Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2uxw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ASP 342.A OD2 no hydrogen 2.836 N/A SER 4.A N SER 2.A OG no hydrogen 3.031 N/A SER 4.A OG GLU 346.A OE1 no hydrogen 3.422 N/A SER 4.A OG GLU 346.A OE2 no hydrogen 2.624 N/A ALA 6.A N GLU 346.A OE2 no hydrogen 3.044 N/A VAL 7.A N SER 4.A OG no hydrogen 3.009 N/A GLY 8.A N SER 4.A O no hydrogen 3.083 N/A MET 9.A N PHE 5.A O no hydrogen 2.902 N/A LYS 11.A N GLY 8.A O no hydrogen 2.875 N/A GLY 12.A N MET 9.A O no hydrogen 3.084 N/A GLN 13.A N GLY 8.A O no hydrogen 2.960 N/A VAL 19.A N THR 16.A O no hydrogen 3.003 N/A PHE 20.A N THR 16.A O no hydrogen 2.901 N/A TYR 22.A OH SER 327.A O no hydrogen 2.701 N/A ASN 27.A N GLN 30.A OE1 no hydrogen 2.930 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.854 N/A GLN 30.A N ASN 27.A OD1 no hydrogen 2.841 N/A THR 31.A N ASN 27.A O no hydrogen 2.966 N/A THR 31.A OG1 ASN 27.A O no hydrogen 3.173 N/A GLN 32.A N GLU 28.A O no hydrogen 3.009 N/A GLN 32.A NE2 GLU 36.A OE2 no hydrogen 2.956 N/A PHE 33.A N GLU 29.A O no hydrogen 2.945 N/A LEU 34.A N GLN 30.A O no hydrogen 2.977 N/A LYS 35.A N THR 31.A O no hydrogen 2.986 N/A GLU 36.A N GLN 32.A O no hydrogen 3.089 N/A LEU 37.A N PHE 33.A O no hydrogen 3.161 N/A LEU 37.A N LEU 34.A O no hydrogen 2.993 N/A VAL 38.A N LEU 34.A O no hydrogen 2.884 N/A GLU 39.A N LYS 35.A O no hydrogen 3.447 N/A VAL 41.A N LEU 37.A O no hydrogen 3.084 N/A SER 42.A N VAL 38.A O no hydrogen 2.899 N/A SER 42.A OG VAL 38.A O no hydrogen 2.828 N/A ARG 43.A N GLU 39.A O no hydrogen 2.980 N/A ARG 43.A NE.A GLU 47.A OE2 no hydrogen 3.321 N/A ARG 43.A NE.B GLU 46.A OE1 no hydrogen 2.590 N/A ARG 43.A NH2.A GLU 47.A OE1 no hydrogen 3.185 N/A ARG 43.A NH2.B GLU 46.A OE1 no hydrogen 3.365 N/A ARG 43.A NH2.B GLU 46.A OE2 no hydrogen 3.077 N/A PHE 44.A N PRO 40.A O no hydrogen 2.986 N/A PHE 45.A N VAL 41.A O no hydrogen 3.154 N/A GLU 46.A N SER 42.A O no hydrogen 2.914 N/A GLU 47.A N ARG 43.A O no hydrogen 2.804 N/A VAL 48.A N PHE 44.A O no hydrogen 2.853 N/A ASN 49.A N PHE 44.A O no hydrogen 3.166 N/A ASN 49.A ND2 ASP 103.A OD2 no hydrogen 2.959 N/A LYS 53.A N ASP 50.A OD1 no hydrogen 3.091 N/A ASN 54.A N ASP 50.A O no hydrogen 2.989 N/A ASN 54.A ND2 ASN 49.A OD1 no hydrogen 2.903 N/A ASN 54.A ND2 ASP 103.A OD2 no hydrogen 2.868 N/A ASP 55.A N PRO 51.A O no hydrogen 3.078 N/A ALA 56.A N ALA 52.A O no hydrogen 2.983 N/A LEU 57.A N LYS 53.A O no hydrogen 2.863 N/A MET 59.A N ASN 54.A O no hydrogen 3.302 N/A GLU 61.A N ASN 54.A OD1 no hydrogen 3.126 N/A TRP 65.A N GLU 61.A O no hydrogen 2.867 N/A GLN 66.A N GLU 62.A O no hydrogen 2.895 N/A GLN 66.A NE2 GLU 62.A OE2 no hydrogen 2.879 N/A GLY 67.A N THR 63.A O no hydrogen 2.920 N/A LEU 68.A N THR 64.A O no hydrogen 2.847 N/A LYS 69.A N TRP 65.A O no hydrogen 3.200 N/A LYS 69.A NZ GLY 140.A O no hydrogen 2.886 N/A GLU 70.A N GLN 66.A O no hydrogen 3.085 N/A LEU 71.A N GLY 67.A O no hydrogen 2.957 N/A LEU 71.A N LEU 68.A O no hydrogen 3.243 N/A GLY 72.A N LYS 69.A O no hydrogen 3.178 N/A ALA 73.A N LEU 68.A O no hydrogen 3.114 N/A GLY 75.A N GLY 72.A O no hydrogen 3.141 N/A LEU 76.A N GLN 114.A OE1 no hydrogen 2.948 N/A GLN 77.A NE2 ASN 89.A OD1 no hydrogen 3.099 N/A VAL 78.A N GLY 75.A O no hydrogen 3.220 N/A SER 80.A OG.A GLY 84.A O no hydrogen 3.525 N/A SER 80.A OG.B GLU 81.A OE2 no hydrogen 3.063 N/A LEU 82.A N PRO 79.A O no hydrogen 2.930 N/A GLY 83.A N SER 80.A O no hydrogen 3.147 N/A GLY 