Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3au2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A ND2 LEU 40.A O no hydrogen 3.035 N/A ASN 3.A ND2 THR 42.A O no hydrogen 2.923 N/A GLN 4.A NE2 TYR 38.A O no hydrogen 3.131 N/A LEU 6.A N ARG 2.A O no hydrogen 2.923 N/A ALA 7.A N ASN 3.A O no hydrogen 2.896 N/A ARG 8.A N GLN 4.A O no hydrogen 3.004 N/A ARG 8.A NH1 GLU 97.A OE2 no hydrogen 2.937 N/A ARG 8.A NH2 GLU 97.A OE1 no hydrogen 2.339 N/A ARG 8.A NH2 GLU 97.A OE2 no hydrogen 3.414 N/A ILE 9.A N GLU 5.A O no hydrogen 3.090 N/A PHE 10.A N LEU 6.A O no hydrogen 3.036 N/A GLU 11.A N ALA 7.A O no hydrogen 2.976 N/A GLU 12.A N ARG 8.A O no hydrogen 2.858 N/A ILE 13.A N ILE 9.A O no hydrogen 2.907 N/A GLY 14.A N PHE 10.A O no hydrogen 2.915 N/A LEU 15.A N GLU 11.A O no hydrogen 2.923 N/A MET 16.A N GLU 12.A O no hydrogen 2.891 N/A SER 17.A N ILE 13.A O no hydrogen 2.798 N/A SER 17.A OG ILE 13.A O no hydrogen 2.752 N/A GLU 18.A N GLY 14.A O no hydrogen 3.042 N/A PHE 19.A N LEU 15.A O no hydrogen 2.990 N/A LEU 20.A N MET 16.A O no hydrogen 2.933 N/A GLY 21.A N GLU 18.A O no hydrogen 2.996 N/A ASP 22.A N SER 17.A O no hydrogen 2.850 N/A ASN 23.A N ASP 22.A OD2 no hydrogen 2.765 N/A VAL 27.A N ASN 23.A O no hydrogen 3.056 N/A ARG 28.A N PRO 24.A O no hydrogen 2.939 N/A ALA 29.A N PHE 25.A O no hydrogen 3.050 N/A TYR 30.A N ARG 26.A O no hydrogen 3.059 N/A HIS 31.A N VAL 27.A O no hydrogen 3.278 N/A GLN 32.A N ARG 28.A O no hydrogen 2.944 N/A ALA 33.A N ALA 29.A O no hydrogen 2.898 N/A ALA 34.A N TYR 30.A O no hydrogen 2.941 N/A ARG 35.A N HIS 31.A O no hydrogen 3.018 N/A ARG 35.A NH1 LYS 227.A O no hydrogen 2.715 N/A ARG 35.A NH2 LYS 227.A O no hydrogen 3.445 N/A THR 36.A N GLN 32.A O no hydrogen 2.990 N/A THR 36.A OG1 GLN 32.A O no hydrogen 3.113 N/A THR 36.A OG1 PRO 59.A O no hydrogen 2.629 N/A LEU 37.A N ALA 33.A O no hydrogen 3.023 N/A TYR 38.A N ALA 34.A O no hydrogen 2.874 N/A ASP 39.A N ARG 35.A O no hydrogen 2.889 N/A LEU 40.A N LEU 37.A O no hydrogen 3.338 N/A ILE 44.A N ASN 3.A OD1 no hydrogen 2.856 N/A GLU 46.A N PRO 43.A O no hydrogen 3.026 N/A ILE 47.A N ILE 44.A O no hydrogen 3.113 N/A ALA 48.A N ILE 44.A O no hydrogen 2.985 N/A GLU 49.A N GLU 45.A O no hydrogen 2.998 N/A LYS 50.A N ILE 47.A O no hydrogen 3.107 N/A GLY 51.A N ALA 48.A O no hydrogen 3.082 N/A LYS 52.A NZ GLU 67.A OE2 no hydrogen 3.502 N/A LEU 55.A N GLY 51.A O no hydrogen 3.237 N/A MET 56.A N LYS 52.A O no hydrogen 3.161 N/A GLU 57.A N ALA 54.A O no hydrogen 3.066 N/A VAL 61.A N LEU 58.A O no hydrogen 3.284 N/A ALA 66.A N GLY 62.A O no hydrogen 2.906 N/A GLU 67.A N PRO 63.A O no hydrogen 3.229 N/A LYS 68.A N ASP 64.A O no hydrogen 3.317 N/A LYS 68.A NZ TYR 30.A OH no hydrogen 3.488 N/A ILE 69.A N LEU 65.A O no hydrogen 2.955 N/A LEU 70.A N ALA 66.A O no hydrogen 3.079 N/A GLU 71.A N GLU 67.A O no hydrogen 2.812 N/A PHE 72.A N LYS 68.A O no hydrogen 2.898 N/A LEU 73.A N ILE 69.A O no hydrogen 3.011 N/A ARG 74.A N LEU 70.A O no hydrogen 2.925 N/A THR 75.A N GLU 71.A O no hydrogen 2.916 N/A THR 75.A OG1 GLU 71.A O no hydrogen 2.811 N/A GLY 76.A N PHE 72.A O no hydrogen 2.759 N/A LYS 77.A N THR 75.A OG1 no hydrogen 3.207 N/A ARG 79.A N GLU 71.A OE2 no hydrogen 2.936 N/A HIS 81.A NE2 GLU 12.A OE2 no hydrogen 3.099 N/A GLU 82.A N VAL 78.A O no hydrogen 3.223 N/A GLU 83.A N ARG 79.A O no hydrogen 2.735 N/A LEU 84.A N LYS 80.A O no hydrogen 2.937 N/A SER 85.A N HIS 81.A O no hydrogen 2.933 N/A