Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rrx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N GLN 278.A OE1 no hydrogen 3.034 N/A TRP 3.A NE1 GLU 230.A OE2 no hydrogen 2.869 N/A TYR 5.A OH ASN 7.A O no hydrogen 3.417 N/A VAL 6.A N LEU 279.A O no hydrogen 2.889 N/A THR 8.A N ASN 246.A OD1 no hydrogen 3.113 N/A THR 8.A OG1 ASN 246.A OD1 no hydrogen 2.705 N/A ARG 12.A NE ASP 282.A OD2 no hydrogen 2.869 N/A ARG 12.A NH2 ASP 282.A OD1 no hydrogen 2.788 N/A VAL 16.A N ASP 13.A OD1 no hydrogen 3.240 N/A GLU 17.A N ASP 13.A O no hydrogen 2.955 N/A ALA 18.A N PRO 14.A O no hydrogen 2.831 N/A GLN 19.A N ALA 15.A O no hydrogen 3.161 N/A ILE 20.A N VAL 16.A O no hydrogen 3.046 N/A GLU 21.A N GLU 17.A O no hydrogen 3.101 N/A LYS 22.A N ALA 18.A O no hydrogen 3.149 N/A LEU 23.A N GLN 19.A O no hydrogen 2.998 N/A LEU 24.A N ILE 20.A O no hydrogen 2.858 N/A ALA 25.A N GLU 21.A O no hydrogen 3.041 N/A LYS 26.A N LEU 23.A O no hydrogen 3.153 N/A MET 27.A N LEU 24.A O no hydrogen 3.144 N/A THR 28.A N GLN 31.A OE1 no hydrogen 2.984 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.853 N/A GLN 31.A N THR 28.A OG1 no hydrogen 3.057 N/A GLN 31.A NE2 ASP 93.A O no hydrogen 2.711 N/A LYS 32.A N THR 28.A O no hydrogen 2.989 N/A LYS 32.A NZ ASN 342.A OD1 no hydrogen 2.721 N/A VAL 33.A N ILE 29.A O no hydrogen 2.950 N/A ALA 34.A N GLU 30.A O no hydrogen 3.069 N/A GLN 35.A N GLN 31.A O no hydrogen 3.388 N/A MET 36.A N VAL 33.A O no hydrogen 2.870 N/A ILE 37.A N ALA 34.A O no hydrogen 3.347 N/A GLN 38.A N ILE 314.A O no hydrogen 2.988 N/A GLN 38.A NE2 SER 56.A OG no hydrogen 3.144 N/A GLU 40.A N PRO 317.A O no hydrogen 3.116 N/A ILE 41.A N LEU 58.A O no hydrogen 3.063 N/A GLY 42.A N GLU 40.A OE1 no hydrogen 2.727 N/A TYR 43.A N GLU 40.A O no hydrogen 2.871 N/A LEU 44.A N GLU 40.A O no hydrogen 3.054 N/A THR 45.A N GLN 48.A OE1 no hydrogen 2.999 N/A THR 45.A OG1 GLN 48.A OE1 no hydrogen 3.397 N/A GLN 48.A N THR 45.A OG1 no hydrogen 3.053 N/A GLN 48.A NE2 GLU 321.A OE1 no hydrogen 3.012 N/A MET 49.A N THR 45.A O no hydrogen 3.187 N/A ARG 50.A N VAL 46.A O no hydrogen 2.932 N/A ARG 50.A NE.B ASP 89.A OD2 no hydrogen 3.115 N/A ARG 50.A NH1.A ASP 89.A OD2 no hydrogen 2.738 N/A LYS 51.A N GLU 47.A O no hydrogen 2.963 N/A TYR 52.A N GLN 48.A O no hydrogen 2.975 N/A TYR 52.A OH GLU 321.A OE2 no hydrogen 2.574 N/A TYR 52.A OH HIS 325.A NE2 no hydrogen 2.999 N/A GLY 53.A N MET 49.A O no hydrogen 2.790 N/A GLY 55.A N ALA 34.A O no hydrogen 2.963 N/A TYR 57.A N VAL 100.A O no hydrogen 2.970 N/A LEU 58.A N PRO 39.A O no hydrogen 2.853 N/A ASN 59.A N GLY 102.A O no hydrogen 2.823 N/A ASN 59.A ND2 THR 103.A OG1 no hydrogen 3.066 N/A GLY 60.A N GLU 40.A OE2 no hydrogen 2.783 N/A ALA 64.A N ASN 68.A O no hydrogen 2.889 N/A TYR 66.A OH GLU 82.A OE2 no hydrogen 2.549 N/A GLY 67.A N ALA 64.A O no hydrogen 3.109 N/A ARG 70.A NH1 TYR 113.A OH no hydrogen 3.092 N/A GLN 73.A NE2 ALA 146.A O no hydrogen 2.757 N/A ALA 74.A N ASP 72.A OD2 no hydrogen 2.866 N/A THR 75.A N ASP 72.A O no hydrogen 2.966 N/A TRP 76.A N ASP 72.A O no hydrogen 3.217 N/A LEU 77.A N GLN 73.A O no hydrogen 2.881 N/A LYS 78.A N ALA 74.A O no hydrogen 2.860 N/A TYR 79.A N THR 75.A O no hydrogen 3.050 N/A ALA 80.A N TRP 76.A O no hydrogen 2.940 N/A ASP 81.A N LEU 77.A O no hydrogen 2.893 N/A GLU 82.A N LYS 78.A O no hydrogen 2.980 N/A MET 83.A N TYR 79.A O no hydrogen 3.124 N/A TYR 84.A N ALA 80.A O no hydrogen 2.877 N/A LEU 85.A N ASP 81.A O no hydrogen 2.829 N/A ALA 86.A N GLU 82.A O no hydrogen 2.916 N/A ALA 87.A N MET 83.A O no hydrogen 2.991 N/A MET 88.A N TYR 84.A O no hydrogen 2.958 N/A ASP 89.A N ALA 86.A O no hydrogen 3.317 N/A THR 91.A N ASP 89.A OD1 no hydrogen 2.933 N/A THR 91.A OG1 ASP 89.A OD1 no hydrogen 2.965 N/A ASP 93.A