Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3szg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A N GLN 8.A OE1 no hydrogen 3.147 N/A ASN 2.A ND2 ALA 314.A O no hydrogen 3.678 N/A TYR 4.A N ASN 2.A OD1 no hydrogen 2.983 N/A SER 5.A N ASN 2.A O no hydrogen 3.144 N/A TYR 7.A OH GLY 44.A O no hydrogen 2.933 N/A GLN 8.A N SER 5.A OG no hydrogen 2.899 N/A GLN 8.A NE2 ALA 314.A O no hydrogen 3.312 N/A HIS 9.A N ALA 6.A O no hydrogen 3.006 N/A HIS 9.A NE2 PHE 3.A O no hydrogen 2.709 N/A GLY 10.A N TYR 7.A O no hydrogen 3.246 N/A PHE 11.A N ALA 6.A O no hydrogen 3.069 N/A VAL 12.A N VAL 274.A O no hydrogen 2.780 N/A ARG 13.A N TYR 7.A OH no hydrogen 3.233 N/A ARG 13.A NE ASP 273.A OD1 no hydrogen 2.697 N/A ARG 13.A NH1 ASP 43.A O no hydrogen 2.837 N/A ARG 13.A NH1 ILE 317.A O no hydrogen 3.241 N/A ARG 13.A NH2 ASP 273.A OD1 no hydrogen 3.536 N/A ARG 13.A NH2 ASP 273.A OD2 no hydrogen 2.771 N/A ARG 13.A NH2 ILE 317.A O no hydrogen 2.910 N/A ARG 13.A NH2 GLY 318.A O no hydrogen 3.194 N/A VAL 14.A N ALA 272.A O no hydrogen 3.044 N/A ALA 15.A N LEU 47.A O no hydrogen 2.822 N/A ALA 16.A N SER 270.A O no hydrogen 2.871 N/A CYS 17.A N VAL 49.A O no hydrogen 2.793 N/A THR 18.A N ARG 268.A O no hydrogen 2.898 N/A THR 18.A OG1 ALA 232.A O no hydrogen 2.701 N/A HIS 19.A N HIS 19.A ND1 no hydrogen 3.023 N/A HIS 20.A N SER 32.A OG no hydrogen 2.914 N/A THR 21.A N GLU 235.A O no hydrogen 3.025 N/A THR 21.A OG1 GLU 237.A OE2 no hydrogen 3.403 N/A THR 22.A N ASN 29.A OD1 no hydrogen 2.752 N/A GLY 24.A N SER 56.A O no hydrogen 2.993 N/A ASP 25.A N THR 22.A O no hydrogen 3.061 N/A ALA 28.A N ASP 25.A OD1 no hydrogen 3.382 N/A ASN 29.A N ASP 25.A O no hydrogen 3.117 N/A ASN 29.A ND2 THR 22.A O no hydrogen 3.233 N/A ASN 29.A ND2 LEU 55.A O no hydrogen 3.113 N/A ALA 30.A N PRO 26.A O no hydrogen 2.859 N/A ALA 31.A N ALA 27.A O no hydrogen 3.033 N/A SER 32.A N ALA 28.A O no hydrogen 3.189 N/A VAL 33.A N ASN 29.A O no hydrogen 2.837 N/A LEU 34.A N ALA 30.A O no hydrogen 2.684 N/A ASP 35.A N ALA 31.A O no hydrogen 3.053 N/A MET 36.A N SER 32.A O no hydrogen 3.113 N/A ALA 37.A N VAL 33.A O no hydrogen 2.950 N/A ARG 38.A N LEU 34.A O no hydrogen 2.963 N/A ALA 39.A N ASP 35.A O no hydrogen 3.225 N/A CYS 40.A N MET 36.A O no hydrogen 2.865 N/A CYS 40.A SG MET 36.A O no hydrogen 3.331 N/A HIS 41.A N ALA 37.A O no hydrogen 2.768 N/A ASP 42.A N ARG 38.A O no hydrogen 3.008 N/A ASP 43.A N ALA 39.A O no hydrogen 2.889 N/A GLY 44.A N HIS 41.A O no hydrogen 2.782 N/A ALA 45.A N CYS 40.A O no hydrogen 3.012 N/A ALA 46.A N ARG 13.A O no hydrogen 2.601 N/A ALA 48.A N VAL 90.A O no hydrogen 2.827 N/A VAL 49.A N ALA 15.A O no hydrogen 2.818 N/A PHE 50.A N VAL 92.A O no hydrogen 3.046 N/A GLU 52.A N SER 201.A O no hydrogen 3.047 N/A THR 54.A N PRO 51.A O no hydrogen 3.133 N/A THR 54.A OG1 PRO 51.A O no hydrogen 2.504 N/A LEU 55.A N GLY 94.A O no hydrogen 3.043 N/A SER 56.A N LEU 53.A O no hydrogen 3.150 N/A SER 56.A OG LEU 53.A O no hydrogen 3.355 N/A SER 56.A OG GLY 57.A O no hydrogen 2.723 N/A GLY 57.A N LEU 53.A O no hydrogen 2.937 N/A TYR 58.A N GLU 237.A OE1 no hydrogen 3.029 N/A TYR 58.A N GLU 237.A OE2 no hydrogen 2.970 N/A TYR 58.A OH GLU 132.A OE2 no hydrogen 2.435 N/A SER 59.A N GLU 237.A OE1 no hydrogen 2.909 N/A SER 59.A OG GLU 237.A OE1 no hydrogen 2.604 N/A VAL 63.A N ILE 60.A O no hydrogen 3.157 N/A LEU 64.A N GLU 61.A O no hydrogen 2.999 N/A LEU 65.A N ASP 62.A O no hydrogen 3.063 N/A GLN 66.A N VAL 63.A O no hydrogen 3.135 N/A GLN 66.A NE2 ASP 62.A O no hydrogen 3.531 N/A LEU 70.A N GLN 66.A O no hydrogen 3.041 N/A ASP 71.A N ASP 67.A O no hydrogen 2.770 N/A ALA 72.A N SER 68.A O no hydrogen 2.953 N/A VAL 73.A N LEU 69.A O no hydrogen 2.907 N/A GLU 74.A N LEU 70.A O no hydrogen 3.110 N/A ASP 75.A N ASP 71.A O no hydrogen 3.161 N/A