Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8toi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ASN 3.A O no hydrogen 3.236 N/A ASN 3.A ND2 HIS 137.A O no hydrogen 3.453 N/A ASP 7.A N VAL 54.A O no hydrogen 3.130 N/A PHE 8.A N VAL 54.A O no hydrogen 2.978 N/A VAL 9.A N PHE 134.A O no hydrogen 2.886 N/A ILE 10.A N VAL 52.A O no hydrogen 2.906 N/A HIS 11.A N SER 132.A O no hydrogen 3.242 N/A TYR 12.A OH ALA 22.A O no hydrogen 2.489 N/A ALA 22.A N GLU 18.A O no hydrogen 3.057 N/A GLU 23.A N ARG 19.A O no hydrogen 2.609 N/A ALA 24.A N ASP 20.A O no hydrogen 3.061 N/A PHE 26.A N ALA 22.A O no hydrogen 2.656 N/A VAL 27.A N GLU 23.A O no hydrogen 3.135 N/A GLN 28.A N ALA 24.A O no hydrogen 3.065 N/A LEU 29.A N GLY 25.A O no hydrogen 2.862 N/A ILE 30.A N PHE 26.A O no hydrogen 3.120 N/A ARG 31.A N VAL 27.A O no hydrogen 3.023 N/A ARG 31.A NE GLN 28.A OE1 no hydrogen 3.299 N/A ALA 32.A N GLN 28.A O no hydrogen 2.684 N/A LEU 33.A N ILE 30.A O no hydrogen 3.012 N/A THR 34.A N ARG 31.A O no hydrogen 3.014 N/A THR 34.A OG1 ILE 30.A O no hydrogen 2.578 N/A THR 35.A N ARG 31.A O no hydrogen 3.323 N/A THR 35.A OG1 ARG 31.A O no hydrogen 3.454 N/A LEU 38.A N LEU 33.A O no hydrogen 3.287 N/A ALA 39.A N LYS 55.A O no hydrogen 2.863 N/A GLU 41.A N PHE 53.A O no hydrogen 2.901 N/A ARG 43.A N LEU 51.A O no hydrogen 2.767 N/A ARG 43.A NE GLU 447.A OE2 no hydrogen 2.895 N/A ARG 43.A NH1 GLU 41.A OE2 no hydrogen 2.522 N/A ARG 43.A NH1 VAL 42.A O no hydrogen 3.289 N/A ARG 43.A NH2 GLU 447.A OE1 no hydrogen 3.339 N/A ARG 43.A NH2 GLU 447.A OE2 no hydrogen 2.730 N/A SER 49.A N GLY 45.A O no hydrogen 3.333 N/A SER 49.A OG HIS 11.A O no hydrogen 3.231 N/A LEU 50.A N TYR 12.A O no hydrogen 3.207 N/A VAL 52.A N ILE 10.A O no hydrogen 2.958 N/A PHE 53.A N GLU 41.A O no hydrogen 2.881 N/A VAL 54.A N PHE 8.A O no hydrogen 2.894 N/A LYS 55.A N ALA 39.A O no hydrogen 2.954 N/A VAL 56.A N ASP 7.A OD2 no hydrogen 3.203 N/A ALA 63.A N PRO 59.A O no hydrogen 2.887 N/A LYS 64.A N ASP 60.A O no hydrogen 2.908 N/A GLN 65.A N LEU 61.A O no hydrogen 2.927 N/A VAL 66.A N PHE 62.A O no hydrogen 2.897 N/A TYR 67.A N ALA 63.A O no hydrogen 2.915 N/A ARG 68.A N LYS 64.A O no hydrogen 2.900 N/A ALA 69.A N GLN 65.A O no hydrogen 2.888 N/A ARG 70.A N VAL 66.A O no hydrogen 2.922 N/A LEU 71.A N TYR 67.A O no hydrogen 2.934 N/A GLY 72.A N ARG 68.A O no hydrogen 2.892 N/A ASP 73.A N ALA 69.A O no hydrogen 2.939 N/A TRP 74.A N ARG 70.A O no hydrogen 2.923 N/A LEU 75.A N LEU 71.A O no hydrogen 2.956 N/A HIS 76.A N GLY 72.A O no hydrogen 3.381 N/A GLY 77.A N TRP 74.A O no hydrogen 3.436 N/A ARG 79.A N ASP 73.A O no hydrogen 3.039 N/A ARG 79.A NH1 GLU 94.A OE1 no hydrogen 2.938 N/A ARG 79.A NH2 GLU 94.A OE1 no hydrogen 2.589 N/A GLN 89.A N GLN 89.A OE1 no hydrogen 2.673 N/A ASP 93.A N ALA 90.A O no hydrogen 3.114 N/A GLU 94.A N ALA 90.A O no hydrogen 3.286 N/A ALA 99.A N ASP 165.A O no hydrogen 3.148 N/A ARG 101.A N VAL 97.A O no hydrogen 2.945 N/A ARG 101.A NE ASP 7.A OD1 no hydrogen 3.503 N/A ARG 101.A NH2 ASP 7.A OD1 no hydrogen 3.442 N/A LEU 102.A N GLU 98.A O no hydrogen 2.912 N/A ARG 103.A N ALA 99.A O no hydrogen 2.923 N/A LEU 104.A N GLU 100.A O no hydrogen 2.903 N/A ILE 105.A N ARG 101.A O no hydrogen 2.938 N/A