Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4c2u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 8.A N ASP 5.A OD2 no hydrogen 3.148 N/A ALA 9.A N ASP 5.A O no hydrogen 3.263 N/A ASN 11.A N GLN 14.A OE1 no hydrogen 2.800 N/A ASN 11.A ND2 TYR 284.A OH no hydrogen 2.906 N/A GLN 14.A N ASN 11.A OD1 no hydrogen 2.864 N/A GLN 14.A NE2 SER 33.A O no hydrogen 3.300 N/A ALA 15.A N ASN 11.A O no hydrogen 2.759 N/A GLN 16.A N PRO 12.A O no hydrogen 2.810 N/A ALA 17.A N THR 13.A O no hydrogen 3.081 N/A ALA 18.A N GLN 14.A O no hydrogen 2.819 N/A ASP 19.A N GLN 16.A O no hydrogen 3.150 N/A HIS 20.A N ALA 17.A O no hydrogen 2.887 N/A HIS 20.A ND1 TYR 278.A OH no hydrogen 2.871 N/A HIS 20.A NE2 GLY 23.A O no hydrogen 2.758 N/A GLY 23.A N ASN 243.A OD1 no hydrogen 2.840 N/A ALA 25.A N LEU 244.A O no hydrogen 2.708 N/A LEU 26.A N LYS 276.A O no hydrogen 2.741 N/A VAL 27.A N VAL 246.A O no hydrogen 2.878 N/A ILE 28.A N TYR 278.A O no hydrogen 2.995 N/A SER 33.A OG GLY 30.A O no hydrogen 2.674 N/A LYS 35.A NZ ALA 29.A O no hydrogen 3.317 N/A LYS 35.A NZ GLY 30.A O no hydrogen 3.041 N/A THR 36.A OG1 ASP 221.A OD2 no hydrogen 3.325 N/A ARG 37.A NE ALA 9.A O no hydrogen 3.330 N/A ARG 37.A NH2 ALA 9.A O no hydrogen 2.398 N/A THR 38.A N GLY 34.A O no hydrogen 3.015 N/A THR 38.A OG1 GLY 34.A O no hydrogen 2.770 N/A LEU 39.A N LYS 35.A O no hydrogen 3.043 N/A ILE 40.A N THR 36.A O no hydrogen 3.106 N/A ILE 40.A N ARG 37.A O no hydrogen 3.154 N/A TYR 41.A N ARG 37.A O no hydrogen 3.129 N/A ARG 42.A N THR 38.A O no hydrogen 2.735 N/A ARG 42.A NH2 PHE 21.A O no hydrogen 2.905 N/A ILE 43.A N LEU 39.A O no hydrogen 3.162 N/A ALA 44.A N ILE 40.A O no hydrogen 3.273 N/A HIS 45.A N TYR 41.A O no hydrogen 2.868 N/A HIS 45.A NE2 ASP 19.A OD1 no hydrogen 2.971 N/A LEU 46.A N ARG 42.A O no hydrogen 2.846 N/A ILE 47.A N ILE 43.A O no hydrogen 3.367 N/A GLY 48.A N ALA 44.A O no hydrogen 2.711 N/A HIS 49.A N HIS 45.A O no hydrogen 2.826 N/A TYR 50.A N HIS 45.A O no hydrogen 3.323 N/A TYR 50.A N LEU 46.A O no hydrogen 3.249 N/A TYR 50.A OH ASP 19.A O no hydrogen 3.082 N/A TYR 50.A OH ASP 19.A OD1 no hydrogen 2.961 N/A VAL 52.A N LEU 46.A O no hydrogen 2.781 N/A HIS 53.A N GLU 56.A OE1 no hydrogen 3.080 N/A GLY 55.A N HIS 53.A ND1 no hydrogen 2.771 N/A GLU 56.A N HIS 53.A O no hydrogen 2.725 N/A ILE 57.A N PRO 54.A O no hydrogen 2.897 N/A LEU 58.A N PHE 217.A O no hydrogen 2.961 N/A ALA 59.A N TRP 85.A O no hydrogen 3.002 N/A VAL 60.A N HIS 219.A O no hydrogen 2.833 N/A THR 61.A N SER 87.A O no hydrogen 2.944 N/A THR 61.A OG1 THR 63.A O no hydrogen 2.757 N/A LYS 65.A N ASP 543.A OD1 no hydrogen 2.799 N/A LYS 65.A NZ ASP 544.A OD1 no hydrogen 3.013 N/A ALA 66.A N THR 63.A OG1 no hydrogen 3.060 N/A ALA 67.A N THR 63.A O no hydrogen 3.050 N/A ALA 68.A N ASN 64.A O no hydrogen 2.761 N/A GLU 69.A N LYS 65.A O no hydrogen 2.922 N/A MET 70.A N ALA 66.A O no hydrogen 3.103 N/A ARG 71.A N ALA 67.A O no hydrogen 2.950 N/A ARG 71.A NE ALA 81.A O no hydrogen 3.061 N/A ARG 71.A NH2 LEU 84.A O no hydrogen 2.814 N/A GLU 72.A N ALA 68.A O no hydrogen 3.038 N/A ARG 73.A N GLU 69.A O no hydrogen 3.283 N/A ALA 74.A N MET 70.A O no hydrogen 2.959 N/A GLY 75.A N ARG 71.A O no hydrogen 2.917 N/A HIS 76.A N GLU 72.A O no hydrogen 3.198 N/A LEU 77.A N ALA 74.A O no hydrogen 2.995 N/A VAL 78.A N ALA 74.A O no hydrogen 3.166 N/A ASP 83.A N GLY 80.A O no hydrogen 3.161 N/A LEU 84.A N ALA 81.A O no hydrogen 3.268 N/A TRP 85.A N ILE 57.A O no hydrogen 3.150 N/A SER 87.A N ALA 59.A O no hydrogen 3.173 N/A SER 87.A OG THR 88.A O no hydrogen 2.809 N/A SER 91.A N THR 88.A OG1 no hydrogen 2.783 N/A