Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8j2d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG TYR 357.A OH no hydrogen 2.712 N/A LEU 5.A N ALA 2.A O no hydrogen 2.978 N/A LEU 8.A N LEU 5.A O no hydrogen 3.043 N/A HIS 9.A N SER 34.A O no hydrogen 2.961 N/A HIS 9.A ND1 TYR 101.A OH no hydrogen 2.745 N/A HIS 9.A NE2 VAL 356.A O no hydrogen 2.713 N/A LYS 12.A N HIS 9.A O no hydrogen 3.187 N/A VAL 13.A N ASP 100.A OD2 no hydrogen 2.764 N/A ALA 14.A N ARG 37.A O no hydrogen 2.895 N/A LEU 15.A N TYR 101.A O no hydrogen 2.807 N/A ILE 16.A N MET 39.A O no hydrogen 2.923 N/A THR 17.A N ILE 103.A O no hydrogen 3.145 N/A GLY 19.A N ALA 41.A O no hydrogen 3.044 N/A GLY 25.A N ALA 21.A O no hydrogen 3.097 N/A GLN 26.A N GLY 22.A O no hydrogen 3.313 N/A ILE 27.A N ILE 23.A O no hydrogen 2.863 N/A GLY 28.A N GLY 24.A O no hydrogen 2.955 N/A ARG 29.A N GLY 25.A O no hydrogen 2.935 N/A ARG 29.A NE GLU 58.A OE1 no hydrogen 2.940 N/A ARG 29.A NH1 GLN 26.A OE1 no hydrogen 2.818 N/A ARG 29.A NH2 GLU 58.A OE2 no hydrogen 2.819 N/A LEU 30.A N GLN 26.A O no hydrogen 2.964 N/A LEU 31.A N ILE 27.A O no hydrogen 2.804 N/A ALA 32.A N GLY 28.A O no hydrogen 3.028 N/A LEU 33.A N ARG 29.A O no hydrogen 3.101 N/A SER 34.A N LEU 30.A O no hydrogen 3.002 N/A SER 34.A OG LEU 30.A O no hydrogen 2.733 N/A GLY 35.A N ALA 32.A O no hydrogen 2.966 N/A ALA 36.A N LEU 31.A O no hydrogen 3.118 N/A ARG 37.A N LYS 12.A O no hydrogen 2.913 N/A VAL 38.A N ARG 70.A O no hydrogen 2.795 N/A MET 39.A N ALA 14.A O no hydrogen 2.870 N/A LEU 40.A N HIS 72.A O no hydrogen 3.074 N/A ALA 41.A N ILE 16.A O no hydrogen 2.976 N/A ALA 42.A N ALA 74.A O no hydrogen 3.426 N/A LYS 47.A N ASP 44.A OD2 no hydrogen 2.950 N/A LEU 48.A N ASP 44.A O no hydrogen 3.388 N/A GLU 49.A N ARG 45.A O no hydrogen 2.834 N/A GLN 50.A N HIS 46.A O no hydrogen 2.863 N/A MET 51.A N LYS 47.A O no hydrogen 3.017 N/A GLN 52.A N LEU 48.A O no hydrogen 2.869 N/A GLN 52.A NE2 VAL 71.A O no hydrogen 2.807 N/A ALA 53.A N GLU 49.A O no hydrogen 3.044 N/A MET 54.A N GLN 50.A O no hydrogen 3.030 N/A ILE 55.A N MET 51.A O no hydrogen 2.998 N/A GLN 56.A N GLN 52.A O no hydrogen 2.936 N/A GLN 56.A NE2 VAL 71.A O no hydrogen 3.052 N/A SER 57.A N ALA 53.A O no hydrogen 3.029 N/A GLU 58.A N MET 54.A O no hydrogen 3.184 N/A LEU 59.A N ILE 55.A O no hydrogen 2.933 N/A ALA 60.A N GLN 56.A O no hydrogen 3.061 N/A GLU 61.A N SER 57.A O no hydrogen 3.130 N/A VAL 62.A N GLU 58.A O no hydrogen 3.186 N/A GLY 63.A N ALA 60.A O no hydrogen 3.157 N/A TYR 64.A N LEU 59.A O no hydrogen 2.860 N/A TYR 64.A OH LEU 33.A O no hydrogen 2.721 N/A ASP 69.A N ASP 66.A O no hydrogen 3.260 N/A ARG 70.A N VAL 67.A O no hydrogen 3.243 N/A HIS 72.A N VAL 38.A O no hydrogen 2.954 N/A ALA 74.A N LEU 40.A O no hydrogen 2.784 N/A GLY 76.A N ARG 43.A O no hydrogen 2.756 N/A CYS 77.A N ALA 42.A O no hydrogen 2.888 N/A CYS 77.A SG GLN 84.A O no hydrogen 3.988 N/A ASP 78.A N GLN 84.A OE1 no hydrogen 2.761 N/A SER 80.A N ASP 78.A OD1 no hydrogen 3.179 N/A SER 80.A OG ASP 78.A OD1 no hydrogen 2.836 N/A SER 80.A OG ASP 78.A OD2 no hydrogen 3.327 N/A SER 80.A OG HIS 125.A NE2 no hydrogen 3.120 N/A SER 81.A N ASP 78.A O no hydrogen 3.007 N/A LEU 85.A N SER 81.A O no hydrogen 3.069 N/A ALA 86.A N GLU 82.A O no hydrogen 3.096 N/A ASP 87.A N ALA 83.A O no hydrogen 3.077 N/A LEU 88.A N GLN 84.A O no hydrogen 3.043 N/A VAL 89.A N LEU 85.A O no hydrogen 3.236 N/A GLU 90.A N ALA 86.A O no hydrogen 3.146 N/A ARG 91.A N ASP 87.A O no hydrogen 2.792 N/A ARG 91.A NE ILE 73.A O no hydrogen 2.829 N/A ARG 91.A NH2 ILE 73.A O no hydrogen 2.891 N/A THR 92.A N LEU 88.A O no hydrogen 2.812 N/A THR 92.A OG1 LEU 88.A O no hydrogen 2.684 N/A LEU 93.A N VAL 89.A O no hydrogen 2.827 N/A SER 94.A N GLU 90.A O no hydrogen 2.927 N/A ALA 95.A N ARG 91.A O no hydrogen 3.086 N/A