TYR 106.A N LEU 102.A O no hydrogen 2.906 N/A LEU 107.A N ARG 103.A O no hydrogen 2.899 N/A MET 108.A N LEU 104.A O no hydrogen 2.884 N/A ILE 109.A N ILE 105.A O no hydrogen 2.922 N/A THR 110.A N TYR 106.A O no hydrogen 2.898 N/A THR 110.A OG1 TYR 106.A O no hydrogen 2.538 N/A LYS 111.A N LEU 107.A O no hydrogen 2.902 N/A GLY 116.A N HIS 113.A O no hydrogen 3.436 N/A VAL 120.A N ILE 109.A O no hydrogen 3.157 N/A THR 121.A OG1 ASN 124.A OD1 no hydrogen 2.766 N/A LYS 128.A N LYS 126.A O no hydrogen 2.853 N/A PHE 134.A N VAL 9.A O no hydrogen 2.944 N/A HIS 137.A N GLU 457.A OE2 no hydrogen 3.020 N/A HIS 137.A NE2 SER 512.A O no hydrogen 3.026 N/A ASN 142.A N SER 138.A O no hydrogen 2.887 N/A ASN 142.A ND2 HIS 137.A ND1 no hydrogen 3.303 N/A ASN 142.A ND2 ALA 509.A O no hydrogen 3.285 N/A LYS 143.A N HIS 139.A O no hydrogen 2.903 N/A LYS 143.A NZ GLU 144.A OE2 no hydrogen 3.443 N/A GLU 144.A N SER 140.A O no hydrogen 2.966 N/A TRP 145.A N PHE 141.A O no hydrogen 2.845 N/A ILE 146.A N ASN 142.A O no hydrogen 2.945 N/A LYS 147.A N LYS 143.A O no hydrogen 2.944 N/A LYS 148.A N GLU 144.A O no hydrogen 2.866 N/A TRP 149.A N TRP 145.A O no hydrogen 2.935 N/A SER 150.A N ILE 146.A O no hydrogen 2.929 N/A SER 150.A OG ILE 146.A O no hydrogen 2.995 N/A SER 151.A N LYS 148.A O no hydrogen 3.434 N/A SER 151.A OG LYS 147.A O no hydrogen 3.192 N/A LYS 152.A NZ ASP 159.A OD1 no hydrogen 3.467 N/A LYS 152.A NZ ASP 159.A OD2 no hydrogen 2.549 N/A THR 158.A OG1 ASP 159.A OD1 no hydrogen 3.257 N/A ASP 161.A N GLN 157.A O no hydrogen 2.898 N/A ASN 162.A N THR 158.A O no hydrogen 2.886 N/A ILE 163.A N ASP 159.A O no hydrogen 2.966 N/A ARG 164.A N ILE 160.A O no hydrogen 2.906 N/A ARG 164.A NE GLU 169.A OE2 no hydrogen 2.662 N/A ARG 164.A NH2 GLU 169.A OE2 no hydrogen 3.266 N/A ASP 165.A N ASP 161.A O no hydrogen 2.872 N/A LYS 166.A N ASN 162.A O no hydrogen 2.951 N/A LYS 166.A NZ GLU 98.A OE2 no hydrogen 3.059 N/A LYS 166.A NZ SER 138.A OG no hydrogen 2.904 N/A PHE 167.A N ILE 163.A O no hydrogen 2.875 N/A SER 170.A N TRP 518.A O no hydrogen 3.268 N/A SER 170.A OG TRP 518.A O no hydrogen 3.014 N/A PHE 173.A N GLU 169.A O no hydrogen 2.871 N/A TYR 174.A N SER 170.A O no hydrogen 2.972 N/A TYR 174.A OH ASP 504.A OD2 no hydrogen 2.318 N/A PHE 175.A N VAL 171.A O no hydrogen 2.941 N/A ALA 176.A N ALA 172.A O no hydrogen 2.876 N/A PHE 177.A N PHE 173.A O no hydrogen 2.907 N/A LEU 178.A N TYR 174.A O no hydrogen 2.879 N/A ARG 179.A N PHE 175.A O no hydrogen 2.901 N/A ARG 179.A NH1 LEU 155.A O no hydrogen 2.425 N/A SER 180.A N ALA 176.A O no hydrogen 2.922 N/A SER 180.A OG GLN 224.A OE1 no hydrogen 3.016 N/A TYR 181.A N PHE 177.A O no hydrogen 2.870 N/A PHE 182.A N LEU 178.A O no hydrogen 2.880 N/A ARG 183.A N ARG 179.A O no hydrogen 2.931 N/A PHE 184.A N SER 180.A O no hydrogen 2.886 N/A SER 189.A N LEU 185.A O no hydrogen 3.218 N/A SER 189.A OG LEU 185.A O no hydrogen 2.553 N/A ALA 190.A N VAL 186.A O no hydrogen 2.891 N/A PHE 191.A N ILE 187.A O no hydrogen 3.023 N/A GLY 192.A N PRO 188.A O no hydrogen 2.770 N/A PHE 193.A N SER 189.A O no hydrogen 2.950 N/A GLY 194.A N ALA 190.A O no hydrogen 2.955 N/A ALA 195.A N PHE 191.A O no hydrogen 2.867 N/A TRP 196.A N GLY 192.A O no hydrogen 2.875 N/A LEU 197.A