SER 85.A OG HIS 81.A O no hydrogen 2.671 N/A ARG 86.A N GLU 82.A O no hydrogen 3.260 N/A LYS 87.A N LEU 84.A O no hydrogen 2.917 N/A VAL 88.A N LEU 84.A O no hydrogen 2.760 N/A LEU 93.A N PRO 89.A O no hydrogen 3.129 N/A GLU 94.A N ARG 90.A O no hydrogen 3.036 N/A VAL 95.A N GLY 91.A O no hydrogen 3.049 N/A MET 96.A N VAL 92.A O no hydrogen 3.022 N/A GLU 97.A N LEU 93.A O no hydrogen 3.233 N/A VAL 98.A N VAL 95.A O no hydrogen 3.101 N/A VAL 101.A N VAL 98.A O no hydrogen 2.930 N/A GLY 102.A N MET 96.A O no hydrogen 2.910 N/A THR 105.A OG1 VAL 101.A O no hydrogen 3.316 N/A ALA 106.A N GLY 102.A O no hydrogen 2.950 N/A ARG 107.A N PRO 103.A O no hydrogen 2.936 N/A ARG 107.A NE GLU 111.A OE2.B no hydrogen 3.003 N/A ARG 107.A NH1 PHE 19.A O no hydrogen 3.243 N/A ARG 107.A NH2 GLU 111.A OE2.B no hydrogen 2.875 N/A LEU 108.A N LYS 104.A O no hydrogen 3.230 N/A LEU 109.A N THR 105.A O no hydrogen 2.799 N/A TYR 110.A N ALA 106.A O no hydrogen 2.800 N/A GLU 111.A N ARG 107.A O no hydrogen 2.871 N/A GLY 112.A N LEU 108.A O no hydrogen 2.750 N/A LEU 113.A N LEU 109.A O no hydrogen 3.205 N/A GLY 114.A N TYR 110.A O no hydrogen 3.314 N/A ILE 115.A N LEU 109.A O no hydrogen 2.959 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.765 N/A LYS 120.A N SER 117.A OG no hydrogen 3.099 N/A LYS 120.A NZ LEU 113.A O no hydrogen 2.620 N/A LEU 121.A N SER 117.A O no hydrogen 3.049 N/A LYS 122.A N LEU 118.A O no hydrogen 2.771 N/A ALA 123.A N GLU 119.A O no hydrogen 2.940 N/A ALA 124.A N LYS 120.A O no hydrogen 2.852 N/A LEU 125.A N LEU 121.A O no hydrogen 2.871 N/A ASP 126.A N LYS 122.A O no hydrogen 2.899 N/A ARG 127.A N ALA 123.A O no hydrogen 3.109 N/A ARG 127.A NE ASP 129.A OD1 no hydrogen 2.930 N/A ARG 127.A NE ASP 129.A OD2 no hydrogen 3.269 N/A ARG 127.A NH1 ASP 129.A OD2 no hydrogen 2.825 N/A GLY 128.A N LEU 125.A O no hydrogen 3.219 N/A ASP 129.A N ALA 124.A O no hydrogen 3.018 N/A THR 131.A N GLY 128.A O no hydrogen 3.119 N/A THR 131.A OG1 GLY 128.A O no hydrogen 2.564 N/A ARG 132.A N ASP 129.A O no hydrogen 3.380 N/A LEU 133.A N LEU 130.A O no hydrogen 3.064 N/A ARG 140.A NE GLY 100.A O no hydrogen 2.737 N/A ARG 140.A NH1 GLY 135.A O no hydrogen 3.242 N/A ARG 140.A NH2 GLY 100.A O no hydrogen 2.898 N/A ARG 140.A NH2 VAL 101.A O no hydrogen 3.334 N/A ARG 140.A NH2 THR 105.A OG1 no hydrogen 2.821 N/A ALA 141.A N GLY 137.A O no hydrogen 2.933 N/A GLU 142.A N PRO 138.A O no hydrogen 2.960 N/A ARG 143.A N LYS 139.A O no hydrogen 3.110 N/A ARG 143.A NE GLU 223.A OE1 no hydrogen 2.839 N/A ARG 143.A NH2 GLU 223.A OE2 no hydrogen 3.078 N/A ILE 144.A N ARG 140.A O no hydrogen 2.972 N/A ARG 145.A N ALA 141.A O no hydrogen 2.968 N/A ARG 145.A NE ASP 126.A OD1 no hydrogen 3.243 N/A ARG 145.A NH2 ASP 126.A OD1 no hydrogen 3.038 N/A GLU 146.A N GLU 142.A O no hydrogen 3.068 N/A GLY 147.A N ARG 143.A O no hydrogen 2.816 N/A LEU 148.A N ILE 144.A O no hydrogen 2.899 N/A ALA 149.A N ARG 145.A O no hydrogen 3.171 N/A LEU 150.A N GLU 146.A O no hydrogen 3.016 N/A ALA 151.A N GLY 147.A O no hydrogen 2.945 N/A GLN 152.A N LEU 148.A O no hydrogen 2.957 N/A ALA 153.A N ALA 149.A O no hydrogen 3.067 N/A ALA 154.A N ALA 151.A O no hydrogen 3.268 N/A LYS 156.A N ALA 153.A O no hydrogen 3.049 N/A ARG 157.A NE THR 195.A OG1 no hydrogen 2.945 N/A ARG 157.A NH2 THR 195.A O no hydrogen 2.907 N/A ARG 158.A N VAL 196.A O no hydrogen 3.081 N/A LEU 160.A N ASP 194.A O no hydrogen 2.919 N/A ALA 162.A N PRO 159.A O no