Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ji6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N ASP 1.A O no hydrogen 3.010 N/A THR 5.A OG1 ASP 1.A O no hydrogen 3.069 N/A GLY 6.A N ALA 2.A O no hydrogen 2.896 N/A ILE 7.A N VAL 3.A O no hydrogen 2.824 N/A SER 8.A N GLY 4.A O no hydrogen 3.009 N/A SER 8.A OG GLU 399.A O no hydrogen 3.301 N/A VAL 9.A N THR 5.A O no hydrogen 2.760 N/A VAL 10.A N GLY 6.A O no hydrogen 2.960 N/A GLY 11.A N ILE 7.A O no hydrogen 3.229 N/A GLN 12.A N SER 8.A O no hydrogen 3.094 N/A ILE 13.A N VAL 9.A O no hydrogen 2.865 N/A LEU 14.A N VAL 10.A O no hydrogen 3.129 N/A VAL 16.A N GLN 12.A O no hydrogen 2.967 N/A VAL 17.A N ILE 13.A O no hydrogen 2.820 N/A GLY 18.A N GLY 15.A O no hydrogen 3.114 N/A VAL 19.A N VAL 16.A O no hydrogen 2.870 N/A GLY 23.A N VAL 19.A O no hydrogen 3.173 N/A GLY 23.A N PRO 20.A O no hydrogen 3.089 N/A ALA 24.A N PHE 21.A O no hydrogen 2.999 N/A THR 26.A N GLY 23.A O no hydrogen 2.972 N/A THR 26.A OG1 GLY 23.A O no hydrogen 2.912 N/A TYR 29.A OH LEU 144.A O no hydrogen 2.897 N/A TYR 29.A OH ASP 148.A OD1 no hydrogen 3.368 N/A TYR 29.A OH ASP 148.A OD2 no hydrogen 2.864 N/A GLN 30.A N SER 27.A O no hydrogen 3.003 N/A PHE 32.A N PHE 28.A O no hydrogen 3.090 N/A LEU 33.A N TYR 29.A O no hydrogen 2.869 N/A ASN 34.A N GLN 30.A O no hydrogen 3.263 N/A THR 35.A N SER 31.A O no hydrogen 2.995 N/A ILE 36.A N PHE 32.A O no hydrogen 2.884 N/A TRP 37.A NE1 THR 141.A OG1 no hydrogen 3.164 N/A ALA 41.A N PRO 38.A O no hydrogen 3.114 N/A ASP 42.A N ASP 40.A OD1 no hydrogen 3.014 N/A LYS 45.A NZ ASP 40.A O no hydrogen 2.879 N/A ALA 46.A N ASP 42.A O no hydrogen 3.293 N/A PHE 47.A N PRO 43.A O no hydrogen 3.061 N/A MET 48.A N TRP 44.A O no hydrogen 2.720 N/A ALA 49.A N ALA 46.A O no hydrogen 3.370 N/A GLN 50.A N PHE 47.A O no hydrogen 3.277 N/A VAL 53.A N ALA 49.A O no hydrogen 3.405 N/A LEU 54.A N VAL 51.A O no hydrogen 2.795 N/A ILE 55.A N VAL 51.A O no hydrogen 2.904 N/A LYS 57.A N GLU 52.A O no hydrogen 3.136 N/A ILE 59.A N GLU 52.A OE2 no hydrogen 3.137 N/A LYS 64.A N GLU 60.A O no hydrogen 2.965 N/A LYS 64.A NZ GLU 52.A OE1 no hydrogen 2.986 N/A LYS 64.A NZ GLU 52.A OE2 no hydrogen 3.049 N/A SER 65.A N GLU 61.A O no hydrogen 2.877 N/A SER 65.A N TYR 62.A O no hydrogen 3.089 N/A SER 65.A OG GLU 61.A O no hydrogen 3.071 N/A SER 65.A OG TYR 62.A O no hydrogen 3.162 N/A LYS 66.A N TYR 62.A O no hydrogen 3.075 N/A LYS 66.A NZ GLU 70.A OE1 no hydrogen 3.458 N/A ALA 67.A N ALA 63.A O no hydrogen 3.210 N/A LEU 68.A N LYS 64.A O no hydrogen 3.284 N/A ALA 69.A N SER 65.A O no hydrogen 2.976 N/A GLU 70.A N LYS 66.A O no hydrogen 2.955 N/A LEU 71.A N ALA 67.A O no hydrogen 2.964 N/A GLN 72.A N LEU 68.A O no hydrogen 2.965 N/A GLN 72.A N ALA 69.A O no hydrogen 2.911 N/A GLY 73.A N ALA 69.A O no hydrogen 3.077 N/A LEU 74.A N GLU 70.A O no hydrogen 2.958 N/A GLN 75.A N LEU 71.A O no hydrogen 3.054 N/A ASN 76.A N GLN 72.A O no hydrogen 3.259 N/A ASN 77.A N GLY 73.A O no hydrogen 3.077 N/A ASN 77.A ND2 GLN 110.A OE1 no hydrogen 3.624 N/A PHE 78.A N LEU 74.A O no hydrogen 2.941 N/A GLU 79.A N GLN 75.A O no hydrogen 2.828 N/A ASP 80.A N ASN 76.A O no hydrogen 2.786 N/A TYR 81.A N ASN 77.A O no hydrogen 2.848 N/A TYR 81.A OH ASP 148.A OD2 no hydrogen 