84.A N PRO 79.A O no hydrogen 3.121 N/A VAL 85.A N GLY 75.A O no hydrogen 3.093 N/A GLY 86.A N VAL 78.A O no hydrogen 2.880 N/A LEU 87.A N LEU 76.A O no hydrogen 2.979 N/A CYS 88.A N GLN 91.A OE1 no hydrogen 2.881 N/A CYS 88.A SG GLN 91.A OE1 no hydrogen 3.462 N/A CYS 88.A SG ASP 337.A OD2 no hydrogen 3.527 N/A ASN 89.A N ASP 337.A OD1 no hydrogen 2.898 N/A ASN 89.A ND2 ASP 337.A OD1 no hydrogen 3.020 N/A THR 90.A N ASP 337.A OD2 no hydrogen 2.887 N/A THR 90.A OG1 SER 333.A OG no hydrogen 3.254 N/A THR 90.A OG1 ASP 337.A OD2 no hydrogen 2.803 N/A GLN 91.A NE2 GLN 30.A O no hydrogen 3.153 N/A TYR 92.A N CYS 88.A O no hydrogen 2.943 N/A TYR 92.A OH SER 115.A OG no hydrogen 2.649 N/A ALA 93.A N ASN 89.A O no hydrogen 2.858 N/A ARG 94.A N THR 90.A O no hydrogen 3.224 N/A ARG 94.A NH1 ARG 94.A O no hydrogen 2.947 N/A LEU 95.A N GLN 91.A O no hydrogen 3.264 N/A VAL 96.A N TYR 92.A O no hydrogen 2.848 N/A GLU 97.A N ALA 93.A O no hydrogen 3.018 N/A ILE 98.A N LEU 95.A O no hydrogen 2.946 N/A VAL 99.A N LEU 95.A O no hydrogen 3.278 N/A GLY 100.A N VAL 96.A O no hydrogen 2.835 N/A MET 101.A N GLU 97.A O no hydrogen 3.014 N/A HIS 102.A N ILE 98.A O no hydrogen 3.238 N/A HIS 102.A N VAL 99.A O no hydrogen 3.124 N/A ASP 103.A N VAL 99.A O no hydrogen 2.821 N/A VAL 106.A N ASP 103.A OD1 no hydrogen 3.019 N/A GLY 107.A N ASP 103.A O no hydrogen 2.901 N/A ILE 108.A N LEU 104.A O no hydrogen 2.882 N/A THR 109.A N GLY 105.A O no hydrogen 3.175 N/A THR 109.A OG1.A ASN 184.A OD1 no hydrogen 3.201 N/A THR 109.A OG1.B GLY 105.A O no hydrogen 3.021 N/A THR 109.A OG1.C VAL 106.A O no hydrogen 2.835 N/A LEU 110.A N VAL 106.A O no hydrogen 2.969 N/A GLY 111.A N GLY 107.A O no hydrogen 2.793 N/A ALA 112.A N ILE 108.A O no hydrogen 2.729 N/A HIS 113.A N THR 109.A O no hydrogen 3.131 N/A HIS 113.A NE2 LEU 137.A O no hydrogen 2.929 N/A GLN 114.A N LEU 110.A O no hydrogen 3.047 N/A GLN 114.A NE2 ALA 73.A O no hydrogen 2.724 N/A GLN 114.A NE2 LEU 110.A O no hydrogen 3.193 N/A SER 115.A N GLY 111.A O no hydrogen 2.767 N/A SER 115.A OG TYR 92.A OH no hydrogen 2.649 N/A ILE 116.A N GLY 111.A O no hydrogen 3.235 N/A PHE 118.A N HIS 113.A O no hydrogen 3.020 N/A LYS 119.A NZ SER 115.A O no hydrogen 2.863 N/A LYS 119.A NZ ASN 271.A OD1 no hydrogen 2.876 N/A ILE 121.A N PHE 118.A O no hydrogen 2.864 N/A LEU 122.A N PHE 118.A O no hydrogen 3.436 N/A LEU 123.A N LYS 119.A O no hydrogen 2.925 N/A PHE 124.A N GLY 120.A O no hydrogen 2.766 N/A GLY 125.A N ILE 121.A O no hydrogen 2.897 N/A THR 126.A N GLN 129.A OE1 no hydrogen 3.050 N/A LYS 127.A NZ GLU 131.A OE1 no hydrogen 3.200 N/A LYS 127.A NZ GLU 131.A OE2 no hydrogen 2.820 N/A GLN 129.A N THR 126.A OG1 no hydrogen 3.170 N/A GLN 129.A NE2 GLU 252.A O no hydrogen 2.801 N/A GLN 129.A NE2 VAL 254.A O no hydrogen 2.861 N/A LYS 130.A N THR 126.A O no hydrogen 2.927 N/A LYS 130.A NZ LEU 122.A O no hydrogen 3.387 N/A GLU 131.A N LYS 127.A O no hydrogen 2.945 N/A LYS 132.A N ALA 128.A O no hydrogen 2.966 N/A LYS 132.A NZ GLU 217.A OE2 no hydrogen 3.439 N/A TYR 133.A N GLN 129.A O no hydrogen 3.033 N/A TYR 133.A OH GLU 217.A OE2 no hydrogen 2.636 N/A LEU 134.A N LYS 130.A O no hydrogen 3.043 N/A LEU 137.A N TYR 133.A O no hydrogen 3.275 N/A ALA 138.A N LEU 134.A O no hydrogen 2.836 N/A SER 139.A N PRO 135.A O no hydrogen 3.256 N/A SER 139.A OG LYS 136.A O no hydrogen 3.252 N/A GLY 140.A N LEU 137.A O no hydrogen 3.139 N/A GLU 141.A N SER 139.A OG no hydrogen 3.167 N/A THR 142.A N LYS 136.A