Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ld2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N ASN 2.A O no hydrogen 2.981 N/A ILE 6.A N ASN 2.A O no hydrogen 3.154 N/A GLY 7.A N MET 3.A O no hydrogen 2.852 N/A ARG 9.A NH1 CYS 147.A O no hydrogen 3.124 N/A ARG 9.A NH1 TYR 253.A O no hydrogen 2.853 N/A ARG 9.A NH1 ASN 257.A O no hydrogen 3.127 N/A ARG 9.A NH2 ILE 5.A O no hydrogen 3.132 N/A ARG 9.A NH2 ASN 257.A O no hydrogen 2.913 N/A ILE 10.A N ILE 6.A O no hydrogen 3.143 N/A GLU 11.A N GLY 7.A O no hydrogen 2.910 N/A ARG 12.A N ASN 8.A O no hydrogen 3.049 N/A ILE 13.A N ARG 9.A O no hydrogen 3.153 N/A ARG 14.A N ILE 10.A O no hydrogen 3.026 N/A SER 15.A N GLU 11.A O no hydrogen 2.897 N/A SER 15.A OG GLU 11.A O no hydrogen 3.089 N/A GLU 16.A N ARG 12.A O no hydrogen 3.298 N/A GLU 16.A N ILE 13.A O no hydrogen 3.047 N/A HIS 17.A N ARG 14.A O no hydrogen 3.190 N/A HIS 17.A ND1 ILE 13.A O no hydrogen 3.308 N/A THR 20.A N HIS 17.A O no hydrogen 3.248 N/A TRP 21.A N HIS 17.A O no hydrogen 2.934 N/A PHE 22.A N SER 37.A O no hydrogen 2.854 N/A ASP 24.A N TYR 34.A OH no hydrogen 2.899 N/A ASN 26.A N ASP 24.A OD1 no hydrogen 2.981 N/A HIS 27.A N ASP 24.A O no hydrogen 3.171 N/A HIS 27.A ND1 ASP 24.A O no hydrogen 3.078 N/A TYR 29.A OH ASP 271.A OD2 no hydrogen 2.613 N/A ARG 30.A N ASP 75.A OD2 no hydrogen 3.069 N/A THR 31.A N ASP 75.A OD1 no hydrogen 2.838 N/A THR 31.A OG1 ASP 75.A OD1 no hydrogen 2.629 N/A TRP 32.A NE1 VAL 74.A O no hydrogen 3.203 N/A ALA 33.A N SER 274.A O no hydrogen 2.960 N/A TYR 34.A OH SER 37.A OG no hydrogen 2.493 N/A HIS 35.A N ILE 272.A O no hydrogen 2.899 N/A SER 37.A N PHE 22.A O no hydrogen 2.849 N/A SER 37.A OG TYR 34.A OH no hydrogen 2.493 N/A SER 37.A OG ASP 271.A OD1 no hydrogen 2.643 N/A TYR 38.A N MET 270.A O no hydrogen 3.031 N/A GLU 39.A N THR 20.A OG1 no hydrogen 3.134 N/A ALA 40.A N THR 268.A O no hydrogen 3.186 N/A ASN 44.A N ARG 419.A O no hydrogen 2.840 N/A ASN 44.A ND2 THR 431.A O no hydrogen 3.061 N/A VAL 47.A N ASN 44.A OD1 no hydrogen 3.038 N/A ARG 48.A N ASN 44.A O no hydrogen 2.950 N/A LEU 49.A N GLY 45.A O no hydrogen 2.905 N/A LEU 50.A N VAL 46.A O no hydrogen 3.249 N/A LEU 50.A N VAL 47.A O no hydrogen 3.046 N/A SER 51.A N ARG 48.A O no hydrogen 3.139 N/A SER 51.A OG VAL 47.A O no hydrogen 2.662 N/A SER 51.A OG ARG 48.A O no hydrogen 3.511 N/A TRP 54.A N SER 51.A O no hydrogen 2.915 N/A ASP 55.A N LYS 52.A O no hydrogen 2.934 N/A VAL 57.A N TRP 54.A O no hydrogen 3.469 N/A VAL 60.A N VAL 57.A O no hydrogen 2.996 N/A THR 61.A N VAL 57.A O no hydrogen 3.182 N/A THR 61.A OG1 VAL 57.A O no hydrogen 3.453 N/A GLY 62.A N THR 58.A O no hydrogen 2.894 N/A ILE 63.A N VAL 60.A O no hydrogen 3.283 N/A ALA 64.A N THR 61.A O no hydrogen 3.344 N/A GLN 67.A NE2 TYR 29.A OH no hydrogen 3.053 N/A GLN 67.A NE2 LEU 263.A O no hydrogen 3.046 N/A VAL 69.A N GLY 65.A O no hydrogen 3.151 N/A PHE 70.A N GLN 66.A O no hydrogen 3.010 N/A LYS 71.A N GLN 67.A O no hydrogen 2.898 N/A GLU 72.A N ARG 68.A O no hydrogen 3.207 N/A LYS 73.A N VAL 69.A O no hydrogen 2.892 N/A VAL 74.A N PHE 70.A O no hydrogen 3.055 N/A ASP 75.A N PHE 70.A O no hydrogen 2.823 N/A ARG 77.A NH2 THR 31.A O no hydrogen 2.763 N/A GLN 82.A N ASP 363.A OD2 no hydrogen 2.809 N/A THR 85.A N LEU 314.A O no hydrogen 3.129 N/A THR 85.A OG1 ASP 363.A OD2 no hydrogen 2.774 N/A ARG 86.A N GLN 82.A O no hydrogen 3.003 N/A ARG 86.A NE PRO 81.A O no hydrogen 2.920 N/A GLN 87.A N GLU 83.A O no hydrogen 2.916 N/A GLN 87.A NE2 LEU 317.A O no hydrogen 3.588 N/A VAL 88.A N GLY 84.A O no hydrogen 