Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n8t_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N GLY 380.A O no hydrogen 3.411 N/A LYS 2.A NZ GLU 333.A OE1 no hydrogen 3.272 N/A TYR 4.A N GLY 347.A O no hydrogen 2.981 N/A LEU 5.A N GLU 382.A O no hydrogen 2.895 N/A THR 6.A N ILE 349.A O no hydrogen 2.996 N/A THR 6.A OG1 PRO 384.A O no hydrogen 2.913 N/A VAL 8.A N ALA 351.A O no hydrogen 3.016 N/A LEU 9.A N VAL 57.A O no hydrogen 2.862 N/A HIS 10.A N TYR 353.A O no hydrogen 2.757 N/A THR 11.A N ASN 59.A O no hydrogen 2.996 N/A THR 11.A OG1 ASN 59.A O no hydrogen 2.806 N/A THR 11.A OG1 THR 355.A OG1 no hydrogen 2.562 N/A HIS 12.A ND1 THR 61.A OG1 no hydrogen 3.223 N/A HIS 12.A NE2 ASP 467.A OD2 no hydrogen 2.869 N/A TYR 15.A OH ARG 519.A O no hydrogen 2.477 N/A VAL 16.A N GLN 67.A OE1 no hydrogen 2.776 N/A ARG 17.A N GLN 67.A OE1 no hydrogen 3.031 N/A ARG 17.A NE ASP 70.A OD1 no hydrogen 2.788 N/A ARG 17.A NH1 TYR 15.A OH no hydrogen 3.000 N/A ARG 17.A NH1 GLU 518.A O no hydrogen 2.731 N/A ARG 17.A NH2 GLU 518.A O no hydrogen 3.169 N/A ARG 17.A NH2 GLU 518.A OE2 no hydrogen 2.913 N/A LYS 18.A N GLU 26.A OE2 no hydrogen 2.753 N/A HIS 19.A N VAL 16.A O no hydrogen 3.173 N/A HIS 19.A NE2 ASP 520.A OD1 no hydrogen 2.715 N/A LYS 21.A NZ GLU 26.A OE1 no hydrogen 3.019 N/A LYS 21.A NZ TYR 72.A OH no hydrogen 3.165 N/A GLU 26.A N GLY 20.A O no hydrogen 3.031 N/A GLU 27.A N LYS 21.A O no hydrogen 2.997 N/A TRP 28.A N GLY 25.A O no hydrogen 3.015 N/A PHE 30.A N GLU 26.A O no hydrogen 3.254 N/A GLU 31.A N GLU 27.A O no hydrogen 2.954 N/A ALA 32.A N TRP 28.A O no hydrogen 2.960 N/A ILE 33.A N VAL 29.A O no hydrogen 2.814 N/A SER 34.A N PHE 30.A O no hydrogen 3.046 N/A SER 34.A OG PHE 30.A O no hydrogen 3.090 N/A SER 34.A OG GLU 31.A O no hydrogen 3.465 N/A GLU 35.A N GLU 31.A O no hydrogen 2.916 N/A THR 36.A N ALA 32.A O no hydrogen 2.828 N/A THR 36.A OG1 PHE 358.A O no hydrogen 2.607 N/A TYR 37.A N ALA 32.A O no hydrogen 2.850 N/A ILE 38.A N ILE 33.A O no hydrogen 3.133 N/A LEU 40.A N THR 36.A O no hydrogen 2.922 N/A LEU 41.A N TYR 37.A O no hydrogen 2.996 N/A MET 42.A N ILE 38.A O no hydrogen 2.913 N/A GLU 43.A N PRO 39.A O no hydrogen 3.009 N/A PHE 44.A N LEU 40.A O no hydrogen 2.729 N/A GLU 45.A N LEU 41.A O no hydrogen 2.909 N/A ARG 46.A N MET 42.A O no hydrogen 2.886 N/A ARG 46.A NE GLU 43.A OE1 no hydrogen 3.240 N/A ARG 46.A NH2 GLU 43.A OE2 no hydrogen 2.730 N/A ARG 46.A NH2 GLU 374.A OE1 no hydrogen 3.448 N/A LEU 47.A N GLU 43.A O no hydrogen 2.942 N/A ARG 48.A N PHE 44.A O no hydrogen 3.031 N/A ARG 48.A NE ASP 49.A OD1 no hydrogen 3.011 N/A ARG 48.A NH1 GLU 45.A OE2 no hydrogen 3.467 N/A ARG 48.A NH1 GLU 129.A OE1 no hydrogen 3.275 N/A ARG 48.A NH1 GLN 133.A OE1 no hydrogen 3.063 N/A ARG 48.A NH2 GLU 45.A OE2 no hydrogen 2.893 N/A ARG 48.A NH2 ASP 49.A OD1 no hydrogen 3.258 N/A ASP 49.A N GLU 45.A O no hydrogen 2.873 N/A SER 50.A N LEU 47.A O no hydrogen 3.227 N/A SER 50.A OG ARG 46.A O no hydrogen 3.270 N/A SER 50.A OG LEU 47.A O no hydrogen 3.449 N/A GLY 51.A N ARG 48.A O no hydrogen 2.916 N/A VAL 52.A N LEU 47.A O no hydrogen 3.210 N/A GLY 55.A N THR 383.A OG1 no hydrogen 3.109 N/A ILE 56.A N TYR 135.A O no hydrogen 3.037 N/A VAL 57.A N PHE 7.A O no hydrogen 2.802 N/A ILE 58.A N GLU 137.A O no hydrogen 2.923 N/A ASN 59.A N LEU 9.A O no hydrogen 2.870 N/A THR 61.A N THR 11.A O no hydrogen 3.361 N/A THR 61.A OG1 THR 11.A O no hydrogen 3.561 N/A THR 61.A OG1 HIS 