Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3usz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N GLN 279.A OE1 no hydrogen 3.049 N/A TRP 4.A NE1 GLU 231.A OE2 no hydrogen 2.868 N/A VAL 7.A N LEU 280.A O no hydrogen 2.858 N/A THR 9.A N ASN 247.A OD1 no hydrogen 3.233 N/A THR 9.A OG1 ASN 247.A OD1 no hydrogen 2.690 N/A LYS 12.A NZ LYS 10.A O no hydrogen 3.506 N/A ARG 13.A NE ASP 283.A OD2 no hydrogen 2.868 N/A ARG 13.A NH2 ASP 283.A OD1 no hydrogen 2.742 N/A VAL 17.A N ASP 14.A OD1 no hydrogen 3.414 N/A GLU 18.A N ASP 14.A O no hydrogen 2.984 N/A ALA 19.A N PRO 15.A O no hydrogen 2.879 N/A GLN 20.A N ALA 16.A O no hydrogen 3.256 N/A ILE 21.A N VAL 17.A O no hydrogen 3.077 N/A GLU 22.A N GLU 18.A O no hydrogen 2.947 N/A LYS 23.A N ALA 19.A O no hydrogen 2.971 N/A LEU 24.A N GLN 20.A O no hydrogen 2.791 N/A LEU 25.A N ILE 21.A O no hydrogen 2.816 N/A ALA 26.A N GLU 22.A O no hydrogen 3.049 N/A LYS 27.A N LEU 24.A O no hydrogen 3.244 N/A MET 28.A N LEU 25.A O no hydrogen 3.198 N/A THR 29.A N GLN 32.A OE1 no hydrogen 3.003 N/A GLU 31.A N GLU 31.A OE1 no hydrogen 2.910 N/A GLN 32.A N THR 29.A OG1 no hydrogen 3.199 N/A GLN 32.A NE2 ASP 94.A O no hydrogen 2.797 N/A LYS 33.A N THR 29.A O no hydrogen 3.033 N/A LYS 33.A NZ ASN 343.A OD1 no hydrogen 2.704 N/A VAL 34.A N ILE 30.A O no hydrogen 2.969 N/A ALA 35.A N GLU 31.A O no hydrogen 3.095 N/A GLN 36.A N GLN 32.A O no hydrogen 3.444 N/A GLN 36.A N LYS 33.A O no hydrogen 3.187 N/A MET 37.A N VAL 34.A O no hydrogen 2.949 N/A ILE 38.A N ALA 35.A O no hydrogen 3.277 N/A GLN 39.A N ILE 315.A O no hydrogen 3.010 N/A GLN 39.A NE2 SER 57.A OG no hydrogen 3.187 N/A GLU 41.A N PRO 318.A O no hydrogen 3.069 N/A ILE 42.A N LEU 59.A O no hydrogen 3.075 N/A GLY 43.A N GLU 41.A OE1 no hydrogen 2.723 N/A TYR 44.A N GLU 41.A O no hydrogen 2.903 N/A THR 46.A N GLN 49.A OE1 no hydrogen 2.981 N/A THR 46.A OG1 GLN 49.A OE1 no hydrogen 3.395 N/A GLN 49.A N THR 46.A OG1 no hydrogen 3.105 N/A GLN 49.A NE2 GLU 322.A OE1 no hydrogen 3.090 N/A MET 50.A N THR 46.A O no hydrogen 3.173 N/A ARG 51.A N VAL 47.A O no hydrogen 2.961 N/A ARG 51.A NH2.A ASP 90.A OD2 no hydrogen 2.502 N/A LYS 52.A N GLU 48.A O no hydrogen 2.913 N/A LYS 52.A NZ TYR 53.A OH no hydrogen 3.332 N/A TYR 53.A N GLN 49.A O no hydrogen 2.920 N/A TYR 53.A OH GLU 322.A OE2 no hydrogen 2.331 N/A TYR 53.A OH HIS 326.A NE2 no hydrogen 3.131 N/A GLY 54.A N MET 50.A O no hydrogen 2.829 N/A GLY 56.A N ALA 35.A O no hydrogen 3.050 N/A TYR 58.A N VAL 101.A O no hydrogen 2.953 N/A LEU 59.A N PRO 40.A O no hydrogen 2.882 N/A ASN 60.A N GLY 103.A O no hydrogen 2.776 N/A ASN 60.A ND2 THR 104.A OG1 no hydrogen 3.033 N/A ASN 60.A ND2 ASN 112.A OD1 no hydrogen 2.989 N/A GLY 61.A N GLU 41.A OE2 no hydrogen 2.847 N/A TYR 67.A OH GLU 83.A OE2 no hydrogen 2.561 N/A GLY 68.A N ALA 65.A O no hydrogen 2.980 N/A GLN 74.A NE2 ALA 147.A O no hydrogen 2.855 N/A ALA 75.A N ASP 73.A OD2 no hydrogen 2.849 N/A THR 76.A N ASP 73.A O no hydrogen 3.089 N/A TRP 77.A N ASP 73.A O no hydrogen 3.224 N/A LEU 78.A N GLN 74.A O no hydrogen 2.945 N/A LYS 79.A N ALA 75.A O no hydrogen 2.913 N/A TYR 80.A N THR 76.A O no hydrogen 3.124 N/A ALA 81.A N TRP 77.A O no hydrogen 3.015 N/A ASP 82.A N LEU 78.A O no hydrogen 2.903 N/A GLU 83.A N LYS 79.A O no hydrogen 2.952 N/A MET 84.A N TYR 80.A O no hydrogen 3.005 N/A TYR 85.A N ALA 81.A O no hydrogen 2.903 N/A LEU 86.A N ASP 82.A O no hydrogen 2.854 N/A ALA 87.A N GLU 83.A O no hydrogen 3.047 N/A ALA 88.A N MET 84.A O no hydrogen 3.060 N/A MET 89.A N TYR 85.A O no hydrogen 2.934 N/A ASP 90.A N ALA 87.A O no hydrogen 3.391 N/A THR 92.A N ASP 90.A OD1 no hydrogen 3.017 N/A THR 92.A OG1 ASP 90.A OD1 no hydrogen 2.760 N/A GLY 95.A N SER 91.A O no hydrogen 2.953 N/A THR 100.A OG1 PHE 55.A O no hydrogen 2.888 N/A TRP 102.A N GLU 151.A OE1 no hydrogen 