SER 91.A OG ASN 64.A OD1 no hydrogen 3.013 N/A ALA 92.A N THR 88.A O no hydrogen 2.939 N/A GLY 93.A N PHE 89.A O no hydrogen 2.845 N/A VAL 94.A N HIS 90.A O no hydrogen 3.067 N/A ARG 95.A N SER 91.A O no hydrogen 3.152 N/A ILE 96.A N ALA 92.A O no hydrogen 2.874 N/A LEU 97.A N GLY 93.A O no hydrogen 2.922 N/A ARG 98.A N VAL 94.A O no hydrogen 2.837 N/A ARG 98.A NE ASP 534.A OD2 no hydrogen 2.796 N/A ARG 98.A NH1 PHE 110.A O no hydrogen 2.746 N/A ARG 98.A NH2 PHE 110.A O no hydrogen 3.165 N/A ARG 98.A NH2 ASP 534.A OD1 no hydrogen 2.875 N/A ARG 98.A NH2 ASP 534.A OD2 no hydrogen 3.303 N/A THR 99.A N ARG 95.A O no hydrogen 3.175 N/A THR 99.A OG1 ARG 95.A O no hydrogen 2.972 N/A TYR 100.A N ILE 96.A O no hydrogen 2.876 N/A TYR 100.A N LEU 97.A O no hydrogen 3.090 N/A GLY 101.A N LEU 97.A O no hydrogen 2.537 N/A GLU 102.A N.A GLU 102.A OE1.A no hydrogen 2.767 N/A HIS 103.A N TYR 100.A O no hydrogen 3.066 N/A ILE 104.A N GLY 101.A O no hydrogen 3.116 N/A GLY 105.A N GLU 102.A O.A no hydrogen 3.478 N/A GLY 105.A N GLU 102.A O.B no hydrogen 3.405 N/A LEU 106.A N GLY 101.A O no hydrogen 3.001 N/A ARG 107.A N.A ASN 186.A OD1 no hydrogen 3.104 N/A ARG 107.A N.B ASN 186.A OD1 no hydrogen 3.143 N/A ARG 108.A NE GLU 102.A OE1.B no hydrogen 3.427 N/A ARG 108.A NE GLU 102.A OE2.B no hydrogen 3.047 N/A ARG 108.A NH2 GLU 102.A OE1.B no hydrogen 2.910 N/A PHE 110.A N ARG 107.A O.A no hydrogen 3.094 N/A PHE 110.A N ARG 107.A O.B no hydrogen 3.134 N/A VAL 111.A N ASN 186.A O no hydrogen 3.190 N/A TYR 113.A N ILE 188.A O no hydrogen 2.808 N/A ASP 114.A N ASP 117.A OD2 no hydrogen 2.514 N/A ASP 117.A N ASP 114.A OD1 no hydrogen 2.982 N/A GLN 118.A N ASP 114.A O no hydrogen 2.973 N/A LEU 119.A N ASP 115.A O no hydrogen 3.290 N/A LEU 119.A N ASP 116.A O no hydrogen 3.130 N/A ASP 120.A N ASP 116.A O no hydrogen 3.171 N/A ILE 121.A N ASP 117.A O no hydrogen 3.293 N/A ILE 122.A N GLN 118.A O no hydrogen 2.776 N/A LYS 123.A N LEU 119.A O no hydrogen 2.947 N/A GLU 124.A N ASP 120.A O no hydrogen 3.257 N/A VAL 125.A N ILE 122.A O no hydrogen 2.812 N/A MET 126.A N ILE 122.A O no hydrogen 2.851 N/A ILE 129.A N MET 126.A O no hydrogen 3.245 N/A THR 133.A OG1 GLU 132.A OE2 no hydrogen 3.278 N/A VAL 137.A N GLN 134.A O no hydrogen 2.773 N/A ARG 139.A N PRO 135.A O no hydrogen 3.081 N/A ARG 139.A NH1 ASP 115.A O no hydrogen 3.036 N/A GLY 140.A N ARG 136.A O no hydrogen 3.184 N/A GLY 140.A N VAL 137.A O no hydrogen 3.066 N/A ILE 141.A N VAL 137.A O no hydrogen 3.245 N/A ILE 141.A N ILE 138.A O no hydrogen 2.862 N/A ILE 142.A N ILE 138.A O no hydrogen 3.075 N/A ASP 143.A N ARG 139.A O no hydrogen 3.141 N/A ARG 144.A N GLY 140.A O no hydrogen 3.255 N/A ALA 145.A N ILE 141.A O no hydrogen 2.706 N/A LYS 146.A N ILE 142.A O no hydrogen 2.925 N/A LYS 146.A NZ GLU 179.A OE2 no hydrogen 2.787 N/A LYS 146.A NZ ASP 189.A OD1 no hydrogen 3.170 N/A LYS 146.A NZ ASP 189.A OD2 no hydrogen 2.776 N/A LYS 146.A NZ ASP 192.A OD1 no hydrogen 2.658 N/A LYS 146.A NZ ASP 192.A OD2 no hydrogen 3.198 N/A SER 147.A N ASP 143.A O no hydrogen 2.932 N/A SER 147.A OG ASP 143.A O no hydrogen 3.130 N/A ASN 148.A N ARG 144.A O no hydrogen 2.922 N/A LEU 149.A N LYS 146.A O no hydrogen 2.710 N/A TRP 150.A N ALA 145.A O no hydrogen 2.827 N/A THR 151.A N ASP 154.A OD2 no hydrogen 2.866 N/A ASP 154.A N THR 151.A OG1 no hydrogen 3.040 N/A LEU 155.A N THR 151.A O no hydrogen 2.922 N/A ASP 156.A N PRO 152.A O no hydrogen 3.013 N/A ARG 157.A N ASP 154.A O no hydrogen 2.903 N/A SER 158.A N LEU 155.A O no hydrogen 3.032 N/A SER 158.A OG LEU 155.A O no hydrogen 2.892 N/A ILE 163.A N LEU 166.A O no hydrogen 2.882 N/A