Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nur_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N GLU 476.A OE1 no hydrogen 2.829 N/A LYS 5.A NZ GLU 2.A OE2 no hydrogen 3.026 N/A LYS 5.A NZ THR 3.A O no hydrogen 3.022 N/A LYS 5.A NZ ASP 473.A OD1 no hydrogen 2.986 N/A THR 8.A N GLN 477.A OE1 no hydrogen 3.010 N/A THR 8.A OG1 THR 11.A OG1 no hydrogen 3.256 N/A THR 8.A OG1 GLN 477.A OE1 no hydrogen 2.996 N/A THR 11.A N THR 8.A OG1 no hydrogen 3.179 N/A THR 11.A OG1 THR 8.A OG1 no hydrogen 3.256 N/A THR 11.A OG1 GLN 477.A OE1 no hydrogen 2.625 N/A LYS 12.A N THR 8.A O no hydrogen 3.030 N/A ALA 13.A N ASP 9.A O no hydrogen 2.928 N/A ALA 14.A N ALA 10.A O no hydrogen 2.960 N/A ASN 15.A N THR 11.A O no hydrogen 2.983 N/A ASN 15.A ND2 TYR 480.A O no hydrogen 3.091 N/A ASP 16.A N LYS 12.A O no hydrogen 2.833 N/A ALA 17.A N ALA 13.A O no hydrogen 2.979 N/A LEU 18.A N ASN 15.A O no hydrogen 3.148 N/A LEU 19.A N ASP 16.A O no hydrogen 3.076 N/A LYS 20.A N ALA 17.A O no hydrogen 3.217 N/A GLU 21.A N LEU 18.A O no hydrogen 3.065 N/A LEU 22.A N LEU 18.A O no hydrogen 3.168 N/A ASP 26.A N PRO 23.A O no hydrogen 2.958 N/A LYS 27.A NZ PHE 24.A O no hydrogen 3.226 N/A THR 28.A N ASP 26.A OD1 no hydrogen 2.935 N/A THR 28.A OG1 ASP 26.A OD1 no hydrogen 2.697 N/A PHE 30.A N LYS 27.A O no hydrogen 2.961 N/A ASP 31.A N LYS 27.A O no hydrogen 3.259 N/A LEU 32.A N THR 28.A O no hydrogen 2.976 N/A ALA 33.A N SER 29.A O no hydrogen 2.906 N/A HIS 34.A N PHE 30.A O no hydrogen 3.013 N/A HIS 34.A NE2 GLU 65.A OE1 no hydrogen 3.135 N/A HIS 34.A NE2 GLU 65.A OE2 no hydrogen 2.607 N/A LYS 35.A N LEU 32.A O no hydrogen 3.396 N/A ILE 38.A N LEU 89.A O no hydrogen 2.806 N/A ALA 39.A N LEU 89.A O no hydrogen 3.364 N/A ILE 46.A N TRP 55.A O no hydrogen 2.835 N/A GLY 48.A N ASN 52.A O no hydrogen 2.756 N/A GLY 51.A N GLY 48.A O no hydrogen 2.816 N/A ILE 54.A N ILE 46.A O no hydrogen 2.818 N/A TRP 55.A N ILE 46.A O no hydrogen 3.102 N/A SER 58.A N ASP 56.A OD1 no hydrogen 2.898 N/A SER 58.A OG ASP 56.A OD1 no hydrogen 2.769 N/A SER 58.A OG ASP 56.A OD2 no hydrogen 3.478 N/A LYS 59.A N ASP 56.A O no hydrogen 3.127 N/A TYR 60.A OH GLN 216.A OE1 no hydrogen 2.615 N/A GLY 61.A N SER 58.A O no hydrogen 3.017 N/A ILE 63.A N TYR 60.A O no hydrogen 2.963 N/A LYS 64.A N GLU 67.A OE1 no hydrogen 2.978 N/A LYS 64.A NZ GLY 61.A O no hydrogen 3.350 N/A GLU 67.A N LYS 64.A O no hydrogen 3.175 N/A THR 72.A OG1 ALA 213.A O no hydrogen 2.775 N/A THR 73.A N PRO 70.A O no hydrogen 3.022 N/A THR 73.A OG1 PRO 70.A O no hydrogen 2.905 N/A ASN 74.A ND2 GLN 481.A O no hydrogen 2.954 N/A SER 76.A N ASN 74.A OD1 no hydrogen 2.873 N/A SER 76.A OG TYR 386.A OH no hydrogen 2.606 N/A SER 76.A OG GLU 483.A OE2 no hydrogen 2.669 N/A LEU 77.A N ASN 74.A OD1 no hydrogen 3.177 N/A TRP 78.A N ASN 74.A O no hydrogen 2.842 N/A TRP 78.A NE1 GLU 67.A O no hydrogen 2.933 N/A ARG 79.A N PRO 75.A O no hydrogen 3.082 N/A ARG 79.A NH1 SER 29.A OG no hydrogen 2.980 N/A ARG 79.A NH2 ASP 26.A O no hydrogen 2.848 N/A ARG 79.A NH2 SER 29.A OG no hydrogen 3.356 N/A GLN 80.A N SER 76.A O no hydrogen 3.045 N/A GLN 80.A NE2 GLY 220.A O no hydrogen 3.156 N/A GLN 80.A NE2 HIS 285.A O no hydrogen 3.389 N/A SER 81.A N LEU 77.A O no hydrogen 2.835 N/A SER 81.A OG LEU 77.A O no hydrogen 2.770 N/A SER 81.A OG LEU 217.A O no hydrogen 3.485 N/A GLN 82.A N TRP 78.A O no hydrogen 3.007 N/A GLN 82.A NE2 LYS 64.A O no hydrogen 2.939 N/A LEU 83.A N ARG 79.A O no hydrogen 3.127 N/A ILE 84.A N GLN 80.A O no hydrogen 2.953 N/A ASN 85.A N GLN 82.A O no hydrogen 3.335 N/A ASN 85.A ND2 SER 81.A O no hydrogen 2.938 N/A ILE 86.A N LEU 83.A O no hydrogen 3.100 N/A SER 87.A OG ASN 85.A O no hydrogen 2.719 N/A GLY 88.A N ARG 100.A O no hydrogen 3.116 N/A