2.926 N/A MET 89.A N THR 85.A O no hydrogen 2.899 N/A SER 90.A N ARG 86.A O no hydrogen 3.004 N/A SER 90.A OG ARG 86.A O no hydrogen 3.141 N/A SER 90.A OG ASN 231.A OD1 no hydrogen 2.979 N/A MET 91.A N GLN 87.A O no hydrogen 2.926 N/A VAL 92.A N VAL 88.A O no hydrogen 2.911 N/A SER 93.A N MET 89.A O no hydrogen 2.937 N/A SER 93.A OG MET 89.A O no hydrogen 2.778 N/A SER 94.A N SER 90.A O no hydrogen 2.883 N/A TRP 95.A N MET 91.A O no hydrogen 3.010 N/A LEU 96.A N VAL 92.A O no hydrogen 2.855 N/A TRP 97.A N SER 93.A O no hydrogen 2.910 N/A TRP 97.A NE1 ASN 231.A O no hydrogen 3.032 N/A LYS 98.A N SER 94.A O no hydrogen 3.120 N/A LYS 98.A NZ SER 94.A OG no hydrogen 2.765 N/A GLU 99.A N TRP 95.A O no hydrogen 3.002 N/A LEU 100.A N LEU 96.A O no hydrogen 2.874 N/A GLY 101.A N TRP 97.A O no hydrogen 2.975 N/A LYS 102.A N GLU 99.A O no hydrogen 3.272 N/A LYS 104.A NZ ASP 177.A O no hydrogen 2.897 N/A ARG 105.A NH2 LYS 102.A O no hydrogen 3.305 N/A ARG 105.A NH2 LYS 104.A O no hydrogen 3.181 N/A ARG 107.A NE ASP 177.A OD1 no hydrogen 3.355 N/A ARG 107.A NE ASP 177.A OD2 no hydrogen 2.813 N/A ARG 107.A NH1 GLU 113.A OE1 no hydrogen 2.855 N/A ARG 107.A NH1 GLU 113.A OE2 no hydrogen 3.411 N/A ARG 107.A NH2 GLU 113.A OE2 no hydrogen 2.872 N/A ARG 107.A NH2 ASP 177.A OD1 no hydrogen 3.228 N/A CYS 109.A N GLU 169.A O no hydrogen 2.959 N/A THR 110.A N GLU 113.A OE1 no hydrogen 3.105 N/A THR 110.A OG1 GLU 113.A OE1 no hydrogen 3.534 N/A GLU 113.A N THR 110.A OG1 no hydrogen 3.093 N/A PHE 114.A N THR 110.A O no hydrogen 3.038 N/A ILE 115.A N LYS 111.A O no hydrogen 2.913 N/A ASN 116.A N GLU 112.A O no hydrogen 2.939 N/A LYS 117.A N GLU 113.A O no hydrogen 3.225 N/A LYS 117.A NZ GLU 176.A OE2 no hydrogen 2.743 N/A VAL 118.A N PHE 114.A O no hydrogen 3.107 N/A SER 120.A N VAL 118.A O no hydrogen 2.923 N/A SER 120.A OG LYS 117.A O no hydrogen 3.395 N/A ASP 125.A N ALA 122.A O no hydrogen 3.256 N/A ARG 127.A N ASP 125.A OD1 no hydrogen 3.036 N/A PHE 128.A N ASP 125.A O no hydrogen 3.183 N/A TRP 129.A NE1 VAL 123.A O no hydrogen 2.660 N/A ALA 130.A N PRO 126.A O no hydrogen 3.139 N/A LEU 131.A N ARG 127.A O no hydrogen 3.208 N/A VAL 132.A N PHE 128.A O no hydrogen 3.075 N/A ASP 133.A N TRP 129.A O no hydrogen 2.990 N/A LYS 134.A N ALA 130.A O no hydrogen 3.022 N/A GLU 135.A N LEU 131.A O no hydrogen 3.073 N/A ARG 136.A N VAL 132.A O no hydrogen 2.990 N/A ARG 136.A NE GLU 169.A OE1 no hydrogen 3.180 N/A ARG 136.A NE GLU 169.A OE2 no hydrogen 2.857 N/A ARG 136.A NH1 ASP 133.A OD1 no hydrogen 3.310 N/A ARG 136.A NH2 GLU 169.A OE1 no hydrogen 2.755 N/A GLU 137.A N ASP 133.A O no hydrogen 3.054 N/A HIS 138.A N LYS 134.A O no hydrogen 3.224 N/A HIS 139.A N GLU 135.A O no hydrogen 3.020 N/A LEU 140.A N ARG 136.A O no hydrogen 2.914 N/A ARG 141.A N HIS 138.A O no hydrogen 2.975 N/A ARG 141.A NH1 GLU 137.A OE2 no hydrogen 2.830 N/A GLY 142.A N HIS 139.A O no hydrogen 3.084 N/A GLU 143.A N HIS 138.A O no hydrogen 2.944 N/A CYS 144.A SG GLU 135.A OE1 no hydrogen 3.300 N/A CYS 144.A SG HIS 139.A NE2 no hydrogen 3.885 N/A GLN 145.A N GLU 135.A OE1 no hydrogen 2.990 N/A GLN 145.A N GLU 135.A OE2 no hydrogen 3.434 N/A SER 146.A N GLU 135.A OE1 no hydrogen 3.245 N/A CYS 147.A SG GLU 135.A OE1 no hydrogen 3.729 N/A CYS 147.A SG HIS 139.A NE2 no hydrogen 3.511 N/A VAL 148.A N SER 146.A O no hydrogen 2.933 N/A TYR 149.A N VAL 259.A O no hydrogen 2.990 N/A TYR 149.A OH THR 254.A O no hydrogen 2.541 N/A TYR 149.A OH GLN 283.A OE1 no hydrogen 2.601 N/A ASN 150.A N TYR 158.A O no hydrogen 2.733 N/A MET 151.A N LYS 261.A O no