546.A O no hydrogen 2.686 N/A TYR 497.A OH GLN 449.A OE1 no hydrogen 2.666 N/A LEU 498.A N SER 489.A O no hydrogen 2.886 N/A VAL 499.A N ILE 544.A O no hydrogen 2.775 N/A ALA 500.A N LEU 487.A O no hydrogen 2.758 N/A GLY 501.A N SER 542.A O no hydrogen 2.716 N/A LEU 502.A N MET 485.A O no hydrogen 2.776 N/A THR 503.A OG1 PRO 504.A O no hydrogen 2.936 N/A ARG 505.A NE GLU 472.A OE2 no hydrogen 2.839 N/A ARG 505.A NH1 ASN 468.A OD1 no hydrogen 3.033 N/A ARG 505.A NH2 ASN 468.A OD1 no hydrogen 2.914 N/A ARG 505.A NH2 GLU 472.A OE2 no hydrogen 2.812 N/A TYR 506.A OH LYS 513.A O no hydrogen 2.793 N/A ARG 508.A N GLU 476.A OE2 no hydrogen 2.800 N/A ARG 508.A NH1 ASP 223.A O no hydrogen 2.872 N/A ARG 508.A NH2 ILE 224.A O no hydrogen 2.918 N/A ARG 508.A NH2 GLU 472.A OE2 no hydrogen 2.646 N/A LEU 510.A N PRO 507.A O no hydrogen 3.178 N/A ASN 517.A N THR 187.A O no hydrogen 2.942 N/A ASN 517.A ND2 GLY 501.A O no hydrogen 2.927 N/A ASN 518.A ND2 LEU 564.A OXT no hydrogen 2.916 N/A PHE 519.A N ASN 517.A OD1 no hydrogen 3.070 N/A SER 520.A OG THR 187.A OG1 no hydrogen 2.762 N/A SER 520.A OG ASN 517.A O no hydrogen 3.305 N/A ALA 522.A N ASN 518.A O no hydrogen 3.234 N/A PHE 523.A N PHE 519.A O no hydrogen 2.919 N/A GLN 524.A NE2 SER 520.A O no hydrogen 2.866 N/A GLN 525.A N MET 521.A O no hydrogen 2.900 N/A ILE 526.A N ALA 522.A O no hydrogen 3.018 N/A THR 527.A N PHE 523.A O no hydrogen 2.877 N/A THR 527.A OG1 PHE 523.A O no hydrogen 2.673 N/A ALA 528.A N GLN 524.A O no hydrogen 2.838 N/A GLU 529.A N GLN 525.A O no hydrogen 2.987 N/A THR 530.A N ILE 526.A O no hydrogen 2.993 N/A ALA 532.A N THR 530.A OG1 no hydrogen 3.074 N/A LYS 533.A N ASP 550.A OD2 no hydrogen 2.962 N/A LYS 533.A NZ ASP 550.A OD1 no hydrogen 3.508 N/A ARG 535.A N GLU 545.A O no hydrogen 2.763 N/A ARG 535.A NH2 ASP 537.A OD2 no hydrogen 2.904 N/A GLU 540.A N ASN 538.A OD1 no hydrogen 2.855 N/A ILE 543.A N GLU 540.A O no hydrogen 2.886 N/A ILE 544.A N VAL 499.A O no hydrogen 2.894 N/A GLU 545.A N ARG 535.A O no hydrogen 3.188 N/A ILE 546.A N TYR 497.A O no hydrogen 2.859 N/A ARG 547.A NE GLU 549.A OE1 no hydrogen 2.912 N/A ARG 547.A NH2 GLU 549.A OE1 no hydrogen 3.481 N/A ARG 547.A NH2 GLU 549.A OE2 no hydrogen 2.778 N/A ARG 548.A N ASP 495.A O no hydrogen 3.155 N/A ARG 548.A NE ASP 495.A OD1 no hydrogen 2.674 N/A ARG 548.A NH1 GLU 492.A OE2 no hydrogen 3.185 N/A ARG 548.A NH2 GLU 492.A OE1 no hydrogen 2.860 N/A ARG 548.A NH2 ASP 495.A OD1 no hydrogen 2.769 N/A GLU 549.A N GLU 549.A OE1 no hydrogen 2.743 N/A ASP 550.A N ARG 547.A O no hydrogen 3.141 N/A LEU 551.A N ARG 548.A O no hydrogen 3.361 N/A PHE 554.A N ASP 550.A O no hydrogen 3.067 N/A LEU 555.A N LEU 551.A O no hydrogen 2.793 N/A GLU 556.A N SER 552.A O no hydrogen 2.926 N/A LYS 557.A N PRO 553.A O no hydrogen 2.931 N/A LYS 557.A NZ GLU 529.A OE1 no hydrogen 2.929 N/A LYS 557.A NZ GLU 529.A OE2 no hydrogen 3.298 N/A LEU 558.A N PHE 554.A O no hydrogen 2.853 N/A THR 559.A N LEU 555.A O no hydrogen 2.880 N/A LEU 560.A N GLU 556.A O no hydrogen 2.977 N/A SER 561.A N LYS 557.A O no hydrogen 3.130 N/A SER 561.A N LEU 558.A O no hydrogen 2.887 N/A LEU 563.A N SER 561.A OG no hydrogen 3.358 N/A