Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1a5n_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1 VAL 16.A O no hydrogen 2.850 N/A ARG 5.A NH2 VAL 16.A O no hydrogen 2.972 N/A GLN 6.A NE2 GLN 6.A O no hydrogen 2.787 N/A TYR 8.A N SER 4.A O no hydrogen 2.928 N/A TYR 8.A OH GLU 41.A OE2 no hydrogen 2.846 N/A ALA 9.A N ARG 5.A O no hydrogen 2.891 N/A ASP 10.A N GLN 6.A O no hydrogen 3.090 N/A MET 11.A N ALA 7.A O no hydrogen 3.142 N/A MET 11.A N TYR 8.A O no hydrogen 3.066 N/A PHE 12.A N TYR 8.A O no hydrogen 2.789 N/A GLY 13.A N ALA 9.A O no hydrogen 2.768 N/A THR 15.A N ASP 18.A OD2 no hydrogen 2.894 N/A THR 15.A OG1 ASP 34.A OD2 no hydrogen 2.634 N/A THR 15.A OG1 TYR 38.A OH no hydrogen 2.735 N/A VAL 16.A N THR 15.A OG1 no hydrogen 2.657 N/A GLY 17.A N VAL 31.A O no hydrogen 3.111 N/A ASP 18.A N THR 15.A O no hydrogen 2.949 N/A LYS 19.A NZ GLU 30.A OE1 no hydrogen 3.341 N/A VAL 20.A N ILE 29.A O no hydrogen 2.940 N/A ARG 21.A NE THR 25.A O no hydrogen 2.839 N/A ARG 21.A NH2 GLU 26.A OE2 no hydrogen 3.002 N/A LEU 22.A N LEU 27.A O no hydrogen 2.934 N/A ALA 23.A N PRO 421.A O no hydrogen 2.890 N/A THR 25.A N LEU 22.A O no hydrogen 3.012 N/A THR 25.A OG1 LEU 22.A O no hydrogen 2.782 N/A GLU 26.A N HIS 363.A ND1 no hydrogen 3.189 N/A LEU 27.A N THR 25.A OG1 no hydrogen 3.033 N/A TRP 28.A N ASP 380.A OD2 no hydrogen 3.287 N/A ILE 29.A N VAL 20.A O no hydrogen 2.939 N/A GLU 30.A N ASN 381.A OD1 no hydrogen 3.048 N/A VAL 31.A N ASP 18.A O no hydrogen 3.068 N/A GLU 32.A N ILE 80.A O no hydrogen 2.986 N/A ASP 34.A N ASP 33.A OD1 no hydrogen 2.921 N/A LEU 35.A N LYS 82.A O no hydrogen 2.929 N/A THR 36.A N ASP 34.A OD1 no hydrogen 3.168 N/A THR 37.A OG1 ASN 106.A OD1 no hydrogen 3.273 N/A TYR 38.A OH THR 15.A OG1 no hydrogen 2.735 N/A GLY 39.A N GLU 41.A OE1 no hydrogen 3.195 N/A GLY 39.A N GLU 41.A OE2 no hydrogen 3.060 N/A GLU 40.A N THR 37.A O no hydrogen 2.796 N/A LYS 43.A NZ GLU 121.A OE2 no hydrogen 3.206 N/A LYS 48.A N GLY 45.A O no hydrogen 3.020 N/A ILE 50.A N LYS 43.A O no hydrogen 3.089 N/A ARG 51.A N VAL 49.A O no hydrogen 2.742 N/A ARG 51.A NE LYS 48.A O no hydrogen 2.962 N/A GLY 53.A N GLN 56.A O no hydrogen 2.941 N/A MET 54.A N ARG 51.A O no hydrogen 2.820 N/A GLY 55.A N VAL 49.A O no hydrogen 2.829 N/A GLN 56.A N ARG 51.A O no hydrogen 3.229 N/A GLY 57.A N ILE 111.A O no hydrogen 2.756 N/A GLN 58.A NE2 ASP 52.A OD1 no hydrogen 3.130 N/A ASP 63.A N LEU 60.A O no hydrogen 2.859 N/A CYS 64.A N ALA 61.A O no hydrogen 3.323 N/A CYS 64.A SG LEU 60.A O no hydrogen 3.564 N/A CYS 64.A SG ALA 61.A O no hydrogen 3.894 N/A VAL 65.A N PRO 110.A O no hydrogen 3.169 N/A ASP 66.A N VAL 87.A O no hydrogen 2.936 N/A LEU 67.A N VAL 87.A O no hydrogen 3.092 N/A VAL 68.A N GLU 116.A O no hydrogen 3.011 N/A LEU 69.A N ILE 85.A O no hydrogen 2.870 N/A THR 70.A N ILE 118.A O no hydrogen 2.996 N/A THR 70.A OG1 ILE 118.A O no hydrogen 3.505 N/A THR 70.A OG1 GLU 121.A OE1 no hydrogen 2.835 N/A ASN 71.A N ASP 84.A OD1 no hydrogen 2.813 N/A ASN 71.A ND2 VAL 42.A O no hydrogen 3.148 N/A ASN 71.A ND2 GLU 121.A OE1 no hydrogen 3.114 N/A ALA 72.A N ALA 83.A O no hydrogen 2.888 N/A LEU 73.A N LYS 123.A O no hydrogen 3.242 N/A ILE 74.A N VAL 81.A O no hydrogen 2.656 N/A VAL 75.A N VAL 125.A O no hydrogen 3.142 N/A ASP 