O no hydrogen 3.005 N/A ALA 144.A N HIS 113.A ND1 no hydrogen 2.975 N/A ALA 145.A N ILE 190.A O no hydrogen 3.025 N/A CYS 147.A N THR 192.A O no hydrogen 2.791 N/A GLU 150.A N SER 153.A O no hydrogen 2.922 N/A SER 152.A OG SER 153.A OG no hydrogen 2.865 N/A SER 153.A N GLU 150.A O no hydrogen 3.016 N/A SER 153.A OG SER 152.A OG no hydrogen 2.865 N/A SER 153.A OG SER 159.A OG no hydrogen 2.781 N/A SER 159.A N ASP 156.A O no hydrogen 3.098 N/A SER 159.A OG SER 153.A OG no hydrogen 2.781 N/A SER 159.A OG ASP 156.A O no hydrogen 2.652 N/A ILE 160.A N ALA 157.A O no hydrogen 3.202 N/A ARG 161.A N GLU 150.A OE1 no hydrogen 2.745 N/A THR 162.A N GLU 150.A OE2 no hydrogen 2.996 N/A THR 162.A OG1 GLU 150.A OE2 no hydrogen 2.715 N/A SER 163.A N ASN 176.A O no hydrogen 2.885 N/A ALA 164.A N LYS 196.A O no hydrogen 2.868 N/A VAL 165.A N THR 174.A O no hydrogen 3.013 N/A SER 167.A N TYR 172.A O no hydrogen 2.842 N/A SER 167.A OG TYR 172.A O no hydrogen 3.098 N/A CYS 169.A SG SER 167.A OG no hydrogen 3.012 N/A GLY 170.A N SER 167.A O no hydrogen 3.002 N/A GLY 170.A N SER 167.A OG no hydrogen 2.949 N/A TYR 172.A N SER 167.A OG no hydrogen 3.265 N/A TYR 173.A N VAL 249.A O no hydrogen 2.756 N/A THR 174.A N VAL 165.A O no hydrogen 2.834 N/A LEU 175.A N VAL 247.A O no hydrogen 2.813 N/A ASN 176.A N SER 163.A O no hydrogen 2.894 N/A GLY 177.A N PHE 244.A O no hydrogen 2.953 N/A LYS 179.A N VAL 242.A O no hydrogen 2.823 N/A LYS 179.A NZ LEU 148.A O no hydrogen 2.929 N/A LYS 179.A NZ GLU 150.A OE2 no hydrogen 2.775 N/A LYS 179.A NZ PHE 194.A O no hydrogen 2.927 N/A LEU 180.A N THR 149.A O no hydrogen 2.858 N/A ILE 182.A N ALA 240.A O no hydrogen 2.995 N/A ASN 184.A N ASN 238.A O no hydrogen 2.837 N/A ASN 184.A ND2 THR 109.A O no hydrogen 3.078 N/A ASN 184.A ND2 ALA 144.A O no hydrogen 3.179 N/A GLY 185.A N ILE 182.A O no hydrogen 2.975 N/A GLY 186.A N ASN 238.A OD1 no hydrogen 2.864 N/A LEU 187.A N ASN 184.A O no hydrogen 2.946 N/A ALA 188.A N ASN 184.A O no hydrogen 2.852 N/A ASP 189.A N VAL 143.A O no hydrogen 2.817 N/A ILE 190.A N VAL 143.A O no hydrogen 3.130 N/A PHE 191.A N VAL 216.A O no hydrogen 2.837 N/A THR 192.A N ALA 145.A O no hydrogen 2.910 N/A THR 192.A OG1 GLY 117.A O no hydrogen 2.717 N/A VAL 193.A N PHE 214.A O no hydrogen 2.891 N/A PHE 194.A N CYS 147.A O no hydrogen 3.263 N/A ALA 195.A N THR 212.A O no hydrogen 2.984 N/A LYS 196.A N THR 162.A O no hydrogen 2.763 N/A LYS 196.A NZ ALA 158.A O no hydrogen 2.878 N/A LYS 196.A NZ ILE 160.A O no hydrogen 2.810 N/A THR 197.A N LYS 210.A O no hydrogen 2.813 N/A THR 197.A OG1 LYS 210.A O no hydrogen 3.242 N/A THR 197.A OG1 THR 212.A OG1 no hydrogen 2.751 N/A VAL 199.A N LYS 208.A O no hydrogen 2.850 N/A ASP 201.A N ALA 206.A O no hydrogen 2.856 N/A THR 204.A N ASP 201.A OD2 no hydrogen 2.870 N/A THR 204.A OG1 ASP 201.A OD2 no hydrogen 2.981 N/A GLY 205.A N ASP 201.A O no hydrogen 2.795 N/A ALA 206.A N THR 204.A OG1 no hydrogen 3.086 N/A LYS 208.A N VAL 199.A O no hydrogen 3.037 N/A LYS 210.A N THR 197.A O no hydrogen 3.027 N/A THR 212.A N ALA 195.A O no hydrogen 2.836 N/A THR 212.A OG1 THR 197.A OG1 no hydrogen 2.751 N/A PHE 214.A N VAL 193.A O no hydrogen 2.885 N/A VAL 215.A N ASN 253.A O no hydrogen 2.871 N/A VAL 216.A N PHE 191.A O no hydrogen 2.813 N/A ARG 218.A N ASP 189.A O no hydrogen 2.891 N/A ARG 218.A NE ALA 188.A O no hydrogen 2.792 N/A ARG 218.A NH1 HIS 225.A ND1 no hydrogen 2.937 N/A ARG 218.A NH2 GLY 185.A O no hydrogen 2.958 N/A ARG 218.A