Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ced_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N LYS 1.A O no hydrogen 3.102 N/A GLU 6.A N GLU 2.A O no hydrogen 2.940 N/A LYS 7.A N ALA 3.A O no hydrogen 3.150 N/A LEU 8.A N PHE 4.A O no hydrogen 2.998 N/A LEU 9.A N MET 5.A O no hydrogen 3.045 N/A SER 10.A N GLU 6.A O no hydrogen 2.838 N/A PHE 11.A N LYS 7.A O no hydrogen 3.310 N/A MET 12.A N LEU 8.A O no hydrogen 3.028 N/A LYS 13.A N LEU 9.A O no hydrogen 2.849 N/A GLU 14.A N PHE 11.A O no hydrogen 3.336 N/A TYR 17.A N GLU 14.A O no hydrogen 2.968 N/A TYR 17.A OH TYR 61.A O no hydrogen 2.710 N/A LEU 20.A N TYR 61.A O no hydrogen 3.262 N/A THR 21.A N GLU 24.A OE2 no hydrogen 3.352 N/A GLU 24.A N THR 21.A OG1 no hydrogen 3.201 N/A LEU 25.A N THR 21.A O no hydrogen 3.072 N/A GLU 26.A N VAL 22.A O no hydrogen 2.922 N/A GLU 27.A N GLN 23.A O no hydrogen 2.999 N/A MET 28.A N GLU 24.A O no hydrogen 3.336 N/A LEU 29.A N LEU 25.A O no hydrogen 3.025 N/A ASN 30.A N GLU 27.A O no hydrogen 3.239 N/A ILE 31.A N GLU 26.A O no hydrogen 3.004 N/A PHE 37.A N GLU 33.A O no hydrogen 3.311 N/A LYS 38.A N ALA 34.A O no hydrogen 3.228 N/A GLU 39.A N GLU 35.A O no hydrogen 3.086 N/A LEU 40.A N GLU 36.A O no hydrogen 3.068 N/A VAL 41.A N PHE 37.A O no hydrogen 3.209 N/A LYS 42.A N LYS 38.A O no hydrogen 2.972 N/A ALA 43.A N GLU 39.A O no hydrogen 2.750 N/A LEU 44.A N LEU 40.A O no hydrogen 2.818 N/A VAL 45.A N VAL 41.A O no hydrogen 3.095 N/A ALA 46.A N LYS 42.A O no hydrogen 3.193 N/A LEU 47.A N ALA 43.A O no hydrogen 2.898 N/A GLU 48.A N LEU 44.A O no hydrogen 2.983 N/A GLU 49.A N VAL 45.A O no hydrogen 2.923 N/A LYS 50.A N ALA 46.A O no hydrogen 3.152 N/A GLY 51.A N GLU 48.A O no hydrogen 3.278 N/A LEU 52.A N LEU 47.A O no hydrogen 2.986 N/A ILE 53.A N LEU 47.A O no hydrogen 3.473 N/A VAL 54.A N GLY 62.A O no hydrogen 2.841 N/A ARG 55.A NE ASP 59.A OD1 no hydrogen 2.866 N/A ARG 55.A NH2 ASP 59.A OD1 no hydrogen 2.748 N/A THR 56.A N ARG 60.A O no hydrogen 2.890 N/A THR 56.A OG1 SER 58.A OG no hydrogen 3.108 N/A THR 56.A OG1 ARG 60.A O no hydrogen 3.176 N/A SER 58.A OG THR 56.A OG1 no hydrogen 3.108 N/A SER 58.A OG SER 90.A O no hydrogen 2.640 N/A ASP 59.A N THR 56.A O no hydrogen 2.729 N/A ARG 60.A N THR 56.A OG1 no hydrogen 3.255 N/A ARG 60.A NH1 PRO 19.A O no hydrogen 3.073 N/A ARG 60.A NH2 GLU 24.A OE1 no hydrogen 2.967 N/A TYR 61.A N LEU 20.A O no hydrogen 2.767 N/A GLY 62.A N VAL 54.A O no hydrogen 2.882 N/A LYS 66.A NZ LYS 13.A O no hydrogen 2.791 N/A MET 67.A N PRO 64.A O no hydrogen 2.217 N/A ASN 68.A N PRO 64.A O no hydrogen 2.222 N/A ILE 70.A N VAL 112.A O no hydrogen 2.840 N/A LYS 71.A NZ GLU 87.A OE1 no hydrogen 2.998 N/A GLY 72.A N VAL 110.A O no hydrogen 3.132 N/A LYS 73.A N LEU 85.A O no hydrogen 2.817 N/A ILE 74.A N ASP 108.A O no hydrogen 2.913 N/A SER 75.A N PHE 83.A O no hydrogen 2.899 N/A ALA 76.A N ASN 106.A OD1 no hydrogen 2.861 N/A HIS 77.A N PHE 81.A O no hydrogen 3.197 N/A LYS 79.A N HIS 77.A ND1 no hydrogen 3.256 N/A GLY 80.A N HIS 77.A O no hydrogen 3.337 N/A ALA 82.A N ILE 96.A O no hydrogen 2.969 N/A PHE 83.A N SER 75.A O no hydrogen 3.106 N/A LEU 84.A N VAL 94.A O no hydrogen 2.752 N/A LEU 85.A N LYS 73.A O no hydrogen 2.749 N/A GLU 87.A N LYS 71.A O no hydrogen 3.328 N/A SER 90.A OG ASP 88.A OD1 no hydrogen 2.872 N/A LEU 91.A N ASP 88.A O no hydrogen 3.019 N/A VAL 94.A N LEU 84.A O no hydrogen 3.180 N/A PHE 95.A N GLN 123.A O no hydrogen 2.836 N/A ILE 96.A N ALA 82.A O no hydrogen 2.735 N/A GLU 100.A N PRO 97.A O no hydrogen 3.049 N/A ASN 102.A ND2 VAL 127.A O no hydrogen 2.784 N/A THR 103.A OG1 ASN 102.A O no hydrogen 2.649 N/A ALA 104.A N LEU 101.A O no hydrogen 3.149 N/A MET 105.A N ASP 108.A OD2 no hydrogen 2.775 N/A GLY 107.A N ILE 74.A O no hydrogen 2.866 N/A ASP 108.A N