Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8rxr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A N SER 3.A OG no hydrogen 3.138 N/A HIS 5.A ND1 SER 3.A OG no hydrogen 3.003 N/A LEU 7.A N ASP 4.A O no hydrogen 3.132 N/A THR 13.A N ASN 10.A OD1 no hydrogen 2.651 N/A THR 13.A OG1 ASN 10.A OD1 no hydrogen 3.236 N/A ARG 14.A N ASN 10.A O no hydrogen 3.006 N/A ARG 14.A NH2 PRO 9.A O no hydrogen 2.993 N/A ASP 15.A N ALA 11.A O no hydrogen 3.208 N/A GLN 16.A N ALA 12.A O no hydrogen 3.399 N/A LEU 17.A N THR 13.A O no hydrogen 2.962 N/A ASN 18.A N ARG 14.A O no hydrogen 2.935 N/A ILE 19.A N ASP 15.A O no hydrogen 3.213 N/A ILE 20.A N GLN 16.A O no hydrogen 3.154 N/A VAL 21.A N LEU 17.A O no hydrogen 2.821 N/A SER 22.A N ASN 18.A O no hydrogen 3.053 N/A SER 22.A OG ASN 18.A O no hydrogen 3.119 N/A SER 22.A OG ILE 19.A O no hydrogen 2.866 N/A TYR 23.A N ILE 20.A O no hydrogen 3.217 N/A TYR 23.A OH GLU 33.A OE2 no hydrogen 2.535 N/A THR 26.A OG1 GLN 510.A OE1 no hydrogen 2.626 N/A LYS 27.A N PRO 24.A O no hydrogen 3.001 N/A GLN 28.A NE2 LEU 29.A O no hydrogen 2.890 N/A THR 30.A N GLU 33.A OE1 no hydrogen 2.733 N/A GLU 33.A N THR 30.A OG1 no hydrogen 3.209 N/A GLN 34.A N THR 30.A O no hydrogen 2.897 N/A GLN 34.A NE2 LEU 29.A O no hydrogen 3.171 N/A ASP 35.A N TYR 31.A O no hydrogen 2.899 N/A LEU 36.A N GLU 32.A O no hydrogen 3.005 N/A VAL 37.A N GLU 33.A O no hydrogen 2.943 N/A TRP 38.A N GLN 34.A O no hydrogen 3.027 N/A LYS 39.A N ASP 35.A O no hydrogen 2.876 N/A PHE 40.A N LEU 36.A O no hydrogen 3.191 N/A ARG 41.A N TRP 38.A O no hydrogen 2.955 N/A ARG 41.A NE GLN 68.A OE1 no hydrogen 3.310 N/A ARG 41.A NH1 ASP 4.A OD2 no hydrogen 3.364 N/A ARG 41.A NH1 TRP 38.A O no hydrogen 2.946 N/A ARG 41.A NH2 ASP 4.A OD2 no hydrogen 3.011 N/A ARG 41.A NH2 GLN 68.A OE1 no hydrogen 3.221 N/A TYR 42.A OH GLN 68.A OE1 no hydrogen 2.663 N/A LEU 44.A N PHE 40.A O no hydrogen 3.023 N/A LEU 44.A N ARG 41.A O no hydrogen 3.089 N/A THR 45.A N TYR 42.A O no hydrogen 3.402 N/A THR 45.A OG1 TYR 42.A O no hydrogen 2.823 N/A ASN 46.A ND2 TYR 43.A O no hydrogen 3.537 N/A GLN 47.A N LEU 44.A O no hydrogen 2.738 N/A GLU 48.A N GLU 48.A OE2 no hydrogen 2.593 N/A LYS 49.A NZ ASP 80.A OD2 no hydrogen 2.886 N/A LYS 49.A NZ GLU 82.A OE1 no hydrogen 2.998 N/A LYS 49.A NZ ASP 83.A OD2 no hydrogen 2.970 N/A ALA 50.A N GLN 47.A O no hydrogen 2.976 N/A LEU 51.A N GLU 48.A O no hydrogen 3.383 N/A LYS 53.A NZ VAL 21.A O no hydrogen 2.899 N/A LYS 53.A NZ TYR 23.A O no hydrogen 3.022 N/A PHE 54.A N ALA 50.A O no hydrogen 2.862 N/A LEU 55.A N LEU 51.A O no hydrogen 2.939 N/A LYS 56.A N THR 52.A O no hydrogen 3.260 N/A LYS 56.A N LYS 53.A O no hydrogen 3.012 N/A CYS 57.A N PHE 54.A O no hydrogen 2.862 N/A CYS 57.A SG GLN 34.A O no hydrogen 3.697 N/A CYS 57.A SG LYS 53.A O no hydrogen 3.208 N/A ASN 59.A N GLU 65.A OE1 no hydrogen 3.247 N/A ASP 61.A N ASN 59.A OD1 no hydrogen 2.901 N/A ALA 66.A N LEU 62.A O no hydrogen 2.986 N/A LYS 67.A N PRO 63.A O no hydrogen 3.133 N/A GLN 68.A N GLN 64.A O no hydrogen 3.238 N/A ALA 69.A N GLU 65.A O no hydrogen 2.737 N/A LEU 70.A N ALA 66.A O no hydrogen 3.046 N/A GLU 71.A N LYS 67.A O no hydrogen 2.954 N/A LEU 72.A N GLN 68.A O no hydrogen 2.918 N/A LEU 73.A N ALA 69.A O no hydrogen 2.880 N/A GLY 74.A N LEU 70.A O no hydrogen 3.191 N/A LYS 75.A N GLU 71.A O no hydrogen 3.227 