ALA 76.A N ALA 72.A O no hydrogen 2.957 N/A LEU 77.A N VAL 73.A O no hydrogen 2.859 N/A LEU 78.A N GLU 74.A O no hydrogen 3.024 N/A ASP 79.A N ASP 75.A O no hydrogen 3.162 N/A LEU 80.A N ALA 76.A O no hydrogen 3.129 N/A VAL 81.A N LEU 77.A O no hydrogen 3.045 N/A THR 82.A N LEU 78.A O no hydrogen 2.948 N/A THR 82.A OG1 LEU 78.A O no hydrogen 3.051 N/A GLU 83.A N ASP 79.A O no hydrogen 2.927 N/A SER 84.A N LEU 80.A O no hydrogen 2.741 N/A SER 84.A OG VAL 81.A O no hydrogen 2.835 N/A ALA 85.A N THR 82.A O no hydrogen 3.305 N/A ASP 86.A N GLU 83.A O no hydrogen 3.250 N/A LEU 87.A N SER 84.A O no hydrogen 3.006 N/A LEU 88.A N HIS 41.A ND1 no hydrogen 2.914 N/A VAL 90.A N ALA 46.A O no hydrogen 2.843 N/A LEU 91.A N ILE 110.A O no hydrogen 2.872 N/A VAL 92.A N ALA 48.A O no hydrogen 2.859 N/A VAL 93.A N VAL 108.A O no hydrogen 2.988 N/A GLY 94.A N THR 54.A OG1 no hydrogen 2.865 N/A ALA 95.A N THR 106.A O no hydrogen 2.918 N/A LEU 97.A N TYR 104.A O no hydrogen 3.024 N/A HIS 99.A N ARG 102.A O no hydrogen 2.909 N/A ARG 102.A N HIS 99.A O no hydrogen 3.297 N/A ARG 102.A NH2 ARG 133.A O no hydrogen 3.252 N/A TYR 104.A N LEU 97.A O no hydrogen 2.769 N/A ASN 105.A ND2 GLU 52.A OE2 no hydrogen 2.725 N/A THR 106.A N ALA 95.A O no hydrogen 3.051 N/A THR 106.A OG1 ALA 95.A O no hydrogen 2.971 N/A ALA 107.A N VAL 119.A O no hydrogen 2.718 N/A VAL 108.A N VAL 93.A O no hydrogen 2.708 N/A VAL 109.A N GLY 117.A O no hydrogen 3.057 N/A ILE 110.A N LEU 91.A O no hydrogen 2.815 N/A HIS 111.A N ALA 114.A O no hydrogen 2.841 N/A ARG 112.A NH1 ALA 85.A O no hydrogen 3.190 N/A GLY 113.A N SER 84.A OG no hydrogen 2.741 N/A ALA 114.A N HIS 111.A O no hydrogen 3.094 N/A LEU 116.A N VAL 109.A O no hydrogen 2.780 N/A VAL 118.A N ALA 154.A O no hydrogen 2.787 N/A VAL 119.A N ALA 107.A O no hydrogen 2.818 N/A LYS 121.A N ASN 105.A O no hydrogen 2.731 N/A LYS 121.A NZ GLU 52.A OE2 no hydrogen 2.838 N/A LYS 121.A NZ GLU 132.A OE1 no hydrogen 2.609 N/A LYS 121.A NZ GLU 132.A OE2 no hydrogen 3.108 N/A SER 122.A N ASP 178.A OD1 no hydrogen 3.040 N/A SER 122.A N ASP 178.A OD2 no hydrogen 3.256 N/A TYR 123.A N ASP 178.A OD1 no hydrogen 3.069 N/A THR 126.A OG1 LEU 124.A O no hydrogen 3.245 N/A TYR 127.A OH GLU 177.A OE2 no hydrogen 2.394 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 2.734 N/A PHE 130.A N TYR 127.A O no hydrogen 2.729 N/A GLU 132.A N PRO 125.A O no hydrogen 2.963 N/A ARG 133.A N THR 126.A OG1 no hydrogen 3.229 N/A ARG 134.A N TYR 131.A O no hydrogen 3.075 N/A ARG 134.A NH1 ASP 62.A OD1 no hydrogen 3.330 N/A ARG 134.A NH1 ASP 62.A OD2 no hydrogen 2.666 N/A GLN 135.A NE2 GLU 61.A OE1 no hydrogen 2.806 N/A GLN 135.A NE2 ASP 62.A OD1 no hydrogen 3.001 N/A MET 136.A N GLU 132.A O no hydrogen 2.978 N/A ALA 137.A N ILE 103.A O no hydrogen 2.949 N/A GLY 139.A N LYS 121.A O no hydrogen 2.882 N/A GLU 142.A N GLY 139.A O no hydrogen 3.036 N/A ARG 143.A NH2 SER 302.A O no hydrogen 3.341 N/A ILE 146.A N VAL 153.A O no hydrogen 2.892 N/A ILE 148.A N ALA 151.A O no hydrogen 2.895 N/A ALA 151.A N ILE 148.A O no hydrogen 3.281 N/A VAL 153.A N ILE 146.A O no hydrogen 3.029 N/A PHE 155.A N GLY 144.A O no hydrogen 2.867 N/A GLY 156.A N VAL 118.A O no hydrogen 3.065 N/A LEU 160.A N ARG 304.A O no hydrogen 2.944 N/A PHE 161.A N LEU 171.A O no hydrogen 2.968 N/A ALA 162.A N ILE 306.A O no hydrogen 2.952 N/A ALA 163.A N PHE 169.A O no hydrogen 3.228 N/A SER 164.A N PHE 308.A O no hydrogen 2.752 N/A SER 164.A OG PHE 308.A O no hydrogen 3.549 N/A LEU 166.A N ALA 163.A O no hydrogen 3.320 N/A PHE 169.A N LEU 166.A O no hydrogen 2.767 N/A VAL 170.A N THR 195.A OG1 no hydrogen 2.851 N/A LEU 171.A N PHE 161.A O no hydrogen 2.889 N/A HIS 172.A N VAL 196.A O no hydrogen 2.982 N/A GLU 174.A N ALA 198.A O no hydrogen 2.782 N/A ILE 175.A N ASP 178.A OD2 no hydrogen 