hydrogen 2.887 N/A MET 152.A N ILE 156.A O no hydrogen 2.896 N/A ILE 156.A N MET 152.A O no hydrogen 3.222 N/A TRP 157.A N SER 281.A O no hydrogen 3.136 N/A TYR 158.A N ASN 150.A O no hydrogen 2.892 N/A ALA 163.A N TRP 160.A O no hydrogen 3.055 N/A ARG 164.A N TRP 160.A O no hydrogen 3.313 N/A ARG 164.A NH2 TRP 157.A O no hydrogen 2.979 N/A PHE 165.A N LEU 161.A O no hydrogen 2.869 N/A LEU 166.A N GLY 162.A O no hydrogen 3.042 N/A GLU 167.A N ALA 163.A O no hydrogen 2.974 N/A PHE 168.A N ARG 164.A O no hydrogen 2.863 N/A GLU 169.A N PHE 165.A O no hydrogen 2.776 N/A ALA 170.A N LEU 166.A O no hydrogen 3.259 N/A LEU 171.A N GLU 167.A O no hydrogen 2.828 N/A GLY 172.A N PHE 168.A O no hydrogen 2.837 N/A LEU 174.A N LEU 171.A O no hydrogen 3.100 N/A ASN 175.A N GLY 172.A O no hydrogen 2.909 N/A ASN 175.A ND2 VAL 284.A O no hydrogen 2.976 N/A GLU 176.A N GLY 172.A O no hydrogen 2.909 N/A ASP 177.A N PHE 173.A O no hydrogen 2.906 N/A HIS 178.A N ASN 175.A O no hydrogen 3.062 N/A HIS 178.A ND1 GLU 190.A OE1 no hydrogen 2.737 N/A TRP 179.A N LEU 174.A O no hydrogen 2.942 N/A GLY 181.A N HIS 178.A O no hydrogen 3.053 N/A ARG 182.A NH1 GLY 188.A O no hydrogen 2.977 N/A ARG 182.A NH1 MET 338.A O no hydrogen 2.989 N/A ARG 182.A NH2 MET 338.A O no hydrogen 2.919 N/A GLU 183.A N GLU 183.A OE2 no hydrogen 2.852 N/A ASN 184.A ND2 LEU 100.A O no hydrogen 2.940 N/A ASN 184.A ND2 TRP 179.A O no hydrogen 2.972 N/A SER 185.A N GLY 181.A O no hydrogen 2.950 N/A SER 185.A OG MET 180.A O no hydrogen 3.345 N/A SER 185.A OG GLY 181.A O no hydrogen 2.802 N/A GLY 186.A N ARG 182.A O no hydrogen 2.884 N/A GLY 187.A N SER 185.A O no hydrogen 2.777 N/A GLY 188.A N SER 185.A OG no hydrogen 2.946 N/A GLU 190.A N MET 180.A O no hydrogen 3.375 N/A LEU 192.A N VAL 189.A O no hydrogen 3.171 N/A LEU 194.A N HIS 478.A O no hydrogen 3.050 N/A GLN 195.A N GLN 195.A OE1 no hydrogen 2.790 N/A GLN 195.A NE2 GLU 482.A OE2 no hydrogen 2.821 N/A ARG 196.A N GLY 193.A O no hydrogen 2.831 N/A ARG 196.A NH1 VAL 496.A O no hydrogen 2.532 N/A ARG 196.A NH2 GLN 195.A O no hydrogen 3.501 N/A ARG 196.A NH2 VAL 496.A O no hydrogen 3.173 N/A LEU 197.A N GLY 193.A O no hydrogen 3.299 N/A VAL 200.A N ARG 196.A O no hydrogen 3.332 N/A LEU 201.A N LEU 197.A O no hydrogen 3.103 N/A GLU 202.A N GLY 198.A O no hydrogen 2.921 N/A GLU 203.A N TYR 199.A O no hydrogen 2.892 N/A MET 204.A N VAL 200.A O no hydrogen 2.920 N/A SER 205.A N LEU 201.A O no hydrogen 2.947 N/A SER 205.A OG GLU 202.A O no hydrogen 2.638 N/A ARG 206.A N GLU 203.A O no hydrogen 3.143 N/A ILE 207.A N MET 204.A O no hydrogen 3.007 N/A GLY 210.A N PRO 349.A O no hydrogen 2.883 N/A ARG 211.A N ASP 352.A OD1 no hydrogen 2.859 N/A ARG 211.A NE ASP 381.A OD1 no hydrogen 2.987 N/A MET 212.A N TRP 380.A O.A no hydrogen 3.047 N/A MET 212.A N TRP 380.A O.B no hydrogen 3.083 N/A TYR 213.A N VAL 347.A O no hydrogen 2.855 N/A TYR 213.A OH ASP 352.A OD1 no hydrogen 2.620 N/A ALA 218.A N VAL 367.A O no hydrogen 3.064 N/A TRP 220.A NE1 ASN 290.A OD1 no hydrogen 2.864 N/A THR 222.A OG1 GLY 219.A O no hydrogen 2.666 N/A ARG 223.A N GLY 219.A O no hydrogen 3.250 N/A ARG 223.A N TRP 220.A O no hydrogen 2.924 N/A ARG 223.A NE ALA 218.A O no hydrogen 3.170 N/A ARG 223.A NH2 GLY 365.A O no hydrogen 3.025 N/A ILE 224.A N ASP 221.A O no hydrogen 3.414 N/A SER 225.A N ASP 228.A OD2 no hydrogen 2.949 N/A ASP 228.A N SER 225.A OG no hydrogen 3.001 N/A LEU 229.A N SER 225.A O no hydrogen 3.035 N/A GLU 230.A N ARG 226.A O no hydrogen 2.978 N/A ASN 231.A N PHE 227.A O no hydrogen 2.974 N/A GLU 232.A N ASP 