LEU 89.A N ALA 39.A O no hydrogen 2.780 N/A PHE 90.A N GLN 98.A O no hydrogen 2.776 N/A GLU 91.A N GLY 36.A O no hydrogen 2.717 N/A VAL 92.A N ILE 96.A O no hydrogen 2.763 N/A THR 93.A N ILE 96.A O no hydrogen 3.413 N/A ILE 96.A N THR 93.A O no hydrogen 2.886 N/A TYR 97.A N ILE 109.A O no hydrogen 2.913 N/A GLN 98.A N PHE 90.A O no hydrogen 2.860 N/A GLN 98.A NE2 THR 108.A OG1 no hydrogen 3.011 N/A GLN 98.A NE2 ALA 324.A O no hydrogen 2.903 N/A VAL 99.A N MET 107.A O no hydrogen 2.910 N/A ARG 100.A N GLY 88.A O no hydrogen 2.839 N/A ARG 100.A NH2 ALA 33.A O no hydrogen 2.948 N/A ASN 101.A ND2 SER 87.A OG no hydrogen 2.820 N/A LEU 104.A N ASP 103.A OD1 no hydrogen 2.836 N/A SER 105.A OG ASP 155.A O no hydrogen 2.669 N/A ASN 106.A N MET 325.A O no hydrogen 2.835 N/A ASN 106.A ND2 ALA 324.A O no hydrogen 3.129 N/A ASN 106.A ND2 HIS 327.A O no hydrogen 2.764 N/A MET 107.A N VAL 99.A O no hydrogen 3.096 N/A THR 108.A N PHE 119.A O no hydrogen 3.176 N/A ILE 109.A N TYR 97.A O no hydrogen 2.787 N/A VAL 110.A N THR 117.A O no hydrogen 2.885 N/A GLU 111.A N GLY 95.A O no hydrogen 2.792 N/A GLY 112.A N GLY 115.A O no hydrogen 2.935 N/A LYS 113.A N ASP 249.A O no hydrogen 2.755 N/A LYS 113.A NZ ASP 114.A OD2 no hydrogen 3.292 N/A ASP 114.A N ASP 249.A OD1 no hydrogen 2.858 N/A GLY 115.A N ASP 249.A OD2 no hydrogen 3.014 N/A ILE 116.A N PRO 143.A O no hydrogen 2.954 N/A THR 117.A N VAL 110.A O no hydrogen 2.916 N/A ILE 118.A N ALA 146.A O no hydrogen 3.024 N/A PHE 119.A N THR 108.A O no hydrogen 2.845 N/A ASP 120.A N ILE 148.A O no hydrogen 2.917 N/A LEU 122.A N ASP 120.A O no hydrogen 2.800 N/A ILE 123.A N ASP 103.A OD2 no hydrogen 3.086 N/A SER 124.A OG SER 226.A OG no hydrogen 2.616 N/A GLN 125.A N THR 229.A O no hydrogen 2.925 N/A GLU 126.A N GLU 126.A OE1 no hydrogen 2.750 N/A THR 127.A OG1 ASP 103.A OD2 no hydrogen 2.893 N/A THR 127.A OG1 SER 124.A O no hydrogen 3.097 N/A ALA 128.A N SER 124.A O no hydrogen 3.121 N/A LYS 129.A N GLN 125.A O no hydrogen 2.948 N/A LYS 129.A NZ ASP 133.A OD1 no hydrogen 3.506 N/A LYS 129.A NZ ASP 133.A OD2 no hydrogen 3.008 N/A ALA 130.A N GLU 126.A O no hydrogen 3.163 N/A ALA 131.A N THR 127.A O no hydrogen 2.813 N/A LEU 132.A N ALA 128.A O no hydrogen 2.890 N/A ASP 133.A N LYS 129.A O no hydrogen 2.853 N/A LEU 134.A N ALA 130.A O no hydrogen 3.021 N/A TYR 135.A N ALA 131.A O no hydrogen 3.137 N/A TYR 135.A OH GLU 111.A OE2 no hydrogen 2.595 N/A TYR 136.A N LEU 132.A O no hydrogen 2.883 N/A TYR 136.A OH LYS 142.A O no hydrogen 2.630 N/A LYS 137.A N ASP 133.A O no hydrogen 3.088 N/A LYS 137.A N LEU 134.A O no hydrogen 3.173 N/A HIS 138.A N TYR 135.A O no hydrogen 2.883 N/A ARG 139.A N TYR 135.A O no hydrogen 2.884 N/A ARG 139.A NE GLU 111.A OE2 no hydrogen 2.818 N/A ARG 139.A NH2 GLU 111.A OE1 no hydrogen 2.871 N/A ARG 139.A NH2 GLU 111.A OE2 no hydrogen 3.404 N/A LYS 141.A NZ TYR 136.A O no hydrogen 2.903 N/A VAL 145.A N ILE 116.A O no hydrogen 2.855 N/A VAL 147.A N LYS 175.A O no hydrogen 2.947 N/A ILE 148.A N ILE 118.A O no hydrogen 2.824 N/A TYR 149.A N TYR 177.A O no hydrogen 2.897 N/A TYR 149.A OH ILE 233.A O no hydrogen 2.669 N/A THR 150.A N ASP 120.A OD1 no hydrogen 2.745 N/A THR 150.A OG1 ASP 120.A OD1 no hydrogen 3.392 N/A THR 150.A OG1 ASP 120.A OD2 no hydrogen 2.586 N/A THR 150.A OG1 HIS 151.A ND1 no hydrogen 2.825 N/A HIS 151.A ND1 THR 150.A OG1 no hydrogen 2.825 N/A HIS 151.A NE2 GLU 281.A OE1 no hydrogen 2.878 N/A SER 152.A N ALA 265.A O no hydrogen 3.171 N/A ASP 155.A N ASP 155.A OD1 no hydrogen 2.633 N/A HIS 156.A N HIS 153.A O no hydrogen 2.928 N/A HIS 156.A ND1 ASP 120.A OD2 no hydrogen 2.719 N/A TYR 157.A N VAL 154.A O no hydrogen 3.359 N/A GLY 158.A N VAL 154.A O no hydrogen 2.921 N/A GLY 159.A N LEU 122.A