Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1krb_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1 VAL 16.A O no hydrogen 2.949 N/A ARG 5.A NH2 VAL 16.A O no hydrogen 2.911 N/A GLN 6.A NE2 GLN 6.A O no hydrogen 2.866 N/A TYR 8.A N SER 4.A O no hydrogen 2.872 N/A TYR 8.A OH GLU 41.A OE2 no hydrogen 2.908 N/A ALA 9.A N ARG 5.A O no hydrogen 2.912 N/A ASP 10.A N GLN 6.A O no hydrogen 3.018 N/A MET 11.A N ALA 7.A O no hydrogen 3.175 N/A MET 11.A N TYR 8.A O no hydrogen 3.026 N/A PHE 12.A N TYR 8.A O no hydrogen 2.810 N/A GLY 13.A N ALA 9.A O no hydrogen 2.700 N/A THR 15.A N ASP 18.A OD2 no hydrogen 2.969 N/A THR 15.A OG1 ASP 34.A OD2 no hydrogen 2.517 N/A THR 15.A OG1 TYR 38.A OH no hydrogen 2.835 N/A VAL 16.A N THR 15.A OG1 no hydrogen 2.726 N/A GLY 17.A N VAL 31.A O no hydrogen 3.168 N/A ASP 18.A N THR 15.A O no hydrogen 2.889 N/A LYS 19.A NZ GLU 30.A OE1 no hydrogen 3.246 N/A VAL 20.A N ILE 29.A O no hydrogen 2.887 N/A ARG 21.A NE THR 25.A O no hydrogen 2.849 N/A LEU 22.A N LEU 27.A O no hydrogen 2.960 N/A ALA 23.A N PRO 435.A O no hydrogen 2.948 N/A THR 25.A N LEU 22.A O no hydrogen 3.061 N/A THR 25.A OG1 LEU 22.A O no hydrogen 2.962 N/A GLU 26.A N HIS 377.A ND1 no hydrogen 3.057 N/A LEU 27.A N THR 25.A OG1 no hydrogen 2.997 N/A TRP 28.A N ASP 394.A OD2 no hydrogen 3.205 N/A ILE 29.A N VAL 20.A O no hydrogen 2.939 N/A GLU 30.A N ASN 395.A OD1 no hydrogen 2.876 N/A VAL 31.A N ASP 18.A O no hydrogen 3.108 N/A GLU 32.A N ILE 80.A O no hydrogen 2.913 N/A ASP 34.A N ASP 33.A OD1 no hydrogen 2.839 N/A LEU 35.A N LYS 82.A O no hydrogen 2.908 N/A THR 36.A N ASP 34.A OD1 no hydrogen 3.163 N/A TYR 38.A OH THR 15.A OG1 no hydrogen 2.835 N/A GLY 39.A N GLU 41.A OE1 no hydrogen 3.057 N/A GLY 39.A N GLU 41.A OE2 no hydrogen 2.945 N/A GLU 40.A N THR 37.A O no hydrogen 2.881 N/A LYS 43.A NZ GLU 121.A OE2 no hydrogen 2.948 N/A LYS 48.A N GLY 45.A O no hydrogen 3.070 N/A VAL 49.A N LYS 43.A O no hydrogen 3.053 N/A ILE 50.A N LYS 43.A O no hydrogen 3.062 N/A ARG 51.A NE LYS 48.A O no hydrogen 2.869 N/A GLY 53.A N GLN 56.A O no hydrogen 2.916 N/A MET 54.A N ARG 51.A O no hydrogen 2.878 N/A GLY 55.A N VAL 49.A O no hydrogen 2.984 N/A GLN 56.A N ARG 51.A O no hydrogen 3.332 N/A GLY 57.A N ILE 111.A O no hydrogen 2.783 N/A GLN 58.A NE2 ASP 52.A OD1 no hydrogen 3.018 N/A ASP 63.A N LEU 60.A O no hydrogen 2.946 N/A CYS 64.A N ALA 61.A O no hydrogen 3.190 N/A CYS 64.A SG LEU 60.A O no hydrogen 3.427 N/A CYS 64.A SG ALA 61.A O no hydrogen 3.875 N/A VAL 65.A N PRO 110.A O no hydrogen 3.140 N/A ASP 66.A N VAL 87.A O no hydrogen 2.907 N/A LEU 67.A N VAL 87.A O no hydrogen 3.084 N/A VAL 68.A N GLU 116.A O no hydrogen 3.003 N/A LEU 69.A N ILE 85.A O no hydrogen 2.786 N/A THR 70.A N ILE 118.A O no hydrogen 3.026 N/A THR 70.A OG1 GLU 121.A OE1 no hydrogen 2.878 N/A ASN 71.A N ASP 84.A OD1 no hydrogen 2.778 N/A ASN 71.A ND2 VAL 42.A O no hydrogen 3.084 N/A ASN 71.A ND2 GLU 121.A OE1 no hydrogen 3.122 N/A ALA 72.A N ALA 83.A O no hydrogen 2.817 N/A LEU 73.A N LYS 123.A O no hydrogen 3.217 N/A ILE 74.A N VAL 81.A O no hydrogen 2.726 N/A VAL 75.A N VAL 125.A O no hydrogen 3.074 N/A ASP 76.A N GLY 79.A O no hydrogen 2.994 N/A HIS 77.A NE2 GLU 423.A OE2 no hydrogen 3.265 N/A GLY 79.A N ASP 76.A O no hydrogen 3.294 N/A ILE 80.A N GLU 32.A OE1 no hydrogen 3.201 N/A VAL 81.A N ILE 74.A O no hydrogen 3.071 N/A LYS 82.A N ASP 33.A O no