LEU 166.A N ILE 163.A O no hydrogen 2.662 N/A ARG 168.A N PRO 161.A O no hydrogen 2.951 N/A ARG 168.A NH1 SER 158.A O no hydrogen 2.746 N/A ALA 171.A N PRO 167.A O no hydrogen 3.132 N/A ALA 172.A N ARG 168.A O no hydrogen 3.116 N/A GLU 173.A N ASP 169.A O no hydrogen 2.974 N/A ALA 174.A N ALA 170.A O no hydrogen 2.877 N/A TYR 175.A N ALA 171.A O no hydrogen 3.156 N/A TYR 175.A OH TRP 150.A O no hydrogen 2.576 N/A ARG 176.A N ALA 172.A O no hydrogen 2.876 N/A ARG 176.A NH1 GLU 173.A OE1 no hydrogen 2.915 N/A ARG 176.A NH2 ASP 153.A OD1 no hydrogen 2.826 N/A ARG 176.A NH2 ASP 156.A OD2 no hydrogen 2.956 N/A ARG 177.A N GLU 173.A O no hydrogen 2.832 N/A ARG 177.A NH1 GLU 173.A OE2 no hydrogen 3.312 N/A TYR 178.A N ALA 174.A O no hydrogen 2.763 N/A TYR 178.A OH ASP 189.A OD2 no hydrogen 2.587 N/A GLU 179.A N TYR 175.A O no hydrogen 2.936 N/A VAL 180.A N ARG 176.A O no hydrogen 3.329 N/A ARG 181.A N ARG 177.A O no hydrogen 3.207 N/A LYS 182.A N TYR 178.A O no hydrogen 2.871 N/A LYS 182.A NZ GLU 179.A OE1 no hydrogen 2.902 N/A LYS 183.A N GLU 179.A O no hydrogen 3.054 N/A LYS 183.A NZ GLU 196.A OE2 no hydrogen 3.229 N/A GLY 184.A N VAL 180.A O no hydrogen 2.821 N/A GLN 185.A N LYS 182.A O no hydrogen 3.300 N/A ASN 186.A N LYS 183.A O no hydrogen 3.057 N/A ASN 186.A ND2 ARG 107.A O.A no hydrogen 3.073 N/A ASN 186.A ND2 ARG 107.A O.B no hydrogen 3.055 N/A ALA 187.A N LYS 182.A O no hydrogen 3.097 N/A ILE 188.A N VAL 111.A O no hydrogen 3.063 N/A ASP 189.A N ASP 192.A OD2 no hydrogen 2.820 N/A ASP 192.A N ASP 189.A OD1 no hydrogen 2.773 N/A LEU 193.A N PHE 190.A O no hydrogen 3.031 N/A ILE 194.A N GLY 191.A O no hydrogen 2.913 N/A THR 195.A N GLY 191.A O no hydrogen 2.959 N/A GLU 196.A N ASP 192.A O no hydrogen 2.803 N/A THR 197.A OG1 LEU 193.A O no hydrogen 2.754 N/A VAL 198.A N ILE 194.A O no hydrogen 3.020 N/A ARG 199.A N THR 195.A O no hydrogen 2.989 N/A ARG 199.A NE GLU 203.A OE2 no hydrogen 2.957 N/A ARG 199.A NH1 GLU 196.A OE1 no hydrogen 2.916 N/A ARG 199.A NH2 ILE 104.A O no hydrogen 3.109 N/A LEU 200.A N GLU 196.A O no hydrogen 2.616 N/A PHE 201.A N THR 197.A O no hydrogen 2.875 N/A LYS 202.A N VAL 198.A O no hydrogen 3.079 N/A LYS 202.A N ARG 199.A O no hydrogen 3.099 N/A LYS 202.A NZ GLU 232.A OE2 no hydrogen 3.229 N/A GLU 203.A N ARG 199.A O no hydrogen 2.925 N/A VAL 204.A N LEU 200.A O no hydrogen 2.852 N/A LEU 208.A N VAL 204.A O no hydrogen 3.340 N/A ASP 209.A N PRO 205.A O no hydrogen 3.060 N/A LYS 210.A N GLY 206.A O no hydrogen 3.067 N/A VAL 211.A N VAL 207.A O no hydrogen 3.022 N/A GLN 212.A N LEU 208.A O no hydrogen 2.790 N/A GLN 212.A NE2 LEU 236.A O no hydrogen 3.011 N/A GLN 212.A NE2 LEU 237.A O no hydrogen 3.160 N/A GLN 212.A NE2 SER 239.A OG no hydrogen 3.242 N/A ASN 213.A N LYS 210.A O no hydrogen 3.163 N/A ASN 213.A ND2 LYS 210.A O no hydrogen 3.579 N/A LYS 214.A N VAL 211.A O no hydrogen 2.864 N/A LYS 214.A NZ GLY 55.A O no hydrogen 3.095 N/A ALA 215.A N VAL 211.A O no hydrogen 2.971 N/A LYS 216.A N GLU 56.A O no hydrogen 3.013 N/A PHE 217.A N GLU 56.A O no hydrogen 3.228 N/A ILE 218.A N ASN 243.A O no hydrogen 2.846 N/A HIS 219.A N LEU 58.A O no hydrogen 2.846 N/A HIS 219.A ND1 LEU 58.A O no hydrogen 3.104 N/A VAL 220.A N LEU 245.A O no hydrogen 3.012 N/A ASP 221.A N VAL 60.A O no hydrogen 2.955 N/A GLU 222.A N ASP 221.A OD1 no hydrogen 2.724 N/A TYR 223.A N VAL 247.A O no hydrogen 2.827 N/A GLN 224.A N GLN 224.A OE1 no hydrogen 2.858 N/A GLN 224.A NE2 GLU 222.A OE1 no hydrogen 2.822 N/A GLN 224.A NE2 GLN 252.A O no hydrogen 3.569 N/A ASP 225.A N GLU 222.A O no hydrogen 2.972 N/A THR 226.A N TYR 223.A O no hydrogen 