12.A ND1 no hydrogen 3.223 N/A LEU 64.A N THR 61.A OG1 no hydrogen 3.279 N/A ALA 65.A N THR 61.A O no hydrogen 2.993 N/A GLU 66.A N PRO 62.A O no hydrogen 2.849 N/A GLN 67.A N LEU 64.A O no hydrogen 2.911 N/A GLN 67.A NE2 PRO 14.A O no hydrogen 3.048 N/A GLN 67.A NE2 VAL 63.A O no hydrogen 3.112 N/A LEU 68.A N LEU 64.A O no hydrogen 2.944 N/A THR 69.A N ALA 65.A O no hydrogen 3.226 N/A THR 69.A OG1 ALA 65.A O no hydrogen 3.046 N/A THR 69.A OG1 GLU 66.A O no hydrogen 3.437 N/A ASP 70.A N GLN 67.A O no hydrogen 3.344 N/A TYR 72.A OH GLU 26.A OE1 no hydrogen 3.094 N/A TYR 72.A OH GLU 26.A OE2 no hydrogen 2.662 N/A MET 73.A N ASP 70.A OD1 no hydrogen 3.009 N/A LYS 74.A N ASP 70.A O no hydrogen 2.936 N/A LYS 75.A N GLU 71.A O no hydrogen 3.052 N/A ALA 76.A N TYR 72.A O no hydrogen 2.946 N/A PHE 77.A N MET 73.A O no hydrogen 3.009 N/A PHE 77.A N LYS 74.A O no hydrogen 3.231 N/A GLU 78.A N LYS 74.A O no hydrogen 3.141 N/A GLU 79.A N LYS 75.A O no hydrogen 3.006 N/A TYR 80.A N ALA 76.A O no hydrogen 3.008 N/A MET 81.A N PHE 77.A O no hydrogen 2.725 N/A GLU 82.A N GLU 78.A O no hydrogen 2.955 N/A ARG 83.A N GLU 79.A O no hydrogen 3.161 N/A LYS 84.A N TYR 80.A O no hydrogen 2.917 N/A LEU 85.A N MET 81.A O no hydrogen 2.853 N/A LYS 86.A N GLU 82.A O no hydrogen 3.077 N/A ALA 87.A N ARG 83.A O no hydrogen 3.107 N/A MET 88.A N LYS 84.A O no hydrogen 2.974 N/A GLU 89.A N LEU 85.A O no hydrogen 2.849 N/A GLU 90.A N LYS 86.A O no hydrogen 2.985 N/A ASP 91.A N ALA 87.A O no hydrogen 2.983 N/A LEU 92.A N MET 88.A O no hydrogen 3.014 N/A LYS 93.A N GLU 89.A O no hydrogen 2.999 N/A SER 94.A N GLU 90.A O no hydrogen 3.062 N/A SER 94.A OG ASP 91.A O no hydrogen 2.684 N/A GLY 95.A N LEU 92.A O no hydrogen 3.418 N/A LYS 96.A N SER 94.A OG no hydrogen 3.247 N/A ALA 101.A N ASP 98.A OD2 no hydrogen 2.689 N/A VAL 102.A N ASP 98.A O no hydrogen 3.167 N/A SER 103.A N GLU 99.A O no hydrogen 2.972 N/A SER 103.A OG GLU 99.A O no hydrogen 3.208 N/A TYR 104.A N LYS 100.A O no hydrogen 2.894 N/A MET 105.A N ALA 101.A O no hydrogen 3.201 N/A LEU 106.A N VAL 102.A O no hydrogen 2.766 N/A ASN 107.A N SER 103.A O no hydrogen 2.846 N/A TYR 108.A N TYR 104.A O no hydrogen 2.986 N/A PHE 109.A N MET 105.A O no hydrogen 2.890 N/A ARG 110.A N LEU 106.A O no hydrogen 3.110 N/A ARG 110.A NH1 ASN 107.A OD1 no hydrogen 3.369 N/A ARG 110.A NH2 GLU 89.A OE2 no hydrogen 2.553 N/A LYS 111.A N ASN 107.A O no hydrogen 3.172 N/A VAL 112.A N TYR 108.A O no hydrogen 3.126 N/A TYR 113.A N PHE 109.A O no hydrogen 2.794 N/A TYR 113.A OH GLU 82.A OE2 no hydrogen 2.538 N/A ASP 114.A N ARG 110.A O no hydrogen 2.806 N/A TYR 115.A N LYS 111.A O no hydrogen 2.954 N/A TYR 115.A OH GLU 45.A OE1 no hydrogen 2.871 N/A TRP 116.A N VAL 112.A O no hydrogen 2.820 N/A TRP 116.A NE1 GLU 78.A OE2 no hydrogen 3.191 N/A LYS 117.A N TYR 113.A O no hydrogen 2.904 N/A ALA 118.A N ASP 114.A O no hydrogen 2.685 N/A ILE 119.A N TYR 115.A O no hydrogen 3.138 N/A ASN 120.A N LYS 117.A O no hydrogen 2.918 N/A GLY 121.A N TRP 116.A O no hydrogen 2.940 N/A ASP 122.A N ILE 119.A O no hydrogen 3.037 N/A ILE 123.A N GLY 121.A O no hydrogen 3.015 N/A GLY 125.A N ASP 122.A OD1 no hydrogen 3.069 N/A LYS 126.A N ASP 122.A O no hydrogen 3.016 N/A LYS 126.A NZ GLU 45.A OE2 no hydrogen 2.888 N/A LYS 126.A NZ GLU 129.A OE1 no hydrogen 3.182 N/A LYS 126.A NZ GLU 129.A OE2 no hydrogen 2.817 N/A LEU 127.A N ILE 123.A O no hydrogen 3.127 N/A ARG 128.A N ILE 124.A O no hydrogen 