N THR 91.A O no hydrogen 2.890 N/A GLY 94.A N SER 90.A O no hydrogen 2.840 N/A THR 99.A OG1 PHE 54.A O no hydrogen 2.993 N/A TRP 101.A N GLU 150.A OE1 no hydrogen 2.724 N/A GLY 102.A N TYR 57.A O no hydrogen 2.915 N/A THR 103.A N TRP 151.A O no hydrogen 2.847 N/A THR 103.A OG1 ASP 104.A O no hydrogen 3.526 N/A ALA 105.A N PHE 153.A O no hydrogen 3.044 N/A HIS 107.A N SER 110.A OG no hydrogen 3.417 N/A HIS 107.A ND1 PHE 118.A O no hydrogen 2.935 N/A HIS 107.A NE2 TRP 427.A O no hydrogen 2.761 N/A HIS 109.A NE2 THR 147.A OG1 no hydrogen 2.867 N/A SER 110.A OG GLY 108.A O no hydrogen 3.489 N/A SER 110.A OG TRP 427.A O no hydrogen 3.313 N/A VAL 112.A N HIS 109.A O no hydrogen 3.178 N/A ALA 115.A N VAL 112.A O no hydrogen 3.088 N/A THR 116.A N GLU 143.A OE1 no hydrogen 3.008 N/A THR 116.A OG1 GLU 143.A OE2 no hydrogen 2.814 N/A LEU 117.A N SER 549.A OG no hydrogen 3.195 N/A PHE 118.A N HIS 107.A O no hydrogen 2.989 N/A HIS 120.A N LEU 546.A O no hydrogen 3.134 N/A HIS 120.A NE2 GLY 426.A O no hydrogen 2.975 N/A ASN 121.A ND2 GLU 170.A O no hydrogen 2.908 N/A ILE 122.A N TYR 169.A O no hydrogen 3.122 N/A LEU 124.A N HIS 120.A O no hydrogen 3.402 N/A GLY 125.A N ASN 121.A O no hydrogen 2.814 N/A ALA 126.A N ILE 122.A O no hydrogen 3.130 N/A ALA 127.A N GLY 123.A O no hydrogen 3.156 N/A ALA 127.A N LEU 124.A O no hydrogen 3.129 N/A ARG 128.A N GLY 125.A O no hydrogen 3.197 N/A ARG 128.A NH1 GLY 125.A O no hydrogen 3.091 N/A ARG 128.A NH1 LYS 573.A O no hydrogen 2.831 N/A ARG 128.A NH2 LEU 574.A O no hydrogen 2.956 N/A ASP 129.A N TYR 182.A OH no hydrogen 2.993 N/A LEU 132.A N ASP 129.A OD1 no hydrogen 3.038 N/A ILE 133.A N ASP 129.A O no hydrogen 3.245 N/A LYS 134.A N THR 130.A O no hydrogen 3.155 N/A LYS 134.A NZ ASP 193.A OD1 no hydrogen 3.486 N/A LYS 134.A NZ ASP 193.A OD2 no hydrogen 2.849 N/A ARG 135.A N ASP 131.A O no hydrogen 3.064 N/A ARG 135.A NE ASP 131.A OD2 no hydrogen 3.046 N/A ARG 135.A NH1 GLU 386.A OE1 no hydrogen 3.027 N/A ARG 135.A NH2 ASP 131.A OD2 no hydrogen 3.386 N/A ARG 135.A NH2 GLU 386.A OE1 no hydrogen 3.549 N/A ARG 135.A NH2 GLU 386.A OE2 no hydrogen 2.798 N/A ILE 136.A N LEU 132.A O no hydrogen 2.961 N/A GLY 137.A N ILE 133.A O no hydrogen 3.014 N/A GLN 138.A N LYS 134.A O no hydrogen 2.991 N/A ALA 139.A N ARG 135.A O no hydrogen 2.877 N/A THR 140.A N ILE 136.A O no hydrogen 2.853 N/A THR 140.A OG1 ILE 136.A O no hydrogen 2.783 N/A ALA 141.A N GLY 137.A O no hydrogen 2.987 N/A LYS 142.A N GLN 138.A O no hydrogen 3.325 N/A GLU 143.A N ALA 139.A O no hydrogen 3.065 N/A VAL 144.A N THR 140.A O no hydrogen 2.906 N/A ALA 145.A N ALA 141.A O no hydrogen 2.881 N/A ALA 146.A N LYS 142.A O no hydrogen 2.979 N/A THR 147.A N VAL 144.A O no hydrogen 3.038 N/A THR 147.A OG1 HIS 109.A NE2 no hydrogen 2.867 N/A THR 147.A OG1 VAL 144.A O no hydrogen 2.747 N/A GLY 148.A N ALA 145.A O no hydrogen 2.998 N/A GLU 150.A N TRP 101.A O no hydrogen 3.260 N/A TRP 151.A N TRP 101.A O no hydrogen 3.260 N/A TRP 151.A NE1 THR 207.A OG1 no hydrogen 2.629 N/A SER 152.A N ILE 205.A O no hydrogen 2.979 N/A PHE 153.A N THR 103.A O no hydrogen 2.731 N/A VAL 157.A N LYS 209.A O no hydrogen 2.722 N/A ARG 161.A N GLY 215.A O no hydrogen 2.989 N/A ARG 161.A NH1 GLU 174.A O no hydrogen 2.899 N/A ARG 164.A N ASP 162.A OD1 no hydrogen 3.108 N/A ARG 164.A NE ASP 162.A OD1 no hydrogen 2.994 N/A ARG 164.A NE ASP 162.A OD2 no hydrogen 3.372 N/A ARG 164.A NH2 ASP 162.A OD2 no hydrogen 2.836 N/A TRP 165.A N ASP 162.A O no hydrogen 3.297 N/A TRP 165.A NE1 ASP 222.A OD1 no hydrogen 2.853 N/A GLY 166.A N ASP 492.A OD1 no hydrogen 2.803 N/A ARG 167.A NE GLU 170.A OE1 no hydrogen 3.133 N/A ARG 167.A NE GLU 170.A OE2 no hydrogen 2.770 N/A ARG 167.A NH2 GLU 170.A OE1 no hydrogen 2.881 N/A ARG 167.A NH2 GLU 