hydrogen 2.777 N/A LYS 82.A NZ PHE 12.A O no hydrogen 2.818 N/A LYS 82.A NZ GLY 13.A O no hydrogen 3.491 N/A LYS 82.A NZ PRO 14.A O no hydrogen 3.270 N/A ALA 83.A N ALA 72.A O no hydrogen 2.935 N/A ASP 84.A N GLY 96.A O no hydrogen 3.105 N/A ILE 85.A N LEU 69.A O no hydrogen 2.919 N/A GLY 86.A N ALA 94.A O no hydrogen 2.974 N/A VAL 87.A N LEU 67.A O no hydrogen 2.796 N/A LYS 88.A N ARG 91.A O no hydrogen 2.928 N/A LYS 88.A NZ ALA 62.A O no hydrogen 2.613 N/A ASP 89.A N ASP 66.A OD2 no hydrogen 2.981 N/A ARG 91.A N LYS 88.A O no hydrogen 2.975 N/A ARG 91.A NH1 GLU 418.A OE1 no hydrogen 2.741 N/A ARG 91.A NH1 GLY 425.A O no hydrogen 3.147 N/A ARG 91.A NH2 GLU 418.A OE1 no hydrogen 2.872 N/A ILE 92.A N LYS 426.A O no hydrogen 2.800 N/A PHE 93.A N GLY 86.A O no hydrogen 2.824 N/A ALA 94.A N GLY 86.A O no hydrogen 3.276 N/A GLY 96.A N ASP 84.A O no hydrogen 3.093 N/A LYS 97.A N THR 108.A OG1 no hydrogen 2.993 N/A LYS 97.A NZ GLU 40.A O no hydrogen 2.618 N/A LYS 97.A NZ ALA 98.A O no hydrogen 2.977 N/A ALA 98.A N ASP 84.A OD2 no hydrogen 2.893 N/A GLY 99.A N ILE 109.A O no hydrogen 2.969 N/A ASN 100.A N GLN 104.A OE1 no hydrogen 2.873 N/A ASN 100.A ND2 MET 54.A O no hydrogen 2.965 N/A ASP 102.A N ASN 100.A OD1 no hydrogen 2.993 N/A ILE 103.A N ASN 100.A O no hydrogen 3.221 N/A GLN 104.A N ASN 100.A O no hydrogen 2.874 N/A GLN 104.A NE2 GLU 40.A OE1 no hydrogen 2.994 N/A THR 108.A N LYS 97.A O no hydrogen 2.701 N/A THR 108.A OG1 LYS 97.A O no hydrogen 3.558 N/A ILE 109.A N LYS 97.A O no hydrogen 3.022 N/A ILE 111.A N GLY 99.A O no hydrogen 3.085 N/A GLY 112.A N THR 115.A OG1 no hydrogen 2.783 N/A THR 115.A N GLY 112.A O no hydrogen 3.079 N/A THR 115.A OG1 VAL 65.A O no hydrogen 2.746 N/A THR 115.A OG1 GLY 112.A O no hydrogen 3.197 N/A GLU 116.A N ASP 66.A O no hydrogen 2.698 N/A VAL 117.A N GLU 116.A OE1 no hydrogen 2.815 N/A ILE 118.A N VAL 68.A O no hydrogen 2.960 N/A ALA 120.A N THR 70.A O no hydrogen 2.918 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.995 N/A LYS 123.A N ALA 120.A O no hydrogen 2.751 N/A ILE 124.A N TRP 433.A O no hydrogen 2.785 N/A VAL 125.A N LEU 73.A O no hydrogen 2.870 N/A THR 126.A N VAL 431.A O no hydrogen 3.071 N/A THR 126.A OG1 ALA 127.A O no hydrogen 3.265 N/A GLY 128.A N ASP 429.A O no hydrogen 2.923 N/A GLY 129.A N GLY 149.A O no hydrogen 2.819 N/A ILE 130.A N TYR 405.A O no hydrogen 2.797 N/A ASP 131.A N THR 152.A O no hydrogen 3.121 N/A HIS 133.A N ASP 131.A OD1 no hydrogen 3.307 N/A ILE 134.A N VAL 154.A O no hydrogen 2.916 N/A HIS 135.A N SER 359.A OG no hydrogen 2.834 N/A HIS 135.A ND1 THR 164.A O no hydrogen 2.730 N/A TRP 136.A N GLY 156.A O no hydrogen 2.997 N/A ILE 137.A N HIS 135.A O no hydrogen 2.784 N/A GLN 140.A N GLN 140.A OE1 no hydrogen 2.767 N/A GLN 141.A N CYS 138.A O no hydrogen 3.407 N/A GLN 141.A NE2 HIS 135.A O no hydrogen 3.071 N/A GLN 141.A NE2 SER 359.A OG no hydrogen 2.896 N/A ALA 142.A N PRO 139.A O no hydrogen 3.109 N/A GLU 144.A N GLN 140.A O no hydrogen 3.439 N/A ALA 145.A N GLN 141.A O no hydrogen 2.928 N/A LEU 146.A N ALA 142.A O no hydrogen 2.839 N/A VAL 147.A N GLU 143.A O no hydrogen 2.909 N/A SER 148.A N GLU 144.A O no hydrogen 3.362 N/A SER 148.A N ALA 145.A O no hydrogen 3.068 N/A SER 148.A OG ALA 145.A O no hydrogen 2.823 N/A GLY 149.A N LEU 146.A O no hydrogen 3.086 N/A VAL 150.A N ALA 145.A O no hydrogen 3.065 N/A THR 151.A N GLY 129.A O no