2.796 N/A GLU 129.A N GLY 125.A O no hydrogen 2.880 N/A LEU 130.A N LYS 126.A O no hydrogen 2.842 N/A GLN 131.A N LEU 127.A O no hydrogen 2.797 N/A GLN 131.A NE2 TYR 168.A OH no hydrogen 3.233 N/A ASP 132.A N ARG 128.A O no hydrogen 2.811 N/A GLN 133.A N GLU 129.A O no hydrogen 2.861 N/A GLN 133.A NE2 GLU 129.A OE1 no hydrogen 3.099 N/A GLY 134.A N GLN 131.A O no hydrogen 2.862 N/A TYR 135.A N LEU 130.A O no hydrogen 3.095 N/A VAL 136.A N LEU 130.A O no hydrogen 3.334 N/A GLU 137.A N ILE 56.A O no hydrogen 2.980 N/A VAL 138.A N GLN 131.A OE1 no hydrogen 3.046 N/A ILE 139.A N ILE 58.A O no hydrogen 2.898 N/A THR 140.A N GLY 178.A O no hydrogen 3.184 N/A THR 140.A OG1 SER 141.A O no hydrogen 3.531 N/A THR 140.A OG1 GLY 164.A O no hydrogen 3.148 N/A SER 141.A OG TRP 180.A O no hydrogen 2.906 N/A ALA 143.A N GLN 160.A O no hydrogen 2.905 N/A THR 144.A N GLN 160.A OE1 no hydrogen 3.073 N/A THR 144.A OG1 LEU 461.A O no hydrogen 2.555 N/A HIS 145.A N ALA 142.A O no hydrogen 3.031 N/A HIS 145.A ND1 SER 466.A OG no hydrogen 3.071 N/A GLY 146.A N GLN 160.A OE1 no hydrogen 3.503 N/A TYR 147.A OH HIS 413.A ND1 no hydrogen 2.731 N/A LEU 150.A N TYR 147.A O no hydrogen 2.816 N/A LEU 151.A N LEU 148.A O no hydrogen 2.995 N/A GLY 152.A N GLU 432.A OE1 no hydrogen 2.845 N/A ARG 153.A NE GLU 155.A OE1 no hydrogen 2.916 N/A ARG 153.A NH2 GLU 155.A OE1 no hydrogen 3.234 N/A ARG 153.A NH2 GLU 155.A OE2 no hydrogen 3.222 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.871 N/A ALA 156.A N ARG 153.A O no hydrogen 3.220 N/A ILE 157.A N ARG 153.A O no hydrogen 3.327 N/A ARG 158.A N ASP 154.A O no hydrogen 2.914 N/A ARG 158.A NE GLU 211.A OE1 no hydrogen 2.870 N/A ARG 158.A NH2 GLU 211.A OE2 no hydrogen 3.518 N/A ALA 159.A N GLU 155.A O no hydrogen 2.897 N/A GLN 160.A N ALA 156.A O no hydrogen 3.048 N/A GLN 160.A NE2 THR 144.A OG1 no hydrogen 3.127 N/A GLN 160.A NE2 GLU 464.A OE1 no hydrogen 2.679 N/A ILE 161.A N ILE 157.A O no hydrogen 3.182 N/A ALA 162.A N ARG 158.A O no hydrogen 2.816 N/A ASN 163.A N ALA 159.A O no hydrogen 2.857 N/A ASN 163.A ND2 ALA 159.A O no hydrogen 2.786 N/A ASN 163.A ND2 VAL 527.A O no hydrogen 3.085 N/A GLY 164.A N GLN 160.A O no hydrogen 3.024 N/A VAL 165.A N ILE 161.A O no hydrogen 2.918 N/A ALA 166.A N ALA 162.A O no hydrogen 3.128 N/A THR 167.A N ASN 163.A O no hydrogen 2.983 N/A THR 167.A OG1 ASN 163.A O no hydrogen 3.234 N/A TYR 168.A N GLY 164.A O no hydrogen 2.849 N/A TYR 168.A OH VAL 138.A O no hydrogen 2.585 N/A GLU 169.A N VAL 165.A O no hydrogen 2.897 N/A LYS 170.A N ALA 166.A O no hydrogen 3.005 N/A LYS 170.A NZ GLU 66.A OE1 no hydrogen 3.500 N/A LYS 170.A NZ GLU 66.A OE2 no hydrogen 2.817 N/A LYS 170.A NZ ARG 524.A O no hydrogen 3.084 N/A HIS 171.A N THR 167.A O no hydrogen 3.022 N/A HIS 171.A NE2 GLU 66.A OE2 no hydrogen 2.960 N/A PHE 172.A N TYR 168.A O no hydrogen 2.712 N/A GLY 173.A N GLU 169.A O no hydrogen 2.760 N/A LYS 175.A NZ GLU 169.A OE2 no hydrogen 3.143 N/A ILE 179.A N TYR 216.A O no hydrogen 3.144 N/A TRP 180.A N THR 140.A O no hydrogen 2.786 N/A CYS 184.A N LEU 181.A O no hydrogen 2.775 N/A CYS 184.A SG PHE 218.A O no hydrogen 3.580 N/A ALA 185.A N PRO 182.A O no hydrogen 2.871 N/A TYR 186.A N GLY 405.A O no hydrogen 2.333 N/A TYR 186.A OH GLU 206.A OE1 no hydrogen 2.568 N/A ARG 187.A NE GLU 404.A OE1 no hydrogen 2.818 N/A ARG 187.A NE HIS 413.A NE2 no hydrogen 3.412 N/A GLY 190.A N ARG 202.A O no hydrogen 3.032 N/A TRP 192.A N VAL 