2.917 N/A ALA 176.A N ASN 199.A OD1 no hydrogen 2.917 N/A ASP 178.A N ILE 175.A O no hydrogen 2.800 N/A MET 179.A N ALA 176.A O no hydrogen 3.009 N/A PHE 180.A N GLU 177.A O no hydrogen 2.991 N/A SER 186.A N GLU 174.A OE1 no hydrogen 3.060 N/A SER 186.A OG GLU 174.A OE1 no hydrogen 3.240 N/A SER 186.A OG GLU 174.A OE2 no hydrogen 2.793 N/A ALA 187.A N PRO 184.A O no hydrogen 3.033 N/A ALA 189.A N PRO 185.A O no hydrogen 3.021 N/A ALA 190.A N SER 186.A O no hydrogen 2.952 N/A LEU 191.A N ALA 187.A O no hydrogen 3.331 N/A ALA 192.A N GLU 188.A O no hydrogen 3.012 N/A GLY 193.A N ALA 190.A O no hydrogen 2.842 N/A ALA 194.A N ALA 189.A O no hydrogen 2.814 N/A THR 195.A N VAL 170.A O no hydrogen 2.734 N/A THR 195.A OG1 GLY 168.A O no hydrogen 2.665 N/A THR 195.A OG1 VAL 170.A O no hydrogen 3.365 N/A VAL 196.A N VAL 170.A O no hydrogen 3.052 N/A LEU 197.A N ALA 227.A O no hydrogen 2.747 N/A ALA 198.A N HIS 172.A O no hydrogen 2.906 N/A ASN 199.A N VAL 229.A O no hydrogen 2.799 N/A ASN 199.A ND2 ALA 176.A O no hydrogen 3.425 N/A ASN 199.A ND2 TYR 228.A OH no hydrogen 2.893 N/A LEU 200.A N GLU 174.A O no hydrogen 3.462 N/A SER 201.A N ALA 231.A O no hydrogen 2.677 N/A SER 201.A OG ASN 199.A OD1 no hydrogen 3.339 N/A SER 201.A OG TYR 230.A OH no hydrogen 3.422 N/A GLY 202.A N GLU 52.A OE1 no hydrogen 2.802 N/A ILE 205.A N ALA 243.A O no hydrogen 2.868 N/A ARG 209.A N THR 206.A O no hydrogen 3.068 N/A ARG 209.A NH1 GLU 129.A OE2 no hydrogen 2.808 N/A ARG 209.A NH1 PRO 204.A O no hydrogen 2.554 N/A ARG 209.A NH2 GLU 129.A OE2 no hydrogen 2.812 N/A GLU 211.A N GLY 208.A O no hydrogen 3.259 N/A ASP 212.A N GLY 208.A O no hydrogen 3.379 N/A ARG 213.A N ARG 209.A O no hydrogen 2.889 N/A ARG 213.A NE SER 203.A OG no hydrogen 2.998 N/A ARG 213.A NH1 ASP 245.A OD1 no hydrogen 3.177 N/A ARG 213.A NH1 ASP 245.A OD2 no hydrogen 3.147 N/A ARG 213.A NH1 GLN 247.A OE1 no hydrogen 2.943 N/A ARG 213.A NH2 SER 203.A O no hydrogen 3.007 N/A ARG 213.A NH2 SER 203.A OG no hydrogen 3.206 N/A ARG 213.A NH2 ASP 245.A OD1 no hydrogen 3.175 N/A ARG 214.A N ALA 210.A O no hydrogen 3.141 N/A ARG 214.A NH1 GLU 259.A OE1 no hydrogen 2.771 N/A ARG 214.A NH2 GLU 259.A OE2 no hydrogen 3.329 N/A LEU 215.A N GLU 211.A O no hydrogen 2.899 N/A LEU 216.A N ASP 212.A O no hydrogen 2.992 N/A ALA 217.A N ARG 213.A O no hydrogen 2.699 N/A ARG 218.A N ARG 214.A O no hydrogen 2.884 N/A ARG 218.A NE GLY 254.A O no hydrogen 2.815 N/A SER 219.A N LEU 215.A O no hydrogen 3.037 N/A SER 219.A OG LEU 215.A O no hydrogen 2.877 N/A SER 219.A OG LEU 216.A O no hydrogen 3.377 N/A ALA 220.A N LEU 216.A O no hydrogen 3.038 N/A SER 221.A N ALA 217.A O no hydrogen 3.105 N/A SER 221.A N ARG 218.A O no hydrogen 3.017 N/A SER 221.A OG ARG 218.A O no hydrogen 2.773 N/A ALA 222.A N ARG 218.A O no hydrogen 2.995 N/A ARG 223.A N SER 219.A O no hydrogen 2.763 N/A CYS 224.A N ALA 220.A O no hydrogen 2.885 N/A LEU 225.A N ALA 222.A O no hydrogen 3.331 N/A ALA 226.A N SER 221.A O no hydrogen 3.070 N/A ALA 227.A N THR 195.A O no hydrogen 3.047 N/A TYR 228.A N TRP 251.A O no hydrogen 2.868 N/A TYR 228.A OH GLU 174.A OE2 no hydrogen 2.619 N/A VAL 229.A N LEU 197.A O no hydrogen 2.804 N/A TYR 230.A N MET 249.A O no hydrogen 2.843 N/A ALA 231.A N ASN 199.A O no hydrogen 3.225 N/A ALA 232.A N GLN 247.A O no hydrogen 2.889 N/A ALA 233.A N GLY 202.A O no hydrogen 3.237 N/A SER 238.A N SER 59.A OG no hydrogen 2.783 N/A THR 240.A N SER 238.A OG no hydrogen 3.138 N/A THR 240.A OG1 SER 238.A OG no hydrogen 2.660 N/A TRP 244.A NE1 SER 238.A O no hydrogen 2.822 N/A GLY 246.A N ALA 233.A O no hydrogen 3.008 N/A GLN 247.A N ASP 245.A OD1 no hydrogen 3.066 N/A THR 248.A N SER 260.A OG no hydrogen 3.300 N/A THR 248.A OG1 ALA 16.A O no hydrogen 3.434 N/A THR 248.A OG1 SER 260.A OG no hydrogen 2.747 N/A THR 