hydrogen 2.911 N/A VAL 163.A N LEU 160.A O no hydrogen 3.030 N/A LEU 164.A N LEU 160.A O no hydrogen 2.843 N/A ALA 167.A N VAL 163.A O no hydrogen 2.838 N/A ARG 168.A N LEU 164.A O no hydrogen 2.914 N/A ARG 168.A NH1 GLU 540.A OE1 no hydrogen 2.910 N/A ARG 168.A NH2 GLU 540.A OE2 no hydrogen 2.427 N/A SER 169.A N SER 165.A O no hydrogen 2.970 N/A SER 169.A OG.A SER 165.A O no hydrogen 3.299 N/A LEU 170.A N LEU 166.A O no hydrogen 3.122 N/A LEU 171.A N ALA 167.A O no hydrogen 2.855 N/A GLU 172.A N ARG 168.A O no hydrogen 3.029 N/A ALA 173.A N SER 169.A O no hydrogen 3.333 N/A ILE 174.A N LEU 170.A O no hydrogen 2.859 N/A ARG 175.A N LEU 171.A O no hydrogen 2.876 N/A ARG 175.A NE ALA 183.A O no hydrogen 3.040 N/A ARG 175.A NH2 ALA 183.A O no hydrogen 2.901 N/A ALA 176.A N GLU 172.A O no hydrogen 3.070 N/A LEU 177.A N ILE 174.A O no hydrogen 3.042 N/A VAL 180.A N LEU 177.A O no hydrogen 3.114 N/A GLU 181.A N ALA 204.A O no hydrogen 2.867 N/A GLU 184.A N LEU 202.A O no hydrogen 2.985 N/A LEU 185.A N GLU 184.A OE2 no hydrogen 2.892 N/A CYS 186.A N ASP 200.A O no hydrogen 2.765 N/A CYS 186.A SG GLU 184.A O no hydrogen 3.767 N/A CYS 186.A SG THR 260.A OG1 no hydrogen 3.689 N/A GLY 187.A N LEU 259.A O no hydrogen 2.789 N/A ARG 190.A N CYS 186.A O no hydrogen 3.277 N/A ARG 190.A N GLY 187.A O no hydrogen 3.151 N/A ARG 190.A NH1 THR 260.A OG1 no hydrogen 2.861 N/A ARG 190.A NH1 GLU 297.A OE1 no hydrogen 2.956 N/A ARG 190.A NH1 GLU 297.A OE2 no hydrogen 3.478 N/A ARG 190.A NH2 GLU 297.A OE2 no hydrogen 2.952 N/A ARG 191.A NE GLU 315.A OE2 no hydrogen 2.786 N/A ARG 191.A NH1 THR 260.A O no hydrogen 2.801 N/A ARG 191.A NH2 GLU 315.A OE2 no hydrogen 3.242 N/A TYR 192.A N ALA 189.A O no hydrogen 2.985 N/A TYR 192.A OH GLU 540.A OE2 no hydrogen 2.319 N/A LYS 193.A N SER 188.A O no hydrogen 3.210 N/A VAL 196.A N ARG 158.A O no hydrogen 2.874 N/A LEU 199.A N GLN 241.A O no hydrogen 2.996 N/A PHE 201.A N ASP 243.A O no hydrogen 2.834 N/A LEU 202.A N GLU 184.A O no hydrogen 2.991 N/A VAL 203.A N ARG 245.A O no hydrogen 2.903 N/A ALA 204.A N ARG 182.A O no hydrogen 2.837 N/A SER 205.A N VAL 247.A O no hydrogen 3.010 N/A SER 205.A OG GLY 179.A O no hydrogen 2.854 N/A ARG 206.A NH1 GLU 250.A OE1 no hydrogen 3.333 N/A ARG 206.A NH1 GLU 250.A OE2 no hydrogen 2.723 N/A ARG 206.A NH2 GLU 250.A OE2 no hydrogen 3.123 N/A GLU 207.A N SER 205.A OG no hydrogen 2.946 N/A ALA 211.A N GLU 207.A O no hydrogen 2.942 N/A VAL 212.A N GLY 208.A O no hydrogen 2.876 N/A GLU 213.A N GLU 209.A O no hydrogen 3.049 N/A GLY 214.A N ARG 210.A O no hydrogen 2.989 N/A PHE 215.A N ALA 211.A O no hydrogen 2.895 N/A VAL 216.A N VAL 212.A O no hydrogen 2.943 N/A ARG 217.A N GLU 213.A O no hydrogen 3.280 N/A ARG 217.A N GLY 214.A O no hydrogen 3.282 N/A LEU 218.A N PHE 215.A O no hydrogen 3.089 N/A GLN 220.A N GLN 220.A OE1 no hydrogen 3.009 N/A VAL 221.A N LEU 218.A O no hydrogen 3.002 N/A LYS 222.A N PHE 235.A O no hydrogen 2.855 N/A GLU 223.A N PHE 235.A O no hydrogen 3.106 N/A TYR 225.A N THR 233.A O no hydrogen 2.832 N/A ALA 226.A N THR 233.A O no hydrogen 3.158 N/A LYS 227.A NZ GLU 213.A OE2 no hydrogen 3.079 N/A GLY 228.A N ARG 231.A O no hydrogen 2.862 N/A LYS 229.A N ASP 39.A OD1 no hydrogen 2.980 N/A ARG 231.A NE TYR 38.A O no hydrogen 2.795 N/A ARG 231.A NH1 ASP 41.A OD1 no hydrogen 3.416 N/A ARG 231.A NH2 TYR 38.A O no hydrogen 2.692 N/A ARG 231.A NH2 ASP 41.A OD1 no hydrogen 2.997 N/A ALA 232.A N LEU 244.A O no