hydrogen 2.924 N/A THR 152.A N GLY 129.A O no hydrogen 3.240 N/A MET 153.A N ASN 189.A O no hydrogen 2.753 N/A VAL 154.A N ASP 131.A O no hydrogen 2.873 N/A GLY 155.A N GLY 191.A O no hydrogen 3.156 N/A GLY 156.A N ILE 134.A O no hydrogen 3.100 N/A GLY 157.A N THR 170.A OG1 no hydrogen 3.000 N/A THR 158.A N THR 164.A OG1 no hydrogen 2.975 N/A ALA 161.A N GLY 159.A O no hydrogen 2.855 N/A HIS 165.A N ALA 161.A O no hydrogen 2.952 N/A ALA 166.A N ALA 162.A O no hydrogen 3.256 N/A THR 167.A N GLY 163.A O no hydrogen 2.852 N/A THR 167.A OG1 GLY 163.A O no hydrogen 2.732 N/A CYS 169.A SG THR 167.A OG1 no hydrogen 3.503 N/A CYS 169.A SG GLY 194.A O no hydrogen 4.025 N/A THR 170.A N LEU 193.A O no hydrogen 2.985 N/A THR 170.A OG1 GLY 157.A O no hydrogen 3.504 N/A THR 170.A OG1 LEU 193.A O no hydrogen 3.279 N/A GLY 172.A N GLN 207.A OE1 no hydrogen 3.301 N/A ILE 176.A N GLY 172.A O no hydrogen 2.808 N/A SER 177.A N PRO 173.A O no hydrogen 2.842 N/A SER 177.A OG PRO 173.A O no hydrogen 2.624 N/A ARG 178.A N TRP 174.A O no hydrogen 2.964 N/A ARG 178.A NE GLN 181.A OE1 no hydrogen 3.172 N/A ARG 178.A NH2 GLN 181.A OE1 no hydrogen 2.798 N/A MET 179.A N TYR 175.A O no hydrogen 2.840 N/A LEU 180.A N ILE 176.A O no hydrogen 2.906 N/A GLN 181.A N SER 177.A O no hydrogen 3.217 N/A GLN 181.A N ARG 178.A O no hydrogen 3.242 N/A GLN 181.A NE2 LEU 503.A O no hydrogen 3.143 N/A ALA 182.A N ARG 178.A O no hydrogen 3.013 N/A ALA 183.A N MET 179.A O no hydrogen 3.018 N/A ASP 184.A N GLN 181.A O no hydrogen 3.313 N/A SER 185.A N ALA 182.A O no hydrogen 3.080 N/A LEU 186.A N ALA 183.A O no hydrogen 3.169 N/A ASN 189.A N THR 151.A O no hydrogen 2.987 N/A ASN 189.A ND2 THR 152.A OG1 no hydrogen 2.840 N/A ASN 189.A ND2 ASP 429.A OD2 no hydrogen 2.730 N/A ILE 190.A N LEU 487.A O no hydrogen 3.120 N/A GLY 191.A N MET 153.A O no hydrogen 3.289 N/A LEU 193.A N GLY 155.A O no hydrogen 2.854 N/A GLY 194.A N GLY 214.A O no hydrogen 3.040 N/A LYS 195.A N GLN 207.A OE1 no hydrogen 3.002 N/A ASN 197.A ND2 ALA 217.A O no hydrogen 2.777 N/A ASN 197.A ND2 GLY 221.A O no hydrogen 2.674 N/A ALA 203.A N GLN 200.A O no hydrogen 3.092 N/A LEU 204.A N PRO 201.A O no hydrogen 3.000 N/A ARG 205.A N PRO 201.A O no hydrogen 2.946 N/A ARG 205.A NE GLU 236.A OE2 no hydrogen 2.969 N/A ARG 205.A NH1 ASP 202.A OD1 no hydrogen 2.913 N/A ARG 205.A NH2 GLU 236.A OE1 no hydrogen 3.230 N/A ARG 205.A NH2 GLU 236.A OE2 no hydrogen 3.454 N/A GLU 206.A N ASP 202.A O no hydrogen 3.139 N/A GLN 207.A NE2 LYS 195.A O no hydrogen 2.915 N/A GLN 207.A NE2 ALA 203.A O no hydrogen 3.265 N/A VAL 208.A N LEU 204.A O no hydrogen 2.970 N/A ALA 209.A N ARG 205.A O no hydrogen 2.821 N/A ALA 210.A N GLU 206.A O no hydrogen 2.807 N/A ALA 210.A N GLN 207.A O no hydrogen 3.108 N/A GLY 211.A N GLN 207.A O no hydrogen 3.191 N/A GLY 211.A N VAL 208.A O no hydrogen 3.144 N/A VAL 212.A N GLN 207.A O no hydrogen 3.484 N/A ILE 213.A N LEU 192.A O no hydrogen 2.774 N/A LEU 215.A N GLN 240.A O no hydrogen 2.889 N/A ALA 217.A N ASN 197.A OD1 no hydrogen 3.146 N/A TRP 220.A N ALA 217.A O no hydrogen 3.152 N/A TRP 220.A NE1 THR 167.A OG1 no hydrogen 2.963 N/A GLY 221.A N GLU 218.A O no hydrogen 2.764 N/A ALA 226.A N THR 223.A OG1 no hydrogen 3.375 N/A ILE 227.A N THR 223.A O no hydrogen 2.933 N/A ASP 228.A N PRO 224.A O no hydrogen 2.954 N/A CYS 229.A N ALA 225.A O no hydrogen 3.096 N/A CYS 229.A SG VAL 