N PHE 193.A O no hydrogen 2.932 N/A LEU 198.A N GLY 194.A O no hydrogen 2.968 N/A LEU 199.A N ALA 195.A O no hydrogen 3.182 N/A GLN 201.A NE2 SER 408.A OG no hydrogen 3.285 N/A TYR 204.A OH SER 561.A O no hydrogen 3.055 N/A TYR 206.A N SER 203.A OG no hydrogen 3.064 N/A ALA 207.A N SER 203.A O no hydrogen 3.397 N/A LEU 208.A N TYR 204.A O no hydrogen 2.989 N/A LEU 209.A N LEU 205.A O no hydrogen 2.921 N/A CYS 210.A N TYR 206.A O no hydrogen 2.886 N/A CYS 210.A SG TYR 206.A O no hydrogen 3.256 N/A CYS 210.A SG SER 483.A OG no hydrogen 3.549 N/A GLY 211.A N ALA 207.A O no hydrogen 2.993 N/A LEU 212.A N LEU 208.A O no hydrogen 2.963 N/A TRP 213.A N LEU 209.A O no hydrogen 2.875 N/A TRP 213.A NE1 PHE 184.A O no hydrogen 2.491 N/A SER 214.A N CYS 210.A O no hydrogen 2.899 N/A SER 214.A OG CYS 210.A O no hydrogen 2.711 N/A VAL 215.A N GLY 211.A O no hydrogen 3.036 N/A VAL 216.A N LEU 212.A O no hydrogen 2.955 N/A PHE 217.A N TRP 213.A O no hydrogen 2.870 N/A PHE 218.A N SER 214.A O no hydrogen 2.984 N/A GLU 219.A N VAL 215.A O no hydrogen 3.018 N/A TYR 220.A N VAL 216.A O no hydrogen 2.916 N/A TRP 221.A N PHE 217.A O no hydrogen 2.892 N/A LYS 222.A N PHE 218.A O no hydrogen 3.010 N/A LYS 223.A N GLU 219.A O no hydrogen 3.004 N/A LYS 223.A NZ ASP 227.A OD2 no hydrogen 3.043 N/A GLN 224.A N TYR 220.A O no hydrogen 2.878 N/A GLU 225.A N TRP 221.A O no hydrogen 2.842 N/A VAL 226.A N LYS 222.A O no hydrogen 3.030 N/A ASP 227.A N LYS 223.A O no hydrogen 2.992 N/A LEU 228.A N GLN 224.A O no hydrogen 2.870 N/A ALA 229.A N GLU 225.A O no hydrogen 2.898 N/A VAL 230.A N VAL 226.A O no hydrogen 2.982 N/A GLN 231.A N ASP 227.A O no hydrogen 2.922 N/A TRP 232.A N LEU 228.A O no hydrogen 2.909 N/A TRP 232.A NE1 ASP 161.A OD1 no hydrogen 2.801 N/A GLY 233.A N VAL 230.A O no hydrogen 3.347 N/A VAL 234.A N ALA 229.A O no hydrogen 3.040 N/A GLY 236.A N ASP 521.A OD2 no hydrogen 3.311 N/A SER 239.A N GLY 236.A O no hydrogen 3.369 N/A ILE 240.A N VAL 237.A O no hydrogen 3.302 N/A ARG 244.A N ALA 347.A O no hydrogen 2.959 N/A ARG 244.A NH1 TYR 346.A O no hydrogen 3.294 N/A PHE 247.A N ARG 244.A O no hydrogen 3.335 N/A GLU 248.A N ASN 345.A OD1 no hydrogen 3.416 N/A ASP 255.A N GLU 260.A O no hydrogen 3.133 N/A THR 258.A OG1 GLU 260.A OE1 no hydrogen 2.523 N/A VAL 262.A N ALA 253.A O no hydrogen 2.869 N/A VAL 264.A N HIS 251.A O no hydrogen 2.920 N/A LYS 269.A N PRO 266.A O no hydrogen 3.251 N/A ARG 270.A NE ASN 345.A O no hydrogen 2.441 N/A VAL 271.A N PRO 267.A O no hydrogen 2.904 N/A LYS 272.A N MET 268.A O no hydrogen 2.870 N/A THR 273.A N LYS 269.A O no hydrogen 2.951 N/A THR 273.A OG1 LYS 269.A O no hydrogen 3.083 N/A GLN 274.A N ARG 270.A O no hydrogen 2.842 N/A GLN 274.A NE2 GLU 344.A OE2 no hydrogen 3.443 N/A GLN 274.A NE2 TYR 346.A OH no hydrogen 3.329 N/A LEU 275.A N VAL 271.A O no hydrogen 2.913 N/A LEU 276.A N THR 273.A O no hydrogen 3.116 N/A GLN 277.A N GLN 274.A O no hydrogen 3.191 N/A GLN 277.A NE2 GLU 344.A OE1 no hydrogen 3.114 N/A PHE 280.A N LEU 276.A O no hydrogen 3.461 N/A ALA 281.A N GLN 277.A O no hydrogen 2.669 N/A LEU 282.A N ILE 278.A O no hydrogen 2.943 N/A ALA 283.A N PRO 279.A O no hydrogen 2.877 N/A CYS 284.A N PHE 280.A O no hydrogen 2.956 N/A CYS 284.A SG PHE 280.A O no