MET 105.A O no hydrogen 3.297 N/A ILE 109.A N GLU 132.A O no hydrogen 3.158 N/A VAL 110.A N GLY 72.A O no hydrogen 2.892 N/A MET 111.A N ARG 129.A O no hydrogen 2.922 N/A VAL 112.A N ILE 70.A O no hydrogen 3.078 N/A ARG 113.A N THR 126.A O no hydrogen 2.743 N/A LEU 114.A N ASN 68.A O no hydrogen 3.094 N/A ASN 115.A N GLU 124.A O no hydrogen 3.047 N/A SER 118.A OG GLY 120.A O no hydrogen 3.056 N/A SER 118.A OG ARG 122.A O no hydrogen 2.528 N/A SER 119.A N GLU 124.A OE1 no hydrogen 3.204 N/A SER 119.A OG GLU 124.A OE1 no hydrogen 2.600 N/A GLY 120.A N SER 118.A OG no hydrogen 3.171 N/A GLY 125.A N PHE 95.A O no hydrogen 3.002 N/A THR 126.A N ARG 113.A O no hydrogen 2.814 N/A THR 126.A OG1 GLU 100.A OE2 no hydrogen 2.717 N/A VAL 127.A N GLU 100.A O no hydrogen 2.954 N/A ILE 128.A N MET 111.A O no hydrogen 2.988 N/A ARG 129.A N MET 111.A O no hydrogen 3.387 N/A LEU 131.A N ILE 109.A O no hydrogen 2.806 N/A GLU 132.A N ILE 109.A O no hydrogen 3.097 N/A ARG 133.A NH1 THR 103.A O no hydrogen 2.680 N/A ARG 133.A NH1 ASP 108.A OD2 no hydrogen 3.141 N/A ARG 133.A NH2 THR 103.A OG1 no hydrogen 3.334 N/A ALA 134.A N ASP 108.A OD1 no hydrogen 2.862 N/A ARG 137.A NE GLU 197.A OE2 no hydrogen 2.762 N/A ARG 137.A NH2 GLU 197.A OE1 no hydrogen 2.848 N/A VAL 138.A N VAL 180.A O no hydrogen 2.835 N/A GLY 140.A N VAL 178.A O no hydrogen 3.001 N/A THR 141.A N ILE 152.A O no hydrogen 2.850 N/A TYR 142.A N HIS 176.A O no hydrogen 2.672 N/A THR 143.A N PHE 150.A O no hydrogen 2.766 N/A GLU 144.A N GLU 174.A OE2 no hydrogen 2.817 N/A THR 145.A N PHE 148.A O no hydrogen 2.932 N/A THR 145.A OG1 PHE 148.A O no hydrogen 2.701 N/A GLY 149.A N ILE 164.A O no hydrogen 3.080 N/A PHE 150.A N THR 143.A O no hydrogen 2.995 N/A VAL 151.A N ILE 162.A O no hydrogen 2.889 N/A ILE 152.A N THR 141.A O no hydrogen 2.816 N/A ASP 154.A N VAL 139.A O no hydrogen 3.021 N/A LYS 157.A N ASP 155.A OD1 no hydrogen 3.321 N/A ILE 158.A N ASP 155.A O no hydrogen 3.183 N/A ILE 162.A N VAL 151.A O no hydrogen 3.079 N/A PHE 163.A N ALA 192.A O no hydrogen 2.867 N/A ILE 164.A N GLY 149.A O no hydrogen 2.880 N/A GLY 168.A N PRO 165.A O no hydrogen 2.849 N/A LYS 169.A NZ GLU 144.A OE1 no hydrogen 2.906 N/A ASN 170.A ND2 VAL 196.A O no hydrogen 2.692 N/A ALA 172.A N LYS 169.A O no hydrogen 3.335 N/A ALA 173.A N HIS 176.A ND1 no hydrogen 3.520 N/A GLY 175.A N TYR 142.A O no hydrogen 3.016 N/A HIS 176.A N ALA 173.A O no hydrogen 3.126 N/A LYS 177.A N GLY 201.A O no hydrogen 3.125 N/A LYS 177.A NZ THR 141.A OG1 no hydrogen 2.879 N/A LYS 177.A NZ ASP 154.A OD1 no hydrogen 2.933 N/A LYS 177.A NZ ASP 154.A OD2 no hydrogen 3.544 N/A VAL 178.A N GLY 140.A O no hydrogen 2.757 N/A VAL 179.A N THR 198.A O no hydrogen 2.751 N/A VAL 180.A N VAL 138.A O no hydrogen 2.703 N/A LYS 181.A N GLU 195.A O no hydrogen 2.827 N/A LEU 182.A N GLN 136.A O no hydrogen 2.888 N/A THR 183.A N GLU 193.A O no hydrogen 2.994 N/A SER 184.A N GLU 193.A O no hydrogen 3.167 N/A TYR 185.A OH ILE 135.A O no hydrogen 2.753 N/A GLU 187.A N MET 190.A O no hydrogen 3.058 N/A MET 190.A N GLU 187.A O no hydrogen 2.885 N/A ASN 191.A ND2 ASP 161.A O no hydrogen 3.270 N/A GLU 193.A N SER 184.A O no hydrogen 3.091 N/A GLU 193.A N SER 184.A OG no hydrogen 3.284 N/A GLY 194.A N PHE 163.A O no hydrogen 2.931 N/A GLU 195.A N LYS 181.A O no hydrogen 2.968 N/A VAL 196.A N GLY 168.A O no hydrogen 2.795 N/A GLU 197.A N VAL 179.A O no hydrogen 2.689 N/A THR 198.A N VAL 179.A O no hydrogen 3.225 N/A LEU 200.A N LYS 177.A O no hydrogen 3.045 N/A HIS 202.A N ASP 205.A OD2 no hydrogen 3.231 N/A LYS 203.A N GLY 175.A O no hydrogen 3.127 N/A ASN 204.A N HIS 202.A ND1 no hydrogen 3.379 N/A ASP 205.A N HIS 202.A O no hydrogen 3.147 N/A ILE 208.A N ASP 205.A O no hydrogen 3.363 N/A ILE 210.A N ASP 209.A OD1 no hydrogen 2.919 