Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xxn_3C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH2 GLU 12.A OE1 no hydrogen 3.186 N/A SER 5.A OG ASP 8.A OD2 no hydrogen 2.512 N/A LYS 9.A N SER 5.A O no hydrogen 2.939 N/A ARG 10.A N ALA 6.A O no hydrogen 2.969 N/A PHE 11.A N LYS 7.A O no hydrogen 2.922 N/A GLU 12.A N ASP 8.A O no hydrogen 2.870 N/A GLU 13.A N LYS 9.A O no hydrogen 2.971 N/A LEU 14.A N ARG 10.A O no hydrogen 2.982 N/A THR 15.A N PHE 11.A O no hydrogen 2.879 N/A THR 15.A OG1 PHE 11.A O no hydrogen 3.347 N/A THR 15.A OG1 GLU 12.A O no hydrogen 2.817 N/A ASN 16.A N GLU 12.A O no hydrogen 2.931 N/A ASN 16.A ND2 GLU 12.A OE2 no hydrogen 2.598 N/A LEU 17.A N GLU 13.A O no hydrogen 3.013 N/A ILE 18.A N LEU 14.A O no hydrogen 2.873 N/A ARG 19.A N THR 15.A O no hydrogen 2.899 N/A ARG 19.A NH1 ASN 16.A OD1 no hydrogen 3.041 N/A THR 20.A N ASN 16.A O no hydrogen 2.979 N/A THR 20.A OG1 ASN 16.A O no hydrogen 2.854 N/A ILE 21.A N LEU 17.A O no hydrogen 2.866 N/A ARG 22.A N ILE 18.A O no hydrogen 2.878 N/A ARG 22.A NH1 ASP 66.A OD2 no hydrogen 2.417 N/A ASN 23.A N ARG 19.A O no hydrogen 2.952 N/A ALA 24.A N THR 20.A O no hydrogen 2.948 N/A MET 25.A N ILE 21.A O no hydrogen 2.809 N/A LYS 26.A N ARG 22.A O no hydrogen 2.918 N/A LYS 26.A NZ ARG 22.A O no hydrogen 3.132 N/A LYS 26.A NZ ASN 23.A OD1 no hydrogen 3.292 N/A ILE 27.A N ASN 23.A O no hydrogen 2.976 N/A ASP 29.A N ALA 24.A O no hydrogen 2.843 N/A THR 31.A OG1 ASP 29.A OD1 no hydrogen 3.121 N/A CYS 33.A N ASP 29.A O no hydrogen 2.944 N/A CYS 33.A SG ASP 29.A O no hydrogen 3.209 N/A LEU 34.A N VAL 30.A O no hydrogen 2.888 N/A GLU 35.A N THR 31.A O no hydrogen 2.924 N/A GLU 36.A N LYS 32.A O no hydrogen 2.893 N/A PHE 37.A N CYS 33.A O no hydrogen 2.857 N/A GLU 38.A N LEU 34.A O no hydrogen 2.965 N/A LEU 39.A N GLU 35.A O no hydrogen 2.949 N/A LEU 40.A N GLU 36.A O no hydrogen 2.833 N/A GLY 41.A N PHE 37.A O no hydrogen 2.952 N/A LYS 42.A N GLU 38.A O no hydrogen 2.970 N/A ALA 43.A N LEU 39.A O no hydrogen 2.843 N/A TYR 44.A N LEU 40.A O no hydrogen 2.900 N/A GLY 45.A N GLY 41.A O no hydrogen 2.957 N/A LYS 46.A N LYS 42.A O no hydrogen 2.931 N/A ALA 47.A N ALA 43.A O no hydrogen 2.873 N/A LYS 53.A N ILE 50.A O no hydrogen 2.872 N/A GLU 54.A N VAL 51.A O no hydrogen 2.952 N/A GLY 55.A N VAL 51.A O no hydrogen 2.906 N/A TYR 60.A OH TYR 102.A OH no hydrogen 2.425 N/A ILE 61.A N PRO 57.A O no hydrogen 2.987 N/A ARG 62.A N ARG 58.A O no hydrogen 2.878 N/A ILE 63.A N PHE 59.A O no hydrogen 2.927 N/A LEU 64.A N TYR 60.A O no hydrogen 2.996 N/A ALA 65.A N ILE 61.A O no hydrogen 2.956 N/A ASP 66.A N ARG 62.A O no hydrogen 2.897 N/A LEU 67.A N ILE 63.A O no hydrogen 2.960 N/A GLU 68.A N LEU 64.A O no hydrogen 2.951 N/A ASP 69.A N ALA 65.A O no hydrogen 2.951 N/A TYR 70.A N ASP 66.A O no hydrogen 2.887 N/A TYR 70.A OH MET 25.A O no hydrogen 3.379 N/A LEU 71.A N LEU 67.A O no hydrogen 2.938 N/A ASN 72.A N GLU 68.A O no hydrogen 2.929 N/A GLU 73.A N ASP 69.A O no hydrogen 2.915 N/A LEU 74.A N TYR 70.A O no hydrogen 2.944 N/A TRP 75.A N LEU 71.A O no hydrogen 2.944 N/A MET 84.A N GLY 80.A O no hydrogen 2.924 N/A ASN 88.A N ASN 85.A O no hydrogen 3.190 N/A ALA 89.A N ASN 