hydrogen 3.111 N/A THR 233.A N ALA 226.A O no hydrogen 2.842 N/A THR 233.A OG1 ASP 243.A OD1 no hydrogen 2.749 N/A VAL 234.A N VAL 242.A O no hydrogen 2.867 N/A PHE 235.A N GLU 223.A O no hydrogen 2.866 N/A LEU 236.A N LEU 240.A O no hydrogen 2.892 N/A LYS 237.A N GLN 220.A O no hydrogen 2.750 N/A LYS 237.A NZ PRO 219.A O no hydrogen 3.105 N/A GLY 239.A N LEU 236.A O no hydrogen 2.868 N/A LEU 240.A N ASN 238.A OD1 no hydrogen 3.053 N/A VAL 242.A N VAL 234.A O no hydrogen 2.877 N/A ASP 243.A N LEU 199.A O no hydrogen 2.798 N/A LEU 244.A N ALA 232.A O no hydrogen 2.825 N/A ARG 245.A N PHE 201.A O no hydrogen 2.903 N/A ARG 245.A NE GLU 282.A OE2 no hydrogen 2.780 N/A ARG 245.A NH2 GLU 282.A OE1 no hydrogen 2.797 N/A ARG 245.A NH2 GLU 282.A OE2 no hydrogen 3.545 N/A VAL 246.A N GLU 230.A O no hydrogen 2.853 N/A VAL 247.A N VAL 203.A O no hydrogen 2.885 N/A GLU 250.A N GLU 250.A OE1 no hydrogen 2.798 N/A SER 251.A N PRO 248.A O no hydrogen 2.858 N/A SER 251.A OG TYR 283.A O no hydrogen 2.642 N/A TYR 252.A N PRO 249.A O no hydrogen 3.273 N/A GLY 253.A N GLU 295.A O no hydrogen 3.201 N/A ALA 254.A N GLY 294.A O no hydrogen 3.145 N/A GLY 255.A N SER 251.A O no hydrogen 2.842 N/A LEU 256.A N TYR 252.A O no hydrogen 2.839 N/A GLN 257.A N GLY 253.A O no hydrogen 3.098 N/A GLN 257.A NE2 SER 266.A OG no hydrogen 2.864 N/A TYR 258.A N ALA 254.A O no hydrogen 2.952 N/A LEU 259.A N GLY 255.A O no hydrogen 2.895 N/A THR 260.A N LEU 256.A O no hydrogen 2.964 N/A THR 260.A N GLN 257.A O no hydrogen 3.278 N/A THR 260.A OG1 LEU 256.A O no hydrogen 2.721 N/A GLY 261.A N GLN 257.A O no hydrogen 3.140 N/A SER 262.A N ARG 314.A O no hydrogen 2.983 N/A SER 262.A OG ARG 314.A O no hydrogen 3.114 N/A HIS 265.A N SER 262.A OG no hydrogen 3.163 N/A HIS 265.A ND1 GLU 319.A OE2 no hydrogen 2.782 N/A HIS 265.A NE2 TYR 301.A OH no hydrogen 2.806 N/A SER 266.A N SER 262.A O no hydrogen 2.982 N/A SER 266.A OG SER 262.A O no hydrogen 3.415 N/A ILE 267.A N LYS 263.A O no hydrogen 2.945 N/A ARG 268.A N ALA 264.A O no hydrogen 3.273 N/A ARG 268.A NH1 ASP 316.A OD1 no hydrogen 2.827 N/A ARG 268.A NH1 GLU 321.A OE2 no hydrogen 2.857 N/A ARG 268.A NH2 GLU 321.A OE2 no hydrogen 3.165 N/A LEU 269.A N HIS 265.A O no hydrogen 3.086 N/A ARG 270.A N SER 266.A O no hydrogen 2.924 N/A ALA 271.A N ILE 267.A O no hydrogen 3.212 N/A LEU 272.A N ARG 268.A O no hydrogen 3.053 N/A ALA 273.A N LEU 269.A O no hydrogen 2.945 N/A GLN 274.A N ARG 270.A O no hydrogen 3.108 N/A GLU 275.A N ALA 271.A O no hydrogen 2.970 N/A LYS 276.A N ALA 273.A O no hydrogen 3.015 N/A LYS 276.A NZ ALA 303.A O no hydrogen 3.228 N/A GLY 277.A N GLN 274.A O no hydrogen 3.050 N/A LEU 278.A N ALA 273.A O no hydrogen 2.846 N/A LYS 279.A N PHE 286.A O no hydrogen 2.836 N/A SER 281.A N GLY 284.A O no hydrogen 2.936 N/A TYR 283.A N SER 281.A OG no hydrogen 3.045 N/A GLY 284.A N SER 281.A O no hydrogen 3.357 N/A VAL 285.A N ALA 293.A O no hydrogen 2.900 N/A PHE 286.A N LYS 279.A O no hydrogen 2.842 N/A ARG 287.A N LYS 290.A O no hydrogen 2.836 N/A ARG 287.A NH1 LYS 276.A O no hydrogen 2.874 N/A LYS 290.A N ARG 287.A O no hydrogen 3.069 N/A ILE 292.A N VAL 285.A O no hydrogen 2.785 N/A ALA 293.A N VAL 285.A O no hydrogen 3.284 N/A GLY 294.A N GLU 299.A OE1 no hydrogen 2.795 N/A GLU 295.A N GLU 299.A OE1 no hydrogen 2.937 N/A GLU 299.A N THR 296.A OG1 no hydrogen 3.117 N/A VAL 300.A N THR 296.A O no hydrogen 3.150 N/A TYR 301.A N GLU 297.A O no hydrogen 3.002 N/A