PHE 96.A N THR 92.A O no hydrogen 2.939 N/A GLY 97.A N LEU 93.A O no hydrogen 2.848 N/A ASP 100.A N VAL 13.A O no hydrogen 2.802 N/A TYR 101.A N VAL 13.A O no hydrogen 2.874 N/A TYR 101.A OH HIS 9.A ND1 no hydrogen 2.745 N/A LEU 102.A N TYR 152.A O no hydrogen 2.803 N/A ILE 103.A N LEU 15.A O no hydrogen 2.756 N/A ASN 104.A N LEU 154.A O no hydrogen 2.856 N/A ASN 104.A ND2 ASN 134.A O no hydrogen 3.427 N/A ASN 104.A ND2 ASN 155.A OD1 no hydrogen 3.022 N/A ASN 105.A ND2 THR 17.A O no hydrogen 3.164 N/A ALA 106.A N THR 17.A OG1 no hydrogen 3.046 N/A ILE 108.A N ASN 130.A OD1 no hydrogen 2.899 N/A VAL 111.A N ASP 175.A OD2 no hydrogen 2.867 N/A VAL 115.A N GLU 574.A OE1 no hydrogen 2.876 N/A ASP 117.A N MET 114.A O no hydrogen 2.788 N/A MET 118.A N VAL 115.A O no hydrogen 3.193 N/A GLY 122.A N PRO 119.A O no hydrogen 3.013 N/A TRP 123.A N PRO 119.A O no hydrogen 3.254 N/A TRP 123.A NE1 THR 521.A OG1 no hydrogen 2.811 N/A ARG 124.A N VAL 120.A O no hydrogen 3.104 N/A ARG 124.A NE GLU 517.A OE1 no hydrogen 2.741 N/A ARG 124.A NH1 GLU 121.A OE2 no hydrogen 2.693 N/A ARG 124.A NH2 GLU 517.A OE2 no hydrogen 3.120 N/A HIS 125.A N GLU 121.A O no hydrogen 2.992 N/A THR 126.A N GLY 122.A O no hydrogen 3.081 N/A THR 126.A OG1 GLY 122.A O no hydrogen 3.187 N/A THR 126.A OG1 ASP 175.A OD2 no hydrogen 2.705 N/A LEU 127.A N TRP 123.A O no hydrogen 3.125 N/A PHE 128.A N ARG 124.A O no hydrogen 2.896 N/A ALA 129.A N HIS 125.A O no hydrogen 2.994 N/A ASN 130.A N THR 126.A O no hydrogen 2.803 N/A ASN 130.A ND2 ILE 108.A O no hydrogen 2.925 N/A ASN 130.A ND2 SER 179.A OG no hydrogen 3.195 N/A LEU 131.A N LEU 127.A O no hydrogen 2.917 N/A ILE 132.A N LEU 127.A O no hydrogen 2.832 N/A SER 133.A N PHE 128.A O no hydrogen 3.065 N/A SER 133.A OG ALA 129.A O no hydrogen 2.697 N/A ASN 134.A N LEU 131.A O no hydrogen 3.069 N/A ASN 134.A ND2 SER 133.A OG no hydrogen 2.931 N/A TYR 135.A N LEU 131.A O no hydrogen 3.461 N/A TYR 135.A OH LEU 507.A O no hydrogen 2.586 N/A SER 136.A N ILE 132.A O no hydrogen 2.868 N/A SER 136.A OG GLU 82.A OE1 no hydrogen 2.616 N/A SER 136.A OG GLU 82.A OE2 no hydrogen 3.486 N/A LEU 137.A N SER 133.A O no hydrogen 2.990 N/A MET 138.A N ASN 134.A O no hydrogen 3.170 N/A ARG 139.A N TYR 135.A O no hydrogen 2.782 N/A ARG 139.A NE LEU 507.A O no hydrogen 2.956 N/A ARG 139.A NH1 ARG 139.A O no hydrogen 3.494 N/A ARG 139.A NH2 VAL 506.A O no hydrogen 3.154 N/A LYS 140.A N SER 136.A O no hydrogen 3.298 N/A LYS 140.A NZ GLU 82.A OE2 no hydrogen 2.724 N/A LYS 140.A NZ SER 136.A O no hydrogen 3.454 N/A LYS 140.A NZ SER 136.A OG no hydrogen 2.841 N/A LYS 140.A NZ GLU 509.A OE2 no hydrogen 2.814 N/A LEU 141.A N LEU 137.A O no hydrogen 3.078 N/A ALA 142.A N MET 138.A O no hydrogen 2.723 N/A MET 145.A N LEU 141.A O no hydrogen 3.134 N/A LYS 146.A N ALA 142.A O no hydrogen 2.931 N/A LYS 146.A NZ GLY 497.A O no hydrogen 2.793 N/A LYS 147.A N PRO 143.A O no hydrogen 3.165 N/A LYS 147.A NZ LYS 499.A O no hydrogen 2.803 N/A LYS 147.A NZ SER 501.A O no hydrogen 3.052 N/A GLN 148.A N LEU 144.A O no hydrogen 3.046 N/A GLN 148.A NE2 ASP 100.A OD1 no hydrogen 3.334 N/A GLN 148.A NE2 SER 150.A O no hydrogen 2.809 N/A GLY 149.A N MET 145.A O no hydrogen 3.036 N/A GLY 149.A N LYS 146.A O no hydrogen 3.109 N/A SER 150.A N MET 145.A O no hydrogen 3.013 N/A GLY 151.A N GLU 197.A O no hydrogen 3.264 N/A TYR 152.A N ASP 100.A O no hydrogen 2.828 N/A ILE 153.A N GLN 199.A O no hydrogen 2.819 N/A LEU 154.A N LEU 102.A O no hydrogen 2.787 N/A ASN 155.A N ASN 201.A O no hydrogen 3.044 N/A ASN 155.A ND2 GLN 183.A O no hydrogen 2.896 N/A VAL 156.A N ASN 104.A O no hydrogen 2.925 N/A SER 157.A N ILE 203.A O no hydrogen 2.851 N/A SER 157.A OG LYS 180.A O no hydrogen 2.676 N/A SER 158.A N SER 157.A OG no hydrogen 2.733 N/A TYR 159.A N PRO 205.A O no hydrogen 3.030 N/A PHE 