N/A LEU 211.A N GLY 207.A O no hydrogen 3.063 N/A SER 212.A N ILE 208.A O no hydrogen 2.772 N/A SER 212.A OG ASP 154.A OD2 no hydrogen 3.489 N/A SER 212.A OG ASP 209.A O no hydrogen 2.689 N/A ILE 214.A N ILE 210.A O no hydrogen 3.090 N/A LYS 216.A N SER 212.A O no hydrogen 2.961 N/A LYS 216.A NZ GLU 611.A OE1 no hydrogen 3.109 N/A LYS 216.A NZ GLU 611.A OE2 no hydrogen 3.368 N/A HIS 217.A N VAL 213.A O no hydrogen 3.080 N/A HIS 217.A NE2 GLU 611.A OE2 no hydrogen 2.750 N/A GLY 218.A N HIS 215.A O no hydrogen 3.088 N/A LEU 219.A N ILE 214.A O no hydrogen 2.859 N/A MET 228.A N PRO 224.A O no hydrogen 3.063 N/A GLU 229.A N ALA 225.A O no hydrogen 2.914 N/A GLN 230.A N ASP 226.A O no hydrogen 3.005 N/A GLN 230.A NE2 TYR 291.A O no hydrogen 3.676 N/A GLN 230.A NE2 SER 296.A OG no hydrogen 3.252 N/A ALA 231.A N ALA 227.A O no hydrogen 2.941 N/A SER 232.A N MET 228.A O no hydrogen 3.029 N/A SER 232.A OG MET 228.A O no hydrogen 3.006 N/A SER 233.A N GLU 229.A O no hydrogen 3.050 N/A SER 233.A OG GLU 229.A O no hydrogen 3.252 N/A SER 233.A OG GLN 230.A O no hydrogen 2.897 N/A THR 234.A N GLN 230.A O no hydrogen 3.088 N/A THR 234.A N ALA 231.A O no hydrogen 3.265 N/A THR 234.A OG1 GLN 230.A O no hydrogen 2.716 N/A LYS 241.A N ASP 239.A OD1 no hydrogen 3.195 N/A LYS 241.A NZ ASP 239.A OD2 no hydrogen 3.454 N/A ASP 242.A N ASP 239.A O no hydrogen 2.996 N/A LEU 243.A N GLU 240.A O no hydrogen 3.262 N/A LYS 244.A N LYS 241.A O no hydrogen 3.305 N/A ARG 246.A NE ASP 242.A O no hydrogen 3.141 N/A ARG 246.A NH1 ASP 287.A OD2 no hydrogen 2.684 N/A ARG 246.A NH1 SER 359.A O no hydrogen 3.242 N/A ARG 246.A NH2 ASP 287.A OD2 no hydrogen 2.737 N/A ARG 247.A N GLN 358.A O no hydrogen 2.936 N/A ARG 247.A NH1 GLU 355.A OE2 no hydrogen 3.247 N/A ARG 247.A NH2 GLU 355.A OE2 no hydrogen 3.024 N/A LEU 249.A N VAL 360.A O no hydrogen 2.865 N/A ARG 250.A N ASP 248.A OD1 no hydrogen 3.245 N/A ARG 250.A NE ASP 248.A OD1 no hydrogen 2.888 N/A ARG 250.A NH1 ASP 335.A OD2 no hydrogen 3.002 N/A ARG 250.A NH2 ASP 248.A OD2 no hydrogen 3.102 N/A GLN 252.A N LEU 249.A O no hydrogen 3.351 N/A ILE 254.A N THR 364.A OG1 no hydrogen 3.390 N/A VAL 255.A N VAL 269.A O no hydrogen 3.125 N/A THR 256.A N GLU 365.A O no hydrogen 3.420 N/A ASP 258.A N MET 367.A O no hydrogen 3.473 N/A ALA 262.A N GLY 259.A O no hydrogen 3.180 N/A LEU 265.A N SER 329.A OG no hydrogen 3.280 N/A ALA 268.A N HIS 284.A O no hydrogen 2.853 N/A VAL 269.A N VAL 255.A O no hydrogen 2.780 N/A THR 270.A N GLY 282.A O no hydrogen 3.085 N/A THR 270.A OG1 VAL 253.A O no hydrogen 2.901 N/A THR 272.A N LYS 280.A O no hydrogen 2.942 N/A LEU 274.A N SER 278.A O no hydrogen 2.712 N/A GLY 277.A N LEU 274.A O no hydrogen 2.994 N/A SER 278.A N ASP 276.A OD1 no hydrogen 3.105 N/A SER 278.A OG ASP 276.A OD1 no hydrogen 2.663 N/A SER 278.A OG ASP 276.A OD2 no hydrogen 3.326 N/A TYR 279.A N ILE 345.A O no hydrogen 2.758 N/A LYS 280.A N THR 272.A O no hydrogen 2.737 N/A LYS 280.A NZ GLU 342.A OE1 no hydrogen 3.558 N/A LEU 281.A N MET 343.A O no hydrogen 2.606 N/A GLY 282.A N THR 270.A O no hydrogen 3.081 N/A VAL 283.A N CYS 341.A O no hydrogen 2.992 N/A HIS 284.A N ALA 268.A O no hydrogen 2.799 N/A HIS 284.A ND1 SER 340.A OG no hydrogen 2.834 N/A ILE 285.A N LEU 339.A O no hydrogen 3.376 N/A ALA 286.A N ASP 266.A O no hydrogen 2.829 N/A ASP 287.A N LEU 337.A O no hydrogen 3.278 N/A VAL 288.A N ALA 286.A O no hydrogen 2.970 N/A SER 289.A OG ASP 287.A OD1 no hydrogen 3.059 N/A HIS 290.A NE2 ASP 242.A OD2 no hydrogen 3.021 N/A VAL 292.A N VAL 288.A O no hydrogen 2.850 N/A ASN 295.A N ASP 299.A OD2 no hydrogen 2.698 N/A ASN 295.A ND2 GLU 294.A OE1 no hydrogen 3.517 N/A SER 296.A N THR 293.A O no hydrogen 3.120 N/A SER 296.A OG GLN 230.A OE1 no hydrogen 3.297 N/A SER 296.A OG THR 293.A O no hydrogen 