TYR 301.A OH HIS 265.A NE2 no hydrogen 2.806 N/A ALA 302.A N GLU 298.A O no hydrogen 2.879 N/A ALA 303.A N GLU 299.A O no hydrogen 2.962 N/A LEU 304.A N VAL 300.A O no hydrogen 3.346 N/A LEU 304.A N TYR 301.A O no hydrogen 3.011 N/A GLY 305.A N ALA 302.A O no hydrogen 2.860 N/A LEU 306.A N TYR 301.A O no hydrogen 2.936 N/A TRP 308.A NE1 GLU 297.A OE2 no hydrogen 2.853 N/A LEU 313.A N PRO 310.A O no hydrogen 2.992 N/A ARG 314.A N PRO 311.A O no hydrogen 2.955 N/A ARG 314.A NE ILE 309.A O no hydrogen 2.795 N/A ARG 314.A NH1 GLU 297.A OE1 no hydrogen 2.874 N/A ARG 314.A NH2 GLU 297.A OE2 no hydrogen 3.043 N/A ARG 314.A NH2 ILE 309.A O no hydrogen 2.807 N/A GLU 315.A N LEU 313.A O no hydrogen 2.812 N/A ASP 316.A N GLU 319.A OE2 no hydrogen 2.754 N/A GLN 317.A N GLU 319.A OE1 no hydrogen 2.819 N/A GLU 319.A N GLU 319.A OE1 no hydrogen 2.764 N/A GLU 321.A N GLU 321.A OE1 no hydrogen 2.782 N/A ALA 322.A N GLY 318.A O no hydrogen 3.026 N/A ALA 323.A N GLU 319.A O no hydrogen 2.898 N/A LEU 324.A N VAL 320.A O no hydrogen 2.920 N/A GLU 325.A N GLU 321.A O no hydrogen 3.143 N/A GLU 325.A N ALA 322.A O no hydrogen 3.196 N/A GLY 326.A N ALA 323.A O no hydrogen 3.070 N/A ARG 327.A N ALA 322.A O no hydrogen 2.914 N/A ARG 327.A NE GLU 325.A OE2 no hydrogen 2.910 N/A LEU 332.A N ILE 551.A O no hydrogen 2.889 N/A GLU 333.A N GLN 336.A OE1 no hydrogen 2.883 N/A GLN 336.A N GLU 333.A O no hydrogen 2.927 N/A VAL 337.A N LEU 334.A O no hydrogen 3.059 N/A LYS 338.A N ASN 558.A O no hydrogen 2.796 N/A LYS 338.A NZ GLN 336.A O no hydrogen 3.177 N/A LYS 338.A NZ THR 559.A O no hydrogen 2.989 N/A LEU 341.A N LEU 526.A O no hydrogen 3.219 N/A GLN 342.A N ASP 340.A OD1 no hydrogen 3.236 N/A GLN 342.A NE2 GLU 499.A OE2 no hydrogen 2.803 N/A VAL 343.A N ALA 370.A O no hydrogen 3.040 N/A HIS 344.A N ALA 530.A O no hydrogen 2.829 N/A HIS 344.A NE2 GLN 342.A OE1 no hydrogen 3.057 N/A SER 345.A N ASP 373.A OD1 no hydrogen 2.856 N/A SER 345.A OG ASP 373.A OD1 no hydrogen 3.528 N/A SER 345.A OG ASP 373.A OD2 no hydrogen 2.690 N/A THR 346.A N ASN 352.A O no hydrogen 2.919 N/A THR 346.A OG1 ASN 352.A O no hydrogen 3.499 N/A TYR 347.A N SER 345.A OG no hydrogen 3.023 N/A TYR 347.A OH GLU 395.A OE1 no hydrogen 2.583 N/A SER 348.A N SER 345.A O no hydrogen 3.018 N/A SER 348.A OG ASP 349.A OD1 no hydrogen 3.325 N/A SER 348.A OG ASP 373.A OD1 no hydrogen 2.568 N/A ASP 349.A N SER 348.A OG no hydrogen 2.664 N/A GLY 350.A N SER 345.A O no hydrogen 2.841 N/A GLN 351.A N HIS 531.A O no hydrogen 2.923 N/A THR 353.A N GLU 356.A OE1 no hydrogen 3.284 N/A GLU 356.A N THR 353.A OG1 no hydrogen 3.136 N/A LEU 357.A N THR 353.A O no hydrogen 3.022 N/A TRP 358.A N LEU 354.A O no hydrogen 2.875 N/A TRP 358.A NE1 GLY 404.A O no hydrogen 2.975 N/A GLU 359.A N GLU 355.A O no hydrogen 2.935 N/A ALA 360.A N GLU 356.A O no hydrogen 3.053 N/A ALA 361.A N LEU 357.A O no hydrogen 2.931 N/A LYS 362.A N TRP 358.A O no hydrogen 2.890 N/A THR 363.A N GLU 359.A O no hydrogen 3.032 N/A THR 363.A OG1 ALA 360.A O no hydrogen 2.680 N/A MET 364.A N ALA 360.A O no hydrogen 3.086 N/A GLY 365.A N LYS 362.A O no hydrogen 3.050 N/A TYR 366.A N ALA 361.A O no hydrogen 3.101 N/A ARG 367.A N LYS 338.A O no hydrogen 2.693 N/A TYR 368.A N LYS 338.A O no hydrogen 3.318 N/A TYR 368.A OH LEU 560.A O no hydrogen 2.730 N/A LEU 369.A N TYR 407.A O no hydrogen 2.917 N/A ALA 370.A N ASP 340.A O no hydrogen 2.910 N/A VAL 371.A N LEU 409.A O no hydrogen 2.951 N/A THR 