O no hydrogen 2.989 N/A VAL 160.A N TYR 157.A O no hydrogen 2.969 N/A ARG 161.A N THR 231.A OG1 no hydrogen 3.128 N/A ARG 161.A NE ASP 514.A OD2 no hydrogen 2.747 N/A ARG 161.A NH1 GLU 166.A OE1 no hydrogen 2.840 N/A ARG 161.A NH2 GLU 166.A OE1 no hydrogen 2.868 N/A ARG 161.A NH2 ASP 514.A OD1 no hydrogen 3.073 N/A ARG 161.A NH2 ASP 514.A OD2 no hydrogen 3.488 N/A GLY 162.A N GLY 159.A O no hydrogen 2.823 N/A VAL 163.A N VAL 160.A O no hydrogen 2.966 N/A VAL 164.A N VAL 160.A O no hydrogen 3.070 N/A ALA 167.A N ASP 165.A OD1 no hydrogen 2.939 N/A ASP 168.A N ASP 165.A O no hydrogen 2.917 N/A LYS 170.A N GLU 166.A O no hydrogen 2.908 N/A ALA 171.A N ALA 167.A O no hydrogen 2.908 N/A GLY 172.A N VAL 169.A O no hydrogen 3.035 N/A LYS 173.A N ASP 168.A O no hydrogen 2.896 N/A VAL 174.A N ASP 168.A O no hydrogen 3.174 N/A LYS 175.A N VAL 145.A O no hydrogen 3.350 N/A ILE 176.A N THR 236.A OG1 no hydrogen 2.852 N/A TYR 177.A N VAL 147.A O no hydrogen 2.871 N/A ALA 178.A N ASP 237.A O no hydrogen 3.068 N/A LEU 180.A N ILE 239.A O no hydrogen 2.856 N/A PHE 182.A N PRO 179.A O no hydrogen 2.936 N/A HIS 185.A N GLY 181.A O no hydrogen 3.090 N/A HIS 185.A ND1 GLY 181.A O no hydrogen 3.026 N/A ALA 186.A N PHE 182.A O no hydrogen 2.834 N/A VAL 187.A N LEU 183.A O no hydrogen 3.141 N/A ALA 188.A N GLU 184.A O no hydrogen 3.147 N/A GLU 189.A N HIS 185.A O no hydrogen 2.920 N/A ASN 190.A N ALA 186.A O no hydrogen 3.402 N/A ASN 190.A ND2 TYR 157.A OH no hydrogen 3.088 N/A VAL 191.A N ALA 188.A O no hydrogen 3.174 N/A MET 192.A N ALA 188.A O no hydrogen 3.134 N/A GLY 194.A N VAL 191.A O no hydrogen 3.204 N/A MET 197.A N ALA 193.A O no hydrogen 2.914 N/A SER 198.A N GLY 194.A O no hydrogen 2.912 N/A SER 198.A OG GLY 194.A O no hydrogen 2.910 N/A ARG 199.A N THR 195.A O no hydrogen 2.963 N/A ARG 199.A NE PHE 628.A O no hydrogen 2.930 N/A ARG 199.A NH1 SER 202.A OG no hydrogen 3.280 N/A ARG 199.A NH1 GLU 497.A OE2 no hydrogen 2.996 N/A ARG 199.A NH2 GLU 497.A OE1 no hydrogen 2.947 N/A ARG 199.A NH2 GLU 497.A OE2 no hydrogen 3.233 N/A ARG 199.A NH2 PHE 628.A O no hydrogen 2.913 N/A ARG 200.A N ALA 196.A O no hydrogen 3.021 N/A ARG 200.A NE LEU 293.A O no hydrogen 3.327 N/A ARG 200.A NE ARG 294.A O no hydrogen 3.013 N/A ARG 200.A NH2 LEU 293.A O no hydrogen 2.842 N/A ALA 201.A N MET 197.A O no hydrogen 2.814 N/A SER 202.A N SER 198.A O no hydrogen 3.104 N/A SER 202.A N ARG 199.A O no hydrogen 3.122 N/A SER 202.A OG ARG 199.A O no hydrogen 2.626 N/A TYR 203.A N ARG 200.A O no hydrogen 3.130 N/A TYR 203.A OH GLU 497.A OE1 no hydrogen 2.622 N/A MET 204.A N ARG 200.A O no hydrogen 3.043 N/A TYR 205.A N ALA 201.A O no hydrogen 3.017 N/A TYR 205.A OH TYR 387.A OH no hydrogen 2.809 N/A GLY 206.A N TYR 203.A O no hydrogen 3.188 N/A LEU 209.A N GLY 206.A O no hydrogen 3.055 N/A LYS 214.A N ASP 212.A OD1 no hydrogen 2.968 N/A GLY 215.A N ASP 212.A O no hydrogen 2.889 N/A GLN 216.A N PRO 210.A O no hydrogen 2.880 N/A GLN 216.A NE2 LEU 209.A O no hydrogen 2.988 N/A ALA 219.A N GLY 222.A O no hydrogen 2.891 N/A THR 223.A OG1 ASN 101.A OD1 no hydrogen 2.709 N/A THR 225.A N THR 224.A OG1 no hydrogen 2.804 N/A SER 226.A N ASP 103.A OD1 no hydrogen 3.012 N/A SER 226.A OG ASP 103.A OD1 no hydrogen 3.266 N/A SER 226.A OG ASP 103.A OD2 no hydrogen 2.649 N/A SER 226.A OG SER 124.A OG no hydrogen 2.616 N/A ALA 227.A N ILE 54.A O no hydrogen 3.089 N/A GLY 228.A N SER 124.A OG no hydrogen 2.817 N/A THR 229.A N GLU 126.A OE1 no hydrogen 2.909 N/A THR 229.A OG1 GLU 126.A OE2 no hydrogen 2.791 N/A THR 231.A N GLY 158.A O no hydrogen 2.693 N/A THR 231.A OG1 GLY 158.A O no hydrogen 2.753 N/A LEU 232.A N ASP 514.A OD2 no hydrogen 2.935 N/A THR 236.A N ILE 176.A O no hydrogen 2.822 N/A THR 236.A OG1 ILE 