2.873 N/A ILE 298.A N GLN 230.A OE1 no hydrogen 2.856 N/A ASP 299.A N SER 296.A OG no hydrogen 3.218 N/A LYS 300.A N SER 296.A O no hydrogen 3.019 N/A GLU 301.A N PRO 297.A O no hydrogen 3.325 N/A ALA 302.A N ILE 298.A O no hydrogen 2.815 N/A LEU 303.A N ASP 299.A O no hydrogen 3.152 N/A GLU 304.A N LYS 300.A O no hydrogen 3.330 N/A ARG 305.A N GLU 301.A O no hydrogen 2.804 N/A ARG 305.A NE GLU 301.A OE1 no hydrogen 2.852 N/A ARG 305.A NH1 GLY 221.A O no hydrogen 3.450 N/A ARG 305.A NH1 PRO 317.A O no hydrogen 3.126 N/A ARG 305.A NH2 GLY 221.A O no hydrogen 2.787 N/A ARG 305.A NH2 GLU 301.A OE1 no hydrogen 3.084 N/A GLY 306.A N ALA 302.A O no hydrogen 2.596 N/A THR 307.A N ARG 305.A O no hydrogen 2.697 N/A THR 307.A OG1 SER 308.A O no hydrogen 3.153 N/A THR 307.A OG1 ARG 559.A O no hydrogen 3.202 N/A SER 308.A N ARG 559.A O no hydrogen 2.997 N/A VAL 309.A N ILE 316.A O no hydrogen 2.711 N/A TYR 310.A N GLU 609.A OE1 no hydrogen 2.904 N/A TYR 310.A OH ASP 264.A OD2 no hydrogen 3.197 N/A ARG 314.A NE ASP 313.A OD1 no hydrogen 2.877 N/A ARG 314.A NH2 ASP 313.A OD2 no hydrogen 3.031 N/A ILE 316.A N VAL 309.A O no hydrogen 2.764 N/A MET 318.A N SER 308.A OG no hydrogen 3.060 N/A ARG 322.A NH2 ASP 236.A OD1 no hydrogen 3.404 N/A LEU 323.A N PRO 320.A O no hydrogen 3.221 N/A SER 324.A N PRO 320.A O no hydrogen 3.130 N/A SER 324.A OG PRO 320.A O no hydrogen 3.244 N/A SER 324.A OG ASN 325.A OD1 no hydrogen 3.008 N/A ASN 325.A N HIS 321.A O no hydrogen 3.410 N/A ASN 325.A ND2 HIS 321.A ND1 no hydrogen 3.518 N/A GLY 326.A N LEU 323.A O no hydrogen 3.120 N/A CYS 328.A N LEU 323.A O no hydrogen 3.067 N/A SER 329.A OG LYS 263.A O no hydrogen 2.991 N/A SER 329.A OG ASN 331.A OD1 no hydrogen 3.001 N/A LEU 330.A N LEU 265.A O no hydrogen 2.944 N/A ASN 331.A ND2 ASN 325.A O no hydrogen 2.860 N/A LYS 333.A N THR 363.A O no hydrogen 2.923 N/A LYS 333.A N THR 363.A OG1 no hydrogen 3.152 N/A LYS 333.A NZ GLU 365.A OE2 no hydrogen 3.312 N/A ARG 336.A N ILE 361.A O no hydrogen 2.873 N/A ARG 336.A NE SER 329.A O no hydrogen 2.772 N/A ARG 336.A NH1 ASP 335.A O no hydrogen 2.926 N/A ARG 336.A NH2 GLY 326.A O no hydrogen 2.843 N/A THR 338.A N SER 359.A O no hydrogen 3.006 N/A THR 338.A OG1 SER 359.A OG no hydrogen 2.517 N/A LEU 339.A N ILE 285.A O no hydrogen 2.926 N/A SER 340.A N PHE 357.A O no hydrogen 2.783 N/A SER 340.A OG HIS 284.A ND1 no hydrogen 2.834 N/A SER 340.A OG SER 359.A OG no hydrogen 2.906 N/A CYS 341.A N VAL 283.A O no hydrogen 2.839 N/A CYS 341.A SG GLU 355.A O no hydrogen 3.799 N/A GLU 342.A N GLU 355.A O no hydrogen 2.785 N/A MET 343.A N LEU 281.A O no hydrogen 2.751 N/A ILE 345.A N TYR 279.A O no hydrogen 2.586 N/A ASN 346.A N GLN 350.A O no hydrogen 3.105 N/A ASN 346.A ND2 GLN 350.A OE1 no hydrogen 3.080 N/A GLN 348.A N ASN 346.A OD1 no hydrogen 3.060 N/A GLY 349.A N ASN 346.A O no hydrogen 3.219 N/A GLN 350.A N ASN 346.A OD1 no hydrogen 2.910 N/A THR 352.A N THR 344.A O no hydrogen 3.100 N/A THR 352.A OG1 THR 344.A O no hydrogen 3.160 N/A HIS 354.A NE2 HIS 460.A ND1 no hydrogen 3.009 N/A GLU 355.A N GLU 342.A O no hydrogen 2.813 N/A PHE 357.A N SER 340.A O no hydrogen 3.219 N/A SER 359.A N THR 338.A O no hydrogen 3.225 N/A SER 359.A OG THR 338.A OG1 no hydrogen 2.517 N/A SER 359.A OG SER 340.A OG no hydrogen 2.906 N/A VAL 360.A N ARG 247.A O no hydrogen 2.960 N/A ILE 361.A N ARG 336.A O no hydrogen 2.934 N/A THR 363.A OG1 ASN 331.A O no hydrogen 2.989 N/A THR 364.A N ILE 254.A O no hydrogen 2.659 N/A ARG 366.A NH2 ALA 260.A O no hydrogen 2.926 N/A ARG 366.A NH2 ALA 262.A O no hydrogen 2.704 N/A MET 367.A N THR 256.A O no hydrogen 2.782 N/A TYR 369.A N ASP 258.A O no hydrogen 3.004 N/A ASP 371.A N THR 368.A OG1 no hydrogen 3.179 N/A VAL 372.A N THR 368.A O no hydrogen 3.115 N/A ASN 373.A N TYR 369.A O