372.A N VAL 343.A O no hydrogen 2.760 N/A THR 372.A OG1 VAL 343.A O no hydrogen 3.488 N/A SER 375.A N GLU 413.A O no hydrogen 2.979 N/A SER 375.A OG ASP 423.A OD2 no hydrogen 2.648 N/A ALA 377.A N ASP 423.A OD2 no hydrogen 2.886 N/A VAL 378.A N SER 375.A O no hydrogen 3.176 N/A ARG 379.A N PRO 376.A O no hydrogen 3.199 N/A ARG 379.A NE GLY 383.A O no hydrogen 3.164 N/A ARG 379.A NH2 GLY 383.A O no hydrogen 3.172 N/A VAL 380.A N ALA 377.A O no hydrogen 3.449 N/A ALA 381.A N PRO 376.A O no hydrogen 3.219 N/A SER 385.A N GLU 388.A OE1 no hydrogen 2.924 N/A SER 385.A OG GLU 387.A OE1 no hydrogen 3.450 N/A GLU 388.A N SER 385.A OG no hydrogen 3.002 N/A ALA 389.A N SER 385.A O no hydrogen 2.808 N/A LEU 390.A N PRO 386.A O no hydrogen 3.094 N/A LYS 391.A N GLU 387.A O no hydrogen 2.989 N/A LYS 391.A NZ GLU 395.A OE2 no hydrogen 3.037 N/A ARG 392.A N GLU 388.A O no hydrogen 2.865 N/A ARG 392.A NH2 GLY 411.A O no hydrogen 3.286 N/A VAL 393.A N ALA 389.A O no hydrogen 3.079 N/A GLY 394.A N LEU 390.A O no hydrogen 3.222 N/A GLU 395.A N LYS 391.A O no hydrogen 3.037 N/A ILE 396.A N ARG 392.A O no hydrogen 2.879 N/A ARG 397.A N VAL 393.A O no hydrogen 2.948 N/A ARG 397.A NH1 ASP 433.A OD1 no hydrogen 3.119 N/A ARG 397.A NH1 ASP 433.A OD2 no hydrogen 2.785 N/A ARG 397.A NH2 ASP 433.A OD1 no hydrogen 2.627 N/A ARG 398.A N GLY 394.A O no hydrogen 2.923 N/A PHE 399.A N GLU 395.A O no hydrogen 2.902 N/A ASN 400.A N ILE 396.A O no hydrogen 2.924 N/A ASN 400.A ND2 LEU 408.A O no hydrogen 2.827 N/A GLU 401.A N ARG 397.A O no hydrogen 2.911 N/A THR 402.A N ARG 398.A O no hydrogen 3.029 N/A THR 402.A N PHE 399.A O no hydrogen 3.130 N/A THR 402.A OG1 ARG 398.A O no hydrogen 3.200 N/A THR 402.A OG1 PHE 399.A O no hydrogen 3.119 N/A THR 402.A OG1 HIS 403.A ND1 no hydrogen 3.023 N/A HIS 403.A N ASN 400.A O no hydrogen 3.245 N/A HIS 403.A ND1 PHE 399.A O no hydrogen 2.950 N/A HIS 403.A ND1 THR 402.A OG1 no hydrogen 3.023 N/A HIS 403.A NE2 GLU 355.A OE1 no hydrogen 2.670 N/A GLY 404.A N ASN 400.A O no hydrogen 2.933 N/A TYR 407.A N ARG 367.A O no hydrogen 3.004 N/A LEU 408.A N ASN 400.A OD1 no hydrogen 2.845 N/A LEU 409.A N LEU 369.A O no hydrogen 2.834 N/A ALA 410.A N ASP 433.A OD2 no hydrogen 2.847 N/A GLY 411.A N VAL 371.A O no hydrogen 2.863 N/A ALA 412.A N LEU 434.A O no hydrogen 3.106 N/A GLU 413.A N ASP 373.A O no hydrogen 2.928 N/A VAL 414.A N LEU 436.A O no hydrogen 2.774 N/A ASP 415.A N SER 375.A OG no hydrogen 3.008 N/A ILE 416.A N SER 438.A O no hydrogen 2.970 N/A HIS 417.A N THR 421.A O no hydrogen 2.796 N/A HIS 417.A ND1 THR 421.A OG1 no hydrogen 3.112 N/A HIS 417.A NE2 ASP 423.A OD1 no hydrogen 2.875 N/A GLY 420.A N HIS 417.A O no hydrogen 2.881 N/A THR 421.A N ASP 419.A OD1 no hydrogen 2.971 N/A THR 421.A OG1 HIS 417.A ND1 no hydrogen 3.112 N/A THR 421.A OG1 ASP 419.A OD1 no hydrogen 2.653 N/A ASP 423.A N ASP 415.A O no hydrogen 2.977 N/A TYR 424.A OH PRO 384.A O no hydrogen 2.916 N/A VAL 428.A N PRO 425.A O no hydrogen 2.961 N/A LEU 429.A N PRO 425.A O no hydrogen 3.131 N/A ARG 430.A N ASP 426.A O no hydrogen 2.867 N/A GLU 431.A N VAL 428.A O no hydrogen 2.971 N/A LEU 432.A N VAL 428.A O no hydrogen 3.287 N/A LEU 432.A N LEU 429.A O no hydrogen 3.227 N/A ASP 433.A N ALA 410.A O no hydrogen 2.702 N/A LEU 434.A N ALA 410.A O no hydrogen 3.443 N/A LEU 436.A N ALA 412.A O no hydrogen 3.015 N/A VAL 437.A N VAL 465.A O no hydrogen 2.927 N/A SER 438.A N VAL 414.A O no hydrogen 3.150 N/A SER 