2.566 N/A VAL 82.A N PHE 78.A O no hydrogen 2.957 N/A ASN 83.A N GLU 79.A O no hydrogen 3.136 N/A ALA 84.A N ASP 80.A O no hydrogen 3.098 N/A LEU 85.A N TYR 81.A O no hydrogen 2.793 N/A ASN 86.A N VAL 82.A O no hydrogen 2.924 N/A ASN 86.A ND2 GLN 30.A OE1 no hydrogen 3.119 N/A SER 87.A N ASN 83.A O no hydrogen 3.366 N/A SER 87.A OG ASN 83.A O no hydrogen 3.478 N/A TRP 88.A N ALA 84.A O no hydrogen 3.134 N/A TRP 88.A NE1 GLU 155.A OE1 no hydrogen 3.063 N/A LYS 89.A N LEU 85.A O no hydrogen 2.979 N/A LYS 90.A N ASN 86.A O no hydrogen 3.084 N/A THR 91.A N SER 87.A O no hydrogen 2.972 N/A THR 91.A OG1 SER 87.A O no hydrogen 2.939 N/A LEU 95.A N PRO 92.A O no hydrogen 2.863 N/A ARG 96.A N LEU 93.A O no hydrogen 2.838 N/A ARG 96.A NE THR 91.A O no hydrogen 2.954 N/A ARG 96.A NH1 THR 91.A O no hydrogen 3.334 N/A SER 97.A OG SER 100.A OG no hydrogen 3.346 N/A SER 100.A N SER 97.A OG no hydrogen 3.195 N/A SER 100.A OG SER 97.A OG no hydrogen 3.346 N/A GLN 101.A N SER 97.A O no hydrogen 3.084 N/A GLN 101.A NE2 GLU 155.A O no hydrogen 2.832 N/A ASP 102.A N LYS 98.A O no hydrogen 2.865 N/A ARG 103.A N ARG 99.A O no hydrogen 2.986 N/A ILE 104.A N SER 100.A O no hydrogen 2.824 N/A ARG 105.A N GLN 101.A O no hydrogen 3.030 N/A ARG 105.A NE TRP 156.A O no hydrogen 2.648 N/A GLU 106.A N ASP 102.A O no hydrogen 3.071 N/A LEU 107.A N ARG 103.A O no hydrogen 3.135 N/A PHE 108.A N ILE 104.A O no hydrogen 2.923 N/A SER 109.A N ARG 105.A O no hydrogen 2.808 N/A SER 109.A OG ARG 105.A O no hydrogen 3.023 N/A SER 109.A OG TYR 158.A OH no hydrogen 2.811 N/A GLN 110.A N GLU 106.A O no hydrogen 3.277 N/A GLN 110.A N LEU 107.A O no hydrogen 3.164 N/A ALA 111.A N LEU 107.A O no hydrogen 2.978 N/A GLU 112.A N PHE 108.A O no hydrogen 2.969 N/A SER 113.A N SER 109.A O no hydrogen 3.065 N/A HIS 114.A N GLN 110.A O no hydrogen 2.853 N/A HIS 114.A ND1 ASN 77.A OD1 no hydrogen 2.720 N/A PHE 115.A N ALA 111.A O no hydrogen 2.830 N/A ARG 116.A N GLU 112.A O no hydrogen 2.874 N/A ASN 117.A N SER 113.A O no hydrogen 2.970 N/A SER 118.A N HIS 114.A O no hydrogen 2.918 N/A SER 118.A N PHE 115.A O no hydrogen 3.083 N/A SER 118.A OG GLU 70.A OE2 no hydrogen 3.322 N/A SER 118.A OG HIS 114.A O no hydrogen 2.736 N/A MET 119.A N PHE 115.A O no hydrogen 3.371 N/A SER 121.A N SER 118.A O no hydrogen 2.707 N/A SER 121.A OG SER 118.A O no hydrogen 3.325 N/A PHE 122.A N MET 119.A O no hydrogen 3.081 N/A ALA 123.A N PRO 120.A O no hydrogen 2.834 N/A PHE 127.A N VAL 124.A O no hydrogen 3.112 N/A PHE 131.A N PHE 127.A O no hydrogen 3.251 N/A LEU 132.A N VAL 129.A O no hydrogen 3.095 N/A TYR 135.A N PHE 131.A O no hydrogen 3.076 N/A ALA 136.A N LEU 132.A O no hydrogen 2.926 N/A GLN 137.A N PRO 133.A O no hydrogen 2.921 N/A GLN 137.A NE2 THR 213.A O no hydrogen 3.634 N/A ALA 138.A N THR 134.A O no hydrogen 2.907 N/A ALA 139.A N TYR 135.A O no hydrogen 2.821 N/A ASN 140.A N ALA 136.A O no hydrogen 2.882 N/A THR 141.A N ALA 138.A O no hydrogen 2.934 N/A THR 141.A OG1 GLN 137.A O no hydrogen 3.261 N/A HIS 142.A N ALA 138.A O no hydrogen 3.038 N/A HIS 142.A ND1 TYR 177.A OH no hydrogen 2.703 N/A HIS 142.A NE2 GLU 112.A OE2 no hydrogen 2.935 N/A LEU 143.A N ALA 139.A O no hydrogen 3.136 N/A LEU 144.A N ASN 140.A O no hydrogen 3.117 N/A LEU 