2.816 N/A GLY 103.A N TYR 58.A O no hydrogen 2.921 N/A THR 104.A N TRP 152.A O no hydrogen 2.953 N/A ALA 106.A N PHE 154.A O no hydrogen 3.109 N/A MET 107.A N SER 111.A OG no hydrogen 3.126 N/A HIS 108.A ND1 PHE 119.A O no hydrogen 2.859 N/A HIS 108.A NE2 TRP 428.A O no hydrogen 2.744 N/A HIS 110.A NE2 THR 148.A OG1 no hydrogen 2.989 N/A SER 111.A OG GLY 109.A O no hydrogen 3.477 N/A ASN 112.A ND2 THR 104.A OG1 no hydrogen 3.247 N/A VAL 113.A N HIS 110.A O no hydrogen 3.234 N/A ALA 116.A N VAL 113.A O no hydrogen 3.057 N/A THR 117.A N GLU 144.A OE1 no hydrogen 2.993 N/A THR 117.A OG1 GLU 144.A OE2 no hydrogen 2.782 N/A LEU 118.A N SER 550.A OG no hydrogen 3.175 N/A PHE 119.A N HIS 108.A O no hydrogen 3.007 N/A HIS 121.A N LEU 547.A O no hydrogen 3.024 N/A HIS 121.A NE2 GLY 427.A O no hydrogen 2.996 N/A ASN 122.A ND2 GLU 171.A O no hydrogen 2.732 N/A ILE 123.A N TYR 170.A O no hydrogen 3.084 N/A GLY 124.A N HIS 121.A O no hydrogen 3.159 N/A LEU 125.A N HIS 121.A O no hydrogen 3.359 N/A GLY 126.A N ASN 122.A O no hydrogen 2.779 N/A ALA 127.A N ILE 123.A O no hydrogen 3.120 N/A ALA 128.A N GLY 124.A O no hydrogen 3.164 N/A ALA 128.A N LEU 125.A O no hydrogen 3.135 N/A ARG 129.A N GLY 126.A O no hydrogen 3.266 N/A ARG 129.A NH1 GLY 126.A O no hydrogen 3.087 N/A ARG 129.A NH1 LYS 574.A O no hydrogen 2.855 N/A ARG 129.A NH1 LEU 575.A O no hydrogen 3.534 N/A ARG 129.A NH2 LEU 575.A O no hydrogen 2.893 N/A ASP 130.A N TYR 183.A OH no hydrogen 3.053 N/A LEU 133.A N ASP 130.A OD1 no hydrogen 3.016 N/A ILE 134.A N ASP 130.A O no hydrogen 3.265 N/A LYS 135.A N THR 131.A O no hydrogen 3.125 N/A LYS 135.A NZ ASP 194.A OD1 no hydrogen 3.453 N/A LYS 135.A NZ ASP 194.A OD2 no hydrogen 2.817 N/A ARG 136.A N ASP 132.A O no hydrogen 3.076 N/A ARG 136.A NE ASP 132.A OD2 no hydrogen 2.876 N/A ARG 136.A NH1 GLU 387.A OE1 no hydrogen 3.243 N/A ARG 136.A NH2 ASP 132.A OD2 no hydrogen 3.240 N/A ARG 136.A NH2 GLU 387.A OE2 no hydrogen 2.887 N/A ILE 137.A N LEU 133.A O no hydrogen 2.986 N/A GLY 138.A N ILE 134.A O no hydrogen 3.079 N/A GLN 139.A N LYS 135.A O no hydrogen 3.046 N/A ALA 140.A N ARG 136.A O no hydrogen 2.889 N/A THR 141.A N ILE 137.A O no hydrogen 2.849 N/A THR 141.A OG1 ILE 137.A O no hydrogen 2.723 N/A ALA 142.A N GLY 138.A O no hydrogen 2.902 N/A LYS 143.A N GLN 139.A O no hydrogen 3.313 N/A GLU 144.A N ALA 140.A O no hydrogen 3.091 N/A VAL 145.A N THR 141.A O no hydrogen 2.983 N/A ALA 146.A N ALA 142.A O no hydrogen 2.842 N/A ALA 147.A N LYS 143.A O no hydrogen 2.974 N/A THR 148.A N VAL 145.A O no hydrogen 3.057 N/A THR 148.A OG1 HIS 110.A NE2 no hydrogen 2.989 N/A THR 148.A OG1 VAL 145.A O no hydrogen 2.916 N/A GLY 149.A N ALA 146.A O no hydrogen 2.933 N/A GLU 151.A N TRP 102.A O no hydrogen 3.257 N/A TRP 152.A N TRP 102.A O no hydrogen 3.274 N/A TRP 152.A NE1 THR 208.A OG1 no hydrogen 2.603 N/A SER 153.A N ILE 206.A O no hydrogen 2.901 N/A PHE 154.A N THR 104.A O no hydrogen 2.803 N/A VAL 158.A N LYS 210.A O no hydrogen 2.643 N/A VAL 161.A N SER 174.A O no hydrogen 3.426 N/A ARG 162.A N GLY 216.A O no hydrogen 3.059 N/A ARG 162.A NH1 GLU 175.A O no hydrogen 2.811 N/A ARG 165.A N ASP 163.A OD1 no hydrogen 3.099 N/A ARG 165.A NE ASP 163.A OD1 no hydrogen 3.069 N/A ARG 165.A NE ASP 163.A OD2 no hydrogen 3.376 N/A ARG 165.A NH2 ASP 163.A OD2 no hydrogen 2.828 N/A TRP 166.A N ASP 163.A O no hydrogen 3.318 N/A TRP 166.A NE1 ASP 223.A OD1 no hydrogen 2.807 N/A GLY 167.A N ASP 493.A OD1 no hydrogen 2.759 N/A ARG 168.A NE GLU 171.A OE1 no hydrogen 3.312 N/A ARG 168.A NE GLU 171.A OE2 no hydrogen 2.781 N/A ARG 168.A NH2 GLU 171.A OE1 no hydrogen 2.878 N/A ARG 168.A NH2 GLU 171.A OE2 no hydrogen 3.424 N/A THR 169.A N TRP 166.A O no hydrogen 3.223 N/A THR 169.A OG1 TRP 166.A O no hydrogen 2.860 N/A TYR 170.A OH TYR 487.A O no hydrogen 2.710 N/A GLU 