200.A O no hydrogen 2.677 N/A LEU 194.A N ARG 198.A O no hydrogen 2.756 N/A ARG 198.A NH1 ASP 433.A OD2 no hydrogen 3.416 N/A ARG 198.A NH2 GLY 152.A O no hydrogen 3.471 N/A ARG 198.A NH2 ASP 433.A OD1 no hydrogen 3.364 N/A VAL 200.A N TRP 192.A O no hydrogen 2.895 N/A ARG 202.A N GLY 190.A O no hydrogen 3.057 N/A ARG 202.A NE ASP 154.A OD1 no hydrogen 2.826 N/A ARG 202.A NH1 LEU 151.A O no hydrogen 3.118 N/A ARG 202.A NH2 LEU 151.A O no hydrogen 2.972 N/A GLN 203.A NE2 GLU 211.A OE2 no hydrogen 2.990 N/A ILE 205.A N ARG 187.A O no hydrogen 2.839 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.822 N/A LYS 207.A N GLY 204.A O no hydrogen 3.107 N/A LYS 207.A NZ GLU 210.A OE1 no hydrogen 2.188 N/A LYS 207.A NZ GLY 253.A O no hydrogen 2.871 N/A LEU 209.A N ILE 205.A O no hydrogen 3.195 N/A GLU 210.A N GLU 206.A O no hydrogen 2.965 N/A GLU 211.A N LYS 207.A O no hydrogen 3.404 N/A PHE 212.A N LEU 209.A O no hydrogen 3.030 N/A GLY 213.A N GLU 210.A O no hydrogen 2.899 N/A LEU 214.A N LEU 209.A O no hydrogen 3.159 N/A ARG 215.A N LYS 177.A O no hydrogen 2.653 N/A TYR 216.A N LYS 177.A O no hydrogen 3.354 N/A TYR 216.A OH GLU 137.A OE1 no hydrogen 2.421 N/A PHE 217.A N ALA 257.A O no hydrogen 3.199 N/A VAL 219.A N PHE 259.A O no hydrogen 3.081 N/A SER 221.A N GLU 220.A OE1 no hydrogen 3.188 N/A SER 221.A OG GLU 220.A OE1 no hydrogen 3.396 N/A SER 221.A OG ARG 261.A O no hydrogen 2.633 N/A ARG 222.A NE SER 411.A OG no hydrogen 2.468 N/A ARG 222.A NH2 GLU 404.A O no hydrogen 3.080 N/A ARG 222.A NH2 SER 411.A O no hydrogen 2.727 N/A LEU 223.A N GLU 220.A O no hydrogen 2.941 N/A ILE 224.A N SER 221.A O no hydrogen 2.976 N/A ASP 225.A N SER 221.A O no hydrogen 2.747 N/A GLU 226.A N ARG 222.A O no hydrogen 2.929 N/A GLY 227.A N ASP 225.A OD1 no hydrogen 2.694 N/A SER 230.A OG ASN 231.A OD1 no hydrogen 3.335 N/A SER 230.A OG GLU 235.A OE1 no hydrogen 2.465 N/A VAL 232.A N SER 230.A OG no hydrogen 3.306 N/A GLU 235.A N VAL 232.A O no hydrogen 3.110 N/A THR 241.A OG1 LYS 243.A O no hydrogen 2.664 N/A LEU 246.A N THR 244.A OG1 no hydrogen 3.028 N/A ARG 247.A NE TYR 249.A OH no hydrogen 3.297 N/A ARG 247.A NH1 GLU 345.A OE2 no hydrogen 3.127 N/A ARG 247.A NH2 TYR 249.A OH no hydrogen 3.289 N/A TYR 249.A N VAL 258.A O no hydrogen 3.108 N/A TYR 249.A OH THR 244.A O no hydrogen 2.694 N/A TRP 250.A N HIS 398.A O no hydrogen 2.869 N/A ILE 251.A N VAL 256.A O no hydrogen 2.832 N/A LYS 252.A N ILE 400.A O no hydrogen 2.810 N/A SER 254.A N ILE 251.A O no hydrogen 3.154 N/A SER 254.A OG ILE 251.A O no hydrogen 3.323 N/A ASN 255.A N GLU 210.A OE2 no hydrogen 3.092 N/A VAL 256.A N SER 254.A OG no hydrogen 2.910 N/A ALA 257.A N ARG 215.A O no hydrogen 3.086 N/A VAL 258.A N TYR 249.A O no hydrogen 2.899 N/A PHE 259.A N PHE 217.A O no hydrogen 3.189 N/A ARG 261.A N VAL 219.A O no hydrogen 3.286 N/A ARG 261.A NE GLU 220.A OE1 no hydrogen 2.853 N/A ARG 261.A NH1 GLU 220.A OE2 no hydrogen 2.986 N/A ASN 262.A N VAL 350.A O no hydrogen 2.952 N/A ASN 262.A ND2 THR 265.A OG1 no hydrogen 3.051 N/A ARG 263.A NE ASP 225.A OD2 no hydrogen 2.548 N/A ARG 263.A NH1 PRO 228.A O no hydrogen 2.889 N/A ARG 263.A NH1 LEU 237.A O no hydrogen 2.820 N/A ARG 263.A NH2 ASP 225.A OD1 no hydrogen 2.894 N/A ARG 263.A NH2 ASP 225.A OD2 no hydrogen 3.280 N/A ARG 263.A NH2 PRO 228.A O no hydrogen 2.883 N/A GLU 264.A N GLU 264.A OE1 no hydrogen 2.952 N/A GLY 266.A N ASN 262.A O no hydrogen 3.059 N/A HIS 267.A N ARG 263.A O no