85.A O no hydrogen 2.838 N/A LYS 90.A N LYS 86.A O no hydrogen 2.983 N/A LEU 92.A N ASN 88.A O no hydrogen 2.924 N/A SER 93.A N ALA 89.A O no hydrogen 2.997 N/A SER 93.A OG ALA 89.A O no hydrogen 3.156 N/A THR 94.A N LYS 90.A O no hydrogen 2.993 N/A LEU 95.A N ALA 91.A O no hydrogen 2.897 N/A ARG 96.A N LEU 92.A O no hydrogen 2.974 N/A GLN 97.A N SER 93.A O no hydrogen 3.054 N/A LYS 98.A N THR 94.A O no hydrogen 2.931 N/A LYS 98.A NZ THR 94.A OG1 no hydrogen 2.271 N/A ILE 99.A N LEU 95.A O no hydrogen 2.892 N/A ARG 100.A N ARG 96.A O no hydrogen 2.968 N/A LYS 101.A N GLN 97.A O no hydrogen 2.946 N/A TYR 102.A N LYS 98.A O no hydrogen 2.876 N/A TYR 102.A OH TYR 60.A OH no hydrogen 2.425 N/A ASN 103.A N ILE 99.A O no hydrogen 2.917 N/A HIS 110.A N THR 109.A OG1 no hydrogen 2.382 N/A VAL 113.A N THR 109.A O no hydrogen 3.088 N/A ILE 114.A N HIS 110.A O no hydrogen 2.889 N/A LYS 115.A N ALA 111.A O no hydrogen 2.951 N/A LYS 116.A N VAL 112.A O no hydrogen 2.914 N/A LEU 117.A N VAL 113.A O no hydrogen 2.905 N/A ASN 118.A N ILE 114.A O no hydrogen 2.863 N/A GLU 119.A N LYS 115.A O no hydrogen 2.974 N/A ILE 120.A N LYS 116.A O no hydrogen 2.982 N/A LEU 121.A N LEU 117.A O no hydrogen 2.866 N/A GLN 122.A N ASN 118.A O no hydrogen 2.876 N/A ALA 123.A N GLU 119.A O no hydrogen 3.040 N/A ARG 124.A NE ASP 168.A OD2 no hydrogen 2.420 N/A ARG 124.A NH2 ASP 168.A OD1 no hydrogen 3.304 N/A THR 129.A N LYS 126.A O no hydrogen 3.318 N/A THR 129.A OG1 LYS 126.A O no hydrogen 2.850 N/A ARG 131.A NE TYR 169.A O no hydrogen 3.547 N/A ARG 131.A NH1 THR 129.A O no hydrogen 3.101 N/A GLN 134.A N ASP 130.A O no hydrogen 2.884 N/A GLN 134.A NE2 ILE 120.A O no hydrogen 2.414 N/A ILE 135.A N ARG 131.A O no hydrogen 2.969 N/A GLU 136.A N ALA 132.A O no hydrogen 2.939 N/A LEU 137.A N ALA 133.A O no hydrogen 2.845 N/A LEU 138.A N GLN 134.A O no hydrogen 2.946 N/A GLN 139.A N ILE 135.A O no hydrogen 2.940 N/A LEU 140.A N GLU 136.A O no hydrogen 2.894 N/A LEU 141.A N LEU 137.A O no hydrogen 2.879 N/A VAL 142.A N LEU 138.A O no hydrogen 2.938 N/A GLN 143.A N GLN 139.A O no hydrogen 2.957 N/A ILE 144.A N LEU 140.A O no hydrogen 2.903 N/A ALA 145.A N LEU 141.A O no hydrogen 2.824 N/A ALA 146.A N VAL 142.A O no hydrogen 2.923 N/A GLU 147.A N ILE 144.A O no hydrogen 3.064 N/A ILE 155.A N GLY 151.A O no hydrogen 3.004 N/A VAL 156.A N GLU 152.A O no hydrogen 2.886 N/A LYS 157.A N GLY 153.A O no hydrogen 2.962 N/A ILE 158.A N VAL 154.A O no hydrogen 2.938 N/A LYS 159.A N ILE 155.A O no hydrogen 2.933 N/A LYS 159.A NZ CYS 188.A O no hydrogen 3.217 N/A LYS 159.A NZ GLU 191.A OE2 no hydrogen 2.578 N/A PHE 160.A N VAL 156.A O no hydrogen 2.933 N/A ASN 161.A N LYS 157.A O no hydrogen 2.992 N/A ILE 162.A N ILE 158.A O no hydrogen 2.833 N/A ILE 163.A N LYS 159.A O no hydrogen 2.975 N/A ALA 164.A N PHE 160.A O no hydrogen 2.950 N/A SER 165.A N ASN 161.A O no hydrogen 2.917 N/A SER 165.A OG ASN 161.A O no hydrogen 2.824 N/A SER 165.A OG ILE 162.A O no hydrogen 2.612 N/A LEU 166.A N ILE 162.A O no hydrogen 2.846 N/A TYR 167.A N ILE 163.A O no hydrogen 3.031 N/A ASP 168.A N ALA 164.A O no hydrogen 2.868 N/A ASN 170.A ND2 THR 175.A OG1 no hydrogen 2.802 N/A ALA 174.A N ASN 172.A OD1 