3.499 N/A THR 226.A OG1 TYR 223.A O no hydrogen 2.948 N/A THR 226.A OG1 ASN 264.A OD1 no hydrogen 2.969 N/A ARG 228.A NH1.B ASN 148.A O no hydrogen 2.431 N/A ARG 228.A NH1.B LEU 149.A O no hydrogen 3.171 N/A ALA 229.A N SER 147.A O no hydrogen 3.165 N/A GLN 230.A N ASN 227.A OD1 no hydrogen 2.770 N/A TYR 231.A N ASN 227.A O no hydrogen 2.918 N/A GLU 232.A N ARG 228.A O.A no hydrogen 2.892 N/A GLU 232.A N ARG 228.A O.B no hydrogen 3.021 N/A LEU 233.A N ALA 229.A O no hydrogen 2.869 N/A THR 234.A N GLN 230.A O no hydrogen 3.118 N/A THR 234.A OG1 GLN 230.A O no hydrogen 2.635 N/A ARG 235.A N TYR 231.A O no hydrogen 3.185 N/A ARG 235.A NE GLU 232.A OE1 no hydrogen 2.919 N/A ARG 235.A NH2 GLU 232.A OE2 no hydrogen 2.291 N/A LEU 236.A N GLU 232.A O no hydrogen 3.117 N/A LEU 237.A N LEU 233.A O no hydrogen 3.116 N/A ALA 238.A N THR 234.A O no hydrogen 3.019 N/A SER 239.A N LEU 236.A O no hydrogen 3.181 N/A SER 239.A OG LEU 236.A O no hydrogen 2.554 N/A ARG 240.A NE ASP 209.A OD2 no hydrogen 3.474 N/A ARG 240.A NH1 ASN 213.A OD1 no hydrogen 3.273 N/A ARG 240.A NH1 ASP 241.A OD2 no hydrogen 3.254 N/A ARG 240.A NH2 ASP 209.A OD1 no hydrogen 3.018 N/A ARG 240.A NH2 ASN 213.A OD1 no hydrogen 2.918 N/A ARG 242.A N ALA 238.A O no hydrogen 2.741 N/A ARG 242.A NH2 ASP 274.A OD1 no hydrogen 2.446 N/A ASN 243.A ND2 LYS 216.A O no hydrogen 3.178 N/A LEU 245.A N ILE 218.A O no hydrogen 2.964 N/A VAL 246.A N ALA 25.A O no hydrogen 3.065 N/A VAL 247.A N VAL 220.A O no hydrogen 2.813 N/A GLY 248.A N VAL 27.A O no hydrogen 3.449 N/A ASP 249.A N GLN 224.A OE1 no hydrogen 3.009 N/A ASP 251.A N ASP 249.A OD1 no hydrogen 2.863 N/A GLN 252.A N ASP 249.A O no hydrogen 2.753 N/A GLN 252.A NE2 ASP 249.A OD2 no hydrogen 2.824 N/A SER 253.A N PRO 250.A O no hydrogen 3.182 N/A SER 253.A OG ASP 225.A OD1 no hydrogen 2.965 N/A ILE 254.A N ASP 225.A OD2 no hydrogen 3.078 N/A TYR 255.A N ASP 225.A OD1 no hydrogen 2.966 N/A LYS 256.A N GLU 600.A OE2 no hydrogen 2.887 N/A LYS 256.A NZ SER 596.A O no hydrogen 3.099 N/A ARG 258.A N TYR 255.A O no hydrogen 2.937 N/A GLY 259.A N LYS 256.A O no hydrogen 2.807 N/A ALA 260.A N TYR 255.A O no hydrogen 3.119 N/A ASP 261.A N THR 226.A O no hydrogen 2.827 N/A GLN 263.A N ASP 261.A OD1 no hydrogen 3.057 N/A ASN 264.A N ASP 261.A O no hydrogen 3.184 N/A LEU 266.A N ILE 262.A O no hydrogen 3.282 N/A ASP 267.A N GLN 263.A O no hydrogen 2.800 N/A ASP 271.A N ASP 267.A O no hydrogen 2.869 N/A TYR 272.A N PHE 268.A O no hydrogen 2.690 N/A ALA 275.A N TYR 272.A O no hydrogen 2.997 N/A LYS 276.A N PRO 24.A O no hydrogen 2.981 N/A TYR 278.A N LEU 26.A O no hydrogen 2.893 N/A TYR 278.A OH HIS 20.A ND1 no hydrogen 2.871 N/A ASN 283.A N LYS 310.A O no hydrogen 3.219 N/A ASN 283.A ND2 ALA 31.A O no hydrogen 2.903 N/A TYR 284.A N GLY 32.A O no hydrogen 2.842 N/A ARG 285.A N ASN 283.A OD1 no hydrogen 2.789 N/A ARG 285.A NE GLU 571.A OE1 no hydrogen 3.053 N/A ARG 285.A NH1 THR 610.A O no hydrogen 2.885 N/A SER 286.A N ASN 283.A OD1 no hydrogen 2.946 N/A SER 286.A OG ALA 612.A O no hydrogen 2.397 N/A SER 287.A N MET 613.A O no hydrogen 3.082 N/A ALA 288.A N GLU 314.A O no hydrogen 3.068 N/A VAL 290.A N SER 287.A OG no hydrogen 3.309 N/A LEU 291.A N SER 287.A O no hydrogen 3.020 N/A GLU 292.A N ALA 288.A O no hydrogen 3.125 N/A ALA 293.A N ARG 289.A O no hydrogen 3.259 N/A ALA 294.A N VAL 290.A O no hydrogen 2.957 N/A ASN 295.A N LEU 291.A O no hydrogen 3.045 N/A LYS 296.A N GLU 292.A O no hydrogen 3.210 N/A LEU 297.A N ALA 293.A O no hydrogen 3.012 N/A ILE 298.A N ALA 294.A O no hydrogen 2.977 N/A GLU 299.A N ASN 295.A O no hydrogen 3.121 N/A ASN 300.A N