Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7b06_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LYS 21.A O no hydrogen 2.794 N/A LEU 3.A N PHE 19.A O no hydrogen 2.840 N/A THR 5.A OG1 ALA 117.A O no hydrogen 3.152 N/A ASP 6.A N ARG 17.A O no hydrogen 3.101 N/A TYR 7.A OH GLN 91.A OE1 no hydrogen 3.035 N/A ILE 8.A N VAL 15.A O no hydrogen 3.047 N/A THR 9.A OG1 HIS 89.A NE2 no hydrogen 2.793 N/A GLU 10.A N LYS 13.A O no hydrogen 2.854 N/A LYS 13.A N GLU 10.A O no hydrogen 3.079 N/A VAL 15.A N ILE 8.A O no hydrogen 2.800 N/A ILE 16.A N ASP 31.A O no hydrogen 2.908 N/A ARG 17.A N ASP 6.A O no hydrogen 2.865 N/A ARG 17.A NE ASP 6.A OD1 no hydrogen 2.898 N/A ARG 17.A NH1 GLU 235.A OE1 no hydrogen 3.390 N/A ARG 17.A NH2 ASP 6.A OD1 no hydrogen 3.489 N/A ARG 17.A NH2 ASP 6.A OD2 no hydrogen 2.733 N/A ARG 17.A NH2 GLU 235.A OE1 no hydrogen 3.543 N/A ILE 18.A N ASP 29.A O no hydrogen 2.848 N/A PHE 19.A N ASP 4.A O no hydrogen 2.940 N/A LYS 20.A N LYS 27.A O no hydrogen 2.869 N/A LYS 20.A NZ ASP 29.A OD2 no hydrogen 2.748 N/A LYS 21.A N MET 1.A O no hydrogen 2.909 N/A LYS 21.A NZ ASP 204.A OD1 no hydrogen 3.507 N/A LYS 21.A NZ ASP 204.A OD2 no hydrogen 2.771 N/A GLU 22.A N GLU 25.A O no hydrogen 2.912 N/A ASN 23.A N GLU 133.A OE2 no hydrogen 3.235 N/A GLY 24.A N GLU 133.A OE1 no hydrogen 2.819 N/A GLU 25.A N GLU 22.A O no hydrogen 2.992 N/A LYS 27.A N LYS 20.A O no hydrogen 2.896 N/A LYS 27.A NZ GLU 22.A OE1 no hydrogen 2.981 N/A ASP 29.A N ILE 18.A O no hydrogen 3.002 N/A ASP 31.A N ILE 16.A O no hydrogen 2.982 N/A ASN 33.A N ASP 31.A OD1 no hydrogen 3.093 N/A TYR 37.A OH ASP 123.A OD2 no hydrogen 2.589 N/A ILE 38.A N LEU 85.A O no hydrogen 3.024 N/A TYR 39.A N TYR 110.A O no hydrogen 2.912 N/A ALA 40.A N TRP 83.A O no hydrogen 2.893 N/A LEU 41.A N ASP 108.A O no hydrogen 2.816 N/A LYS 43.A N ALA 105.A O no hydrogen 3.116 N/A LYS 43.A NZ PRO 104.A O no hydrogen 2.956 N/A SER 46.A N ASP 44.A OD1 no hydrogen 3.130 N/A ALA 47.A N ASP 44.A O no hydrogen 3.189 N/A ILE 48.A N ASP 45.A O no hydrogen 3.273 N/A ASP 50.A N ALA 47.A O no hydrogen 3.023 N/A VAL 51.A N ALA 47.A O no hydrogen 3.190 N/A LYS 52.A N ILE 48.A O no hydrogen 2.924 N/A LYS 52.A NZ GLU 49.A OE2 no hydrogen 3.222 N/A ILE 54.A N VAL 51.A O no hydrogen 3.190 N/A ALA 56.A N VAL 63.A O no hydrogen 3.022 N/A ARG 58.A N THR 61.A O no hydrogen 3.078 N/A ARG 58.A NH1 ASP 92.A OD1 no hydrogen 2.787 N/A THR 61.A N ARG 58.A O no hydrogen 3.128 N/A THR 62.A OG1 GLU 57.A OE2 no hydrogen 2.959 N/A VAL 63.A N ALA 56.A O no hydrogen 2.733 N/A VAL 66.A N TYR 86.A O no hydrogen 2.962 N/A ARG 67.A NH2 GLU 35.A OE2 no hydrogen 2.792 N/A GLU 69.A N LYS 84.A O no hydrogen 3.115 N/A LYS 70.A NZ ASP 45.A OD2 no hydrogen 3.237 N/A VAL 71.A N VAL 82.A O no hydrogen 2.916 N/A LYS 73.A N ILE 80.A O no hydrogen 2.867 N/A LYS 73.A NZ ASN 365.A OD1 no hydrogen 2.801 N/A LYS 74.A N ASN 365.A O no hydrogen 3.043 N/A LYS 74.A NZ ARG 364.A O no hydrogen 3.250 N/A LYS 74.A NZ GLU 366.A OE1 no hydrogen 3.255 N/A PHE 75.A N ARG 78.A O no hydrogen 2.864 N/A ARG 78.A N PHE 75.A O no hydrogen 3.182 N/A ARG 78.A NH2 GLU 425.A O no hydrogen 3.493 N/A ILE 80.A N LYS 73.A O no hydrogen 2.803 N/A VAL 82.A N VAL 71.A O no hydrogen 3.114 N/A TRP 83.A N ALA 40.A O no hydrogen 2.904 N/A TRP 83.A NE1 ASP 45.A OD1 no hydrogen 3.264 N/A LYS 84.A N GLU 69.A O no hydrogen 2.802 N/A LYS 84.A NZ TYR 86.A OH no hydrogen 3.208 N/A LEU 85.A N ILE 38.A O no hydrogen 2.792 N/A TYR 86.A N ARG 67.A O no hydrogen 2.843 N/A TYR 86.A OH GLU 69.A OE1 no hydrogen 2.855 N/A PHE 87.A N PRO 36.A O no hydrogen 3.003 N/A HIS 89.A N ASP 92.A OD2 no hydrogen 2.891 N/A