no hydrogen 2.658 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.721 N/A TRP 182.A N LYS 178.A O no hydrogen 2.888 N/A GLY 183.A N PRO 179.A O no hydrogen 2.903 N/A LYS 184.A N GLU 180.A O no hydrogen 2.919 N/A CYS 185.A N MET 181.A O no hydrogen 2.863 N/A CYS 185.A SG TYR 167.A OH no hydrogen 3.795 N/A LEU 186.A N TRP 182.A O no hydrogen 2.956 N/A ASP 187.A N GLY 183.A O no hydrogen 2.913 N/A CYS 188.A N LYS 184.A O no hydrogen 2.869 N/A CYS 188.A SG LYS 184.A O no hydrogen 3.185 N/A ILE 189.A N CYS 185.A O no hydrogen 2.951 N/A ASN 190.A N LEU 186.A O no hydrogen 2.974 N/A ASN 190.A ND2 LEU 186.A O no hydrogen 2.523 N/A GLU 191.A N ASP 187.A O no hydrogen 3.006 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 3.053 N/A LEU 192.A N CYS 188.A O no hydrogen 2.968 N/A MET 193.A N ILE 189.A O no hydrogen 2.922 N/A ASP 194.A N ASN 190.A O no hydrogen 2.906 N/A ILE 195.A N GLU 191.A O no hydrogen 2.900 N/A LEU 196.A N LEU 192.A O no hydrogen 2.929 N/A PHE 197.A N MET 193.A O no hydrogen 2.913 N/A ALA 198.A N ASP 194.A O no hydrogen 2.865 N/A ASN 199.A N ILE 195.A O no hydrogen 3.038 N/A PHE 203.A N LEU 222.A O no hydrogen 2.957 N/A GLY 205.A N VAL 224.A O no hydrogen 3.400 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.798 N/A SER 212.A OG GLU 210.A OE1 no hydrogen 3.124 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.700 N/A ASN 214.A ND2 PRO 221.A O no hydrogen 2.470 N/A HIS 216.A ND1 HIS 216.A O no hydrogen 2.652 N/A ASN 217.A ND2 ASN 214.A OD1 no hydrogen 3.334 N/A VAL 224.A N PHE 203.A O no hydrogen 2.839 N/A GLY 226.A N GLY 205.A O no hydrogen 2.925 N/A CYS 227.A SG GLU 206.A OE1 no hydrogen 3.357 N/A LEU 231.A N CYS 227.A O no hydrogen 3.053 N/A VAL 232.A N ILE 228.A O no hydrogen 2.927 N/A GLU 233.A N LEU 229.A O no hydrogen 2.902 N/A ARG 234.A N THR 230.A O no hydrogen 2.967 N/A ARG 234.A NH2 GLU 238.A OE2 no hydrogen 2.805 N/A MET 235.A N LEU 231.A O no hydrogen 2.893 N/A ASP 236.A N VAL 232.A O no hydrogen 3.044 N/A GLU 237.A N GLU 233.A O no hydrogen 3.104 N/A GLU 237.A N GLU 237.A OE1 no hydrogen 3.251 N/A GLU 238.A N ARG 234.A O no hydrogen 2.989 N/A PHE 239.A N MET 235.A O no hydrogen 2.942 N/A THR 240.A N ASP 236.A O no hydrogen 2.871 N/A THR 240.A OG1 ASP 236.A O no hydrogen 2.708 N/A LYS 241.A N GLU 237.A O no hydrogen 2.897 N/A LYS 241.A NZ LEU 173.A O no hydrogen 3.544 N/A LYS 241.A NZ GLU 238.A OE2 no hydrogen 2.665 N/A ILE 242.A N GLU 238.A O no hydrogen 2.964 N/A MET 243.A N PHE 239.A O no hydrogen 3.102 N/A GLN 244.A N LYS 241.A O no hydrogen 3.235 N/A GLN 244.A NE2 ARG 420.A O no hydrogen 3.197 N/A ASN 245.A N LYS 241.A O no hydrogen 2.966 N/A THR 246.A OG1 ILE 242.A O no hydrogen 2.322 N/A SER 250.A OG ASP 247.A OD2 no hydrogen 2.637 N/A TYR 253.A N SER 250.A O no hydrogen 3.261 N/A GLU 255.A N GLN 251.A O no hydrogen 2.981 N/A HIS 256.A N GLU 252.A O no hydrogen 2.879 N/A HIS 256.A N TYR 253.A O no hydrogen 3.185 N/A LEU 257.A N VAL 254.A O no hydrogen 3.145 N/A LYS 258.A N VAL 254.A O no hydrogen 2.943 N/A LYS 258.A NZ VAL 254.A O no hydrogen 3.048 N/A GLU 260.A N LEU 257.A O no hydrogen 3.070 N/A VAL 263.A N ASP 259.A O no hydrogen 2.968 N/A CYS 264.A N GLU 260.A O no hydrogen 