170.A OE2 no hydrogen 3.417 N/A THR 168.A N TRP 165.A O no hydrogen 3.206 N/A THR 168.A OG1 ASP 163.A O no hydrogen 3.462 N/A THR 168.A OG1 TRP 165.A O no hydrogen 2.774 N/A TYR 169.A OH TYR 486.A O no hydrogen 2.699 N/A GLU 170.A N ARG 167.A O no hydrogen 3.027 N/A SER 171.A N THR 168.A O no hydrogen 3.027 N/A SER 171.A OG ALA 158.A O no hydrogen 2.749 N/A SER 171.A OG SER 173.A O no hydrogen 3.065 N/A SER 173.A N SER 171.A OG no hydrogen 3.289 N/A SER 173.A OG SER 575.A O no hydrogen 2.878 N/A GLU 174.A N SER 575.A O no hydrogen 3.174 N/A ASP 175.A N SER 173.A OG no hydrogen 2.844 N/A ASP 177.A N ASP 175.A OD1 no hydrogen 3.046 N/A LEU 178.A N ASP 175.A O no hydrogen 3.237 N/A VAL 179.A N ASP 175.A O no hydrogen 3.387 N/A LYS 180.A N PRO 176.A O no hydrogen 2.914 N/A ARG 181.A N ASP 177.A O no hydrogen 3.109 N/A TYR 182.A N LEU 178.A O no hydrogen 3.083 N/A TYR 182.A N VAL 179.A O no hydrogen 3.208 N/A TYR 182.A OH LEU 124.A O no hydrogen 2.664 N/A ALA 183.A N VAL 179.A O no hydrogen 2.909 N/A GLY 184.A N SER 243.A OG no hydrogen 3.235 N/A MET 186.A N TYR 182.A O no hydrogen 3.168 N/A VAL 187.A N ALA 183.A O no hydrogen 3.125 N/A THR 188.A N GLY 184.A O no hydrogen 3.011 N/A THR 188.A OG1 GLY 184.A O no hydrogen 3.167 N/A THR 188.A OG1 GLU 185.A O no hydrogen 3.184 N/A GLY 189.A N GLU 185.A O no hydrogen 2.901 N/A ILE 190.A N MET 186.A O no hydrogen 3.001 N/A GLN 191.A N VAL 187.A O no hydrogen 2.844 N/A GLN 191.A NE2 GLY 248.A O no hydrogen 2.991 N/A GLY 192.A N THR 188.A O no hydrogen 2.805 N/A PHE 198.A N GLY 195.A O no hydrogen 3.151 N/A LEU 199.A N GLN 191.A O no hydrogen 2.760 N/A LYS 200.A N ASP 197.A O no hydrogen 3.014 N/A ASN 203.A N LYS 200.A O no hydrogen 3.065 N/A ASN 203.A ND2 ASP 197.A O no hydrogen 2.989 N/A ASN 203.A ND2 ASP 197.A OD2.B no hydrogen 3.179 N/A ARG 204.A N ILE 190.A O no hydrogen 2.962 N/A ARG 204.A NE SER 202.A O no hydrogen 2.848 N/A ARG 204.A NH1 GLY 201.A O no hydrogen 3.044 N/A ARG 204.A NH1 ASN 203.A O no hydrogen 3.121 N/A ARG 204.A NH1 GLU 368.A OE2 no hydrogen 3.050 N/A ARG 204.A NH2 ILE 149.A O no hydrogen 2.825 N/A ILE 205.A N GLU 150.A O no hydrogen 2.894 N/A ALA 206.A N GLN 191.A OE1 no hydrogen 2.915 N/A THR 207.A N SER 152.A O no hydrogen 3.142 N/A ALA 208.A N SER 251.A O no hydrogen 2.913 N/A LYS 209.A N PRO 155.A O no hydrogen 3.021 N/A LYS 209.A NZ ASP 104.A OD1 no hydrogen 2.703 N/A LYS 209.A NZ THR 156.A OG1 no hydrogen 3.309 N/A PHE 211.A N MET 253.A O no hydrogen 2.695 N/A GLY 216.A N GLY 213.A O no hydrogen 2.923 N/A THR 217.A OG1 VAL 221.A O no hydrogen 2.738 N/A GLU 218.A N ASN 225.A O no hydrogen 2.858 N/A GLY 220.A N THR 217.A O no hydrogen 3.005 N/A VAL 221.A N GLU 218.A O no hydrogen 3.304 N/A ASP 222.A N ASP 492.A OD2 no hydrogen 2.762 N/A GLY 224.A N VAL 221.A O no hydrogen 2.989 N/A THR 226.A N SER 258.A O no hydrogen 2.855 N/A THR 226.A OG1 GLY 213.A O no hydrogen 2.721 N/A ILE 228.A N ASN 260.A OD1 no hydrogen 3.200 N/A GLY 232.A N ASP 229.A O no hydrogen 3.117 N/A GLY 232.A N ASP 229.A OD2 no hydrogen 2.814 N/A LEU 233.A N ASP 229.A O no hydrogen 3.034 N/A ARG 234.A N GLU 230.A O no hydrogen 3.006 N/A ARG 234.A NE ASP 235.A OD1 no hydrogen 2.857 N/A ARG 234.A NH1 ASN 2.A O no hydrogen 2.906 N/A ARG 234.A NH2 ASP 235.A OD1 no hydrogen 3.470 N/A ARG 234.A NH2 ASP 235.A OD2 no hydrogen 3.016 N/A ASP 235.A N LYS 231.A O no hydrogen 2.895 N/A ILE 236.A N GLY 232.A O no hydrogen 2.834 N/A HIS 237.A N LEU 233.A O no hydrogen 3.181 N/A SER 238.A OG LEU 233.A O no hydrogen 2.887 N/A TYR 241.A N SER 238.A O no hydrogen 2.821 N/A TYR 241.A OH ALA 208.A O no hydrogen 2.736 N/A PHE 242.A N SER 238.A O no hydrogen 3.253 N/A PHE 242.A N ALA 239.A O no hydrogen 3.209 N/A SER 243.A OG LYS 180.A O no hydrogen 2.721 N/A SER 