hydrogen 3.286 N/A VAL 285.A N ALA 281.A O no hydrogen 2.902 N/A VAL 286.A N LEU 282.A O no hydrogen 2.914 N/A ALA 287.A N ALA 283.A O no hydrogen 2.924 N/A LEU 288.A N CYS 284.A O no hydrogen 2.933 N/A GLY 289.A N VAL 285.A O no hydrogen 2.864 N/A ALA 290.A N VAL 286.A O no hydrogen 2.915 N/A LEU 291.A N ALA 287.A O no hydrogen 2.983 N/A ILE 292.A N LEU 288.A O no hydrogen 2.914 N/A VAL 293.A N GLY 289.A O no hydrogen 2.887 N/A THR 294.A N ALA 290.A O no hydrogen 2.949 N/A THR 294.A OG1 ALA 290.A O no hydrogen 2.422 N/A CYS 295.A N LEU 291.A O no hydrogen 2.929 N/A CYS 295.A SG LEU 291.A O no hydrogen 3.349 N/A ASN 296.A N ILE 292.A O no hydrogen 2.910 N/A ASN 296.A ND2 GLU 299.A OE2 no hydrogen 2.691 N/A SER 297.A N VAL 293.A O no hydrogen 2.909 N/A SER 297.A OG VAL 293.A O no hydrogen 3.364 N/A SER 297.A OG THR 294.A O no hydrogen 2.826 N/A LEU 298.A N THR 294.A O no hydrogen 2.917 N/A GLU 299.A N CYS 295.A O no hydrogen 2.955 N/A VAL 300.A N ASN 296.A O no hydrogen 2.913 N/A PHE 301.A N SER 297.A O no hydrogen 2.940 N/A ILE 302.A N LEU 298.A O no hydrogen 2.909 N/A ASN 303.A N GLU 299.A O no hydrogen 2.918 N/A GLU 304.A N VAL 300.A O no hydrogen 2.900 N/A VAL 305.A N PHE 301.A O no hydrogen 2.925 N/A TYR 306.A N ILE 302.A O no hydrogen 2.879 N/A LYS 311.A NZ ASN 303.A O no hydrogen 2.740 N/A LEU 314.A N GLY 310.A O no hydrogen 2.588 N/A THR 319.A OG1 GLU 299.A OE1 no hydrogen 2.752 N/A ILE 320.A N PHE 316.A O no hydrogen 2.786 N/A PHE 321.A N LEU 317.A O no hydrogen 2.881 N/A LEU 322.A N PRO 318.A O no hydrogen 2.883 N/A VAL 323.A N THR 319.A O no hydrogen 2.965 N/A ILE 324.A N ILE 320.A O no hydrogen 2.898 N/A GLY 325.A N PHE 321.A O no hydrogen 2.873 N/A THR 326.A N LEU 322.A O no hydrogen 2.902 N/A THR 326.A OG1 THR 367.A OG1 no hydrogen 2.639 N/A THR 328.A N GLY 325.A O no hydrogen 3.182 N/A THR 328.A OG1 GLY 325.A O no hydrogen 3.026 N/A SER 330.A N THR 326.A O no hydrogen 2.882 N/A GLY 331.A N PRO 327.A O no hydrogen 2.860 N/A VAL 332.A N THR 328.A O no hydrogen 2.984 N/A LEU 333.A N ILE 329.A O no hydrogen 2.953 N/A MET 334.A N SER 330.A O no hydrogen 2.848 N/A GLY 335.A N GLY 331.A O no hydrogen 2.947 N/A ALA 336.A N VAL 332.A O no hydrogen 2.969 N/A ALA 337.A N LEU 333.A O no hydrogen 2.902 N/A GLU 338.A N MET 334.A O no hydrogen 2.878 N/A LYS 339.A N GLY 335.A O no hydrogen 2.954 N/A LEU 340.A N ALA 336.A O no hydrogen 2.917 N/A ASN 341.A N ALA 337.A O no hydrogen 2.878 N/A ASN 341.A ND2 HIS 352.A O no hydrogen 2.978 N/A ALA 342.A N GLU 338.A O no hydrogen 2.912 N/A MET 343.A N LYS 339.A O no hydrogen 2.925 N/A GLU 344.A N LEU 340.A O no hydrogen 2.820 N/A ASN 345.A ND2 GLU 248.A O no hydrogen 2.718 N/A TYR 346.A OH GLU 344.A OE2 no hydrogen 2.361 N/A THR 348.A OG1 ASP 350.A OD1 no hydrogen 2.812 N/A VAL 349.A N GLN 242.A O no hydrogen 3.153 N/A HIS 352.A N THR 348.A O no hydrogen 3.372 N/A ASP 353.A N VAL 349.A O no hydrogen 2.913 N/A ALA 354.A N ASP 350.A O no hydrogen 2.891 N/A ALA 355.A N ALA 351.A O no hydrogen 2.933 N/A LEU 356.A N HIS 352.A O no hydrogen 2.967 N/A ILE 357.A N ASP 353.A O no hydrogen 2.879 N/A GLN 358.A N ALA 354.A O no hydrogen 2.913 N/A LYS 359.A N ALA 355.A O no hydrogen 3.004 N/A LYS 359.A NZ ASN 341.A OD1 no hydrogen 2.893 N/A LYS 359.A