160.A N SER 158.A OG no hydrogen 3.272 N/A GLY 161.A N SER 158.A O no hydrogen 2.903 N/A GLY 162.A N TYR 159.A O no hydrogen 3.188 N/A GLU 163.A N ALA 166.A O no hydrogen 2.765 N/A LYS 164.A N GLU 163.A OE2 no hydrogen 2.910 N/A ALA 166.A N GLU 163.A O no hydrogen 3.167 N/A ALA 167.A N THR 380.A O no hydrogen 2.809 N/A TYR 170.A N THR 570.A OG1 no hydrogen 3.055 N/A ASN 172.A N GLU 574.A OE2 no hydrogen 2.710 N/A ARG 173.A N TYR 170.A O no hydrogen 3.053 N/A ARG 173.A NH2 ALA 109.A O no hydrogen 2.809 N/A ALA 177.A N ARG 173.A O no hydrogen 2.838 N/A VAL 178.A N ALA 174.A O no hydrogen 3.017 N/A SER 179.A N ASP 175.A O no hydrogen 3.110 N/A SER 179.A OG TYR 176.A O no hydrogen 2.801 N/A LYS 180.A N TYR 176.A O no hydrogen 3.060 N/A LYS 180.A NZ VAL 156.A O no hydrogen 3.114 N/A LYS 180.A NZ GLN 183.A OE1 no hydrogen 2.768 N/A ALA 181.A N ALA 177.A O no hydrogen 2.877 N/A GLY 182.A N VAL 178.A O no hydrogen 2.878 N/A GLN 183.A N SER 179.A O no hydrogen 3.122 N/A GLN 183.A NE2 ASN 134.A OD1 no hydrogen 2.781 N/A GLN 183.A NE2 VAL 156.A O no hydrogen 2.950 N/A ARG 184.A N LYS 180.A O no hydrogen 3.390 N/A ARG 184.A NE GLY 161.A O no hydrogen 3.351 N/A ARG 184.A NH1 GLU 188.A OE2 no hydrogen 2.881 N/A ARG 184.A NH2 GLY 161.A O no hydrogen 2.749 N/A ALA 185.A N ALA 181.A O no hydrogen 2.849 N/A MET 186.A N GLY 182.A O no hydrogen 2.929 N/A GLU 188.A N ARG 184.A O no hydrogen 3.007 N/A VAL 189.A N ALA 185.A O no hydrogen 2.953 N/A PHE 190.A N MET 186.A O no hydrogen 2.915 N/A ALA 191.A N ALA 187.A O no hydrogen 3.327 N/A ARG 192.A NH1 THR 551.A OG1 no hydrogen 2.684 N/A ARG 192.A NH2 THR 551.A O no hydrogen 2.774 N/A PHE 193.A N PHE 190.A O no hydrogen 3.008 N/A LEU 194.A N PHE 190.A O no hydrogen 2.812 N/A GLY 195.A N ALA 191.A O no hydrogen 2.998 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.914 N/A ILE 198.A N LEU 194.A O no hydrogen 2.938 N/A GLN 199.A N GLY 151.A O no hydrogen 2.967 N/A GLN 199.A NE2 ASP 361.A O no hydrogen 2.815 N/A GLN 199.A NE2 VAL 364.A O no hydrogen 2.789 N/A ILE 200.A N SER 365.A OG no hydrogen 2.991 N/A ASN 201.A N ILE 153.A O no hydrogen 3.065 N/A ASN 201.A ND2 TYR 152.A OH no hydrogen 2.875 N/A ASN 201.A ND2 VAL 364.A O no hydrogen 3.245 N/A ALA 202.A N GLU 367.A O no hydrogen 2.875 N/A ILE 203.A N ASN 155.A O no hydrogen 3.052 N/A ALA 204.A N PHE 369.A O no hydrogen 2.742 N/A GLY 206.A N SER 372.A OG no hydrogen 3.357 N/A GLU 209.A N PRO 346.A O no hydrogen 2.779 N/A GLU 216.A N ARG 212.A O no hydrogen 3.008 N/A ASN 217.A N LEU 213.A O no hydrogen 3.393 N/A LYS 218.A N ILE 214.A O no hydrogen 3.233 N/A LYS 218.A NZ GLU 222.A OE2 no hydrogen 2.818 N/A ARG 219.A N LEU 215.A O no hydrogen 2.886 N/A ARG 219.A NH1 SER 280.A O no hydrogen 2.819 N/A ARG 219.A NH1 LEU 284.A O no hydrogen 3.171 N/A ARG 219.A NH2 SER 280.A O no hydrogen 2.797 N/A LEU 220.A N GLU 216.A O no hydrogen 3.241 N/A ASN 221.A N ASN 217.A O no hydrogen 2.978 N/A GLU 222.A N LYS 218.A O no hydrogen 2.937 N/A LEU 223.A N ARG 219.A O no hydrogen 3.115 N/A HIS 224.A N LEU 220.A O no hydrogen 3.016 N/A ALA 225.A N ASN 221.A O no hydrogen 2.990 N/A ALA 226.A N GLU 222.A O no hydrogen 3.130 N/A LEU 227.A N LEU 223.A O no hydrogen 2.961 N/A ILE 228.A N HIS 224.A O no hydrogen 3.053 N/A ALA 229.A N ALA 225.A O no hydrogen 2.838 N/A ALA 230.A N ALA 226.A O no hydrogen 2.867 N/A ALA 231.A N LEU 227.A O no hydrogen 3.133 N/A ARG 232.A N ILE 228.A O no hydrogen 3.285 N/A ARG 232.A NH2 ALA 579.A O no hydrogen 3.354 N/A THR 233.A OG1 ALA 229.A O no hydrogen 3.497 N/A ARG 236.A N ASP 234.A OD1 no hydrogen 3.100 N/A ARG 236.A NE ASP 234.A OD1 no hydrogen 2.787 N/A ARG 236.A NH1 ALA 258.A O no hydrogen 2.859 N/A ARG 236.A NH2 ASP 234.A OD2 no hydrogen 2.957 N/A ARG 236.A NH2 ALA 258.A O no hydrogen 2.817 N/A SER 237.A OG GLU 240.A OE1 no hydrogen 