NH2 ALA 188.A O no hydrogen 2.846 N/A ARG 218.A NH2 HIS 225.A ND1 no hydrogen 3.568 N/A PHE 220.A N GLU 217.A O no hydrogen 2.953 N/A GLY 221.A N ARG 218.A O no hydrogen 3.284 N/A THR 224.A N PHE 243.A O no hydrogen 3.076 N/A GLY 226.A N GLU 241.A O no hydrogen 2.841 N/A GLU 229.A N THR 239.A O no hydrogen 2.859 N/A LYS 230.A NZ.A GLU 58.A OE1 no hydrogen 3.472 N/A LYS 231.A NZ SER 237.A O no hydrogen 2.780 N/A LYS 231.A NZ THR 239.A OG1 no hydrogen 3.039 N/A ILE 234.A N ASP 386.A OD1 no hydrogen 2.746 N/A SER 237.A N ILE 234.A O no hydrogen 2.979 N/A SER 237.A OG.B ILE 234.A O no hydrogen 2.771 N/A ALA 240.A N ILE 182.A O no hydrogen 3.020 N/A VAL 242.A N LYS 179.A O no hydrogen 3.012 N/A PHE 243.A N THR 224.A O no hydrogen 2.777 N/A PHE 244.A N GLY 177.A O no hydrogen 2.873 N/A ASP 245.A N GLY 222.A O no hydrogen 2.837 N/A GLY 246.A N ASN 176.A OD1 no hydrogen 2.911 N/A VAL 247.A N LEU 175.A O no hydrogen 3.008 N/A VAL 249.A N TYR 173.A O no hydrogen 2.797 N/A SER 251.A N LYS 171.A O no hydrogen 3.009 N/A SER 251.A OG GLY 170.A O no hydrogen 3.348 N/A SER 251.A OG LYS 171.A O no hydrogen 3.546 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.871 N/A ASN 253.A N PRO 250.A O no hydrogen 2.790 N/A ASN 253.A ND2 TYR 133.A OH no hydrogen 2.807 N/A ASN 253.A ND2 VAL 215.A O no hydrogen 2.823 N/A VAL 254.A N SER 251.A O no hydrogen 3.305 N/A LEU 255.A N ALA 213.A O no hydrogen 2.849 N/A GLY 259.A N THR 212.A OG1 no hydrogen 2.860 N/A SER 260.A N GLU 257.A O no hydrogen 3.013 N/A GLY 261.A N ILE 211.A O no hydrogen 2.831 N/A VAL 264.A N SER 260.A O no hydrogen 3.060 N/A ALA 265.A N GLY 261.A O no hydrogen 2.970 N/A MET 266.A N PHE 262.A O no hydrogen 2.985 N/A HIS 267.A N LYS 263.A O no hydrogen 2.877 N/A ILE 268.A N VAL 264.A O no hydrogen 2.954 N/A LEU 269.A N ALA 265.A O no hydrogen 3.018 N/A ASN 270.A N MET 266.A O no hydrogen 2.878 N/A ASN 271.A N HIS 267.A O no hydrogen 2.787 N/A GLY 272.A N ILE 268.A O no hydrogen 2.966 N/A ARG 273.A N ASN 270.A O no hydrogen 3.049 N/A ARG 273.A NH1.B GLU 394.A O no hydrogen 2.702 N/A ARG 273.A NH1.B GLU 394.A OE2 no hydrogen 3.158 N/A ARG 273.A NH2.A GLU 394.A O no hydrogen 2.956 N/A GLY 275.A N GLY 272.A O no hydrogen 2.954 N/A MET 276.A N ARG 273.A O no hydrogen 3.030 N/A ALA 278.A N PHE 274.A O no hydrogen 3.089 N/A ALA 279.A N GLY 275.A O no hydrogen 2.986 N/A LEU 280.A N MET 276.A O no hydrogen 2.900 N/A ALA 281.A N ALA 277.A O no hydrogen 2.893 N/A GLY 282.A N ALA 278.A O no hydrogen 3.345 N/A THR 283.A N ALA 279.A O no hydrogen 2.983 N/A THR 283.A OG1 GLY 100.A O no hydrogen 2.782 N/A THR 283.A OG1 ALA 279.A O no hydrogen 3.245 N/A MET 284.A N LEU 280.A O no hydrogen 2.916 N/A ARG 285.A N ALA 281.A O no hydrogen 3.020 N/A ARG 285.A NH2 GLU 326.A OE2 no hydrogen 2.872 N/A GLY 286.A N GLY 282.A O no hydrogen 3.127 N/A ILE 287.A N THR 283.A O no hydrogen 2.990 N/A ILE 288.A N MET 284.A O no hydrogen 2.858 N/A ALA 289.A N ARG 285.A O no hydrogen 3.237 N/A LYS 290.A N GLY 286.A O no hydrogen 3.235 N/A ALA 291.A N ILE 287.A O no hydrogen 2.980 N/A VAL 292.A N ILE 288.A O no hydrogen 2.829 N/A ASP 293.A N ALA 289.A O no hydrogen 2.916 N/A HIS 294.A N LYS 290.A O no hydrogen 3.022 N/A ALA 295.A N ALA 291.A O no hydrogen 2.930 N/A THR 296.A N VAL 292.A O no hydrogen 2.859 N/A THR 296.A OG1 VAL 292.A O no hydrogen 2.690 N/A ASN 297.A N ASP 293.A O no hydrogen 3.217 N/A ASN 297.A N HIS 294.A O no hydrogen 3.244 N/A ASN 297.A ND2 ASP 293.A O no hydrogen 