HIS 89.A NE2 THR 9.A OG1 no hydrogen 2.793 N/A GLN 91.A N HIS 89.A ND1 no hydrogen 3.034 N/A ASP 92.A N HIS 89.A O no hydrogen 2.891 N/A GLN 93.A N PRO 90.A O no hydrogen 3.331 N/A GLN 93.A NE2 TYR 112.A O no hydrogen 2.832 N/A ALA 95.A N ASP 92.A O no hydrogen 3.139 N/A ILE 96.A N ASP 92.A O no hydrogen 3.003 N/A ILE 96.A N GLN 93.A O no hydrogen 3.361 N/A ARG 97.A N GLN 93.A O no hydrogen 2.941 N/A ARG 97.A NH2 TYR 112.A O no hydrogen 3.433 N/A ILE 100.A N ILE 96.A O no hydrogen 3.069 N/A LYS 101.A N ARG 97.A O no hydrogen 3.026 N/A LYS 101.A NZ ASP 108.A OD1 no hydrogen 3.230 N/A GLU 102.A N ASP 98.A O no hydrogen 2.959 N/A HIS 103.A N ILE 100.A O no hydrogen 3.223 N/A ALA 105.A N HIS 103.A ND1 no hydrogen 3.168 N/A VAL 106.A N HIS 103.A O no hydrogen 2.998 N/A VAL 107.A N LEU 41.A O no hydrogen 2.818 N/A ILE 109.A N ASP 108.A OD1 no hydrogen 2.762 N/A TYR 110.A N TYR 39.A O no hydrogen 2.838 N/A LYS 118.A N PRO 115.A O no hydrogen 3.054 N/A LYS 118.A NZ ASP 343.A OD1 no hydrogen 3.557 N/A ARG 119.A N PRO 115.A O no hydrogen 2.841 N/A ARG 119.A NE ASP 123.A OD1 no hydrogen 2.986 N/A ARG 119.A NH1 GLU 111.A OE1 no hydrogen 2.906 N/A ARG 119.A NH2 ASP 123.A OD1 no hydrogen 3.197 N/A TYR 120.A N PHE 116.A O no hydrogen 3.008 N/A TYR 120.A OH ASP 31.A OD2 no hydrogen 2.620 N/A LEU 121.A N ALA 117.A O no hydrogen 3.462 N/A ILE 122.A N LYS 118.A O no hydrogen 3.185 N/A ASP 123.A N ARG 119.A O no hydrogen 3.015 N/A LYS 124.A N TYR 120.A O no hydrogen 2.950 N/A GLY 125.A N ILE 122.A O no hydrogen 3.098 N/A LEU 126.A N LEU 121.A O no hydrogen 2.886 N/A MET 129.A N ILE 2.A O no hydrogen 2.902 N/A LYS 136.A N ASP 204.A OD2 no hydrogen 2.911 N/A LYS 136.A NZ LYS 201.A O no hydrogen 3.054 N/A LEU 138.A N VAL 205.A O no hydrogen 2.929 N/A ALA 139.A N ALA 163.A O no hydrogen 2.946 N/A PHE 140.A N ILE 207.A O no hydrogen 3.075 N/A ALA 141.A N SER 161.A O no hydrogen 2.953 N/A ALA 143.A N MET 159.A O no hydrogen 2.878 N/A LEU 145.A N PRO 156.A O no hydrogen 3.091 N/A GLU 151.A N GLU 154.A OE2 no hydrogen 2.928 N/A GLU 154.A N GLU 151.A O no hydrogen 3.370 N/A ILE 157.A N GLU 187.A OE2 no hydrogen 2.821 N/A LEU 158.A N ALA 143.A O no hydrogen 2.751 N/A MET 159.A N ALA 143.A O no hydrogen 3.221 N/A ILE 160.A N ILE 171.A O no hydrogen 2.961 N/A SER 161.A N ALA 141.A O no hydrogen 2.850 N/A SER 161.A OG ALA 141.A O no hydrogen 3.488 N/A SER 161.A OG SER 312.A O no hydrogen 2.702 N/A SER 161.A OG SER 312.A OG no hydrogen 3.402 N/A TYR 162.A N ARG 169.A O no hydrogen 3.025 N/A ALA 163.A N ALA 139.A O no hydrogen 2.923 N/A ASP 164.A N GLY 167.A O no hydrogen 3.032 N/A GLU 166.A N ASP 164.A OD1 no hydrogen 3.059 N/A GLY 167.A N ASP 164.A O no hydrogen 3.032 N/A ARG 169.A N TYR 162.A O no hydrogen 2.925 N/A ARG 169.A NH2 PRO 179.A O no hydrogen 3.004 N/A VAL 170.A N TYR 180.A O no hydrogen 2.866 N/A ILE 171.A N ILE 160.A O no hydrogen 2.811 N/A THR 172.A N ASP 182.A O no hydrogen 3.076 N/A THR 172.A OG1 LEU 158.A O no hydrogen 2.919 N/A TRP 173.A NE1 ILE 157.A O no hydrogen 2.908 N/A LEU 178.A N ILE 176.A O no hydrogen 2.930 N/A VAL 181.A N LEU 178.A O no hydrogen 3.136 N/A ASP 182.A N VAL 170.A O no hydrogen 2.770 N/A VAL 184.A N THR 172.A O no hydrogen 2.931 N/A GLU 189.A N THR 186.A OG1 no hydrogen 3.042 N/A MET 190.A N THR 186.A O no hydrogen 3.047 N/A ILE 191.A N GLU 187.A O no hydrogen 3.028 N/A LYS 192.A N LYS 188.A O no hydrogen 3.012 N/A LYS 192.A NZ GLU 189.A OE1 no hydrogen 2.882 N/A ARG 193.A N GLU 189.A O no hydrogen 2.884 N/A PHE 194.A N MET 190.A O no hydrogen 2.986 N/A LEU 195.A N ILE 191.A O no hydrogen 3.019 N/A LYS 196.A N LYS 192.A O no hydrogen 3.095 N/A VAL 197.A