171.A N ARG 168.A O no hydrogen 3.062 N/A SER 172.A N THR 169.A O no hydrogen 3.104 N/A SER 172.A OG ALA 159.A O no hydrogen 2.718 N/A SER 172.A OG SER 174.A O no hydrogen 3.093 N/A SER 174.A N SER 172.A OG no hydrogen 3.257 N/A SER 174.A OG SER 576.A O no hydrogen 2.947 N/A GLU 175.A N SER 576.A O no hydrogen 3.141 N/A ASP 176.A N SER 174.A OG no hydrogen 2.747 N/A ASP 178.A N ASP 176.A OD1 no hydrogen 3.176 N/A LEU 179.A N ASP 176.A O no hydrogen 3.203 N/A VAL 180.A N ASP 176.A O no hydrogen 3.420 N/A LYS 181.A N PRO 177.A O no hydrogen 3.002 N/A ARG 182.A N ASP 178.A O no hydrogen 3.146 N/A TYR 183.A N LEU 179.A O no hydrogen 3.061 N/A TYR 183.A OH LEU 125.A O no hydrogen 2.714 N/A ALA 184.A N VAL 180.A O no hydrogen 2.898 N/A MET 187.A N TYR 183.A O no hydrogen 3.220 N/A VAL 188.A N ALA 184.A O no hydrogen 3.103 N/A THR 189.A N GLY 185.A O no hydrogen 2.961 N/A THR 189.A OG1 GLY 185.A O no hydrogen 3.109 N/A THR 189.A OG1 GLU 186.A O no hydrogen 3.333 N/A GLY 190.A N GLU 186.A O no hydrogen 2.934 N/A ILE 191.A N MET 187.A O no hydrogen 3.086 N/A GLN 192.A N VAL 188.A O no hydrogen 2.915 N/A GLN 192.A NE2 GLY 249.A O no hydrogen 3.002 N/A GLY 193.A N THR 189.A O no hydrogen 2.766 N/A PHE 199.A N GLY 196.A O no hydrogen 3.143 N/A LEU 200.A N GLN 192.A O no hydrogen 2.808 N/A LYS 201.A N ASP 198.A O no hydrogen 2.998 N/A ASN 204.A N LYS 201.A O no hydrogen 3.157 N/A ASN 204.A ND2 ASP 198.A O no hydrogen 3.015 N/A ARG 205.A N ILE 191.A O no hydrogen 2.910 N/A ARG 205.A NE SER 203.A O no hydrogen 2.754 N/A ARG 205.A NE ASN 204.A O no hydrogen 3.028 N/A ARG 205.A NH1 GLY 202.A O no hydrogen 3.048 N/A ARG 205.A NH1 ASN 204.A O no hydrogen 3.114 N/A ARG 205.A NH1 GLU 369.A OE2 no hydrogen 3.104 N/A ARG 205.A NH2 ILE 150.A O no hydrogen 2.857 N/A ILE 206.A N GLU 151.A O no hydrogen 2.919 N/A ALA 207.A N GLN 192.A OE1 no hydrogen 3.018 N/A THR 208.A N SER 153.A O no hydrogen 3.163 N/A ALA 209.A N SER 252.A O no hydrogen 2.987 N/A LYS 210.A N PRO 156.A O no hydrogen 2.997 N/A LYS 210.A NZ ASP 105.A OD1 no hydrogen 3.320 N/A LYS 210.A NZ PHE 154.A O no hydrogen 3.424 N/A LYS 210.A NZ THR 157.A OG1 no hydrogen 2.922 N/A PHE 212.A N MET 254.A O no hydrogen 2.739 N/A GLY 217.A N GLY 214.A O no hydrogen 2.991 N/A THR 218.A OG1 VAL 222.A O no hydrogen 2.741 N/A GLU 219.A N ASN 226.A O no hydrogen 2.932 N/A GLY 221.A N THR 218.A O no hydrogen 2.984 N/A VAL 222.A N GLU 219.A O no hydrogen 3.267 N/A ASP 223.A N ASP 493.A OD2 no hydrogen 2.781 N/A ARG 224.A NH2 GLU 489.A OE2 no hydrogen 3.427 N/A GLY 225.A N VAL 222.A O no hydrogen 2.926 N/A THR 227.A N SER 259.A O no hydrogen 2.778 N/A THR 227.A OG1 GLY 214.A O no hydrogen 2.830 N/A THR 227.A OG1 SER 259.A O no hydrogen 3.561 N/A ILE 229.A N ASN 261.A OD1 no hydrogen 3.159 N/A GLY 233.A N ASP 230.A O no hydrogen 3.124 N/A GLY 233.A N ASP 230.A OD2 no hydrogen 3.004 N/A LEU 234.A N ASP 230.A O no hydrogen 3.081 N/A ARG 235.A N GLU 231.A O no hydrogen 3.040 N/A ARG 235.A NE ASP 236.A OD1 no hydrogen 2.783 N/A ARG 235.A NH1 ASN 3.A O no hydrogen 2.864 N/A ARG 235.A NH2 ASP 236.A OD1 no hydrogen 3.367 N/A ARG 235.A NH2 ASP 236.A OD2 no hydrogen 3.141 N/A ASP 236.A N LYS 232.A O no hydrogen 2.851 N/A ILE 237.A N GLY 233.A O no hydrogen 2.858 N/A HIS 238.A N LEU 234.A O no hydrogen 3.196 N/A SER 239.A OG LEU 234.A O no hydrogen 2.841 N/A TYR 242.A N SER 239.A O no hydrogen 2.933 N/A TYR 242.A OH ALA 209.A O no hydrogen 3.109 N/A PHE 243.A N SER 239.A O no hydrogen 3.366 N/A PHE 243.A N ALA 240.A O no hydrogen 3.244 N/A SER 244.A OG.A LYS 181.A O no hydrogen 2.789 N/A SER 244.A OG.A GLY 241.A O no hydrogen 3.447 N/A SER 244.A OG.B LYS 181.A O no hydrogen 2.650 N/A ALA 245.A N GLY 241.A O no hydrogen 3.072 N/A ILE 246.A N TYR 242.A O no hydrogen 2.867 N/A ASN 247.A N PHE 243.A O no hydrogen 3.065 N/A GLN 248.A