76.A N GLY 79.A O no hydrogen 2.974 N/A HIS 77.A NE2 GLU 409.A OE2 no hydrogen 3.283 N/A GLY 79.A N ASP 76.A O no hydrogen 3.078 N/A ILE 80.A N GLU 32.A OE1 no hydrogen 3.110 N/A VAL 81.A N ILE 74.A O no hydrogen 3.009 N/A LYS 82.A N ASP 33.A O no hydrogen 2.894 N/A LYS 82.A NZ PHE 12.A O no hydrogen 2.777 N/A LYS 82.A NZ GLY 13.A O no hydrogen 3.477 N/A LYS 82.A NZ PRO 14.A O no hydrogen 3.249 N/A ALA 83.A N ALA 72.A O no hydrogen 2.920 N/A ASP 84.A N GLY 96.A O no hydrogen 3.058 N/A ILE 85.A N LEU 69.A O no hydrogen 2.896 N/A GLY 86.A N ALA 94.A O no hydrogen 2.817 N/A VAL 87.A N LEU 67.A O no hydrogen 2.904 N/A LYS 88.A N ARG 91.A O no hydrogen 2.915 N/A LYS 88.A NZ ALA 62.A O no hydrogen 2.564 N/A ASP 89.A N ASP 66.A OD2 no hydrogen 3.029 N/A ARG 91.A N LYS 88.A O no hydrogen 3.067 N/A ARG 91.A NH1 GLU 404.A OE1 no hydrogen 2.998 N/A ARG 91.A NH1 GLY 411.A O no hydrogen 2.989 N/A ARG 91.A NH2 GLU 404.A OE1 no hydrogen 2.767 N/A ILE 92.A N LYS 412.A O no hydrogen 2.835 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 3.350 N/A GLY 96.A N ASP 84.A O no hydrogen 3.042 N/A LYS 97.A N THR 108.A OG1 no hydrogen 2.976 N/A LYS 97.A NZ GLU 40.A O no hydrogen 2.670 N/A LYS 97.A NZ ALA 98.A O no hydrogen 2.911 N/A ALA 98.A N ASP 84.A OD2 no hydrogen 2.939 N/A GLY 99.A N ILE 109.A O no hydrogen 2.982 N/A ASN 100.A N GLN 104.A OE1 no hydrogen 2.851 N/A ASN 100.A ND2 MET 54.A O no hydrogen 3.013 N/A ASP 102.A N ASN 100.A OD1 no hydrogen 2.946 N/A ILE 103.A N ASN 100.A O no hydrogen 3.186 N/A GLN 104.A N ASN 100.A O no hydrogen 2.806 N/A GLN 104.A NE2 GLU 40.A OE1 no hydrogen 3.156 N/A THR 108.A N LYS 97.A O no hydrogen 2.682 N/A THR 108.A OG1 LYS 97.A O no hydrogen 3.452 N/A ILE 109.A N LYS 97.A O no hydrogen 3.019 N/A ILE 111.A N GLY 99.A O no hydrogen 3.036 N/A GLY 112.A N THR 115.A OG1 no hydrogen 2.834 N/A THR 115.A N GLY 112.A O no hydrogen 2.954 N/A THR 115.A OG1 VAL 65.A O no hydrogen 2.685 N/A THR 115.A OG1 GLY 112.A O no hydrogen 3.341 N/A GLU 116.A N ASP 66.A O no hydrogen 2.742 N/A VAL 117.A N GLU 116.A OE1 no hydrogen 2.823 N/A ILE 118.A N VAL 68.A O no hydrogen 2.941 N/A ALA 120.A N THR 70.A O no hydrogen 2.886 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.959 N/A LYS 123.A N ALA 120.A O no hydrogen 2.908 N/A ILE 124.A N TRP 419.A O no hydrogen 2.799 N/A VAL 125.A N LEU 73.A O no hydrogen 2.957 N/A THR 126.A N VAL 417.A O no hydrogen 2.994 N/A THR 126.A OG1 ALA 127.A O no hydrogen 3.295 N/A GLY 128.A N ASP 415.A O no hydrogen 3.029 N/A GLY 129.A N GLY 149.A O no hydrogen 2.769 N/A ILE 130.A N TYR 391.A O no hydrogen 2.848 N/A ASP 131.A N THR 152.A O no hydrogen 3.059 N/A HIS 133.A N ASP 131.A OD1 no hydrogen 3.407 N/A ILE 134.A N VAL 154.A O no hydrogen 3.052 N/A HIS 135.A N SER 345.A OG no hydrogen 2.874 N/A HIS 135.A ND1 THR 164.A O no hydrogen 2.785 N/A TRP 136.A N GLY 156.A O no hydrogen 2.968 N/A ILE 137.A N HIS 135.A O no hydrogen 2.690 N/A GLN 140.A N GLN 140.A OE1 no hydrogen 2.694 N/A GLN 141.A NE2 HIS 135.A O no hydrogen 3.208 N/A GLN 141.A NE2 SER 345.A OG no hydrogen 3.074 N/A ALA 142.A N PRO 139.A O no hydrogen 3.344 N/A GLU 144.A N GLN 140.A O no hydrogen 3.412 N/A ALA 145.A N GLN 141.A O no hydrogen 2.926 N/A LEU 146.A N ALA 142.A O no hydrogen 2.842 N/A VAL 147.A N GLU 