243.A OG GLY 240.A O no hydrogen 3.472 N/A ALA 244.A N GLY 240.A O no hydrogen 3.039 N/A ILE 245.A N TYR 241.A O no hydrogen 2.926 N/A ASN 246.A N PHE 242.A O no hydrogen 3.098 N/A GLN 247.A N SER 243.A O no hydrogen 3.029 N/A GLY 248.A N ILE 245.A O no hydrogen 2.915 N/A VAL 249.A N ALA 244.A O no hydrogen 3.048 N/A GLN 250.A N GLN 191.A OE1 no hydrogen 3.069 N/A GLN 250.A NE2 GLY 248.A O no hydrogen 3.044 N/A SER 251.A N ALA 206.A O no hydrogen 3.053 N/A SER 251.A OG THR 207.A OG1 no hydrogen 2.928 N/A SER 251.A OG PHE 284.A O no hydrogen 3.256 N/A VAL 252.A N PHE 284.A O no hydrogen 3.061 N/A MET 253.A N ALA 208.A O no hydrogen 2.981 N/A ALA 254.A N VAL 286.A O no hydrogen 3.048 N/A SER 255.A N PHE 211.A O no hydrogen 2.930 N/A SER 255.A OG VAL 212.A O no hydrogen 3.398 N/A SER 255.A OG ASN 257.A OD1 no hydrogen 2.705 N/A ASN 257.A ND2 VAL 212.A O no hydrogen 3.223 N/A ASN 257.A ND2 SER 258.A O no hydrogen 3.101 N/A SER 258.A N GLY 224.A O no hydrogen 2.910 N/A TRP 259.A N LYS 262.A O no hydrogen 2.820 N/A TRP 259.A NE1 ILE 228.A O no hydrogen 2.904 N/A ASN 260.A N THR 226.A O no hydrogen 2.865 N/A ASN 260.A ND2 ILE 228.A O no hydrogen 3.101 N/A GLY 261.A N ASN 225.A OD1 no hydrogen 2.853 N/A LYS 262.A N TRP 259.A O no hydrogen 3.090 N/A ARG 263.A NH1 ARG 223.A O no hydrogen 2.980 N/A ARG 263.A NH1 PHE 256.A O no hydrogen 2.839 N/A VAL 264.A N ASN 257.A O no hydrogen 3.198 N/A HIS 265.A ND1 SER 255.A O no hydrogen 2.820 N/A GLY 266.A N ARG 263.A O no hydrogen 3.023 N/A ASP 267.A N VAL 264.A O no hydrogen 2.948 N/A HIS 269.A NE2 GLU 230.A OE2 no hydrogen 2.812 N/A LEU 270.A N ASP 267.A OD1 no hydrogen 3.370 N/A LEU 271.A N ASP 267.A O no hydrogen 3.042 N/A THR 272.A N LYS 268.A O no hydrogen 2.948 N/A THR 272.A OG1 ALA 309.A O no hydrogen 2.703 N/A ASP 273.A N LYS 268.A O no hydrogen 3.139 N/A VAL 274.A N HIS 269.A O no hydrogen 2.774 N/A LEU 275.A N LEU 270.A O no hydrogen 2.963 N/A LYS 276.A N THR 272.A O no hydrogen 2.994 N/A LYS 276.A NZ GLY 310.A O no hydrogen 2.734 N/A LYS 276.A NZ ASP 312.A OD1 no hydrogen 3.044 N/A LYS 276.A NZ ASP 312.A OD2 no hydrogen 2.773 N/A ASN 277.A N THR 272.A O no hydrogen 2.853 N/A GLN 278.A N ASP 273.A O no hydrogen 2.874 N/A GLN 278.A N VAL 274.A O no hydrogen 3.273 N/A GLN 278.A NE2 ASP 273.A OD2 no hydrogen 2.873 N/A LEU 279.A N VAL 274.A O no hydrogen 2.794 N/A PHE 281.A N LEU 275.A O no hydrogen 3.155 N/A PHE 284.A N GLN 250.A O no hydrogen 3.023 N/A VAL 285.A N ASP 312.A OD2 no hydrogen 2.838 N/A VAL 286.A N VAL 252.A O no hydrogen 2.949 N/A SER 287.A N VAL 313.A O no hydrogen 2.953 N/A ASP 288.A N HIS 265.A NE2 no hydrogen 3.097 N/A TRP 289.A N ASP 288.A OD1 no hydrogen 2.703 N/A ASN 290.A N MET 315.A O no hydrogen 3.170 N/A ALA 291.A N ASP 288.A O no hydrogen 2.953 N/A HIS 292.A NE2 LEU 300.A O no hydrogen 2.909 N/A LYS 293.A N ASN 290.A O no hydrogen 3.163 N/A PHE 294.A N ALA 291.A O no hydrogen 3.243 N/A VAL 295.A N HIS 292.A O no hydrogen 3.196 N/A CYS 298.A N VAL 295.A O no hydrogen 2.976 N/A ASP 299.A N GLN 302.A O no hydrogen 2.980 N/A GLU 301.A N ASP 299.A OD1 no hydrogen 2.798 N/A GLN 302.A N ASP 299.A O no hydrogen 3.243 N/A GLN 302.A NE2 GLY 297.A O no hydrogen 3.170 N/A CYS 303.A SG HIS 292.A O no hydrogen 3.570 N/A ALA 304.A N GLN 302.A OE1 no hydrogen 2.989 N/A GLN 305.A NE2 GLN 305.A O no hydrogen 3.054 N/A ILE 307.A N CYS 303.A O no hydrogen 3.480 N/A ASN 308.A N ALA 304.A O no hydrogen 2.732 N/A ASN 308.A ND2 VAL 335.A O no hydrogen 3.057 N/A ALA 309.A N GLN 305.A O no hydrogen 2.778 N/A GLY 310.A N ALA 306.A O no hydrogen 3.222 N/A GLY 310.A N ILE 307.A O no hydrogen 3.035 N/A VAL 311.A N ALA 306.A O no hydrogen 3.024 N/A ASP 312.A N VAL 285.A O no hydrogen 2.844 N/A VAL 313.A N VAL 285.A O no hydrogen 2.902 