N SER 244.A O no hydrogen 2.964 N/A GLY 249.A N ILE 246.A O no hydrogen 2.819 N/A VAL 250.A N ALA 245.A O no hydrogen 3.081 N/A GLN 251.A N GLN 192.A OE1 no hydrogen 2.980 N/A GLN 251.A NE2 GLY 249.A O no hydrogen 3.057 N/A SER 252.A N ALA 207.A O no hydrogen 3.087 N/A SER 252.A OG THR 208.A OG1 no hydrogen 3.164 N/A SER 252.A OG PHE 285.A O no hydrogen 3.296 N/A VAL 253.A N PHE 285.A O no hydrogen 3.075 N/A MET 254.A N ALA 209.A O no hydrogen 3.037 N/A ALA 255.A N VAL 287.A O no hydrogen 3.010 N/A SER 256.A N PHE 212.A O no hydrogen 2.814 N/A SER 256.A OG VAL 213.A O no hydrogen 3.332 N/A SER 256.A OG ASN 258.A OD1 no hydrogen 2.692 N/A ASN 258.A ND2 VAL 213.A O no hydrogen 3.217 N/A ASN 258.A ND2 SER 259.A O no hydrogen 3.216 N/A SER 259.A N GLY 225.A O no hydrogen 2.958 N/A TRP 260.A N LYS 263.A O no hydrogen 2.830 N/A TRP 260.A NE1 ILE 229.A O no hydrogen 2.884 N/A ASN 261.A N THR 227.A O no hydrogen 2.906 N/A ASN 261.A ND2 ILE 229.A O no hydrogen 2.992 N/A GLY 262.A N ASN 226.A OD1 no hydrogen 2.864 N/A LYS 263.A N TRP 260.A O no hydrogen 3.037 N/A ARG 264.A NH1 ARG 224.A O no hydrogen 3.029 N/A ARG 264.A NH1 PHE 257.A O no hydrogen 2.918 N/A VAL 265.A N ASN 258.A O no hydrogen 3.172 N/A HIS 266.A ND1 SER 256.A O no hydrogen 2.765 N/A GLY 267.A N ARG 264.A O no hydrogen 3.135 N/A ASP 268.A N VAL 265.A O no hydrogen 2.973 N/A HIS 270.A NE2 GLU 231.A OE2 no hydrogen 2.859 N/A LEU 271.A N ASP 268.A OD1 no hydrogen 3.380 N/A LEU 272.A N ASP 268.A O no hydrogen 3.093 N/A THR 273.A N LYS 269.A O no hydrogen 3.025 N/A THR 273.A OG1 ALA 310.A O no hydrogen 2.617 N/A ASP 274.A N LYS 269.A O no hydrogen 3.225 N/A VAL 275.A N HIS 270.A O no hydrogen 2.827 N/A LEU 276.A N LEU 271.A O no hydrogen 2.905 N/A LYS 277.A N THR 273.A O no hydrogen 2.991 N/A LYS 277.A NZ GLY 311.A O no hydrogen 2.527 N/A LYS 277.A NZ ASP 313.A OD1 no hydrogen 3.015 N/A LYS 277.A NZ ASP 313.A OD2 no hydrogen 2.794 N/A ASN 278.A N THR 273.A O no hydrogen 2.766 N/A GLN 279.A N ASP 274.A O no hydrogen 2.881 N/A GLN 279.A NE2 ASP 274.A OD2 no hydrogen 2.761 N/A LEU 280.A N VAL 275.A O no hydrogen 2.818 N/A PHE 282.A N LEU 276.A O no hydrogen 3.261 N/A PHE 285.A N GLN 251.A O no hydrogen 3.034 N/A VAL 286.A N ASP 313.A OD2 no hydrogen 2.800 N/A VAL 287.A N VAL 253.A O no hydrogen 2.855 N/A SER 288.A N VAL 314.A O no hydrogen 3.011 N/A ASP 289.A N HIS 266.A NE2 no hydrogen 3.190 N/A TRP 290.A N ASP 289.A OD1 no hydrogen 2.695 N/A ASN 291.A N MET 316.A O no hydrogen 3.224 N/A ALA 292.A N ASP 289.A O no hydrogen 3.033 N/A HIS 293.A NE2 LEU 301.A O no hydrogen 2.883 N/A LYS 294.A N ASN 291.A O no hydrogen 3.194 N/A PHE 295.A N ALA 292.A O no hydrogen 3.328 N/A VAL 296.A N HIS 293.A O no hydrogen 3.164 N/A CYS 299.A N VAL 296.A O no hydrogen 2.978 N/A ASP 300.A N GLN 303.A O no hydrogen 2.951 N/A GLU 302.A N ASP 300.A OD1 no hydrogen 2.870 N/A GLN 303.A N ASP 300.A O no hydrogen 3.208 N/A GLN 303.A NE2 GLY 298.A O no hydrogen 3.097 N/A CYS 304.A SG HIS 293.A O no hydrogen 3.564 N/A ALA 305.A N GLN 303.A OE1 no hydrogen 3.079 N/A GLN 306.A N GLN 306.A OE1.B no hydrogen 2.806 N/A GLN 306.A NE2.A GLN 306.A O no hydrogen 2.771 N/A GLN 306.A NE2.B GLU 297.A O no hydrogen 2.828 N/A ILE 308.A N CYS 304.A O no hydrogen 3.438 N/A ASN 309.A N ALA 305.A O no hydrogen 2.658 N/A ASN 309.A ND2 VAL 336.A O no hydrogen 3.126 N/A ALA 310.A N GLN 306.A O no hydrogen 2.798 N/A ALA 310.A N ALA 307.A O no hydrogen 3.161 N/A GLY 311.A N ILE 308.A O no hydrogen 3.181 N/A VAL 312.A N ALA 307.A O no hydrogen 3.048 N/A ASP 313.A N VAL 286.A O no hydrogen 2.884 N/A VAL 314.A N VAL 286.A O no hydrogen 2.910 N/A ILE 315.A N MET 37.A O no hydrogen 2.795 N/A MET 316.A N SER 288.A OG no hydrogen 2.894 N/A VAL 317.A N GLN 39.A O no hydrogen 3.159 N/A PHE 324.A N HIS 320.A O no hydrogen 2.982 N/A TYR 325.A N