3.068 N/A ARG 298.A N HIS 294.A O no hydrogen 2.958 N/A GLN 300.A N GLU 303.A O no hydrogen 2.898 N/A GLN 300.A NE2 THR 299.A O no hydrogen 2.834 N/A GLU 303.A N GLN 300.A O no hydrogen 3.330 N/A LYS 304.A NZ ASN 297.A O no hydrogen 2.871 N/A LYS 304.A NZ THR 299.A OG1 no hydrogen 2.848 N/A ILE 305.A N ARG 298.A O no hydrogen 2.941 N/A HIS 306.A N ALA 295.A O no hydrogen 3.139 N/A ASN 307.A N LYS 304.A O no hydrogen 3.000 N/A ASN 307.A ND2 LYS 304.A O no hydrogen 2.913 N/A PHE 308.A N ILE 305.A O no hydrogen 3.013 N/A GLN 312.A N PHE 308.A O no hydrogen 3.058 N/A GLN 312.A NE2 HIS 306.A O no hydrogen 2.985 N/A GLU 313.A N GLY 309.A O no hydrogen 2.932 N/A LYS 314.A N LEU 310.A O no hydrogen 3.197 N/A LYS 314.A NZ GLU 364.A OE2 no hydrogen 2.823 N/A LEU 315.A N ILE 311.A O no hydrogen 2.933 N/A ALA 316.A N GLN 312.A O no hydrogen 2.894 N/A ARG 317.A N GLU 313.A O no hydrogen 2.948 N/A ARG 317.A NE GLU 313.A OE2 no hydrogen 2.875 N/A ARG 317.A NH1 GLU 521.A OE1 no hydrogen 3.119 N/A ARG 317.A NH2 GLU 313.A OE2 no hydrogen 2.848 N/A ARG 317.A NH2 GLU 521.A OE1 no hydrogen 2.880 N/A MET 318.A N LYS 314.A O no hydrogen 3.036 N/A VAL 319.A N LEU 315.A O no hydrogen 3.135 N/A MET 320.A N ALA 316.A O no hydrogen 3.062 N/A LEU 321.A N ARG 317.A O no hydrogen 3.052 N/A GLN 322.A N MET 318.A O no hydrogen 3.035 N/A GLN 322.A NE2 ALA 281.A O no hydrogen 3.144 N/A GLN 322.A NE2 GLU 326.A OE2 no hydrogen 3.067 N/A TYR 323.A N VAL 319.A O no hydrogen 2.854 N/A TYR 323.A OH GLU 511.A OE1 no hydrogen 2.632 N/A VAL 324.A N MET 320.A O no hydrogen 2.964 N/A THR 325.A N LEU 321.A O no hydrogen 3.030 N/A THR 325.A OG1 LEU 321.A O no hydrogen 2.839 N/A GLU 326.A N GLN 322.A O no hydrogen 2.909 N/A SER 327.A N TYR 323.A O no hydrogen 2.919 N/A SER 327.A OG TYR 323.A O no hydrogen 2.654 N/A MET 328.A N VAL 324.A O no hydrogen 2.892 N/A ALA 329.A N THR 325.A O no hydrogen 2.930 N/A TYR 330.A N GLU 326.A O no hydrogen 3.168 N/A TYR 330.A OH GLU 97.A OE1 no hydrogen 2.577 N/A MET 331.A N SER 327.A O no hydrogen 3.048 N/A VAL 332.A N MET 328.A O no hydrogen 2.986 N/A SER 333.A N ALA 329.A O no hydrogen 3.028 N/A SER 333.A OG THR 90.A OG1 no hydrogen 3.254 N/A SER 333.A OG ALA 329.A O no hydrogen 3.377 N/A SER 333.A OG TYR 330.A O no hydrogen 3.177 N/A ALA 334.A N TYR 330.A O no hydrogen 3.017 N/A ASN 335.A N MET 331.A O no hydrogen 2.902 N/A ASN 335.A ND2 GLN 18.A O no hydrogen 2.981 N/A MET 336.A N VAL 332.A O no hydrogen 2.943 N/A ASP 337.A N SER 333.A O no hydrogen 2.977 N/A GLN 338.A N ALA 334.A O no hydrogen 2.857 N/A GLN 338.A N ASN 335.A O no hydrogen 3.207 N/A GLY 339.A N MET 336.A O no hydrogen 3.120 N/A ALA 340.A N ASN 335.A O no hydrogen 2.919 N/A GLU 346.A N GLU 346.A OE1 no hydrogen 2.764 N/A ALA 347.A N PHE 343.A O no hydrogen 2.889 N/A ALA 348.A N GLN 344.A O no hydrogen 3.060 N/A ILE 349.A N ILE 345.A O no hydrogen 2.893 N/A SER 350.A N GLU 346.A O no hydrogen 2.911 N/A SER 350.A OG.A ALA 347.A O no hydrogen 2.776 N/A SER 350.A OG.B GLU 346.A O no hydrogen 2.696 N/A LYS 351.A N ALA 347.A O no hydrogen 3.085 N/A LYS 351.A NZ PHE 390.A O no hydrogen 2.806 N/A LYS 351.A NZ PHE 393.A O no hydrogen 2.968 N/A LYS 351.A NZ GLY 395.A O no hydrogen 2.713 N/A LYS 351.A NZ ASN 397.A OD1 no hydrogen 2.825 N/A ILE 352.A N ALA 348.A O no hydrogen 2.989 N/A PHE 353.A N ILE 349.A O no hydrogen 2.830 N/A GLY 354.A N SER 350.A O no hydrogen 2.860 N/A SER 355.A N LYS 351.A O no hydrogen 3.034 N/A SER 355.A OG LYS 351.A O no