145.A N THR 141.A O no hydrogen 2.978 N/A LEU 146.A N HIS 142.A O no hydrogen 2.943 N/A LYS 147.A N LEU 143.A O no hydrogen 3.180 N/A LYS 147.A NZ LEU 144.A O no hydrogen 2.773 N/A LYS 147.A NZ ASP 148.A OD1 no hydrogen 2.866 N/A ASP 148.A N LEU 145.A O no hydrogen 2.912 N/A ALA 149.A N LEU 146.A O no hydrogen 2.871 N/A GLN 150.A N LYS 147.A O no hydrogen 2.746 N/A GLN 150.A NE2 VAL 163.A O no hydrogen 3.011 N/A VAL 151.A N LYS 147.A O no hydrogen 3.398 N/A VAL 151.A N ASP 148.A O no hydrogen 3.206 N/A PHE 152.A N ASP 148.A O no hydrogen 2.838 N/A GLY 153.A N ALA 149.A O no hydrogen 2.905 N/A TRP 156.A N PHE 152.A O no hydrogen 3.019 N/A TRP 156.A N GLY 153.A O no hydrogen 3.193 N/A GLY 157.A N GLU 154.A O no hydrogen 3.437 N/A TYR 158.A N GLY 153.A O no hydrogen 3.067 N/A TYR 158.A OH SER 109.A OG no hydrogen 2.811 N/A SER 159.A N ASP 162.A OD2 no hydrogen 3.370 N/A SER 159.A OG ASP 162.A OD2 no hydrogen 3.042 N/A VAL 163.A N SER 159.A O no hydrogen 2.916 N/A ALA 164.A N SER 160.A O no hydrogen 2.796 N/A GLU 165.A N GLU 161.A O no hydrogen 2.948 N/A PHE 166.A N ASP 162.A O no hydrogen 3.338 N/A TYR 167.A N VAL 163.A O no hydrogen 3.192 N/A TYR 167.A OH ASP 225.A OD2 no hydrogen 2.754 N/A HIS 168.A N ALA 164.A O no hydrogen 2.933 N/A ARG 169.A N GLU 165.A O no hydrogen 2.948 N/A GLN 170.A N PHE 166.A O no hydrogen 2.721 N/A GLN 170.A NE2 TYR 224.A O no hydrogen 3.215 N/A LEU 171.A N TYR 167.A O no hydrogen 2.904 N/A LYS 172.A N HIS 168.A O no hydrogen 3.050 N/A LEU 173.A N ARG 169.A O no hydrogen 2.885 N/A THR 174.A N GLN 170.A O no hydrogen 2.841 N/A THR 174.A OG1 GLN 170.A O no hydrogen 2.861 N/A GLN 175.A N LEU 171.A O no hydrogen 3.400 N/A GLN 176.A N LYS 172.A O no hydrogen 3.139 N/A TYR 177.A N LEU 173.A O no hydrogen 2.705 N/A TYR 177.A OH HIS 142.A ND1 no hydrogen 2.703 N/A THR 178.A N THR 174.A O no hydrogen 3.364 N/A THR 178.A OG1 THR 174.A O no hydrogen 2.684 N/A ASP 179.A N GLN 175.A O no hydrogen 2.982 N/A HIS 180.A N GLN 176.A O no hydrogen 2.921 N/A CYS 181.A N TYR 177.A O no hydrogen 3.146 N/A CYS 181.A SG TYR 177.A O no hydrogen 3.241 N/A VAL 182.A N THR 178.A O no hydrogen 3.126 N/A ASN 183.A N ASP 179.A O no hydrogen 2.915 N/A TRP 184.A N HIS 180.A O no hydrogen 3.079 N/A TYR 185.A N CYS 181.A O no hydrogen 3.067 N/A TYR 185.A N VAL 182.A O no hydrogen 3.225 N/A ASN 186.A N VAL 182.A O no hydrogen 3.031 N/A VAL 187.A N ASN 183.A O no hydrogen 3.156 N/A GLY 188.A N TRP 184.A O no hydrogen 3.003 N/A LEU 189.A N TYR 185.A O no hydrogen 2.748 N/A ASN 190.A N ASN 186.A O no hydrogen 2.885 N/A GLY 191.A N GLY 188.A O no hydrogen 2.967 N/A LEU 192.A N LEU 189.A O no hydrogen 2.910 N/A ARG 193.A N ASN 190.A O no hydrogen 3.412 N/A TRP 200.A N THR 196.A O no hydrogen 2.983 N/A TRP 200.A NE1 GLU 263.A OE1 no hydrogen 3.000 N/A VAL 201.A N TYR 197.A O no hydrogen 2.976 N/A LYS 202.A N ASP 198.A O no hydrogen 3.252 N/A LYS 202.A NZ ASP 198.A OD2 no hydrogen 3.144 N/A PHE 203.A N ALA 199.A O no hydrogen 3.033 N/A ASN 204.A N TRP 200.A O no hydrogen 2.758 N/A ASN 204.A ND2 PHE 242.A O no hydrogen 3.058 N/A ARG 205.A N LYS 202.A O no hydrogen 3.136 N/A PHE 206.A N LYS 202.A O no hydrogen 3.211 N/A ARG 207.A N PHE 203.A O no hydrogen 3.185 N/A ARG 207.A NE ASN 204.A OD1 no hydrogen 