228.A O no hydrogen 2.867 N/A ALA 233.A N LEU 229.A O no hydrogen 3.023 N/A LEU 234.A N ASN 231.A O no hydrogen 3.216 N/A ILE 235.A N GLU 232.A O no hydrogen 3.500 N/A THR 236.A N ALA 233.A O no hydrogen 3.010 N/A THR 236.A OG1 ALA 233.A O no hydrogen 2.991 N/A ASN 237.A N LEU 234.A O no hydrogen 3.100 N/A GLN 238.A N ILE 235.A O no hydrogen 3.022 N/A GLN 238.A NE2 TRP 97.A O no hydrogen 2.967 N/A MET 239.A N THR 236.A O no hydrogen 3.123 N/A LYS 241.A NZ LYS 241.A O no hydrogen 3.439 N/A GLY 242.A N GLU 240.A OE2 no hydrogen 3.164 N/A HIS 243.A N GLU 240.A OE1 no hydrogen 3.068 N/A HIS 243.A NE2 ALA 170.A O no hydrogen 2.715 N/A ARG 244.A N GLU 240.A O no hydrogen 2.848 N/A ARG 244.A NE THR 236.A O no hydrogen 3.159 N/A ARG 244.A NH1 MET 239.A O no hydrogen 2.825 N/A ALA 245.A N LYS 241.A O no hydrogen 3.031 N/A LEU 246.A N GLY 242.A O no hydrogen 3.403 N/A ALA 247.A N HIS 243.A O no hydrogen 2.963 N/A LEU 248.A N ARG 244.A O no hydrogen 2.825 N/A ALA 249.A N ALA 245.A O no hydrogen 3.372 N/A ILE 250.A N LEU 246.A O no hydrogen 3.252 N/A ILE 251.A N ALA 247.A O no hydrogen 2.920 N/A LYS 252.A N LEU 248.A O no hydrogen 2.937 N/A LYS 252.A NZ TYR 253.A OH no hydrogen 3.262 N/A TYR 253.A N ALA 249.A O no hydrogen 3.003 N/A THR 254.A N ILE 250.A O no hydrogen 2.842 N/A TYR 255.A N ILE 250.A O no hydrogen 3.282 N/A TYR 255.A OH GLU 167.A OE1 no hydrogen 2.672 N/A GLN 256.A N ILE 251.A O no hydrogen 2.817 N/A ASN 257.A ND2 LYS 252.A O no hydrogen 2.955 N/A LYS 258.A N ARG 275.A O no hydrogen 3.201 N/A LYS 258.A NZ TYR 255.A O no hydrogen 2.818 N/A LYS 258.A NZ ARG 275.A O no hydrogen 3.482 N/A LYS 258.A NZ ASP 277.A O no hydrogen 2.810 N/A LYS 258.A NZ GLN 278.A O no hydrogen 3.214 N/A VAL 260.A N ILE 273.A O no hydrogen 2.828 N/A LYS 261.A N TYR 149.A O no hydrogen 2.846 N/A LYS 261.A NZ TYR 38.A OH no hydrogen 3.361 N/A VAL 262.A N ASP 271.A O no hydrogen 2.914 N/A ARG 264.A N VAL 269.A O no hydrogen 2.857 N/A ARG 264.A NE ASP 271.A OD2 no hydrogen 2.773 N/A ARG 264.A NH1 ASP 24.A OD2 no hydrogen 2.986 N/A ARG 264.A NH1 ASP 271.A OD1 no hydrogen 3.005 N/A ARG 264.A NH2 ASP 24.A OD2 no hydrogen 3.136 N/A MET 270.A N TYR 38.A O no hydrogen 2.856 N/A ASP 271.A N VAL 262.A O no hydrogen 2.794 N/A ILE 272.A N GLY 36.A O no hydrogen 2.802 N/A ILE 273.A N VAL 260.A O no hydrogen 2.916 N/A SER 274.A N ALA 33.A O no hydrogen 2.928 N/A ARG 275.A N LYS 258.A O no hydrogen 3.250 N/A ARG 275.A NH1 VAL 74.A O no hydrogen 3.497 N/A ARG 275.A NH1 THR 76.A O no hydrogen 3.492 N/A ARG 275.A NH2 THR 76.A O no hydrogen 2.650 N/A GLN 278.A N ILE 224.A O no hydrogen 2.835 N/A ARG 279.A N ASP 221.A O no hydrogen 2.869 N/A ARG 279.A NE ASN 290.A OD1 no hydrogen 2.823 N/A ARG 279.A NH1 GLU 232.A OE1 no hydrogen 2.768 N/A ARG 279.A NH1 GLU 232.A OE2 no hydrogen 3.546 N/A ARG 279.A NH2 GLU 232.A OE1 no hydrogen 3.519 N/A ARG 279.A NH2 GLU 232.A OE2 no hydrogen 2.752 N/A ARG 279.A NH2 ASN 290.A OD1 no hydrogen 2.880 N/A SER 281.A OG ASP 221.A OD2 no hydrogen 2.588 N/A VAL 284.A N GLU 167.A OE2 no hydrogen 2.873 N/A VAL 285.A N GLU 167.A OE1 no hydrogen 3.029 N/A THR 286.A N GLN 283.A O no hydrogen 3.285 N/A THR 286.A OG1 GLN 283.A O no hydrogen 3.121 N/A TYR 287.A OH SER 341.A OG no hydrogen 2.759 N/A LEU 289.A N VAL 285.A O no hydrogen 2.951 N/A ASN 290.A N THR 286.A O no hydrogen 2.834 N/A ASN 290.A ND2 ASP 221.A OD1 no hydrogen 3.015 N/A THR 291.A N TYR 287.A O no hydrogen 2.925 N/A THR 291.A OG1 TYR 287.A O no hydrogen 2.870 N/A PHE 292.A N ALA 288.A O no hydrogen 2.942 N/A THR 293.A N LEU 289.A O no hydrogen 