hydrogen 2.710 N/A HIS 267.A ND1 VAL 236.A O no hydrogen 3.242 N/A GLN 268.A N GLU 264.A O no hydrogen 2.899 N/A TRP 270.A N GLY 266.A O no hydrogen 2.987 N/A SER 271.A N HIS 267.A O no hydrogen 2.910 N/A TYR 274.A N SER 271.A OG no hydrogen 2.751 N/A GLY 275.A N SER 271.A O no hydrogen 2.743 N/A TYR 276.A OH HIS 327.A ND1 no hydrogen 2.566 N/A GLY 278.A N GLY 275.A O no hydrogen 3.212 N/A ASP 279.A N TYR 276.A O no hydrogen 3.029 N/A TRP 281.A N ASP 279.A OD2 no hydrogen 2.835 N/A TYR 282.A N ASP 279.A O no hydrogen 3.070 N/A TYR 282.A OH HIS 324.A ND1 no hydrogen 2.492 N/A ARG 283.A N GLU 364.A OE2 no hydrogen 2.921 N/A ARG 283.A NH1 GLU 35.A OE2 no hydrogen 2.806 N/A GLU 284.A N TRP 297.A O no hydrogen 2.786 N/A HIS 286.A N GLU 284.A OE2 no hydrogen 2.910 N/A HIS 286.A ND1 GLU 284.A OE2 no hydrogen 3.117 N/A LYS 287.A NZ LEU 306.A O no hydrogen 2.537 N/A ALA 289.A N GLY 294.A O no hydrogen 2.821 N/A SER 292.A N PRO 290.A O no hydrogen 3.026 N/A SER 292.A OG ASP 91.A OD2 no hydrogen 2.407 N/A GLY 293.A N ALA 289.A O no hydrogen 2.741 N/A GLY 294.A N SER 292.A OG no hydrogen 3.043 N/A GLN 295.A NE2 PHE 285.A O no hydrogen 2.776 N/A TYR 296.A OH ASP 91.A OD2 no hydrogen 2.438 N/A ARG 298.A N GLU 310.A O no hydrogen 2.979 N/A ARG 298.A NH1 PHE 280.A O no hydrogen 3.073 N/A ARG 298.A NH2 GLU 310.A OE1 no hydrogen 3.282 N/A ILE 299.A N TYR 282.A O no hydrogen 2.731 N/A THR 300.A N PHE 280.A O no hydrogen 3.119 N/A THR 300.A OG1 ARG 298.A O no hydrogen 2.848 N/A SER 301.A N ILE 299.A O no hydrogen 2.836 N/A VAL 304.A N LYS 302.A O no hydrogen 2.849 N/A LYS 309.A N LEU 306.A O no hydrogen 3.507 N/A LYS 309.A NZ GLU 284.A OE1 no hydrogen 2.968 N/A LYS 309.A NZ ILE 299.A O no hydrogen 2.754 N/A GLU 310.A N THR 300.A OG1 no hydrogen 2.901 N/A TYR 312.A N TYR 296.A O no hydrogen 2.827 N/A TYR 312.A OH GLU 364.A OE2 no hydrogen 2.542 N/A LYS 316.A N ASP 313.A OD1 no hydrogen 3.256 N/A ALA 317.A N ASP 313.A O no hydrogen 3.133 N/A MET 318.A N PRO 314.A O no hydrogen 2.908 N/A GLU 319.A N ASP 315.A O no hydrogen 3.025 N/A ARG 320.A N LYS 316.A O no hydrogen 3.038 N/A ARG 320.A NE ASP 279.A OD1 no hydrogen 2.699 N/A ARG 320.A NE ASP 279.A OD2 no hydrogen 3.351 N/A ARG 320.A NH1 GLU 323.A OE1 no hydrogen 2.682 N/A VAL 321.A N ALA 317.A O no hydrogen 3.049 N/A GLU 322.A N MET 318.A O no hydrogen 3.508 N/A GLU 323.A N GLU 319.A O no hydrogen 3.063 N/A HIS 324.A N ARG 320.A O no hydrogen 2.854 N/A HIS 324.A ND1 TYR 282.A OH no hydrogen 2.492 N/A ALA 325.A N VAL 321.A O no hydrogen 2.769 N/A ARG 326.A N GLU 322.A O no hydrogen 3.052 N/A ARG 326.A NE GLU 322.A OE1 no hydrogen 2.573 N/A HIS 327.A N GLU 323.A O no hydrogen 2.916 N/A HIS 327.A ND1 TYR 276.A OH no hydrogen 2.566 N/A PHE 328.A N HIS 324.A O no hydrogen 2.877 N/A VAL 329.A N ALA 325.A O no hydrogen 3.128 N/A SER 330.A N ARG 326.A O no hydrogen 3.013 N/A LEU 331.A N HIS 327.A O no hydrogen 2.977 N/A VAL 332.A N PHE 328.A O no hydrogen 2.853 N/A GLU 333.A N VAL 329.A O no hydrogen 2.936 N/A ARG 334.A N SER 330.A O no hydrogen 2.995 N/A LEU 335.A N LEU 331.A O no hydrogen 2.916 N/A LEU 336.A N VAL 332.A O no hydrogen 2.995 N/A ARG 337.A N GLU 333.A O no hydrogen 2.906 N/A GLU 338.A N ARG 334.A O no hydrogen 2.885 N/A HIS 339.A N LEU 335.A O no hydrogen 3.013 N/A GLU 340.A N LEU 336.A O no hydrogen 2.925 N/A GLU 341.A N ARG 337.A O no hydrogen 3.114 N/A LYS 342.A N GLU 338.A O no hydrogen 2.973 N/A LYS 342.A N HIS 339.A O no hydrogen 3.183 