198.A O no hydrogen 3.332 N/A ALA 230.A N ALA 226.A O no hydrogen 2.998 N/A LEU 231.A N ILE 227.A O no hydrogen 3.037 N/A THR 232.A N ASP 228.A O no hydrogen 3.071 N/A THR 232.A OG1 ASP 228.A O no hydrogen 3.049 N/A VAL 233.A N CYS 229.A O no hydrogen 3.276 N/A ALA 234.A N ALA 230.A O no hydrogen 2.897 N/A ASP 235.A N LEU 231.A O no hydrogen 2.940 N/A GLU 236.A N THR 232.A O no hydrogen 3.194 N/A GLU 236.A N VAL 233.A O no hydrogen 3.001 N/A MET 237.A N VAL 233.A O no hydrogen 2.850 N/A MET 237.A N ALA 234.A O no hydrogen 3.191 N/A ASP 238.A N ALA 234.A O no hydrogen 2.883 N/A ILE 239.A N ALA 234.A O no hydrogen 3.471 N/A GLN 240.A N ILE 213.A O no hydrogen 3.494 N/A GLN 240.A NE2 THR 412.A O no hydrogen 2.887 N/A GLN 240.A NE2 CYS 515.A O no hydrogen 2.969 N/A VAL 241.A N GLN 240.A OE1 no hydrogen 2.814 N/A ALA 242.A N LEU 215.A O no hydrogen 2.949 N/A LEU 243.A N HIS 267.A O no hydrogen 2.793 N/A HIS 244.A N ILE 216.A O no hydrogen 2.764 N/A HIS 244.A NE2 GLU 218.A OE2 no hydrogen 2.913 N/A THR 247.A N GLU 218.A OE1 no hydrogen 3.063 N/A THR 247.A OG1 GLU 218.A OE1 no hydrogen 3.259 N/A THR 247.A OG1 GLU 218.A OE2 no hydrogen 2.632 N/A THR 247.A OG1 GLY 277.A O no hydrogen 3.206 N/A ASN 249.A N ASP 246.A O no hydrogen 3.100 N/A ASN 249.A ND2 ALA 279.A O no hydrogen 3.013 N/A GLU 250.A N ASP 246.A OD1 no hydrogen 3.351 N/A SER 251.A N ASP 246.A OD2 no hydrogen 2.903 N/A SER 251.A OG ASP 246.A OD2 no hydrogen 2.581 N/A PHE 253.A N ASP 256.A OD2 no hydrogen 2.985 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.939 N/A ASP 256.A N PHE 253.A O no hydrogen 3.051 N/A THR 257.A N PHE 253.A O no hydrogen 3.276 N/A THR 257.A OG1 HIS 278.A NE2 no hydrogen 2.581 N/A LEU 258.A N VAL 254.A O no hydrogen 2.878 N/A ALA 259.A N GLU 255.A O no hydrogen 2.939 N/A ALA 260.A N ASP 256.A O no hydrogen 2.783 N/A ILE 261.A N THR 257.A O no hydrogen 2.949 N/A GLY 262.A N LEU 258.A O no hydrogen 3.294 N/A ARG 264.A N ILE 261.A O no hydrogen 3.260 N/A ARG 264.A NE ILE 261.A O no hydrogen 2.843 N/A ARG 264.A NH1 ASP 228.A OD1 no hydrogen 3.061 N/A ARG 264.A NH2 ASP 228.A OD1 no hydrogen 2.851 N/A ARG 264.A NH2 ALA 260.A O no hydrogen 2.860 N/A ARG 264.A NH2 ILE 261.A O no hydrogen 3.505 N/A THR 265.A OG1 ARG 516.A O no hydrogen 2.722 N/A THR 265.A OG1 VAL 518.A O no hydrogen 3.199 N/A ILE 266.A N ASN 290.A O no hydrogen 3.071 N/A HIS 267.A N VAL 241.A O no hydrogen 2.898 N/A HIS 267.A ND1 HIS 413.A NE2 no hydrogen 3.101 N/A HIS 267.A NE2 SER 294.A OG no hydrogen 2.836 N/A THR 268.A N LEU 292.A O no hydrogen 3.046 N/A THR 268.A OG1 THR 271.A OG1 no hydrogen 2.911 N/A PHE 269.A N LEU 243.A O no hydrogen 3.024 N/A HIS 270.A ND1 HIS 270.A O no hydrogen 2.975 N/A THR 271.A N SER 294.A O no hydrogen 2.982 N/A THR 271.A OG1 THR 268.A O no hydrogen 3.183 N/A THR 271.A OG1 THR 268.A OG1 no hydrogen 2.911 N/A THR 271.A OG1 SER 294.A O no hydrogen 3.481 N/A GLY 273.A N HIS 270.A O no hydrogen 2.959 N/A ALA 274.A N GLU 272.A OE1 no hydrogen 2.819 N/A GLY 276.A N GLY 273.A O no hydrogen 2.906 N/A GLY 277.A N THR 247.A OG1 no hydrogen 2.994 N/A HIS 278.A N SER 245.A OG no hydrogen 3.062 N/A HIS 278.A ND1 ASN 249.A OD1 no hydrogen 2.763 N/A HIS 278.A NE2 THR 257.A OG1 no hydrogen 2.581 N/A ALA 279.A N THR 247.A O no hydrogen 3.400 N/A ILE 282.A N HIS 278.A O no hydrogen 3.110 N/A THR 284.A N ASP 281.A O no hydrogen 3.170 N/A THR 284.A OG1 ASP 