176.A O no hydrogen 3.255 N/A THR 236.A OG1 ASP 237.A OD1 no hydrogen 2.733 N/A ASP 237.A N ILE 176.A O no hydrogen 2.992 N/A ILE 239.A N ALA 178.A O no hydrogen 2.910 N/A LYS 240.A N GLU 244.A OE2 no hydrogen 2.815 N/A GLU 241.A N GLU 244.A OE2 no hydrogen 3.207 N/A GLU 244.A N GLU 241.A O no hydrogen 3.156 N/A THR 245.A OG1 GLY 243.A O no hydrogen 3.337 N/A HIS 246.A N TYR 253.A O no hydrogen 2.974 N/A HIS 246.A NE2 GLU 244.A OE1 no hydrogen 2.706 N/A ILE 248.A N LEU 251.A O no hydrogen 2.839 N/A LEU 251.A N ILE 248.A O no hydrogen 3.134 N/A THR 252.A N GLU 273.A OE1 no hydrogen 2.813 N/A THR 252.A N GLU 273.A OE2 no hydrogen 3.212 N/A THR 252.A OG1 GLU 273.A OE2 no hydrogen 2.717 N/A TYR 253.A N HIS 246.A O no hydrogen 2.885 N/A GLU 254.A N TYR 270.A O no hydrogen 2.901 N/A PHE 255.A N GLU 244.A O no hydrogen 2.879 N/A MET 256.A N LEU 268.A O no hydrogen 2.774 N/A TYR 257.A N THR 242.A OG1 no hydrogen 2.942 N/A TYR 257.A OH LEU 180.A O no hydrogen 2.864 N/A ALA 258.A N GLU 266.A O no hydrogen 2.799 N/A GLY 260.A N ALA 263.A O no hydrogen 3.118 N/A SER 261.A OG ALA 258.A O no hydrogen 2.730 N/A SER 261.A OG ASP 282.A OD1 no hydrogen 3.162 N/A SER 261.A OG ASP 282.A OD2 no hydrogen 2.733 N/A GLU 262.A N ASP 282.A OD1 no hydrogen 3.053 N/A MET 267.A N THR 150.A O no hydrogen 2.990 N/A LEU 268.A N MET 256.A O no hydrogen 2.982 N/A TYR 269.A N ASN 278.A O no hydrogen 3.297 N/A TYR 270.A N GLU 254.A O no hydrogen 2.858 N/A TYR 270.A OH ASP 318.A OD2 no hydrogen 2.460 N/A ILE 271.A N ALA 276.A O no hydrogen 2.887 N/A LYS 272.A N THR 252.A O no hydrogen 2.923 N/A GLU 273.A N GLU 273.A OE1 no hydrogen 2.645 N/A LYS 274.A N ILE 271.A O no hydrogen 3.195 N/A LYS 274.A NZ ASP 94.A O no hydrogen 2.803 N/A LYS 275.A N LYS 272.A O no hydrogen 3.202 N/A LYS 275.A NZ ASP 318.A OD1 no hydrogen 2.878 N/A LYS 275.A NZ ASP 318.A OD2 no hydrogen 3.514 N/A ALA 276.A N ILE 271.A O no hydrogen 3.382 N/A LEU 277.A N VAL 321.A O no hydrogen 2.941 N/A ASN 278.A N TYR 269.A O no hydrogen 2.871 N/A ALA 279.A N TYR 323.A O no hydrogen 2.949 N/A ALA 280.A N ASN 278.A OD1 no hydrogen 2.760 N/A GLU 281.A N GLU 266.A OE2 no hydrogen 2.884 N/A ASP 282.A N ALA 279.A O no hydrogen 2.879 N/A SER 283.A OG GLN 343.A OE1 no hydrogen 3.031 N/A HIS 285.A N HIS 327.A ND1 no hydrogen 2.974 N/A HIS 285.A ND1 SER 382.A OG no hydrogen 2.673 N/A HIS 285.A NE2 TRP 328.A O no hydrogen 2.895 N/A THR 286.A OG1 LEU 287.A O no hydrogen 2.821 N/A THR 286.A OG1 ARG 384.A O no hydrogen 3.146 N/A LEU 287.A N ARG 384.A O no hydrogen 2.809 N/A HIS 288.A N TYR 347.A OH no hydrogen 2.921 N/A HIS 288.A NE2 GLU 281.A OE2 no hydrogen 2.651 N/A ASN 289.A N HIS 288.A ND1 no hydrogen 2.708 N/A THR 290.A N ASN 393.A OD1 no hydrogen 3.014 N/A THR 290.A OG1 ASN 393.A O no hydrogen 3.560 N/A ARG 294.A N SER 292.A OG no hydrogen 3.292 N/A GLY 295.A N SER 292.A O no hydrogen 2.903 N/A ARG 299.A N THR 290.A O no hydrogen 2.771 N/A ASP 300.A N GLY 260.A O no hydrogen 3.523 N/A LEU 302.A N ASP 300.A OD1 no hydrogen 2.971 N/A ALA 303.A N ASP 300.A OD1 no hydrogen 3.303 N/A TRP 304.A N ASP 300.A O no hydrogen 3.161 N/A TRP 304.A NE1 ASP 282.A O no hydrogen 2.896 N/A SER 305.A N PRO 301.A O no hydrogen 2.910 N/A SER 305.A OG ARG 344.A O no hydrogen 2.724 N/A LYS 306.A N LEU 302.A O no hydrogen 2.910 N/A TYR 307.A N ALA 303.A O no hydrogen 2.880 N/A TYR 307.A OH PRO 259.A O no hydrogen 2.688 N/A LEU 308.A N TRP 304.A O no hydrogen 3.168 N/A ASN 309.A N SER 305.A O no hydrogen 2.916 N/A GLU 310.A N LYS 306.A O no hydrogen 2.887 N/A ALA 311.A N TYR 307.A O no hydrogen 2.938 N/A LEU 312.A N LEU 308.A O no hydrogen 3.117 N/A LYS 313.A N ASN 309.A O no hydrogen 3.003 N/A LEU 314.A N GLU 310.A O no hydrogen 2.822 N/A TRP 315.A N ALA 