LEU 297.A O no hydrogen 3.172 N/A ASN 301.A N ILE 298.A O no hydrogen 3.126 N/A ASN 301.A ND2 GLU 599.A O no hydrogen 3.153 N/A ARG 304.A NH1 ASP 251.A OD1 no hydrogen 3.223 N/A LYS 307.A NZ ASP 249.A OD1 no hydrogen 2.856 N/A LYS 307.A NZ ASP 251.A OD2 no hydrogen 3.157 N/A LYS 310.A N GLU 281.A O no hydrogen 2.788 N/A LYS 313.A NZ ARG 285.A O no hydrogen 3.286 N/A LYS 313.A NZ MET 613.A O no hydrogen 3.358 N/A LYS 313.A NZ GLU 614.A OE2 no hydrogen 2.966 N/A THR 320.A N LEU 616.A O no hydrogen 3.291 N/A PHE 321.A N ASP 647.A O no hydrogen 2.997 N/A HIS 322.A N MET 618.A O no hydrogen 2.910 N/A HIS 322.A ND1 VAL 649.A O no hydrogen 2.832 N/A ARG 323.A NE ASP 635.A OD1 no hydrogen 3.114 N/A ARG 323.A NH2 ASP 635.A OD2 no hydrogen 2.904 N/A ALA 324.A N ALA 620.A O no hydrogen 3.018 N/A ARG 328.A NH2 ASP 332.A OD1 no hydrogen 3.448 N/A GLU 330.A N ASP 326.A O no hydrogen 3.104 N/A GLY 331.A N HIS 327.A O no hydrogen 2.699 N/A ASP 332.A N ARG 328.A O no hydrogen 3.002 N/A TYR 333.A N ALA 329.A O no hydrogen 2.664 N/A VAL 334.A N GLU 330.A O no hydrogen 2.842 N/A ALA 335.A N GLY 331.A O no hydrogen 2.721 N/A ASP 336.A N ASP 332.A O no hydrogen 2.546 N/A TRP 337.A N TYR 333.A O no hydrogen 3.132 N/A TRP 337.A N VAL 334.A O no hydrogen 3.137 N/A TRP 337.A NE1 PRO 651.A O no hydrogen 3.123 N/A LEU 338.A N VAL 334.A O no hydrogen 3.017 N/A THR 339.A OG1 ALA 335.A O no hydrogen 3.349 N/A ARG 340.A N ASP 336.A O no hydrogen 3.483 N/A ARG 340.A NH1 ASP 336.A OD1 no hydrogen 2.298 N/A ARG 340.A NH2 ASP 336.A OD1 no hydrogen 2.726 N/A LEU 341.A N TRP 337.A O no hydrogen 3.436 N/A HIS 342.A N LEU 338.A O no hydrogen 2.961 N/A GLY 343.A N THR 339.A O no hydrogen 2.703 N/A GLU 344.A N ARG 340.A O no hydrogen 2.932 N/A GLY 345.A N HIS 342.A O no hydrogen 2.809 N/A ARG 346.A N LEU 341.A O no hydrogen 3.284 N/A ARG 346.A NH1.A GLU 350.A OE1 no hydrogen 2.684 N/A GLU 350.A N ALA 347.A O no hydrogen 3.129 N/A MET 351.A N TRP 348.A O no hydrogen 3.300 N/A ALA 352.A N VAL 574.A O no hydrogen 2.836 N/A ILE 353.A N THR 560.A O no hydrogen 2.810 N/A LEU 354.A N PHE 576.A O no hydrogen 2.705 N/A TYR 355.A N MET 562.A O no hydrogen 3.289 N/A ARG 356.A NE GLU 601.A OE1 no hydrogen 2.920 N/A ARG 356.A NH1 ARG 356.A O no hydrogen 3.024 N/A ARG 356.A NH2 GLU 601.A OE1 no hydrogen 3.493 N/A ARG 356.A NH2 GLU 601.A OE2 no hydrogen 2.842 N/A THR 357.A N GLN 360.A OE1 no hydrogen 2.968 N/A THR 357.A OG1 GLN 360.A OE1 no hydrogen 2.319 N/A GLN 360.A N THR 357.A O no hydrogen 3.324 N/A SER 361.A N ASN 358.A O no hydrogen 2.939 N/A SER 361.A OG ASN 358.A O no hydrogen 3.401 N/A SER 361.A OG GLU 365.A OE2 no hydrogen 2.776 N/A ARG 362.A N ALA 359.A O no hydrogen 3.461 N/A GLU 365.A N SER 361.A O no hydrogen 2.916 N/A GLU 366.A N ARG 362.A O no hydrogen 3.344 N/A SER 367.A N VAL 363.A O no hydrogen 3.284 N/A SER 367.A OG VAL 363.A O no hydrogen 3.057 N/A LEU 368.A N ILE 364.A O no hydrogen 3.186 N/A LEU 368.A N GLU 365.A O no hydrogen 3.012 N/A ARG 369.A N GLU 365.A O no hydrogen 2.866 N/A ARG 370.A N GLU 366.A O no hydrogen 2.837 N/A GLN 372.A N ARG 369.A O no hydrogen 2.563 N/A ILE 373.A N LEU 368.A O no hydrogen 2.600 N/A ARG 376.A N VAL 559.A O no hydrogen 2.678 N/A ILE 377.A N ASN 551.A OD1 no hydrogen 2.578 N/A VAL 378.A N LEU 561.A O no hydrogen 2.754 N/A PHE 383.A N GLU 550.A OE2 no hydrogen 2.958 N/A ASP 385.A N GLY 382.A O no hydrogen 3.189 N/A ARG 386.A N PHE 383.A O no hydrogen 3.380 N/A ARG 390.A N ARG 386.A O no hydrogen 3.198 N/A ARG 390.A NH1 ASP 116.A OD2 no hydrogen 2.702 N/A ARG 390.A NH2 ASP 115.A OD1 no hydrogen 3.106 N/A ASP 391.A N ARG 387.A O no hydrogen 