no hydrogen 2.995 N/A ASN 373.A ND2 SER 440.A OG no hydrogen 2.828 N/A LYS 374.A N SER 370.A O no hydrogen 3.015 N/A ILE 375.A N ASP 371.A O no hydrogen 3.178 N/A LEU 376.A N VAL 372.A O no hydrogen 3.195 N/A VAL 377.A N ASN 373.A O no hydrogen 2.692 N/A ASP 378.A N ASN 373.A O no hydrogen 3.330 N/A ASP 380.A N LYS 374.A O no hydrogen 2.800 N/A LEU 383.A N ASP 380.A OD1 no hydrogen 2.747 N/A LYS 384.A N ASP 380.A O no hydrogen 3.213 N/A LYS 384.A NZ ASP 379.A OD1 no hydrogen 2.967 N/A LYS 384.A NZ GLU 381.A OE1 no hydrogen 2.878 N/A GLN 385.A N GLU 381.A O no hydrogen 3.068 N/A LYS 386.A N GLU 382.A O no hydrogen 3.079 N/A LYS 386.A NZ TYR 387.A OH no hydrogen 2.776 N/A TYR 387.A N LEU 383.A O no hydrogen 2.841 N/A LEU 390.A N TYR 387.A O no hydrogen 2.954 N/A VAL 391.A N TYR 387.A O no hydrogen 3.202 N/A PHE 394.A N LEU 390.A O no hydrogen 2.996 N/A LYS 395.A N VAL 391.A O no hydrogen 2.977 N/A ASP 396.A N PRO 392.A O no hydrogen 3.177 N/A MET 397.A N MET 393.A O no hydrogen 2.849 N/A GLU 398.A N PHE 394.A O no hydrogen 3.047 N/A ARG 399.A N LYS 395.A O no hydrogen 3.256 N/A LEU 400.A N ASP 396.A O no hydrogen 3.091 N/A ALA 401.A N MET 397.A O no hydrogen 2.954 N/A GLN 402.A N GLU 398.A O no hydrogen 3.122 N/A GLN 402.A NE2 ASP 406.A OD1 no hydrogen 2.843 N/A ILE 403.A N ARG 399.A O no hydrogen 2.981 N/A LEU 404.A N LEU 400.A O no hydrogen 2.858 N/A ARG 405.A N ALA 401.A O no hydrogen 2.901 N/A ARG 405.A NH2 ASP 415.A OD2 no hydrogen 2.950 N/A ASP 406.A N GLN 402.A O no hydrogen 2.871 N/A LYS 407.A N ILE 403.A O no hydrogen 3.234 N/A LYS 407.A NZ GLY 349.A O no hydrogen 3.008 N/A ARG 408.A N LEU 404.A O no hydrogen 3.142 N/A ARG 408.A NE GLU 448.A OE1 no hydrogen 2.981 N/A ARG 408.A NH1 GLU 447.A OE1 no hydrogen 3.391 N/A ARG 408.A NH2 GLU 447.A OE1 no hydrogen 3.056 N/A ARG 408.A NH2 GLU 448.A OE1 no hydrogen 2.660 N/A MET 409.A N ARG 405.A O no hydrogen 2.979 N/A ASP 410.A N ASP 406.A O no hydrogen 2.796 N/A ARG 411.A N LYS 407.A O no hydrogen 2.864 N/A ARG 411.A NH1 GLU 455.A OE2 no hydrogen 2.970 N/A ARG 411.A NH2 GLU 455.A OE1 no hydrogen 2.764 N/A ARG 411.A NH2 LEU 546.A O no hydrogen 2.977 N/A GLY 412.A N MET 409.A O no hydrogen 3.031 N/A ALA 413.A N ARG 408.A O no hydrogen 3.114 N/A VAL 414.A N GLY 545.A O no hydrogen 3.000 N/A ASP 415.A N GLN 508.A OE1 no hydrogen 2.993 N/A LYS 422.A N VAL 435.A O no hydrogen 2.741 N/A LEU 424.A N ASP 433.A O no hydrogen 2.749 N/A ASP 426.A N ALA 430.A O no hydrogen 3.055 N/A GLY 429.A N ASP 426.A O no hydrogen 3.225 N/A ALA 430.A N ASP 426.A OD1 no hydrogen 2.701 N/A LYS 432.A N LEU 424.A O no hydrogen 2.837 N/A ASP 433.A N LEU 424.A O no hydrogen 3.302 N/A VAL 435.A N LYS 422.A O no hydrogen 3.042 N/A ARG 437.A N GLU 420.A O no hydrogen 2.698 N/A ARG 437.A NH1 GLU 420.A OE2 no hydrogen 3.492 N/A ARG 439.A NH1 GLU 447.A OE2 no hydrogen 3.283 N/A ARG 439.A NH2 PHE 416.A O no hydrogen 2.980 N/A ARG 439.A NH2 ASP 417.A OD1 no hydrogen 3.268 N/A SER 440.A N GLU 443.A OE2 no hydrogen 2.712 N/A SER 440.A OG ASN 373.A OD1 no hydrogen 2.997 N/A SER 440.A OG GLU 443.A OE2 no hydrogen 2.661 N/A ALA 442.A N ASN 373.A OD1 no hydrogen 2.958 N/A GLU 443.A N SER 440.A OG no hydrogen 3.226 N/A LYS 444.A N SER 440.A O no hydrogen 3.150 N/A LYS 444.A NZ ASP 417.A OD2 no hydrogen 3.232 N/A LYS 444.A NZ ARG 439.A O no hydrogen 3.464 N/A LEU 445.A N VAL 441.A O no hydrogen 2.746 N/A ILE 446.A N ALA 442.A O no hydrogen 3.503 N/A GLU 447.A N GLU 443.A O no hydrogen 3.043 N/A GLU 448.A N LYS 444.A O no hydrogen 3.319 N/A PHE 449.A N LEU 445.A O no hydrogen 3.243 N/A MET 450.A N ILE 446.A O no hydrogen 2.838 N/A LEU 451.A N GLU 447.A O no hydrogen 2.887 N/A VAL 452.A N GLU 448.A O no hydrogen 3.037 N/A ALA 453.A N PHE 449.A O no hydrogen 3.174 N/A ASN 454.A N MET 450.A O no hydrogen 