hydrogen 2.745 N/A SER 355.A OG ILE 352.A O no hydrogen 3.194 N/A GLU 356.A N ILE 352.A O no hydrogen 3.135 N/A ALA 357.A N PHE 353.A O no hydrogen 2.785 N/A ALA 358.A N GLY 354.A O no hydrogen 2.928 N/A TRP 359.A N SER 355.A O no hydrogen 3.243 N/A LYS 360.A N GLU 356.A O no hydrogen 3.010 N/A VAL 361.A N ALA 357.A O no hydrogen 2.840 N/A THR 362.A N ALA 358.A O no hydrogen 2.984 N/A THR 362.A OG1 ALA 358.A O no hydrogen 2.897 N/A ASP 363.A N TRP 359.A O no hydrogen 2.936 N/A GLU 364.A N LYS 360.A O no hydrogen 2.995 N/A CYS 365.A N VAL 361.A O no hydrogen 2.964 N/A CYS 365.A SG ILE 287.A O no hydrogen 3.779 N/A ILE 366.A N THR 362.A O no hydrogen 3.094 N/A GLN 367.A N ASP 363.A O no hydrogen 3.180 N/A ILE 368.A N GLU 364.A O no hydrogen 2.868 N/A MET 369.A N CYS 365.A O no hydrogen 2.988 N/A GLY 370.A N GLN 367.A O no hydrogen 3.174 N/A GLY 373.A N GLY 370.A O no hydrogen 2.944 N/A PHE 374.A N GLY 371.A O no hydrogen 3.048 N/A MET 375.A N MET 372.A O no hydrogen 3.101 N/A GLY 379.A N LYS 376.A O no hydrogen 2.976 N/A VAL 383.A N GLY 379.A O no hydrogen 3.341 N/A LEU 384.A N VAL 380.A O no hydrogen 2.994 N/A ARG 385.A N GLU 381.A O no hydrogen 2.976 N/A ARG 385.A NE GLU 381.A OE1 no hydrogen 2.823 N/A ARG 385.A NH1 ASP 55.A OD1 no hydrogen 3.026 N/A ARG 385.A NH1 MET 232.A O no hydrogen 3.101 N/A ARG 385.A NH2 ASP 55.A OD1 no hydrogen 3.537 N/A ARG 385.A NH2 ASP 55.A OD2 no hydrogen 3.141 N/A ARG 385.A NH2 GLU 381.A OE2 no hydrogen 2.998 N/A ASP 386.A N ARG 382.A O no hydrogen 2.983 N/A LEU 387.A N VAL 383.A O no hydrogen 2.973 N/A LEU 387.A N LEU 384.A O no hydrogen 3.105 N/A ARG 388.A NH1 ARG 388.A O no hydrogen 2.885 N/A PHE 390.A N LEU 387.A O no hydrogen 3.002 N/A ARG 391.A N ARG 388.A O no hydrogen 3.474 N/A ILE 392.A N ILE 389.A O no hydrogen 2.863 N/A PHE 393.A N ILE 389.A O no hydrogen 2.994 N/A THR 396.A OG1 ASP 398.A OD2 no hydrogen 3.492 N/A ASN 397.A N ARG 391.A O no hydrogen 3.064 N/A ASN 397.A ND2 SER 355.A OG no hydrogen 2.900 N/A ASN 397.A ND2 GLU 356.A OE2 no hydrogen 3.116 N/A ILE 399.A N THR 396.A OG1 no hydrogen 3.106 N/A LEU 400.A N THR 396.A O no hydrogen 2.850 N/A ARG 401.A N ASN 397.A O no hydrogen 2.917 N/A ARG 401.A NE ASP 482.A OD1 no hydrogen 2.766 N/A ARG 401.A NH1 GLU 356.A OE2 no hydrogen 2.876 N/A ARG 401.A NH2 GLU 356.A OE1 no hydrogen 2.817 N/A ARG 401.A NH2 GLU 356.A OE2 no hydrogen 3.485 N/A ARG 401.A NH2 ASP 482.A OD1 no hydrogen 3.297 N/A LEU 402.A N ASP 398.A O no hydrogen 3.147 N/A PHE 403.A N ILE 399.A O no hydrogen 2.873 N/A VAL 404.A N LEU 400.A O no hydrogen 2.901 N/A ALA 405.A N ARG 401.A O no hydrogen 2.985 N/A LEU 406.A N LEU 402.A O no hydrogen 2.897 N/A GLN 407.A N PHE 403.A O no hydrogen 2.758 N/A GLY 408.A N VAL 404.A O no hydrogen 2.973 N/A CYS 409.A N ALA 405.A O no hydrogen 3.022 N/A CYS 409.A SG ALA 405.A O no hydrogen 3.284 N/A MET 410.A N GLN 407.A O no hydrogen 3.268 N/A LYS 412.A NZ GLU 460.A OE1 no hydrogen 2.719 N/A GLY 413.A N CYS 409.A O no hydrogen 2.803 N/A LYS 414.A N MET 410.A O no hydrogen 3.010 N/A GLU 415.A N ASP 411.A O no hydrogen 3.050 N/A LEU 416.A N LYS 412.A O no hydrogen 2.982 N/A SER 417.A N GLY 413.A O no hydrogen 2.955 N/A SER 417.A OG GLY 413.A O no hydrogen 3.302 N/A GLY 418.A N LYS 414.A O no hydrogen 3.102 N/A LEU 419.A N LEU 416.A O no hydrogen 3.214 N/A SER 421.A OG GLY 418.A O no hydrogen 2.858 N/A PHE 427.A N ASN 425.A OD1 no hydrogen 3.004 N/A SER 429.A OG GLU 453.A OE2 no hydrogen 2.297 N/A LEU 431.A N