2.938 N/A CYS 264.A SG GLU 260.A O no hydrogen 3.216 N/A CYS 264.A SG GLU 260.A OE2 no hydrogen 3.282 N/A ALA 265.A N ALA 261.A O no hydrogen 2.868 N/A ILE 266.A N GLN 262.A O no hydrogen 2.958 N/A ILE 267.A N VAL 263.A O no hydrogen 2.928 N/A GLU 268.A N CYS 264.A O no hydrogen 2.942 N/A ARG 269.A N ALA 265.A O no hydrogen 2.930 N/A ARG 269.A NH1 ASP 194.A OD1 no hydrogen 2.994 N/A ARG 269.A NH2 ASP 194.A OD1 no hydrogen 2.745 N/A VAL 270.A N ILE 266.A O no hydrogen 2.965 N/A GLN 271.A N ILE 267.A O no hydrogen 2.936 N/A ARG 272.A N GLU 268.A O no hydrogen 2.882 N/A ARG 272.A NH1 GLU 268.A OE2 no hydrogen 3.406 N/A TYR 273.A N ARG 269.A O no hydrogen 2.901 N/A LEU 274.A N VAL 270.A O no hydrogen 2.953 N/A LYS 277.A NZ ILE 202.A O no hydrogen 3.053 N/A LYS 277.A NZ TYR 273.A OH no hydrogen 2.840 N/A THR 279.A N GLU 282.A OE2 no hydrogen 2.461 N/A THR 279.A OG1 GLU 282.A OE2 no hydrogen 2.701 N/A GLU 282.A N GLU 282.A OE1 no hydrogen 2.951 N/A VAL 283.A N THR 279.A O no hydrogen 3.013 N/A CYS 284.A N THR 280.A O no hydrogen 2.836 N/A ARG 285.A N GLU 281.A O no hydrogen 2.995 N/A ILE 286.A N GLU 282.A O no hydrogen 2.924 N/A TYR 287.A N VAL 283.A O no hydrogen 2.954 N/A LEU 288.A N CYS 284.A O no hydrogen 2.953 N/A LEU 289.A N ARG 285.A O no hydrogen 2.887 N/A ARG 290.A N ILE 286.A O no hydrogen 2.922 N/A ARG 290.A NH1 GLU 268.A OE1 no hydrogen 2.644 N/A ILE 291.A N TYR 287.A O no hydrogen 2.947 N/A LEU 292.A N LEU 288.A O no hydrogen 2.869 N/A HIS 293.A N LEU 289.A O no hydrogen 3.032 N/A THR 294.A N ILE 291.A O no hydrogen 3.386 N/A LYS 297.A NZ GLU 260.A OE2 no hydrogen 2.899 N/A LYS 297.A NZ HIS 293.A O no hydrogen 3.314 N/A HIS 303.A N TYR 300.A O no hydrogen 3.234 N/A MET 308.A N SER 304.A O no hydrogen 2.917 N/A GLU 309.A N ALA 305.A O no hydrogen 2.889 N/A ARG 310.A N VAL 306.A O no hydrogen 2.922 N/A LEU 311.A N LEU 307.A O no hydrogen 2.929 N/A CYS 312.A N MET 308.A O no hydrogen 2.984 N/A CYS 312.A SG MET 308.A O no hydrogen 3.274 N/A CYS 312.A SG ALA 328.A O no hydrogen 3.976 N/A LYS 313.A N GLU 309.A O no hydrogen 2.900 N/A TYR 314.A N ARG 310.A O no hydrogen 2.956 N/A ILE 315.A N LEU 311.A O no hydrogen 2.966 N/A TYR 316.A N CYS 312.A O no hydrogen 2.915 N/A TYR 316.A OH HIS 332.A ND1 no hydrogen 3.393 N/A ALA 317.A N LYS 313.A O no hydrogen 2.932 N/A LYS 318.A N TYR 314.A O no hydrogen 2.906 N/A THR 321.A N ASP 319.A OD1 no hydrogen 3.362 N/A ASP 322.A N THR 321.A OG1 no hydrogen 2.662 N/A ARG 325.A NH2 ASP 319.A O no hydrogen 2.989 N/A ARG 325.A NH2 THR 321.A O no hydrogen 3.085 N/A THR 326.A N ASP 322.A O no hydrogen 2.980 N/A THR 326.A OG1 ASP 322.A O no hydrogen 3.032 N/A CYS 327.A N ARG 323.A O no hydrogen 2.927 N/A CYS 327.A SG ARG 323.A O no hydrogen 3.215 N/A ALA 328.A N ILE 324.A O no hydrogen 2.897 N/A ILE 329.A N ARG 325.A O no hydrogen 2.991 N/A LEU 330.A N THR 326.A O no hydrogen 3.006 N/A CYS 331.A N CYS 327.A O no hydrogen 2.884 N/A CYS 331.A SG CYS 327.A O no hydrogen 3.279 N/A CYS 331.A SG ALA 328.A O no hydrogen 3.193 N/A HIS 332.A N ALA 328.A O no hydrogen 2.905 N/A ILE 333.A N ILE 329.A O no hydrogen 3.029 N/A TYR 334.A N LEU 330.A O no hydrogen 2.937 N/A HIS 335.A N CYS 331.A O no hydrogen 2.867 