2.984 N/A THR 293.A OG1 GLU 232.A OE2 no hydrogen 2.591 N/A THR 293.A OG1 LEU 289.A O no hydrogen 3.557 N/A ASN 294.A N ASN 290.A O no hydrogen 2.871 N/A ASN 294.A ND2 GLY 342.A O no hydrogen 3.019 N/A LEU 295.A N THR 291.A O no hydrogen 2.874 N/A VAL 296.A N PHE 292.A O no hydrogen 3.012 N/A VAL 297.A N THR 293.A O no hydrogen 2.879 N/A GLN 298.A N ASN 294.A O no hydrogen 2.953 N/A GLN 298.A NE2 ASN 294.A OD1 no hydrogen 2.956 N/A LEU 299.A N LEU 295.A O no hydrogen 2.977 N/A ILE 300.A N VAL 296.A O no hydrogen 2.985 N/A ARG 301.A N VAL 297.A O no hydrogen 2.892 N/A ARG 301.A NE PHE 354.A O no hydrogen 3.161 N/A ARG 301.A NH1 ASP 215.A OD2 no hydrogen 2.910 N/A ARG 301.A NH2 PHE 354.A O no hydrogen 2.944 N/A ARG 301.A NH2 ALA 355.A O no hydrogen 3.316 N/A ARG 301.A NH2 SER 377.A OG no hydrogen 2.817 N/A ASN 302.A N GLN 298.A O no hydrogen 2.986 N/A ASN 302.A ND2 GLN 298.A O no hydrogen 2.896 N/A MET 303.A N LEU 299.A O no hydrogen 2.958 N/A GLU 304.A N ILE 300.A O no hydrogen 2.959 N/A ALA 305.A N ARG 301.A O no hydrogen 2.913 N/A GLU 306.A N ASN 302.A O no hydrogen 2.838 N/A GLU 307.A N GLU 304.A O no hydrogen 2.927 N/A VAL 308.A N MET 303.A O no hydrogen 2.901 N/A LEU 309.A N MET 303.A O no hydrogen 3.331 N/A GLU 310.A N ASP 313.A OD2 no hydrogen 2.838 N/A ASP 313.A N GLU 310.A O no hydrogen 2.922 N/A LEU 314.A N MET 311.A O no hydrogen 3.309 N/A LEU 317.A N GLN 87.A OE1 no hydrogen 2.944 N/A ARG 319.A NE GLU 321.A OE1 no hydrogen 2.827 N/A GLU 321.A N GLU 321.A OE1 no hydrogen 2.893 N/A LYS 322.A NZ GLU 307.A O no hydrogen 3.408 N/A LYS 322.A NZ VAL 308.A O no hydrogen 3.311 N/A THR 324.A N SER 320.A O no hydrogen 3.174 N/A THR 324.A OG1 SER 320.A O no hydrogen 3.536 N/A ASN 325.A N GLU 321.A O no hydrogen 2.902 N/A TRP 326.A N LYS 322.A O no hydrogen 2.996 N/A TRP 326.A NE1 GLU 306.A OE1 no hydrogen 2.819 N/A LEU 327.A N VAL 323.A O no hydrogen 2.882 N/A GLN 328.A N THR 324.A O no hydrogen 2.886 N/A SER 329.A N ASN 325.A O no hydrogen 2.861 N/A SER 329.A OG ASN 325.A O no hydrogen 2.759 N/A SER 329.A OG ASN 325.A OD1 no hydrogen 3.427 N/A ASN 330.A N TRP 326.A O no hydrogen 2.722 N/A GLY 331.A N LEU 327.A O no hydrogen 2.922 N/A TRP 332.A NE1.A GLU 99.A OE1 no hydrogen 2.499 N/A ARG 334.A N ASN 330.A O no hydrogen 2.958 N/A ARG 334.A NE GLU 306.A OE2 no hydrogen 2.830 N/A ARG 334.A NH1 ASP 333.A OD2 no hydrogen 2.811 N/A ARG 334.A NH2 GLU 306.A OE1 no hydrogen 2.887 N/A ARG 334.A NH2 GLU 306.A OE2 no hydrogen 3.454 N/A LEU 335.A N GLY 331.A O no hydrogen 2.856 N/A LYS 336.A N TRP 332.A O.A no hydrogen 3.041 N/A LYS 336.A N TRP 332.A O.B no hydrogen 3.030 N/A ARG 337.A N ASP 333.A O no hydrogen 3.260 N/A ARG 337.A N ARG 334.A O no hydrogen 3.079 N/A ARG 337.A NE ASP 333.A OD2 no hydrogen 2.898 N/A ARG 337.A NH1 PRO 208.A O no hydrogen 2.922 N/A ARG 337.A NH1 LYS 348.A O no hydrogen 2.974 N/A ARG 337.A NH2 PRO 208.A O no hydrogen 2.864 N/A MET 338.A N LEU 335.A O no hydrogen 3.023 N/A ALA 339.A N VAL 346.A O no hydrogen 2.860 N/A VAL 340.A N GLY 187.A O no hydrogen 2.840 N/A SER 341.A N ASP 344.A O no hydrogen 2.802 N/A SER 341.A OG TYR 287.A OH no hydrogen 2.759 N/A SER 341.A OG HIS 478.A NE2 no hydrogen 2.660 N/A GLY 342.A N THR 291.A OG1 no hydrogen 2.840 N/A ASP 344.A N SER 341.A O no hydrogen 2.962 N/A VAL 346.A N ALA 339.A O no hydrogen 2.863 N/A VAL 347.A N TYR 213.A O no hydrogen 2.838 N/A LYS 348.A N ARG 337.A O no hydrogen 2.760 N/A LYS 348.A NZ ILE 207.A O no hydrogen 2.811 N/A LYS 348.A NZ GLY 210.A O no hydrogen 2.761 N/A ARG 353.A N ASP 351.A OD1 no hydrogen 