SER 429.A OG no hydrogen 3.237 N/A SER 434.A N SER 432.A OG no hydrogen 2.878 N/A SER 434.A OG.A SER 432.A OG no hydrogen 3.187 N/A LEU 436.A N LEU 433.A O no hydrogen 2.951 N/A VAL 437.A N LEU 433.A O no hydrogen 2.998 N/A HIS 438.A N SER 498.A OG no hydrogen 2.988 N/A GLU 440.A N HIS 438.A ND1 no hydrogen 3.090 N/A LEU 441.A N HIS 438.A O no hydrogen 2.786 N/A SER 442.A N PRO 439.A O no hydrogen 3.112 N/A SER 442.A OG PRO 439.A O no hydrogen 3.238 N/A SER 444.A OG ASP 516.A OD1 no hydrogen 2.608 N/A GLY 445.A N LEU 441.A O no hydrogen 2.955 N/A GLU 446.A N SER 442.A O no hydrogen 2.954 N/A LEU 447.A N ARG 443.A O no hydrogen 2.970 N/A ALA 448.A N SER 444.A O no hydrogen 3.028 N/A VAL 449.A N GLY 445.A O no hydrogen 3.093 N/A ARG 450.A N GLU 446.A O no hydrogen 2.929 N/A ARG 450.A NE GLU 453.A OE1 no hydrogen 2.899 N/A ARG 450.A NH1 GLU 446.A OE1 no hydrogen 3.337 N/A ARG 450.A NH1 GLU 446.A OE2 no hydrogen 3.417 N/A ARG 450.A NH2 GLU 453.A OE2 no hydrogen 3.116 N/A ALA 451.A N LEU 447.A O no hydrogen 2.916 N/A LEU 452.A N ALA 448.A O no hydrogen 2.878 N/A GLU 453.A N VAL 449.A O no hydrogen 3.053 N/A GLN 454.A N ARG 450.A O no hydrogen 3.053 N/A PHE 455.A N ALA 451.A O no hydrogen 2.912 N/A ALA 456.A N LEU 452.A O no hydrogen 2.924 N/A THR 457.A N GLU 453.A O no hydrogen 3.009 N/A THR 457.A OG1 GLU 453.A O no hydrogen 2.744 N/A VAL 458.A N GLN 454.A O no hydrogen 3.298 N/A VAL 459.A N PHE 455.A O no hydrogen 2.960 N/A GLU 460.A N ALA 456.A O no hydrogen 3.004 N/A ALA 461.A N THR 457.A O no hydrogen 3.087 N/A LYS 462.A N VAL 458.A O no hydrogen 2.883 N/A LYS 462.A NZ LEU 533.A O no hydrogen 2.912 N/A LEU 463.A N VAL 459.A O no hydrogen 2.993 N/A ILE 464.A N GLU 460.A O no hydrogen 3.012 N/A LYS 465.A N ALA 461.A O no hydrogen 2.991 N/A HIS 466.A N LYS 462.A O no hydrogen 2.838 N/A LYS 467.A N LEU 463.A O no hydrogen 2.778 N/A LYS 467.A NZ ILE 464.A O no hydrogen 2.740 N/A ILE 470.A N LYS 467.A O no hydrogen 3.028 N/A VAL 471.A N LYS 468.A O no hydrogen 3.388 N/A ASN 472.A N GLY 469.A O no hydrogen 3.004 N/A GLU 473.A N ILE 470.A O no hydrogen 3.011 N/A LEU 477.A N GLU 473.A O no hydrogen 2.920 N/A GLN 478.A N GLN 474.A O no hydrogen 2.983 N/A GLN 478.A NE2 ASP 482.A OD2 no hydrogen 2.686 N/A ARG 479.A N PHE 475.A O no hydrogen 3.419 N/A ARG 479.A NH1 PHE 475.A O no hydrogen 2.984 N/A LEU 480.A N LEU 476.A O no hydrogen 2.866 N/A ALA 481.A N LEU 477.A O no hydrogen 2.898 N/A ASP 482.A N GLN 478.A O no hydrogen 3.031 N/A GLY 483.A N ARG 479.A O no hydrogen 3.204 N/A ALA 484.A N LEU 480.A O no hydrogen 2.960 N/A ILE 485.A N ALA 481.A O no hydrogen 2.890 N/A ASP 486.A N ASP 482.A O no hydrogen 3.171 N/A LEU 487.A N GLY 483.A O no hydrogen 2.933 N/A TYR 488.A N ALA 484.A O no hydrogen 2.974 N/A ALA 489.A N ILE 485.A O no hydrogen 2.961 N/A MET 490.A N ASP 486.A O no hydrogen 2.974 N/A VAL 491.A N LEU 487.A O no hydrogen 3.144 N/A VAL 492.A N TYR 488.A O no hydrogen 2.939 N/A VAL 493.A N ALA 489.A O no hydrogen 3.198 N/A LEU 494.A N MET 490.A O no hydrogen 2.922 N/A SER 495.A N VAL 491.A O no hydrogen 2.902 N/A SER 495.A OG VAL 19.A O no hydrogen 2.599 N/A ARG 496.A N VAL 492.A O no hydrogen 2.967 N/A ARG 496.A NH1 GLU 326.A OE1 no hydrogen 2.831 N/A ARG 496.A NH1 SER 327.A OG no hydrogen 2.989 N/A ARG 496.A NH2 GLU 326.A OE1 no hydrogen 3.139 N/A ALA 497.A N VAL 493.A O no hydrogen 2.896 N/A SER 498.A N LEU 494.A O no hydrogen 2.947 N/A SER 498.A OG LEU 494.A O no hydrogen 2.669 N/A ARG 499.A N