PHE 321.A O no hydrogen 2.744 N/A TYR 325.A OH GLU 31.A O no hydrogen 3.200 N/A HIS 326.A N GLU 322.A O no hydrogen 3.154 N/A HIS 326.A NE2 TYR 53.A OH no hydrogen 3.131 N/A ASN 327.A N ALA 323.A O no hydrogen 2.949 N/A ASN 327.A ND2 GLU 302.A O no hydrogen 2.860 N/A THR 328.A N PHE 324.A O no hydrogen 2.963 N/A THR 328.A OG1 PHE 324.A O no hydrogen 2.812 N/A VAL 329.A N TYR 325.A O no hydrogen 3.112 N/A LYS 330.A N HIS 326.A O no hydrogen 3.157 N/A GLN 331.A N ASN 327.A O no hydrogen 3.006 N/A GLN 331.A NE2 GLN 303.A OE1 no hydrogen 3.052 N/A VAL 332.A N THR 328.A O no hydrogen 3.057 N/A LYS 333.A N VAL 329.A O no hydrogen 2.988 N/A LYS 333.A NZ GLU 31.A OE2 no hydrogen 2.901 N/A ALA 334.A N LYS 330.A O no hydrogen 2.756 N/A GLY 335.A N VAL 332.A O no hydrogen 2.987 N/A VAL 336.A N GLN 331.A O no hydrogen 3.022 N/A ILE 337.A N GLN 331.A O no hydrogen 3.412 N/A ARG 341.A N ALA 338.A O no hydrogen 2.940 N/A ARG 341.A NH1 ILE 308.A O no hydrogen 2.968 N/A ARG 341.A NH1 VAL 312.A O no hydrogen 3.246 N/A ARG 341.A NH1 ASP 313.A OD1 no hydrogen 3.197 N/A ARG 341.A NH2 ASP 313.A OD1 no hydrogen 2.743 N/A ARG 341.A NH2 ASP 344.A OD2 no hydrogen 3.077 N/A ILE 342.A N ALA 338.A O no hydrogen 3.297 N/A ASN 343.A N GLU 339.A O no hydrogen 2.890 N/A ASP 344.A N SER 340.A O no hydrogen 3.050 N/A ALA 345.A N ARG 341.A O no hydrogen 3.006 N/A VAL 346.A N ILE 342.A O no hydrogen 3.035 N/A ARG 347.A N ASN 343.A O no hydrogen 2.871 N/A ARG 347.A NE GLU 22.A OE2 no hydrogen 2.566 N/A ARG 347.A NH2 GLU 22.A OE1 no hydrogen 3.300 N/A ARG 347.A NH2 GLU 22.A OE2 no hydrogen 3.379 N/A ARG 348.A N ASP 344.A O no hydrogen 3.047 N/A ARG 348.A NE ASP 344.A OD2 no hydrogen 2.938 N/A ARG 348.A NH1 PHE 282.A O no hydrogen 2.878 N/A ARG 348.A NH1 GLY 284.A O no hydrogen 2.971 N/A PHE 349.A N ALA 345.A O no hydrogen 3.100 N/A LEU 350.A N VAL 346.A O no hydrogen 2.780 N/A ARG 351.A N ARG 347.A O no hydrogen 2.819 N/A ARG 351.A NE GLU 18.A OE2 no hydrogen 2.898 N/A ARG 351.A NH1 ASP 283.A O no hydrogen 3.013 N/A ARG 351.A NH2 GLU 18.A OE1 no hydrogen 3.031 N/A ALA 352.A N PHE 349.A O no hydrogen 3.100 N/A LYS 353.A N PHE 349.A O no hydrogen 3.098 N/A LYS 353.A NZ GLN 36.A OE1 no hydrogen 2.790 N/A LYS 353.A NZ GLY 56.A O no hydrogen 2.957 N/A LYS 353.A NZ PRO 99.A O no hydrogen 2.936 N/A ILE 354.A N LEU 350.A O no hydrogen 2.759 N/A ARG 355.A N ARG 351.A O no hydrogen 3.384 N/A ARG 355.A NH1 LYS 12.A O no hydrogen 2.926 N/A ARG 355.A NH2 LYS 12.A O no hydrogen 3.562 N/A TRP 356.A N ALA 352.A O no hydrogen 3.002 N/A TRP 356.A NE1 ASN 204.A O no hydrogen 3.006 N/A GLY 357.A N LYS 353.A O no hydrogen 3.200 N/A VAL 358.A N LYS 353.A O no hydrogen 3.183 N/A THR 360.A OG1 GLY 357.A O no hydrogen 3.103 N/A LYS 361.A N GLY 357.A O no hydrogen 2.817 N/A LYS 361.A NZ GLY 202.A O no hydrogen 2.952 N/A LYS 361.A NZ GLU 369.A OE1 no hydrogen 3.407 N/A LYS 361.A NZ GLU 369.A OE2 no hydrogen 2.810 N/A SER 362.A OG.A LYS 363.A O no hydrogen 3.288 N/A SER 365.A N ASP 82.A OD1 no hydrogen 2.892 N/A SER 365.A OG ASP 82.A OD1 no hydrogen 3.488 N/A SER 365.A OG ASP 82.A OD2 no hydrogen 2.493 N/A ALA 366.A N LYS 363.A O no hydrogen 3.029 N/A ARG 367.A N PRO 364.A O no hydrogen 3.080 N/A ARG 367.A NE SER 362.A O no hydrogen 2.879 N/A ARG 367.A NH1 GLU 151.A OE2 no hydrogen 2.717 N/A ARG 367.A NH2 SER 362.A O no hydrogen 3.529 N/A GLU 369.A N GLU 369.A OE1 no hydrogen 2.838 N/A SER 370.A N ARG 367.A O no hydrogen 3.021 N/A SER 370.A OG PRO 364.A O no hydrogen 2.659 N/A GLN 371.A N PRO 368.A O no hydrogen 3.185 N/A GLN 371.A NE2 SER 365.A O no hydrogen 3.024 N/A GLN 371.A NE2 ARG 367.A O no hydrogen 2.919 N/A GLN 374.A N GLN 374.A OE1.A no hydrogen 2.910 N/A GLN 374.A N GLN 374.A OE1.B no hydrogen 2.817 N/A GLN 374.A NE2.A HIS 372.A ND1 no hydrogen 3.346 N/A TRP 375.A N HIS 372.A O no hydrogen 