N/A HIS 336.A N HIS 332.A O no hydrogen 2.997 N/A ALA 337.A N ILE 333.A O no hydrogen 2.951 N/A LEU 338.A N TYR 334.A O no hydrogen 2.803 N/A HIS 339.A N HIS 335.A O no hydrogen 2.917 N/A HIS 339.A NE2 ASP 299.A OD1 no hydrogen 2.498 N/A ARG 341.A NE HIS 336.A ND1 no hydrogen 3.020 N/A ARG 341.A NH2 HIS 336.A ND1 no hydrogen 3.054 N/A ARG 341.A NH2 HIS 339.A ND1 no hydrogen 3.125 N/A GLN 344.A N GLN 344.A OE1 no hydrogen 2.651 N/A ALA 345.A N ARG 341.A O no hydrogen 2.930 N/A ARG 346.A N TRP 342.A O no hydrogen 2.910 N/A ASP 347.A N TYR 343.A O no hydrogen 2.985 N/A LEU 348.A N GLN 344.A O no hydrogen 2.885 N/A MET 349.A N ALA 345.A O no hydrogen 2.941 N/A LEU 350.A N ARG 346.A O no hydrogen 2.888 N/A MET 351.A N ASP 347.A O no hydrogen 2.900 N/A SER 352.A N LEU 348.A O no hydrogen 2.860 N/A SER 352.A N MET 349.A O no hydrogen 2.998 N/A SER 352.A OG MET 349.A O no hydrogen 2.432 N/A HIS 353.A N MET 349.A O no hydrogen 2.969 N/A ASN 357.A N LEU 354.A O no hydrogen 3.343 N/A ILE 358.A N LEU 354.A O no hydrogen 2.931 N/A HIS 360.A N ASN 357.A O no hydrogen 3.167 N/A ALA 361.A N ILE 358.A O no hydrogen 3.403 N/A GLN 366.A N ASP 362.A O no hydrogen 2.870 N/A GLN 366.A NE2 ILE 358.A O no hydrogen 3.026 N/A ILE 367.A N PRO 363.A O no hydrogen 2.957 N/A LEU 368.A N PRO 364.A O no hydrogen 2.955 N/A TYR 369.A N VAL 365.A O no hydrogen 2.825 N/A ASN 370.A N GLN 366.A O no hydrogen 2.944 N/A ASN 370.A ND2 LEU 405.A O no hydrogen 3.614 N/A ARG 371.A N ILE 367.A O no hydrogen 2.944 N/A ARG 371.A NH1 TYR 295.A OH no hydrogen 2.837 N/A ARG 371.A NH2 LEU 427.A O no hydrogen 2.457 N/A THR 372.A N LEU 368.A O no hydrogen 2.912 N/A THR 372.A OG1 LEU 330.A O no hydrogen 3.519 N/A MET 373.A N TYR 369.A O no hydrogen 2.904 N/A VAL 374.A N ASN 370.A O no hydrogen 2.963 N/A GLN 375.A N ARG 371.A O no hydrogen 2.942 N/A GLN 375.A NE2 TYR 334.A OH no hydrogen 3.507 N/A LEU 376.A N THR 372.A O no hydrogen 2.829 N/A GLY 377.A N MET 373.A O no hydrogen 2.896 N/A ILE 378.A N VAL 374.A O no hydrogen 3.004 N/A CYS 379.A N GLN 375.A O no hydrogen 2.881 N/A CYS 379.A SG ALA 337.A O no hydrogen 3.342 N/A CYS 379.A SG HIS 339.A O no hydrogen 3.279 N/A ALA 380.A N LEU 376.A O no hydrogen 2.821 N/A PHE 381.A N GLY 377.A O no hydrogen 2.964 N/A ARG 382.A N ILE 378.A O no hydrogen 2.859 N/A GLN 383.A N CYS 379.A O no hydrogen 2.913 N/A GLY 384.A N PHE 381.A O no hydrogen 3.168 N/A LEU 385.A N ALA 380.A O no hydrogen 2.958 N/A THR 386.A N GLY 384.A O no hydrogen 2.863 N/A LYS 387.A NZ ASN 391.A OD1 no hydrogen 3.107 N/A ALA 389.A N LEU 385.A O no hydrogen 3.041 N/A HIS 390.A N THR 386.A O no hydrogen 2.832 N/A ASN 391.A N LYS 387.A O no hydrogen 2.912 N/A ALA 392.A N ASP 388.A O no hydrogen 3.020 N/A LEU 393.A N ALA 389.A O no hydrogen 2.964 N/A LEU 394.A N HIS 390.A O no hydrogen 2.832 N/A ILE 396.A N ALA 392.A O no hydrogen 3.172 N/A GLN 397.A N LEU 393.A O no hydrogen 2.955 N/A GLN 397.A NE2 LEU 434.A O no hydrogen 2.835 N/A SER 398.A N LEU 394.A O no hydrogen 2.883 N/A SER 398.A OG LEU 394.A O no hydrogen 2.832 N/A SER 398.A OG ASP 395.A O no hydrogen 3.254 N/A SER 399.A N ASP 395.A O no hydrogen 2.983 N/A SER 399.A OG ASP 395.A O no hydrogen 3.212 N/A SER 399.A