2.847 N/A ASN 454.A ND2 TYR 551.A OH no hydrogen 3.422 N/A ASN 454.A ND2 THR 555.A OG1 no hydrogen 3.397 N/A GLU 455.A N LEU 451.A O no hydrogen 2.829 N/A THR 456.A N VAL 452.A O no hydrogen 3.219 N/A THR 456.A OG1 VAL 452.A O no hydrogen 2.433 N/A VAL 457.A N ALA 453.A O no hydrogen 3.064 N/A ALA 458.A N ASN 454.A O no hydrogen 3.340 N/A GLU 459.A N GLU 455.A O no hydrogen 2.854 N/A HIS 460.A N THR 456.A O no hydrogen 3.096 N/A HIS 460.A ND1 HIS 354.A NE2 no hydrogen 3.009 N/A PHE 461.A N VAL 457.A O no hydrogen 3.120 N/A HIS 462.A N ALA 458.A O no hydrogen 3.092 N/A TRP 463.A N GLU 459.A O no hydrogen 3.205 N/A MET 464.A N HIS 460.A O no hydrogen 3.112 N/A ASN 465.A N PHE 461.A O no hydrogen 3.176 N/A TYR 470.A N ASP 537.A O no hydrogen 2.955 N/A ARG 471.A N TYR 551.A O no hydrogen 2.928 N/A ARG 471.A NH1 GLU 602.A OE2 no hydrogen 2.680 N/A ILE 472.A N LYS 535.A O no hydrogen 2.994 N/A HIS 473.A N GLY 542.A O no hydrogen 3.097 N/A ASN 477.A ND2 THR 89.A O no hydrogen 3.331 N/A GLU 479.A N ASN 477.A OD1 no hydrogen 2.903 N/A LYS 480.A N ASN 477.A OD1 no hydrogen 3.103 N/A LEU 481.A N ASN 477.A O no hydrogen 2.850 N/A GLN 482.A N ALA 478.A O no hydrogen 2.847 N/A GLN 482.A NE2 GLU 486.A OE1 no hydrogen 2.972 N/A LYS 483.A N GLU 479.A O no hydrogen 3.149 N/A LYS 483.A NZ GLU 479.A OE1 no hydrogen 3.136 N/A PHE 484.A N LYS 480.A O no hydrogen 3.152 N/A LEU 485.A N LEU 481.A O no hydrogen 2.836 N/A GLU 486.A N GLN 482.A O no hydrogen 3.219 N/A PHE 487.A N LYS 483.A O no hydrogen 2.903 N/A VAL 488.A N PHE 484.A O no hydrogen 3.031 N/A THR 489.A N LEU 485.A O no hydrogen 3.294 N/A THR 489.A OG1 LEU 485.A O no hydrogen 2.649 N/A THR 490.A N PHE 487.A O no hydrogen 3.233 N/A THR 490.A OG1 PHE 487.A O no hydrogen 2.570 N/A GLY 492.A N THR 489.A O no hydrogen 3.030 N/A TYR 493.A N VAL 488.A O no hydrogen 2.984 N/A TYR 493.A OH GLU 519.A OE1 no hydrogen 2.719 N/A ASN 501.A N THR 498.A O no hydrogen 3.252 N/A ARG 505.A N HIS 503.A ND1 no hydrogen 3.250 N/A ALA 506.A N HIS 503.A O no hydrogen 2.734 N/A LEU 507.A N PRO 504.A O no hydrogen 3.248 N/A GLN 508.A N PRO 504.A O no hydrogen 3.358 N/A SER 509.A N ARG 505.A O no hydrogen 3.038 N/A SER 509.A OG ARG 505.A O no hydrogen 2.689 N/A ILE 510.A N LEU 507.A O no hydrogen 2.996 N/A LEU 511.A N LEU 507.A O no hydrogen 3.126 N/A ASP 512.A N GLN 508.A O no hydrogen 2.910 N/A VAL 514.A N ILE 510.A O no hydrogen 3.083 N/A ARG 515.A N ASP 512.A O no hydrogen 3.080 N/A ASP 516.A N GLU 520.A OE2 no hydrogen 3.165 N/A ARG 517.A N VAL 514.A O no hydrogen 3.081 N/A GLU 519.A N GLU 519.A OE2 no hydrogen 3.203 N/A GLU 520.A N ARG 517.A O no hydrogen 3.416 N/A ILE 523.A N GLU 519.A O no hydrogen 3.216 N/A SER 524.A N GLU 520.A O no hydrogen 2.859 N/A THR 525.A N THR 521.A O no hydrogen 2.870 N/A THR 525.A OG1 THR 521.A O no hydrogen 2.489 N/A VAL 526.A N VAL 522.A O no hydrogen 2.709 N/A MET 527.A N ILE 523.A O no hydrogen 2.872 N/A LEU 528.A N SER 524.A O no hydrogen 3.203 N/A ARG 529.A N THR 525.A O no hydrogen 3.272 N/A SER 530.A N VAL 526.A O no hydrogen 3.296 N/A SER 530.A N MET 527.A O no hydrogen 3.130 N/A SER 530.A OG MET 527.A O no hydrogen 2.648 N/A MET 531.A N LEU 528.A O no hydrogen 3.073 N/A LYS 532.A NZ GLU 474.A OE2 no hydrogen 3.013 N/A LYS 535.A N ILE 472.A O no hydrogen 3.091 N/A TYR 536.A N SER 599.A OG no hydrogen 2.856 N/A TYR 536.A OH HIS 553.A ND1 no hydrogen 2.662 N/A ASP 537.A N TYR 470.A O no hydrogen 3.186 N/A GLN 539.A N ASP 537.A OD1 no hydrogen 2.842 N/A SER 540.A OG GLU 549.A O no hydrogen 3.153 N/A HIS 543.A N THR 548.A O no hydrogen 2.742 N/A PHE 544.A N HIS 473.A O no hydrogen 2.851 N/A GLY 545.A N HIS 473.A ND1 no hydrogen 3.315 N/A LEU 546.A N HIS 543.A ND1 no hydrogen 3.306 N/A SER 547.A N PHE 544.A O no hydrogen 3.208 N/A SER 547.A OG