143.A O no hydrogen 2.961 N/A SER 148.A N GLU 144.A O no hydrogen 3.352 N/A SER 148.A N ALA 145.A O no hydrogen 3.118 N/A SER 148.A OG ALA 145.A O no hydrogen 2.676 N/A GLY 149.A N LEU 146.A O no hydrogen 3.044 N/A VAL 150.A N ALA 145.A O no hydrogen 3.022 N/A THR 151.A N GLY 129.A O no hydrogen 2.867 N/A THR 152.A N GLY 129.A O no hydrogen 3.236 N/A MET 153.A N ASN 189.A O no hydrogen 2.752 N/A VAL 154.A N ASP 131.A O no hydrogen 2.816 N/A GLY 155.A N GLY 191.A O no hydrogen 3.305 N/A GLY 156.A N ILE 134.A O no hydrogen 3.132 N/A GLY 157.A N THR 170.A OG1 no hydrogen 3.013 N/A THR 158.A N THR 164.A OG1 no hydrogen 2.918 N/A ALA 161.A N GLY 159.A O no hydrogen 2.744 N/A HIS 165.A N ALA 161.A O no hydrogen 2.934 N/A ALA 166.A N ALA 162.A O no hydrogen 3.186 N/A THR 167.A N GLY 163.A O no hydrogen 2.759 N/A THR 167.A OG1 GLY 163.A O no hydrogen 2.738 N/A CYS 169.A SG THR 167.A OG1 no hydrogen 3.628 N/A CYS 169.A SG GLY 194.A O no hydrogen 4.007 N/A CYS 169.A SG ALA 216.A O no hydrogen 3.628 N/A THR 170.A N LEU 193.A O no hydrogen 3.025 N/A THR 170.A OG1 GLY 157.A O no hydrogen 3.498 N/A THR 170.A OG1 LEU 193.A O no hydrogen 3.193 N/A GLY 172.A N GLN 207.A OE1 no hydrogen 3.312 N/A ILE 176.A N GLY 172.A O no hydrogen 2.841 N/A SER 177.A N PRO 173.A O no hydrogen 2.884 N/A SER 177.A OG PRO 173.A O no hydrogen 2.638 N/A ARG 178.A N TRP 174.A O no hydrogen 2.967 N/A ARG 178.A NE GLN 181.A OE1 no hydrogen 3.326 N/A ARG 178.A NH2 GLN 181.A OE1 no hydrogen 2.965 N/A MET 179.A N TYR 175.A O no hydrogen 2.875 N/A LEU 180.A N ILE 176.A O no hydrogen 2.858 N/A GLN 181.A N SER 177.A O no hydrogen 3.124 N/A GLN 181.A NE2 LEU 489.A O no hydrogen 3.049 N/A ALA 182.A N ARG 178.A O no hydrogen 2.994 N/A ALA 183.A N MET 179.A O no hydrogen 2.903 N/A ASP 184.A N GLN 181.A O no hydrogen 3.364 N/A SER 185.A N ALA 182.A O no hydrogen 3.009 N/A SER 185.A OG ALA 182.A O no hydrogen 3.464 N/A LEU 186.A N ALA 183.A O no hydrogen 2.904 N/A ASN 189.A N THR 151.A O no hydrogen 2.898 N/A ASN 189.A ND2 THR 152.A OG1 no hydrogen 2.868 N/A ASN 189.A ND2 ASP 415.A OD2 no hydrogen 2.662 N/A ILE 190.A N LEU 473.A O no hydrogen 3.020 N/A GLY 191.A N MET 153.A O no hydrogen 3.310 N/A LEU 193.A N GLY 155.A O no hydrogen 2.921 N/A GLY 194.A N GLY 214.A O no hydrogen 2.978 N/A LYS 195.A N GLN 207.A OE1 no hydrogen 3.096 N/A GLY 196.A N ALA 216.A O no hydrogen 3.096 N/A ASN 197.A ND2 HIS 218.A O no hydrogen 2.967 N/A ASN 197.A ND2 GLY 222.A O no hydrogen 2.787 N/A VAL 198.A N GLY 196.A O no hydrogen 3.118 N/A ALA 203.A N GLN 200.A O no hydrogen 3.027 N/A LEU 204.A N PRO 201.A O no hydrogen 2.969 N/A ARG 205.A N PRO 201.A O no hydrogen 2.976 N/A ARG 205.A NE GLU 237.A OE2 no hydrogen 3.178 N/A ARG 205.A NH1 ASP 202.A OD1 no hydrogen 2.953 N/A ARG 205.A NH2 GLU 237.A OE1 no hydrogen 3.409 N/A GLU 206.A N ASP 202.A O no hydrogen 3.131 N/A GLN 207.A NE2 LYS 195.A O no hydrogen 2.879 N/A GLN 207.A NE2 ALA 203.A O no hydrogen 3.196 N/A VAL 208.A N LEU 204.A O no hydrogen 2.990 N/A ALA 209.A N ARG 205.A O no hydrogen 2.806 N/A ALA 210.A N GLU 206.A O no hydrogen 2.766 N/A GLY 211.A N GLN 207.A O no hydrogen 3.119 N/A GLY 211.A N VAL 208.A O no hydrogen 3.154 N/A VAL 212.A N GLN 207.A O no hydrogen 3.337 N/A ILE 213.A N LEU 192.A O no hydrogen 2.750 N/A