248.A OG1 SER 270.A OG no hydrogen 2.645 N/A MET 249.A N TYR 230.A O no hydrogen 2.954 N/A ILE 250.A N ALA 258.A O no hydrogen 2.973 N/A TRP 251.A N TYR 228.A O no hydrogen 2.904 N/A GLU 252.A N ALA 255.A O no hydrogen 2.827 N/A ASN 253.A N ALA 226.A O no hydrogen 2.885 N/A GLY 254.A N SER 221.A OG no hydrogen 2.965 N/A ALA 255.A N GLU 252.A O no hydrogen 2.930 N/A LEU 257.A N ILE 250.A O no hydrogen 2.795 N/A SER 260.A N THR 248.A O no hydrogen 3.097 N/A SER 260.A OG THR 248.A O no hydrogen 3.499 N/A SER 260.A OG THR 248.A OG1 no hydrogen 2.747 N/A ARG 262.A NE ASP 245.A OD2 no hydrogen 2.820 N/A ARG 262.A NH2 ASP 245.A OD2 no hydrogen 3.085 N/A PHE 263.A N ASP 245.A O no hydrogen 2.652 N/A LYS 265.A NZ GLU 235.A OE2 no hydrogen 3.031 N/A GLY 266.A N GLU 235.A OE1 no hydrogen 3.313 N/A ARG 268.A N THR 18.A O no hydrogen 3.241 N/A ARG 268.A NE GLU 261.A OE1 no hydrogen 3.139 N/A ARG 268.A NH1 LYS 265.A O no hydrogen 3.092 N/A ARG 268.A NH1 VAL 267.A O no hydrogen 2.978 N/A ARG 268.A NH2 GLU 261.A OE1 no hydrogen 2.864 N/A ARG 268.A NH2 LYS 265.A O no hydrogen 3.411 N/A SER 270.A N ALA 16.A O no hydrogen 2.966 N/A SER 270.A OG THR 248.A O no hydrogen 3.261 N/A SER 270.A OG THR 248.A OG1 no hydrogen 2.645 N/A ALA 272.A N VAL 14.A O no hydrogen 3.065 N/A ASP 273.A N LEU 320.A O no hydrogen 2.841 N/A VAL 274.A N VAL 12.A O no hydrogen 2.746 N/A ASP 275.A N GLU 252.A OE1 no hydrogen 2.757 N/A THR 276.A N GLY 10.A O no hydrogen 3.067 N/A THR 276.A OG1 GLY 10.A O no hydrogen 2.566 N/A LEU 278.A N ASP 275.A O no hydrogen 3.000 N/A LEU 278.A N ASP 275.A OD1 no hydrogen 3.193 N/A LEU 279.A N ASP 275.A O no hydrogen 3.307 N/A ARG 280.A N THR 276.A O no hydrogen 2.833 N/A SER 281.A N GLU 277.A O no hydrogen 2.775 N/A SER 281.A OG GLU 277.A O no hydrogen 2.764 N/A SER 281.A OG TYR 548.A O no hydrogen 2.846 N/A GLU 282.A N LEU 278.A O no hydrogen 2.987 N/A ARG 283.A N LEU 279.A O no hydrogen 3.079 N/A ARG 283.A NE LEU 225.A O no hydrogen 3.153 N/A ARG 283.A NH1 ALA 194.A O no hydrogen 3.073 N/A ARG 283.A NH2 ALA 194.A O no hydrogen 2.856 N/A ARG 283.A NH2 CYS 224.A O no hydrogen 2.714 N/A ARG 283.A NH2 LEU 225.A O no hydrogen 3.271 N/A LEU 284.A N ARG 280.A O no hydrogen 2.849 N/A ARG 285.A N GLU 282.A O no hydrogen 3.350 N/A ARG 285.A NH1 SER 281.A O no hydrogen 3.045 N/A MET 286.A N GLU 282.A O no hydrogen 3.041 N/A PHE 289.A N MET 286.A O no hydrogen 3.120 N/A ASP 291.A N GLY 287.A O no hydrogen 2.995 N/A ASN 292.A N THR 288.A O no hydrogen 3.084 N/A ARG 293.A N PHE 289.A O no hydrogen 3.134 N/A ARG 293.A NE ASP 290.A OD1 no hydrogen 2.834 N/A ARG 293.A NH2 ASP 290.A OD1 no hydrogen 3.140 N/A ARG 293.A NH2 ASP 290.A OD2 no hydrogen 3.289 N/A ARG 294.A N ASP 290.A O no hydrogen 3.051 N/A HIS 295.A N ASP 291.A O no hydrogen 2.850 N/A HIS 296.A N ASN 292.A O no hydrogen 3.176 N/A HIS 296.A N ARG 293.A O no hydrogen 2.909 N/A THR 300.A N HIS 296.A O no hydrogen 2.840 N/A THR 300.A OG1 ARG 293.A O no hydrogen 3.340 N/A THR 300.A OG1 HIS 296.A O no hydrogen 3.071 N/A THR 300.A OG1 ARG 297.A O no hydrogen 3.260 N/A GLU 301.A N ARG 297.A O no hydrogen 2.759 N/A SER 302.A OG LEU 299.A O no hydrogen 2.919 N/A ARG 304.A N ASP 158.A O no hydrogen 2.904 N/A ARG 304.A NE ASP 158.A OD2 no hydrogen 2.706 N/A ARG 304.A NH1 GLY 144.A O no hydrogen 2.878 N/A ARG 304.A NH2 PHE 155.A O no hydrogen 2.982 N/A ARG 304.A NH2 ASP 158.A OD1 no hydrogen 2.654 N/A ARG 304.A NH2 ASP 158.A OD2 no hydrogen 3.235 N/A ILE 306.A N LEU 160.A O no hydrogen 2.616 N/A PHE 308.A N ALA 162.A O no hydrogen 3.050 N/A LEU 310.A N ASP 165.A OD1 no hydrogen 2.971 N/A ASP 311.A N ASP 165.A OD2 no hydrogen 2.811 N/A GLY 318.A N ASP 316.A OD1 no hydrogen 2.744 N/A LEU 320.A N ASP 273.A OD2 no hydrogen 2.729 N/A ARG 321.A NH1 GLU 252.A OE1 no hydrogen 3.011 N/A ARG 321.A NH1 