3.129 N/A GLU 240.A N SER 237.A OG no hydrogen 3.386 N/A LEU 241.A N SER 237.A O no hydrogen 2.914 N/A VAL 242.A N MET 238.A O no hydrogen 2.819 N/A GLU 243.A N HIS 239.A O no hydrogen 3.024 N/A LEU 244.A N LEU 241.A O no hydrogen 3.321 N/A LEU 245.A N VAL 242.A O no hydrogen 2.877 N/A LEU 246.A N GLU 243.A O no hydrogen 3.012 N/A ASN 248.A N LEU 245.A O no hydrogen 2.936 N/A ASN 248.A ND2 LEU 285.A O no hydrogen 2.993 N/A ASN 248.A ND2 PRO 313.A O no hydrogen 3.239 N/A VAL 250.A N SER 282.A O no hydrogen 3.168 N/A ALA 252.A N ASP 249.A OD1 no hydrogen 3.417 N/A LEU 253.A N ASP 249.A O no hydrogen 3.092 N/A GLU 254.A N VAL 250.A O no hydrogen 3.034 N/A GLN 255.A N ALA 251.A O no hydrogen 3.080 N/A ASN 256.A N LEU 253.A O no hydrogen 3.403 N/A ALA 258.A N ASN 256.A OD1 no hydrogen 3.269 N/A ALA 259.A N ASN 256.A O no hydrogen 3.200 N/A LEU 263.A N PRO 260.A O no hydrogen 2.871 N/A ARG 264.A N PRO 260.A O no hydrogen 3.039 N/A ARG 264.A NE GLU 254.A O no hydrogen 2.950 N/A ARG 264.A NH2 GLU 254.A O no hydrogen 2.864 N/A GLU 265.A N THR 261.A O no hydrogen 2.857 N/A LEU 266.A N ALA 262.A O no hydrogen 3.162 N/A ALA 267.A N LEU 263.A O no hydrogen 3.215 N/A ARG 268.A N ARG 264.A O no hydrogen 3.137 N/A ARG 268.A NH2 GLU 265.A OE2 no hydrogen 3.227 N/A ARG 269.A N GLU 265.A O no hydrogen 2.917 N/A ARG 269.A NH2 GLU 273.A OE1 no hydrogen 2.841 N/A PHE 270.A N LEU 266.A O no hydrogen 2.843 N/A ARG 271.A N ALA 267.A O no hydrogen 3.097 N/A ARG 271.A NE GLU 254.A OE1 no hydrogen 2.812 N/A ARG 271.A NH1 GLU 254.A OE1 no hydrogen 3.541 N/A ARG 271.A NH1 GLU 254.A OE2 no hydrogen 2.907 N/A SER 272.A N ARG 268.A O no hydrogen 2.968 N/A SER 272.A OG ARG 268.A O no hydrogen 2.779 N/A GLU 273.A N ARG 269.A O no hydrogen 3.042 N/A SER 279.A OG SER 282.A OG no hydrogen 3.326 N/A SER 281.A N ALA 278.A O no hydrogen 3.188 N/A SER 281.A OG ASP 275.A O no hydrogen 2.852 N/A SER 282.A N SER 279.A O no hydrogen 3.279 N/A SER 282.A OG SER 279.A O no hydrogen 3.400 N/A ALA 283.A N SER 279.A O no hydrogen 2.809 N/A LEU 285.A N ASN 248.A OD1 no hydrogen 2.834 N/A ILE 289.A N ASN 286.A OD1 no hydrogen 2.779 N/A ALA 290.A N ASN 286.A O no hydrogen 2.920 N/A ALA 291.A N ARG 287.A O no hydrogen 2.910 N/A LYS 292.A N SER 288.A O no hydrogen 3.391 N/A LYS 292.A NZ GLU 113.A OE2 no hydrogen 3.158 N/A LEU 293.A N ILE 289.A O no hydrogen 2.844 N/A LEU 294.A N ALA 290.A O no hydrogen 2.895 N/A ALA 295.A N ALA 291.A O no hydrogen 2.927 N/A ARG 296.A N LYS 292.A O no hydrogen 2.966 N/A ARG 296.A NE ASP 117.A OD1 no hydrogen 2.776 N/A ARG 296.A NH1 ASN 221.A OD1 no hydrogen 2.815 N/A ARG 296.A NH1 HIS 224.A ND1 no hydrogen 3.244 N/A ARG 296.A NH2 ASP 117.A OD2 no hydrogen 2.768 N/A ARG 296.A NH2 ASN 221.A OD1 no hydrogen 2.838 N/A LEU 297.A N LEU 293.A O no hydrogen 3.022 N/A HIS 298.A N LEU 294.A O no hydrogen 2.776 N/A HIS 298.A NE2 LEU 304.A O no hydrogen 2.742 N/A ASN 299.A N ALA 295.A O no hydrogen 2.820 N/A GLY 300.A N ARG 296.A O no hydrogen 2.852 N/A GLY 301.A N HIS 298.A O no hydrogen 3.093 N/A TYR 302.A N LEU 297.A O no hydrogen 2.888 N/A ILE 308.A N PRO 305.A O no hydrogen 3.276 N/A ALA 310.A N ASP 307.A O no hydrogen 3.142 N/A ILE 325.A N THR 321.A O no hydrogen 3.345 N/A ASP 326.A N ARG 322.A O no hydrogen 3.248 N/A ARG 327.A N ALA 323.A O no hydrogen 3.040 N/A GLU 328.A N GLN 324.A O no hydrogen 3.288 N/A ALA 329.A N ILE 325.A O no hydrogen 3.024 N/A ARG 330.A N ASP 326.A O no hydrogen 2.953 N/A ARG 330.A NH1 ASP 334.A OD2 no hydrogen 3.540 N/A LYS 331.A N ARG 327.A O no hydrogen 3.027 N/A VAL 332.A N GLU 328.A O no hydrogen 2.849 N/A ARG 333.A N ALA 329.A O no hydrogen 2.809 N/A ASP 334.A N ARG 330.A O no hydrogen 3.050 N/A ILE 336.A N VAL 332.A O no hydrogen 2.852 N/A MET 337.A N ARG 333.A O no hydrogen 2.767 N/A GLY 338.A N ASP 334.A O no hydrogen 