N/A LYS 75.A N LEU 72.A O no hydrogen 2.890 N/A TRP 76.A N LEU 73.A O no hydrogen 3.373 N/A TRP 76.A NE1 GLN 47.A O no hydrogen 2.865 N/A LYS 77.A N THR 45.A O no hydrogen 3.018 N/A LYS 77.A NZ GLU 48.A OE2 no hydrogen 3.323 N/A MET 79.A N TYR 100.A OH no hydrogen 3.117 N/A ASP 83.A N ASP 80.A O no hydrogen 3.116 N/A SER 84.A N ASP 80.A O no hydrogen 3.117 N/A SER 84.A OG VAL 81.A O no hydrogen 2.625 N/A GLU 86.A N ASP 83.A O no hydrogen 3.001 N/A LEU 87.A N SER 84.A O no hydrogen 3.016 N/A LEU 88.A N LEU 85.A O no hydrogen 3.149 N/A SER 89.A N GLU 86.A O no hydrogen 3.391 N/A SER 89.A OG GLU 86.A O no hydrogen 3.123 N/A HIS 91.A N SER 89.A OG no hydrogen 3.256 N/A TYR 92.A N SER 89.A O no hydrogen 3.411 N/A VAL 97.A N ASN 94.A OD1 no hydrogen 3.013 N/A ARG 98.A N ASN 94.A O no hydrogen 3.023 N/A ARG 98.A NE GLU 127.A OE2 no hydrogen 2.891 N/A ARG 98.A NH1 LEU 88.A O no hydrogen 3.264 N/A ARG 98.A NH1 SER 89.A O no hydrogen 2.898 N/A ARG 98.A NH1 TYR 92.A O no hydrogen 2.812 N/A ARG 98.A NH2 LEU 88.A O no hydrogen 2.825 N/A ARG 98.A NH2 GLU 127.A OE2 no hydrogen 2.876 N/A ARG 99.A N PRO 95.A O no hydrogen 2.940 N/A TYR 100.A N THR 96.A O no hydrogen 2.938 N/A ALA 101.A N VAL 97.A O no hydrogen 2.957 N/A VAL 102.A N ARG 98.A O no hydrogen 3.261 N/A ALA 103.A N ARG 99.A O no hydrogen 2.879 N/A ARG 104.A N TYR 100.A O no hydrogen 2.971 N/A ARG 104.A NE MET 79.A O no hydrogen 2.874 N/A ARG 104.A NH1 MET 79.A O no hydrogen 3.325 N/A LEU 105.A N ALA 101.A O no hydrogen 2.761 N/A ARG 106.A N VAL 102.A O no hydrogen 2.792 N/A ARG 106.A NE GLN 140.A OE1 no hydrogen 2.781 N/A ARG 106.A NH2 GLN 140.A OE1 no hydrogen 3.551 N/A GLN 107.A N ARG 104.A O no hydrogen 3.061 N/A GLN 107.A NE2 ALA 103.A O no hydrogen 2.957 N/A ALA 108.A N LEU 105.A O no hydrogen 3.004 N/A ASP 112.A N ASP 109.A OD1 no hydrogen 2.949 N/A LEU 113.A N ASP 109.A O no hydrogen 3.064 N/A LEU 114.A N ASP 110.A O no hydrogen 3.007 N/A MET 115.A N GLU 111.A O no hydrogen 3.404 N/A TYR 116.A N LEU 113.A O no hydrogen 3.162 N/A LEU 117.A N LEU 114.A O no hydrogen 3.339 N/A GLN 119.A NE2 GLN 316.A OE1 no hydrogen 2.978 N/A LEU 120.A N TYR 116.A O no hydrogen 2.941 N/A VAL 121.A N LEU 117.A O no hydrogen 2.881 N/A GLN 122.A N LEU 118.A O no hydrogen 3.378 N/A GLN 122.A NE2 GLU 167.A OE2 no hydrogen 2.819 N/A ALA 123.A N GLN 119.A O no hydrogen 2.937 N/A LEU 124.A N VAL 121.A O no hydrogen 3.295 N/A LYS 125.A N GLN 122.A O no hydrogen 2.957 N/A LYS 125.A NZ GLN 122.A OE1 no hydrogen 3.494 N/A TYR 126.A N ALA 123.A O no hydrogen 2.867 N/A TYR 126.A OH ASP 492.A OD2 no hydrogen 2.600 N/A GLU 127.A N LEU 124.A O no hydrogen 3.073 N/A ASP 131.A N ASN 128.A OD1 no hydrogen 2.907 N/A ILE 132.A N ASN 128.A O no hydrogen 3.272 N/A LYS 133.A N PHE 129.A O no hydrogen 3.093 N/A ASN 134.A N ASP 130.A O no hydrogen 2.900 N/A GLY 135.A N ASP 131.A O no hydrogen 3.257 N/A LEU 136.A N LYS 133.A O no hydrogen 3.065 N/A GLU 137.A N GLN 193.A OE1 no hydrogen 2.824 N/A LEU 142.A N GLU 127.A OE1 no hydrogen 3.083 N/A THR 144.A N ASP 141.A OD1 no hydrogen 3.016 N/A THR 144.A OG1 ASP 141.A OD1 no hydrogen 2.600 N/A PHE 145.A N ASP 141.A O no hydrogen 3.105 N/A LEU 146.A N LEU 142.A O no hydrogen 2.971 N/A ILE 147.A N CYS 143.A O no hydrogen 3.177 N/A SER 148.A N THR 144.A O no hydrogen 2.920 N/A ARG 149.A N PHE 145.A O no hydrogen 3.003 N/A ARG 