3.336 N/A ARG 207.A NH1 ASN 204.A OD1 no hydrogen 3.180 N/A ARG 207.A NH1 GLU 263.A OE1 no hydrogen 2.927 N/A ARG 207.A NH2 GLU 263.A OE1 no hydrogen 3.440 N/A ARG 207.A NH2 GLU 263.A OE2 no hydrogen 3.392 N/A ARG 208.A N ASN 204.A O no hydrogen 3.143 N/A ARG 208.A NH1 PHE 242.A O no hydrogen 2.735 N/A ARG 208.A NH1 ASP 244.A OD1 no hydrogen 2.835 N/A ARG 208.A NH2 ASP 244.A OD1 no hydrogen 2.978 N/A ARG 208.A NH2 ASP 244.A OD2 no hydrogen 3.174 N/A GLU 209.A N ARG 205.A O no hydrogen 2.904 N/A MET 210.A N PHE 206.A O no hydrogen 2.817 N/A THR 211.A N ARG 207.A O no hydrogen 3.196 N/A THR 211.A OG1 ARG 207.A O no hydrogen 2.661 N/A LEU 212.A N ARG 208.A O no hydrogen 2.936 N/A THR 213.A N GLU 209.A O no hydrogen 3.020 N/A THR 213.A OG1 GLN 50.A OE1 no hydrogen 3.416 N/A THR 213.A OG1 GLU 209.A O no hydrogen 3.090 N/A VAL 214.A N MET 210.A O no hydrogen 2.781 N/A LEU 215.A N MET 210.A O no hydrogen 3.227 N/A ASP 216.A N THR 211.A O no hydrogen 2.798 N/A LEU 217.A N VAL 214.A O no hydrogen 2.765 N/A ILE 218.A N VAL 214.A O no hydrogen 2.925 N/A LEU 220.A N LEU 217.A O no hydrogen 2.947 N/A PHE 223.A N LEU 220.A O no hydrogen 2.946 N/A TYR 224.A N PHE 221.A O no hydrogen 3.070 N/A TYR 224.A OH ASN 140.A OD1 no hydrogen 2.521 N/A ASP 225.A N PRO 222.A O no hydrogen 3.355 N/A ARG 227.A N ASP 225.A OD2 no hydrogen 3.413 N/A ARG 227.A NE GLN 150.A OE1 no hydrogen 3.229 N/A ARG 227.A NH2 GLN 150.A OE1 no hydrogen 2.912 N/A LEU 228.A N ASP 225.A O no hydrogen 3.083 N/A LEU 228.A N ASP 225.A OD2 no hydrogen 3.316 N/A TYR 229.A N ASP 225.A O no hydrogen 2.981 N/A TYR 229.A OH GLU 583.A OE2 no hydrogen 2.883 N/A VAL 233.A N VAL 17.A O no hydrogen 2.758 N/A LYS 234.A N ILE 449.A O no hydrogen 2.759 N/A LYS 234.A NZ ASP 439.A OD2 no hydrogen 3.332 N/A LYS 234.A NZ THR 443.A O no hydrogen 2.883 N/A GLU 236.A N THR 235.A OG1 no hydrogen 2.593 N/A LEU 237.A N SER 437.A OG no hydrogen 2.989 N/A ARG 239.A N GLY 474.A O no hydrogen 3.036 N/A ARG 239.A NE ASP 216.A OD1 no hydrogen 2.897 N/A ARG 239.A NE ASP 216.A OD2 no hydrogen 3.251 N/A ARG 239.A NH1 ASP 216.A OD2 no hydrogen 2.721 N/A ARG 239.A NH2 ARG 239.A O no hydrogen 2.709 N/A ILE 241.A N TRP 433.A O no hydrogen 2.945 N/A ILE 246.A N PRO 429.A O no hydrogen 3.119 N/A ASN 250.A N SER 248.A O no hydrogen 2.761 N/A THR 251.A N ASN 250.A OD1 no hydrogen 2.713 N/A THR 251.A OG1 ASN 250.A OD1 no hydrogen 3.458 N/A GLN 253.A N ASN 250.A O no hydrogen 3.520 N/A GLN 253.A NE2 ASP 198.A OD1 no hydrogen 2.896 N/A TYR 255.A N LEU 252.A O no hydrogen 2.645 N/A GLY 256.A N GLN 253.A O no hydrogen 3.273 N/A THR 258.A OG1 SER 261.A OG no hydrogen 2.647 N/A PHE 259.A N SER 195.A O no hydrogen 2.688 N/A SER 261.A OG THR 258.A O no hydrogen 2.820 N/A SER 261.A OG THR 258.A OG1 no hydrogen 2.647 N/A ILE 262.A N THR 258.A O no hydrogen 3.120 N/A ILE 262.A N PHE 259.A O no hydrogen 2.856 N/A GLU 263.A N PHE 259.A O no hydrogen 2.819 N/A ASN 264.A N LEU 260.A O no hydrogen 2.635 N/A SER 265.A N ILE 262.A O no hydrogen 3.307 N/A SER 265.A OG GLU 417.A OE1 no hydrogen 3.532 N/A ILE 266.A N ILE 262.A O no hydrogen 3.081 N/A ARG 267.A NH1 ASP 273.A OD1 no hydrogen 2.805 N/A ARG 267.A NH2 ASP 273.A OD1 no hydrogen 3.427 N/A ARG 267.A NH2 ASN 414.A OD1 no hydrogen 3.381 