N/A PHE 343.A N HIS 339.A O no hydrogen 2.918 N/A GLY 344.A N GLU 340.A O no hydrogen 2.945 N/A LYS 346.A NZ MET 1.A O no hydrogen 2.383 N/A LYS 346.A NZ GLU 340.A OE1 no hydrogen 3.189 N/A ILE 348.A N LEU 246.A O no hydrogen 2.925 N/A ILE 349.A N TYR 4.A O no hydrogen 2.953 N/A ALA 351.A N THR 6.A O no hydrogen 2.914 N/A TYR 353.A N VAL 8.A O no hydrogen 2.740 N/A TYR 353.A OH THR 265.A O no hydrogen 2.600 N/A THR 355.A N HIS 10.A O no hydrogen 2.975 N/A THR 355.A OG1 THR 11.A OG1 no hydrogen 2.562 N/A GLU 356.A N ASP 354.A OD2 no hydrogen 3.068 N/A LEU 357.A N ASP 354.A O no hydrogen 3.035 N/A PHE 358.A N THR 355.A O no hydrogen 3.025 N/A GLY 359.A N TRP 362.A O no hydrogen 2.686 N/A HIS 360.A NE2 GLU 31.A OE1 no hydrogen 3.115 N/A TRP 361.A N GLU 356.A O no hydrogen 3.033 N/A TRP 362.A N LEU 357.A O no hydrogen 2.844 N/A GLU 364.A N GLU 364.A OE1 no hydrogen 2.700 N/A GLY 365.A N TRP 362.A O no hydrogen 2.860 N/A TRP 368.A N GLU 364.A O no hydrogen 2.927 N/A LEU 369.A N GLY 365.A O no hydrogen 2.827 N/A GLY 370.A N VAL 366.A O no hydrogen 2.920 N/A ARG 371.A N LYS 367.A O no hydrogen 3.034 N/A ARG 371.A NE GLU 322.A OE2 no hydrogen 2.904 N/A ARG 371.A NH2 GLU 322.A OE1 no hydrogen 3.072 N/A VAL 372.A N TRP 368.A O no hydrogen 2.898 N/A LEU 373.A N LEU 369.A O no hydrogen 3.030 N/A GLU 374.A N GLY 370.A O no hydrogen 3.118 N/A LEU 375.A N ARG 371.A O no hydrogen 2.849 N/A LEU 376.A N VAL 372.A O no hydrogen 2.801 N/A TYR 377.A N LEU 373.A O no hydrogen 3.211 N/A GLN 378.A N GLU 374.A O no hydrogen 2.915 N/A ARG 379.A N LEU 375.A O no hydrogen 2.800 N/A ARG 379.A NE GLU 333.A OE2 no hydrogen 2.792 N/A ARG 379.A NH2 GLU 333.A OE1 no hydrogen 2.993 N/A ARG 379.A NH2 GLU 333.A OE2 no hydrogen 2.994 N/A GLY 380.A N TYR 377.A O no hydrogen 3.051 N/A VAL 381.A N LEU 376.A O no hydrogen 2.837 N/A GLU 382.A N GLY 3.A O no hydrogen 3.023 N/A SER 387.A N GLU 137.A OE2 no hydrogen 2.795 N/A SER 387.A OG GLU 137.A OE1 no hydrogen 3.271 N/A ARG 388.A NE GLU 392.A OE1 no hydrogen 3.226 N/A PHE 389.A N THR 385.A O no hydrogen 3.096 N/A LEU 390.A N LEU 386.A O no hydrogen 2.823 N/A GLU 391.A N SER 387.A O no hydrogen 2.911 N/A GLU 392.A N ARG 388.A O no hydrogen 2.952 N/A TYR 393.A N LEU 390.A O no hydrogen 3.149 N/A HIS 398.A ND1 GLU 396.A O no hydrogen 3.151 N/A ILE 400.A N TRP 250.A O no hydrogen 2.732 N/A GLY 405.A N TYR 186.A O no hydrogen 2.857 N/A SER 406.A N SER 411.A O no hydrogen 3.386 N/A SER 406.A OG ASP 412.A O no hydrogen 2.671 N/A TRP 407.A N GLU 183.A O no hydrogen 2.697 N/A TRP 407.A NE1 GLU 183.A OE1 no hydrogen 2.931 N/A GLY 408.A N SER 406.A OG no hydrogen 3.021 N/A ALA 409.A N THR 415.A OG1 no hydrogen 3.322 N/A ASN 410.A N SER 230.A O no hydrogen 2.701 N/A SER 411.A N GLY 408.A O no hydrogen 2.975 N/A SER 411.A OG ASN 410.A O no hydrogen 2.745 N/A HIS 413.A ND1 TYR 147.A OH no hydrogen 2.731 N/A HIS 413.A NE2 GLU 404.A OE1 no hydrogen 3.065 N/A SER 414.A N ASP 412.A OD1 no hydrogen 3.445 N/A SER 414.A OG ALA 409.A O no hydrogen 3.466 N/A SER 414.A OG ASP 412.A OD1 no hydrogen 3.064 N/A TRP 416.A N HIS 413.A O no hydrogen 2.941 N/A TRP 417.A N HIS 413.A O no hydrogen 2.813 N/A ASN 418.A N THR 421.A OG1 no hydrogen 3.124 N/A THR 421.A N ASN 418.A O no hydrogen 3.402 N/A THR 421.A OG1 TRP 416.A O no hydrogen 2.902 N/A GLU 422.A N ASN 418.A O no hydrogen 3.034 N/A THR 424.A N THR 421.A O no hydrogen 3.120 N/A THR 424.A OG1 THR 421.A O no hydrogen 2.901 N/A TRP 425.A