2.964 N/A ARG 353.A NE ASP 351.A OD1 no hydrogen 2.986 N/A ARG 353.A NE ASP 351.A OD2 no hydrogen 3.214 N/A ARG 353.A NH1 GLU 307.A OE2 no hydrogen 2.984 N/A ARG 353.A NH2 ASP 351.A OD2 no hydrogen 2.920 N/A ALA 355.A N ASP 352.A O no hydrogen 3.046 N/A HIS 356.A N ARG 353.A O no hydrogen 3.058 N/A ALA 357.A N PHE 354.A O no hydrogen 3.152 N/A ARG 359.A N GLU 304.A OE1 no hydrogen 2.886 N/A PHE 360.A N GLU 304.A OE2 no hydrogen 2.801 N/A ASN 362.A N LEU 358.A O no hydrogen 2.870 N/A ASN 362.A ND2 GLU 373.A O no hydrogen 3.033 N/A ASP 363.A N ARG 359.A O no hydrogen 2.915 N/A MET 364.A N PHE 360.A O no hydrogen 2.860 N/A GLY 365.A N ASN 362.A O no hydrogen 2.961 N/A LYS 366.A N LEU 361.A O no hydrogen 3.048 N/A LYS 366.A NZ ARG 223.A O no hydrogen 2.858 N/A LYS 366.A NZ ASP 228.A OD2 no hydrogen 2.709 N/A LYS 366.A NZ MET 364.A O no hydrogen 3.135 N/A ARG 368.A NH1 LYS 375.A O no hydrogen 2.876 N/A ARG 368.A NH1 SER 377.A OG no hydrogen 2.843 N/A ARG 368.A NH2 GLU 373.A O no hydrogen 2.916 N/A ARG 368.A NH2 LYS 375.A O no hydrogen 2.728 N/A LYS 369.A N ASP 216.A O.A no hydrogen 2.845 N/A LYS 369.A N ASP 216.A O.B no hydrogen 2.862 N/A LYS 375.A N GLN 372.A O no hydrogen 2.897 N/A SER 377.A N ALA 355.A O no hydrogen 2.893 N/A SER 377.A OG ASP 215.A OD2 no hydrogen 2.501 N/A TRP 380.A N.A MET 212.A O no hydrogen 2.808 N/A TRP 380.A N.B MET 212.A O no hydrogen 2.811 N/A GLU 384.A N ASN 382.A OD1 no hydrogen 2.943 N/A GLU 385.A N ASN 382.A O no hydrogen 2.969 N/A VAL 386.A N TRP 383.A O no hydrogen 3.265 N/A PHE 388.A N HIS 391.A O no hydrogen 2.870 N/A HIS 391.A N PHE 388.A O no hydrogen 2.991 N/A HIS 391.A ND1 CYS 389.A O no hydrogen 2.787 N/A HIS 391.A NE2 TYR 446.A OH no hydrogen 2.653 N/A HIS 392.A N CYS 408.A O no hydrogen 2.899 N/A ASN 394.A N VAL 406.A O no hydrogen 2.926 N/A LYS 395.A N GLU 384.A OE1 no hydrogen 2.855 N/A LYS 395.A NZ GLU 202.A OE2 no hydrogen 2.730 N/A LEU 396.A N ILE 404.A O no hydrogen 2.834 N/A HIS 397.A ND1 GLY 401.A O no hydrogen 3.277 N/A LEU 398.A N ARG 402.A O no hydrogen 2.784 N/A LYS 399.A N ASP 515.A O no hydrogen 3.025 N/A GLY 401.A N LEU 398.A O no hydrogen 2.864 N/A ARG 402.A N ASP 400.A OD1 no hydrogen 3.111 N/A ARG 402.A NE ASP 400.A OD1 no hydrogen 2.994 N/A ARG 402.A NE ASP 400.A OD2 no hydrogen 3.284 N/A ARG 402.A NH1 ASP 506.A O no hydrogen 2.781 N/A ARG 402.A NH1 THR 508.A O no hydrogen 2.806 N/A ARG 402.A NH2 ASP 400.A OD2 no hydrogen 2.840 N/A ARG 402.A NH2 THR 508.A O no hydrogen 2.883 N/A ILE 404.A N LEU 396.A O no hydrogen 2.883 N/A VAL 405.A N TYR 199.A OH no hydrogen 3.134 N/A VAL 406.A N ASN 394.A O no hydrogen 2.854 N/A CYS 408.A N HIS 392.A O no hydrogen 2.842 N/A CYS 408.A SG HIS 392.A NE2 no hydrogen 3.615 N/A CYS 408.A SG ARG 409.A O no hydrogen 3.963 N/A ARG 409.A NE GLU 413.A OE2 no hydrogen 2.841 N/A ARG 409.A NH2 GLU 413.A OE2 no hydrogen 3.078 N/A GLN 411.A N CYS 527.A O no hydrogen 2.904 N/A GLN 411.A NE2 ASP 451.A OD2 no hydrogen 2.883 N/A ASP 412.A N HIS 410.A ND1 no hydrogen 3.200 N/A ILE 415.A N GLN 411.A O no hydrogen 3.065 N/A GLY 416.A N ASP 412.A O no hydrogen 2.876 N/A ARG 417.A N GLU 413.A O no hydrogen 3.097 N/A ALA 418.A N LEU 414.A O no hydrogen 3.171 N/A ARG 419.A N ILE 415.A O no hydrogen 3.052 N/A ARG 419.A NH1 SER 51.A OG no hydrogen 2.961 N/A ARG 419.A NH1 ASP 55.A OD1 no hydrogen 2.796 N/A ARG 419.A NH2 ASP 55.A OD1 no hydrogen 2.832 N/A VAL 420.A N ARG 417.A O no hydrogen 3.075 N/A SER 427.A N GLU 430.A OE2 no hydrogen 3.181 N/A ARG 429.A N SER 427.A OG no hydrogen 3.234 N/A THR 431.A N SER 427.A O