LEU 215.A N GLN 241.A O no hydrogen 2.957 N/A ALA 216.A N GLY 194.A O no hydrogen 2.878 N/A ILE 217.A N ALA 243.A O no hydrogen 2.801 N/A HIS 218.A N ASN 197.A OD1 no hydrogen 3.006 N/A ASP 220.A N HIS 218.A ND1 no hydrogen 3.306 N/A TRP 221.A N HIS 218.A O no hydrogen 3.044 N/A TRP 221.A NE1 THR 167.A OG1 no hydrogen 3.045 N/A GLY 222.A N GLU 219.A O no hydrogen 2.985 N/A ALA 227.A N THR 224.A OG1 no hydrogen 3.372 N/A ILE 228.A N THR 224.A O no hydrogen 2.870 N/A ASP 229.A N PRO 225.A O no hydrogen 2.971 N/A CYS 230.A N ALA 226.A O no hydrogen 3.073 N/A ALA 231.A N ALA 227.A O no hydrogen 2.993 N/A LEU 232.A N ILE 228.A O no hydrogen 3.033 N/A THR 233.A N ASP 229.A O no hydrogen 3.037 N/A THR 233.A OG1 ASP 229.A O no hydrogen 2.940 N/A VAL 234.A N CYS 230.A O no hydrogen 3.289 N/A ALA 235.A N ALA 231.A O no hydrogen 2.888 N/A ASP 236.A N LEU 232.A O no hydrogen 2.964 N/A GLU 237.A N THR 233.A O no hydrogen 3.300 N/A GLU 237.A N VAL 234.A O no hydrogen 3.076 N/A MET 238.A N VAL 234.A O no hydrogen 2.866 N/A MET 238.A N ALA 235.A O no hydrogen 3.269 N/A ILE 240.A N ALA 235.A O no hydrogen 3.506 N/A GLN 241.A N ILE 213.A O no hydrogen 3.445 N/A GLN 241.A NE2 THR 398.A O no hydrogen 2.944 N/A GLN 241.A NE2 CYS 501.A O no hydrogen 2.927 N/A VAL 242.A N GLN 241.A OE1 no hydrogen 2.820 N/A ALA 243.A N LEU 215.A O no hydrogen 3.123 N/A LEU 244.A N HIS 268.A O no hydrogen 2.837 N/A HIS 245.A N ILE 217.A O no hydrogen 2.924 N/A HIS 245.A NE2 GLU 219.A OE2 no hydrogen 2.961 N/A THR 248.A N GLU 219.A OE1 no hydrogen 2.945 N/A THR 248.A OG1 GLU 219.A OE1 no hydrogen 3.365 N/A THR 248.A OG1 GLU 219.A OE2 no hydrogen 2.710 N/A THR 248.A OG1 GLY 278.A O no hydrogen 3.106 N/A ASN 250.A N ASP 247.A O no hydrogen 3.180 N/A ASN 250.A ND2 ALA 280.A O no hydrogen 3.086 N/A GLU 251.A N ASP 247.A OD1 no hydrogen 3.338 N/A SER 252.A N ASP 247.A OD2 no hydrogen 2.945 N/A SER 252.A OG ASP 247.A OD2 no hydrogen 2.919 N/A PHE 254.A N ASP 257.A OD2 no hydrogen 2.925 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 2.958 N/A ASP 257.A N PHE 254.A O no hydrogen 3.081 N/A THR 258.A N PHE 254.A O no hydrogen 3.293 N/A THR 258.A OG1 HIS 279.A NE2 no hydrogen 2.565 N/A LEU 259.A N VAL 255.A O no hydrogen 2.882 N/A ALA 260.A N GLU 256.A O no hydrogen 2.943 N/A ALA 261.A N ASP 257.A O no hydrogen 2.854 N/A ILE 262.A N THR 258.A O no hydrogen 2.924 N/A GLY 263.A N LEU 259.A O no hydrogen 3.132 N/A ARG 265.A N ILE 262.A O no hydrogen 3.214 N/A ARG 265.A NE ILE 262.A O no hydrogen 2.916 N/A ARG 265.A NH1 ASP 229.A OD1 no hydrogen 3.095 N/A ARG 265.A NH2 ASP 229.A OD1 no hydrogen 2.839 N/A ARG 265.A NH2 ALA 261.A O no hydrogen 2.763 N/A ARG 265.A NH2 ILE 262.A O no hydrogen 3.523 N/A THR 266.A OG1 ARG 502.A O no hydrogen 2.773 N/A THR 266.A OG1 VAL 504.A O no hydrogen 2.987 N/A ILE 267.A N ASN 291.A O no hydrogen 3.105 N/A HIS 268.A N VAL 242.A O no hydrogen 2.942 N/A HIS 268.A ND1 HIS 399.A NE2 no hydrogen 3.253 N/A HIS 268.A NE2 SER 295.A OG no hydrogen 2.753 N/A THR 269.A N LEU 293.A O no hydrogen 2.996 N/A THR 269.A OG1 THR 272.A OG1 no hydrogen 2.849 N/A PHE 270.A N LEU 244.A O no hydrogen 2.868 N/A HIS 271.A ND1 HIS 271.A O no hydrogen 2.890 N/A THR 272.A N SER 295.A O no hydrogen 2.940 N/A THR 272.A OG1 THR 269.A O no hydrogen 3.140 