OG ILE 396.A O no hydrogen 2.641 N/A GLU 404.A N GLU 404.A OE1 no hydrogen 2.878 N/A LEU 405.A N ARG 401.A O no hydrogen 2.872 N/A LEU 406.A N ALA 402.A O no hydrogen 2.919 N/A GLY 407.A N GLU 404.A O no hydrogen 2.937 N/A GLN 408.A N LYS 403.A O no hydrogen 2.534 N/A GLN 408.A NE2 ILE 429.A O no hydrogen 2.951 N/A GLU 413.A N GLU 413.A OE1 no hydrogen 2.770 N/A GLN 414.A N GLN 414.A OE1 no hydrogen 2.971 N/A GLN 414.A NE2 ASN 411.A OD1 no hydrogen 2.342 N/A LYS 416.A N GLN 412.A O no hydrogen 2.911 N/A LYS 416.A NZ GLN 412.A OE1 no hydrogen 2.735 N/A VAL 417.A N GLU 413.A O no hydrogen 2.958 N/A GLU 418.A N GLN 414.A O no hydrogen 2.923 N/A ARG 419.A N GLU 415.A O no hydrogen 2.886 N/A ARG 420.A N LYS 416.A O no hydrogen 2.944 N/A ARG 421.A N VAL 417.A O no hydrogen 2.917 N/A ARG 421.A NH2 GLU 418.A OE1 no hydrogen 2.964 N/A GLN 422.A NE2 GLU 418.A O no hydrogen 3.422 N/A VAL 423.A N GLY 407.A O no hydrogen 3.272 N/A HIS 426.A N TYR 253.A OH no hydrogen 2.838 N/A LEU 427.A N PRO 424.A O no hydrogen 3.047 N/A HIS 428.A N PHE 425.A O no hydrogen 3.120 N/A LEU 434.A N ASN 430.A O no hydrogen 2.943 N/A GLU 435.A N LEU 431.A O no hydrogen 2.880 N/A CYS 436.A N GLU 432.A O no hydrogen 2.889 N/A VAL 437.A N LEU 433.A O no hydrogen 2.913 N/A TYR 438.A N LEU 434.A O no hydrogen 3.075 N/A LEU 439.A N GLU 435.A O no hydrogen 2.925 N/A VAL 440.A N CYS 436.A O no hydrogen 2.950 N/A SER 441.A N VAL 437.A O no hydrogen 2.954 N/A SER 441.A OG VAL 437.A O no hydrogen 3.085 N/A SER 441.A OG TYR 438.A O no hydrogen 2.731 N/A ALA 442.A N TYR 438.A O no hydrogen 2.852 N/A MET 443.A N LEU 439.A O no hydrogen 2.912 N/A LEU 444.A N VAL 440.A O no hydrogen 2.970 N/A LEU 445.A N SER 441.A O no hydrogen 2.938 N/A GLU 446.A N MET 443.A O no hydrogen 3.228 N/A ILE 447.A N MET 443.A O no hydrogen 2.931 N/A MET 450.A N GLU 446.A O no hydrogen 3.003 N/A ALA 451.A N ILE 447.A O no hydrogen 2.911 N/A ALA 452.A N PRO 448.A O no hydrogen 2.884 N/A HIS 453.A N TYR 449.A O no hydrogen 2.919 N/A GLU 454.A N MET 450.A O no hydrogen 2.922 N/A ARG 455.A N TYR 449.A OH no hydrogen 2.391 N/A HIS 462.A N SER 458.A O no hydrogen 2.910 N/A HIS 463.A N LYS 459.A O no hydrogen 2.869 N/A GLN 464.A N GLN 460.A O no hydrogen 2.942 N/A GLN 464.A NE2 ARG 481.A O no hydrogen 3.006 N/A LEU 465.A N PHE 461.A O no hydrogen 2.925 N/A ARG 466.A N HIS 462.A O no hydrogen 2.897 N/A VAL 467.A N HIS 463.A O no hydrogen 2.968 N/A GLY 468.A N GLN 464.A O no hydrogen 2.944 N/A GLU 469.A N LEU 465.A O no hydrogen 2.887 N/A ARG 470.A N ARG 466.A O no hydrogen 2.892 N/A GLN 471.A N VAL 467.A O no hydrogen 2.939 N/A GLU 478.A N GLU 482.A OE1 no hydrogen 3.255 N/A ARG 481.A N SER 479.A OG no hydrogen 3.378 N/A ARG 481.A NH1 GLU 435.A OE2 no hydrogen 3.305 N/A HIS 483.A N SER 479.A O no hydrogen 2.883 N/A VAL 484.A N MET 480.A O no hydrogen 2.939 N/A VAL 485.A N ARG 481.A O no hydrogen 2.936 N/A ALA 486.A N GLU 482.A O no hydrogen 2.900 N/A ALA 487.A N HIS 483.A O no hydrogen 2.830 N/A SER 488.A N VAL 484.A O no hydrogen 2.910 N/A SER 488.A OG VAL 485.A O no hydrogen 2.656 N/A LYS 489.A N VAL 485.A O no hydrogen 2.914 N/A ALA 490.A N ALA 486.A O no hydrogen 2.915 N/A MET 491.A N ALA 487.A O no