2.796 N/A ILE 392.A N GLU 388.A O no hydrogen 3.118 N/A LEU 393.A N ILE 389.A O no hydrogen 2.742 N/A ALA 394.A N ARG 390.A O no hydrogen 2.717 N/A TYR 395.A N ASP 391.A O no hydrogen 3.068 N/A TYR 395.A OH ARG 414.A O no hydrogen 2.267 N/A ALA 396.A N ILE 392.A O no hydrogen 2.978 N/A ARG 397.A N LEU 393.A O no hydrogen 2.770 N/A LEU 398.A N ALA 394.A O no hydrogen 2.863 N/A ALA 399.A N TYR 395.A O no hydrogen 2.937 N/A LEU 400.A N ALA 396.A O no hydrogen 3.183 N/A ASN 401.A N.A ARG 397.A O no hydrogen 2.774 N/A ASN 401.A N.B ARG 397.A O no hydrogen 2.760 N/A ALA 403.A N ASN 401.A OD1.B no hydrogen 2.762 N/A ASP 404.A N ASN 401.A O.A no hydrogen 2.950 N/A ASP 404.A N ASN 401.A O.B no hydrogen 3.256 N/A ASP 405.A N GLN 185.A OE1 no hydrogen 2.952 N/A LEU 408.A N ASP 404.A O no hydrogen 3.169 N/A ARG 409.A N ASP 405.A O no hydrogen 2.707 N/A ARG 409.A NE ASP 120.A OD1 no hydrogen 2.907 N/A ARG 409.A NE ASP 120.A OD2 no hydrogen 3.126 N/A ARG 409.A NH2 ASP 120.A OD1 no hydrogen 2.602 N/A ARG 410.A N VAL 406.A O no hydrogen 3.128 N/A ARG 410.A N ALA 407.A O no hydrogen 3.124 N/A ARG 410.A NE ASP 391.A OD1 no hydrogen 2.830 N/A ARG 410.A NH1 ASP 116.A OD2 no hydrogen 3.322 N/A ILE 411.A N ALA 407.A O no hydrogen 3.340 N/A ILE 411.A N LEU 408.A O no hydrogen 3.074 N/A ILE 412.A N LEU 408.A O no hydrogen 2.909 N/A ARG 414.A N ILE 411.A O no hydrogen 3.016 N/A ARG 417.A NH1 TYR 395.A OH no hydrogen 3.397 N/A LEU 424.A N GLY 420.A O no hydrogen 2.275 N/A LYS 426.A N THR 422.A O no hydrogen 3.052 N/A LYS 426.A NZ ILE 450.A O no hydrogen 3.345 N/A LEU 427.A N ALA 423.A O no hydrogen 2.427 N/A MET 428.A N LEU 424.A O no hydrogen 2.505 N/A GLU 429.A N GLN 425.A O no hydrogen 3.096 N/A TRP 430.A N LYS 426.A O no hydrogen 3.372 N/A ALA 431.A N LEU 427.A O no hydrogen 3.163 N/A ARG 432.A N MET 428.A O no hydrogen 3.047 N/A THR 433.A N GLU 429.A O no hydrogen 3.252 N/A THR 433.A OG1 TRP 430.A O no hydrogen 3.469 N/A THR 433.A OG1 HIS 434.A ND1 no hydrogen 2.918 N/A HIS 434.A N TRP 430.A O no hydrogen 3.233 N/A HIS 434.A ND1 TRP 430.A O no hydrogen 2.884 N/A HIS 435.A N ALA 431.A O no hydrogen 2.514 N/A SER 437.A OG THR 440.A OG1 no hydrogen 2.959 N/A THR 440.A OG1 SER 437.A O no hydrogen 2.539 N/A THR 440.A OG1 SER 437.A OG no hydrogen 2.959 N/A ALA 441.A N SER 437.A O no hydrogen 3.410 N/A CYS 442.A N VAL 438.A O no hydrogen 3.425 N/A CYS 442.A SG VAL 438.A O no hydrogen 3.828 N/A ALA 443.A N LEU 439.A O no hydrogen 3.309 N/A ASN 444.A N THR 440.A O no hydrogen 2.645 N/A THR 459.A N ALA 455.A O no hydrogen 3.479 N/A THR 459.A OG1 HIS 456.A O no hydrogen 2.734 N/A GLU 460.A N HIS 456.A O no hydrogen 2.905 N/A PHE 461.A N LYS 457.A O no hydrogen 3.293 N/A ALA 462.A N ALA 458.A O no hydrogen 2.937 N/A GLY 463.A N THR 459.A O no hydrogen 2.887 N/A LEU 464.A N GLU 460.A O no hydrogen 2.741 N/A MET 465.A N PHE 461.A O no hydrogen 2.869 N/A GLU 466.A N ALA 462.A O no hydrogen 3.188 N/A ALA 467.A N GLY 463.A O no hydrogen 3.289 N/A MET 468.A N LEU 464.A O no hydrogen 3.354 N/A SER 469.A N MET 465.A O no hydrogen 2.813 N/A SER 469.A OG ALA 399.A O no hydrogen 2.808 N/A SER 469.A OG MET 465.A O no hydrogen 3.172 N/A GLU 470.A N GLU 466.A O no hydrogen 2.593 N/A ALA 471.A N ALA 467.A O no hydrogen 2.992 N/A ALA 472.A N SER 469.A O no hydrogen 2.991 N/A ASP 473.A N SER 469.A O no hydrogen 2.741 N/A ASN 474.A ND2 ASP 473.A O no hydrogen 2.157 N/A PHE 480.A N GLU 476.A O no hydrogen 2.492 N/A LEU 481.A N PRO 477.A O no hydrogen 2.721 N/A PHE 483.A N ALA 479.A O no hydrogen 3.003 N/A VAL 484.A N PHE 480.A O no hydrogen 2.970 N/A MET 485.A N LEU 481.A O no hydrogen 