N ARG 193.A O no hydrogen 3.038 N/A VAL 198.A N PHE 194.A O no hydrogen 3.100 N/A LYS 199.A N LEU 195.A O no hydrogen 2.955 N/A GLU 200.A N LYS 196.A O no hydrogen 2.838 N/A LYS 201.A N VAL 197.A O no hydrogen 2.865 N/A LYS 201.A NZ ASP 164.A OD2 no hydrogen 2.827 N/A ASP 202.A N VAL 198.A O no hydrogen 2.825 N/A ASP 204.A N LYS 136.A O no hydrogen 2.746 N/A VAL 205.A N LYS 136.A O no hydrogen 3.127 N/A LEU 206.A N ILE 256.A O no hydrogen 2.888 N/A ILE 207.A N LEU 138.A O no hydrogen 2.847 N/A THR 208.A N PHE 258.A O no hydrogen 3.087 N/A THR 208.A OG1 HIS 257.A NE2 no hydrogen 2.730 N/A TYR 209.A OH TYR 273.A O no hydrogen 2.599 N/A ASN 210.A N ASP 259.A OD1 no hydrogen 2.811 N/A GLY 211.A N THR 208.A OG1 no hydrogen 3.167 N/A ASP 212.A N ASP 259.A OD2 no hydrogen 2.950 N/A ASN 213.A N ASN 210.A O no hydrogen 3.255 N/A ASN 213.A ND2 ASN 210.A OD1 no hydrogen 3.488 N/A PHE 216.A N GLY 211.A O no hydrogen 3.438 N/A TYR 218.A N PHE 214.A O no hydrogen 2.868 N/A TYR 218.A OH GLY 155.A O no hydrogen 2.621 N/A LEU 219.A N ASP 215.A O no hydrogen 2.970 N/A LYS 220.A N PHE 216.A O no hydrogen 2.910 N/A LYS 221.A N ALA 217.A O no hydrogen 3.133 N/A ARG 222.A N TYR 218.A O no hydrogen 3.106 N/A ARG 222.A NE GLU 187.A OE2 no hydrogen 2.986 N/A ARG 222.A NH1 ALA 153.A O no hydrogen 2.968 N/A ARG 222.A NH1 GLU 154.A O no hydrogen 2.895 N/A ARG 222.A NH2 GLU 187.A OE1 no hydrogen 3.150 N/A SER 223.A N LEU 219.A O no hydrogen 2.907 N/A SER 223.A OG LEU 219.A O no hydrogen 2.899 N/A GLU 224.A N LYS 220.A O no hydrogen 3.023 N/A LYS 225.A N LYS 221.A O no hydrogen 3.034 N/A LEU 226.A N ARG 222.A O no hydrogen 2.886 N/A VAL 228.A N SER 223.A O no hydrogen 2.839 N/A ILE 231.A N LYS 229.A O no hydrogen 2.848 N/A LEU 232.A N SER 237.A O no hydrogen 3.173 N/A GLY 233.A N SER 237.A O no hydrogen 2.984 N/A ARG 234.A N LYS 253.A O no hydrogen 2.881 N/A ARG 234.A NE ASP 202.A OD1 no hydrogen 2.779 N/A ARG 234.A NH1 ASP 204.A OD1 no hydrogen 2.976 N/A ARG 234.A NH1 GLY 254.A O no hydrogen 2.880 N/A ARG 234.A NH2 ASP 202.A O no hydrogen 3.138 N/A ARG 234.A NH2 ASP 202.A OD1 no hydrogen 3.307 N/A ARG 234.A NH2 ASP 204.A OD1 no hydrogen 2.915 N/A GLU 235.A N GLU 235.A OE2 no hydrogen 2.943 N/A GLY 236.A N GLY 233.A O no hydrogen 3.207 N/A SER 237.A OG GLU 235.A OE1 no hydrogen 3.158 N/A SER 237.A OG GLU 235.A OE2 no hydrogen 2.624 N/A LYS 240.A N GLU 251.A O no hydrogen 2.935 N/A GLN 242.A N ALA 249.A O no hydrogen 2.792 N/A ARG 243.A NH1 GLY 245.A O no hydrogen 3.470 N/A PHE 248.A N ASN 213.A OD1 no hydrogen 2.933 N/A ALA 249.A N GLN 242.A O no hydrogen 2.927 N/A VAL 250.A N ASP 212.A OD1 no hydrogen 2.967 N/A GLU 251.A N LYS 240.A O no hydrogen 2.948 N/A LYS 253.A NZ ASP 6.A OD2 no hydrogen 2.822 N/A LYS 253.A NZ GLU 251.A OE2 no hydrogen 2.813 N/A ARG 255.A N VAL 252.A O no hydrogen 3.063 N/A ARG 255.A NE LEU 232.A O no hydrogen 2.972 N/A ARG 255.A NH1 ASP 202.A OD1 no hydrogen 2.731 N/A ARG 255.A NH1 PRO 203.A O no hydrogen 2.944 N/A ARG 255.A NH2 LEU 232.A O no hydrogen 3.075 N/A ILE 256.A N ASP 204.A O no hydrogen 2.872 N/A HIS 257.A ND1 VAL 250.A O no hydrogen 2.714 N/A HIS 257.A NE2 THR 208.A OG1 no hydrogen 2.730 N/A PHE 258.A N LEU 206.A O no hydrogen 2.790 N/A LEU 260.A N THR 208.A O no hydrogen 2.925 N/A TYR 261.A N ASP 259.A OD1 no hydrogen 2.973 N/A ILE 264.A N LEU 260.A O no hydrogen 2.966 N/A ARG 265.A N TYR 261.A O no hydrogen 3.015 N/A ARG 265.A NH1 TYR 261.A OH no hydrogen 3.183 N/A ARG 266.A N VAL 263.A O no hydrogen 3.223 N/A ARG 266.A NH1 SER 345.A O no hydrogen 2.856 N/A ARG 266.A NH2 VAL 344.A O no hydrogen 3.450 N/A THR 267.A N VAL 263.A O no hydrogen 3.070 N/A THR 