311.A O no hydrogen 2.948 N/A TRP 315.A NE1 GLU 254.A OE1 no hydrogen 2.952 N/A GLY 316.A N LEU 312.A O no hydrogen 2.828 N/A ASP 318.A N TRP 315.A O no hydrogen 3.115 N/A VAL 319.A N TRP 315.A O no hydrogen 2.932 N/A GLN 320.A N LYS 275.A O no hydrogen 2.928 N/A GLN 320.A NE2 ASP 318.A O no hydrogen 3.168 N/A VAL 321.A N LYS 275.A O no hydrogen 3.431 N/A MET 322.A N VAL 330.A O no hydrogen 2.973 N/A TYR 323.A N LEU 277.A O no hydrogen 2.886 N/A MET 325.A N ALA 280.A O no hydrogen 2.962 N/A HIS 326.A ND1 LEU 104.A O no hydrogen 2.872 N/A HIS 327.A NE2 GLY 220.A O no hydrogen 2.930 N/A VAL 330.A N MET 322.A O no hydrogen 2.918 N/A TRP 331.A NE1 VAL 92.A O no hydrogen 2.735 N/A GLY 332.A N GLN 320.A O no hydrogen 2.868 N/A ASN 333.A ND2 GLY 316.A O no hydrogen 2.806 N/A ASN 333.A ND2 VAL 319.A O no hydrogen 2.886 N/A GLU 335.A N GLU 335.A OE1 no hydrogen 2.690 N/A VAL 336.A N GLY 332.A O no hydrogen 2.886 N/A ARG 337.A N ASN 333.A O no hydrogen 2.961 N/A GLU 338.A N LYS 334.A O no hydrogen 3.004 N/A GLN 339.A N GLU 335.A O no hydrogen 3.131 N/A GLN 339.A NE2 SER 283.A OG no hydrogen 3.203 N/A LEU 340.A N VAL 336.A O no hydrogen 3.048 N/A SER 341.A N ARG 337.A O no hydrogen 2.827 N/A SER 341.A OG ARG 337.A O no hydrogen 2.700 N/A LEU 342.A N GLU 338.A O no hydrogen 2.841 N/A GLN 343.A N GLN 339.A O no hydrogen 3.058 N/A GLN 343.A NE2 THR 284.A O no hydrogen 3.021 N/A GLN 343.A NE2 ASN 383.A OD1 no hydrogen 3.026 N/A ARG 344.A N LEU 340.A O no hydrogen 2.900 N/A ARG 344.A NE ASP 345.A OD1 no hydrogen 2.951 N/A ARG 344.A NH1 ASN 309.A OD1 no hydrogen 2.984 N/A ARG 344.A NH2 ASP 345.A OD1 no hydrogen 3.077 N/A ASP 345.A N SER 341.A O no hydrogen 2.966 N/A MET 346.A N LEU 342.A O no hydrogen 2.901 N/A TYR 347.A N GLN 343.A O no hydrogen 3.043 N/A ARG 348.A N ARG 344.A O no hydrogen 3.078 N/A ARG 348.A NH1 ASP 352.A OD2 no hydrogen 2.989 N/A TYR 349.A N ASP 345.A O no hydrogen 2.798 N/A TYR 349.A OH LYS 372.A O no hydrogen 3.295 N/A ILE 350.A N MET 346.A O no hydrogen 3.062 N/A ASN 351.A N TYR 347.A O no hydrogen 3.153 N/A ASN 351.A ND2 ASP 352.A OD1 no hydrogen 2.869 N/A ASP 352.A N ARG 348.A O no hydrogen 2.761 N/A GLU 353.A N TYR 349.A O no hydrogen 2.922 N/A THR 354.A N ILE 350.A O no hydrogen 3.328 N/A THR 354.A OG1 ILE 350.A O no hydrogen 2.680 N/A LEU 355.A N ASN 351.A O no hydrogen 3.115 N/A ARG 356.A N ASP 352.A O no hydrogen 2.925 N/A ARG 356.A NH2 GLU 353.A OE1 no hydrogen 2.859 N/A LEU 357.A N GLU 353.A O no hydrogen 3.012 N/A ALA 358.A N THR 354.A O no hydrogen 2.933 N/A ASN 359.A N LEU 355.A O no hydrogen 2.856 N/A LYS 360.A N ARG 356.A O no hydrogen 3.115 N/A LYS 360.A N LEU 357.A O no hydrogen 3.078 N/A GLY 361.A N ALA 358.A O no hydrogen 2.964 N/A TYR 362.A N LEU 357.A O no hydrogen 3.006 N/A THR 363.A N GLU 366.A OE1 no hydrogen 2.946 N/A ILE 367.A N THR 363.A O no hydrogen 2.915 N/A ALA 368.A N MET 364.A O no hydrogen 3.141 N/A GLU 369.A N THR 365.A O no hydrogen 3.040 N/A GLN 370.A N ILE 367.A O no hydrogen 2.990 N/A VAL 371.A N ILE 367.A O no hydrogen 3.024 N/A ILE 377.A N PRO 374.A O no hydrogen 2.993 N/A ALA 378.A N PRO 374.A O no hydrogen 2.870 N/A THR 379.A N LYS 375.A O no hydrogen 2.970 N/A THR 379.A OG1 LYS 375.A O no hydrogen 2.750 N/A LYS 380.A N ILE 377.A O no hydrogen 3.282 N/A LYS 380.A NZ LYS 376.A O no hydrogen 2.807 N/A SER 382.A OG HIS 285.A ND1 no hydrogen 2.673 N/A ASN 383.A N LYS 380.A O no hydrogen 3.006 N/A ASN 383.A ND2 ILE 377.A O no hydrogen 2.991 N/A ARG 384.A N PHE 381.A O no hydrogen 3.202 N/A ARG 384.A NE GLU 483.A OE2 no hydrogen 2.855 N/A ARG 384.A NH1 ALA 378.A O no hydrogen 2.868 N/A ARG 384.A NH2 GLU 483.A OE1 no hydrogen 2.961 N/A ARG 384.A NH2 GLU 483.A OE2 no hydrogen 3.527 N/A TYR 386.A N THR 286.A OG1 no