3.161 N/A LEU 376.A N PRO 373.A O no hydrogen 3.213 N/A GLY 377.A N GLU 144.A OE1 no hydrogen 3.263 N/A GLY 377.A N GLU 144.A OE2 no hydrogen 3.218 N/A ALA 378.A N TRP 375.A O no hydrogen 3.340 N/A HIS 381.A ND1 GLU 144.A OE2 no hydrogen 2.741 N/A ARG 382.A N ALA 378.A O no hydrogen 2.978 N/A ARG 382.A NE GLY 377.A O no hydrogen 3.093 N/A ARG 382.A NH1 GLU 551.A OE2 no hydrogen 3.114 N/A THR 383.A N ALA 379.A O no hydrogen 2.894 N/A THR 383.A OG1 ALA 379.A O no hydrogen 3.116 N/A LEU 384.A N GLU 380.A O no hydrogen 3.164 N/A ALA 385.A N HIS 381.A O no hydrogen 2.925 N/A ARG 386.A N ARG 382.A O no hydrogen 2.895 N/A ARG 386.A NE ASP 557.A OD2 no hydrogen 2.819 N/A ARG 386.A NH2 ASP 557.A OD1 no hydrogen 2.904 N/A ARG 386.A NH2 ASP 557.A OD2 no hydrogen 3.496 N/A GLU 387.A N THR 383.A O no hydrogen 3.161 N/A ALA 388.A N LEU 384.A O no hydrogen 3.044 N/A VAL 389.A N ALA 385.A O no hydrogen 2.849 N/A ARG 390.A N ARG 386.A O no hydrogen 3.099 N/A ARG 390.A NH1 ASP 557.A OD2 no hydrogen 2.902 N/A LYS 391.A N GLU 387.A O no hydrogen 3.146 N/A LYS 391.A NZ ASP 130.A OD2 no hydrogen 2.938 N/A LYS 391.A NZ GLU 387.A OE2 no hydrogen 2.628 N/A SER 392.A N VAL 389.A O no hydrogen 3.057 N/A SER 392.A OG VAL 389.A O no hydrogen 2.742 N/A VAL 394.A N ALA 544.A O no hydrogen 2.975 N/A LEU 396.A N PHE 542.A O no hydrogen 2.986 N/A LYS 397.A N PHE 542.A O no hydrogen 3.302 N/A LYS 397.A NZ LEU 536.A O no hydrogen 2.897 N/A LYS 397.A NZ SER 539.A O no hydrogen 2.649 N/A ASN 398.A ND2 LEU 403.A O no hydrogen 3.136 N/A ASN 399.A N ASP 540.A O no hydrogen 2.845 N/A ASN 399.A ND2 VAL 613.A O no hydrogen 3.070 N/A GLU 400.A N ASN 612.A OD1 no hydrogen 2.908 N/A SER 401.A N ASN 398.A O no hydrogen 3.225 N/A LEU 403.A N ASN 398.A OD1 no hydrogen 2.909 N/A ILE 405.A N LEU 559.A O no hydrogen 2.821 N/A ALA 407.A N THR 561.A OG1 no hydrogen 3.021 N/A SER 409.A N LYS 406.A O no hydrogen 3.032 N/A SER 409.A OG LYS 406.A O no hydrogen 2.689 N/A ARG 410.A N ASP 476.A OD2 no hydrogen 2.869 N/A ILE 411.A N LYS 462.A O no hydrogen 2.809 N/A LEU 412.A N VAL 477.A O no hydrogen 3.095 N/A VAL 413.A N THR 464.A O no hydrogen 2.844 N/A ALA 414.A N ILE 479.A O no hydrogen 2.933 N/A GLY 415.A N GLU 467.A O no hydrogen 2.968 N/A GLY 417.A N VAL 481.A O no hydrogen 2.938 N/A ALA 418.A N GLY 415.A O no hydrogen 3.240 N/A ILE 421.A N ASN 439.A OD1 no hydrogen 2.958 N/A ASN 422.A ND2 GLY 434.A O no hydrogen 3.231 N/A MET 423.A N ALA 420.A O no hydrogen 3.124 N/A GLN 424.A N ALA 420.A O no hydrogen 3.366 N/A GLN 424.A NE2 THR 446.A O no hydrogen 3.112 N/A GLN 424.A NE2 GLY 549.A O no hydrogen 2.815 N/A ALA 425.A N ILE 421.A O no hydrogen 2.915 N/A GLY 426.A N ASN 422.A O no hydrogen 3.159 N/A TRP 428.A N TRP 432.A O no hydrogen 2.813 N/A TRP 428.A NE1 GLU 171.A OE2 no hydrogen 3.019 N/A SER 429.A N SER 431.A O no hydrogen 2.975 N/A SER 429.A OG HIS 108.A NE2 no hydrogen 3.155 N/A SER 429.A OG ALA 425.A O no hydrogen 3.399 N/A SER 429.A OG GLY 426.A O no hydrogen 3.051 N/A SER 429.A OG GLY 427.A O no hydrogen 3.170 N/A VAL 430.A N SER 111.A O no hydrogen 2.710 N/A SER 431.A N SER 429.A O no hydrogen 2.657 N/A SER 431.A OG ASN 437.A OD1 no hydrogen 3.092 N/A TRP 432.A NE1 GLU 489.A OE1 no hydrogen 2.881 N/A GLN 433.A NE2 ALA 488.A O no hydrogen 3.050 N/A ASN 437.A N GLY 434.A O no hydrogen 3.378 N/A ASN 437.A ND2 SER 429.A O no hydrogen 3.002 N/A THR 438.A N ASP 441.A OD2 no hydrogen 2.937 N/A THR 438.A OG1 SER 440.A OG no hydrogen 3.377 N/A ASN 439.A ND2 ASN 419.A O no hydrogen 2.849 N/A SER 440.A OG THR 438.A OG1 no hydrogen 3.377 N/A ASP 441.A N THR 438.A O no hydrogen 2.957 N/A PHE 442.A N ASN 439.A O no hydrogen 3.230 N/A ALA 445.A N PHE 442.A O no hydrogen 3.233 N/A THR 446.A N SER 550.A O no hydrogen 2.954 N/A SER 447.A OG ASN 419.A OD1 no hydrogen 2.632 N/A SER 447.A OG SER 