2.810 N/A MET 339.A N ILE 336.A O no hydrogen 3.137 N/A LEU 340.A N ILE 336.A O no hydrogen 3.158 N/A LEU 340.A N MET 337.A O no hydrogen 3.286 N/A TYR 341.A N GLY 374.A O no hydrogen 3.343 N/A GLN 343.A N LEU 340.A O no hydrogen 3.110 N/A THR 347.A N ASP 350.A OD2 no hydrogen 2.822 N/A ASP 350.A N THR 347.A OG1 no hydrogen 3.153 N/A VAL 351.A N THR 347.A O no hydrogen 3.251 N/A ALA 352.A N GLU 348.A O no hydrogen 3.032 N/A MET 353.A N PHE 349.A O no hydrogen 2.827 N/A ALA 354.A N ASP 350.A O no hydrogen 3.137 N/A THR 355.A N VAL 351.A O no hydrogen 2.905 N/A THR 355.A OG1 VAL 351.A O no hydrogen 2.738 N/A VAL 356.A N ALA 352.A O no hydrogen 2.811 N/A TYR 357.A N MET 353.A O no hydrogen 3.080 N/A TYR 357.A OH SER 4.A OG no hydrogen 2.712 N/A TYR 358.A N ALA 354.A O no hydrogen 3.012 N/A LEU 359.A N THR 355.A O no hydrogen 2.908 N/A ALA 360.A N TYR 357.A O no hydrogen 3.125 N/A ASP 361.A N TYR 358.A O no hydrogen 2.994 N/A ARG 362.A NH1 GLN 199.A OE1 no hydrogen 3.005 N/A ARG 362.A NH1 LEU 359.A O no hydrogen 2.746 N/A ARG 362.A NH2 LEU 359.A O no hydrogen 3.058 N/A VAL 363.A N ASP 361.A OD1 no hydrogen 2.916 N/A SER 365.A OG ILE 200.A O no hydrogen 3.486 N/A GLY 366.A N ILE 200.A O no hydrogen 2.722 N/A GLU 367.A N ASN 201.A OD1 no hydrogen 2.956 N/A PHE 369.A N ALA 202.A O no hydrogen 2.807 N/A HIS 370.A NE2 GLU 163.A OE1 no hydrogen 2.678 N/A ARG 376.A NH2 GLN 343.A OE1 no hydrogen 3.501 N/A THR 380.A N ALA 167.A O no hydrogen 2.729 N/A THR 382.A N ASP 165.A O no hydrogen 2.950 N/A THR 382.A OG1 HIS 565.A ND1 no hydrogen 3.107 N/A GLY 383.A N ALA 639.A O no hydrogen 3.361 N/A ARG 394.A N SER 391.A OG no hydrogen 3.388 N/A ARG 394.A NE PRO 621.A O no hydrogen 3.390 N/A ARG 394.A NH2 LEU 617.A O no hydrogen 3.266 N/A ARG 394.A NH2 ALA 620.A O no hydrogen 3.532 N/A LEU 395.A N SER 391.A O no hydrogen 3.136 N/A ALA 396.A N PRO 392.A O no hydrogen 2.946 N/A GLU 397.A N ARG 394.A O no hydrogen 3.262 N/A LEU 398.A N LEU 395.A O no hydrogen 3.180 N/A VAL 399.A N ALA 396.A O no hydrogen 3.279 N/A GLY 400.A N GLY 426.A O no hydrogen 2.811 N/A SER 401.A N LEU 398.A O no hydrogen 2.960 N/A SER 401.A OG LEU 398.A O no hydrogen 2.776 N/A VAL 403.A N GLN 429.A O no hydrogen 2.983 N/A TYR 404.A N PRO 481.A O no hydrogen 2.952 N/A TYR 404.A OH GLY 477.A O no hydrogen 2.683 N/A LEU 405.A N VAL 431.A O no hydrogen 2.888 N/A ILE 406.A N VAL 483.A O no hydrogen 2.773 N/A GLY 407.A N ILE 433.A O no hydrogen 2.998 N/A HIS 409.A N PHE 487.A O no hydrogen 3.070 N/A HIS 409.A ND1 PHE 487.A O no hydrogen 3.069 N/A LEU 414.A N LEU 410.A O no hydrogen 2.901 N/A ASN 415.A N THR 411.A O no hydrogen 2.978 N/A LEU 416.A N GLU 412.A O no hydrogen 2.926 N/A LEU 417.A N HIS 413.A O no hydrogen 2.927 N/A ALA 418.A N LEU 414.A O no hydrogen 2.953 N/A ARG 419.A N ASN 415.A O no hydrogen 2.954 N/A ARG 419.A NE ASN 415.A OD1 no hydrogen 2.832 N/A ARG 419.A NH1 GLU 423.A OE2 no hydrogen 2.783 N/A ARG 419.A NH1 ASP 449.A OD1 no hydrogen 3.340 N/A ARG 419.A NH1 ASP 449.A OD2 no hydrogen 3.075 N/A ARG 419.A NH2 LEU 446.A O no hydrogen 2.697 N/A ARG 419.A NH2 ASP 449.A OD1 no hydrogen 2.766 N/A ALA 420.A N LEU 416.A O no hydrogen 2.895 N/A TYR 421.A N LEU 417.A O no hydrogen 2.977 N/A TYR 421.A OH THR 619.A OG1 no hydrogen 2.743 N/A LEU 422.A N ALA 418.A O no hydrogen 3.063 N/A GLU 423.A N ARG 419.A O no hydrogen 2.760 N/A ARG 424.A N ALA 420.A O no hydrogen 3.048 N/A ARG 424.A NH1 GLU 609.A OE2 no hydrogen 3.549 N/A ARG 424.A NH2 GLU 609.A OE1 no hydrogen 2.839 N/A TYR 425.A N ALA 420.A O no hydrogen 3.232 N/A ALA 427.A N TYR 421.A O no hydrogen 3.033 N/A ARG 428.A N SER 401.A O no hydrogen 2.926 N/A GLN 429.A N SER 401.A O no hydrogen 3.429 N/A GLN 429.A NE2 THR 402.A OG1 no hydrogen 3.331 N/A GLN 429.A NE2 TYR 476.A O no hydrogen 2.771 N/A VAL 430.A N ARG 455.A O no