hydrogen 2.808 N/A LYS 492.A N SER 488.A O no hydrogen 2.895 N/A LYS 492.A NZ LYS 492.A O no hydrogen 3.481 N/A MET 493.A N LYS 489.A O no hydrogen 3.094 N/A GLY 494.A N MET 491.A O no hydrogen 2.825 N/A ASP 495.A N ALA 490.A O no hydrogen 2.854 N/A THR 498.A N ASP 495.A OD1 no hydrogen 2.933 N/A THR 498.A OG1 ASP 495.A O no hydrogen 2.883 N/A THR 498.A OG1 ASP 495.A OD1 no hydrogen 3.274 N/A CYS 499.A N ASP 495.A O no hydrogen 3.023 N/A CYS 499.A SG ASP 495.A O no hydrogen 3.554 N/A CYS 499.A SG TRP 496.A O no hydrogen 3.329 N/A HIS 500.A N TRP 496.A O no hydrogen 2.864 N/A SER 501.A N LYS 497.A O no hydrogen 2.901 N/A SER 501.A OG LYS 497.A O no hydrogen 3.198 N/A SER 501.A OG THR 498.A O no hydrogen 2.533 N/A PHE 502.A N THR 498.A O no hydrogen 2.939 N/A ILE 503.A N CYS 499.A O no hydrogen 2.950 N/A ILE 504.A N HIS 500.A O no hydrogen 2.848 N/A MET 508.A N ASN 505.A OD1 no hydrogen 3.024 N/A GLY 510.A N GLU 506.A O no hydrogen 2.941 N/A LYS 511.A N LYS 507.A O no hydrogen 2.896 N/A VAL 512.A N MET 508.A O no hydrogen 2.860 N/A TRP 513.A N MET 508.A O no hydrogen 3.055 N/A TRP 513.A NE1 ILE 503.A O no hydrogen 3.269 N/A ASP 514.A N ASN 509.A O no hydrogen 2.750 N/A LEU 515.A N VAL 512.A O no hydrogen 3.092 N/A PHE 516.A N TRP 513.A O no hydrogen 3.156 N/A LYS 521.A NZ GLU 518.A OE1 no hydrogen 3.247 N/A VAL 522.A N GLU 518.A O no hydrogen 2.978 N/A ARG 523.A N ALA 519.A O no hydrogen 2.906 N/A THR 524.A N ASP 520.A O no hydrogen 2.933 N/A THR 524.A OG1 ASP 520.A O no hydrogen 3.277 N/A THR 524.A OG1 LYS 521.A O no hydrogen 2.463 N/A MET 525.A N LYS 521.A O no hydrogen 2.938 N/A LEU 526.A N VAL 522.A O no hydrogen 2.892 N/A VAL 527.A N ARG 523.A O no hydrogen 2.897 N/A ARG 528.A N THR 524.A O no hydrogen 2.974 N/A LYS 529.A N MET 525.A O no hydrogen 2.958 N/A ILE 530.A N LEU 526.A O no hydrogen 2.885 N/A GLN 531.A N VAL 527.A O no hydrogen 2.874 N/A GLN 531.A NE2 PHE 558.A O no hydrogen 3.236 N/A GLU 532.A N ARG 528.A O no hydrogen 3.008 N/A GLU 533.A N LYS 529.A O no hydrogen 2.914 N/A SER 534.A N ILE 530.A O no hydrogen 2.821 N/A SER 534.A OG ILE 530.A O no hydrogen 2.869 N/A SER 534.A OG GLN 531.A O no hydrogen 2.467 N/A LEU 535.A N GLN 531.A O no hydrogen 2.973 N/A ARG 536.A N GLU 532.A O no hydrogen 2.958 N/A ARG 536.A NH1 GLU 532.A OE1 no hydrogen 2.290 N/A ARG 536.A NH2 GLU 532.A OE2 no hydrogen 3.306 N/A THR 537.A N GLU 533.A O no hydrogen 2.969 N/A THR 537.A OG1 GLU 533.A O no hydrogen 3.417 N/A THR 537.A OG1 SER 534.A O no hydrogen 3.244 N/A TYR 538.A N SER 534.A O no hydrogen 2.850 N/A LEU 539.A N LEU 535.A O no hydrogen 2.978 N/A PHE 540.A N ARG 536.A O no hydrogen 2.940 N/A THR 541.A N THR 537.A O no hydrogen 2.910 N/A TYR 542.A N TYR 538.A O no hydrogen 2.933 N/A SER 543.A OG LEU 539.A O no hydrogen 2.327 N/A TYR 546.A OH TYR 538.A OH no hydrogen 2.565 N/A ILE 549.A N VAL 589.A O no hydrogen 3.017 N/A SER 550.A OG THR 553.A OG1 no hydrogen 2.884 N/A MET 551.A N GLN 587.A O no hydrogen 3.329 N/A GLU 552.A N GLU 552.A OE1 no hydrogen 2.737 N/A THR 553.A OG1 SER 550.A O no hydrogen 2.488 N/A THR 553.A OG1 SER 550.A OG no hydrogen 2.884 N/A LEU 554.A N SER 550.A O no hydrogen 2.999 N/A SER 555.A N MET 551.A O no hydrogen 