SER 495.A O no hydrogen 3.077 N/A ARG 499.A NH1 TYR 22.A O no hydrogen 3.162 N/A SER 500.A N ARG 496.A O no hydrogen 3.028 N/A SER 500.A OG GLU 511.A OE2 no hydrogen 2.707 N/A LEU 501.A N ALA 497.A O no hydrogen 2.925 N/A SER 502.A N SER 498.A O no hydrogen 2.871 N/A SER 502.A OG SER 498.A O no hydrogen 3.084 N/A GLU 503.A N ARG 499.A O no hydrogen 2.902 N/A GLY 504.A N LEU 501.A O no hydrogen 3.184 N/A HIS 505.A N SER 500.A O no hydrogen 2.980 N/A HIS 505.A ND1.B THR 507.A OG1 no hydrogen 3.138 N/A HIS 505.A NE2.A GLU 503.A OE1 no hydrogen 2.416 N/A THR 507.A OG1 HIS 505.A ND1.B no hydrogen 3.138 N/A THR 507.A OG1 GLU 511.A OE2 no hydrogen 2.688 N/A ALA 508.A N HIS 505.A O no hydrogen 3.051 N/A GLN 509.A NE2 GLU 440.A OE1 no hydrogen 3.083 N/A GLU 511.A N THR 507.A O no hydrogen 2.863 N/A LYS 512.A N ALA 508.A O no hydrogen 2.878 N/A LYS 512.A NZ GLU 440.A OE1 no hydrogen 2.684 N/A LYS 512.A NZ GLN 509.A OE1 no hydrogen 3.195 N/A MET 513.A N GLN 509.A O no hydrogen 3.195 N/A LEU 514.A N HIS 510.A O no hydrogen 2.915 N/A CYS 515.A N GLU 511.A O no hydrogen 2.869 N/A ASP 516.A N LYS 512.A O no hydrogen 2.849 N/A THR 517.A N MET 513.A O no hydrogen 2.966 N/A THR 517.A OG1 MET 513.A O no hydrogen 2.665 N/A TRP 518.A N LEU 514.A O no hydrogen 2.974 N/A CYS 519.A N CYS 515.A O no hydrogen 2.835 N/A CYS 519.A SG CYS 515.A O no hydrogen 3.293 N/A ILE 520.A N ASP 516.A O no hydrogen 2.979 N/A ALA 522.A N TRP 518.A O no hydrogen 2.892 N/A ALA 523.A N CYS 519.A O no hydrogen 2.921 N/A ALA 524.A N ILE 520.A O no hydrogen 3.272 N/A ARG 525.A N GLU 521.A O no hydrogen 2.956 N/A ARG 525.A NE ASP 486.A OD2 no hydrogen 2.798 N/A ARG 525.A NH2 ASP 486.A OD1 no hydrogen 2.897 N/A ILE 526.A N ALA 522.A O no hydrogen 2.979 N/A ARG 527.A N ALA 523.A O no hydrogen 2.930 N/A ARG 527.A NE.A GLU 528.A OE2 no hydrogen 2.594 N/A GLU 528.A N ALA 524.A O no hydrogen 2.957 N/A GLY 529.A N ARG 525.A O no hydrogen 2.805 N/A MET 530.A N ILE 526.A O no hydrogen 2.785 N/A ALA 531.A N ARG 527.A O no hydrogen 3.048 N/A ALA 532.A N GLU 528.A O no hydrogen 3.044 N/A LEU 533.A N GLY 529.A O no hydrogen 3.241 N/A GLN 534.A N MET 530.A O no hydrogen 3.001 N/A SER 535.A N ALA 531.A O no hydrogen 2.856 N/A SER 535.A OG ALA 531.A O no hydrogen 2.962 N/A TRP 538.A N ASP 536.A OD1 no hydrogen 2.861 N/A GLN 539.A N ASP 536.A O no hydrogen 3.283 N/A GLN 539.A NE2 TYR 543.A OH no hydrogen 3.009 N/A LEU 542.A N TRP 538.A O no hydrogen 3.044 N/A TYR 543.A N GLN 539.A O no hydrogen 3.086 N/A ARG 544.A N GLN 540.A O no hydrogen 3.009 N/A ASN 545.A N GLU 541.A O no hydrogen 2.947 N/A PHE 546.A N LEU 542.A O no hydrogen 2.845 N/A LYS 547.A N TYR 543.A O no hydrogen 3.239 N/A SER 548.A N ARG 544.A O no hydrogen 2.965 N/A SER 548.A OG ARG 544.A O no hydrogen 3.082 N/A ILE 549.A N ASN 545.A O no hydrogen 2.785 N/A SER 550.A N PHE 546.A O no hydrogen 3.009 N/A LYS 551.A N LYS 547.A O no hydrogen 2.928 N/A ALA 552.A N SER 548.A O no hydrogen 3.064 N/A LEU 553.A N ILE 549.A O no hydrogen 3.048 N/A VAL 554.A N SER 550.A O no hydrogen 2.928 N/A GLU 555.A N LYS 551.A O no hydrogen 2.988 N/A ARG 556.A N ALA 552.A O no hydrogen 3.172 N/A ARG 556.A NH1 ARG 556.A O no hydrogen 2.838 N/A GLY 557.A N LEU 553.A O no hydrogen 2.754 N/A GLY 558.A N LEU 553.A O no hydrogen 3.130 N/A SER 562.A OG ASN 563.A O no hydrogen 3.540 N/A ASN 563.A ND2 PHE 567.A O no hydrogen 2.908 N/A LEU 565.A N ASN 563.A OD1 no hydrogen 2.851 N/A GLY 566.A N ASN 563.A O no hydrogen 2.973 N/A