450.A OG.B no hydrogen 3.194 N/A PHE 449.A N ALA 418.A O no hydrogen 2.794 N/A SER 450.A N SER 447.A OG no hydrogen 3.110 N/A SER 450.A OG.B SER 447.A OG no hydrogen 3.194 N/A GLY 451.A N SER 447.A O no hydrogen 3.044 N/A LEU 452.A N ILE 448.A O no hydrogen 3.079 N/A GLN 453.A N PHE 449.A O no hydrogen 2.812 N/A SER 454.A N SER 450.A O no hydrogen 3.047 N/A SER 454.A OG.B SER 450.A O no hydrogen 2.856 N/A GLN 455.A N GLY 451.A O no hydrogen 3.431 N/A GLN 455.A NE2 GLU 553.A OE2 no hydrogen 3.079 N/A GLN 455.A NE2 ASP 557.A OD1 no hydrogen 2.801 N/A VAL 456.A N LEU 452.A O no hydrogen 2.928 N/A THR 457.A N GLN 453.A O no hydrogen 2.929 N/A THR 457.A OG1 GLN 453.A O no hydrogen 2.958 N/A LYS 458.A N SER 454.A O no hydrogen 3.202 N/A LYS 458.A NZ SER 454.A OG.A no hydrogen 3.097 N/A ALA 459.A N GLN 455.A O no hydrogen 3.107 N/A ALA 459.A N VAL 456.A O no hydrogen 3.153 N/A GLY 460.A N THR 457.A O no hydrogen 3.069 N/A GLY 461.A N VAL 456.A O no hydrogen 2.861 N/A LYS 462.A N SER 409.A O no hydrogen 3.038 N/A THR 464.A N ILE 411.A O no hydrogen 3.100 N/A SER 466.A N VAL 413.A O no hydrogen 2.973 N/A SER 466.A OG GLU 470.A O no hydrogen 3.250 N/A GLY 469.A N SER 466.A O no hydrogen 2.870 N/A GLU 470.A N SER 466.A OG no hydrogen 2.749 N/A TYR 471.A OH ASP 516.A OD2 no hydrogen 2.383 N/A LYS 474.A NZ ASP 516.A O no hydrogen 3.102 N/A LYS 474.A NZ ASP 516.A OD1 no hydrogen 3.065 N/A ASP 476.A N ARG 410.A O no hydrogen 2.922 N/A ALA 478.A N PRO 519.A O no hydrogen 2.896 N/A ILE 479.A N LEU 412.A O no hydrogen 2.863 N/A VAL 480.A N VAL 521.A O no hydrogen 2.844 N/A VAL 481.A N ALA 414.A O no hydrogen 2.789 N/A ILE 482.A N VAL 523.A O no hydrogen 2.974 N/A GLU 484.A N LEU 525.A O no hydrogen 2.926 N/A TYR 487.A OH GLU 484.A OE1 no hydrogen 2.838 N/A ALA 488.A N GLN 433.A OE1 no hydrogen 2.959 N/A GLY 492.A N GLU 489.A O no hydrogen 2.932 N/A ASP 493.A N TRP 490.A O no hydrogen 3.045 N/A ILE 494.A N ARG 165.A O no hydrogen 3.005 N/A PHE 499.A N TRP 531.A O no hydrogen 3.242 N/A THR 503.A N GLN 500.A O no hydrogen 3.052 N/A LYS 504.A N GLN 500.A O no hydrogen 2.761 N/A LYS 504.A NZ GLU 498.A OE2 no hydrogen 3.037 N/A LYS 504.A NZ PHE 499.A O no hydrogen 2.890 N/A LYS 504.A NZ GLU 535.A OE2 no hydrogen 2.615 N/A HIS 505.A N THR 503.A OG1 no hydrogen 3.375 N/A ALA 506.A N GLN 500.A OE1 no hydrogen 2.816 N/A ALA 508.A N LYS 504.A O no hydrogen 3.326 N/A LEU 509.A N HIS 505.A O no hydrogen 3.377 N/A LEU 510.A N ALA 506.A O no hydrogen 2.978 N/A LYS 511.A N LEU 507.A O no hydrogen 2.898 N/A GLN 512.A N ALA 508.A O no hydrogen 2.984 N/A GLN 512.A NE2 SER 468.A O no hydrogen 3.523 N/A LEU 513.A N LEU 509.A O no hydrogen 3.182 N/A LYS 514.A N LEU 510.A O no hydrogen 2.994 N/A LYS 514.A NZ ILE 518.A O no hydrogen 2.855 N/A LYS 514.A NZ ASP 540.A OD1 no hydrogen 2.866 N/A ALA 515.A N LYS 511.A O no hydrogen 2.821 N/A ASP 516.A N LEU 513.A O no hydrogen 3.163 N/A ASN 517.A N LYS 514.A O no hydrogen 2.715 N/A ILE 518.A N LEU 513.A O no hydrogen 3.096 N/A VAL 520.A N ASP 540.A OD1 no hydrogen 2.800 N/A VAL 521.A N ALA 478.A O no hydrogen 2.853 N/A THR 522.A N ALA 541.A O no hydrogen 2.913 N/A THR 522.A OG1 SER 539.A OG no hydrogen 2.733 N/A VAL 523.A N VAL 480.A O no hydrogen 2.821 N/A PHE 524.A N VAL 543.A O no hydrogen 2.907 N/A LEU 525.A N ILE 482.A O no hydrogen 2.751 N/A SER 526.A N TRP 546.A O no hydrogen 3.101 N/A SER 526.A OG ARG 528.A O no hydrogen 2.719 N/A GLY 527.A N GLU 484.A OE1 no hydrogen 2.857 N/A ARG 528.A NE GLU 484.A OE2 no hydrogen 2.937 N/A ARG 528.A NH1 ASP 164.A O no hydrogen 3.080 N/A ARG 528.A NH1 ARG 165.A O no hydrogen 3.277 N/A ARG 528.A NH1 GLY 492.A O no hydrogen 3.046 N/A ARG 528.A NH2 GLU 484.A OE2 no hydrogen 2.979 N/A ARG 528.A NH2 GLY 492.A O no hydrogen 2.878 N/A TRP 531.A N LEU 497.A O no hydrogen 2.887 N/A TRP 531.A NE1 LYS 