2.826 N/A SER 555.A OG LEU 560.A O no hydrogen 2.585 N/A ASP 556.A N GLU 552.A O no hydrogen 2.948 N/A MET 557.A N THR 553.A O no hydrogen 2.938 N/A PHE 558.A N LEU 554.A O no hydrogen 2.913 N/A THR 564.A OG1 ASP 561.A O no hydrogen 2.905 N/A THR 564.A OG1 ASP 561.A OD1 no hydrogen 2.491 N/A VAL 565.A N ASP 561.A O no hydrogen 2.956 N/A HIS 566.A N LEU 562.A O no hydrogen 2.950 N/A HIS 566.A ND1 LEU 562.A O no hydrogen 2.299 N/A SER 567.A N PRO 563.A O no hydrogen 2.898 N/A SER 567.A OG PRO 563.A O no hydrogen 3.365 N/A SER 567.A OG THR 564.A O no hydrogen 2.576 N/A ILE 568.A N THR 564.A O no hydrogen 2.953 N/A ILE 569.A N VAL 565.A O no hydrogen 2.941 N/A SER 570.A N HIS 566.A O no hydrogen 2.901 N/A SER 570.A OG HIS 566.A O no hydrogen 3.521 N/A SER 570.A OG SER 567.A O no hydrogen 2.657 N/A LYS 571.A N SER 567.A O no hydrogen 2.916 N/A LYS 571.A NZ ASN 575.A OD1 no hydrogen 3.436 N/A MET 572.A N ILE 568.A O no hydrogen 2.992 N/A ILE 573.A N ILE 569.A O no hydrogen 2.970 N/A ILE 574.A N SER 570.A O no hydrogen 2.921 N/A ASN 575.A N LYS 571.A O no hydrogen 2.986 N/A GLU 576.A N ILE 573.A O no hydrogen 2.963 N/A GLU 577.A N GLU 577.A OE1 no hydrogen 2.981 N/A SER 581.A N VAL 590.A O no hydrogen 2.895 N/A ASP 583.A N THR 588.A O no hydrogen 2.853 N/A THR 586.A OG1 ASP 583.A OD1 no hydrogen 2.829 N/A THR 586.A OG1 ASP 583.A OD2 no hydrogen 3.295 N/A THR 586.A OG1 THR 588.A OG1 no hydrogen 3.420 N/A GLN 587.A N GLN 584.A O no hydrogen 3.185 N/A THR 588.A N ASP 583.A O no hydrogen 2.998 N/A THR 588.A N ASP 583.A OD1 no hydrogen 2.855 N/A THR 588.A OG1 THR 586.A O no hydrogen 3.380 N/A THR 588.A OG1 THR 586.A OG1 no hydrogen 3.420 N/A VAL 589.A N ILE 549.A O no hydrogen 2.945 N/A VAL 590.A N SER 581.A O no hydrogen 2.853 N/A MET 591.A N ASP 547.A O no hydrogen 3.287 N/A HIS 592.A N MET 579.A O no hydrogen 3.008 N/A THR 597.A N GLN 600.A OE1 no hydrogen 2.524 N/A ALA 598.A N THR 597.A OG1 no hydrogen 2.773 N/A ASN 601.A N THR 597.A O no hydrogen 2.943 N/A ASN 601.A ND2 PRO 596.A O no hydrogen 3.197 N/A LEU 602.A N ALA 598.A O no hydrogen 2.896 N/A ALA 603.A N GLN 599.A O no hydrogen 2.830 N/A LEU 604.A N GLN 600.A O no hydrogen 2.931 N/A GLN 605.A N ASN 601.A O no hydrogen 2.968 N/A LEU 606.A N LEU 602.A O no hydrogen 2.873 N/A ALA 607.A N ALA 603.A O no hydrogen 2.916 N/A GLU 608.A N LEU 604.A O no hydrogen 2.981 N/A LYS 609.A N GLN 605.A O no hydrogen 2.878 N/A LEU 610.A N LEU 606.A O no hydrogen 2.967 N/A GLY 611.A N ALA 607.A O no hydrogen 2.947 N/A SER 612.A N GLU 608.A O no hydrogen 3.022 N/A SER 612.A OG LYS 609.A O no hydrogen 2.371 N/A LEU 613.A N LYS 609.A O no hydrogen 2.854 N/A VAL 614.A N LEU 610.A O no hydrogen 2.886 N/A GLU 615.A N GLY 611.A O no hydrogen 2.994 N/A ASN 616.A N SER 612.A O no hydrogen 2.955 N/A ASN 617.A N LEU 613.A O no hydrogen 2.885 N/A GLU 618.A N VAL 614.A O no hydrogen 2.907 N/A ARG 619.A N GLU 615.A O no hydrogen 2.912 N/A VAL 620.A N ASN 616.A O no hydrogen 2.945 N/A PHE 621.A N ASN 617.A O no hydrogen 2.917 N/A ASP 622.A N GLU 618.A O no hydrogen 2.919 N/A HIS 623.A N ARG 619.A O no hydrogen 2.964 N/A LYS 624.A N VAL 620.A O no hydrogen 2.875 N/A GLN 625.A N PHE 621.A O no hydrogen 2.965 N/A