N/A HIS 270.A ND1 LYS 268.A O no hydrogen 2.891 N/A PHE 272.A N VAL 455.A O no hydrogen 2.860 N/A TYR 274.A N ARG 305.A O no hydrogen 2.867 N/A GLN 276.A N GLU 303.A O no hydrogen 2.840 N/A GLN 276.A NE2 ASP 333.A OD1 no hydrogen 3.301 N/A GLY 277.A N GLU 303.A O no hydrogen 3.234 N/A ILE 278.A N LEU 330.A O no hydrogen 2.717 N/A GLU 279.A N TYR 301.A O no hydrogen 3.040 N/A PHE 280.A N GLN 328.A O no hydrogen 2.647 N/A HIS 281.A N GLY 299.A O no hydrogen 2.905 N/A HIS 281.A NE2 GLU 279.A OE2 no hydrogen 2.844 N/A THR 282.A OG1 TYR 378.A OH no hydrogen 3.085 N/A ARG 283.A N TYR 296.A O no hydrogen 2.978 N/A ARG 283.A NE LYS 322.A O no hydrogen 3.088 N/A GLN 285.A N PHE 294.A O no hydrogen 2.548 N/A GLY 287.A N SER 293.A OG no hydrogen 2.733 N/A GLY 290.A N GLY 287.A O no hydrogen 2.951 N/A LYS 291.A N PHE 289.A O no hydrogen 2.756 N/A SER 293.A OG GLY 290.A O no hydrogen 3.187 N/A PHE 294.A N GLN 285.A O no hydrogen 2.782 N/A ASN 295.A N ARG 382.A O no hydrogen 2.829 N/A TYR 296.A N ARG 283.A O no hydrogen 2.830 N/A TRP 297.A N VAL 358.A O no hydrogen 2.926 N/A SER 298.A N HIS 281.A O no hydrogen 2.827 N/A SER 298.A OG HIS 281.A O no hydrogen 3.292 N/A SER 298.A OG ASP 321.A O no hydrogen 2.799 N/A GLY 299.A N HIS 281.A O no hydrogen 3.428 N/A ASN 300.A N TYR 319.A O no hydrogen 2.640 N/A TYR 301.A N GLU 279.A O no hydrogen 3.313 N/A VAL 302.A N SER 316.A OG no hydrogen 2.857 N/A GLU 303.A N GLY 277.A O no hydrogen 2.951 N/A THR 304.A N ILE 314.A O no hydrogen 2.846 N/A ARG 305.A N TYR 274.A O no hydrogen 2.923 N/A ARG 305.A NE PRO 306.A O no hydrogen 2.748 N/A SER 307.A OG LYS 456.A O no hydrogen 3.244 N/A SER 310.A N SER 307.A O no hydrogen 3.338 N/A ILE 314.A N THR 304.A O no hydrogen 2.662 N/A SER 316.A N VAL 302.A O no hydrogen 3.076 N/A SER 316.A OG VAL 302.A O no hydrogen 3.325 N/A SER 316.A OG PRO 317.A O no hydrogen 3.085 N/A TYR 319.A N ASN 300.A O no hydrogen 2.795 N/A TYR 319.A OH TYR 415.A OH no hydrogen 2.597 N/A ASP 321.A N SER 298.A O no hydrogen 2.949 N/A LYS 322.A NZ TYR 301.A OH no hydrogen 2.778 N/A SER 323.A N HIS 281.A ND1 no hydrogen 3.310 N/A SER 323.A OG GLU 325.A O no hydrogen 3.126 N/A THR 324.A N THR 282.A O no hydrogen 2.740 N/A GLU 325.A N THR 282.A O no hydrogen 3.151 N/A GLN 328.A N PHE 280.A O no hydrogen 3.035 N/A GLN 328.A NE2 ASP 379.A O no hydrogen 2.883 N/A LEU 330.A N ILE 278.A O no hydrogen 2.858 N/A SER 331.A OG GLN 276.A O no hydrogen 3.027 N/A PHE 332.A N GLN 276.A O no hydrogen 2.503 N/A GLN 335.A N PHE 332.A O no hydrogen 2.872 N/A LYS 336.A N TYR 366.A O no hydrogen 2.794 N/A TYR 338.A N SER 364.A O no hydrogen 2.990 N/A ARG 339.A NE ASP 391.A OD1 no hydrogen 2.985 N/A ARG 339.A NH1 ASP 391.A OD1 no hydrogen 3.434 N/A ARG 339.A NH1 ASP 391.A OD2 no hydrogen 2.722 N/A THR 340.A N SER 392.A OG no hydrogen 3.274 N/A ILE 341.A N ASP 362.A O no hydrogen 3.220 N/A ALA 342.A N GLN 390.A O no hydrogen 2.867 N/A ASN 343.A N LYS 360.A O no hydrogen 2.896 N/A ASN 343.A ND2 VAL 387.A O no hydrogen 3.591 N/A THR 344.A N VAL 387.A O no hydrogen 3.144 N/A THR 344.A OG1 GLY 357.A O no hydrogen 3.102 N/A VAL 346.A N ASP 345.A OD2 no hydrogen 2.553 N/A ALA 347.A N TYR 355.A O no hydrogen 3.175 N/A TRP 349.A N LYS 353.A O no hydrogen 2.675 N/A GLY 352.A