N/A ILE 314.A N MET 36.A O no hydrogen 2.735 N/A MET 315.A N SER 287.A OG no hydrogen 2.869 N/A VAL 316.A N GLN 38.A O no hydrogen 3.147 N/A PHE 323.A N HIS 319.A O no hydrogen 2.981 N/A TYR 324.A N PHE 320.A O no hydrogen 2.824 N/A TYR 324.A OH GLU 30.A O no hydrogen 3.298 N/A HIS 325.A N GLU 321.A O no hydrogen 3.145 N/A HIS 325.A NE2 TYR 52.A OH no hydrogen 2.999 N/A ASN 326.A N ALA 322.A O no hydrogen 2.948 N/A ASN 326.A ND2 GLU 301.A O no hydrogen 2.838 N/A THR 327.A N PHE 323.A O no hydrogen 2.941 N/A THR 327.A OG1 PHE 323.A O no hydrogen 2.814 N/A VAL 328.A N TYR 324.A O no hydrogen 3.071 N/A LYS 329.A N HIS 325.A O no hydrogen 3.206 N/A GLN 330.A N ASN 326.A O no hydrogen 3.024 N/A GLN 330.A NE2 GLN 302.A OE1 no hydrogen 2.955 N/A VAL 331.A N THR 327.A O no hydrogen 2.990 N/A LYS 332.A N VAL 328.A O no hydrogen 3.012 N/A LYS 332.A NZ GLU 30.A OE2 no hydrogen 2.835 N/A ALA 333.A N LYS 329.A O no hydrogen 2.778 N/A GLY 334.A N VAL 331.A O no hydrogen 3.008 N/A VAL 335.A N GLN 330.A O no hydrogen 3.071 N/A ILE 336.A N GLN 330.A O no hydrogen 3.472 N/A ARG 340.A N ALA 337.A O no hydrogen 2.948 N/A ARG 340.A NH1 ILE 307.A O no hydrogen 3.009 N/A ARG 340.A NH1 VAL 311.A O no hydrogen 3.213 N/A ARG 340.A NH1 ASP 312.A OD1 no hydrogen 3.222 N/A ARG 340.A NH2 ASP 312.A OD1 no hydrogen 2.761 N/A ARG 340.A NH2 ASP 343.A OD2 no hydrogen 3.080 N/A ILE 341.A N ALA 337.A O no hydrogen 3.265 N/A ASN 342.A N GLU 338.A O no hydrogen 2.862 N/A ASP 343.A N SER 339.A O no hydrogen 3.016 N/A ALA 344.A N ARG 340.A O no hydrogen 2.996 N/A VAL 345.A N ILE 341.A O no hydrogen 2.952 N/A ARG 346.A N ASN 342.A O no hydrogen 2.852 N/A ARG 346.A NE GLU 21.A OE2 no hydrogen 2.733 N/A ARG 346.A NH2 GLU 21.A OE1 no hydrogen 3.452 N/A ARG 347.A N ASP 343.A O no hydrogen 3.053 N/A ARG 347.A NE ASP 343.A OD2 no hydrogen 2.952 N/A ARG 347.A NH1 PHE 281.A O no hydrogen 2.891 N/A ARG 347.A NH1 GLY 283.A O no hydrogen 2.876 N/A PHE 348.A N ALA 344.A O no hydrogen 3.103 N/A LEU 349.A N VAL 345.A O no hydrogen 2.791 N/A ARG 350.A N ARG 346.A O no hydrogen 2.857 N/A ARG 350.A NE GLU 17.A OE2 no hydrogen 2.837 N/A ARG 350.A NH1 ASP 282.A O no hydrogen 2.965 N/A ARG 350.A NH2 GLU 17.A OE1 no hydrogen 2.952 N/A ALA 351.A N PHE 348.A O no hydrogen 3.033 N/A LYS 352.A N PHE 348.A O no hydrogen 3.115 N/A LYS 352.A NZ GLN 35.A OE1 no hydrogen 2.778 N/A LYS 352.A NZ GLY 55.A O no hydrogen 2.995 N/A LYS 352.A NZ PRO 98.A O no hydrogen 2.887 N/A ILE 353.A N LEU 349.A O no hydrogen 2.776 N/A ARG 354.A N ARG 350.A O no hydrogen 3.277 N/A ARG 354.A NH1 LYS 11.A O no hydrogen 2.792 N/A ARG 354.A NH2 LYS 11.A O no hydrogen 3.454 N/A TRP 355.A N ALA 351.A O no hydrogen 2.931 N/A TRP 355.A NE1 ASN 203.A O no hydrogen 3.031 N/A GLY 356.A N LYS 352.A O no hydrogen 3.034 N/A VAL 357.A N LYS 352.A O no hydrogen 3.089 N/A THR 359.A N GLY 356.A O no hydrogen 3.103 N/A THR 359.A OG1 GLY 356.A O no hydrogen 3.230 N/A LYS 360.A N GLY 356.A O no hydrogen 2.883 N/A LYS 360.A NZ GLU 368.A OE1 no hydrogen 3.356 N/A LYS 360.A NZ GLU 368.A OE2 no hydrogen 2.711 N/A SER 361.A OG.A LYS 362.A O no hydrogen 3.301 N/A SER 364.A N ASP 81.A OD1 no hydrogen 2.876 N/A SER 364.A OG ASP 81.A OD1 no hydrogen 3.417 N/A SER 364.A OG ASP 81.A OD2 no hydrogen 2.492 N/A ALA 365.A N LYS 362.A O no hydrogen 2.964 N/A ARG 366.A N PRO 363.A O no hydrogen 3.123 N/A ARG 366.A NE SER 361.A O no hydrogen 2.898 N/A ARG 366.A NH1 GLU 150.A OE2 no hydrogen 2.872 N/A ARG 366.A NH2 SER 361.A O no hydrogen 3.480 N/A GLU 368.A N GLU 368.A OE1 no hydrogen 2.945 N/A SER 369.A N ARG 366.A O no hydrogen 2.963 N/A SER 369.A OG PRO 363.A O no hydrogen 2.717 N/A GLN 370.A N PRO 367.A O no hydrogen 3.220 N/A GLN 370.A NE2 SER 364.A O no hydrogen 3.008 N/A GLN 370.A NE2 ARG 366.A