N/A THR 272.A OG1 THR 269.A OG1 no hydrogen 2.849 N/A THR 272.A OG1 SER 295.A O no hydrogen 3.413 N/A GLY 274.A N HIS 271.A O no hydrogen 2.990 N/A ALA 275.A N GLU 273.A OE1 no hydrogen 2.993 N/A GLY 277.A N GLY 274.A O no hydrogen 2.781 N/A GLY 278.A N THR 248.A OG1 no hydrogen 2.815 N/A HIS 279.A N SER 246.A OG no hydrogen 3.175 N/A HIS 279.A ND1 ASN 250.A OD1 no hydrogen 2.762 N/A HIS 279.A NE2 THR 258.A OG1 no hydrogen 2.565 N/A ALA 280.A N THR 248.A O no hydrogen 3.454 N/A ILE 283.A N HIS 279.A O no hydrogen 3.076 N/A THR 285.A N ASP 282.A O no hydrogen 3.106 N/A THR 285.A OG1 ASP 282.A O no hydrogen 2.887 N/A ALA 286.A N ILE 283.A O no hydrogen 3.032 N/A CYS 287.A N ILE 284.A O no hydrogen 3.272 N/A CYS 287.A SG ILE 284.A O no hydrogen 3.440 N/A ALA 288.A N THR 285.A O no hydrogen 3.164 N/A HIS 289.A N ALA 286.A O no hydrogen 3.100 N/A ASN 291.A ND2 ARG 265.A O no hydrogen 2.892 N/A LEU 293.A N ILE 267.A O no hydrogen 2.918 N/A SER 295.A N THR 269.A O no hydrogen 3.289 N/A SER 295.A OG HIS 268.A NE2 no hydrogen 2.753 N/A SER 295.A OG THR 269.A O no hydrogen 3.387 N/A SER 296.A N LEU 340.A O no hydrogen 3.021 N/A SER 296.A OG GLU 329.A OE2 no hydrogen 2.830 N/A ASN 298.A ND2 ARG 350.A O no hydrogen 2.729 N/A THR 300.A OG1 THR 297.A O no hydrogen 3.483 N/A THR 300.A OG1 GLU 329.A OE1 no hydrogen 2.850 N/A THR 300.A OG1 GLU 329.A OE2 no hydrogen 3.450 N/A LEU 301.A N ASN 298.A O no hydrogen 3.006 N/A TYR 303.A N ASP 330.A OD2 no hydrogen 2.842 N/A THR 304.A N THR 307.A OG1 no hydrogen 3.089 N/A THR 304.A OG1 THR 307.A OG1 no hydrogen 3.132 N/A LEU 305.A N ALA 539.A O no hydrogen 2.926 N/A THR 307.A OG1 THR 304.A O no hydrogen 3.396 N/A THR 307.A OG1 THR 304.A OG1 no hydrogen 3.132 N/A GLU 310.A N ASN 306.A O no hydrogen 3.066 N/A HIS 311.A N THR 307.A O no hydrogen 3.100 N/A HIS 311.A ND1 THR 307.A O no hydrogen 2.881 N/A ARG 320.A N PHE 316.A O no hydrogen 3.105 N/A ARG 320.A N ALA 317.A O no hydrogen 3.210 N/A ARG 320.A NE ALA 275.A O no hydrogen 2.949 N/A ILE 321.A N ALA 317.A O no hydrogen 2.912 N/A ARG 322.A NE THR 325.A OG1 no hydrogen 3.045 N/A ARG 322.A NH1 SER 319.A O no hydrogen 2.661 N/A ARG 323.A NH1 TYR 303.A OH no hydrogen 2.935 N/A THR 325.A OG1 GLU 273.A OE2 no hydrogen 2.574 N/A THR 325.A OG1 ARG 322.A O no hydrogen 3.026 N/A ILE 326.A N ARG 322.A O no hydrogen 3.023 N/A ALA 327.A N ARG 323.A O no hydrogen 2.974 N/A ALA 328.A N GLU 324.A O no hydrogen 3.233 N/A GLU 329.A N THR 325.A O no hydrogen 3.024 N/A ASP 330.A N ALA 327.A O no hydrogen 3.313 N/A LEU 332.A N ALA 328.A O no hydrogen 2.874 N/A HIS 333.A N GLU 329.A O no hydrogen 3.012 N/A HIS 333.A NE2 LEU 340.A O no hydrogen 3.167 N/A ASP 334.A N ASP 330.A O no hydrogen 3.167 N/A LEU 335.A N VAL 331.A O no hydrogen 2.896 N/A GLY 336.A N HIS 333.A O no hydrogen 3.139 N/A ALA 337.A N LEU 332.A O no hydrogen 2.766 N/A PHE 338.A N LEU 332.A O no hydrogen 3.218 N/A SER 339.A N PRO 294.A O no hydrogen 3.038 N/A SER 339.A OG ASN 512.A O no hydrogen 2.770 N/A LEU 340.A N PRO 294.A O no hydrogen 3.156 N/A THR 341.A N LYS 390.A O no hydrogen 3.348 N/A THR 341.A OG1 THR 358.A OG1 no hydrogen 2.974 N/A SER 342.A N SER 296.A O no hydrogen 2.801 N/A SER 342.A OG SER 296.A O no hydrogen 3.002 N/A SER 343.A N ASP 131.A OD1 no hydrogen 2.988 N/A