3.051 N/A GLU 486.A N ARG 482.A O no hydrogen 2.864 N/A THR 487.A N PHE 483.A O no hydrogen 2.923 N/A THR 487.A OG1 PHE 483.A O no hydrogen 3.306 N/A SER 488.A N VAL 484.A O no hydrogen 2.992 N/A SER 488.A OG VAL 484.A O no hydrogen 2.843 N/A SER 488.A OG MET 485.A O no hydrogen 3.431 N/A GLY 489.A N GLU 486.A O no hydrogen 3.062 N/A TYR 490.A N SER 488.A OG no hydrogen 3.102 N/A TYR 490.A OH ASP 391.A OD2 no hydrogen 2.290 N/A LEU 491.A N MET 485.A O no hydrogen 3.462 N/A LEU 494.A N TYR 490.A O no hydrogen 3.389 N/A ARG 495.A N LEU 491.A O no hydrogen 2.904 N/A GLN 496.A N ASP 492.A O no hydrogen 3.167 N/A GLU 497.A N LEU 493.A O no hydrogen 2.742 N/A GLY 498.A N ARG 495.A O no hydrogen 3.118 N/A ARG 504.A N GLU 500.A O no hydrogen 3.106 N/A LEU 505.A N GLY 501.A O no hydrogen 2.728 N/A GLU 506.A N GLN 502.A O no hydrogen 3.020 N/A ASN 507.A N VAL 503.A O no hydrogen 3.435 N/A ASN 507.A ND2 GLU 388.A OE1 no hydrogen 3.276 N/A LEU 508.A N ARG 504.A O no hydrogen 3.270 N/A GLU 509.A N LEU 505.A O no hydrogen 3.135 N/A GLU 509.A N GLU 506.A O no hydrogen 3.217 N/A GLU 510.A N GLU 506.A O no hydrogen 3.322 N/A LEU 511.A N ASN 507.A O no hydrogen 3.234 N/A SER 513.A N GLU 509.A O no hydrogen 3.161 N/A SER 513.A OG GLU 509.A O no hydrogen 3.329 N/A ALA 514.A N GLU 510.A O no hydrogen 2.697 N/A ALA 515.A N LEU 511.A O no hydrogen 2.707 N/A GLU 516.A N VAL 512.A O no hydrogen 2.689 N/A GLU 517.A N SER 513.A O no hydrogen 2.833 N/A TRP 518.A N ALA 514.A O no hydrogen 2.865 N/A TRP 518.A NE1 ASP 535.A OD2 no hydrogen 2.995 N/A SER 519.A N ALA 515.A O no hydrogen 3.228 N/A SER 519.A OG ALA 515.A O no hydrogen 3.305 N/A GLN 520.A N GLU 516.A O no hydrogen 2.917 N/A ASP 521.A N TRP 518.A O no hydrogen 3.236 N/A ALA 523.A N ASP 521.A OD1 no hydrogen 3.109 N/A ASN 524.A ND2 TRP 518.A O no hydrogen 2.594 N/A SER 528.A N ASP 531.A OD2 no hydrogen 2.715 N/A ALA 530.A N SER 528.A OG no hydrogen 3.009 N/A ASP 531.A N SER 528.A O no hydrogen 3.158 N/A PHE 532.A N SER 528.A O no hydrogen 3.300 N/A LEU 533.A N ILE 529.A O no hydrogen 3.253 N/A ASP 534.A N ALA 530.A O no hydrogen 3.009 N/A ASP 535.A N ASP 531.A O no hydrogen 3.067 N/A ALA 536.A N PHE 532.A O no hydrogen 2.993 N/A ALA 537.A N LEU 533.A O no hydrogen 2.995 N/A LEU 538.A N ASP 535.A O no hydrogen 3.122 N/A SER 540.A N ASP 543.A OD2 no hydrogen 2.752 N/A ASP 543.A N SER 540.A O no hydrogen 2.958 N/A ARG 546.A N ASP 543.A O no hydrogen 3.006 N/A ARG 546.A NE GLU 550.A OE2 no hydrogen 2.595 N/A ARG 546.A NH2 GLU 550.A OE1 no hydrogen 3.370 N/A ARG 546.A NH2 GLU 550.A OE2 no hydrogen 3.250 N/A THR 547.A N ASP 543.A O no hydrogen 3.006 N/A THR 547.A OG1 ASP 543.A O no hydrogen 3.561 N/A THR 547.A OG1 ASP 544.A O no hydrogen 3.529 N/A LYS 548.A N ASP 544.A O no hydrogen 3.040 N/A GLU 550.A N ARG 546.A O no hydrogen 2.955 N/A ASN 551.A N THR 547.A O no hydrogen 2.825 N/A ASN 551.A N LYS 548.A O no hydrogen 3.229 N/A ASN 551.A ND2 ILE 377.A O no hydrogen 2.885 N/A ASN 551.A ND2 THR 547.A O no hydrogen 3.137 N/A ALA 554.A N ASN 551.A O no hydrogen 3.149 N/A VAL 559.A N PRO 374.A O no hydrogen 2.784 N/A THR 560.A N MET 351.A O no hydrogen 3.312 N/A LEU 561.A N ARG 376.A O no hydrogen 2.899 N/A MET 562.A N ILE 353.A O no hydrogen 3.294 N/A LEU 564.A N TYR 355.A O no hydrogen 3.026 N/A HIS 565.A NE2 ILE 254.A O no hydrogen 3.000 N/A ASN 566.A N THR 563.A OG1 no hydrogen 2.977 N/A ALA 567.A N LEU 564.A O no hydrogen 2.905 N/A LYS 568.A N HIS 565.A O no hydrogen 3.017 N/A LYS 568.A NZ GLU 222.A OE1 no hydrogen 3.386 N/A LYS 568.A NZ ASP 225.A OD2 no hydrogen 2.633 N/A LEU 570.A N ALA 567.A O no hydrogen 2.833 