281.A O no hydrogen 2.820 N/A ALA 285.A N ILE 282.A O no hydrogen 2.964 N/A CYS 286.A N ILE 283.A O no hydrogen 3.400 N/A CYS 286.A SG ILE 283.A O no hydrogen 3.357 N/A ALA 287.A N THR 284.A O no hydrogen 3.333 N/A HIS 288.A N ALA 285.A O no hydrogen 3.079 N/A ASN 290.A ND2 ARG 264.A O no hydrogen 2.798 N/A ILE 291.A N HIS 288.A O no hydrogen 3.463 N/A LEU 292.A N ILE 266.A O no hydrogen 2.974 N/A SER 294.A N THR 268.A O no hydrogen 3.195 N/A SER 294.A OG HIS 267.A NE2 no hydrogen 2.836 N/A SER 294.A OG THR 268.A O no hydrogen 3.306 N/A SER 295.A N LEU 354.A O no hydrogen 2.933 N/A SER 295.A OG GLU 343.A OE2 no hydrogen 2.595 N/A ASN 297.A N SER 357.A O no hydrogen 3.404 N/A ASN 297.A ND2 ARG 364.A O no hydrogen 2.734 N/A THR 299.A OG1 GLU 343.A OE1 no hydrogen 2.660 N/A LEU 300.A N ASN 297.A O no hydrogen 2.985 N/A TYR 302.A N ASP 344.A OD2 no hydrogen 2.805 N/A THR 303.A N THR 306.A OG1 no hydrogen 2.964 N/A THR 303.A OG1 THR 306.A OG1 no hydrogen 2.997 N/A LEU 304.A N ALA 553.A O no hydrogen 2.848 N/A THR 306.A OG1 THR 303.A O no hydrogen 3.124 N/A THR 306.A OG1 THR 303.A OG1 no hydrogen 2.997 N/A GLU 309.A N ASN 305.A O no hydrogen 3.392 N/A HIS 310.A N ILE 307.A O no hydrogen 2.961 N/A HIS 310.A ND1 THR 306.A O no hydrogen 2.799 N/A LEU 314.A N HIS 310.A O no hydrogen 3.061 N/A MET 315.A N LEU 311.A O no hydrogen 3.127 N/A VAL 316.A N ASP 312.A O no hydrogen 3.139 N/A CYS 317.A N MET 313.A O no hydrogen 3.091 N/A CYS 317.A SG HIS 165.A O no hydrogen 3.642 N/A HIS 318.A N LEU 314.A O no hydrogen 3.166 N/A HIS 318.A ND1 ASP 219.A OD2 no hydrogen 3.008 N/A HIS 319.A NE2 ALA 162.A O no hydrogen 2.853 N/A LEU 320.A N MET 315.A O no hydrogen 3.142 N/A ASP 321.A N ASP 327.A OD2 no hydrogen 2.829 N/A ASP 323.A N ASP 321.A OD1 no hydrogen 3.069 N/A ILE 324.A N ASP 321.A O no hydrogen 2.933 N/A ASP 327.A N ILE 324.A O no hydrogen 2.823 N/A VAL 328.A N ILE 324.A O no hydrogen 3.146 N/A ALA 329.A N ALA 325.A O no hydrogen 2.937 N/A PHE 330.A N GLU 326.A O no hydrogen 3.232 N/A ALA 331.A N ASP 327.A O no hydrogen 3.190 N/A GLU 332.A N VAL 328.A O no hydrogen 2.947 N/A SER 333.A N ALA 329.A O no hydrogen 2.945 N/A SER 333.A OG PHE 330.A O no hydrogen 2.897 N/A ARG 334.A N ALA 331.A O no hydrogen 3.117 N/A ARG 334.A NE ALA 274.A O no hydrogen 3.060 N/A ARG 334.A NH2 ALA 274.A O no hydrogen 3.209 N/A ARG 334.A NH2 HIS 318.A NE2 no hydrogen 2.971 N/A ILE 335.A N GLU 332.A O no hydrogen 3.365 N/A ARG 336.A NE THR 339.A OG1 no hydrogen 3.245 N/A ARG 336.A NH1 SER 333.A O no hydrogen 3.070 N/A ARG 337.A NH1 TYR 302.A OH no hydrogen 2.862 N/A THR 339.A OG1 GLU 272.A OE2 no hydrogen 2.558 N/A THR 339.A OG1 ARG 336.A O no hydrogen 3.253 N/A ILE 340.A N ARG 336.A O no hydrogen 3.090 N/A ALA 341.A N ARG 337.A O no hydrogen 2.960 N/A ALA 342.A N GLU 338.A O no hydrogen 3.293 N/A GLU 343.A N THR 339.A O no hydrogen 3.001 N/A LEU 346.A N ALA 342.A O no hydrogen 2.975 N/A HIS 347.A N GLU 343.A O no hydrogen 3.107 N/A HIS 347.A N ASP 344.A O no hydrogen 3.261 N/A HIS 347.A NE2 LEU 354.A O no hydrogen 3.185 N/A ASP 348.A N ASP 344.A O no hydrogen 3.164 N/A LEU 349.A N VAL 345.A O no hydrogen 2.853 N/A GLY 350.A N HIS 347.A O no hydrogen 3.032 N/A ALA 351.A N LEU 346.A O no hydrogen 2.791 N/A PHE 352.A N LEU 346.A O no hydrogen 3.184 N/A SER 353.A N PRO 293.A O no hydrogen 3.074 N/A SER 353.A OG ASN 526.A O no hydrogen 2.556 N/A LEU 