GLU 252.A OE2 no hydrogen 3.401 N/A ARG 321.A NH1 ASP 273.A O no hydrogen 2.864 N/A ARG 321.A NH2 GLU 252.A OE2 no hydrogen 2.671 N/A ARG 325.A NH1 ARG 568.A O no hydrogen 3.224 N/A ARG 325.A NH2 ASP 565.A O no hydrogen 2.688 N/A ARG 325.A NH2 ARG 568.A O no hydrogen 2.360 N/A VAL 329.A N PHE 326.A O no hydrogen 2.782 N/A ALA 331.A N GLU 324.A OE1 no hydrogen 2.958 N/A GLN 334.A N ASP 332.A OD1 no hydrogen 3.332 N/A ARG 335.A N ASP 332.A OD2 no hydrogen 3.353 N/A LEU 336.A N ASP 332.A O no hydrogen 2.869 N/A GLN 337.A N PRO 333.A O no hydrogen 3.000 N/A GLN 338.A N GLN 334.A O no hydrogen 3.208 N/A GLN 338.A NE2 GLU 342.A OE2 no hydrogen 3.088 N/A ASP 339.A N ARG 335.A O no hydrogen 2.793 N/A CYS 340.A N LEU 336.A O no hydrogen 2.928 N/A CYS 340.A SG LEU 336.A O no hydrogen 3.105 N/A CYS 340.A SG HIS 500.A O no hydrogen 3.710 N/A TYR 341.A N GLN 337.A O no hydrogen 2.902 N/A GLU 342.A N GLN 338.A O no hydrogen 2.982 N/A ALA 343.A N ASP 339.A O no hydrogen 2.796 N/A TYR 344.A N CYS 340.A O no hydrogen 2.987 N/A ASN 345.A N TYR 341.A O no hydrogen 3.041 N/A ASN 345.A ND2 TYR 341.A O no hydrogen 2.750 N/A ILE 346.A N GLU 342.A O no hydrogen 2.921 N/A GLN 347.A N ALA 343.A O no hydrogen 3.055 N/A GLN 347.A NE2 VAL 489.A O no hydrogen 2.916 N/A GLN 347.A NE2 ASN 490.A OD1 no hydrogen 2.988 N/A VAL 348.A N TYR 344.A O no hydrogen 3.053 N/A SER 349.A N ASN 345.A O no hydrogen 3.115 N/A SER 349.A OG ASN 345.A O no hydrogen 2.947 N/A SER 349.A OG ILE 346.A O no hydrogen 3.467 N/A GLY 350.A N ILE 346.A O no hydrogen 3.046 N/A LEU 351.A N GLN 347.A O no hydrogen 3.186 N/A GLU 352.A N VAL 348.A O no hydrogen 2.839 N/A GLN 353.A N SER 349.A O no hydrogen 3.289 N/A ARG 354.A N GLY 350.A O no hydrogen 3.292 N/A ARG 354.A NH1 ASN 612.A OD1 no hydrogen 3.420 N/A ARG 354.A NH2 ASN 612.A OD1 no hydrogen 2.765 N/A LEU 355.A N LEU 351.A O no hydrogen 2.889 N/A ARG 356.A N GLU 352.A O no hydrogen 2.825 N/A ARG 356.A NH1 GLU 387.A OE2 no hydrogen 2.809 N/A ARG 356.A NH2 GLN 353.A OE1 no hydrogen 2.971 N/A ALA 357.A N GLN 353.A O no hydrogen 2.970 N/A LEU 358.A N ARG 354.A O no hydrogen 3.038 N/A ASP 359.A N ARG 356.A O no hydrogen 3.055 N/A TYR 360.A N LEU 355.A O no hydrogen 2.751 N/A TYR 360.A OH GLU 387.A OE1 no hydrogen 2.777 N/A LYS 362.A N GLY 459.A O no hydrogen 3.011 N/A LYS 362.A NZ ARG 458.A O no hydrogen 3.182 N/A VAL 363.A N ASP 393.A O no hydrogen 3.001 N/A VAL 364.A N ILE 461.A O no hydrogen 2.748 N/A ILE 365.A N LEU 395.A O no hydrogen 2.948 N/A VAL 367.A N PHE 397.A O no hydrogen 2.867 N/A SER 368.A N SER 373.A OG no hydrogen 3.239 N/A GLY 370.A N SER 368.A OG no hydrogen 2.939 N/A THR 374.A N GLY 370.A O no hydrogen 3.179 N/A THR 374.A OG1 GLY 370.A O no hydrogen 2.329 N/A HIS 375.A N LEU 371.A O no hydrogen 2.914 N/A HIS 375.A NE2 GLN 347.A OE1 no hydrogen 2.789 N/A ALA 376.A N ASP 372.A O no hydrogen 2.926 N/A LEU 377.A N SER 373.A O no hydrogen 2.890 N/A LEU 377.A N THR 374.A O no hydrogen 2.999 N/A ILE 378.A N THR 374.A O no hydrogen 3.085 N/A VAL 379.A N HIS 375.A O no hydrogen 2.874 N/A ALA 380.A N ALA 376.A O no hydrogen 2.917 N/A THR 381.A N LEU 377.A O no hydrogen 3.058 N/A THR 381.A OG1 LEU 377.A O no hydrogen 2.842 N/A HIS 382.A N ILE 378.A O no hydrogen 3.134 N/A ALA 383.A N VAL 379.A O no hydrogen 2.918 N/A MET 384.A N ALA 380.A O no hydrogen 2.973 N/A ASP 385.A N THR 381.A O no hydrogen 2.898 N/A ARG 386.A N HIS 382.A O no hydrogen 2.866 N/A GLU 387.A N ALA 383.A O no hydrogen 3.125 N/A GLU 387.A N MET 384.A O no hydrogen 3.172 N/A GLY 388.A N ASP 385.A O no hydrogen 2.903 N/A ARG 389.A N MET 384.A O no hydrogen 2.844 N/A ARG 391.A NE ASP 385.A OD1 no hydrogen 3.155 N/A ARG 391.A NE ASP 385.A OD2 no hydrogen 3.259 N/A ARG 391.A NH1 LEU 413.A O no hydrogen 2.865 N/A ARG 391.A NH2 ASP 385.A OD2 no hydrogen 