267.A OG1 VAL 263.A O no hydrogen 2.816 N/A ILE 268.A N ILE 264.A O no hydrogen 3.218 N/A LEU 270.A N TYR 273.A OH no hydrogen 3.157 N/A TYR 273.A OH ILE 268.A O no hydrogen 2.981 N/A ALA 277.A N THR 274.A OG1 no hydrogen 3.141 N/A VAL 278.A N THR 274.A O no hydrogen 3.011 N/A TYR 279.A N LEU 275.A O no hydrogen 3.078 N/A TYR 279.A OH GLN 285.A OE1 no hydrogen 2.912 N/A GLU 280.A N GLU 276.A O no hydrogen 3.092 N/A ALA 281.A N ALA 277.A O no hydrogen 3.043 N/A ILE 282.A N VAL 278.A O no hydrogen 3.143 N/A PHE 283.A N TYR 279.A O no hydrogen 2.946 N/A LYS 287.A NZ GLU 276.A OE1 no hydrogen 2.900 N/A LYS 287.A NZ ASP 315.A OD1 no hydrogen 2.737 N/A LYS 289.A NZ TYR 311.A OH no hydrogen 2.925 N/A TYR 291.A N GLU 294.A OE2 no hydrogen 3.329 N/A GLU 293.A N GLU 293.A OE2 no hydrogen 2.905 N/A ILE 295.A N TYR 291.A O no hydrogen 3.048 N/A ALA 296.A N ALA 292.A O no hydrogen 3.001 N/A GLN 297.A N GLU 293.A O no hydrogen 2.909 N/A ALA 298.A N GLU 294.A O no hydrogen 2.918 N/A TRP 299.A N ILE 295.A O no hydrogen 2.995 N/A GLU 300.A N ALA 296.A O no hydrogen 3.054 N/A THR 301.A N TRP 299.A O no hydrogen 2.926 N/A ARG 307.A NH2 GLU 294.A OE2 no hydrogen 2.815 N/A VAL 308.A N GLY 304.A O no hydrogen 3.404 N/A ALA 309.A N LEU 305.A O no hydrogen 2.917 N/A ARG 310.A N GLU 306.A O no hydrogen 2.946 N/A TYR 311.A N ARG 307.A O no hydrogen 3.121 N/A SER 312.A N VAL 308.A O no hydrogen 2.939 N/A MET 313.A N ALA 309.A O no hydrogen 2.959 N/A GLU 314.A N ARG 310.A O no hydrogen 2.909 N/A ASP 315.A N TYR 311.A O no hydrogen 3.038 N/A ALA 316.A N SER 312.A O no hydrogen 3.464 N/A LYS 317.A N MET 313.A O no hydrogen 2.992 N/A VAL 318.A N GLU 314.A O no hydrogen 2.859 N/A THR 319.A N ASP 315.A O no hydrogen 3.079 N/A THR 319.A OG1 ASP 315.A O no hydrogen 2.508 N/A TYR 320.A N ALA 316.A O no hydrogen 2.958 N/A TYR 320.A OH GLU 165.A OE1 no hydrogen 2.619 N/A GLU 321.A N LYS 317.A O no hydrogen 2.997 N/A LEU 322.A N VAL 318.A O no hydrogen 2.811 N/A GLY 323.A N THR 319.A O no hydrogen 2.916 N/A LYS 324.A N TYR 320.A O no hydrogen 2.925 N/A LYS 324.A NZ GLU 165.A OE1 no hydrogen 3.168 N/A GLU 325.A N GLU 321.A O no hydrogen 3.159 N/A GLU 325.A N LEU 322.A O no hydrogen 3.015 N/A PHE 326.A N LEU 322.A O no hydrogen 2.915 N/A PHE 327.A N GLY 323.A O no hydrogen 2.873 N/A GLU 330.A N PHE 326.A O no hydrogen 3.079 N/A ALA 331.A N PHE 327.A O no hydrogen 2.827 N/A GLN 332.A N PRO 328.A O no hydrogen 3.182 N/A LEU 333.A N MET 329.A O no hydrogen 2.976 N/A SER 334.A N GLU 330.A O no hydrogen 2.890 N/A SER 334.A OG GLN 339.A O no hydrogen 2.509 N/A ARG 335.A N ALA 331.A O no hydrogen 3.022 N/A ARG 335.A NH1 GLN 332.A OE1 no hydrogen 3.190 N/A LEU 336.A N GLN 332.A O no hydrogen 2.972 N/A VAL 337.A N LEU 333.A O no hydrogen 2.910 N/A GLY 338.A N SER 334.A O no hydrogen 2.756 N/A GLN 339.A N SER 334.A O no hydrogen 3.291 N/A SER 340.A OG ASP 4.A OD1 no hydrogen 3.411 N/A SER 340.A OG ASP 343.A OD2 no hydrogen 2.788 N/A TRP 342.A NE1 VAL 250.A O no hydrogen 2.936 N/A ASP 343.A N SER 340.A OG no hydrogen 3.241 N/A VAL 344.A N SER 340.A O no hydrogen 3.005 N/A SER 345.A N LEU 341.A O no hydrogen 2.930 N/A SER 345.A OG LEU 341.A O no hydrogen 2.916 N/A SER 345.A OG TRP 342.A O no hydrogen 3.183 N/A ARG 346.A N ASP 343.A O no hydrogen 3.109 N/A ARG 346.A NE ASP 212.A OD2 no hydrogen 2.814 N/A ARG 346.A NH1 HIS 257.A O no hydrogen 3.084 N/A ARG 346.A NH1 TRP 342.A O no hydrogen 3.063 N/A ARG 346.A NH2 ASP 212.A OD1 no hydrogen 2.973 N/A ARG 346.A NH2 ASP 212.A OD2 no hydrogen 3.440 N/A ARG 346.A NH2 HIS 257.A O no hydrogen 2.883 N/A SER 347.A N VAL 344.A O no hydrogen 3.248 N/A SER 347.A OG SER 348.A O no