O no hydrogen 2.880 N/A GLN 373.A N GLN 373.A OE1 no hydrogen 2.826 N/A GLN 373.A NE2 HIS 371.A ND1 no hydrogen 3.391 N/A TRP 374.A N HIS 371.A O no hydrogen 3.054 N/A LEU 375.A N PRO 372.A O no hydrogen 3.229 N/A GLY 376.A N GLU 143.A OE1 no hydrogen 3.087 N/A GLY 376.A N GLU 143.A OE2 no hydrogen 3.205 N/A ALA 377.A N TRP 374.A O no hydrogen 3.248 N/A HIS 380.A ND1 GLU 143.A OE2 no hydrogen 2.750 N/A ARG 381.A N ALA 377.A O no hydrogen 3.024 N/A ARG 381.A NE GLY 376.A O no hydrogen 3.227 N/A ARG 381.A NH1 GLU 550.A OE2 no hydrogen 2.979 N/A THR 382.A N ALA 378.A O no hydrogen 2.953 N/A THR 382.A OG1 ALA 378.A O no hydrogen 3.134 N/A LEU 383.A N GLU 379.A O no hydrogen 3.085 N/A ALA 384.A N HIS 380.A O no hydrogen 2.932 N/A ARG 385.A N ARG 381.A O no hydrogen 2.881 N/A ARG 385.A NE ASP 556.A OD2 no hydrogen 2.757 N/A ARG 385.A NH2 ASP 556.A OD1 no hydrogen 2.794 N/A ARG 385.A NH2 ASP 556.A OD2 no hydrogen 3.465 N/A GLU 386.A N THR 382.A O no hydrogen 3.144 N/A ALA 387.A N LEU 383.A O no hydrogen 2.982 N/A VAL 388.A N ALA 384.A O no hydrogen 2.792 N/A ARG 389.A N ARG 385.A O no hydrogen 3.015 N/A ARG 389.A NH1 ASP 556.A OD2 no hydrogen 2.932 N/A LYS 390.A N GLU 386.A O no hydrogen 3.060 N/A LYS 390.A NZ ASP 129.A OD2 no hydrogen 2.804 N/A LYS 390.A NZ GLU 386.A OE2 no hydrogen 2.793 N/A SER 391.A N ALA 387.A O no hydrogen 2.961 N/A SER 391.A N VAL 388.A O no hydrogen 3.079 N/A SER 391.A OG ALA 387.A O no hydrogen 3.510 N/A SER 391.A OG VAL 388.A O no hydrogen 2.767 N/A VAL 393.A N ALA 543.A O no hydrogen 2.948 N/A LEU 395.A N PHE 541.A O no hydrogen 2.986 N/A LYS 396.A N PHE 541.A O no hydrogen 3.335 N/A LYS 396.A NZ LEU 535.A O no hydrogen 2.927 N/A LYS 396.A NZ SER 538.A O no hydrogen 2.774 N/A ASN 397.A ND2 LEU 402.A O no hydrogen 3.113 N/A ASN 398.A N ASP 539.A O no hydrogen 2.862 N/A ASN 398.A ND2 VAL 612.A O no hydrogen 3.119 N/A GLU 399.A N ASN 611.A OD1 no hydrogen 2.927 N/A SER 400.A N ASN 397.A O no hydrogen 3.167 N/A ILE 401.A N ASN 398.A O no hydrogen 3.323 N/A LEU 402.A N ASN 397.A OD1 no hydrogen 2.913 N/A ILE 404.A N LEU 558.A O no hydrogen 2.841 N/A ALA 406.A N THR 560.A OG1 no hydrogen 3.089 N/A SER 408.A N LYS 405.A O no hydrogen 3.041 N/A SER 408.A OG LYS 405.A O no hydrogen 2.745 N/A ARG 409.A N ASP 475.A OD2 no hydrogen 2.920 N/A ILE 410.A N LYS 461.A O no hydrogen 2.790 N/A LEU 411.A N VAL 476.A O no hydrogen 3.101 N/A VAL 412.A N THR 463.A O no hydrogen 2.829 N/A ALA 413.A N ILE 478.A O no hydrogen 2.957 N/A GLY 414.A N GLU 466.A O no hydrogen 2.927 N/A GLY 416.A N VAL 480.A O no hydrogen 2.878 N/A ALA 417.A N GLY 414.A O no hydrogen 3.101 N/A ILE 420.A N ASN 438.A OD1 no hydrogen 2.978 N/A ASN 421.A ND2 GLY 433.A O no hydrogen 3.216 N/A MET 422.A N ALA 419.A O no hydrogen 3.106 N/A GLN 423.A N ALA 419.A O no hydrogen 3.341 N/A GLN 423.A NE2 THR 445.A O no hydrogen 2.989 N/A GLN 423.A NE2 GLY 548.A O no hydrogen 2.897 N/A ALA 424.A N ILE 420.A O no hydrogen 2.872 N/A GLY 425.A N ASN 421.A O no hydrogen 3.024 N/A TRP 427.A N TRP 431.A O no hydrogen 2.844 N/A TRP 427.A NE1 GLU 170.A OE2 no hydrogen 3.076 N/A SER 428.A N SER 430.A O no hydrogen 2.878 N/A SER 428.A OG HIS 107.A NE2 no hydrogen 3.053 N/A SER 428.A OG ALA 424.A O no hydrogen 3.402 N/A SER 428.A OG GLY 425.A O no hydrogen 3.032 N/A SER 428.A OG GLY 426.A O no hydrogen 3.226 N/A VAL 429.A N SER 110.A O no hydrogen 2.705 N/A SER 430.A OG ASN 436.A OD1 no hydrogen 3.346 N/A TRP 431.A NE1 GLU 488.A OE1 no hydrogen 2.861 N/A GLN 432.A NE2 ALA 487.A O no hydrogen 3.014 N/A GLY 433.A N SER 430.A OG no hydrogen 3.303 N/A ASN 436.A N GLY 433.A O no hydrogen 3.202 N/A ASN 436.A ND2 SER 428.A O no hydrogen 2.882 N/A THR 437.A N ASP 440.A OD2 no hydrogen 2.862 N/A THR 437.A OG1 SER 439.A OG no hydrogen 