NZ GLU 344.A OE1 no hydrogen 3.333 N/A LYS 359.A NZ ALA 355.A O no hydrogen 3.434 N/A GLN 360.A N LEU 356.A O no hydrogen 2.922 N/A PHE 361.A N ILE 357.A O no hydrogen 2.841 N/A VAL 362.A N GLN 358.A O no hydrogen 2.991 N/A LEU 363.A N LYS 359.A O no hydrogen 3.026 N/A ASN 364.A N GLN 360.A O no hydrogen 2.917 N/A ASN 364.A ND2 ASN 364.A O no hydrogen 2.608 N/A PHE 365.A N PHE 361.A O no hydrogen 2.840 N/A MET 366.A N VAL 362.A O no hydrogen 3.018 N/A THR 367.A N LEU 363.A O no hydrogen 2.995 N/A THR 367.A OG1 THR 326.A OG1 no hydrogen 2.639 N/A SER 368.A OG ASN 364.A O no hydrogen 2.552 N/A TYR 369.A N PHE 365.A O no hydrogen 2.938 N/A TYR 369.A N MET 366.A O no hydrogen 3.393 N/A TYR 369.A OH MET 474.A O no hydrogen 2.708 N/A MET 370.A N MET 366.A O no hydrogen 2.980 N/A PHE 373.A N TYR 369.A O no hydrogen 2.899 N/A PHE 374.A N MET 370.A O no hydrogen 2.906 N/A THR 375.A N ALA 371.A O no hydrogen 2.955 N/A THR 375.A OG1 ALA 371.A O no hydrogen 2.964 N/A THR 375.A OG1 GLN 410.A OE1 no hydrogen 2.704 N/A ALA 376.A N LEU 372.A O no hydrogen 2.903 N/A PHE 377.A N PHE 373.A O no hydrogen 2.926 N/A VAL 378.A N PHE 374.A O no hydrogen 3.099 N/A TYR 379.A N PHE 374.A O no hydrogen 2.765 N/A ILE 380.A N THR 375.A O no hydrogen 3.290 N/A HIS 387.A ND1 HIS 384.A O no hydrogen 3.080 N/A ASN 391.A N HIS 387.A O no hydrogen 2.951 N/A PHE 392.A N PRO 388.A O no hydrogen 2.893 N/A TRP 393.A N PHE 389.A O no hydrogen 2.913 N/A TRP 393.A NE1 SER 297.A OG no hydrogen 2.829 N/A ARG 394.A N LEU 390.A O no hydrogen 2.874 N/A ARG 394.A NH2 GLU 304.A OE1 no hydrogen 2.833 N/A ARG 394.A NH2 GLU 304.A OE2 no hydrogen 3.005 N/A ALA 395.A N ASN 391.A O no hydrogen 2.929 N/A THR 396.A N PHE 392.A O no hydrogen 2.900 N/A THR 396.A OG1 PHE 392.A O no hydrogen 2.525 N/A ALA 397.A N TRP 393.A O no hydrogen 2.900 N/A GLN 398.A N ARG 394.A O no hydrogen 2.913 N/A THR 399.A N THR 396.A O no hydrogen 3.402 N/A THR 399.A OG1 THR 396.A O no hydrogen 2.942 N/A SER 408.A OG ALA 485.A O no hydrogen 3.150 N/A ASN 409.A ND2 ALA 405.A O no hydrogen 3.106 N/A GLN 410.A N ARG 406.A O no hydrogen 2.981 N/A GLN 410.A NE2 THR 319.A OG1 no hydrogen 3.331 N/A MET 411.A N ILE 407.A O no hydrogen 3.287 N/A PHE 412.A N SER 408.A O no hydrogen 3.199 N/A TYR 413.A N ASN 409.A O no hydrogen 3.117 N/A PHE 414.A N GLN 410.A O no hydrogen 2.792 N/A THR 415.A N MET 411.A O no hydrogen 2.793 N/A THR 415.A N PHE 412.A O no hydrogen 3.004 N/A THR 415.A OG1 MET 411.A O no hydrogen 2.901 N/A VAL 416.A N PHE 412.A O no hydrogen 3.012 N/A THR 417.A OG1 TYR 413.A O no hydrogen 2.624 N/A ALA 418.A N PHE 414.A O no hydrogen 3.145 N/A GLN 419.A N THR 415.A O no hydrogen 2.739 N/A ILE 420.A N THR 417.A O no hydrogen 2.929 N/A VAL 421.A N THR 417.A O no hydrogen 2.979 N/A ASN 422.A N ALA 418.A O no hydrogen 3.417 N/A ALA 424.A N VAL 421.A O no hydrogen 2.934 N/A THR 425.A N VAL 421.A O no hydrogen 2.783 N/A THR 425.A OG1 VAL 421.A O no hydrogen 3.058 N/A VAL 429.A N ALA 424.A O no hydrogen 3.039 N/A TYR 431.A N VAL 427.A O no hydrogen 3.306 N/A ILE 432.A N VAL 428.A O no hydrogen 2.889 N/A LYS 433.A N VAL 429.A O no hydrogen 2.931 N/A GLN 434.A N PRO 430.A O no hydrogen 2.886 N/A GLN 434.A NE2 TYR 431.A O no hydrogen 3.107 N/A GLN 435.A N TYR 