hydrogen 3.157 N/A ASN 351.A N SER 348.A OG no hydrogen 3.348 N/A ASN 351.A ND2 SER 347.A OG no hydrogen 3.271 N/A LEU 352.A N SER 348.A O no hydrogen 3.087 N/A VAL 353.A N THR 349.A O no hydrogen 3.246 N/A GLU 354.A N GLY 350.A O no hydrogen 3.206 N/A TRP 355.A N ASN 351.A O no hydrogen 3.066 N/A PHE 356.A N LEU 352.A O no hydrogen 3.190 N/A LEU 357.A N VAL 353.A O no hydrogen 2.814 N/A LEU 358.A N GLU 354.A O no hydrogen 2.859 N/A ARG 359.A N TRP 355.A O no hydrogen 3.143 N/A ARG 359.A NH1 LEU 121.A O no hydrogen 3.319 N/A ARG 359.A NH1 LEU 126.A O no hydrogen 3.277 N/A ARG 359.A NH2 LEU 126.A O no hydrogen 3.006 N/A ARG 359.A NH2 GLY 338.A O no hydrogen 2.643 N/A LYS 360.A N PHE 356.A O no hydrogen 3.058 N/A ALA 361.A N LEU 357.A O no hydrogen 2.771 N/A TYR 362.A N LEU 358.A O no hydrogen 3.144 N/A GLU 363.A N ARG 359.A O no hydrogen 3.046 N/A ARG 364.A N LYS 360.A O no hydrogen 2.956 N/A ARG 364.A NH2 ASP 454.A OD2 no hydrogen 3.197 N/A ASN 365.A N TYR 362.A O no hydrogen 3.288 N/A ASN 365.A ND2 LYS 72.A O no hydrogen 2.809 N/A GLU 366.A N ALA 361.A O no hydrogen 2.679 N/A LEU 367.A N LYS 74.A O no hydrogen 2.771 N/A ALA 368.A N GLU 111.A OE2 no hydrogen 2.974 N/A ASN 370.A ND2 ILE 109.A O no hydrogen 2.782 N/A ARG 375.A NE ARG 375.A O no hydrogen 3.120 N/A LEU 377.A N ASP 373.A O no hydrogen 2.840 N/A ALA 378.A N GLU 374.A O no hydrogen 3.174 N/A ARG 379.A N ARG 375.A O no hydrogen 3.311 N/A ARG 380.A N LEU 377.A O no hydrogen 3.203 N/A ARG 380.A NE GLU 376.A OE2 no hydrogen 2.762 N/A ARG 380.A NH1 ALA 499.A O no hydrogen 2.940 N/A ARG 380.A NH1 ALA 501.A O no hydrogen 2.969 N/A SER 383.A OG GLU 510.A OE2 no hydrogen 3.523 N/A LYS 389.A N ALA 538.A O no hydrogen 2.912 N/A LYS 389.A NZ GLU 528.A OE2 no hydrogen 3.472 N/A LYS 389.A NZ VAL 535.A O no hydrogen 2.794 N/A GLU 392.A N LEU 536.A O no hydrogen 3.036 N/A TRP 396.A N GLY 585.A O no hydrogen 2.893 N/A TRP 396.A NE1 GLU 392.A O no hydrogen 2.861 N/A ASN 398.A N LYS 583.A O no hydrogen 2.785 N/A ILE 399.A N TYR 582.A O no hydrogen 2.788 N/A VAL 400.A N ALA 545.A O no hydrogen 2.887 N/A TYR 401.A N GLY 580.A O no hydrogen 3.175 N/A LEU 402.A N PHE 543.A O no hydrogen 3.016 N/A ASP 403.A N GLU 577.A O no hydrogen 3.190 N/A PHE 404.A N ASP 541.A O no hydrogen 2.898 N/A ARG 405.A N GLU 575.A O no hydrogen 2.927 N/A SER 410.A N SER 406.A O no hydrogen 2.891 N/A SER 410.A OG ARG 405.A O no hydrogen 3.306 N/A SER 410.A OG SER 406.A O no hydrogen 2.937 N/A SER 410.A OG LEU 573.A O no hydrogen 3.473 N/A ILE 411.A N LEU 407.A O no hydrogen 2.979 N/A ILE 412.A N TYR 408.A O no hydrogen 3.092 N/A ILE 413.A N PRO 409.A O no hydrogen 3.041 N/A THR 414.A N SER 410.A O no hydrogen 2.904 N/A THR 414.A OG1 SER 410.A O no hydrogen 2.695 N/A HIS 415.A N ILE 411.A O no hydrogen 2.891 N/A HIS 415.A ND1 ASP 431.A OD2 no hydrogen 2.787 N/A HIS 415.A NE2 TYR 519.A OH no hydrogen 2.639 N/A ASN 416.A N ILE 413.A O no hydrogen 3.317 N/A ASN 416.A ND2 CYS 441.A O no hydrogen 2.811 N/A ASN 416.A ND2 PHE 444.A O no hydrogen 2.801 N/A VAL 417.A N ILE 412.A O no hydrogen 2.989 N/A SER 418.A OG ASP 420.A OD1 no hydrogen 2.599 N/A SER 418.A OG THR 421.A OG1 no hydrogen 3.166 N/A ASP 420.A N ASP 420.A OD1 no hydrogen 2.701 N/A THR 421.A N SER 418.A O no hydrogen 3.065 N/A THR 421.A OG1 ASN 416.A O no hydrogen 2.558 N/A THR 421.A OG1 SER 418.A O no hydrogen 3.138 N/A THR 421.A OG1 SER 418.A OG no hydrogen 3.166 N/A LEU 422.A N SER 418.A O no hydrogen 3.004 N/A ASN 423.A N LYS 439.A O no hydrogen 2.804 N/A ARG 424.A NH1 GLY 77.A O no hydrogen 2.842 N/A CYS 427.A N TYR 430.A OH no hydrogen 2.951 N/A CYS 427.A SG ARG 424.A O no hydrogen 3.805 