N TRP 349.A O no hydrogen 2.777 N/A LYS 353.A NZ ASP 423.A OD1 no hydrogen 3.395 N/A LYS 353.A NZ ASP 423.A OD2 no hydrogen 3.500 N/A TYR 355.A N ALA 347.A O no hydrogen 3.007 N/A THR 359.A N ASN 343.A O no hydrogen 3.234 N/A THR 359.A OG1 ASN 343.A O no hydrogen 3.478 N/A VAL 361.A N TYR 378.A O no hydrogen 2.980 N/A ASP 362.A N ILE 341.A O no hydrogen 3.000 N/A PHE 363.A N GLN 376.A O no hydrogen 2.733 N/A SER 364.A N ARG 339.A O no hydrogen 2.829 N/A GLN 365.A N SER 374.A O no hydrogen 2.886 N/A GLN 365.A NE2 GLN 376.A OE1 no hydrogen 3.290 N/A TYR 366.A N LYS 336.A O no hydrogen 2.714 N/A ASP 367.A N GLU 372.A O no hydrogen 2.807 N/A ASN 371.A N ASP 368.A O no hydrogen 3.271 N/A GLU 372.A N ASP 367.A O no hydrogen 3.267 N/A SER 374.A N GLN 365.A O no hydrogen 3.019 N/A GLN 376.A N PHE 363.A O no hydrogen 3.015 N/A THR 377.A OG1 ASP 362.A OD1 no hydrogen 3.315 N/A TYR 378.A N VAL 361.A O no hydrogen 2.877 N/A TYR 378.A OH THR 282.A OG1 no hydrogen 3.085 N/A SER 380.A N THR 359.A O no hydrogen 2.781 N/A SER 380.A OG ASN 295.A O no hydrogen 3.015 N/A SER 380.A OG THR 359.A O no hydrogen 3.231 N/A SER 380.A OG ARG 382.A O no hydrogen 3.479 N/A LYS 381.A N ASP 379.A OD1 no hydrogen 3.156 N/A ASN 384.A N ASP 345.A OD1 no hydrogen 2.972 N/A ASN 384.A ND2 ASP 345.A OD2 no hydrogen 3.224 N/A VAL 387.A N THR 344.A O no hydrogen 3.144 N/A GLN 390.A N ILE 246.A O no hydrogen 3.422 N/A GLN 390.A NE2 ASP 244.A O no hydrogen 2.742 N/A SER 392.A N THR 340.A O no hydrogen 2.892 N/A ILE 393.A N ASP 391.A OD1 no hydrogen 3.383 N/A ASP 394.A N ASP 391.A O no hydrogen 3.188 N/A GLN 395.A N SER 392.A O no hydrogen 2.843 N/A LEU 396.A N SER 392.A O no hydrogen 2.886 N/A GLU 399.A N ALA 408.A O no hydrogen 2.693 N/A GLU 406.A N GLU 406.A OE2 no hydrogen 2.940 N/A LYS 407.A N PRO 404.A O no hydrogen 2.657 N/A LYS 407.A NZ GLU 403.A OE1 no hydrogen 3.105 N/A ALA 408.A N LEU 405.A O no hydrogen 2.905 N/A TYR 409.A N LEU 405.A O no hydrogen 2.762 N/A SER 410.A OG PRO 397.A O no hydrogen 2.832 N/A GLN 412.A N THR 434.A O no hydrogen 2.855 N/A LEU 413.A N VAL 337.A O no hydrogen 2.895 N/A ASN 414.A N THR 432.A O no hydrogen 2.711 N/A ASN 414.A ND2 ASP 273.A O no hydrogen 2.785 N/A TYR 415.A N THR 432.A O no hydrogen 3.217 N/A TYR 415.A OH TYR 319.A OH no hydrogen 2.597 N/A GLU 417.A N PHE 430.A O no hydrogen 2.930 N/A PHE 419.A N ILE 428.A O no hydrogen 3.013 N/A MET 421.A N GLY 426.A O no hydrogen 2.826 N/A GLN 422.A N TYR 255.A O no hydrogen 2.898 N/A ARG 425.A N GLN 422.A O no hydrogen 3.289 N/A ARG 425.A NE ASP 423.A O no hydrogen 3.085 N/A ARG 425.A NH1 VAL 354.A O no hydrogen 3.446 N/A THR 427.A OG1 TRP 297.A O no hydrogen 2.895 N/A ILE 428.A N PHE 419.A O no hydrogen 2.931 N/A PHE 430.A N GLU 417.A O no hydrogen 2.857 N/A THR 432.A N TYR 415.A O no hydrogen 2.977 N/A TRP 433.A N ILE 241.A O no hydrogen 2.802 N/A TRP 433.A NE1 THR 243.A OG1 no hydrogen 3.056 N/A THR 434.A N GLN 412.A O no hydrogen 2.959 N/A HIS 435.A ND1 SER 437.A OG no hydrogen 2.759 N/A ARG 436.A N SER 410.A O no hydrogen 3.041 N/A ARG 436.A NE GLU 399.A OE2 no hydrogen 2.915 N/A ARG 436.A NH1 GLU 399.A OE2 no hydrogen 3.546 N/A SER 437.A N HIS 435.A ND1 no hydrogen 3.026 N/A SER 437.A OG HIS 435.A ND1 no hydrogen 2.759 N/A VAL 438.A