hydrogen 2.820 N/A VAL 431.A N VAL 403.A O no hydrogen 2.785 N/A MET 432.A N MET 457.A O no hydrogen 2.773 N/A ILE 433.A N LEU 405.A O no hydrogen 2.766 N/A VAL 434.A N ILE 459.A O no hydrogen 2.871 N/A GLU 435.A N GLU 408.A OE2 no hydrogen 2.833 N/A THR 436.A N GLU 408.A OE2 no hydrogen 2.828 N/A THR 436.A OG1 GLU 408.A OE1 no hydrogen 2.706 N/A THR 436.A OG1 GLU 408.A OE2 no hydrogen 3.568 N/A GLY 439.A N THR 436.A OG1 no hydrogen 3.176 N/A ALA 440.A N THR 436.A O no hydrogen 3.002 N/A GLU 441.A N GLU 437.A O no hydrogen 2.914 N/A THR 442.A N THR 438.A O no hydrogen 2.995 N/A THR 442.A OG1 THR 438.A O no hydrogen 2.884 N/A MET 443.A N GLY 439.A O no hydrogen 3.205 N/A ARG 444.A N ALA 440.A O no hydrogen 2.904 N/A ARG 444.A NE GLU 441.A OE1 no hydrogen 2.923 N/A ARG 444.A NH1 THR 458.A OG1 no hydrogen 2.816 N/A ARG 444.A NH2 GLU 437.A OE2 no hydrogen 2.816 N/A ARG 444.A NH2 GLU 441.A OE1 no hydrogen 2.828 N/A ARG 445.A N GLU 441.A O no hydrogen 3.001 N/A LEU 446.A N THR 442.A O no hydrogen 3.120 N/A LEU 447.A N MET 443.A O no hydrogen 2.981 N/A HIS 450.A NE2 GLU 423.A OE2 no hydrogen 2.758 N/A VAL 451.A N LEU 447.A O no hydrogen 2.977 N/A GLU 452.A N HIS 448.A O no hydrogen 2.994 N/A ALA 453.A N ASP 449.A O no hydrogen 3.188 N/A GLY 454.A N VAL 451.A O no hydrogen 3.151 N/A ARG 455.A N HIS 450.A O no hydrogen 2.814 N/A ARG 455.A NE HIS 450.A ND1 no hydrogen 3.056 N/A ARG 455.A NH2 HIS 450.A ND1 no hydrogen 3.516 N/A LEU 456.A N HIS 450.A O no hydrogen 3.035 N/A MET 457.A N VAL 430.A O no hydrogen 2.925 N/A ILE 459.A N MET 432.A O no hydrogen 2.973 N/A ALA 461.A N VAL 434.A O no hydrogen 2.809 N/A GLY 462.A N GLU 435.A O no hydrogen 2.923 N/A GLN 464.A N ALA 461.A O no hydrogen 2.862 N/A GLN 464.A NE2 ASP 463.A OD1.A no hydrogen 2.927 N/A GLU 466.A N GLU 466.A OE1 no hydrogen 2.881 N/A ALA 468.A N GLN 464.A O no hydrogen 3.078 N/A ILE 469.A N ILE 465.A O no hydrogen 2.952 N/A ASP 470.A N GLU 466.A O no hydrogen 3.039 N/A GLN 471.A N ALA 467.A O no hydrogen 3.042 N/A ALA 472.A N ALA 468.A O no hydrogen 3.019 N/A ILE 473.A N ILE 469.A O no hydrogen 2.889 N/A THR 474.A N ASP 470.A O no hydrogen 3.046 N/A THR 474.A OG1 ASP 470.A O no hydrogen 2.852 N/A ARG 475.A N GLN 471.A O no hydrogen 3.004 N/A ARG 475.A NH1 GLN 471.A OE1 no hydrogen 2.907 N/A TYR 476.A N ALA 472.A O no hydrogen 2.736 N/A GLY 477.A N ILE 473.A O no hydrogen 2.813 N/A ARG 478.A NH1 SER 533.A OG no hydrogen 3.007 N/A GLY 480.A N THR 402.A O no hydrogen 2.875 N/A VAL 482.A N ARG 537.A O no hydrogen 2.939 N/A VAL 483.A N TYR 404.A O no hydrogen 2.985 N/A CYS 484.A N ALA 539.A O no hydrogen 2.807 N/A CYS 484.A SG HIS 522.A NE2 no hydrogen 3.512 N/A CYS 484.A SG HIS 523.A ND1 no hydrogen 3.497 N/A THR 485.A N ILE 406.A O no hydrogen 2.854 N/A THR 485.A OG1 ILE 406.A O no hydrogen 2.756 N/A ARG 488.A NE GLU 435.A OE1 no hydrogen 2.810 N/A ARG 488.A NE GLU 435.A OE2 no hydrogen 3.409 N/A ARG 488.A NH2 GLU 435.A OE2 no hydrogen 2.868 N/A LYS 499.A NZ LYS 146.A O no hydrogen 2.914 N/A SER 501.A N ARG 498.A O no hydrogen 3.009 N/A SER 501.A OG ARG 498.A O no hydrogen 2.729 N/A SER 504.A N ASP 502.A OD1 no hydrogen 3.038 N/A SER 504.A OG ASP 502.A OD1 no hydrogen 2.912 N/A VAL 506.A N TRP 503.A O no hydrogen 3.148 N/A LEU 507.A N PRO 494.A O no hydrogen 2.911 N/A SER 508.A N GLU 511.A OE1 no hydrogen 2.933 N/A GLU 509.A N GLU 509.A OE1 no hydrogen 2.730 N/A GLU 511.A N SER 508.A OG no hydrogen 3.155 N/A PHE 512.A N SER 508.A O no hydrogen 3.019 N/A ALA 513.A N GLU 509.A O no hydrogen 3.141 N/A GLU 514.A N ALA 510.A O no hydrogen 2.986 N/A LEU 515.A N GLU 511.A O no hydrogen 2.991 N/A CYS 516.A N PHE 512.A O no hydrogen 3.177 N/A CYS 516.A SG PHE 512.A O no hydrogen 3.509 N/A GLU 517.A N ALA 513.A O no hydrogen 2.950 N/A HIS 518.A N GLU 514.A O no hydrogen 2.942 N/A HIS 518.A NE2 