N/A GLU 428.A N ASP 443.A OD2 no hydrogen 2.972 N/A GLU 429.A N ASP 443.A OD1 no hydrogen 3.143 N/A TYR 430.A OH ARG 424.A O no hydrogen 2.647 N/A ASP 431.A N PHE 440.A O no hydrogen 3.029 N/A ALA 433.A N HIS 438.A O no hydrogen 2.984 N/A VAL 436.A N PRO 434.A O no hydrogen 2.747 N/A GLY 437.A N ALA 433.A O no hydrogen 2.997 N/A HIS 438.A NE2 GLU 510.A OE1 no hydrogen 2.911 N/A LYS 439.A N ASN 423.A OD1 no hydrogen 3.254 N/A PHE 440.A N ASP 431.A O no hydrogen 2.928 N/A CYS 441.A N THR 421.A O no hydrogen 2.923 N/A LYS 442.A N GLU 429.A O no hydrogen 2.865 N/A LYS 442.A NZ THR 414.A O no hydrogen 3.093 N/A LYS 442.A NZ ASP 431.A OD2 no hydrogen 2.689 N/A GLY 446.A N ASN 416.A OD1 no hydrogen 2.932 N/A PHE 447.A N ASP 420.A OD2 no hydrogen 3.041 N/A SER 450.A N GLY 446.A O no hydrogen 2.942 N/A SER 450.A OG GLY 446.A O no hydrogen 2.363 N/A LEU 451.A N PHE 447.A O no hydrogen 3.254 N/A LEU 452.A N ILE 448.A O no hydrogen 2.868 N/A GLY 453.A N PRO 449.A O no hydrogen 2.958 N/A ASP 454.A N SER 450.A O no hydrogen 3.164 N/A LEU 455.A N LEU 451.A O no hydrogen 2.933 N/A LEU 456.A N LEU 452.A O no hydrogen 3.112 N/A GLU 457.A N GLY 453.A O no hydrogen 3.083 N/A GLU 458.A N ASP 454.A O no hydrogen 2.813 N/A ARG 459.A N LEU 455.A O no hydrogen 2.854 N/A ARG 459.A NE GLN 482.A O no hydrogen 3.109 N/A GLN 460.A N LEU 456.A O no hydrogen 3.265 N/A LYS 461.A N GLU 457.A O no hydrogen 3.063 N/A VAL 462.A N GLU 458.A O no hydrogen 2.935 N/A LYS 463.A N ARG 459.A O no hydrogen 2.923 N/A LYS 463.A NZ GLN 482.A OE1 no hydrogen 2.962 N/A LYS 464.A N GLN 460.A O no hydrogen 3.138 N/A LYS 465.A N LYS 461.A O no hydrogen 3.277 N/A MET 466.A N VAL 462.A O no hydrogen 2.987 N/A LYS 467.A N LYS 463.A O no hydrogen 3.256 N/A LYS 467.A NZ LYS 463.A O no hydrogen 3.406 N/A ALA 468.A N LYS 464.A O no hydrogen 3.306 N/A THR 469.A N MET 466.A O no hydrogen 3.325 N/A THR 469.A OG1 GLU 474.A OE1 no hydrogen 3.106 N/A ILE 473.A N ASP 471.A OD1 no hydrogen 3.431 N/A LYS 475.A N ASP 471.A O no hydrogen 2.947 N/A LYS 475.A NZ MET 466.A O no hydrogen 3.188 N/A LYS 476.A N PRO 472.A O no hydrogen 3.238 N/A LEU 477.A N ILE 473.A O no hydrogen 3.165 N/A LEU 478.A N GLU 474.A O no hydrogen 2.873 N/A ASP 479.A N LYS 475.A O no hydrogen 2.947 N/A TYR 480.A N LYS 476.A O no hydrogen 3.028 N/A ARG 481.A N LEU 477.A O no hydrogen 3.058 N/A ARG 481.A NE GLU 458.A OE2 no hydrogen 3.293 N/A ARG 481.A NH2 GLU 458.A OE2 no hydrogen 2.940 N/A GLN 482.A N LEU 478.A O no hydrogen 2.930 N/A GLN 482.A NE2 ASP 479.A OD1 no hydrogen 3.123 N/A ARG 483.A N ASP 479.A O no hydrogen 3.038 N/A LEU 484.A N TYR 480.A O no hydrogen 2.810 N/A ILE 485.A N ARG 481.A O no hydrogen 2.922 N/A LYS 486.A N GLN 482.A O no hydrogen 3.267 N/A ILE 487.A N ARG 483.A O no hydrogen 3.079 N/A LEU 488.A N LEU 484.A O no hydrogen 2.876 N/A ALA 489.A N ILE 485.A O no hydrogen 2.852 N/A ASN 490.A N LYS 486.A O no hydrogen 2.928 N/A SER 491.A N LEU 488.A O no hydrogen 3.051 N/A SER 491.A OG ILE 487.A O no hydrogen 2.595 N/A TYR 493.A OH THR 513.A OG1 no hydrogen 2.821 N/A TYR 495.A N SER 491.A O no hydrogen 2.962 N/A TYR 495.A OH GLU 354.A OE1 no hydrogen 2.602 N/A TYR 495.A OH GLU 354.A OE2 no hydrogen 3.240 N/A TYR 496.A N PHE 492.A O no hydrogen 3.023 N/A TYR 496.A OH VAL 417.A O no hydrogen 2.790 N/A GLY 497.A N GLY 494.A O no hydrogen 3.182 N/A TYR 498.A N TYR 495.A O no hydrogen 3.078 N/A ALA 501.A N TYR 498.A O no hydrogen 2.910 N/A ARG 502.A N GLU 354.A OE2 no hydrogen 2.880 N/A ARG 502.A NH1 PRO 369.A O no hydrogen 2.972 N/A ARG 502.A NH2 ASP 113.A OD1 no hydrogen 2.854 N/A TRP 503.A N TYR 495.A OH no hydrogen 2.977 N/A CYS 505.A N TYR 