149.A NE ASP 110.A OD1 no hydrogen 3.114 N/A ARG 149.A NH1 ALA 108.A O no hydrogen 2.912 N/A ARG 149.A NH1 ASP 110.A OD1 no hydrogen 2.845 N/A ARG 149.A NH2 ARG 106.A O no hydrogen 3.077 N/A ALA 150.A N LEU 146.A O no hydrogen 2.854 N/A CYS 151.A N ILE 147.A O no hydrogen 2.866 N/A CYS 151.A SG ILE 147.A O no hydrogen 3.419 N/A LYS 152.A N ARG 149.A O no hydrogen 3.125 N/A ASN 153.A N ALA 150.A O no hydrogen 2.985 N/A ASN 153.A ND2 ASP 110.A OD2 no hydrogen 2.717 N/A LEU 156.A N ASN 153.A OD1 no hydrogen 3.129 N/A ALA 157.A N ASN 153.A O no hydrogen 2.865 N/A ASN 158.A N SER 154.A O no hydrogen 2.941 N/A ASN 158.A ND2 GLN 212.A OE1 no hydrogen 2.868 N/A TYR 159.A N THR 155.A O no hydrogen 3.143 N/A TYR 159.A OH LEU 262.A O no hydrogen 3.187 N/A LEU 160.A N LEU 156.A O no hydrogen 2.911 N/A TYR 161.A N ALA 157.A O no hydrogen 2.947 N/A TYR 161.A OH GLN 213.A OE1 no hydrogen 2.531 N/A TRP 162.A N ASN 158.A O no hydrogen 3.193 N/A TRP 162.A NE1 GLN 212.A OE1 no hydrogen 3.096 N/A TYR 163.A N TYR 159.A O no hydrogen 2.838 N/A VAL 164.A N LEU 160.A O no hydrogen 3.055 N/A ILE 165.A N TYR 161.A O no hydrogen 2.852 N/A VAL 166.A N TRP 162.A O no hydrogen 3.102 N/A GLU 167.A N TYR 163.A O no hydrogen 3.438 N/A CYS 168.A N VAL 164.A O no hydrogen 2.845 N/A CYS 168.A SG VAL 164.A O no hydrogen 3.359 N/A GLU 169.A N ILE 165.A O no hydrogen 2.957 N/A GLU 169.A N VAL 166.A O no hydrogen 3.197 N/A ASP 170.A N GLU 167.A O no hydrogen 3.312 N/A THR 173.A N ASP 170.A OD1 no hydrogen 3.234 N/A GLN 174.A N ASP 170.A O no hydrogen 3.131 N/A GLN 175.A N GLN 171.A O no hydrogen 3.000 N/A ARG 176.A N ASP 172.A O no hydrogen 2.768 N/A ARG 176.A NE ASP 172.A OD1 no hydrogen 3.385 N/A ASP 177.A N THR 173.A O no hydrogen 2.749 N/A THR 180.A N ASP 177.A O no hydrogen 3.045 N/A HIS 181.A N ASP 177.A O no hydrogen 3.148 N/A HIS 181.A NE2 CYS 168.A O no hydrogen 2.676 N/A GLU 182.A N PRO 178.A O no hydrogen 2.815 N/A MET 183.A N LYS 179.A O no hydrogen 2.919 N/A TYR 184.A N THR 180.A O no hydrogen 3.095 N/A TYR 184.A OH VAL 121.A O no hydrogen 2.723 N/A LEU 185.A N HIS 181.A O no hydrogen 3.117 N/A ASN 186.A N GLU 182.A O no hydrogen 2.964 N/A VAL 187.A N MET 183.A O no hydrogen 2.864 N/A MET 188.A N TYR 184.A O no hydrogen 3.018 N/A ARG 189.A N LEU 185.A O no hydrogen 3.092 N/A ARG 189.A NH1 GLU 182.A OE1 no hydrogen 2.922 N/A ARG 189.A NH1 ASN 186.A OD1 no hydrogen 2.832 N/A ARG 190.A N ASN 186.A O no hydrogen 2.761 N/A ARG 190.A NH1 ILE 132.A O no hydrogen 2.936 N/A ARG 190.A NH2 THR 144.A OG1 no hydrogen 3.087 N/A PHE 191.A N VAL 187.A O no hydrogen 2.839 N/A SER 192.A N MET 188.A O no hydrogen 2.892 N/A GLN 193.A N ARG 189.A O no hydrogen 2.862 N/A GLN 193.A NE2 GLY 135.A O no hydrogen 3.069 N/A ALA 194.A N ARG 190.A O no hydrogen 3.063 N/A LEU 195.A N PHE 191.A O no hydrogen 3.003 N/A LEU 196.A N SER 192.A O no hydrogen 2.996 N/A LEU 196.A N GLN 193.A O no hydrogen 3.228 N/A LYS 197.A N GLN 193.A O no hydrogen 3.261 N/A LYS 197.A N ALA 194.A O no hydrogen 3.192 N/A GLY 198.A N LEU 195.A O no hydrogen 3.102 N/A SER 201.A OG ASP 199.A OD1 no hydrogen 2.606 N/A SER 201.A OG ASP 199.A OD2 no hydrogen 3.508 N/A VAL 202.A N ASP 199.A OD1 no hydrogen 2.962 N/A ARG 203.A N ASP 199.A O no hydrogen 3.036 N/A ARG 203.A NE GLY 198.A O no hydrogen 3.286 N/A ARG 203.A NH2 GLY 198.A O no hydrogen 3.469 N/A VAL 