2.711 N/A ASP 393.A N PRO 390.A O no hydrogen 2.973 N/A ILE 394.A N ARG 391.A O no hydrogen 3.197 N/A LEU 395.A N VAL 363.A O no hydrogen 2.658 N/A ALA 396.A N THR 416.A O no hydrogen 2.855 N/A PHE 397.A N ILE 365.A O no hydrogen 2.839 N/A ALA 398.A N SER 418.A O no hydrogen 3.024 N/A PHE 402.A N GLN 443.A OE1 no hydrogen 2.912 N/A ASN 405.A ND2 THR 525.A OG1 no hydrogen 3.334 N/A LYS 408.A N ASN 404.A O no hydrogen 2.725 N/A LEU 409.A N ASN 405.A O no hydrogen 2.888 N/A ALA 410.A N ALA 406.A O no hydrogen 3.009 N/A ARG 411.A N ILE 407.A O no hydrogen 2.886 N/A ALA 412.A N LYS 408.A O no hydrogen 2.740 N/A LEU 413.A N LEU 409.A O no hydrogen 2.862 N/A GLY 414.A N ALA 410.A O no hydrogen 2.915 N/A VAL 415.A N ALA 410.A O no hydrogen 3.302 N/A THR 416.A N ILE 394.A O no hydrogen 2.967 N/A THR 416.A OG1 SER 392.A O no hydrogen 3.054 N/A SER 418.A N ALA 396.A O no hydrogen 3.202 N/A ILE 420.A N ALA 398.A O no hydrogen 2.915 N/A ILE 422.A N PRO 400.A O no hydrogen 3.176 N/A GLY 423.A N ASP 421.A OD1 no hydrogen 2.902 N/A THR 425.A OG1 TYR 450.A OH no hydrogen 2.687 N/A ALA 426.A N ILE 422.A O no hydrogen 2.910 N/A ARG 427.A N GLY 423.A O no hydrogen 2.853 N/A LEU 428.A N ASP 424.A O no hydrogen 2.949 N/A MET 429.A N THR 425.A O no hydrogen 3.000 N/A LEU 430.A N ALA 426.A O no hydrogen 2.758 N/A HIS 431.A N ARG 427.A O no hydrogen 2.942 N/A THR 432.A N LEU 428.A O no hydrogen 2.939 N/A THR 432.A OG1 LEU 428.A O no hydrogen 2.696 N/A ILE 433.A N MET 429.A O no hydrogen 3.179 N/A GLY 434.A N HIS 431.A O no hydrogen 3.005 N/A HIS 435.A N LEU 430.A O no hydrogen 2.956 N/A HIS 435.A NE2 ASP 436.A OD2 no hydrogen 2.753 N/A PHE 439.A N ASP 436.A OD1 no hydrogen 2.551 N/A GLU 440.A N ASP 436.A O no hydrogen 2.851 N/A ASN 441.A N VAL 437.A O no hydrogen 2.590 N/A VAL 442.A N THR 438.A O no hydrogen 2.747 N/A GLN 443.A NE2 PHE 439.A O no hydrogen 3.316 N/A ALA 444.A N GLU 440.A O no hydrogen 2.998 N/A GLY 445.A N ASN 441.A O no hydrogen 2.769 N/A LEU 446.A N VAL 442.A O no hydrogen 3.119 N/A ARG 447.A N GLN 443.A O no hydrogen 3.179 N/A ARG 447.A NE LEU 399.A O no hydrogen 2.740 N/A ARG 447.A NH2 LEU 399.A O no hydrogen 3.063 N/A THR 448.A N ALA 444.A O no hydrogen 3.356 N/A THR 448.A OG1 ALA 444.A O no hydrogen 3.503 N/A ASP 449.A N GLY 445.A O no hydrogen 2.891 N/A TYR 450.A N LEU 446.A O no hydrogen 2.822 N/A TYR 450.A OH THR 425.A OG1 no hydrogen 2.687 N/A LEU 451.A N ARG 447.A O no hydrogen 3.089 N/A PHE 452.A N THR 448.A O no hydrogen 2.787 N/A ARG 453.A N ASP 449.A O no hydrogen 2.984 N/A ARG 453.A N TYR 450.A O no hydrogen 3.010 N/A ARG 453.A NH1 ASN 456.A OD1 no hydrogen 2.439 N/A ILE 454.A N TYR 450.A O no hydrogen 2.873 N/A ALA 455.A N LEU 451.A O no hydrogen 2.829 N/A ASN 456.A N PHE 452.A O no hydrogen 3.098 N/A GLN 457.A N ARG 453.A O no hydrogen 2.848 N/A ARG 458.A N ILE 454.A O no hydrogen 2.753 N/A ARG 458.A NH1 GLN 457.A OE1 no hydrogen 2.817 N/A GLY 460.A N ALA 455.A O no hydrogen 2.802 N/A ILE 461.A N LYS 362.A O no hydrogen 2.806 N/A VAL 462.A N HIS 486.A ND1 no hydrogen 2.921 N/A LEU 463.A N VAL 364.A O no hydrogen 2.878 N/A GLY 464.A N TYR 487.A O no hydrogen 2.868 N/A ASP 467.A N GLU 470.A OE1 no hydrogen 3.132 N/A LEU 468.A N VAL 493.A O no hydrogen 2.827 N/A SER 469.A OG ASP 539.A OD1 no hydrogen 2.369 N/A SER 469.A OG ASP 539.A OD2 no hydrogen 3.071 N/A GLU 470.A N ASP 467.A OD1 no hydrogen 2.927 N/A LEU 471.A N ASP 467.A O no hydrogen 3.144 N/A ALA 472.A N LEU 468.A O no hydrogen 2.872 N/A LEU 473.A N SER 469.A O no hydrogen 3.067 N/A LEU 473.A N GLU 470.A O no hydrogen 3.279 N/A GLY 474.A N LEU 471.A O no hydrogen 3.383 N/A TRP 475.A N GLU 470.A O no hydrogen 3.016 N/A THR 477.A N ASP 482.A OD2 no hydrogen 3.010 N/A THR 477.A OG1 ASN 441.A OD1 no hydrogen 3.455 N/A THR 477.A OG1 ASP 482.A OD1 no