GLU 514.A OE1 no hydrogen 2.823 N/A GLN 519.A N LEU 515.A O no hydrogen 2.806 N/A GLN 519.A NE2 ARG 488.A O no hydrogen 2.924 N/A LEU 520.A N CYS 516.A O no hydrogen 2.903 N/A THR 521.A N CYS 516.A O no hydrogen 2.978 N/A HIS 522.A N GLU 517.A O no hydrogen 2.910 N/A HIS 522.A NE2 THR 485.A O no hydrogen 2.905 N/A PHE 524.A N LEU 520.A O no hydrogen 3.068 N/A ARG 525.A N THR 521.A O no hydrogen 2.925 N/A ARG 525.A NE GLU 466.A OE2 no hydrogen 3.021 N/A ARG 525.A NH1 ASP 463.A OD1.B no hydrogen 3.362 N/A ARG 525.A NH2 ASP 463.A O no hydrogen 2.779 N/A ARG 525.A NH2 GLU 466.A OE1 no hydrogen 2.907 N/A VAL 526.A N HIS 522.A O no hydrogen 3.339 N/A ALA 527.A N HIS 523.A O no hydrogen 2.956 N/A ARG 528.A N PHE 524.A O no hydrogen 2.855 N/A ARG 528.A NE MET 118.A O no hydrogen 2.833 N/A TRP 529.A N ARG 525.A O no hydrogen 3.321 N/A TRP 529.A NE1 ASP 470.A OD1 no hydrogen 2.881 N/A ILE 530.A N VAL 526.A O no hydrogen 2.865 N/A ALA 531.A N ALA 527.A O no hydrogen 2.906 N/A SER 533.A N ILE 530.A O no hydrogen 3.002 N/A ALA 536.A N SER 533.A O no hydrogen 3.263 N/A ARG 537.A N GLY 480.A O no hydrogen 3.001 N/A ARG 537.A NE THR 619.A O no hydrogen 2.806 N/A ARG 537.A NH1 GLY 535.A O no hydrogen 3.236 N/A ARG 537.A NH2 THR 619.A O no hydrogen 2.873 N/A LEU 538.A N LEU 583.A O no hydrogen 2.811 N/A ALA 539.A N VAL 482.A O no hydrogen 2.857 N/A LEU 540.A N ASN 585.A O no hydrogen 2.801 N/A VAL 541.A N CYS 484.A O no hydrogen 2.756 N/A THR 542.A N VAL 587.A O no hydrogen 3.249 N/A THR 542.A OG1 ASP 588.A OD1 no hydrogen 3.021 N/A THR 545.A N LEU 589.A O no hydrogen 3.029 N/A THR 545.A OG1 LEU 589.A O no hydrogen 3.541 N/A THR 545.A OG1 GLU 597.A OE2 no hydrogen 2.673 N/A THR 546.A N SER 549.A OG no hydrogen 2.783 N/A THR 546.A OG1 THR 548.A OG1 no hydrogen 3.094 N/A THR 548.A N THR 546.A OG1 no hydrogen 3.154 N/A THR 548.A OG1 THR 546.A OG1 no hydrogen 3.094 N/A SER 549.A N THR 546.A O no hydrogen 3.268 N/A SER 549.A OG THR 546.A O no hydrogen 3.519 N/A THR 550.A N GLN 553.A OE1 no hydrogen 3.139 N/A THR 550.A OG1 GLU 552.A OE1 no hydrogen 3.446 N/A GLN 553.A N THR 550.A OG1 no hydrogen 3.215 N/A GLN 553.A NE2 LEU 490.A O no hydrogen 3.176 N/A PHE 554.A N THR 550.A O no hydrogen 3.073 N/A ALA 555.A N THR 551.A O no hydrogen 3.187 N/A LEU 556.A N GLU 552.A O no hydrogen 2.953 N/A ALA 557.A N GLN 553.A O no hydrogen 2.810 N/A ASN 558.A N PHE 554.A O no hydrogen 2.918 N/A ASN 558.A ND2 PHE 554.A O no hydrogen 2.786 N/A ASN 558.A ND2 ARG 591.A O no hydrogen 3.011 N/A PHE 559.A N ALA 555.A O no hydrogen 2.943 N/A ILE 560.A N LEU 556.A O no hydrogen 3.079 N/A LYS 561.A N ALA 557.A O no hydrogen 2.965 N/A LYS 561.A NZ THR 590.A O no hydrogen 2.807 N/A LYS 561.A NZ THR 641.A OG1 no hydrogen 2.992 N/A THR 562.A N ASN 558.A O no hydrogen 3.284 N/A THR 562.A OG1 ASN 558.A O no hydrogen 2.748 N/A THR 563.A N PHE 559.A O no hydrogen 3.151 N/A THR 563.A OG1 PHE 559.A O no hydrogen 2.714 N/A LEU 564.A N ILE 560.A O no hydrogen 2.814 N/A HIS 565.A N LYS 561.A O no hydrogen 3.108 N/A HIS 565.A NE2 ASP 588.A OD2 no hydrogen 2.850 N/A ALA 566.A N THR 563.A O no hydrogen 3.310 N/A THR 568.A N LEU 564.A O no hydrogen 2.900 N/A THR 568.A OG1 LEU 564.A O no hydrogen 3.201 N/A THR 568.A OG1 GLN 586.A OE1 no hydrogen 2.768 N/A ALA 569.A N HIS 565.A O no hydrogen 2.900 N/A THR 570.A N ALA 566.A O no hydrogen 3.152 N/A THR 570.A OG1 ALA 566.A O no hydrogen 2.699 N/A ILE 571.A N PHE 567.A O no hydrogen 2.910 N/A GLY 572.A N THR 568.A O no hydrogen 2.966 N/A VAL 573.A N ALA 569.A O no hydrogen 3.436 N/A GLU 574.A N THR 570.A O no hydrogen 3.083 N/A SER 575.A N ILE 571.A O no hydrogen 2.918 N/A SER 575.A OG ILE 571.A O no hydrogen 3.054 N/A SER 575.A OG GLY 572.A O no hydrogen 3.003 N/A GLU 576.A N VAL 573.A O no hydrogen 3.130 N/A ARG 577.A N GLU 574.A O no hydrogen 2.989 N/A THR 578.A N SER 575.A O no hydrogen 3.095 N/A THR 578.A OG1 SER 575.A O no hydrogen 2.958 N/A GLN 580.A N GLN 580.A OE1 no hydrogen 2.985 N/A ARG 581.A N THR 578.A OG1 no hydrogen 3.344 N/A ARG 581.A NE ASP 627.A OD2 no hydrogen 3.097 N/A ARG 581.A NH1 ASP 627.A OD1 no hydrogen 3.328 N/A ARG 581.A NH1 ASP 627.A OD2 no hydrogen 3.494 N/A LEU 583.A N ALA 536.A O no hydrogen 3.199 N/A ASN 585.A N LEU 538.A O no hydrogen 2.987 N/A ASN 585.A ND2 HIS 635.A O no hydrogen 2.851 N/A GLN 586.A N ARG 638.A O no hydrogen 2.754 N/A GLN 586.A NE2 LYS 561.A O no hydrogen 3.322 N/A GLN 586.A NE2 ASP 588.A OD1 no hydrogen 2.819 N/A VAL 587.A N LEU 540.A O no hydrogen 2.869 N/A ASP 588.A N ILE 640.A O no hydrogen 2.762 N/A LEU 589.A N THR 542.A OG1 no hydrogen 3.406 N/A THR 590.A OG1 PRO 543.A O no hydrogen 2.735 N/A ARG 591.A N THR 545.A OG1 no hydrogen 3.006 N/A ARG 591.A NE VAL 642.A OXT no hydrogen 2.992 N/A ARG 591.A NH1 GLU 385.A OE2 no hydrogen 2.800 N/A ARG 591.A NH1 GLU 596.A OE1 no hydrogen 3.128 N/A ARG 591.A NH2 GLU 385.A OE2 no hydrogen 2.811 N/A ARG 591.A NH2 VAL 642.A O no hydrogen 2.931 N/A ARG 591.A NH2 VAL 642.A OXT no hydrogen 3.459 N/A ARG 594.A NH1 ALA 547.A O no hydrogen 2.758 N/A ARG 594.A NH1 SER 549.A O no hydrogen 2.768 N/A ARG 594.A NH2 SER 549.A O no hydrogen 2.813 N/A GLU 596.A N ALA 593.A O no hydrogen 3.280 N/A GLU 597.A N ARG 594.A O no hydrogen 3.118 N/A ARG 599.A N GLU 603.A OE1 no hydrogen 2.775 N/A ARG 599.A NH2 ALA 595.A O no hydrogen 3.064 N/A GLU 603.A N ASP 600.A OD1 no hydrogen 2.837 N/A ARG 604.A N ASP 600.A O no hydrogen 3.129 N/A ARG 604.A NH1 GLU 544.A OE1 no hydrogen 2.738 N/A ARG 604.A NH1 GLU 607.A OE1 no hydrogen 3.149 N/A ARG 604.A NH2 GLU 412.A OE2 no hydrogen 2.991 N/A GLN 605.A N PRO 601.A O no hydrogen 2.989 N/A GLN 606.A N HIS 602.A O no hydrogen 3.032 N/A GLU 607.A N GLU 603.A O no hydrogen 2.924 N/A LEU 608.A N ARG 604.A O no hydrogen 2.906 N/A GLU 609.A N GLN 605.A O no hydrogen 3.106 N/A ARG 610.A N GLN 606.A O no hydrogen 3.048 N/A ARG 610.A NE VAL 642.A O no hydrogen 2.842 N/A ARG 610.A NH1 GLU 385.A O no hydrogen 2.980 N/A ARG 610.A NH2 GLU 385.A O no hydrogen 2.775 N/A ARG 610.A NH2 VAL 642.A O no hydrogen 2.844 N/A PHE 611.A N GLU 607.A O no hydrogen 3.029 N/A ILE 612.A N LEU 608.A O no hydrogen 3.291 N/A GLU 613.A N GLU 609.A O no hydrogen 2.960 N/A ALA 614.A N ARG 610.A O no hydrogen 2.910 N/A VAL 615.A N PHE 611.A O no hydrogen 3.048 N/A LEU 616.A N ILE 612.A O no hydrogen 2.942 N/A LEU 617.A N GLU 613.A O no hydrogen 2.897 N/A VAL 618.A N ALA 614.A O no hydrogen 3.367 N/A VAL 618.A N VAL 615.A O no hydrogen 3.168 N/A THR 619.A N VAL 615.A O no hydrogen 2.865 N/A THR 619.A OG1 TYR 421.A OH no hydrogen 2.743 N/A THR 619.A OG1 VAL 615.A O no hydrogen 2.688 N/A ALA 620.A N LEU 616.A O no hydrogen 2.870 N/A GLU 625.A N GLU 625.A OE2 no hydrogen 2.803 N/A ALA 626.A N PRO 623.A O no hydrogen 2.941 N/A ASP 627.A N PRO 623.A O no hydrogen 3.014 N/A ASP 627.A N PRO 624.A O no hydrogen 3.217 N/A THR 628.A N ALA 626.A O no hydrogen 2.862 N/A ALA 631.A N THR 628.A OG1 no hydrogen 3.122 N/A GLY 632.A N THR 628.A O no hydrogen 2.791 N/A HIS 635.A N ALA 631.A O no hydrogen 3.221 N/A HIS 635.A ND1 ALA 631.A O no hydrogen 2.737 N/A ARG 636.A NE ILE 582.A O no hydrogen 2.936 N/A ARG 636.A NH1 ASP 627.A OD1 no hydrogen 3.088 N/A ARG 636.A NH1 GLY 632.A O no hydrogen 3.024 N/A ARG 636.A NH2 ARG 581.A O no hydrogen 2.687 N/A ARG 636.A NH2 ASP 627.A OD2 no hydrogen 2.855 N/A GLY 637.A N ILE 584.A O no hydrogen 2.799 N/A ARG 638.A N ASN 585.A OD1 no hydrogen 2.905 N/A ARG 638.A NE ARG 636.A O no hydrogen 3.063 N/A ARG 638.A NH2 ARG 633.A O no hydrogen 3.049 N/A ILE 640.A N GLN 586.A O no hydrogen 3.035 N/A THR 641.A N GLY 384.A O no hydrogen 2.847 N/A VAL 642.A N ASP 588.A O no hydrogen 2.900 N/A