N/A PHE 572.A N ARG 611.A O no hydrogen 3.016 N/A VAL 574.A N GLU 350.A O no hydrogen 3.000 N/A VAL 575.A N ARG 615.A O no hydrogen 2.970 N/A PHE 576.A N ALA 352.A O no hydrogen 2.762 N/A ILE 577.A N LEU 617.A O no hydrogen 3.063 N/A VAL 578.A N LEU 354.A O no hydrogen 2.977 N/A GLY 579.A N GLU 330.A OE2 no hydrogen 3.073 N/A VAL 580.A N THR 619.A O no hydrogen 2.984 N/A GLU 581.A N GLY 579.A O no hydrogen 2.807 N/A GLN 582.A N GLU 634.A O no hydrogen 3.180 N/A GLY 583.A N PRO 586.A O no hydrogen 2.834 N/A LEU 584.A N GLU 581.A O no hydrogen 2.686 N/A LEU 585.A N GLU 581.A O no hydrogen 2.873 N/A SER 587.A N GLU 601.A OE1 no hydrogen 3.234 N/A LYS 588.A N GLY 583.A O no hydrogen 3.190 N/A ALA 590.A N SER 587.A OG no hydrogen 3.128 N/A ILE 591.A N SER 587.A O no hydrogen 2.923 N/A ALA 592.A N LYS 588.A O no hydrogen 2.871 N/A GLU 593.A N GLY 589.A O no hydrogen 3.137 N/A GLU 593.A N ALA 590.A O no hydrogen 2.991 N/A GLY 594.A N ILE 591.A O no hydrogen 3.108 N/A GLY 597.A N GLY 594.A O no hydrogen 2.793 N/A ILE 598.A N GLY 594.A O no hydrogen 3.070 N/A GLU 599.A N PRO 595.A O no hydrogen 2.859 N/A GLU 601.A N GLY 597.A O no hydrogen 3.247 N/A ARG 602.A N ILE 598.A O no hydrogen 2.935 N/A ARG 602.A NE ASP 641.A OD2 no hydrogen 3.178 N/A ARG 602.A NH1 ASN 301.A OD1 no hydrogen 2.679 N/A ARG 602.A NH2 ASP 641.A OD2 no hydrogen 2.878 N/A ARG 603.A N GLU 599.A O no hydrogen 3.168 N/A ARG 603.A NH1 SER 253.A O no hydrogen 3.415 N/A LEU 604.A N GLU 600.A O no hydrogen 2.998 N/A PHE 605.A N GLU 601.A O no hydrogen 2.819 N/A TYR 606.A N ARG 602.A O no hydrogen 2.733 N/A VAL 607.A N ARG 603.A O no hydrogen 2.874 N/A GLY 608.A N LEU 604.A O no hydrogen 3.087 N/A ILE 609.A N PHE 605.A O no hydrogen 2.999 N/A THR 610.A N TYR 606.A O no hydrogen 3.144 N/A THR 610.A OG1 TYR 606.A O no hydrogen 2.661 N/A THR 610.A OG1 VAL 607.A O no hydrogen 2.996 N/A ARG 611.A N GLY 608.A O no hydrogen 3.108 N/A ARG 611.A NE VAL 607.A O no hydrogen 2.729 N/A ARG 611.A NH1 LEU 570.A O no hydrogen 2.859 N/A ARG 611.A NH2 THR 610.A OG1 no hydrogen 3.150 N/A ALA 612.A N ILE 609.A O no hydrogen 3.117 N/A MET 613.A N PHE 572.A O no hydrogen 2.889 N/A GLU 614.A N PRO 573.A O no hydrogen 2.709 N/A ARG 615.A N PRO 573.A O no hydrogen 2.873 N/A ARG 615.A NH1 GLN 317.A OE1 no hydrogen 2.831 N/A LEU 617.A N VAL 575.A O no hydrogen 2.895 N/A MET 618.A N THR 320.A O no hydrogen 2.736 N/A THR 619.A N ILE 577.A O no hydrogen 2.989 N/A THR 619.A OG1 GLU 330.A OE2 no hydrogen 2.227 N/A ALA 620.A N HIS 322.A O no hydrogen 2.939 N/A ALA 621.A N GLU 581.A OE2 no hydrogen 2.858 N/A GLN 622.A N ALA 324.A O no hydrogen 3.121 N/A ASN 623.A ND2 THR 325.A O no hydrogen 3.485 N/A ARG 624.A N ASN 631.A O no hydrogen 3.000 N/A ARG 624.A NH1 GLU 581.A OE2 no hydrogen 2.433 N/A ARG 624.A NH2 GLU 330.A OE1 no hydrogen 2.422 N/A GLN 626.A N LYS 629.A O no hydrogen 3.147 N/A ASN 631.A N ARG 624.A O no hydrogen 2.855 N/A ALA 633.A N GLN 622.A O no hydrogen 2.367 N/A SER 636.A N VAL 580.A O no hydrogen 2.951 N/A SER 636.A OG LEU 585.A O no hydrogen 2.687 N/A ALA 637.A N GLN 582.A OE1 no hydrogen 3.035 N/A PHE 638.A N SER 636.A OG no hydrogen 2.961 N/A LEU 639.A N SER 636.A O no hydrogen 2.989 N/A GLU 640.A N ALA 637.A O no hydrogen 3.056 N/A ILE 642.A N LEU 639.A O no hydrogen 3.305 N/A GLU 643.A N GLU 640.A O no hydrogen 3.251 N/A LEU 645.A N ILE 642.A O no hydrogen 3.128 N/A ASP 647.A N VAL 319.A O no hydrogen 2.878 N/A THR 648.A OG1 TYR 658.A O no hydrogen 2.945 N/A ASP 650.A N GLN 654.A O no hydrogen 3.064 N/A GLN 654.A N GLN 654.A OE1 no hydrogen 2.340 N/A ILE 656.A N THR 648.A O no hydrogen 3.066 N/A