hydrogen 3.456 N/A GLY 479.A N GLN 483.A OE1 no hydrogen 3.166 N/A GLN 483.A N THR 477.A O no hydrogen 3.100 N/A GLN 483.A NE2 LYS 606.A O no hydrogen 2.942 N/A GLN 483.A NE2 ALA 609.A O no hydrogen 2.787 N/A MET 484.A N GLY 481.A O no hydrogen 2.928 N/A HIS 486.A N VAL 462.A O no hydrogen 2.879 N/A TYR 487.A N VAL 462.A O no hydrogen 3.302 N/A ASN 488.A N ASN 612.A O no hydrogen 2.621 N/A ASN 488.A ND2 GLY 466.A O no hydrogen 3.191 N/A ASN 490.A N ASN 488.A OD1 no hydrogen 3.154 N/A ASN 490.A ND2 ASP 372.A O no hydrogen 3.010 N/A ASN 490.A ND2 THR 465.A O no hydrogen 3.015 N/A VAL 493.A N ASN 490.A O no hydrogen 3.104 N/A LYS 495.A N SER 469.A OG no hydrogen 2.870 N/A LYS 495.A NZ ASP 372.A OD2 no hydrogen 3.404 N/A LYS 495.A NZ ASP 467.A OD2 no hydrogen 2.669 N/A LYS 495.A NZ GLU 470.A OE2 no hydrogen 2.855 N/A THR 496.A N ASP 539.A OD2 no hydrogen 2.997 N/A THR 496.A OG1 ASP 539.A OD2 no hydrogen 2.606 N/A LEU 497.A N PRO 494.A O no hydrogen 2.892 N/A ILE 498.A N PRO 494.A O no hydrogen 3.321 N/A ILE 498.A N LYS 495.A O no hydrogen 3.060 N/A HIS 500.A N LEU 497.A O no hydrogen 2.978 N/A HIS 500.A ND1 THR 496.A O no hydrogen 3.265 N/A LEU 501.A N LEU 497.A O no hydrogen 3.068 N/A ILE 502.A N ILE 498.A O no hydrogen 3.163 N/A ARG 503.A N GLN 499.A O no hydrogen 3.103 N/A TRP 504.A N HIS 500.A O no hydrogen 2.887 N/A TRP 504.A NE1 GLN 337.A OE1 no hydrogen 2.919 N/A VAL 505.A N LEU 501.A O no hydrogen 2.975 N/A ILE 506.A N ILE 502.A O no hydrogen 2.951 N/A SER 507.A N ARG 503.A O no hydrogen 2.918 N/A ALA 508.A N TRP 504.A O no hydrogen 2.902 N/A GLY 509.A N VAL 505.A O no hydrogen 3.001 N/A GLY 512.A N GLY 509.A O no hydrogen 3.419 N/A GLY 516.A N GLY 512.A O no hydrogen 3.004 N/A GLU 517.A N GLU 513.A O no hydrogen 2.875 N/A VAL 518.A N LYS 514.A O no hydrogen 2.891 N/A LEU 519.A N VAL 515.A O no hydrogen 2.835 N/A GLN 520.A N GLY 516.A O no hydrogen 2.839 N/A SER 521.A N GLU 517.A O no hydrogen 2.964 N/A SER 521.A OG ASN 405.A OD1 no hydrogen 3.061 N/A VAL 522.A N VAL 518.A O no hydrogen 2.873 N/A LEU 523.A N LEU 519.A O no hydrogen 2.903 N/A ASP 524.A N GLN 520.A O no hydrogen 2.935 N/A THR 525.A N SER 521.A O no hydrogen 2.809 N/A THR 525.A OG1 SER 521.A O no hydrogen 2.866 N/A GLU 526.A N VAL 522.A O no hydrogen 2.925 N/A GLU 526.A N LEU 523.A O no hydrogen 3.207 N/A ILE 527.A N LEU 523.A O no hydrogen 3.223 N/A LYS 531.A N SER 528.A O no hydrogen 2.924 N/A VAL 532.A N SER 528.A O no hydrogen 3.092 N/A LEU 537.A N PRO 534.A O no hydrogen 3.020 N/A GLN 538.A N PRO 534.A O no hydrogen 3.279 N/A GLN 538.A NE2 VAL 532.A O no hydrogen 2.660 N/A GLN 538.A NE2 TRP 591.A O no hydrogen 3.165 N/A ASP 539.A N PHE 535.A O no hydrogen 2.813 N/A PHE 540.A N ALA 536.A O no hydrogen 3.167 N/A SER 541.A N LEU 537.A O no hydrogen 3.062 N/A SER 541.A OG LEU 537.A O no hydrogen 3.327 N/A LEU 542.A N GLN 538.A O no hydrogen 2.768 N/A PHE 543.A N ASP 539.A O no hydrogen 3.107 N/A GLN 544.A N PHE 540.A O no hydrogen 3.300 N/A GLN 544.A NE2 PHE 540.A O no hydrogen 3.378 N/A VAL 545.A N SER 541.A O no hydrogen 2.858 N/A LEU 546.A N LEU 542.A O no hydrogen 2.759 N/A ARG 547.A N PHE 543.A O no hydrogen 2.827 N/A ARG 547.A NE GLU 282.A OE2 no hydrogen 3.221 N/A ARG 547.A NH1 HIS 618.A O no hydrogen 2.920 N/A ARG 547.A NH2 GLU 282.A OE1 no hydrogen 2.933 N/A TYR 548.A N GLN 544.A O no hydrogen 3.061 N/A GLY 549.A N VAL 545.A O no hydrogen 2.968 N/A PHE 550.A N GLN 544.A O no hydrogen 3.468 N/A ARG 551.A NH1 GLU 277.A OE1 no hydrogen 3.356 N/A ARG 551.A NH1 GLU 277.A OE2 no hydrogen 2.958 N/A ARG 551.A NH2 GLU 277.A OE2 no hydrogen 3.354 N/A SER 553.A N GLN 642.A OE1 no hydrogen 2.698 N/A LYS 554.A NZ HIS 9.A O no hydrogen 3.026 N/A LYS 554.A NZ ASP 275.A OD1 no hydrogen 2.741 N/A LYS 554.A NZ ASP 275.A OD2 no hydrogen 3.197 N/A LYS 554.A NZ GLU 277.A OE1 no hydrogen 3.025 N/A ILE 555.A N ARG 551.A O no hydrogen 3.116 N/A ALA 556.A N PRO 552.A O no hydrogen 2.916 N/A PHE 557.A N SER 553.A O no hydrogen 3.050 N/A LEU 558.A N LYS 554.A O no hydrogen 3.038 N/A ALA 559.A N ILE 555.A O no hydrogen 2.912 N/A TRP 560.A N ALA 556.A O no hydrogen 2.911 N/A HIS 561.A N PHE 557.A O no hydrogen 2.984 N/A ALA 562.A N LEU 558.A O no hydrogen 2.952 N/A TRP 563.A N ALA 559.A O no hydrogen 2.811 N/A TRP 563.A NE1 ARG 325.A O no hydrogen 3.081 N/A ASN 564.A N TRP 560.A O no hydrogen 3.031 N/A GLU 567.A N ASP 565.A OD1 no hydrogen 3.094 N/A TRP 571.A NE1 ALA 566.A O no hydrogen 2.929 N/A GLU 579.A N PRO 576.A O no hydrogen 2.863 N/A ARG 580.A N LYS 577.A O no hydrogen 3.285 N/A ARG 580.A NE PHE 575.A O no hydrogen 2.736 N/A ARG 580.A NH2 PHE 575.A O no hydrogen 3.151 N/A TYR 583.A N TRP 563.A O no hydrogen 3.117 N/A GLU 587.A N SER 584.A OG no hydrogen 3.426 N/A ILE 588.A N SER 584.A O no hydrogen 2.989 N/A ARG 589.A N LEU 585.A O no hydrogen 2.725 N/A ARG 589.A NE VAL 647.A O no hydrogen 2.954 N/A ARG 589.A NH2 ILE 643.A O no hydrogen 3.355 N/A ARG 589.A NH2 VAL 647.A O no hydrogen 3.299 N/A HIS 590.A N ALA 586.A O no hydrogen 3.077 N/A TRP 591.A N GLU 587.A O no hydrogen 2.991 N/A LEU 592.A N ILE 588.A O no hydrogen 3.045 N/A GLN 593.A N ARG 589.A O no hydrogen 3.105 N/A ILE 594.A N HIS 590.A O no hydrogen 3.219 N/A PHE 595.A N TRP 591.A O no hydrogen 2.844 N/A VAL 596.A N LEU 592.A O no hydrogen 2.972 N/A GLN 597.A N GLN 593.A O no hydrogen 3.217 N/A ARG 598.A N ILE 594.A O no hydrogen 2.996 N/A ARG 598.A NE LEU 473.A O no hydrogen 2.518 N/A ARG 598.A NH2 LEU 473.A O no hydrogen 2.928 N/A ARG 598.A NH2 GLY 474.A O no hydrogen 3.375 N/A PHE 599.A N PHE 595.A O no hydrogen 2.692 N/A TYR 600.A N VAL 596.A O no hydrogen 2.961 N/A SER 601.A N GLN 597.A O no hydrogen 3.248 N/A SER 601.A OG GLN 597.A OE1 no hydrogen 3.495 N/A SER 601.A OG MET 634.A O no hydrogen 3.083 N/A PHE 602.A N GLN 597.A O no hydrogen 3.155 N/A SER 603.A N ARG 598.A O no hydrogen 2.954 N/A SER 603.A OG ALA 472.A O no hydrogen 3.274 N/A SER 603.A OG ARG 598.A O no hydrogen 2.429 N/A SER 603.A OG PHE 599.A O no hydrogen 3.350 N/A LYS 606.A N SER 603.A O no hydrogen 2.999 N/A LYS 606.A NZ GLY 474.A O no hydrogen 2.760 N/A LYS 606.A NZ SER 476.A O no hydrogen 2.852 N/A ARG 607.A N SER 603.A O no hydrogen 3.417 N/A ARG 607.A NE LEU 471.A O no hydrogen 3.185 N/A ARG 607.A NH1 PHE 599.A O no hydrogen 3.323 N/A ARG 607.A NH1 GLN 604.A OE1 no hydrogen 2.602 N/A ARG 607.A NH2 LEU 471.A O no hydrogen 3.460 N/A ARG 607.A NH2 ALA 472.A O no hydrogen 2.683 N/A ARG 607.A NH2 PHE 599.A O no hydrogen 3.406 N/A SER 608.A N GLN 604.A O no hydrogen 2.721 N/A SER 608.A N PHE 605.A O no hydrogen 3.220 N/A LYS 615.A NZ ASP 627.A OD2 no hydrogen 3.068 N/A GLY 619.A N SER 617.A OG no hydrogen 2.679 N/A GLY 620.A N SER 617.A O no hydrogen 3.015 N/A ALA 621.A N ASP 627.A OD1 no hydrogen 3.008 N/A ARG 625.A N SER 623.A OG no hydrogen 3.049 N/A ARG 625.A NH1 LEU 610.A O no hydrogen 2.805 N/A ARG 625.A NH2 LEU 610.A O no hydrogen 3.369 N/A ARG 625.A NH2 PRO 611.A O no hydrogen 3.027 N/A GLY 626.A N SER 623.A O no hydrogen 2.882 N/A TRP 628.A N SER 623.A O no hydrogen 3.218 N/A ARG 637.A N SER 635.A OG no hydrogen 2.979 N/A LEU 640.A N ALA 636.A O no hydrogen 3.148 N/A ASP 641.A N ARG 637.A O no hydrogen 2.751 N/A GLN 642.A N ILE 638.A O no hydrogen 2.842 N/A GLN 642.A NE2 SER 553.A OG no hydrogen 2.954 N/A ILE 643.A N TRP 639.A O no hydrogen 3.157 N/A ASP 644.A N LEU 640.A O no hydrogen 3.048 N/A ARG 645.A N ASP 641.A O no hydrogen 2.955 N/A ARG 645.A NH1 ASP 641.A OD2 no hydrogen 2.865 N/A ARG 645.A NH2 GLU 646.A OE2 no hydrogen 3.469 N/A GLU 646.A N GLN 642.A O no hydrogen 2.815 N/A VAL 647.A N ILE 643.A O no hydrogen 3.109 N/A