hydrogen 3.069 N/A TYR 386.A N ARG 384.A O no hydrogen 2.969 N/A TYR 386.A OH SER 76.A O no hydrogen 3.417 N/A TYR 386.A OH SER 76.A OG no hydrogen 2.606 N/A TYR 387.A N THR 286.A OG1 no hydrogen 3.192 N/A TYR 387.A OH TYR 205.A OH no hydrogen 2.809 N/A GLY 388.A N LEU 287.A O no hydrogen 2.994 N/A SER 389.A OG HIS 392.A ND1 no hydrogen 2.866 N/A HIS 392.A N SER 389.A OG no hydrogen 3.073 N/A HIS 392.A NE2 ASN 289.A OD1 no hydrogen 2.938 N/A ASN 393.A N SER 389.A O no hydrogen 3.185 N/A ASN 393.A ND2 HIS 288.A O no hydrogen 2.858 N/A VAL 394.A N LEU 390.A O no hydrogen 2.914 N/A LYS 395.A N ASN 391.A O no hydrogen 3.086 N/A LYS 395.A NZ ASN 391.A OD1 no hydrogen 3.222 N/A ALA 396.A N HIS 392.A O no hydrogen 3.006 N/A THR 397.A N ASN 393.A O no hydrogen 2.963 N/A THR 397.A OG1 ASN 393.A O no hydrogen 2.767 N/A TYR 398.A N VAL 394.A O no hydrogen 3.114 N/A VAL 399.A N LYS 395.A O no hydrogen 3.189 N/A LEU 400.A N ALA 396.A O no hydrogen 2.780 N/A TYR 401.A N THR 397.A O no hydrogen 3.398 N/A TYR 401.A N TYR 398.A O no hydrogen 3.257 N/A TYR 401.A OH ASN 351.A OD1 no hydrogen 2.534 N/A LEU 402.A N TYR 398.A O no hydrogen 2.869 N/A GLY 403.A N VAL 399.A O no hydrogen 2.755 N/A ALA 410.A N ASN 408.A OD1 no hydrogen 3.101 N/A THR 411.A N ASN 408.A O no hydrogen 2.919 N/A THR 411.A OG1 ASN 408.A O no hydrogen 2.799 N/A LEU 412.A N PRO 409.A O no hydrogen 3.167 N/A LYS 420.A N PRO 416.A O no hydrogen 2.997 N/A LYS 420.A NZ GLU 414.A OE1 no hydrogen 3.070 N/A ALA 421.A N PRO 417.A O no hydrogen 2.948 N/A LYS 422.A N ALA 418.A O no hydrogen 3.377 N/A ARG 423.A NH1 ASP 419.A O no hydrogen 2.849 N/A TYR 424.A N LYS 420.A O no hydrogen 2.924 N/A VAL 425.A N ALA 421.A O no hydrogen 2.994 N/A GLU 426.A N LYS 422.A O no hydrogen 3.065 N/A MET 427.A N ARG 423.A O no hydrogen 3.013 N/A MET 428.A N TYR 424.A O no hydrogen 2.996 N/A MET 428.A N VAL 425.A O no hydrogen 3.216 N/A GLY 429.A N GLU 426.A O no hydrogen 3.181 N/A GLY 430.A N VAL 425.A O no hydrogen 2.891 N/A VAL 434.A N GLY 430.A O no hydrogen 3.072 N/A LEU 435.A N ALA 431.A O no hydrogen 2.992 N/A LYS 436.A N ASP 432.A O no hydrogen 3.028 N/A LYS 437.A N ALA 433.A O no hydrogen 2.950 N/A LYS 437.A NZ MET 428.A O no hydrogen 2.989 N/A ALA 438.A N VAL 434.A O no hydrogen 2.719 N/A LYS 439.A N LEU 435.A O no hydrogen 3.066 N/A LYS 439.A NZ ASP 443.A OD2 no hydrogen 2.896 N/A GLU 440.A N LYS 437.A O no hydrogen 3.113 N/A TYR 442.A N ALA 438.A O no hydrogen 2.861 N/A ASP 443.A N LYS 439.A O no hydrogen 2.900 N/A LYS 444.A N GLU 440.A O no hydrogen 3.305 N/A LYS 444.A N TYR 441.A O no hydrogen 3.081 N/A GLY 445.A N TYR 442.A O no hydrogen 2.893 N/A ASP 446.A N TYR 441.A O no hydrogen 3.026 N/A ARG 448.A NH1 GLU 369.A OE2 no hydrogen 2.979 N/A ARG 448.A NH2 GLU 369.A OE1 no hydrogen 2.875 N/A VAL 450.A N ASP 446.A O no hydrogen 3.123 N/A ALA 451.A N PHE 447.A O no hydrogen 2.905 N/A GLU 452.A N ARG 448.A O no hydrogen 3.410 N/A VAL 453.A N TRP 449.A O no hydrogen 2.944 N/A VAL 454.A N VAL 450.A O no hydrogen 2.933 N/A HIS 456.A N VAL 453.A O no hydrogen 3.091 N/A VAL 458.A N VAL 454.A O no hydrogen 3.051 N/A PHE 459.A N ASN 455.A O no hydrogen 2.934 N/A ALA 460.A N HIS 456.A O no hydrogen 2.863 N/A GLU 461.A N VAL 457.A O no hydrogen 2.823 N/A ASN 464.A N GLU 461.A O no hydrogen 2.923 N/A ASN 464.A ND2 GLU 461.A OE1 no hydrogen 3.106 N/A GLN 465.A NE2 GLN 465.A O no hydrogen 3.415 N/A GLN 465.A NE2 ASN 469.A OD1 no hydrogen 2.870 N/A GLN 465.A NE2 LEU 498.A O no hydrogen 3.118 N/A ALA 467.A N ASN 464.A OD1 no hydrogen 2.960 N/A LYS 468.A N ASN 464.A O no hydrogen 3.091 N/A LYS 468.A NZ PRO 462.A O no hydrogen 2.964 N/A ASN 469.A N GLN 465.A O no hydrogen 2.843 N/A MET 470.A N ALA 466.A O no hydrogen 3.063 N/A GLN 471.A