ARG 411.A O no hydrogen 2.889 N/A THR 548.A N HIS 543.A O no hydrogen 3.125 N/A THR 548.A OG1 PHE 550.A O no hydrogen 3.221 N/A THR 552.A OG1 ILE 469.A O no hydrogen 2.613 N/A HIS 553.A ND1 TYR 536.A OH no hydrogen 2.662 N/A PHE 554.A N ASN 454.A OD1 no hydrogen 2.864 N/A SER 556.A N ASP 563.A OD2 no hydrogen 2.891 N/A ILE 558.A N ASP 266.A OD1 no hydrogen 3.104 N/A ARG 560.A NH2 ASP 563.A OD2 no hydrogen 2.877 N/A TYR 561.A N GLY 306.A O no hydrogen 3.231 N/A TYR 561.A OH ASP 299.A OD1 no hydrogen 3.142 N/A LEU 564.A N ARG 560.A O no hydrogen 3.359 N/A ILE 565.A N TYR 561.A O no hydrogen 3.080 N/A VAL 566.A N PRO 562.A O no hydrogen 3.076 N/A HIS 567.A N ASP 563.A O no hydrogen 2.945 N/A ARG 568.A N LEU 564.A O no hydrogen 3.237 N/A ARG 568.A NH1 TYR 561.A OH no hydrogen 3.197 N/A ARG 568.A NH2 ASP 299.A OD1 no hydrogen 2.716 N/A LEU 569.A N ILE 565.A O no hydrogen 2.875 N/A ILE 570.A N VAL 566.A O no hydrogen 2.986 N/A ARG 571.A N HIS 567.A O no hydrogen 3.026 N/A ARG 571.A NE SER 289.A OG no hydrogen 3.409 N/A ARG 571.A NH2 ASP 287.A OD2 no hydrogen 2.940 N/A ARG 571.A NH2 SER 289.A OG no hydrogen 3.254 N/A THR 572.A N ARG 568.A O no hydrogen 2.740 N/A THR 572.A OG1 ARG 568.A O no hydrogen 2.729 N/A TYR 573.A N LEU 569.A O no hydrogen 2.949 N/A TYR 573.A OH PRO 467.A O no hydrogen 3.318 N/A LEU 574.A N ILE 570.A O no hydrogen 3.125 N/A ILE 575.A N ILE 570.A O no hydrogen 3.418 N/A ASN 576.A N ARG 571.A O no hydrogen 2.988 N/A LYS 578.A N THR 572.A O no hydrogen 2.890 N/A THR 583.A N ASP 580.A OD2 no hydrogen 2.914 N/A THR 583.A OG1 ASP 580.A OD1 no hydrogen 2.673 N/A THR 583.A OG1 ASP 580.A OD2 no hydrogen 2.896 N/A GLN 584.A N ASP 580.A O no hydrogen 3.039 N/A GLN 584.A NE2 VAL 579.A O no hydrogen 2.828 N/A GLU 585.A N GLU 581.A O no hydrogen 2.958 N/A LYS 586.A N ALA 582.A O no hydrogen 3.253 N/A LYS 586.A NZ GLU 294.A OE1 no hydrogen 2.756 N/A LYS 586.A NZ GLU 294.A OE2 no hydrogen 3.228 N/A TRP 587.A N THR 583.A O no hydrogen 3.241 N/A ALA 588.A N GLN 584.A O no hydrogen 2.735 N/A GLU 589.A N GLU 585.A O no hydrogen 3.130 N/A ARG 590.A N TRP 587.A O no hydrogen 3.161 N/A LEU 591.A N TRP 587.A O no hydrogen 2.988 N/A ILE 594.A N ARG 590.A O no hydrogen 3.200 N/A ALA 595.A N LEU 591.A O no hydrogen 2.816 N/A GLU 596.A N PRO 592.A O no hydrogen 3.073 N/A HIS 597.A N ASP 593.A O no hydrogen 2.936 N/A HIS 597.A NE2 LEU 303.A O no hydrogen 2.831 N/A THR 598.A N ILE 594.A O no hydrogen 2.909 N/A THR 598.A OG1 ILE 594.A O no hydrogen 2.831 N/A SER 599.A N ALA 595.A O no hydrogen 3.375 N/A SER 599.A OG ALA 595.A O no hydrogen 2.694 N/A SER 600.A N GLU 596.A O no hydrogen 3.152 N/A MET 601.A N HIS 597.A O no hydrogen 2.955 N/A GLU 602.A N THR 598.A O no hydrogen 2.927 N/A ARG 603.A N SER 599.A O no hydrogen 3.327 N/A ARG 604.A N SER 600.A O no hydrogen 3.021 N/A ALA 605.A N MET 601.A O no hydrogen 3.041 N/A VAL 606.A N GLU 602.A O no hydrogen 2.857 N/A ASP 607.A N ARG 603.A O no hydrogen 3.011 N/A ALA 608.A N ARG 604.A O no hydrogen 3.066 N/A GLU 609.A N ALA 605.A O no hydrogen 2.929 N/A ARG 610.A N VAL 606.A O no hydrogen 3.167 N/A GLU 611.A N ASP 607.A O no hydrogen 3.097 N/A THR 612.A N ALA 608.A O no hydrogen 3.217 N/A THR 612.A OG1 ALA 608.A O no hydrogen 3.199 N/A THR 612.A OG1 GLU 609.A O no hydrogen 2.433 N/A ASP 613.A N GLU 609.A O no hydrogen 3.042 N/A ASP 614.A N ARG 610.A O no hydrogen 2.801 N/A LEU 615.A N GLU 611.A O no hydrogen 3.012 N/A LYS 616.A N THR 612.A O no hydrogen 3.069 N/A LYS 616.A NZ ASP 209.A OD2 no hydrogen 3.286 N/A LYS 616.A NZ GLY 429.A O no hydrogen 2.645 N/A LYS 616.A NZ GLU 619.A OE2 no hydrogen 2.825 N/A LYS 617.A N ASP 613.A O no hydrogen 2.745 N/A LYS 617.A NZ THR 648.A O no hydrogen 2.755 N/A LYS 617.A NZ THR 648.A OG1 no hydrogen 3.331 N/A ALA 618.A N ASP 614.A O