354.A N PRO 293.A O no hydrogen 3.162 N/A THR 355.A N LYS 404.A O no hydrogen 3.266 N/A THR 355.A OG1 THR 372.A OG1 no hydrogen 2.897 N/A SER 356.A N SER 295.A O no hydrogen 2.745 N/A SER 356.A OG SER 295.A O no hydrogen 3.067 N/A SER 357.A N ASP 131.A OD1 no hydrogen 3.007 N/A SER 357.A OG ASP 131.A OD2 no hydrogen 2.611 N/A ASP 358.A N HIS 133.A O no hydrogen 3.117 N/A SER 359.A N SER 357.A OG no hydrogen 3.058 N/A SER 359.A OG HIS 135.A O no hydrogen 3.487 N/A GLN 360.A N GLY 363.A O no hydrogen 3.029 N/A GLN 360.A NE2 GLN 141.A OE1 no hydrogen 2.703 N/A ALA 361.A N ASP 358.A O no hydrogen 2.893 N/A ARG 364.A N ASN 297.A OD1 no hydrogen 2.854 N/A ARG 364.A NH1 GLU 309.A OE2 no hydrogen 3.020 N/A ARG 364.A NH2 GLU 309.A OE2 no hydrogen 2.631 N/A GLU 367.A N ARG 364.A O no hydrogen 3.015 N/A ARG 371.A N GLU 367.A O no hydrogen 3.056 N/A ARG 371.A NE GLU 367.A OE1 no hydrogen 2.796 N/A ARG 371.A NH1 ASN 297.A O no hydrogen 3.256 N/A ARG 371.A NH1 LEU 300.A O no hydrogen 2.832 N/A ARG 371.A NH2 GLU 367.A OE1 no hydrogen 3.091 N/A THR 372.A N VAL 368.A O no hydrogen 3.263 N/A THR 372.A OG1 THR 355.A OG1 no hydrogen 2.897 N/A THR 372.A OG1 VAL 368.A O no hydrogen 2.658 N/A TRP 373.A N ILE 369.A O no hydrogen 3.158 N/A TRP 373.A NE1 TYR 405.A OH no hydrogen 3.010 N/A GLN 374.A N LEU 370.A O no hydrogen 3.132 N/A GLN 374.A NE2 PRO 557.A O no hydrogen 2.913 N/A VAL 375.A N ARG 371.A O no hydrogen 2.969 N/A ALA 376.A N THR 372.A O no hydrogen 3.134 N/A HIS 377.A N TRP 373.A O no hydrogen 2.976 N/A ARG 378.A N GLN 374.A O no hydrogen 3.013 N/A ARG 378.A NH2 GLU 551.A O no hydrogen 3.169 N/A MET 379.A N VAL 375.A O no hydrogen 2.902 N/A LYS 380.A N ALA 376.A O no hydrogen 3.005 N/A LYS 380.A NZ GLU 26.A O no hydrogen 2.782 N/A LYS 380.A NZ ASP 394.A OD1 no hydrogen 3.470 N/A LYS 380.A NZ ASP 394.A OD2 no hydrogen 2.900 N/A VAL 381.A N HIS 377.A O no hydrogen 2.964 N/A GLN 382.A N ARG 378.A O no hydrogen 3.081 N/A GLN 382.A NE2 ARG 378.A O no hydrogen 2.918 N/A ARG 383.A N MET 379.A O no hydrogen 2.689 N/A ARG 383.A NE ASP 348.A OD2 no hydrogen 2.920 N/A ARG 383.A NH2 ASP 348.A OD2 no hydrogen 3.138 N/A GLY 384.A N LYS 380.A O no hydrogen 2.792 N/A GLU 389.A N LEU 386.A O no hydrogen 2.933 N/A ASN 393.A ND2 THR 390.A O no hydrogen 3.266 N/A ASP 394.A N TRP 28.A O no hydrogen 2.957 N/A ASN 395.A ND2 GLU 30.A O no hydrogen 2.918 N/A ASN 395.A ND2 GLU 32.A OE2 no hydrogen 3.240 N/A PHE 396.A N GLU 389.A OE1 no hydrogen 3.242 N/A ARG 397.A N GLU 389.A OE2 no hydrogen 2.762 N/A ARG 397.A NE ASP 348.A OD1 no hydrogen 2.967 N/A ARG 397.A NH1 GLY 384.A O no hydrogen 2.933 N/A ARG 397.A NH2 ASP 348.A OD1 no hydrogen 3.509 N/A ARG 397.A NH2 ASP 348.A OD2 no hydrogen 3.047 N/A ARG 397.A NH2 GLY 384.A O no hydrogen 2.729 N/A VAL 398.A N ASP 394.A O no hydrogen 2.920 N/A LYS 399.A N ASN 395.A O no hydrogen 3.026 N/A LYS 399.A NZ GLU 32.A OE1 no hydrogen 3.534 N/A LYS 399.A NZ GLU 32.A OE2 no hydrogen 3.169 N/A ARG 400.A N PHE 396.A O no hydrogen 2.882 N/A ARG 400.A NE HIS 525.A O no hydrogen 2.817 N/A ARG 400.A NH1 ASP 348.A O no hydrogen 2.716 N/A ARG 400.A NH2 GLU 388.A OE2 no hydrogen 3.426 N/A ARG 400.A NH2 HIS 525.A O no hydrogen 3.278 N/A TYR 401.A N ARG 397.A O no hydrogen 2.966 N/A TYR 401.A OH ASP 348.A OD1 no hydrogen 2.886 N/A ILE 402.A N VAL 398.A O no hydrogen 2.928 N/A ALA 403.A N LYS 399.A O no hydrogen 3.324 N/A LYS 