N GLU 422.A O no hydrogen 3.390 N/A TRP 425.A NE1 TRP 416.A O no hydrogen 3.225 N/A HIS 427.A ND1 SER 489.A OG no hydrogen 2.817 N/A ILE 428.A N THR 424.A O no hydrogen 3.064 N/A TYR 429.A N TRP 425.A O no hydrogen 2.668 N/A TYR 429.A OH LEU 150.A O no hydrogen 2.767 N/A ARG 430.A N PRO 426.A O no hydrogen 2.742 N/A ARG 430.A NE GLU 540.A OE1 no hydrogen 3.266 N/A ARG 430.A NE GLU 540.A OE2 no hydrogen 3.090 N/A ARG 430.A NH2 GLU 540.A OE1 no hydrogen 2.768 N/A ALA 431.A N HIS 427.A O no hydrogen 3.225 N/A GLU 432.A N ILE 428.A O no hydrogen 2.983 N/A ASP 433.A N TYR 429.A O no hydrogen 3.018 N/A ARG 434.A N ARG 430.A O no hydrogen 3.057 N/A ARG 434.A NE GLU 540.A O no hydrogen 2.908 N/A ARG 434.A NH1 HIS 493.A ND1 no hydrogen 3.014 N/A ARG 434.A NH1 HIS 493.A O no hydrogen 3.201 N/A ARG 434.A NH1 ASN 497.A OD1 no hydrogen 3.163 N/A ARG 434.A NH2 ASN 497.A OD1 no hydrogen 2.790 N/A ARG 434.A NH2 GLU 540.A O no hydrogen 3.164 N/A MET 435.A N ALA 431.A O no hydrogen 2.732 N/A VAL 436.A N GLU 432.A O no hydrogen 3.055 N/A ALA 437.A N ASP 433.A O no hydrogen 3.030 N/A ILE 438.A N ARG 434.A O no hydrogen 2.799 N/A VAL 439.A N MET 435.A O no hydrogen 2.843 N/A SER 440.A N VAL 436.A O no hydrogen 2.914 N/A SER 440.A OG VAL 436.A O no hydrogen 2.674 N/A SER 440.A OG SER 533.A O no hydrogen 3.381 N/A ARG 441.A N ALA 437.A O no hydrogen 3.084 N/A PHE 442.A N ILE 438.A O no hydrogen 2.793 N/A ARG 443.A N VAL 439.A O no hydrogen 2.963 N/A GLY 444.A N ASN 450.A OD1 no hydrogen 3.463 N/A ARG 445.A N PHE 442.A O no hydrogen 3.186 N/A THR 449.A N ASP 446.A OD1 no hydrogen 3.440 N/A THR 449.A OG1 ASP 446.A OD1 no hydrogen 2.577 N/A ASN 450.A N ASP 446.A O no hydrogen 3.212 N/A ARG 451.A N GLU 447.A O no hydrogen 3.207 N/A ARG 451.A NE GLU 517.A OE2 no hydrogen 2.951 N/A ARG 451.A NH2 GLU 517.A OE1 no hydrogen 2.951 N/A VAL 452.A N LEU 448.A O no hydrogen 2.914 N/A ILE 453.A N THR 449.A O no hydrogen 2.818 N/A GLU 454.A N ASN 450.A O no hydrogen 2.899 N/A GLN 455.A N ARG 451.A O no hydrogen 3.090 N/A GLN 455.A NE2 GLU 459.A OE2 no hydrogen 3.106 N/A GLN 455.A NE2 ASP 520.A O no hydrogen 3.048 N/A LEU 456.A N VAL 452.A O no hydrogen 2.886 N/A ALA 457.A N ILE 453.A O no hydrogen 3.000 N/A ARG 458.A N GLU 454.A O no hydrogen 3.186 N/A ARG 458.A NE PRO 522.A O no hydrogen 2.930 N/A ARG 458.A NE PHE 523.A O no hydrogen 2.983 N/A ARG 458.A NH1 GLN 455.A OE1 no hydrogen 2.955 N/A ARG 458.A NH2 PHE 523.A O no hydrogen 2.815 N/A GLU 459.A N GLN 455.A O no hydrogen 3.073 N/A LEU 460.A N LEU 456.A O no hydrogen 2.854 N/A LEU 461.A N ALA 457.A O no hydrogen 2.909 N/A ILE 462.A N ARG 458.A O no hydrogen 2.945 N/A LEU 463.A N GLU 459.A O no hydrogen 2.936 N/A GLU 464.A N LEU 460.A O no hydrogen 2.968 N/A GLU 464.A N LEU 461.A O no hydrogen 3.078 N/A ALA 465.A N ILE 462.A O no hydrogen 2.998 N/A SER 466.A N HIS 145.A O no hydrogen 3.117 N/A SER 466.A OG HIS 145.A ND1 no hydrogen 3.071 N/A SER 466.A OG HIS 145.A O no hydrogen 2.838 N/A TRP 468.A N ALA 465.A O no hydrogen 3.326 N/A TRP 468.A NE1 ILE 462.A O no hydrogen 2.860 N/A GLN 469.A NE2 THR 424.A OG1 no hydrogen 3.233 N/A PHE 470.A N SER 466.A O no hydrogen 2.989 N/A LEU 471.A N ASP 467.A O no hydrogen 2.703 N/A ILE 472.A N TRP 468.A O no hydrogen 3.116 N/A ILE 472.A N GLN 469.A O no hydrogen 3.074 N/A THR 473.A N GLN 469.A O no hydrogen 2.909 N/A THR 473.A OG1 THR 415.A O no hydrogen 2.892 N/A THR 473.A OG1 ASN 418.A OD1 no hydrogen 2.846 N/A THR 473.A