204.A N LYS 200.A O no hydrogen 2.948 N/A MET 205.A N SER 201.A O no hydrogen 2.965 N/A ARG 206.A N VAL 202.A O no hydrogen 2.985 N/A ARG 206.A NE SER 192.A OG no hydrogen 3.161 N/A SER 207.A N ARG 203.A O no hydrogen 3.067 N/A SER 207.A OG VAL 204.A O no hydrogen 2.702 N/A LEU 208.A N VAL 204.A O no hydrogen 2.959 N/A LEU 208.A N MET 205.A O no hydrogen 3.126 N/A LEU 209.A N MET 205.A O no hydrogen 3.115 N/A ALA 210.A N ARG 206.A O no hydrogen 3.237 N/A ALA 211.A N SER 207.A O no hydrogen 2.977 N/A GLN 212.A N LEU 208.A O no hydrogen 3.085 N/A GLN 212.A NE2 ASN 158.A OD1 no hydrogen 2.805 N/A GLN 212.A NE2 LEU 208.A O no hydrogen 3.181 N/A GLN 213.A N LEU 209.A O no hydrogen 3.012 N/A GLN 213.A NE2 GLN 213.A O no hydrogen 3.207 N/A GLN 213.A NE2 ASP 217.A OD1 no hydrogen 3.068 N/A THR 214.A N ALA 210.A O no hydrogen 3.000 N/A THR 214.A OG1 ALA 211.A O no hydrogen 3.189 N/A PHE 215.A N ALA 211.A O no hydrogen 3.019 N/A VAL 216.A N GLN 212.A O no hydrogen 2.926 N/A ASP 217.A N GLN 213.A O no hydrogen 2.864 N/A ARG 218.A N THR 214.A O no hydrogen 3.056 N/A ARG 218.A NE MET 250.A O no hydrogen 2.847 N/A ARG 218.A NE ASN 251.A O no hydrogen 3.276 N/A ARG 218.A NH1 THR 214.A OG1 no hydrogen 3.233 N/A ARG 218.A NH2 ASN 251.A O no hydrogen 2.709 N/A LEU 219.A N PHE 215.A O no hydrogen 3.038 N/A VAL 220.A N VAL 216.A O no hydrogen 2.867 N/A HIS 221.A N ASP 217.A O no hydrogen 3.035 N/A LEU 222.A N ARG 218.A O no hydrogen 2.923 N/A MET 223.A N LEU 219.A O no hydrogen 2.919 N/A LYS 224.A N VAL 220.A O no hydrogen 2.971 N/A ALA 225.A N HIS 221.A O no hydrogen 3.133 N/A VAL 226.A N LEU 222.A O no hydrogen 2.965 N/A GLN 227.A N MET 223.A O no hydrogen 2.787 N/A GLN 227.A NE2 MET 284.A O.A no hydrogen 3.233 N/A GLN 227.A NE2 MET 284.A O.B no hydrogen 3.202 N/A GLN 227.A NE2 HIS 304.A O no hydrogen 3.438 N/A ARG 228.A N LYS 224.A O no hydrogen 3.075 N/A GLU 229.A N VAL 226.A O no hydrogen 3.231 N/A GLY 231.A N GLU 229.A OE1 no hydrogen 3.289 N/A LYS 234.A NZ GLU 238.A OE2 no hydrogen 3.030 N/A LYS 235.A N ASN 232.A OD1 no hydrogen 3.004 N/A LYS 236.A N ASN 232.A O no hydrogen 2.964 N/A LYS 236.A NZ GLU 229.A O no hydrogen 3.353 N/A ASN 237.A N ARG 233.A O no hydrogen 2.802 N/A GLU 238.A N LYS 234.A O no hydrogen 3.015 N/A ARG 239.A N LYS 235.A O no hydrogen 3.006 N/A LEU 240.A N LYS 236.A O no hydrogen 2.813 N/A GLN 241.A N ASN 237.A O no hydrogen 2.944 N/A GLN 241.A NE2 ALA 276.A O no hydrogen 2.907 N/A ALA 242.A N GLU 238.A O no hydrogen 2.894 N/A LEU 243.A N ARG 239.A O no hydrogen 3.016 N/A LEU 244.A N LEU 240.A O no hydrogen 3.102 N/A GLY 245.A N GLN 241.A O no hydrogen 2.858 N/A ASP 246.A N LEU 243.A O no hydrogen 3.244 N/A ASN 247.A ND2 ASP 254.A O no hydrogen 3.025 N/A LYS 249.A N ASP 246.A OD1 no hydrogen 3.170 N/A MET 250.A N ASP 246.A O no hydrogen 2.876 N/A ASN 251.A N ASN 247.A O no hydrogen 2.825 N/A SER 253.A N ASN 247.A OD1 no hydrogen 2.980 N/A SER 253.A OG ASN 247.A OD1 no hydrogen 3.230 N/A SER 253.A OG ASP 254.A OD2 no hydrogen 3.080 N/A ASP 254.A N ASN 247.A OD1 no hydrogen 2.860 N/A VAL 255.A N ARG 269.A O no hydrogen 2.828 N/A ILE 258.A N ILE 268.A O no hydrogen 3.015 N/A LEU 260.A N VAL 266.A O no hydrogen 2.762 N/A GLU 263.A N LEU 260.A O no hydrogen 2.864 N/A GLN 265.A N GLN 265.A OE1.A no hydrogen 2.904 N/A VAL 266.A N GLU 263.A O no hydrogen 2.849 N/A LYS 267.A