404.A N TYR 401.A O no hydrogen 3.145 N/A LYS 404.A NZ HIS 347.A O no hydrogen 2.965 N/A LYS 404.A NZ PHE 352.A O no hydrogen 2.840 N/A LYS 404.A NZ ASN 526.A OD1 no hydrogen 2.596 N/A TYR 405.A N ILE 402.A O no hydrogen 3.340 N/A THR 406.A N ALA 403.A O no hydrogen 3.357 N/A THR 406.A OG1 ILE 402.A O no hydrogen 2.752 N/A ASN 408.A N ALA 403.A O no hydrogen 3.044 N/A ASN 408.A ND2 SER 353.A O no hydrogen 3.135 N/A ASN 408.A ND2 VAL 524.A O no hydrogen 3.271 N/A ALA 410.A N THR 406.A O no hydrogen 3.326 N/A LEU 411.A N ILE 407.A O no hydrogen 2.831 N/A THR 412.A N ASN 408.A O no hydrogen 3.043 N/A THR 412.A OG1 ASN 408.A O no hydrogen 2.866 N/A HIS 413.A N PRO 409.A O no hydrogen 3.203 N/A HIS 413.A NE2 HIS 267.A ND1 no hydrogen 3.101 N/A GLY 414.A N LEU 411.A O no hydrogen 3.313 N/A ILE 415.A N ALA 410.A O no hydrogen 2.986 N/A GLU 418.A N ILE 415.A O no hydrogen 2.827 N/A VAL 419.A N ILE 415.A O no hydrogen 3.193 N/A SER 421.A OG GLU 423.A OE2 no hydrogen 2.815 N/A ILE 422.A N ASP 76.A OD2 no hydrogen 2.881 N/A GLY 425.A N ILE 92.A O no hydrogen 2.816 N/A LYS 426.A N GLU 423.A O no hydrogen 3.091 N/A LYS 426.A NZ ALA 416.A O no hydrogen 2.839 N/A LYS 426.A NZ VAL 419.A O no hydrogen 3.001 N/A LYS 426.A NZ SER 421.A OG no hydrogen 2.841 N/A LEU 427.A N GLU 418.A O no hydrogen 2.863 N/A ALA 428.A N GLY 90.A O no hydrogen 2.801 N/A ASP 429.A N LEU 427.A O no hydrogen 2.851 N/A LEU 430.A N ILE 446.A O no hydrogen 3.000 N/A VAL 431.A N THR 126.A O no hydrogen 2.934 N/A VAL 432.A N THR 444.A O no hydrogen 2.844 N/A TRP 433.A N ILE 124.A O no hydrogen 2.805 N/A TRP 433.A NE1 THR 126.A OG1 no hydrogen 2.984 N/A PHE 437.A N SER 434.A O no hydrogen 2.892 N/A VAL 440.A N PHE 437.A O no hydrogen 2.942 N/A LYS 441.A N PHE 437.A O no hydrogen 3.122 N/A LYS 441.A NZ TYR 562.A O no hydrogen 2.875 N/A ALA 443.A N VAL 432.A O no hydrogen 2.737 N/A THR 444.A N VAL 432.A O no hydrogen 3.237 N/A VAL 445.A N ILE 453.A O no hydrogen 3.162 N/A ILE 446.A N LEU 430.A O no hydrogen 2.785 N/A LYS 447.A N MET 450.A O no hydrogen 2.738 N/A LYS 447.A NZ ASN 189.A OD1 no hydrogen 3.138 N/A LYS 447.A NZ ASP 429.A OD1 no hydrogen 2.933 N/A LYS 447.A NZ ASP 429.A OD2 no hydrogen 3.544 N/A LYS 447.A NZ CYS 485.A O no hydrogen 2.696 N/A GLY 448.A N ASP 429.A OD1 no hydrogen 3.027 N/A GLY 449.A N ALA 428.A O no hydrogen 3.310 N/A MET 450.A N LYS 447.A O no hydrogen 3.107 N/A ALA 452.A N VAL 445.A O no hydrogen 2.871 N/A ALA 454.A N ARG 472.A O no hydrogen 3.462 N/A MET 456.A N HIS 470.A O no hydrogen 2.941 N/A GLY 457.A N PRO 464.A O no hydrogen 3.058 N/A ASP 458.A N PRO 466.A O no hydrogen 2.977 N/A ASN 460.A N ASP 458.A OD1 no hydrogen 3.175 N/A ALA 461.A N ASP 458.A O no hydrogen 3.276 N/A HIS 470.A N MET 456.A O no hydrogen 3.264 N/A TYR 471.A OH PRO 442.A O no hydrogen 2.658 N/A ARG 472.A N ALA 454.A O no hydrogen 3.137 N/A ARG 472.A NE MET 456.A O no hydrogen 2.941 N/A ARG 472.A NH2 MET 456.A O no hydrogen 2.894 N/A MET 474.A N ALA 452.A O no hydrogen 2.874 N/A GLY 476.A N ILE 451.A O no hydrogen 3.050 N/A ALA 477.A N MET 474.A O no hydrogen 2.932 N/A LEU 478.A N PHE 475.A O no hydrogen 3.083 N/A ARG 482.A N LEU 478.A O no hydrogen 2.926 N/A ARG 482.A NE ALA 477.A O no hydrogen 3.342 N/A HIS 483.A N GLY 479.A O no hydrogen 3.345 N/A HIS 484.A N SER 480.A O no hydrogen 3.130 N/A CYS 485.A N ARG 482.A O no hydrogen 2.886 N/A CYS 485.A SG GLY 