496.A O no hydrogen 2.936 N/A LYS 506.A NZ SER 383.A O no hydrogen 3.465 N/A GLU 507.A N GLU 507.A OE1 no hydrogen 2.764 N/A ALA 509.A N CYS 505.A O no hydrogen 3.152 N/A GLU 510.A N LYS 506.A O no hydrogen 2.881 N/A SER 511.A N GLU 507.A O no hydrogen 3.049 N/A SER 511.A OG GLU 507.A O no hydrogen 2.622 N/A VAL 512.A N CYS 508.A O no hydrogen 3.121 N/A THR 513.A N ALA 509.A O no hydrogen 3.226 N/A THR 513.A OG1 TYR 493.A OH no hydrogen 2.821 N/A THR 513.A OG1 ALA 509.A O no hydrogen 3.121 N/A ALA 514.A N GLU 510.A O no hydrogen 3.004 N/A TRP 515.A N SER 511.A O no hydrogen 2.905 N/A GLY 516.A N VAL 512.A O no hydrogen 2.860 N/A ARG 517.A N THR 513.A O no hydrogen 2.872 N/A GLN 518.A N ALA 514.A O no hydrogen 3.052 N/A TYR 519.A N TRP 515.A O no hydrogen 2.892 N/A TYR 519.A OH HIS 415.A NE2 no hydrogen 2.639 N/A LEU 520.A N GLY 516.A O no hydrogen 3.060 N/A GLU 521.A N ARG 517.A O no hydrogen 3.043 N/A THR 522.A N GLN 518.A O no hydrogen 2.854 N/A THR 522.A OG1 GLN 518.A O no hydrogen 2.764 N/A THR 523.A N TYR 519.A O no hydrogen 3.068 N/A THR 523.A OG1 TYR 519.A O no hydrogen 2.875 N/A ILE 524.A N LEU 520.A O no hydrogen 3.081 N/A ARG 525.A N GLU 521.A O no hydrogen 3.157 N/A ARG 525.A NH1 GLU 529.A OE1 no hydrogen 3.318 N/A GLU 526.A N THR 522.A O no hydrogen 3.001 N/A ILE 527.A N THR 523.A O no hydrogen 2.982 N/A GLU 528.A N ILE 524.A O no hydrogen 3.107 N/A GLU 529.A N ARG 525.A O no hydrogen 2.890 N/A LYS 530.A N GLU 526.A O no hydrogen 2.964 N/A PHE 531.A N ILE 527.A O no hydrogen 3.299 N/A GLY 532.A N GLU 528.A O no hydrogen 3.124 N/A PHE 533.A N ILE 527.A O no hydrogen 3.203 N/A LYS 534.A N THR 546.A O no hydrogen 2.800 N/A LEU 536.A N PHE 544.A O no hydrogen 2.861 N/A ASP 539.A N GLY 542.A O no hydrogen 3.108 N/A THR 540.A N TYR 387.A O no hydrogen 2.821 N/A THR 540.A OG1 ASP 539.A OD1 no hydrogen 2.980 N/A ASP 541.A N ASP 539.A O no hydrogen 2.818 N/A PHE 543.A N LEU 402.A O no hydrogen 2.870 N/A PHE 544.A N TYR 537.A O no hydrogen 2.810 N/A ALA 545.A N VAL 400.A O no hydrogen 2.910 N/A THR 546.A N LYS 534.A O no hydrogen 2.996 N/A THR 546.A OG1 GLU 397.A O no hydrogen 2.966 N/A THR 546.A OG1 ASN 398.A O no hydrogen 2.683 N/A ALA 550.A N ILE 547.A O no hydrogen 2.962 N/A THR 554.A OG1 ASP 551.A OD2 no hydrogen 3.039 N/A VAL 555.A N ASP 551.A O no hydrogen 2.966 N/A LYS 556.A N ALA 552.A O no hydrogen 3.141 N/A LYS 556.A NZ GLU 553.A OE2 no hydrogen 3.055 N/A LYS 556.A NZ GLU 598.A OE2 no hydrogen 2.854 N/A LYS 557.A N GLU 553.A O no hydrogen 3.041 N/A LYS 558.A N THR 554.A O no hydrogen 3.115 N/A ALA 559.A N VAL 555.A O no hydrogen 2.972 N/A LYS 560.A N LYS 556.A O no hydrogen 3.034 N/A GLU 561.A N LYS 557.A O no hydrogen 3.032 N/A PHE 562.A N LYS 558.A O no hydrogen 2.914 N/A LEU 563.A N ALA 559.A O no hydrogen 3.030 N/A ASP 564.A N LYS 560.A O no hydrogen 3.200 N/A TYR 565.A N GLU 561.A O no hydrogen 3.183 N/A TYR 565.A OH GLU 526.A OE1 no hydrogen 2.798 N/A ILE 566.A N PHE 562.A O no hydrogen 2.900 N/A ASN 567.A N LEU 563.A O no hydrogen 3.091 N/A ASN 567.A ND2 LEU 576.A O no hydrogen 3.166 N/A ALA 568.A N TYR 565.A O no hydrogen 3.337 N/A LYS 569.A N ILE 566.A O no hydrogen 3.039 N/A LEU 570.A N ILE 566.A O no hydrogen 2.913 N/A LEU 573.A N THR 414.A OG1 no hydrogen 2.981 N/A LEU 574.A N PRO 571.A O no hydrogen 3.226 N/A LEU 576.A N ASN 567.A OD1 no hydrogen 2.832 N/A GLU 577.A N ASP 403.A O no hydrogen 2.848 N/A GLU 579.A N TYR 401.A O no hydrogen 3.123 N/A TYR 582.A N ILE 399.A O no hydrogen 2.842 N/A ARG 584.A NE LEU 628.A O no hydrogen 3.106 N/A ARG 584.A NH1 GLU 397.A OE1 no hydrogen 2.910 N/A ARG 584.A NH2 LYS 629.A O no hydrogen 2.856 N/A GLY 