N ALA 467.A O no hydrogen 2.943 N/A GLN 471.A NE2 ALA 451.A O no hydrogen 2.912 N/A ALA 472.A N LYS 468.A O no hydrogen 2.867 N/A ASP 473.A N ASN 469.A O no hydrogen 3.025 N/A ALA 474.A N MET 470.A O no hydrogen 3.105 N/A LEU 475.A N GLN 471.A O no hydrogen 2.985 N/A GLU 476.A N ALA 472.A O no hydrogen 2.888 N/A GLN 477.A N ASP 473.A O no hydrogen 3.124 N/A GLN 477.A NE2 PRO 6.A O no hydrogen 3.044 N/A LEU 478.A N ALA 474.A O no hydrogen 3.157 N/A GLY 479.A N LEU 475.A O no hydrogen 2.842 N/A TYR 480.A N GLU 476.A O no hydrogen 2.864 N/A TYR 480.A OH LYS 5.A O no hydrogen 2.723 N/A GLN 481.A N GLN 477.A O no hydrogen 3.126 N/A GLN 481.A N LEU 478.A O no hydrogen 3.242 N/A GLN 481.A NE2 THR 11.A OG1 no hydrogen 3.120 N/A ALA 482.A N GLY 479.A O no hydrogen 3.155 N/A SER 484.A OG TYR 387.A O no hydrogen 3.061 N/A GLY 485.A N TYR 386.A O no hydrogen 2.856 N/A TRP 487.A N SER 484.A OG no hydrogen 3.171 N/A TRP 487.A NE1 HIS 392.A ND1 no hydrogen 2.975 N/A ARG 488.A N SER 484.A O no hydrogen 2.884 N/A ARG 488.A NE GLY 215.A O no hydrogen 2.872 N/A ARG 488.A NH1 THR 72.A O no hydrogen 2.912 N/A ARG 488.A NH2 THR 72.A O no hydrogen 3.550 N/A ARG 488.A NH2 ALA 213.A O no hydrogen 2.904 N/A ARG 488.A NH2 GLY 215.A O no hydrogen 2.924 N/A ASN 489.A N GLY 485.A O no hydrogen 2.832 N/A ASN 489.A ND2 MET 204.A O no hydrogen 3.056 N/A PHE 490.A N PRO 486.A O no hydrogen 2.930 N/A TYR 491.A N TRP 487.A O no hydrogen 3.011 N/A LEU 492.A N ARG 488.A O no hydrogen 2.894 N/A THR 493.A N ASN 489.A O no hydrogen 2.904 N/A THR 493.A OG1 ASN 489.A O no hydrogen 2.633 N/A GLY 494.A N PHE 490.A O no hydrogen 3.061 N/A ALA 495.A N TYR 491.A O no hydrogen 3.043 N/A GLN 496.A N LEU 492.A O no hydrogen 3.022 N/A GLN 496.A NE2 LEU 208.A O no hydrogen 2.862 N/A GLU 497.A N THR 493.A O no hydrogen 2.905 N/A LEU 498.A N GLY 494.A O no hydrogen 2.986 N/A ARG 499.A N ALA 495.A O no hydrogen 3.095 N/A ARG 499.A NH1 GLU 476.A OE2 no hydrogen 2.836 N/A ARG 499.A NH2 ASP 473.A OD1 no hydrogen 2.850 N/A ARG 499.A NH2 GLU 476.A OE1 no hydrogen 2.913 N/A ASN 500.A N GLN 496.A O no hydrogen 2.947 N/A ASN 500.A ND2 GLN 496.A O no hydrogen 3.003 N/A GLY 501.A N GLU 497.A O no hydrogen 2.744 N/A GLN 503.A NE2 ASN 500.A O no hydrogen 3.294 N/A THR 510.A OG1 ALA 511.A O no hydrogen 2.784 N/A SER 512.A OG THR 515.A OG1 no hydrogen 3.030 N/A THR 515.A N SER 512.A OG no hydrogen 3.105 N/A THR 515.A OG1 SER 512.A OG no hydrogen 3.030 N/A VAL 516.A N SER 512.A O no hydrogen 2.982 N/A LYS 517.A N PRO 513.A O no hydrogen 2.975 N/A ALA 518.A N ASP 514.A O no hydrogen 3.052 N/A MET 519.A N THR 515.A O no hydrogen 3.144 N/A MET 519.A N VAL 516.A O no hydrogen 3.243 N/A LEU 523.A N ASP 520.A OD1 no hydrogen 2.959 N/A PHE 524.A N ASP 520.A O no hydrogen 2.918 N/A PHE 525.A N LEU 521.A O no hydrogen 2.845 N/A ASP 526.A N ASP 522.A O no hydrogen 2.939 N/A PHE 527.A N LEU 523.A O no hydrogen 2.814 N/A LEU 528.A N PHE 524.A O no hydrogen 3.064 N/A ALA 529.A N PHE 525.A O no hydrogen 2.998 N/A MET 530.A N ASP 526.A O no hydrogen 2.935 N/A ARG 531.A N PHE 527.A O no hydrogen 3.212 N/A ARG 531.A NE ASP 622.A O no hydrogen 2.989 N/A ARG 531.A NH2 ASP 622.A O no hydrogen 3.084 N/A LEU 532.A N ALA 529.A O no hydrogen 3.174 N/A LYS 533.A N TYR 620.A O no hydrogen 2.962 N/A GLY 534.A N LEU 532.A O no hydrogen 2.867 N/A ASP 536.A N LYS 533.A O no hydrogen 2.923 N/A VAL 537.A N GLY 534.A O no hydrogen 3.029 N/A LYS 540.A N VAL 537.A O no hydrogen 2.965 N/A LYS 540.A NZ TYR 620.A OH no hydrogen 3.371 N/A HIS 541.A NE2 GLU 558.A OE2 no hydrogen 2.927 N/A ILE 542.A N MET 559.A O no hydrogen 3.056 N/A THR 543.A N ASP 576.A OD2 no hydrogen 2.808 N/A LEU 544.A N LEU 557.A O no hydrogen 2.837 N/A ASN 545.A N ALA 577.A O no hydrogen 