448.A O no hydrogen 3.860 N/A CYS 485.A SG ALA 481.A O no hydrogen 3.299 N/A ARG 486.A NE LEU 186.A O no hydrogen 2.860 N/A ARG 486.A NE VAL 188.A O no hydrogen 3.094 N/A ARG 486.A NH1 THR 488.A OG1 no hydrogen 2.807 N/A ARG 486.A NH1 SER 507.A OG no hydrogen 2.955 N/A ARG 486.A NH2 VAL 188.A O no hydrogen 2.893 N/A LEU 487.A N ASN 189.A OD1 no hydrogen 2.987 N/A THR 488.A N ALA 508.A O no hydrogen 2.864 N/A PHE 489.A N ILE 190.A O no hydrogen 2.938 N/A LEU 490.A N ALA 510.A O no hydrogen 2.809 N/A SER 491.A OG VAL 208.A O no hydrogen 2.719 N/A GLN 492.A NE2 ASP 238.A OD2 no hydrogen 2.701 N/A GLN 492.A NE2 VAL 512.A O no hydrogen 3.028 N/A ALA 494.A N SER 491.A OG no hydrogen 3.117 N/A ALA 495.A N SER 491.A O no hydrogen 2.974 N/A ALA 496.A N GLN 492.A O no hydrogen 3.018 N/A ASN 497.A N ALA 493.A O no hydrogen 2.853 N/A GLY 498.A N ALA 495.A O no hydrogen 3.019 N/A VAL 499.A N ALA 494.A O no hydrogen 3.105 N/A ARG 502.A N GLY 498.A O no hydrogen 2.975 N/A LEU 503.A N VAL 499.A O no hydrogen 2.889 N/A ASN 504.A N GLU 501.A O no hydrogen 3.269 N/A LEU 505.A N ALA 500.A O no hydrogen 2.870 N/A ARG 506.A N ASP 184.A OD2 no hydrogen 2.993 N/A SER 507.A N ASP 184.A OD1 no hydrogen 3.029 N/A SER 507.A OG ASP 184.A OD1 no hydrogen 2.554 N/A ALA 508.A N HIS 483.A O no hydrogen 3.366 N/A ALA 510.A N THR 488.A O no hydrogen 3.052 N/A VAL 512.A N LEU 490.A O no hydrogen 3.121 N/A LYS 513.A N GLY 414.A O no hydrogen 3.086 N/A GLY 514.A N ASP 238.A OD2 no hydrogen 3.096 N/A CYS 515.A N ASP 238.A OD1 no hydrogen 3.004 N/A CYS 515.A SG ASP 238.A O no hydrogen 3.571 N/A CYS 515.A SG HIS 413.A O no hydrogen 3.504 N/A ARG 516.A NE ILE 239.A O no hydrogen 3.093 N/A ARG 516.A NH1 ASP 235.A OD1 no hydrogen 2.829 N/A ARG 516.A NH1 THR 265.A O no hydrogen 3.411 N/A ARG 516.A NH2 THR 265.A O no hydrogen 3.031 N/A GLN 519.A N ASP 522.A OD2 no hydrogen 3.135 N/A LYS 520.A N PRO 289.A O no hydrogen 2.784 N/A LYS 520.A NZ ALA 351.A O no hydrogen 2.788 N/A LYS 520.A NZ LEU 528.A O no hydrogen 2.819 N/A ASP 522.A N GLN 519.A O no hydrogen 2.954 N/A MET 523.A N LYS 520.A O no hydrogen 2.939 N/A HIS 525.A NE2 HIS 77.A O no hydrogen 3.087 N/A ASN 526.A N MET 523.A O no hydrogen 3.002 N/A ASN 526.A ND2 ARG 400.A O no hydrogen 3.086 N/A ASN 526.A ND2 VAL 524.A O no hydrogen 2.776 N/A LEU 528.A N GLY 350.A O no hydrogen 3.144 N/A GLN 529.A NE2 ALA 287.A O no hydrogen 3.666 N/A THR 533.A N ARG 542.A O no hydrogen 2.704 N/A THR 533.A OG1 ARG 542.A O no hydrogen 3.347 N/A ASP 535.A N GLU 540.A O no hydrogen 2.893 N/A GLN 537.A N ASP 535.A OD1 no hydrogen 2.944 N/A THR 538.A N ASP 535.A OD1 no hydrogen 2.926 N/A TYR 539.A N ASP 535.A O no hydrogen 2.650 N/A ARG 542.A N THR 533.A O no hydrogen 2.796 N/A ARG 542.A NH1 GLY 545.A O no hydrogen 2.958 N/A ARG 542.A NH2 GLU 540.A OE1 no hydrogen 3.335 N/A VAL 543.A N GLU 546.A O no hydrogen 2.937 N/A ASP 544.A N ASN 531.A O no hydrogen 2.923 N/A GLU 546.A N VAL 543.A O no hydrogen 3.122 N/A ILE 548.A N VAL 541.A O no hydrogen 3.123 N/A SER 550.A OG ALA 341.A O no hydrogen 2.891 N/A GLU 551.A N GLN 382.A OE1 no hydrogen 2.921 N/A ALA 553.A N TYR 302.A O no hydrogen 2.970 N/A MET 558.A N ASP 24.A OD1 no hydrogen 2.990 N/A MET 558.A N ASP 24.A OD2 no hydrogen 3.390 N/A TYR 562.A N ALA 559.A O no hydrogen 3.208 N/A TYR 562.A OH ASP 24.A OD1 no hydrogen 3.299 N/A TYR 562.A OH ALA 436.A O no hydrogen 2.744 N/A