585.A N TRP 396.A O no hydrogen 2.939 N/A PHE 586.A N ALA 594.A O no hydrogen 2.887 N/A VAL 588.A N LYS 592.A O no hydrogen 2.974 N/A THR 589.A N LYS 592.A O no hydrogen 3.203 N/A THR 589.A OG1 LYS 590.A O no hydrogen 3.264 N/A LYS 591.A N TYR 537.A OH no hydrogen 2.736 N/A LYS 592.A N THR 589.A O no hydrogen 3.141 N/A ALA 594.A N PHE 586.A O no hydrogen 2.951 N/A VAL 595.A N THR 603.A O no hydrogen 2.999 N/A ILE 596.A N ARG 584.A O no hydrogen 3.031 N/A ASP 597.A N LYS 601.A O no hydrogen 3.127 N/A ASP 600.A N ASP 597.A O no hydrogen 3.265 N/A LYS 601.A N ASP 597.A OD1 no hydrogen 2.931 N/A THR 603.A N VAL 595.A O no hydrogen 2.872 N/A ARG 605.A N TYR 593.A O no hydrogen 2.952 N/A GLU 608.A N GLN 620.A OE1 no hydrogen 3.337 N/A SER 613.A N GLN 666.A OE1 no hydrogen 3.452 N/A SER 613.A OG GLN 666.A OE1 no hydrogen 2.849 N/A LYS 617.A N SER 613.A O no hydrogen 3.219 N/A GLU 618.A N GLU 614.A O no hydrogen 2.804 N/A THR 619.A N ILE 615.A O no hydrogen 3.106 N/A THR 619.A OG1 ILE 615.A O no hydrogen 2.771 N/A GLN 620.A N ALA 616.A O no hydrogen 3.121 N/A ALA 621.A N LYS 617.A O no hydrogen 3.179 N/A ARG 622.A N GLU 618.A O no hydrogen 2.996 N/A ARG 622.A NH2 GLU 642.A OE1 no hydrogen 2.830 N/A VAL 623.A N THR 619.A O no hydrogen 2.895 N/A LEU 624.A N GLN 620.A O no hydrogen 2.971 N/A GLU 625.A N ALA 621.A O no hydrogen 3.025 N/A ALA 626.A N ARG 622.A O no hydrogen 3.124 N/A ILE 627.A N VAL 623.A O no hydrogen 3.136 N/A LEU 628.A N LEU 624.A O no hydrogen 2.818 N/A LYS 629.A N GLU 625.A O no hydrogen 2.793 N/A LYS 629.A NZ HIS 630.A NE2 no hydrogen 3.442 N/A ASP 632.A N ALA 626.A O no hydrogen 2.944 N/A GLU 635.A N ASP 632.A OD1 no hydrogen 3.071 N/A ALA 636.A N ASP 632.A O no hydrogen 3.366 N/A VAL 637.A N VAL 633.A O no hydrogen 3.210 N/A ARG 638.A N GLU 634.A O no hydrogen 3.273 N/A ILE 639.A N GLU 635.A O no hydrogen 3.028 N/A LYS 641.A N VAL 637.A O no hydrogen 3.107 N/A GLU 642.A N ARG 638.A O no hydrogen 2.845 N/A VAL 643.A N ILE 639.A O no hydrogen 2.911 N/A THR 644.A N VAL 640.A O no hydrogen 2.952 N/A THR 644.A OG1 VAL 640.A O no hydrogen 2.955 N/A THR 644.A OG1 LYS 641.A O no hydrogen 2.955 N/A GLU 645.A N LYS 641.A O no hydrogen 3.164 N/A LYS 646.A N GLU 642.A O no hydrogen 3.004 N/A LEU 647.A N VAL 643.A O no hydrogen 2.983 N/A SER 648.A N THR 644.A O no hydrogen 3.054 N/A SER 648.A OG THR 644.A O no hydrogen 3.301 N/A SER 648.A OG GLU 645.A O no hydrogen 2.890 N/A LYS 649.A N GLU 645.A O no hydrogen 2.998 N/A LYS 649.A NZ GLU 645.A OE1 no hydrogen 3.240 N/A TYR 650.A N LEU 647.A O no hydrogen 3.229 N/A GLU 651.A N LYS 646.A O no hydrogen 2.822 N/A LYS 656.A N GLU 655.A OE2 no hydrogen 3.112 N/A TYR 657.A OH LEU 647.A O no hydrogen 3.284 N/A TYR 657.A OH VAL 652.A O no hydrogen 2.962 N/A TYR 661.A N ASP 658.A OD1 no hydrogen 3.400 N/A TYR 662.A N ASP 658.A O no hydrogen 3.191 N/A ILE 663.A N ALA 659.A O no hydrogen 3.145 N/A GLU 664.A N GLU 660.A O no hydrogen 2.919 N/A ASN 665.A N TYR 661.A O no hydrogen 2.797 N/A VAL 667.A N TYR 662.A O no hydrogen 2.984 N/A LEU 668.A N ILE 663.A O no hydrogen 3.002 N/A VAL 671.A N VAL 667.A O no hydrogen 3.098 N/A VAL 671.A N LEU 668.A O no hydrogen 3.178 N/A GLU 672.A N LEU 668.A O no hydrogen 2.754 N/A ARG 673.A NE GLU 608.A OE1 no hydrogen 2.945 N/A ILE 674.A N VAL 671.A O no hydrogen 3.063 N/A LEU 675.A N VAL 671.A O no hydrogen 3.036 N/A PHE 678.A N LEU 675.A O no hydrogen 3.315 N/A GLY 679.A N ARG 676.A O no hydrogen 2.903 N/A ARG 681.A N ASP 684.A OD2 no hydrogen 2.795 N/A GLU 683.A N GLU 683.A OE1 no hydrogen 2.748 N/A ASP 684.A N ARG 681.A O no hydrogen 3.173 N/A LEU 685.A N LYS 682.A O no hydrogen 3.332 N/A