no hydrogen 3.188 N/A GLU 619.A N LEU 615.A O no hydrogen 2.955 N/A TYR 620.A N LYS 616.A O no hydrogen 2.829 N/A MET 621.A N LYS 617.A O no hydrogen 3.323 N/A MET 621.A N ALA 618.A O no hydrogen 3.255 N/A LEU 622.A N GLU 619.A O no hydrogen 3.347 N/A LYS 624.A N MET 621.A O no hydrogen 3.109 N/A LYS 624.A NZ ASP 623.A OD2 no hydrogen 2.944 N/A GLY 626.A N VAL 691.A O no hydrogen 2.848 N/A GLU 627.A N LYS 624.A O no hydrogen 3.196 N/A PHE 629.A N VAL 689.A O no hydrogen 2.717 N/A GLY 631.A N ILE 687.A O no hydrogen 2.752 N/A MET 632.A N GLU 644.A O no hydrogen 2.883 N/A ILE 633.A N ASP 685.A O no hydrogen 2.853 N/A SER 634.A N PHE 642.A O no hydrogen 2.937 N/A SER 634.A OG PHE 642.A O no hydrogen 3.119 N/A SER 634.A OG GLU 650.A OE1 no hydrogen 2.483 N/A SER 635.A N PHE 642.A O no hydrogen 3.459 N/A THR 637.A N GLY 640.A O no hydrogen 2.911 N/A THR 637.A OG1 GLY 640.A O no hydrogen 3.131 N/A MET 641.A N VAL 653.A O no hydrogen 2.857 N/A PHE 642.A N SER 635.A O no hydrogen 2.604 N/A VAL 643.A N GLY 651.A O no hydrogen 2.735 N/A GLU 644.A N MET 632.A O no hydrogen 2.956 N/A LEU 645.A N ILE 649.A O no hydrogen 2.891 N/A THR 648.A N LEU 645.A O no hydrogen 3.240 N/A THR 648.A OG1 ASN 647.A O no hydrogen 2.531 N/A ILE 649.A N ASN 647.A OD1 no hydrogen 3.334 N/A GLY 651.A N VAL 643.A O no hydrogen 2.989 N/A LEU 652.A N ILE 701.A O no hydrogen 3.054 N/A VAL 653.A N MET 641.A O no hydrogen 2.693 N/A HIS 654.A ND1 SER 656.A OG no hydrogen 2.904 N/A VAL 655.A N PHE 639.A O no hydrogen 2.968 N/A SER 656.A OG HIS 654.A ND1 no hydrogen 2.904 N/A PHE 657.A N HIS 654.A O no hydrogen 2.962 N/A MET 658.A N VAL 655.A O no hydrogen 3.126 N/A TYR 662.A N ASP 661.A OD1 no hydrogen 2.671 N/A TYR 663.A OH ASP 660.A OD1 no hydrogen 2.890 N/A TYR 663.A OH ASP 660.A OD2 no hydrogen 2.840 N/A ARG 664.A N ILE 673.A O no hydrogen 2.889 N/A ASP 666.A N ALA 671.A O no hydrogen 2.723 N/A HIS 669.A N ASP 666.A OD1 no hydrogen 3.046 N/A HIS 669.A ND1 ASP 666.A OD1 no hydrogen 2.893 N/A ALA 671.A N ASP 666.A O no hydrogen 3.127 N/A MET 672.A N PHE 681.A O no hydrogen 3.030 N/A ILE 673.A N ARG 664.A O no hydrogen 2.869 N/A GLY 674.A N ASN 679.A O no hydrogen 2.682 N/A GLU 675.A N TYR 662.A O no hydrogen 3.067 N/A ARG 676.A N ASP 661.A OD1 no hydrogen 3.292 N/A ARG 676.A N ASP 661.A OD2 no hydrogen 2.929 N/A ARG 676.A NH2 ASP 660.A O no hydrogen 3.090 N/A THR 677.A N ASP 661.A OD2 no hydrogen 2.694 N/A THR 677.A OG1 ASP 661.A OD2 no hydrogen 2.729 N/A GLY 678.A N GLY 674.A O no hydrogen 3.262 N/A ASN 679.A N THR 677.A OG1 no hydrogen 3.252 N/A ASN 679.A ND2 TYR 663.A OH no hydrogen 3.473 N/A PHE 681.A N MET 672.A O no hydrogen 2.971 N/A ARG 682.A N ASP 685.A OD2 no hydrogen 2.652 N/A ILE 683.A N PHE 670.A O no hydrogen 3.311 N/A GLY 684.A N ILE 633.A O no hydrogen 2.767 N/A ASP 685.A N ARG 682.A O no hydrogen 3.123 N/A ILE 687.A N GLY 631.A O no hydrogen 2.896 N/A THR 688.A N GLY 707.A O no hydrogen 2.790 N/A THR 688.A OG1 ASP 630.A OD1 no hydrogen 2.978 N/A VAL 689.A N PHE 629.A O no hydrogen 2.675 N/A LYS 690.A N GLU 704.A O no hydrogen 3.074 N/A LYS 690.A NZ GLU 704.A OE1 no hydrogen 3.237 N/A VAL 691.A N GLU 627.A O no hydrogen 3.125 N/A VAL 692.A N ASP 702.A O no hydrogen 2.708 N/A ASP 693.A N ASP 702.A O no hydrogen 3.094 N/A VAL 694.A N ASP 693.A OD1 no hydrogen 2.830 N/A ASN 695.A N ASN 700.A O no hydrogen 2.737 N/A LYS 696.A NZ ASP 209.A OD2 no hydrogen 2.849 N/A LYS 696.A NZ GLU 619.A OE1 no hydrogen 2.751 N/A GLU 698.A N ASN 695.A OD1 no hydrogen 3.393 N/A ASN 700.A N ASN 695.A O no hydrogen 2.724 N/A ASP 702.A N ASP 693.A O no hydrogen 2.765 N/A PHE 703.A N LEU 652.A O no hydrogen 2.830 N/A GLU 704.A N LYS 690.A O no hydrogen 2.993 N/A VAL 706.A N THR 688.A O no hydrogen 2.927 N/A GLY 707.A N THR 688.A O no hydrogen 3.294 N/A