no hydrogen 3.106 N/A THR 431.A OG1 SER 427.A O no hydrogen 2.827 N/A ALA 432.A N ILE 428.A O no hydrogen 2.758 N/A CYS 433.A N ARG 429.A O no hydrogen 2.901 N/A CYS 433.A SG ARG 429.A O no hydrogen 3.279 N/A CYS 433.A SG VAL 468.A O no hydrogen 3.342 N/A LEU 434.A N GLU 430.A O no hydrogen 3.051 N/A ALA 435.A N THR 431.A O no hydrogen 2.936 N/A LYS 436.A N ALA 432.A O no hydrogen 2.928 N/A LYS 436.A NZ PRO 464.A O no hydrogen 3.406 N/A LYS 436.A NZ VAL 465.A O no hydrogen 2.958 N/A LYS 436.A NZ TRP 467.A O no hydrogen 2.787 N/A SER 437.A N CYS 433.A O no hydrogen 3.069 N/A SER 437.A OG CYS 433.A O no hydrogen 3.075 N/A SER 437.A OG THR 470.A O no hydrogen 2.839 N/A TYR 438.A N LEU 434.A O no hydrogen 3.072 N/A TYR 438.A OH THR 473.A O no hydrogen 3.240 N/A ALA 439.A N ALA 435.A O no hydrogen 2.922 N/A GLN 440.A N LYS 436.A O no hydrogen 2.852 N/A MET 441.A N SER 437.A O no hydrogen 2.920 N/A TRP 442.A N TYR 438.A O no hydrogen 2.929 N/A GLN 443.A N ALA 439.A O no hydrogen 2.957 N/A GLN 443.A NE2 ASN 457.A OD1 no hydrogen 3.054 N/A LEU 444.A N GLN 440.A O no hydrogen 3.051 N/A LEU 444.A N MET 441.A O no hydrogen 3.154 N/A LEU 445.A N MET 441.A O no hydrogen 2.908 N/A TYR 446.A N TRP 442.A O no hydrogen 2.847 N/A TYR 446.A OH HIS 391.A NE2 no hydrogen 2.653 N/A HIS 448.A NE2 LEU 445.A O no hydrogen 3.073 N/A ARG 449.A N TYR 446.A O no hydrogen 3.049 N/A ARG 449.A NE ASP 524.A OD1 no hydrogen 2.787 N/A ARG 449.A NH1 ASP 524.A O no hydrogen 3.100 N/A ARG 449.A NH1 ASP 524.A OD1 no hydrogen 3.082 N/A ARG 449.A NH1 CYS 527.A O no hydrogen 2.890 N/A ARG 450.A N ASP 524.A OD2 no hydrogen 2.972 N/A ARG 450.A NH1 LEU 519.A O no hydrogen 2.863 N/A ARG 450.A NH1 ASP 524.A OD2 no hydrogen 2.886 N/A ARG 450.A NH2 LEU 519.A O no hydrogen 3.235 N/A ARG 453.A N ARG 449.A O no hydrogen 2.948 N/A ARG 453.A NE PHE 447.A O no hydrogen 2.876 N/A ARG 453.A NH1 TRP 513.A O no hydrogen 2.964 N/A ARG 453.A NH1 ILE 516.A O no hydrogen 3.345 N/A ARG 453.A NH2 PHE 447.A O no hydrogen 2.963 N/A ARG 453.A NH2 ILE 516.A O no hydrogen 2.912 N/A LEU 454.A N ARG 450.A O no hydrogen 3.210 N/A MET 455.A N ASP 451.A O no hydrogen 2.866 N/A ALA 456.A N LEU 452.A O no hydrogen 2.817 N/A ASN 457.A N ARG 453.A O no hydrogen 2.995 N/A ALA 458.A N LEU 454.A O no hydrogen 2.910 N/A ILE 459.A N MET 455.A O no hydrogen 2.862 N/A CYS 460.A N ALA 456.A O no hydrogen 2.890 N/A CYS 460.A SG GLN 443.A OE1 no hydrogen 3.928 N/A CYS 460.A SG ALA 456.A O no hydrogen 3.393 N/A SER 461.A N ASN 457.A O no hydrogen 2.924 N/A SER 461.A OG ASN 457.A O no hydrogen 2.678 N/A SER 462.A N ILE 459.A O no hydrogen 2.898 N/A SER 462.A OG ALA 458.A O no hydrogen 2.726 N/A VAL 465.A N LYS 559.A O no hydrogen 2.922 N/A TRP 467.A N PRO 464.A O no hydrogen 3.131 N/A THR 470.A N CYS 433.A O no hydrogen 3.360 N/A SER 476.A N THR 474.A OG1 no hydrogen 2.978 N/A HIS 478.A N SER 476.A OG no hydrogen 3.046 N/A HIS 478.A ND1 LEU 192.A O no hydrogen 2.612 N/A HIS 478.A NE2 SER 341.A OG no hydrogen 2.660 N/A GLY 479.A N SER 476.A O no hydrogen 3.073 N/A LYS 480.A NZ GLY 191.A O no hydrogen 2.987 N/A GLU 482.A N GLU 482.A OE1 no hydrogen 2.754 N/A MET 484.A N GLY 481.A O no hydrogen 2.967 N/A GLU 487.A N THR 485.A OG1 no hydrogen 2.972 N/A LEU 490.A N ASP 488.A OD1 no hydrogen 2.759 N/A VAL 492.A N ASP 488.A O no hydrogen 3.097 N/A TRP 493.A N MET 489.A O no hydrogen 2.819 N/A ASN 494.A N LEU 490.A O no hydrogen 2.980 N/A ASN 494.A ND2 LEU 490.A O no hydrogen 2.998 N/A ASN 494.A ND2 VAL 510.A O no hydrogen 2.842 N/A ARG 495.A N VAL 491.A O no hydrogen 3.040 N/A