OG1 GLN 469.A O no hydrogen 3.402 N/A THR 474.A N PHE 470.A O no hydrogen 3.082 N/A THR 474.A OG1 PHE 470.A O no hydrogen 3.060 N/A GLY 475.A N ILE 472.A O no hydrogen 3.062 N/A ALA 477.A N LEU 471.A O no hydrogen 3.515 N/A LYS 478.A NZ GLU 420.A OE1 no hydrogen 3.355 N/A ALA 481.A N ALA 477.A O no hydrogen 2.940 N/A LYS 482.A N LYS 478.A O no hydrogen 3.019 N/A ARG 483.A N GLU 479.A O no hydrogen 3.101 N/A ARG 484.A N TYR 480.A O no hydrogen 3.114 N/A ARG 484.A NE HIS 488.A NE2 no hydrogen 3.322 N/A ARG 484.A NH1 TYR 15.A O no hydrogen 2.790 N/A ARG 484.A NH1 TYR 480.A OH no hydrogen 2.980 N/A ARG 484.A NH2 TYR 15.A O no hydrogen 2.920 N/A ARG 484.A NH2 HIS 488.A NE2 no hydrogen 2.998 N/A VAL 485.A N ALA 481.A O no hydrogen 3.180 N/A LEU 486.A N LYS 482.A O no hydrogen 3.240 N/A ILE 487.A N ARG 483.A O no hydrogen 2.854 N/A HIS 488.A N ARG 484.A O no hydrogen 3.157 N/A HIS 488.A ND1 GLU 459.A OE1 no hydrogen 2.850 N/A SER 489.A N VAL 485.A O no hydrogen 2.845 N/A SER 489.A OG HIS 427.A ND1 no hydrogen 2.817 N/A ARG 490.A N LEU 486.A O no hydrogen 2.656 N/A ARG 490.A NH1 ASP 491.A OD1 no hydrogen 2.562 N/A ARG 490.A NH1 ASP 491.A OD2 no hydrogen 3.330 N/A ASP 491.A N ILE 487.A O no hydrogen 2.666 N/A PHE 492.A N HIS 488.A O no hydrogen 2.762 N/A HIS 493.A N SER 489.A O no hydrogen 3.151 N/A ARG 494.A N ARG 490.A O no hydrogen 3.086 N/A LEU 495.A N ASP 491.A O no hydrogen 3.050 N/A ALA 496.A N PHE 492.A O no hydrogen 2.939 N/A ASN 497.A N HIS 493.A O no hydrogen 2.677 N/A ASN 497.A ND2 VAL 543.A O no hydrogen 2.939 N/A GLU 498.A N ARG 494.A O no hydrogen 3.027 N/A LEU 499.A N LEU 495.A O no hydrogen 3.097 N/A LEU 499.A N ALA 496.A O no hydrogen 3.062 N/A VAL 500.A N ALA 496.A O no hydrogen 3.068 N/A ARG 501.A N ASN 497.A O no hydrogen 2.962 N/A ARG 501.A NH1 GLU 498.A OE1 no hydrogen 2.915 N/A ARG 501.A NH2 GLU 507.A OE1 no hydrogen 2.877 N/A TYR 502.A N GLU 498.A O no hydrogen 2.921 N/A TYR 502.A OH ASP 446.A OD2 no hydrogen 2.825 N/A VAL 503.A N LEU 499.A O no hydrogen 3.080 N/A LYS 504.A N VAL 500.A O no hydrogen 3.055 N/A LYS 504.A NZ GLU 541.A OE1 no hydrogen 3.105 N/A ILE 505.A N ARG 501.A O no hydrogen 2.951 N/A GLY 506.A N TYR 502.A O no hydrogen 2.766 N/A ASP 509.A N GLU 498.A OE1 no hydrogen 3.071 N/A VAL 510.A N PHE 508.A O no hydrogen 2.909 N/A LEU 512.A N ASP 509.A OD2 no hydrogen 3.309 N/A GLU 514.A N VAL 510.A O no hydrogen 3.002 N/A GLU 515.A N LYS 511.A O no hydrogen 2.987 N/A LEU 516.A N LEU 512.A O no hydrogen 2.829 N/A GLU 517.A N LEU 513.A O no hydrogen 2.794 N/A GLU 518.A N GLU 514.A O no hydrogen 3.192 N/A ARG 519.A N GLU 515.A O no hydrogen 3.147 N/A ARG 519.A NE HIS 19.A NE2 no hydrogen 3.370 N/A ARG 519.A NH1 ASP 491.A OD2 no hydrogen 2.875 N/A ARG 519.A NH2 ASP 491.A OD2 no hydrogen 2.466 N/A ASP 520.A N LEU 516.A O no hydrogen 2.766 N/A ASN 521.A N TYR 15.A OH no hydrogen 3.152 N/A ASN 521.A ND2 ASP 70.A OD2 no hydrogen 3.031 N/A PHE 523.A N GLU 66.A OE1 no hydrogen 2.778 N/A ARG 524.A NH2 ASN 521.A O no hydrogen 3.120 N/A VAL 527.A N ASN 163.A OD1 no hydrogen 3.058 N/A TYR 531.A N VAL 528.A O no hydrogen 2.745 N/A VAL 532.A N GLY 529.A O no hydrogen 3.068 N/A SER 533.A N SER 440.A OG no hydrogen 2.932 N/A SER 533.A OG GLU 155.A OE2 no hydrogen 3.291 N/A ASN 535.A N SER 533.A OG no hydrogen 3.116 N/A TYR 542.A OH GLU 544.A OE1 no hydrogen 2.662 N/A TYR 542.A OH GLU 544.A OE2 no hydrogen 3.349 N/A VAL 543.A N ASN 497.A OD1 no hydrogen 3.216 N/A