3.159 N/A ASN 438.A ND2 ASN 418.A O no hydrogen 2.842 N/A SER 439.A OG THR 437.A OG1 no hydrogen 3.159 N/A ASP 440.A N THR 437.A O no hydrogen 2.908 N/A PHE 441.A N ASN 438.A O no hydrogen 3.113 N/A ALA 444.A N PHE 441.A O no hydrogen 3.179 N/A THR 445.A N SER 549.A O no hydrogen 2.820 N/A SER 446.A OG ASN 418.A OD1 no hydrogen 2.634 N/A PHE 448.A N ALA 417.A O no hydrogen 2.871 N/A SER 449.A N SER 446.A OG no hydrogen 3.006 N/A GLY 450.A N SER 446.A O no hydrogen 3.088 N/A LEU 451.A N ILE 447.A O no hydrogen 3.086 N/A GLN 452.A N PHE 448.A O no hydrogen 2.824 N/A SER 453.A N SER 449.A O no hydrogen 3.003 N/A GLN 454.A N GLY 450.A O no hydrogen 3.399 N/A GLN 454.A NE2 GLU 552.A OE2 no hydrogen 2.899 N/A GLN 454.A NE2 ASP 556.A OD1 no hydrogen 2.837 N/A VAL 455.A N LEU 451.A O no hydrogen 2.893 N/A THR 456.A N GLN 452.A O no hydrogen 2.930 N/A THR 456.A OG1 GLN 452.A O no hydrogen 3.016 N/A LYS 457.A N SER 453.A O no hydrogen 3.231 N/A LYS 457.A NZ SER 453.A OG no hydrogen 3.118 N/A ALA 458.A N GLN 454.A O no hydrogen 3.080 N/A ALA 458.A N VAL 455.A O no hydrogen 3.164 N/A GLY 459.A N THR 456.A O no hydrogen 3.064 N/A GLY 460.A N VAL 455.A O no hydrogen 2.835 N/A LYS 461.A N SER 408.A O no hydrogen 3.016 N/A THR 463.A N ILE 410.A O no hydrogen 3.041 N/A SER 465.A N VAL 412.A O no hydrogen 2.953 N/A SER 465.A OG GLU 469.A O no hydrogen 3.398 N/A GLY 468.A N SER 465.A O no hydrogen 2.795 N/A GLU 469.A N SER 465.A OG no hydrogen 2.848 N/A TYR 470.A OH ASP 515.A OD1 no hydrogen 2.439 N/A LYS 473.A NZ ASP 515.A O no hydrogen 2.948 N/A ASP 475.A N ARG 409.A O no hydrogen 2.827 N/A ALA 477.A N PRO 518.A O no hydrogen 2.905 N/A ILE 478.A N LEU 411.A O no hydrogen 2.812 N/A VAL 479.A N VAL 520.A O no hydrogen 2.801 N/A VAL 480.A N ALA 413.A O no hydrogen 2.818 N/A ILE 481.A N VAL 522.A O no hydrogen 3.004 N/A GLU 483.A N LEU 524.A O no hydrogen 2.898 N/A TYR 486.A OH GLU 483.A OE1 no hydrogen 2.760 N/A ALA 487.A N GLN 432.A OE1 no hydrogen 2.939 N/A GLY 491.A N GLU 488.A O no hydrogen 2.920 N/A ASP 492.A N TRP 489.A O no hydrogen 3.009 N/A ILE 493.A N ARG 164.A O no hydrogen 3.013 N/A PHE 498.A N TRP 530.A O no hydrogen 3.229 N/A THR 502.A N GLN 499.A O no hydrogen 3.051 N/A LYS 503.A N GLN 499.A O no hydrogen 2.798 N/A LYS 503.A NZ GLU 497.A OE2 no hydrogen 2.865 N/A LYS 503.A NZ PHE 498.A O no hydrogen 2.896 N/A LYS 503.A NZ GLU 534.A OE2 no hydrogen 2.775 N/A ALA 505.A N GLN 499.A OE1 no hydrogen 2.911 N/A ALA 507.A N LYS 503.A O no hydrogen 3.284 N/A LEU 508.A N HIS 504.A O no hydrogen 3.368 N/A LEU 509.A N ALA 505.A O no hydrogen 2.974 N/A LYS 510.A N LEU 506.A O no hydrogen 2.898 N/A GLN 511.A N ALA 507.A O no hydrogen 2.978 N/A LEU 512.A N LEU 508.A O no hydrogen 3.162 N/A LYS 513.A N LEU 509.A O no hydrogen 2.957 N/A LYS 513.A NZ ASN 536.A O no hydrogen 3.153 N/A ALA 514.A N LYS 510.A O no hydrogen 2.825 N/A ASP 515.A N LEU 512.A O no hydrogen 3.038 N/A ASN 516.A N LYS 513.A O no hydrogen 2.846 N/A ILE 517.A N LEU 512.A O no hydrogen 3.179 N/A VAL 519.A N ASP 539.A OD1 no hydrogen 2.802 N/A VAL 520.A N ALA 477.A O no hydrogen 2.843 N/A THR 521.A N ALA 540.A O no hydrogen 2.848 N/A THR 521.A OG1 SER 538.A OG no hydrogen 2.731 N/A VAL 522.A N VAL 479.A O no hydrogen 2.834 N/A PHE 523.A N VAL 542.A O no hydrogen 2.835 N/A LEU 524.A N ILE 481.A O no hydrogen 2.803 N/A SER 525.A N TRP 545.A O no hydrogen 3.061 N/A SER 525.A OG ARG 527.A O no hydrogen 2.823 N/A GLY 526.A N GLU 483.A OE1 no hydrogen 2.864 N/A ARG 527.A NE GLU 483.A OE2 no hydrogen 2.986 N/A ARG 527.A NH1 ASP 163.A O no hydrogen 3.138 N/A ARG 527.A NH1 GLY 491.A O no hydrogen 3.006 N/A ARG 527.A NH2 GLU 483.A OE2 no hydrogen 2.969 N/A ARG 527.A NH2 GLY 491.A O no hydrogen 2.896 N/A TRP 530.A N LEU 496.A O no hydrogen 