ARG 495.A NH1 GLU 487.A OE2 no hydrogen 3.074 N/A ARG 495.A NH2 GLU 487.A OE1 no hydrogen 2.780 N/A ARG 495.A NH2 GLU 487.A OE2 no hydrogen 3.543 N/A VAL 496.A N VAL 492.A O no hydrogen 2.958 N/A TRP 497.A N TRP 493.A O no hydrogen 2.846 N/A TRP 497.A NE1 LEU 444.A O no hydrogen 2.801 N/A ILE 498.A N ASN 494.A O no hydrogen 2.880 N/A GLU 499.A N ASN 494.A O no hydrogen 2.993 N/A GLU 500.A N ARG 495.A O no hydrogen 2.824 N/A ASN 501.A N ILE 498.A O no hydrogen 3.358 N/A ASN 501.A ND2 TYR 199.A OH no hydrogen 3.232 N/A ASN 501.A ND2 TRP 497.A O no hydrogen 2.863 N/A HIS 503.A N ASN 501.A OD1 no hydrogen 2.944 N/A HIS 503.A NE2 GLU 203.A OE2 no hydrogen 3.078 N/A MET 504.A N ASN 501.A O no hydrogen 3.000 N/A LYS 507.A NZ ILE 498.A O no hydrogen 2.784 N/A LYS 507.A NZ GLU 499.A O no hydrogen 3.397 N/A LYS 507.A NZ MET 504.A O no hydrogen 2.883 N/A THR 508.A N ASP 506.A OD1 no hydrogen 2.841 N/A THR 508.A OG1 ASP 506.A OD1 no hydrogen 2.653 N/A VAL 510.A N ASN 494.A OD1 no hydrogen 2.859 N/A LYS 512.A NZ ASP 515.A OD1 no hydrogen 3.484 N/A LYS 512.A NZ ASP 515.A OD2 no hydrogen 2.992 N/A ASP 515.A N LYS 512.A O no hydrogen 3.048 N/A ILE 516.A N TRP 513.A O no hydrogen 2.943 N/A LEU 519.A N HIS 448.A O no hydrogen 2.859 N/A ASP 524.A N GLY 520.A O no hydrogen 2.943 N/A LEU 525.A N LYS 521.A O no hydrogen 2.854 N/A TRP 526.A N ARG 522.A O no hydrogen 2.846 N/A CYS 527.A N GLU 523.A O no hydrogen 2.998 N/A CYS 527.A SG HIS 392.A NE2 no hydrogen 3.508 N/A GLY 528.A N LEU 525.A O no hydrogen 2.977 N/A SER 529.A N ASP 524.A O no hydrogen 2.872 N/A SER 529.A OG ASP 451.A OD1 no hydrogen 3.517 N/A SER 529.A OG ASP 451.A OD2 no hydrogen 3.349 N/A LEU 530.A N ASP 451.A OD2 no hydrogen 2.805 N/A ILE 531.A N.A SER 529.A OG no hydrogen 3.167 N/A ILE 531.A N.B SER 529.A OG no hydrogen 3.159 N/A HIS 533.A N LEU 530.A O no hydrogen 2.945 N/A ARG 536.A NE ASP 451.A OD1 no hydrogen 2.722 N/A ARG 536.A NH2 ASP 451.A OD1 no hydrogen 2.916 N/A THR 537.A N HIS 533.A O no hydrogen 3.018 N/A THR 537.A OG1 HIS 533.A O no hydrogen 3.366 N/A THR 538.A N ARG 534.A O no hydrogen 2.910 N/A THR 538.A OG1 ARG 534.A O no hydrogen 3.216 N/A TRP 539.A N PRO 535.A O no hydrogen 3.062 N/A TRP 539.A NE1 LEU 50.A O no hydrogen 2.873 N/A ALA 540.A N ARG 536.A O no hydrogen 2.911 N/A GLU 541.A N THR 537.A O no hydrogen 2.893 N/A ASN 542.A N THR 538.A O no hydrogen 2.866 N/A ILE 543.A N ALA 540.A O no hydrogen 3.327 N/A LYS 544.A NZ ASP 562.A OD1 no hydrogen 3.501 N/A ASN 545.A N.A ASN 542.A O no hydrogen 3.059 N/A THR 546.A N ASN 542.A O no hydrogen 3.196 N/A THR 546.A OG1 ASN 542.A O no hydrogen 3.205 N/A VAL 547.A N ILE 543.A O no hydrogen 2.918 N/A ASN 548.A N LYS 544.A O no hydrogen 2.977 N/A MET 549.A N ASN 545.A O.A no hydrogen 3.255 N/A MET 549.A N ASN 545.A O.B no hydrogen 3.023 N/A VAL 550.A N THR 546.A O no hydrogen 3.035 N/A ARG 551.A N VAL 547.A O no hydrogen 2.930 N/A ARG 551.A NE SER 461.A O no hydrogen 2.790 N/A ARG 551.A NH2 SER 461.A O no hydrogen 2.978 N/A ARG 551.A NH2 MET 561.A O no hydrogen 3.231 N/A ARG 552.A N ASN 548.A O no hydrogen 2.992 N/A ILE 553.A N MET 549.A O no hydrogen 3.186 N/A ILE 554.A N VAL 550.A O no hydrogen 2.925 N/A GLY 555.A N ARG 551.A O no hydrogen 2.779 N/A GLU 557.A N GLU 557.A OE1 no hydrogen 2.844 N/A GLU 558.A N GLY 555.A O no hydrogen 3.170 N/A TYR 560.A OH GLY 555.A O no hydrogen 2.761 N/A TYR 563.A N SER 461.A OG no hydrogen 2.855 N/A LEU 564.A N ASP 562.A OD1 no hydrogen 3.028 N/A SER 565.A N ASP 562.A OD1 no hydrogen 3.153 N/A SER 565.A OG ASP 562.A O no hydrogen 3.344 N/A