438.A OG GLU 413.A OE2 no hydrogen 2.733 N/A GLN 450.A N PRO 446.A O no hydrogen 2.897 N/A GLN 450.A NE2 ARG 442.A O no hydrogen 3.063 N/A GLN 450.A NE2 PHE 443.A O no hydrogen 3.410 N/A THR 451.A N LYS 447.A O no hydrogen 2.896 N/A THR 451.A OG1 LYS 447.A O no hydrogen 2.780 N/A LYS 452.A N ALA 448.A O no hydrogen 3.016 N/A ARG 453.A N ASP 449.A O no hydrogen 2.958 N/A ARG 453.A NE HIS 417.A O no hydrogen 2.958 N/A ARG 453.A NH1 SER 441.A O no hydrogen 2.898 N/A ARG 453.A NH1 ARG 442.A O no hydrogen 3.241 N/A ARG 453.A NH1 GLN 450.A OE1 no hydrogen 2.900 N/A ARG 453.A NH2 ILE 416.A O no hydrogen 2.909 N/A ARG 453.A NH2 SER 441.A O no hydrogen 3.112 N/A ARG 453.A NH2 SER 441.A OG no hydrogen 3.136 N/A LEU 454.A N GLN 450.A O no hydrogen 3.004 N/A LEU 455.A N THR 451.A O no hydrogen 2.893 N/A LYS 456.A N LYS 452.A O no hydrogen 2.900 N/A ALA 457.A N ARG 453.A O no hydrogen 3.046 N/A LEU 458.A N LEU 454.A O no hydrogen 3.009 N/A GLU 459.A N LYS 456.A O no hydrogen 3.147 N/A ASN 460.A N ALA 457.A O no hydrogen 3.168 N/A ASN 460.A ND2 ASP 426.A OD1 no hydrogen 2.905 N/A PHE 462.A N ASN 460.A OD1 no hydrogen 2.871 N/A VAL 463.A N ASN 460.A O no hydrogen 3.317 N/A HIS 464.A N VAL 435.A O no hydrogen 2.907 N/A VAL 465.A N VAL 435.A O no hydrogen 3.092 N/A LEU 466.A N ALA 497.A O no hydrogen 2.871 N/A ALA 467.A N VAL 437.A O no hydrogen 2.860 N/A HIS 468.A N GLU 499.A OE1 no hydrogen 2.797 N/A HIS 468.A ND1 HIS 468.A O no hydrogen 2.619 N/A HIS 468.A NE2 GLU 413.A OE2 no hydrogen 2.928 N/A THR 470.A N ASP 508.A OD2 no hydrogen 3.092 N/A THR 470.A OG1 ASP 508.A OD1 no hydrogen 3.089 N/A THR 470.A OG1 ASP 508.A OD2 no hydrogen 2.999 N/A ALA 471.A N HIS 468.A O no hydrogen 2.974 N/A ARG 472.A N THR 470.A OG1 no hydrogen 3.272 N/A ARG 472.A NE ARG 506.A O no hydrogen 2.994 N/A ARG 472.A NE MET 507.A O no hydrogen 3.325 N/A ARG 472.A NH2 ASP 194.A OD2 no hydrogen 2.824 N/A ARG 472.A NH2 MET 507.A O no hydrogen 2.783 N/A LEU 473.A N ARG 477.A O no hydrogen 2.926 N/A LEU 474.A N ASP 505.A O no hydrogen 2.761 N/A ARG 476.A N LEU 473.A O no hydrogen 2.864 N/A ARG 476.A NH2 ASP 505.A OD2 no hydrogen 3.141 N/A ARG 477.A N LEU 473.A O no hydrogen 2.836 N/A ARG 477.A NE ALA 471.A O no hydrogen 3.023 N/A ARG 477.A NH2 ALA 471.A O no hydrogen 2.821 N/A ILE 480.A N THR 470.A O no hydrogen 2.852 N/A ASP 483.A N THR 451.A OG1 no hydrogen 2.876 N/A ALA 486.A N ASP 483.A OD1 no hydrogen 3.142 N/A VAL 487.A N ASP 483.A O no hydrogen 2.980 N/A PHE 488.A N TRP 484.A O no hydrogen 2.762 N/A GLN 489.A N GLU 485.A O no hydrogen 2.884 N/A GLN 489.A NE2 GLU 493.A OE2 no hydrogen 2.864 N/A LYS 490.A N ALA 486.A O no hydrogen 3.048 N/A LYS 490.A NZ LEU 455.A O no hydrogen 2.937 N/A ALA 491.A N VAL 487.A O no hydrogen 2.939 N/A LYS 492.A N PHE 488.A O no hydrogen 2.849 N/A LYS 492.A NZ MET 520.A O no hydrogen 2.767 N/A GLU 493.A N GLN 489.A O no hydrogen 3.050 N/A LYS 494.A N LYS 490.A O no hydrogen 2.936 N/A LYS 494.A N ALA 491.A O no hydrogen 3.215 N/A LYS 494.A NZ GLU 459.A OE2 no hydrogen 3.301 N/A GLY 495.A N LYS 492.A O no hydrogen 3.144 N/A VAL 496.A N ALA 491.A O no hydrogen 2.863 N/A ALA 497.A N HIS 464.A O no hydrogen 2.908 N/A VAL 498.A N TRP 523.A O no hydrogen 2.977 N/A GLU 499.A N LEU 466.A O no hydrogen 3.057 N/A ILE 500.A N SER 525.A O no hydrogen 2.780 N/A ASP 501.A N ASP 508.A O no hydrogen 2.769 N/A GLY 502.A N SER 527.A O no hydrogen 2.819 N/A TYR 503.A N ASP 501.A OD1 no hydrogen 3.043 