431.A O no hydrogen 2.934 N/A ALA 436.A N ILE 432.A O no hydrogen 2.885 N/A PHE 437.A N LYS 433.A O no hydrogen 2.927 N/A GLN 438.A N GLN 434.A O no hydrogen 2.877 N/A LYS 439.A N GLN 435.A O no hydrogen 2.904 N/A ALA 440.A N ALA 436.A O no hydrogen 3.134 N/A LYS 441.A N GLN 438.A O no hydrogen 3.377 N/A HIS 444.A ND1 GLU 447.A OE2 no hydrogen 2.928 N/A LEU 451.A N GLU 447.A O no hydrogen 2.983 N/A GLN 452.A N ALA 448.A O no hydrogen 2.894 N/A ARG 453.A N GLU 449.A O no hydrogen 2.915 N/A ARG 453.A NH1 ASN 3.A OD1 no hydrogen 3.066 N/A ARG 453.A NH2 ASN 3.A OD1 no hydrogen 3.569 N/A VAL 454.A N PHE 450.A O no hydrogen 2.929 N/A ARG 455.A N LEU 451.A O no hydrogen 2.879 N/A ARG 455.A NE HIS 44.A O no hydrogen 3.262 N/A ARG 455.A NH1 ASP 443.A OD2 no hydrogen 2.497 N/A ARG 455.A NH2 HIS 44.A O no hydrogen 3.206 N/A ARG 455.A NH2 ASP 443.A OD1 no hydrogen 3.301 N/A ARG 455.A NH2 ASP 443.A OD2 no hydrogen 3.099 N/A GLU 456.A N GLN 452.A O no hydrogen 2.937 N/A GLU 457.A N ARG 453.A O no hydrogen 2.920 N/A CYS 458.A N VAL 454.A O no hydrogen 3.275 N/A CYS 458.A SG VAL 454.A O no hydrogen 3.859 N/A CYS 458.A SG ARG 455.A O no hydrogen 3.229 N/A THR 459.A OG1 GLU 456.A O no hydrogen 3.109 N/A LEU 460.A N GLU 457.A O no hydrogen 3.289 N/A TYR 463.A OH ASP 468.A OD2 no hydrogen 2.509 N/A SER 466.A OG ASP 464.A OD1 no hydrogen 3.223 N/A SER 466.A OG ASP 464.A OD2 no hydrogen 2.940 N/A TYR 469.A N VAL 465.A O no hydrogen 2.992 N/A ARG 470.A N SER 466.A O no hydrogen 2.849 N/A ARG 470.A NH1 ASN 364.A OD1 no hydrogen 3.380 N/A GLU 471.A N GLY 467.A O no hydrogen 2.922 N/A MET 472.A N ASP 468.A O no hydrogen 3.026 N/A VAL 473.A N TYR 469.A O no hydrogen 2.897 N/A MET 474.A N ARG 470.A O no hydrogen 2.929 N/A GLN 475.A N GLU 471.A O no hydrogen 2.986 N/A GLN 475.A NE2 TYR 181.A OH no hydrogen 3.539 N/A GLN 475.A NE2 ASN 497.A OD1 no hydrogen 2.601 N/A PHE 476.A N MET 472.A O no hydrogen 2.938 N/A GLY 477.A N VAL 473.A O no hydrogen 2.916 N/A TYR 478.A N MET 474.A O no hydrogen 2.931 N/A TYR 478.A OH SER 368.A O no hydrogen 3.096 N/A VAL 479.A N GLN 475.A O no hydrogen 3.048 N/A ALA 480.A N PHE 476.A O no hydrogen 2.852 N/A MET 481.A N GLY 477.A O no hydrogen 2.950 N/A PHE 482.A N TYR 478.A O no hydrogen 2.958 N/A SER 483.A OG VAL 479.A O no hydrogen 2.461 N/A ALA 489.A N TRP 486.A O no hydrogen 3.350 N/A CYS 491.A SG SER 189.A O no hydrogen 3.317 N/A CYS 492.A N LEU 488.A O no hydrogen 3.247 N/A CYS 492.A SG LEU 488.A O no hydrogen 3.496 N/A PHE 493.A N ALA 489.A O no hydrogen 2.874 N/A LEU 494.A N ALA 490.A O no hydrogen 2.723 N/A VAL 495.A N CYS 491.A O no hydrogen 3.168 N/A ASN 496.A N CYS 492.A O no hydrogen 2.924 N/A ASN 496.A ND2 GLN 475.A OE1 no hydrogen 3.034 N/A ASN 496.A ND2 ASN 497.A OD1 no hydrogen 3.699 N/A ASN 497.A N PHE 493.A O no hydrogen 2.725 N/A TRP 498.A N LEU 494.A O no hydrogen 3.119 N/A TRP 498.A NE1 TYR 153.A O no hydrogen 2.799 N/A VAL 499.A N VAL 495.A O no hydrogen 3.129 N/A GLU 500.A N ASN 496.A O no hydrogen 2.750 N/A LEU 501.A N ASN 497.A O no hydrogen 3.062 N/A ARG 502.A N VAL 499.A O no hydrogen 2.977 N/A ARG 502.A NE TRP 149.A O no hydrogen 2.552 N/A ARG 502.A NH2 TRP 149.A O no hydrogen 2.930 N/A SER 503.A N VAL 499.A O no hydrogen 2.612 N/A SER 503.A OG VAL 