N HIS 435.A O no hydrogen 3.163 N/A ASP 439.A N GLU 236.A OE2 no hydrogen 2.957 N/A PHE 441.A N ASP 439.A OD1 no hydrogen 3.118 N/A ASN 442.A N ASP 439.A O no hydrogen 3.391 N/A ASN 442.A ND2 LYS 456.A O no hydrogen 3.404 N/A ASN 442.A ND2 LYS 491.A O no hydrogen 3.200 N/A THR 443.A N ASP 439.A OD2 no hydrogen 2.920 N/A THR 443.A OG1 ASP 439.A OD2 no hydrogen 3.148 N/A ILE 444.A N THR 493.A O no hydrogen 2.777 N/A ASP 445.A N THR 450.A OG1 no hydrogen 3.201 N/A GLU 447.A N ASP 445.A OD2 no hydrogen 3.317 N/A LYS 448.A N ASP 445.A OD2 no hydrogen 3.154 N/A LYS 448.A NZ ASP 445.A OD1 no hydrogen 3.535 N/A ILE 449.A N GLY 232.A O no hydrogen 3.207 N/A THR 450.A N PHE 584.A O no hydrogen 2.909 N/A GLN 451.A N LYS 234.A O no hydrogen 2.847 N/A GLN 451.A NE2 THR 235.A OG1 no hydrogen 2.817 N/A LEU 452.A N ILE 582.A O no hydrogen 2.706 N/A VAL 454.A N ASP 580.A O no hydrogen 2.946 N/A LYS 456.A N PRO 453.A O no hydrogen 2.971 N/A LYS 456.A NZ SER 307.A OG no hydrogen 3.397 N/A LYS 456.A NZ ASP 439.A O no hydrogen 2.830 N/A LYS 456.A NZ ASN 442.A OD1 no hydrogen 3.200 N/A ALA 457.A N VAL 454.A O no hydrogen 3.385 N/A TYR 458.A N LYS 489.A O no hydrogen 2.961 N/A TYR 458.A OH GLU 563.A OE1 no hydrogen 2.913 N/A SER 461.A N ILE 487.A O no hydrogen 2.847 N/A SER 461.A OG SER 484.A OG no hydrogen 3.346 N/A GLY 463.A N SER 461.A OG no hydrogen 3.428 N/A ALA 464.A N SER 461.A O no hydrogen 3.030 N/A SER 465.A N PHE 479.A O no hydrogen 3.065 N/A ILE 467.A N LEU 477.A O no hydrogen 2.823 N/A GLY 469.A N ASN 476.A OD1 no hydrogen 2.986 N/A THR 473.A OG1 GLY 475.A O no hydrogen 3.303 N/A LEU 477.A N ILE 467.A O no hydrogen 3.025 N/A LEU 478.A N ILE 579.A O no hydrogen 3.057 N/A PHE 479.A N SER 465.A O no hydrogen 2.766 N/A LEU 480.A N ILE 577.A O no hydrogen 2.994 N/A LYS 481.A N GLY 463.A O no hydrogen 2.731 N/A GLU 482.A N GLY 463.A O no hydrogen 2.920 N/A SER 484.A OG SER 461.A OG no hydrogen 3.346 N/A ASN 485.A ND2 GLN 520.A OE1 no hydrogen 2.585 N/A SER 486.A N SER 484.A OG no hydrogen 3.143 N/A ILE 487.A N ILE 566.A O no hydrogen 2.932 N/A LYS 489.A N ALA 459.A O no hydrogen 3.408 N/A PHE 490.A N LEU 564.A O no hydrogen 2.721 N/A LYS 491.A NZ ASP 560.A O no hydrogen 3.526 N/A VAL 492.A N ASN 562.A O no hydrogen 3.120 N/A THR 493.A N ASN 442.A O no hydrogen 3.215 N/A THR 493.A OG1 PHE 441.A O no hydrogen 2.711 N/A LEU 499.A N ASN 495.A O no hydrogen 2.712 N/A LEU 499.A N SER 496.A O no hydrogen 3.086 N/A LEU 500.A N SER 496.A O no hydrogen 3.250 N/A ARG 502.A NH1 ASP 525.A OD1 no hydrogen 2.987 N/A ARG 502.A NH2 ASN 554.A O no hydrogen 2.708 N/A TYR 503.A N MET 555.A O no hydrogen 2.640 N/A TYR 503.A OH ALA 498.A O no hydrogen 2.826 N/A ARG 504.A N ILE 585.A O no hydrogen 2.794 N/A ARG 504.A NE THR 550.A OG1 no hydrogen 3.391 N/A ARG 506.A N GLU 583.A O no hydrogen 2.980 N/A ARG 506.A NH1 LEU 228.A O no hydrogen 2.656 N/A ARG 506.A NH2 GLU 583.A OE1 no hydrogen 2.749 N/A ILE 507.A N ALA 549.A O no hydrogen 2.689 N/A ARG 508.A N LYS 581.A O no hydrogen 2.944 N/A TYR 509.A N ASP 547.A O no hydrogen 3.076 N/A TYR 509.A OH ASN 532.A O no hydrogen 2.981 N/A ALA 510.A N TYR 578.A O no hydrogen 2.924 N/A SER 511.A N THR 534.A OG1 no hydrogen 2.936 N/A SER 511.A OG THR 513.A O no hydrogen 2.623 N/A THR 