NZ PRO 264.A O no hydrogen 2.756 N/A ILE 268.A N ILE 258.A O no hydrogen 2.810 N/A ARG 269.A N LYS 291.A O no hydrogen 2.883 N/A ARG 269.A NH2 GLU 293.A O no hydrogen 3.366 N/A ILE 271.A N LEU 252.A O no hydrogen 2.766 N/A ILE 272.A N PHE 289.A O no hydrogen 2.903 N/A ALA 276.A N PRO 273.A O no hydrogen 3.484 N/A THR 277.A N GLN 287.A O no hydrogen 3.230 N/A LEU 278.A N ASN 237.A OD1 no hydrogen 2.820 N/A PHE 279.A N PRO 285.A O no hydrogen 2.924 N/A MET 284.A N.A SER 281.A O no hydrogen 2.957 N/A MET 284.A N.B SER 281.A O no hydrogen 2.928 N/A ALA 286.A N PHE 302.A O no hydrogen 2.993 N/A GLN 287.A N THR 277.A O no hydrogen 2.732 N/A LEU 288.A N VAL 300.A O no hydrogen 3.039 N/A PHE 290.A N TYR 298.A O no hydrogen 3.033 N/A LYS 291.A N GLY 270.A O no hydrogen 2.831 N/A LYS 291.A NZ SER 253.A O no hydrogen 2.735 N/A LYS 291.A NZ ASP 254.A OD1 no hydrogen 3.029 N/A THR 292.A N GLY 296.A O no hydrogen 2.991 N/A THR 292.A OG1 ASP 294.A OD1 no hydrogen 3.031 N/A GLU 293.A N LYS 267.A O no hydrogen 2.961 N/A GLY 295.A N THR 292.A O no hydrogen 2.945 N/A GLY 296.A N ASP 294.A OD1 no hydrogen 2.821 N/A TYR 298.A N PHE 290.A O no hydrogen 3.080 N/A TYR 298.A OH GLU 263.A OE1 no hydrogen 2.644 N/A VAL 300.A N LEU 288.A O no hydrogen 2.835 N/A ILE 301.A N MET 349.A O no hydrogen 2.876 N/A PHE 302.A N ALA 286.A O no hydrogen 2.860 N/A LYS 303.A N GLY 347.A O no hydrogen 2.911 N/A LYS 303.A NZ ASP 306.A OD2 no hydrogen 3.220 N/A HIS 304.A ND1 GLN 227.A OE1 no hydrogen 2.783 N/A GLY 305.A N LYS 345.A O no hydrogen 2.780 N/A ASP 306.A N LYS 345.A O no hydrogen 3.104 N/A ARG 309.A N ASP 307.A OD1 no hydrogen 3.137 N/A ARG 309.A NE ASP 307.A OD1 no hydrogen 2.997 N/A ARG 309.A NE ASP 307.A OD2 no hydrogen 3.432 N/A ARG 309.A NH1 ASP 170.A OD2 no hydrogen 2.699 N/A ARG 309.A NH2 ASP 307.A OD2 no hydrogen 2.965 N/A GLN 310.A NE2 PHE 429.A O no hydrogen 2.829 N/A GLN 310.A NE2 ASP 497.A OD2 no hydrogen 3.143 N/A GLN 312.A N LEU 308.A O no hydrogen 2.791 N/A LEU 313.A N ARG 309.A O no hydrogen 2.973 N/A ILE 314.A N GLN 310.A O no hydrogen 3.068 N/A LEU 315.A N ASP 311.A O no hydrogen 2.912 N/A GLN 316.A N GLN 312.A O no hydrogen 3.061 N/A GLN 316.A NE2 GLN 119.A OE1 no hydrogen 2.957 N/A ILE 317.A N LEU 313.A O no hydrogen 2.905 N/A ILE 318.A N ILE 314.A O no hydrogen 2.858 N/A SER 319.A N LEU 315.A O no hydrogen 2.943 N/A LEU 320.A N GLN 316.A O no hydrogen 3.111 N/A MET 321.A N ILE 317.A O no hydrogen 2.789 N/A ASP 322.A N ILE 318.A O no hydrogen 2.880 N/A LYS 323.A N SER 319.A O no hydrogen 2.966 N/A LEU 324.A N LEU 320.A O no hydrogen 2.917 N/A LEU 325.A N MET 321.A O no hydrogen 2.965 N/A ARG 326.A N ASP 322.A O no hydrogen 2.928 N/A ARG 326.A NE ASP 322.A OD2 no hydrogen 2.869 N/A LYS 327.A N LYS 323.A O no hydrogen 2.775 N/A GLU 328.A N LEU 324.A O no hydrogen 3.204 N/A GLU 328.A N LEU 325.A O no hydrogen 2.982 N/A ASN 329.A N ARG 326.A O no hydrogen 2.910 N/A LEU 330.A N LEU 325.A O no hydrogen 2.873 N/A LYS 333.A N ASP 331.A OD1 no hydrogen 3.075 N/A LYS 333.A NZ ASP 331.A OD2 no hydrogen 3.110 N/A THR 335.A N TYR 399.A OH no hydrogen 2.936 N/A LYS 338.A N GLN 350.A OE1 no hydrogen 2.961 N/A LEU 340.A N PHE 348.A O no hydrogen 2.898 N/A ALA 341.A N GLN 312.A OE1 no hydrogen 3.056 N/A THR 342.A N HIS 346.A O no hydrogen 3.068 N/A THR 342.A OG1 HIS 346.A ND1 no hydrogen 2.730 N/A SER 