N/A ARG 506.A N TYR 503.A O no hydrogen 2.873 N/A MET 507.A N TYR 503.A O no hydrogen 3.139 N/A ASP 508.A N ASP 501.A O no hydrogen 3.054 N/A LEU 509.A N GLU 499.A O no hydrogen 2.874 N/A LEU 513.A N ASP 512.A OD1 no hydrogen 2.927 N/A ALA 514.A N PRO 510.A O no hydrogen 2.848 N/A ARG 515.A N ASP 511.A O no hydrogen 2.814 N/A ARG 515.A NH2 GLN 317.A O no hydrogen 2.896 N/A MET 516.A N ASP 512.A O no hydrogen 3.042 N/A ALA 517.A N LEU 513.A O no hydrogen 2.844 N/A TYR 518.A N ALA 514.A O no hydrogen 2.898 N/A TYR 518.A OH GLU 554.A O no hydrogen 2.670 N/A GLY 519.A N ARG 515.A O no hydrogen 2.921 N/A MET 520.A N MET 516.A O no hydrogen 2.913 N/A GLY 521.A N TYR 518.A O no hydrogen 2.927 N/A LEU 522.A N ALA 517.A O no hydrogen 3.128 N/A ILE 524.A N ARG 555.A O no hydrogen 2.836 N/A SER 525.A N VAL 498.A O no hydrogen 2.918 N/A SER 527.A N ILE 500.A O no hydrogen 3.043 N/A SER 527.A OG GLU 499.A OE2 no hydrogen 2.747 N/A THR 528.A N ASP 340.A OD1 no hydrogen 3.068 N/A THR 528.A OG1 ASP 340.A OD2 no hydrogen 2.639 N/A HIS 531.A N HIS 535.A ND1 no hydrogen 2.882 N/A HIS 531.A ND1 ASP 529.A O no hydrogen 2.798 N/A HIS 531.A NE2 ASP 349.A OD2 no hydrogen 3.162 N/A HIS 535.A N GLN 532.A O no hydrogen 3.034 N/A LEU 536.A N THR 533.A O no hydrogen 3.062 N/A ARG 537.A NE ASP 534.A O no hydrogen 3.100 N/A ARG 537.A NH1 SER 165.A OG no hydrogen 3.307 N/A PHE 538.A N HIS 535.A O no hydrogen 2.951 N/A MET 539.A N LEU 536.A O no hydrogen 3.222 N/A LEU 541.A N PHE 538.A O no hydrogen 2.913 N/A ALA 542.A N PHE 538.A O no hydrogen 3.284 N/A VAL 543.A N MET 539.A O no hydrogen 2.960 N/A GLY 544.A N GLU 540.A O no hydrogen 2.853 N/A THR 545.A N LEU 541.A O no hydrogen 2.926 N/A THR 545.A OG1 LEU 541.A O no hydrogen 3.062 N/A ALA 546.A N ALA 542.A O no hydrogen 2.934 N/A GLN 547.A N VAL 543.A O no hydrogen 2.872 N/A GLN 547.A NE2 LEU 332.A O no hydrogen 2.789 N/A GLN 547.A NE2 GLU 333.A OE1.B no hydrogen 3.196 N/A ARG 548.A N GLY 544.A O no hydrogen 2.962 N/A ARG 548.A NE ASP 511.A OD2 no hydrogen 2.732 N/A ARG 548.A NH1 ARG 191.A O no hydrogen 2.982 N/A ARG 548.A NH1 GLU 315.A OE2 no hydrogen 2.905 N/A ARG 548.A NH2 GLU 315.A OE2 no hydrogen 3.177 N/A ARG 548.A NH2 ASP 511.A OD2 no hydrogen 3.448 N/A ALA 549.A N THR 545.A O no hydrogen 2.971 N/A TRP 550.A N GLN 547.A O no hydrogen 2.990 N/A ILE 551.A N ALA 546.A O no hydrogen 2.926 N/A GLY 552.A N TYR 518.A OH no hydrogen 3.250 N/A ARG 555.A NH1 TYR 518.A O no hydrogen 2.987 N/A ARG 555.A NH1 LEU 522.A O no hydrogen 2.850 N/A ARG 555.A NH2 TYR 518.A O no hydrogen 3.543 N/A VAL 556.A N PRO 553.A O no hydrogen 3.381 N/A LEU 557.A N ILE 524.A O no hydrogen 2.842 N/A THR 559.A N VAL 556.A O no hydrogen 3.083 N/A THR 559.A OG1 PRO 553.A O no hydrogen 2.965 N/A THR 559.A OG1 VAL 556.A O no hydrogen 2.935 N/A LEU 560.A N LEU 557.A O no hydrogen 3.019 N/A ASP 564.A N ASP 561.A OD1 no hydrogen 2.945 N/A LEU 565.A N ASP 561.A O no hydrogen 2.818 N/A LEU 566.A N TYR 562.A O no hydrogen 2.910 N/A SER 567.A N GLU 563.A O no hydrogen 2.992 N/A SER 567.A OG.A GLU 563.A O no hydrogen 3.106 N/A TRP 568.A N ASP 564.A O no hydrogen 2.967 N/A LEU 569.A N LEU 565.A O no hydrogen 2.942 N/A LYS 570.A N LEU 566.A O no hydrogen 2.973 N/A ALA 571.A N TRP 568.A O no hydrogen 3.233 N/A ARG 573.A NE GLY 495.A O no hydrogen 2.745 N/A ARG 573.A NH1 TRP 568.A O no hydrogen 3.224 N/A ARG 573.A NH2 GLY 495.A O no hydrogen 3.213 N/A VAL 575.A N GLU 493.A O no hydrogen 2.826 N/A