2.940 N/A ASN 545.A ND2 ALA 572.A O no hydrogen 2.907 N/A LEU 546.A N TYR 555.A O no hydrogen 2.752 N/A ASP 547.A N VAL 579.A O no hydrogen 2.809 N/A PHE 548.A N GLN 553.A O no hydrogen 2.905 N/A THR 549.A N LEU 581.A O no hydrogen 3.073 N/A GLN 553.A N PHE 548.A O no hydrogen 3.461 N/A GLN 553.A NE2 GLU 568.A OE2 no hydrogen 3.238 N/A TYR 555.A N LEU 546.A O no hydrogen 2.938 N/A THR 556.A N THR 567.A O no hydrogen 2.911 N/A THR 556.A OG1 ASN 545.A OD1 no hydrogen 3.269 N/A THR 556.A OG1 MET 570.A O no hydrogen 3.002 N/A LEU 557.A N LEU 544.A O no hydrogen 2.805 N/A GLU 558.A N ASN 565.A O no hydrogen 2.891 N/A MET 559.A N ILE 542.A O no hydrogen 2.787 N/A VAL 560.A N VAL 563.A O no hydrogen 2.936 N/A VAL 563.A N VAL 560.A O no hydrogen 3.006 N/A ASN 565.A N GLU 558.A O no hydrogen 2.840 N/A HIS 566.A NE2 ASP 522.A OD1 no hydrogen 2.740 N/A THR 567.A N THR 556.A O no hydrogen 2.965 N/A GLY 569.A N LYS 554.A O no hydrogen 2.721 N/A GLN 571.A NE2 LEU 546.A O no hydrogen 3.569 N/A GLN 571.A NE2 TYR 555.A O no hydrogen 2.929 N/A GLN 571.A NE2 MET 570.A O no hydrogen 2.777 N/A ALA 572.A N ASN 545.A OD1 no hydrogen 2.843 N/A ASP 576.A N THR 543.A O no hydrogen 2.802 N/A THR 578.A N GLU 608.A O no hydrogen 2.899 N/A VAL 579.A N ASN 545.A O no hydrogen 2.727 N/A THR 580.A N LYS 606.A O no hydrogen 2.793 N/A LEU 581.A N ASP 547.A O no hydrogen 3.036 N/A THR 582.A OG1 THR 585.A OG1 no hydrogen 3.148 N/A ARG 583.A N ASP 550.A OD1 no hydrogen 3.355 N/A ARG 583.A N ASP 550.A OD2 no hydrogen 2.983 N/A ARG 583.A NE ASN 587.A OD1 no hydrogen 2.882 N/A ARG 583.A NH1 MET 519.A O no hydrogen 2.839 N/A ARG 583.A NH2 MET 519.A O no hydrogen 2.825 N/A ARG 583.A NH2 ASN 587.A OD1 no hydrogen 3.164 N/A THR 585.A N THR 582.A OG1 no hydrogen 3.199 N/A THR 585.A OG1 THR 582.A OG1 no hydrogen 3.148 N/A LEU 586.A N THR 582.A O no hydrogen 3.127 N/A ASN 587.A N ARG 583.A O no hydrogen 2.868 N/A ASN 588.A N GLU 584.A O no hydrogen 3.086 N/A VAL 589.A N THR 585.A O no hydrogen 3.351 N/A MET 590.A N LEU 586.A O no hydrogen 3.228 N/A LEU 591.A N ASN 587.A O no hydrogen 2.896 N/A LYS 592.A N VAL 589.A O no hydrogen 3.104 N/A LYS 592.A NZ ASP 509.A OD1 no hydrogen 3.325 N/A GLN 593.A N ASN 588.A O no hydrogen 2.925 N/A GLN 593.A NE2 LEU 591.A O no hydrogen 3.484 N/A THR 594.A N ASN 588.A O no hydrogen 3.197 N/A ALA 599.A N THR 595.A O no hydrogen 2.896 N/A GLU 600.A N LEU 596.A O no hydrogen 2.928 N/A SER 601.A N LYS 597.A O no hydrogen 2.957 N/A SER 602.A N ASP 598.A O no hydrogen 2.843 N/A SER 602.A OG ASP 598.A O no hydrogen 3.186 N/A SER 602.A OG ALA 599.A O no hydrogen 3.120 N/A GLY 603.A N GLU 600.A O no hydrogen 3.248 N/A ASP 604.A N SER 602.A OG no hydrogen 3.398 N/A ILE 605.A N ALA 599.A O no hydrogen 2.982 N/A LYS 606.A N THR 580.A O no hydrogen 2.993 N/A GLU 608.A N THR 578.A O no hydrogen 2.911 N/A ASP 610.A N ASP 576.A O no hydrogen 2.856 N/A LYS 611.A NZ ILE 607.A O no hydrogen 2.809 N/A GLY 612.A N ASP 610.A OD1 no hydrogen 3.470 N/A LYS 613.A N ASP 610.A O no hydrogen 3.112 N/A LYS 613.A NZ GLU 616.A OE1 no hydrogen 2.839 N/A GLU 616.A N GLY 612.A O no hydrogen 2.847 N/A LEU 617.A N LYS 613.A O no hydrogen 2.879 N/A MET 618.A N LEU 614.A O no hydrogen 3.024 N/A SER 619.A N GLU 615.A O no hydrogen 3.036 N/A SER 619.A N GLU 616.A O no hydrogen 3.095 N/A SER 619.A OG GLU 616.A O no hydrogen 2.629 N/A TYR 620.A N LEU 617.A O no hydrogen 3.071 N/A TYR 620.A OH GLU 616.A OE2 no hydrogen 2.753 N/A MET 621.A N MET 618.A O no hydrogen 3.191 N/A ASP 622.A N ARG 531.A O no hydrogen 2.737 N/A ASN 623.A N ASP 622.A OD1 no hydrogen 2.957 N/A TRP 627.A NE1 LEU 505.A O no hydrogen 2.981 N/A PHE 628.A N PHE 626.A O no hydrogen 2.919 N/A ASN 629.A ND2 PRO 633.A O no hydrogen 3.073 N/A