343.A N HIS 346.A O no hydrogen 3.219 N/A LYS 345.A N SER 343.A OG no hydrogen 3.388 N/A HIS 346.A ND1 THR 342.A OG1 no hydrogen 2.730 N/A GLY 347.A N LYS 303.A O no hydrogen 3.113 N/A PHE 348.A N LEU 340.A O no hydrogen 2.814 N/A MET 349.A N ILE 301.A O no hydrogen 2.896 N/A GLN 350.A N LYS 338.A O no hydrogen 2.780 N/A PHE 351.A N PRO 299.A O no hydrogen 3.171 N/A SER 354.A OG ILE 352.A O no hydrogen 2.825 N/A VAL 355.A N LEU 418.A O no hydrogen 2.815 N/A VAL 357.A N LEU 416.A O no hydrogen 2.783 N/A ALA 358.A N LEU 413.A O no hydrogen 2.827 N/A VAL 360.A N PRO 356.A O no hydrogen 3.061 N/A LEU 361.A N VAL 357.A O no hydrogen 2.940 N/A ASP 362.A N ALA 358.A O no hydrogen 3.089 N/A THR 363.A N GLU 359.A O no hydrogen 2.905 N/A THR 363.A OG1 GLU 359.A O no hydrogen 2.806 N/A GLU 364.A N VAL 360.A O no hydrogen 2.824 N/A GLY 365.A N VAL 360.A O no hydrogen 3.239 N/A GLY 365.A N LEU 361.A O no hydrogen 2.857 N/A GLN 368.A NE2 ASN 382.A OD1 no hydrogen 2.911 N/A GLN 368.A NE2 GLY 453.A O no hydrogen 3.279 N/A ASN 369.A N SER 366.A OG no hydrogen 3.089 N/A ASN 369.A ND2 GLU 364.A O no hydrogen 2.886 N/A PHE 370.A N SER 366.A O no hydrogen 3.050 N/A PHE 371.A N ILE 367.A O no hydrogen 2.986 N/A ARG 372.A N GLN 368.A O no hydrogen 2.881 N/A ARG 372.A NH1 GLN 368.A OE1 no hydrogen 3.246 N/A ARG 372.A NH1 ASN 382.A O no hydrogen 2.869 N/A ARG 372.A NH2 ASN 369.A OD1 no hydrogen 2.989 N/A LYS 373.A N ASN 369.A O no hydrogen 2.925 N/A LYS 373.A NZ GLU 364.A OE2 no hydrogen 2.931 N/A TYR 374.A N PHE 370.A O no hydrogen 3.051 N/A ALA 375.A N PHE 371.A O no hydrogen 2.530 N/A SER 377.A N GLY 383.A O no hydrogen 2.834 N/A GLY 380.A N SER 377.A O no hydrogen 3.058 N/A GLY 383.A N GLY 380.A O no hydrogen 2.982 N/A ILE 384.A N PRO 381.A O no hydrogen 2.895 N/A SER 385.A N ALA 375.A O no hydrogen 2.908 N/A MET 389.A N SER 385.A O no hydrogen 3.038 N/A ASP 390.A N ALA 386.A O no hydrogen 2.828 N/A THR 391.A N GLU 387.A O no hydrogen 2.945 N/A THR 391.A OG1 GLU 387.A O no hydrogen 2.947 N/A TYR 392.A N VAL 388.A O no hydrogen 2.922 N/A TYR 392.A OH MET 450.A O no hydrogen 2.732 N/A VAL 393.A N MET 389.A O no hydrogen 2.915 N/A LYS 394.A N ASP 390.A O no hydrogen 3.023 N/A LYS 394.A NZ ASP 390.A OD1 no hydrogen 3.451 N/A LYS 394.A NZ ASP 390.A OD2 no hydrogen 2.945 N/A SER 395.A N THR 391.A O no hydrogen 2.898 N/A SER 395.A OG THR 391.A O no hydrogen 2.768 N/A SER 395.A OG TYR 392.A O no hydrogen 3.317 N/A CYS 396.A N TYR 392.A O no hydrogen 2.819 N/A CYS 396.A SG TYR 392.A O no hydrogen 3.345 N/A ALA 397.A N VAL 393.A O no hydrogen 2.937 N/A GLY 398.A N LYS 394.A O no hydrogen 2.886 N/A TYR 399.A N SER 395.A O no hydrogen 2.985 N/A CYS 400.A N.A CYS 396.A O no hydrogen 2.852 N/A CYS 400.A N.B CYS 396.A O no hydrogen 2.877 N/A CYS 400.A SG.B CYS 396.A O no hydrogen 3.387 N/A VAL 401.A N ALA 397.A O no hydrogen 3.084 N/A ILE 402.A N GLY 398.A O no hydrogen 2.959 N/A THR 403.A N TYR 399.A O no hydrogen 2.827 N/A THR 403.A OG1 TYR 399.A O no hydrogen 2.702 N/A THR 403.A OG1 CYS 400.A O.A no hydrogen 3.461 N/A TYR 404.A N CYS 400.A O.A no hydrogen 3.152 N/A TYR 404.A N CYS 400.A O.B no hydrogen 3.255 N/A TYR 404.A OH LYS 512.A O no hydrogen 2.772 N/A TYR 404.A OH TYR 525.A OH no hydrogen 2.842 N/A ILE 405.A N VAL 401.A O no hydrogen 2.965 N/A LEU 406.A N ILE 402.A O no hydrogen 2.972 N/A GLY 407.A