512.A N LYS 576.A O no hydrogen 2.932 N/A THR 512.A OG1 GLU 575.A OE1 no hydrogen 2.589 N/A THR 512.A OG1 LYS 576.A O no hydrogen 3.361 N/A THR 513.A N SER 511.A OG no hydrogen 3.078 N/A LEU 515.A N ILE 531.A O no hydrogen 2.969 N/A ARG 516.A N GLU 569.A OE2 no hydrogen 3.272 N/A ARG 516.A NE GLU 569.A OE1 no hydrogen 2.854 N/A ARG 516.A NH2 GLU 569.A OE1 no hydrogen 2.801 N/A LEU 517.A N ILE 529.A O no hydrogen 2.549 N/A PHE 518.A N GLY 567.A O no hydrogen 2.971 N/A VAL 519.A N LEU 527.A O no hydrogen 2.916 N/A GLN 520.A N ILE 565.A O no hydrogen 2.995 N/A ASN 521.A N ASP 525.A O no hydrogen 3.381 N/A ASN 521.A ND2 ASP 525.A OD2 no hydrogen 2.959 N/A SER 522.A N GLU 563.A O no hydrogen 3.054 N/A SER 522.A OG LYS 561.A O no hydrogen 3.179 N/A ASN 523.A N ASN 521.A OD1 no hydrogen 3.078 N/A ASN 524.A N ASN 521.A O no hydrogen 3.162 N/A ASP 525.A N ASN 521.A OD1 no hydrogen 2.788 N/A LEU 527.A N VAL 519.A O no hydrogen 2.784 N/A ILE 529.A N LEU 517.A O no hydrogen 2.716 N/A ILE 531.A N LEU 515.A O no hydrogen 2.716 N/A ASN 532.A N TYR 509.A OH no hydrogen 3.110 N/A LYS 533.A N ASN 514.A OD1 no hydrogen 3.293 N/A LYS 533.A NZ ASN 536.A OD1 no hydrogen 2.768 N/A THR 534.A N SER 511.A O no hydrogen 2.795 N/A THR 534.A OG1 SER 511.A O no hydrogen 3.263 N/A THR 534.A OG1 THR 545.A O no hydrogen 2.875 N/A MET 535.A N SER 511.A O no hydrogen 3.383 N/A ASN 536.A N ASP 539.A OD1 no hydrogen 2.901 N/A ASP 539.A N ASN 536.A O no hydrogen 2.958 N/A THR 542.A N ASP 540.A O no hydrogen 2.871 N/A TYR 543.A N ASP 179.A OD1 no hydrogen 3.013 N/A THR 545.A N THR 542.A O no hydrogen 2.966 N/A THR 545.A OG1 THR 542.A O no hydrogen 2.629 N/A PHE 546.A N TYR 543.A O no hydrogen 3.213 N/A ASP 547.A N TYR 509.A O no hydrogen 2.844 N/A LEU 548.A N ASP 547.A OD2 no hydrogen 2.686 N/A ALA 549.A N ILE 507.A O no hydrogen 3.050 N/A THR 550.A OG1 VAL 505.A O no hydrogen 2.859 N/A THR 550.A OG1 THR 551.A O no hydrogen 3.061 N/A THR 551.A OG1 VAL 528.A O no hydrogen 3.469 N/A ASN 552.A N ASN 552.A OD1 no hydrogen 2.386 N/A MET 555.A N TYR 503.A O no hydrogen 2.790 N/A GLY 556.A N ASP 525.A OD2 no hydrogen 2.953 N/A SER 558.A N ASN 562.A OD1 no hydrogen 3.182 N/A ASN 562.A ND2 SER 558.A O no hydrogen 3.270 N/A ASN 562.A ND2 GLY 559.A O no hydrogen 2.730 N/A GLU 563.A N SER 522.A OG no hydrogen 3.132 N/A LEU 564.A N PHE 490.A O no hydrogen 2.804 N/A ILE 565.A N GLN 520.A O no hydrogen 2.958 N/A ILE 566.A N ALA 488.A O no hydrogen 2.980 N/A GLY 567.A N PHE 518.A O no hydrogen 2.856 N/A ALA 568.A N SER 484.A O no hydrogen 2.781 N/A GLU 569.A N ARG 516.A O no hydrogen 3.427 N/A LYS 576.A N THR 512.A OG1 no hydrogen 2.861 N/A LYS 576.A NZ LYS 537.A O no hydrogen 2.529 N/A TYR 578.A N ALA 510.A O no hydrogen 2.776 N/A ILE 579.A N LEU 478.A O no hydrogen 2.970 N/A ASP 580.A N ARG 508.A O no hydrogen 2.967 N/A LYS 581.A N ARG 508.A O no hydrogen 3.474 N/A LYS 581.A NZ THR 473.A O no hydrogen 3.262 N/A LYS 581.A NZ ASP 580.A OD1 no hydrogen 2.679 N/A LYS 581.A NZ ASP 580.A OD2 no hydrogen 2.874 N/A ILE 582.A N LEU 452.A O no hydrogen 2.910 N/A GLU 583.A N ARG 506.A O no hydrogen 2.725 N/A PHE 584.A N THR 450.A O no hydrogen 2.768 N/A ILE 585.A N ARG 504.A O no hydrogen 2.888 N/A VAL 587.A N ARG 502.A O no hydrogen 2.861 N/A