SER 343.A OG ASP 131.A OD2 no hydrogen 2.631 N/A ASP 344.A N HIS 133.A O no hydrogen 2.990 N/A GLN 346.A N GLY 349.A O no hydrogen 3.107 N/A GLN 346.A NE2 GLN 141.A OE1 no hydrogen 2.743 N/A ALA 347.A N ASP 344.A O no hydrogen 3.158 N/A ARG 350.A N ASN 298.A OD1 no hydrogen 2.878 N/A ARG 350.A NH1 GLU 310.A OE2 no hydrogen 3.343 N/A ARG 350.A NH2 GLU 310.A OE2 no hydrogen 2.654 N/A GLU 353.A N ARG 350.A O no hydrogen 3.017 N/A ARG 357.A N GLU 353.A O no hydrogen 2.984 N/A ARG 357.A NE GLU 353.A OE1 no hydrogen 2.819 N/A ARG 357.A NH1 ASN 298.A O no hydrogen 3.330 N/A ARG 357.A NH1 LEU 301.A O no hydrogen 3.017 N/A ARG 357.A NH2 GLU 353.A OE1 no hydrogen 3.063 N/A THR 358.A N VAL 354.A O no hydrogen 3.259 N/A THR 358.A OG1 THR 341.A OG1 no hydrogen 2.974 N/A THR 358.A OG1 VAL 354.A O no hydrogen 2.779 N/A TRP 359.A N ILE 355.A O no hydrogen 3.247 N/A TRP 359.A NE1 TYR 391.A OH no hydrogen 3.028 N/A GLN 360.A N LEU 356.A O no hydrogen 3.232 N/A GLN 360.A NE2 PRO 543.A O no hydrogen 2.809 N/A VAL 361.A N ARG 357.A O no hydrogen 2.975 N/A ALA 362.A N THR 358.A O no hydrogen 3.181 N/A HIS 363.A N TRP 359.A O no hydrogen 2.981 N/A ARG 364.A N GLN 360.A O no hydrogen 3.022 N/A ARG 364.A NH2 GLU 537.A O no hydrogen 2.890 N/A MET 365.A N VAL 361.A O no hydrogen 2.814 N/A LYS 366.A N ALA 362.A O no hydrogen 2.930 N/A LYS 366.A NZ GLU 26.A O no hydrogen 2.789 N/A LYS 366.A NZ ASP 380.A OD2 no hydrogen 2.818 N/A VAL 367.A N HIS 363.A O no hydrogen 2.962 N/A GLN 368.A N ARG 364.A O no hydrogen 2.990 N/A GLN 368.A NE2 ARG 364.A O no hydrogen 3.152 N/A ARG 369.A N MET 365.A O no hydrogen 2.720 N/A ARG 369.A NE ASP 334.A OD2 no hydrogen 3.090 N/A ARG 369.A NH2 ASP 334.A OD2 no hydrogen 3.355 N/A GLY 370.A N LYS 366.A O no hydrogen 2.779 N/A GLU 375.A N LEU 372.A O no hydrogen 2.979 N/A ASN 379.A ND2 THR 376.A O no hydrogen 3.308 N/A ASP 380.A N TRP 28.A O no hydrogen 2.879 N/A ASN 381.A ND2 GLU 30.A O no hydrogen 2.984 N/A ASN 381.A ND2 GLU 32.A OE2 no hydrogen 3.148 N/A PHE 382.A N GLU 375.A OE1 no hydrogen 3.349 N/A ARG 383.A N GLU 375.A OE2 no hydrogen 2.783 N/A ARG 383.A NE ASP 334.A OD1 no hydrogen 2.978 N/A ARG 383.A NH1 GLY 370.A O no hydrogen 2.937 N/A ARG 383.A NH2 ASP 334.A OD1 no hydrogen 3.554 N/A ARG 383.A NH2 ASP 334.A OD2 no hydrogen 2.943 N/A ARG 383.A NH2 GLY 370.A O no hydrogen 2.730 N/A VAL 384.A N ASP 380.A O no hydrogen 2.949 N/A LYS 385.A N ASN 381.A O no hydrogen 2.949 N/A LYS 385.A NZ GLU 32.A OE1 no hydrogen 3.508 N/A LYS 385.A NZ GLU 32.A OE2 no hydrogen 2.871 N/A ARG 386.A N PHE 382.A O no hydrogen 2.918 N/A ARG 386.A NE HIS 511.A O no hydrogen 2.847 N/A ARG 386.A NH1 ASP 334.A O no hydrogen 2.748 N/A ARG 386.A NH2 GLU 374.A OE2 no hydrogen 3.322 N/A ARG 386.A NH2 HIS 511.A O no hydrogen 3.288 N/A TYR 387.A N ARG 383.A O no hydrogen 3.017 N/A TYR 387.A OH ASP 334.A OD1 no hydrogen 2.677 N/A ILE 388.A N VAL 384.A O no hydrogen 2.880 N/A ALA 389.A N LYS 385.A O no hydrogen 3.290 N/A LYS 390.A N TYR 387.A O no hydrogen 3.130 N/A LYS 390.A NZ HIS 333.A O no hydrogen 2.998 N/A LYS 390.A NZ ASN 512.A OD1 no hydrogen 2.550 N/A TYR 391.A N ILE 388.A O no hydrogen 3.287 N/A THR 392.A N ALA 389.A O no hydrogen 3.473 N/A THR 392.A OG1 ILE 388.A O no hydrogen 2.601 N/A ASN 394.A N ALA 389.A O no hydrogen 