2.823 N/A TRP 530.A NE1 LYS 580.A O no hydrogen 2.794 N/A ASN 532.A ND2 LYS 580.A O no hydrogen 3.226 N/A ASN 532.A ND2 SER 616.A O no hydrogen 2.903 N/A LYS 533.A NZ GLU 497.A OE2 no hydrogen 2.771 N/A GLU 534.A N GLU 534.A OE1 no hydrogen 2.760 N/A LEU 535.A N VAL 531.A O no hydrogen 2.796 N/A ASN 536.A N ASN 532.A O no hydrogen 2.928 N/A ASN 536.A ND2 LEU 615.A O no hydrogen 2.874 N/A ASN 536.A ND2 GLU 617.A OE2 no hydrogen 2.855 N/A ALA 537.A N LYS 533.A O no hydrogen 3.196 N/A ALA 537.A N GLU 534.A O no hydrogen 3.099 N/A SER 538.A N LEU 535.A O no hydrogen 3.074 N/A SER 538.A OG THR 521.A OG1 no hydrogen 2.731 N/A SER 538.A OG GLU 534.A O no hydrogen 2.750 N/A ASP 539.A N VAL 519.A O no hydrogen 2.899 N/A ALA 540.A N VAL 519.A O no hydrogen 3.184 N/A PHE 541.A N LYS 396.A O no hydrogen 2.850 N/A VAL 542.A N THR 521.A O no hydrogen 2.772 N/A ALA 543.A N VAL 393.A O no hydrogen 2.826 N/A ALA 544.A N PHE 523.A O no hydrogen 2.945 N/A GLY 548.A N GLN 423.A O no hydrogen 3.077 N/A SER 549.A N LEU 117.A O no hydrogen 2.936 N/A SER 549.A OG LEU 117.A O no hydrogen 3.266 N/A SER 549.A OG GLU 550.A OE2 no hydrogen 2.721 N/A GLY 551.A N THR 445.A O no hydrogen 2.923 N/A GLY 553.A N GLU 550.A O no hydrogen 3.149 N/A VAL 554.A N GLY 551.A O no hydrogen 3.094 N/A ASP 556.A N GLU 552.A O no hydrogen 3.059 N/A VAL 557.A N VAL 554.A O no hydrogen 3.251 N/A LEU 558.A N VAL 554.A O no hydrogen 3.000 N/A LEU 559.A N ALA 555.A O no hydrogen 3.010 N/A THR 560.A N ILE 404.A O no hydrogen 2.930 N/A THR 560.A OG1 ASN 561.A O no hydrogen 2.846 N/A ASN 561.A N LYS 565.A O no hydrogen 2.818 N/A GLY 564.A N ASN 561.A O no hydrogen 3.021 N/A LYS 565.A N ASN 561.A OD1 no hydrogen 3.005 N/A GLN 567.A NE2 GLN 454.A OE1 no hydrogen 2.793 N/A GLN 567.A NE2 LEU 559.A O no hydrogen 3.005 N/A PHE 570.A N ASP 569.A OD1 no hydrogen 2.699 N/A LYS 573.A N ALA 126.A O no hydrogen 2.967 N/A LYS 573.A NZ GLY 603.A O no hydrogen 2.780 N/A LEU 574.A N TYR 602.A O no hydrogen 2.873 N/A SER 575.A OG ILE 122.A O no hydrogen 3.418 N/A SER 575.A OG TYR 172.A O no hydrogen 2.830 N/A SER 577.A N GLU 174.A OE1 no hydrogen 2.748 N/A SER 577.A OG GLU 174.A OE1 no hydrogen 3.459 N/A SER 577.A OG GLU 174.A OE2 no hydrogen 2.637 N/A SER 577.A OG TYR 594.A OH no hydrogen 2.537 N/A TRP 578.A N PHE 598.A O no hydrogen 2.990 N/A LYS 580.A N GLN 584.A OE1 no hydrogen 2.630 N/A LYS 580.A NZ ASP 595.A OD1 no hydrogen 2.880 N/A TYR 581.A N GLN 584.A OE1 no hydrogen 3.265 N/A GLN 584.A N TYR 581.A O no hydrogen 3.378 N/A GLN 584.A NE2 ASP 595.A O no hydrogen 2.879 N/A ASN 588.A N ASP 591.A OD2 no hydrogen 2.903 N/A ASN 588.A ND2 ARG 161.A O no hydrogen 3.049 N/A LEU 589.A N GLU 174.A OE2 no hydrogen 2.944 N/A ASP 591.A N ASN 588.A O no hydrogen 2.967 N/A TYR 594.A OH SER 577.A OG no hydrogen 2.537 N/A LEU 597.A N TRP 578.A O no hydrogen 2.774 N/A PHE 598.A N TRP 578.A O no hydrogen 3.420 N/A TYR 600.A N TYR 594.A OH no hydrogen 3.015 N/A GLY 601.A N LEU 574.A O no hydrogen 2.802 N/A TYR 602.A N ALA 599.A O no hydrogen 2.902 N/A TYR 602.A OH LEU 395.A O no hydrogen 2.829 N/A LEU 604.A N LEU 394.A O no hydrogen 2.958 N/A THR 605.A N ASP 608.A OD2 no hydrogen 2.869 N/A TYR 606.A N ASP 569.A OD1 no hydrogen 2.813 N/A TYR 606.A OH VAL 557.A O no hydrogen 2.618 N/A GLN 607.A N THR 605.A OG1 no hydrogen 3.110 N/A ASP 608.A N THR 605.A O no hydrogen 3.018 N/A ASN 611.A ND2 GLU 399.A OE2 no hydrogen 3.198 N/A VAL 612.A N ASN 398.A OD1 no hydrogen 2.822 N/A LEU 615.A N ASN 536.A OD1 no hydrogen 2.781 N/A LYS 618.A N SER 616.A OG no hydrogen 3.207 N/A SER 620.A N ASP 582.A OD1 no hydrogen 3.340 N/A SER 620.A N ASP 582.A OD2 no hydrogen 3.048 N/A SER 620.A OG ASP 582.A OD1 no hydrogen 2.833 N/A SER 620.A OG ASP 582.A OD2 no hydrogen 3.382 N/A