499.A O no hydrogen 3.249 N/A SER 503.A OG GLU 500.A O no hydrogen 3.358 N/A ASP 504.A N GLU 500.A O no hydrogen 2.833 N/A LEU 506.A N ARG 502.A O no hydrogen 2.820 N/A LYS 507.A N SER 503.A O no hydrogen 2.753 N/A LYS 507.A NZ GLU 426.A OE2 no hydrogen 2.716 N/A LYS 507.A NZ ASP 468.A OD1 no hydrogen 2.477 N/A LYS 507.A NZ ASP 468.A OD2 no hydrogen 3.265 N/A ILE 508.A N ASP 504.A O no hydrogen 2.997 N/A ILE 508.A N ALA 505.A O no hydrogen 3.003 N/A ALA 509.A N LEU 506.A O no hydrogen 2.969 N/A ILE 510.A N LEU 506.A O no hydrogen 3.000 N/A SER 512.A OG LYS 507.A O no hydrogen 3.165 N/A ARG 513.A N GLU 461.A O no hydrogen 3.337 N/A ARG 513.A NE LEU 460.A O no hydrogen 3.065 N/A ARG 513.A NH2 LEU 460.A O no hydrogen 2.452 N/A ARG 514.A NH1 GLU 98.A OE2 no hydrogen 2.919 N/A ARG 514.A NH1 LEU 136.A O no hydrogen 3.071 N/A ARG 514.A NH2 GLU 98.A OE2 no hydrogen 2.745 N/A ARG 514.A NH2 LYS 166.A O no hydrogen 2.918 N/A ARG 519.A NH1 ASP 73.A OD1 no hydrogen 3.139 N/A ARG 519.A NH1 ASP 73.A OD2 no hydrogen 2.635 N/A SER 522.A OG GLU 225.A OE1 no hydrogen 2.830 N/A SER 522.A OG GLU 225.A OE2 no hydrogen 2.757 N/A GLY 524.A N SER 522.A OG no hydrogen 3.129 N/A LEU 527.A N GLY 524.A O no hydrogen 2.975 N/A ALA 529.A N PRO 525.A O no hydrogen 3.161 N/A LEU 530.A N TRP 526.A O no hydrogen 2.759 N/A SER 531.A N LEU 527.A O no hydrogen 2.845 N/A PHE 532.A N THR 528.A O no hydrogen 2.839 N/A LEU 533.A N ALA 529.A O no hydrogen 2.763 N/A SER 534.A N LEU 530.A O no hydrogen 2.724 N/A SER 534.A N SER 531.A O no hydrogen 3.055 N/A SER 534.A OG LEU 530.A O no hydrogen 2.995 N/A TRP 535.A N SER 531.A O no hydrogen 3.044 N/A TRP 535.A NE1 GLU 566.A OE2 no hydrogen 3.143 N/A LEU 536.A N PHE 532.A O no hydrogen 3.011 N/A SER 538.A N SER 534.A O no hydrogen 3.429 N/A SER 538.A OG TRP 535.A O no hydrogen 2.353 N/A ILE 539.A N TRP 535.A O no hydrogen 3.315 N/A THR 540.A N LEU 536.A O no hydrogen 2.685 N/A THR 540.A N GLY 537.A O no hydrogen 3.023 N/A THR 540.A OG1 LEU 536.A O no hydrogen 2.843 N/A SER 541.A N GLY 537.A O no hydrogen 2.959 N/A SER 541.A OG GLY 537.A O no hydrogen 2.923 N/A SER 542.A OG SER 538.A O no hydrogen 3.482 N/A ILE 544.A N THR 540.A O no hydrogen 3.032 N/A VAL 545.A N SER 541.A O no hydrogen 3.065 N/A TYR 546.A N SER 542.A O no hydrogen 3.027 N/A TYR 546.A OH LYS 554.A O no hydrogen 2.852 N/A LEU 547.A N ALA 543.A O no hydrogen 2.825 N/A CYS 548.A N ILE 544.A O no hydrogen 2.933 N/A CYS 548.A SG PRO 404.A O no hydrogen 3.438 N/A CYS 548.A SG ILE 544.A O no hydrogen 3.306 N/A SER 549.A OG VAL 545.A O no hydrogen 2.814 N/A SER 551.A OG PRO 552.A O no hydrogen 3.344 N/A LYS 554.A N TYR 546.A OH no hydrogen 2.920 N/A LEU 558.A N LYS 554.A O no hydrogen 3.506 N/A LEU 559.A N ALA 555.A O no hydrogen 2.932 N/A LEU 560.A N TRP 556.A O no hydrogen 2.886 N/A SER 561.A N GLY 557.A O no hydrogen 2.925 N/A SER 561.A OG GLY 557.A O no hydrogen 3.059 N/A ILE 562.A N LEU 558.A O no hydrogen 2.952 N/A LEU 563.A N LEU 559.A O no hydrogen 2.899 N/A PHE 564.A N LEU 560.A O no hydrogen 2.899 N/A ALA 565.A N SER 561.A O no hydrogen 2.949 N/A GLU 566.A N ILE 562.A O no hydrogen 2.941 N/A HIS 567.A N LEU 563.A O no hydrogen 2.959 N/A PHE 568.A N PHE 564.A O no hydrogen 2.871 N/A TYR 569.A N ALA 565.A