N TYR 404.A O no hydrogen 3.255 N/A VAL 408.A N THR 403.A O no hydrogen 3.105 N/A GLY 409.A N TYR 431.A O no hydrogen 2.863 N/A ASP 410.A N ASP 436.A OD1 no hydrogen 2.895 N/A ARG 411.A NE GLY 409.A O no hydrogen 2.828 N/A ARG 411.A NH1 GLY 409.A O no hydrogen 3.252 N/A ARG 411.A NH1 ILE 427.A O no hydrogen 3.069 N/A ARG 411.A NH2 HIS 426.A ND1 no hydrogen 2.968 N/A ARG 411.A NH2 ILE 427.A O no hydrogen 3.046 N/A ASP 414.A N HIS 412.A ND1 no hydrogen 3.258 N/A ASN 415.A N HIS 412.A O no hydrogen 2.913 N/A ASN 415.A ND2 ASP 410.A O no hydrogen 2.961 N/A LEU 417.A N PHE 425.A O no hydrogen 2.862 N/A LEU 418.A N VAL 355.A O no hydrogen 2.888 N/A THR 419.A N LYS 423.A O no hydrogen 2.844 N/A THR 419.A OG1 THR 421.A OG1 no hydrogen 2.747 N/A THR 421.A N THR 419.A OG1 no hydrogen 3.232 N/A THR 421.A OG1 THR 419.A OG1 no hydrogen 2.747 N/A GLY 422.A N THR 419.A O no hydrogen 3.042 N/A LYS 423.A N THR 419.A OG1 no hydrogen 3.274 N/A LEU 424.A N SER 395.A OG no hydrogen 2.998 N/A PHE 425.A N LEU 417.A O no hydrogen 2.921 N/A ILE 427.A N ASN 415.A O no hydrogen 3.061 N/A PHE 429.A N ASP 311.A OD1 no hydrogen 2.922 N/A ILE 432.A N ASP 497.A OD2 no hydrogen 2.880 N/A LEU 433.A N LEU 406.A O no hydrogen 2.893 N/A GLY 434.A N GLY 407.A O no hydrogen 3.007 N/A ARG 435.A N ILE 432.A O no hydrogen 3.199 N/A ARG 435.A NH1 GLY 430.A O no hydrogen 3.461 N/A ARG 435.A NH1 ASP 497.A OD2 no hydrogen 3.080 N/A LYS 438.A N ASP 436.A OD2 no hydrogen 2.940 N/A LYS 445.A NZ VAL 408.A O no hydrogen 3.265 N/A LYS 445.A NZ PRO 442.A O no hydrogen 3.090 N/A GLU 449.A N GLU 449.A OE1 no hydrogen 2.985 N/A MET 450.A N ASN 447.A OD1 no hydrogen 2.925 N/A VAL 451.A N ASN 447.A O no hydrogen 3.225 N/A GLU 452.A N LYS 448.A O no hydrogen 2.870 N/A GLY 453.A N GLU 449.A O no hydrogen 2.935 N/A MET 454.A N VAL 451.A O no hydrogen 3.171 N/A GLY 455.A N GLU 452.A O no hydrogen 2.947 N/A GLY 456.A N VAL 451.A O no hydrogen 3.224 N/A THR 457.A OG1 GLN 458.A OE1 no hydrogen 3.444 N/A SER 459.A N GLY 456.A O no hydrogen 3.287 N/A SER 459.A OG MET 454.A O no hydrogen 2.921 N/A SER 459.A OG GLY 456.A O no hydrogen 3.056 N/A TYR 462.A N SER 459.A OG no hydrogen 3.119 N/A GLU 464.A N GLU 460.A O no hydrogen 2.830 N/A PHE 465.A N GLN 461.A O no hydrogen 2.790 N/A ARG 466.A N TYR 462.A O no hydrogen 3.128 N/A ARG 466.A NH1 GLN 463.A OE1 no hydrogen 3.425 N/A ARG 466.A NH2 ASP 531.A OD1 no hydrogen 2.583 N/A LYS 467.A N GLN 463.A O no hydrogen 3.039 N/A GLN 468.A N GLU 464.A O no hydrogen 2.909 N/A CYS 469.A N PHE 465.A O no hydrogen 2.953 N/A CYS 469.A SG ALA 397.A O no hydrogen 3.924 N/A CYS 469.A SG PHE 465.A O no hydrogen 3.343 N/A TYR 470.A N ARG 466.A O no hydrogen 3.052 N/A THR 471.A N LYS 467.A O no hydrogen 3.022 N/A THR 471.A OG1 LYS 467.A O no hydrogen 2.983 N/A ALA 472.A N GLN 468.A O no hydrogen 2.973 N/A PHE 473.A N CYS 469.A O no hydrogen 3.002 N/A LEU 474.A N TYR 470.A O no hydrogen 3.078 N/A HIS 475.A N THR 471.A O no hydrogen 3.049 N/A LEU 476.A N ALA 472.A O no hydrogen 3.029 N/A ARG 477.A N PHE 473.A O no hydrogen 3.065 N/A ARG 477.A NE PHE 513.A O no hydrogen 2.931 N/A ARG 477.A NH2 PHE 513.A O no hydrogen 3.242 N/A ARG 477.A NH2 ARG 514.A O no hydrogen 2.607 N/A ARG 477.A NH2 LEU 517.A O no hydrogen 2.858 N/A ARG 478.A N LEU 474.A O no hydrogen 3.268 N/A ARG 478.A NH2 ASP 519.A OD2 no hydrogen 3.278 N/A