3.096 N/A ASN 394.A ND2 SER 339.A O no hydrogen 3.166 N/A ASN 394.A ND2 VAL 510.A O no hydrogen 3.257 N/A ALA 396.A N THR 392.A O no hydrogen 3.341 N/A LEU 397.A N ILE 393.A O no hydrogen 2.846 N/A THR 398.A N ASN 394.A O no hydrogen 2.974 N/A THR 398.A OG1 ASN 394.A O no hydrogen 2.867 N/A HIS 399.A N PRO 395.A O no hydrogen 3.222 N/A HIS 399.A NE2 HIS 268.A ND1 no hydrogen 3.253 N/A GLY 400.A N LEU 397.A O no hydrogen 3.242 N/A ILE 401.A N ALA 396.A O no hydrogen 2.931 N/A GLU 404.A N ILE 401.A O no hydrogen 2.943 N/A VAL 405.A N ILE 401.A O no hydrogen 3.135 N/A SER 407.A OG GLU 409.A OE2 no hydrogen 2.694 N/A ILE 408.A N ASP 76.A OD2 no hydrogen 2.842 N/A GLY 411.A N ILE 92.A O no hydrogen 2.850 N/A LYS 412.A N GLU 409.A O no hydrogen 3.205 N/A LYS 412.A NZ ALA 402.A O no hydrogen 2.983 N/A LYS 412.A NZ VAL 405.A O no hydrogen 3.110 N/A LYS 412.A NZ SER 407.A OG no hydrogen 2.742 N/A LEU 413.A N GLU 404.A O no hydrogen 2.822 N/A ALA 414.A N GLY 90.A O no hydrogen 2.835 N/A ASP 415.A N LEU 413.A O no hydrogen 2.885 N/A LEU 416.A N ILE 432.A O no hydrogen 2.966 N/A VAL 417.A N THR 126.A O no hydrogen 2.853 N/A VAL 418.A N THR 430.A O no hydrogen 2.863 N/A TRP 419.A N ILE 124.A O no hydrogen 2.769 N/A TRP 419.A NE1 THR 126.A OG1 no hydrogen 2.840 N/A PHE 423.A N SER 420.A O no hydrogen 2.923 N/A VAL 426.A N PHE 423.A O no hydrogen 2.956 N/A LYS 427.A N PHE 423.A O no hydrogen 3.127 N/A LYS 427.A NZ TYR 548.A O no hydrogen 2.848 N/A ALA 429.A N VAL 418.A O no hydrogen 2.783 N/A THR 430.A N VAL 418.A O no hydrogen 3.263 N/A VAL 431.A N ILE 439.A O no hydrogen 3.158 N/A ILE 432.A N LEU 416.A O no hydrogen 2.769 N/A LYS 433.A N MET 436.A O no hydrogen 2.669 N/A LYS 433.A NZ ASN 189.A OD1 no hydrogen 3.091 N/A LYS 433.A NZ ASP 415.A OD1 no hydrogen 2.749 N/A LYS 433.A NZ ASP 415.A OD2 no hydrogen 3.359 N/A LYS 433.A NZ CYS 471.A O no hydrogen 2.814 N/A GLY 434.A N ASP 415.A OD1 no hydrogen 2.991 N/A GLY 435.A N ALA 414.A O no hydrogen 3.329 N/A MET 436.A N LYS 433.A O no hydrogen 3.010 N/A ALA 438.A N VAL 431.A O no hydrogen 2.913 N/A ALA 440.A N ARG 458.A O no hydrogen 3.492 N/A MET 442.A N HIS 456.A O no hydrogen 2.917 N/A GLY 443.A N PRO 450.A O no hydrogen 3.021 N/A ASP 444.A N PRO 452.A O no hydrogen 2.905 N/A ASN 446.A N ASP 444.A OD1 no hydrogen 3.108 N/A ALA 447.A N ASP 444.A O no hydrogen 3.094 N/A HIS 456.A N MET 442.A O no hydrogen 3.190 N/A TYR 457.A OH PRO 428.A O no hydrogen 2.683 N/A ARG 458.A N ALA 440.A O no hydrogen 3.159 N/A ARG 458.A NE MET 442.A O no hydrogen 3.021 N/A ARG 458.A NH2 MET 442.A O no hydrogen 3.075 N/A MET 460.A N ALA 438.A O no hydrogen 2.801 N/A GLY 462.A N ILE 437.A O no hydrogen 3.012 N/A ALA 463.A N MET 460.A O no hydrogen 2.860 N/A LEU 464.A N PHE 461.A O no hydrogen 2.934 N/A ARG 468.A N LEU 464.A O no hydrogen 2.856 N/A ARG 468.A NE ALA 463.A O no hydrogen 3.350 N/A ARG 468.A NH1 ASP 184.A O no hydrogen 2.665 N/A HIS 469.A N GLY 465.A O no hydrogen 3.307 N/A HIS 470.A N SER 466.A O no hydrogen 3.147 N/A CYS 471.A N ARG 468.A O no hydrogen 2.961 N/A CYS 471.A SG GLY 434.A O no hydrogen 3.804 N/A CYS 471.A SG ALA 467.A O no hydrogen 3.434 N/A ARG 472.A NE LEU 186.A O no hydrogen 2.801 N/A ARG 472.A NE VAL 188.A O no hydrogen 3.105 N/A ARG 472.A NH1 THR 474.A OG1 no