O no hydrogen 2.929 N/A LEU 570.A N GLU 566.A O no hydrogen 2.953 N/A VAL 571.A N HIS 567.A O no hydrogen 2.915 N/A VAL 572.A N PHE 568.A O no hydrogen 2.902 N/A GLN 573.A N TYR 569.A O no hydrogen 2.880 N/A LEU 574.A N LEU 570.A O no hydrogen 2.951 N/A ALA 575.A N VAL 571.A O no hydrogen 2.915 N/A VAL 576.A N VAL 572.A O no hydrogen 2.879 N/A ARG 577.A N GLN 573.A O no hydrogen 2.944 N/A ARG 577.A NE GLU 219.A OE2 no hydrogen 2.931 N/A PHE 578.A N LEU 574.A O no hydrogen 2.912 N/A VAL 579.A N ALA 575.A O no hydrogen 2.904 N/A LEU 580.A N VAL 576.A O no hydrogen 2.892 N/A SER 581.A OG PHE 578.A O no hydrogen 3.132 N/A LYS 582.A N VAL 579.A O no hydrogen 2.970 N/A GLN 589.A N SER 585.A O no hydrogen 3.323 N/A LYS 590.A N PRO 586.A O no hydrogen 2.891 N/A GLU 591.A N GLY 587.A O no hydrogen 2.914 N/A ARG 592.A N LEU 588.A O no hydrogen 2.881 N/A LYS 593.A N GLN 589.A O no hydrogen 2.962 N/A GLU 594.A N LYS 590.A O no hydrogen 2.865 N/A ARG 595.A N GLU 591.A O no hydrogen 2.864 N/A PHE 596.A N ARG 592.A O no hydrogen 2.953 N/A GLN 597.A N LYS 593.A O no hydrogen 2.877 N/A THR 598.A N GLU 594.A O no hydrogen 2.864 N/A THR 598.A OG1 GLU 594.A O no hydrogen 2.486 N/A THR 598.A OG1 ARG 595.A O no hydrogen 3.480 N/A THR 604.A N SER 600.A O no hydrogen 2.926 N/A THR 604.A OG1 SER 600.A O no hydrogen 3.042 N/A THR 604.A OG1 GLU 601.A O no hydrogen 2.729 N/A ARG 605.A N GLU 601.A O no hydrogen 2.910 N/A GLU 606.A N LYS 602.A O no hydrogen 2.876 N/A ALA 607.A N ILE 603.A O no hydrogen 2.944 N/A LEU 608.A N THR 604.A O no hydrogen 2.912 N/A GLU 609.A N ARG 605.A O no hydrogen 2.863 N/A GLU 610.A N GLU 606.A O no hydrogen 2.914 N/A GLU 611.A N ALA 607.A O no hydrogen 2.938 N/A ALA 612.A N LEU 608.A O no hydrogen 2.875 N/A ARG 613.A N GLU 609.A O no hydrogen 2.899 N/A GLN 614.A N GLU 610.A O no hydrogen 2.919 N/A ALA 615.A N GLU 611.A O no hydrogen 2.901 N/A SER 616.A N ALA 612.A O no hydrogen 2.883 N/A SER 616.A OG ALA 612.A O no hydrogen 3.305 N/A SER 616.A OG ARG 613.A O no hydrogen 2.804 N/A ILE 617.A N ARG 613.A O no hydrogen 2.920 N/A GLU 623.A N GLY 619.A O no hydrogen 3.149 N/A MET 624.A N THR 620.A O no hydrogen 2.924 N/A PHE 625.A N PRO 621.A O no hydrogen 2.913 N/A TRP 626.A N GLU 623.A O no hydrogen 3.002 N/A GLN 627.A N GLU 623.A O no hydrogen 2.904 N/A GLN 627.A NE2 LEU 608.A O no hydrogen 3.194 N/A ARG 628.A NE MET 624.A O no hydrogen 2.869 N/A ARG 628.A NH2 MET 624.A O no hydrogen 3.160 N/A ARG 630.A N GLU 634.A OE2 no hydrogen 2.977 N/A GLY 631.A N GLU 634.A OE2 no hydrogen 2.593 N/A GLN 633.A NE2 GLU 637.A OE2 no hydrogen 2.749 N/A GLU 634.A N GLU 634.A OE1 no hydrogen 3.115 N/A THR 635.A OG1 GLY 631.A O no hydrogen 3.187 N/A GLU 637.A N GLN 633.A O no hydrogen 3.055 N/A GLU 637.A N GLU 637.A OE1 no hydrogen 3.141 N/A ILE 638.A N GLU 634.A O no hydrogen 2.959 N/A GLY 639.A N THR 635.A O no hydrogen 2.883 N/A ARG 640.A N ILE 636.A O no hydrogen 2.935 N/A ARG 641.A N GLU 637.A O no hydrogen 2.851 N/A MET 642.A N ILE 638.A O no hydrogen 2.854 N/A ILE 643.A N GLY 639.A O no hydrogen 2.950 N/A GLU 644.A N ARG 640.A O no hydrogen 2.882 N/A GLN 645.A N ARG 641.A O no hydrogen 2.879 N/A GLN 646.A N ILE 643.A O no hydrogen 3.291 N/A GLN 646.A NE2 MET 642.A O no hydrogen 3.612 N/A