TYR 479.A N LEU 476.A O no hydrogen 3.022 N/A TYR 479.A OH GLU 328.A OE2 no hydrogen 2.523 N/A SER 480.A N ARG 477.A O no hydrogen 3.021 N/A SER 480.A OG ARG 477.A O no hydrogen 3.152 N/A ILE 483.A N TYR 479.A O no hydrogen 3.031 N/A LEU 484.A N SER 480.A O no hydrogen 2.846 N/A ASN 485.A N ASN 481.A O no hydrogen 2.819 N/A ASN 485.A ND2 GLU 82.A O no hydrogen 3.044 N/A LEU 486.A N LEU 482.A O no hydrogen 2.907 N/A PHE 487.A N ILE 483.A O no hydrogen 3.045 N/A SER 488.A N LEU 484.A O no hydrogen 2.856 N/A SER 488.A OG LEU 484.A O no hydrogen 3.097 N/A LEU 489.A N ASN 485.A O no hydrogen 3.354 N/A LEU 489.A N LEU 486.A O no hydrogen 3.078 N/A MET 490.A N PHE 487.A O no hydrogen 2.996 N/A ALA 493.A N MET 490.A O no hydrogen 2.997 N/A ASN 494.A ND2 ASP 170.A OD1 no hydrogen 3.360 N/A ASN 494.A ND2 ASP 170.A OD2 no hydrogen 3.005 N/A ASP 497.A N GLN 310.A OE1 no hydrogen 2.987 N/A ILE 498.A N ILE 495.A O no hydrogen 3.010 N/A ALA 499.A N ILE 495.A O no hydrogen 2.914 N/A LEU 500.A N PRO 496.A O no hydrogen 3.159 N/A GLU 501.A N ILE 498.A O no hydrogen 3.171 N/A LYS 504.A N GLU 501.A O no hydrogen 3.176 N/A THR 505.A N PRO 502.A O no hydrogen 3.422 N/A THR 505.A OG1 ILE 498.A O no hydrogen 3.505 N/A THR 505.A OG1 GLU 501.A O no hydrogen 2.841 N/A THR 505.A OG1 PRO 502.A O no hydrogen 3.478 N/A LYS 507.A NZ ASP 511.A OD1 no hydrogen 3.567 N/A LYS 507.A NZ ASP 511.A OD2 no hydrogen 2.942 N/A LYS 508.A N LYS 504.A O no hydrogen 3.193 N/A LYS 508.A NZ GLU 501.A OE2 no hydrogen 2.668 N/A VAL 509.A N VAL 506.A O no hydrogen 3.032 N/A GLN 510.A N VAL 506.A O no hydrogen 2.853 N/A ASP 511.A N LYS 507.A O no hydrogen 2.855 N/A LYS 512.A N VAL 509.A O no hydrogen 3.052 N/A PHE 513.A N GLN 510.A O no hydrogen 2.915 N/A ARG 514.A N ASP 511.A O no hydrogen 3.036 N/A ARG 514.A NE ASP 516.A OD1 no hydrogen 2.964 N/A ARG 514.A NH2 ASP 516.A OD2 no hydrogen 2.871 N/A LEU 517.A N ARG 514.A O no hydrogen 2.944 N/A SER 518.A N GLU 521.A OE1 no hydrogen 3.229 N/A SER 518.A OG GLU 521.A OE1 no hydrogen 3.196 N/A GLU 521.A N SER 518.A OG no hydrogen 3.301 N/A ALA 522.A N SER 518.A O no hydrogen 2.721 N/A VAL 523.A N ASP 519.A O no hydrogen 3.026 N/A HIS 524.A N.A GLU 520.A O no hydrogen 3.342 N/A HIS 524.A N.B GLU 520.A O no hydrogen 3.369 N/A HIS 524.A N.B GLU 521.A O no hydrogen 3.144 N/A HIS 524.A ND1.B GLU 520.A O no hydrogen 3.171 N/A TYR 525.A N GLU 521.A O no hydrogen 2.828 N/A TYR 525.A OH TYR 404.A OH no hydrogen 2.842 N/A MET 526.A N ALA 522.A O no hydrogen 2.939 N/A GLN 527.A N VAL 523.A O no hydrogen 2.913 N/A SER 528.A N HIS 524.A O.A no hydrogen 2.935 N/A SER 528.A N HIS 524.A O.B no hydrogen 3.179 N/A SER 528.A OG HIS 524.A O.A no hydrogen 2.890 N/A SER 528.A OG HIS 524.A O.B no hydrogen 2.699 N/A LEU 529.A N TYR 525.A O no hydrogen 2.919 N/A ILE 530.A N MET 526.A O no hydrogen 3.052 N/A ASP 531.A N GLN 527.A O no hydrogen 2.961 N/A GLU 532.A N SER 528.A O no hydrogen 2.994 N/A SER 533.A N LEU 529.A O no hydrogen 2.947 N/A SER 533.A OG LEU 529.A O no hydrogen 2.870 N/A VAL 534.A N ILE 530.A O no hydrogen 2.951 N/A HIS 535.A N ASP 531.A O no hydrogen 2.855 N/A ALA 536.A N GLU 532.A O no hydrogen 3.062 N/A LEU 537.A N SER 533.A O no hydrogen 3.115 N/A LEU 537.A N VAL 534.A O no hydrogen 2.932 N/A PHE 538.A N VAL 534.A O no hydrogen 3.323 N/A PHE 538.A N HIS 535.A O no hydrogen 3.097 N/A