hydrogen 2.807 N/A ARG 472.A NH1 SER 493.A OG no hydrogen 2.989 N/A ARG 472.A NH2 VAL 188.A O no hydrogen 2.976 N/A LEU 473.A N ASN 189.A OD1 no hydrogen 3.019 N/A THR 474.A N ALA 494.A O no hydrogen 2.913 N/A PHE 475.A N ILE 190.A O no hydrogen 2.862 N/A LEU 476.A N ALA 496.A O no hydrogen 2.806 N/A SER 477.A OG VAL 208.A O no hydrogen 2.622 N/A GLN 478.A NE2 ASP 239.A OD2 no hydrogen 2.790 N/A GLN 478.A NE2 VAL 498.A O no hydrogen 2.966 N/A ALA 480.A N SER 477.A OG no hydrogen 3.205 N/A ALA 481.A N SER 477.A O no hydrogen 2.991 N/A ALA 482.A N GLN 478.A O no hydrogen 3.047 N/A ASN 483.A N ALA 479.A O no hydrogen 2.879 N/A GLY 484.A N ALA 481.A O no hydrogen 3.221 N/A VAL 485.A N ALA 480.A O no hydrogen 3.107 N/A ARG 488.A N GLY 484.A O no hydrogen 2.976 N/A LEU 489.A N VAL 485.A O no hydrogen 2.917 N/A ASN 490.A N GLU 487.A O no hydrogen 3.292 N/A LEU 491.A N ALA 486.A O no hydrogen 2.838 N/A ARG 492.A N ASP 184.A OD2 no hydrogen 2.934 N/A SER 493.A N ASP 184.A OD1 no hydrogen 3.071 N/A SER 493.A OG ASP 184.A OD1 no hydrogen 2.583 N/A ALA 494.A N HIS 469.A O no hydrogen 3.387 N/A ALA 496.A N THR 474.A O no hydrogen 3.098 N/A VAL 498.A N LEU 476.A O no hydrogen 3.154 N/A LYS 499.A N GLY 400.A O no hydrogen 3.155 N/A GLY 500.A N ASP 239.A OD2 no hydrogen 3.105 N/A CYS 501.A N ASP 239.A OD1 no hydrogen 3.027 N/A CYS 501.A SG ASP 239.A O no hydrogen 3.778 N/A CYS 501.A SG HIS 399.A O no hydrogen 3.484 N/A ARG 502.A NH1 ASP 236.A OD1 no hydrogen 2.927 N/A ARG 502.A NH1 THR 266.A O no hydrogen 3.480 N/A ARG 502.A NH2 THR 266.A O no hydrogen 2.802 N/A GLN 505.A N ASP 508.A OD2 no hydrogen 3.088 N/A LYS 506.A N PRO 290.A O no hydrogen 2.821 N/A LYS 506.A NZ ALA 337.A O no hydrogen 2.835 N/A LYS 506.A NZ LEU 514.A O no hydrogen 2.654 N/A ASP 508.A N GLN 505.A O no hydrogen 2.852 N/A MET 509.A N LYS 506.A O no hydrogen 3.124 N/A VAL 510.A N ASN 394.A OD1 no hydrogen 2.811 N/A HIS 511.A NE2 HIS 77.A O no hydrogen 2.942 N/A ASN 512.A N MET 509.A O no hydrogen 3.149 N/A ASN 512.A ND2 ARG 386.A O no hydrogen 3.003 N/A ASN 512.A ND2 VAL 510.A O no hydrogen 2.873 N/A LEU 514.A N GLY 336.A O no hydrogen 3.067 N/A GLN 515.A NE2 ALA 288.A O no hydrogen 3.307 N/A ILE 518.A N PRO 516.A O no hydrogen 2.912 N/A THR 519.A N ARG 528.A O no hydrogen 2.765 N/A THR 519.A OG1 ARG 528.A O no hydrogen 3.397 N/A ASP 521.A N GLU 526.A O no hydrogen 2.912 N/A GLN 523.A N ASP 521.A OD1 no hydrogen 3.068 N/A THR 524.A N ASP 521.A OD1 no hydrogen 2.989 N/A THR 524.A OG1 GLU 526.A OE1 no hydrogen 3.552 N/A TYR 525.A N ASP 521.A O no hydrogen 2.667 N/A ARG 528.A N THR 519.A O no hydrogen 2.871 N/A ARG 528.A NH1 GLY 531.A O no hydrogen 2.886 N/A VAL 529.A N GLU 532.A O no hydrogen 2.883 N/A ASP 530.A N ASN 517.A O no hydrogen 2.922 N/A GLU 532.A N VAL 529.A O no hydrogen 3.019 N/A ILE 534.A N VAL 527.A O no hydrogen 3.051 N/A SER 536.A OG ALA 327.A O no hydrogen 2.986 N/A GLU 537.A N GLN 368.A OE1 no hydrogen 2.836 N/A ALA 539.A N TYR 303.A O no hydrogen 2.969 N/A MET 544.A N ASP 24.A OD1 no hydrogen 2.964 N/A MET 544.A N ASP 24.A OD2 no hydrogen 3.447 N/A ARG 547.A NH1 ASP 24.A OD2 no hydrogen 2.821 N/A TYR 548.A N ALA 545.A O no hydrogen 3.057 N/A TYR 548.A OH ALA 422.A O no hydrogen 2.730 N/A PHE 549.A N ALA 545.A O no hydrogen 3.413 N/A