581.A O no hydrogen 2.759 N/A ASN 533.A ND2 LYS 581.A O no hydrogen 3.203 N/A ASN 533.A ND2 SER 617.A O no hydrogen 2.991 N/A LYS 534.A NZ GLU 498.A OE2 no hydrogen 2.834 N/A GLU 535.A N GLU 535.A OE1 no hydrogen 2.731 N/A LEU 536.A N VAL 532.A O no hydrogen 2.842 N/A ASN 537.A N ASN 533.A O no hydrogen 2.939 N/A ASN 537.A ND2 LEU 616.A O no hydrogen 2.734 N/A ASN 537.A ND2 GLU 618.A OE2 no hydrogen 2.916 N/A ALA 538.A N LYS 534.A O no hydrogen 3.210 N/A ALA 538.A N GLU 535.A O no hydrogen 3.210 N/A SER 539.A N LEU 536.A O no hydrogen 3.033 N/A SER 539.A OG THR 522.A OG1 no hydrogen 2.733 N/A SER 539.A OG GLU 535.A O no hydrogen 2.696 N/A ASP 540.A N VAL 520.A O no hydrogen 2.897 N/A ALA 541.A N VAL 520.A O no hydrogen 3.189 N/A PHE 542.A N LYS 397.A O no hydrogen 2.886 N/A VAL 543.A N THR 522.A O no hydrogen 2.811 N/A ALA 544.A N VAL 394.A O no hydrogen 2.813 N/A ALA 545.A N PHE 524.A O no hydrogen 2.964 N/A TRP 546.A NE1 SER 392.A O no hydrogen 2.863 N/A GLY 549.A N GLN 424.A O no hydrogen 3.082 N/A SER 550.A N LEU 118.A O no hydrogen 2.930 N/A SER 550.A OG LEU 118.A O no hydrogen 3.192 N/A SER 550.A OG GLU 551.A OE2 no hydrogen 2.929 N/A GLY 552.A N THR 446.A O no hydrogen 2.873 N/A GLY 552.A N SER 550.A O no hydrogen 3.186 N/A GLY 554.A N GLU 551.A O no hydrogen 3.141 N/A VAL 555.A N GLY 552.A O no hydrogen 3.059 N/A ASP 557.A N GLU 553.A O no hydrogen 2.963 N/A VAL 558.A N VAL 555.A O no hydrogen 3.134 N/A LEU 559.A N VAL 555.A O no hydrogen 3.013 N/A LEU 560.A N ALA 556.A O no hydrogen 3.075 N/A THR 561.A N ILE 405.A O no hydrogen 2.866 N/A THR 561.A OG1 ILE 405.A O no hydrogen 3.516 N/A THR 561.A OG1 ASN 562.A O no hydrogen 2.891 N/A ASN 562.A N LYS 566.A O no hydrogen 2.849 N/A GLY 565.A N ASN 562.A O no hydrogen 3.113 N/A LYS 566.A N ASN 562.A OD1 no hydrogen 2.825 N/A GLN 568.A NE2 GLN 455.A OE1 no hydrogen 2.871 N/A GLN 568.A NE2 LEU 560.A O no hydrogen 2.897 N/A PHE 571.A N ASP 570.A OD1 no hydrogen 2.663 N/A LYS 574.A N ALA 127.A O no hydrogen 2.991 N/A LYS 574.A NZ GLY 604.A O no hydrogen 2.741 N/A LEU 575.A N TYR 603.A O no hydrogen 2.908 N/A SER 576.A OG ILE 123.A O no hydrogen 3.406 N/A SER 576.A OG TYR 173.A O no hydrogen 2.878 N/A SER 578.A N GLU 175.A OE1 no hydrogen 2.867 N/A SER 578.A OG GLU 175.A OE2 no hydrogen 2.720 N/A SER 578.A OG TYR 595.A OH no hydrogen 2.581 N/A TRP 579.A N PHE 599.A O no hydrogen 2.965 N/A LYS 581.A N GLN 585.A OE1 no hydrogen 2.556 N/A LYS 581.A NZ ASP 596.A OD1 no hydrogen 3.032 N/A TYR 582.A N GLN 585.A OE1 no hydrogen 3.069 N/A GLN 585.A N TYR 582.A O no hydrogen 3.431 N/A GLN 585.A NE2 ASP 596.A O no hydrogen 2.860 N/A ASN 589.A N ASP 592.A OD2 no hydrogen 3.019 N/A ASN 589.A ND2 ARG 162.A O no hydrogen 3.063 N/A LEU 590.A N GLU 175.A OE2 no hydrogen 2.919 N/A ASP 592.A N ASN 589.A O no hydrogen 2.926 N/A TYR 595.A OH SER 578.A OG no hydrogen 2.581 N/A LEU 598.A N TRP 579.A O no hydrogen 2.895 N/A PHE 599.A N TRP 579.A O no hydrogen 3.371 N/A TYR 601.A N TYR 595.A OH no hydrogen 2.988 N/A GLY 602.A N LEU 575.A O no hydrogen 2.920 N/A TYR 603.A N ALA 600.A O no hydrogen 2.901 N/A TYR 603.A OH LEU 396.A O no hydrogen 2.856 N/A LEU 605.A N LEU 395.A O no hydrogen 3.036 N/A THR 606.A N ASP 609.A OD2 no hydrogen 2.931 N/A TYR 607.A N ASP 570.A OD1 no hydrogen 2.922 N/A TYR 607.A OH VAL 558.A O no hydrogen 2.680 N/A GLN 608.A N THR 606.A OG1 no hydrogen 3.137 N/A ASP 609.A N THR 606.A O no hydrogen 3.012 N/A ASN 612.A ND2 GLU 400.A OE2 no hydrogen 3.229 N/A VAL 613.A N ASN 399.A OD1 no hydrogen 2.735 N/A LEU 616.A N ASN 537.A OD1 no hydrogen 2.754 N/A LYS 619.A N SER 617.A OG no hydrogen 3.313 N/A SER 621.A N ASP 583.A OD1 no hydrogen 3.362 N/A SER 621.A N ASP 583.A OD2 no hydrogen 3.281 N/A SER 621.A OG ASP 583.A OD1 no hydrogen 2.849 N/A SER 621.A OG ASP 583.A OD2 no hydrogen 3.561 N/A