Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u55_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N GLU 1.A O no hydrogen 3.339 N/A THR 6.A N ALA 2.A O no hydrogen 3.192 N/A THR 6.A OG1 ALA 2.A O no hydrogen 3.185 N/A VAL 7.A N GLY 3.A O no hydrogen 2.995 N/A GLU 8.A N GLU 4.A O no hydrogen 3.157 N/A GLN 9.A N LYS 5.A O no hydrogen 2.696 N/A PHE 10.A N THR 6.A O no hydrogen 2.954 N/A VAL 11.A N VAL 7.A O no hydrogen 3.083 N/A GLN 12.A N GLU 8.A O no hydrogen 2.933 N/A ALA 13.A N GLN 9.A O no hydrogen 3.062 N/A LEU 14.A N PHE 10.A O no hydrogen 3.095 N/A ASN 15.A N VAL 11.A O no hydrogen 2.830 N/A LYS 16.A N GLN 12.A O no hydrogen 3.213 N/A LYS 16.A N ALA 13.A O no hydrogen 3.231 N/A GLY 17.A N LEU 14.A O no hydrogen 3.125 N/A ASP 18.A N ALA 13.A O no hydrogen 3.043 N/A LYS 21.A N ASP 18.A OD1 no hydrogen 3.343 N/A ALA 22.A N ASP 18.A O no hydrogen 3.047 N/A ALA 23.A N TYR 19.A O no hydrogen 2.819 N/A GLU 24.A N ASN 20.A O no hydrogen 3.194 N/A MET 25.A N ALA 22.A O no hydrogen 3.075 N/A THR 26.A N ALA 23.A O no hydrogen 2.929 N/A THR 26.A OG1 ALA 23.A O no hydrogen 2.653 N/A SER 27.A N ILE 101.A O no hydrogen 2.614 N/A SER 27.A OG THR 100.A OG1 no hydrogen 2.915 N/A SER 27.A OG ASN 102.A OD1 no hydrogen 2.635 N/A LYS 29.A NZ GLU 40.A OE1 no hydrogen 3.334 N/A LYS 29.A NZ GLU 40.A OE2 no hydrogen 3.433 N/A ALA 30.A N SER 34.A O no hydrogen 3.147 N/A ASN 32.A N ASN 32.A OD1 no hydrogen 2.467 N/A LYS 33.A N ALA 30.A O no hydrogen 2.965 N/A SER 34.A N LYS 28.A O no hydrogen 3.079 N/A SER 34.A OG SER 27.A O no hydrogen 2.929 N/A ALA 35.A N TRP 103.A O no hydrogen 2.842 N/A SER 37.A N GLU 40.A OE1 no hydrogen 2.395 N/A SER 37.A OG GLU 40.A OE1 no hydrogen 2.753 N/A LYS 39.A NZ ASP 43.A OD1 no hydrogen 3.038 N/A GLU 40.A N SER 37.A OG no hydrogen 3.400 N/A ILE 41.A N SER 37.A O no hydrogen 3.039 N/A LEU 42.A N GLU 38.A O no hydrogen 3.077 N/A ASP 43.A N LYS 39.A O no hydrogen 3.156 N/A LYS 44.A N GLU 40.A O no hydrogen 2.944 N/A TYR 45.A N ILE 41.A O no hydrogen 3.127 N/A TYR 45.A OH LEU 107.A O no hydrogen 2.788 N/A GLN 46.A N LEU 42.A O no hydrogen 2.987 N/A ASN 47.A N ASP 43.A O no hydrogen 2.961 N/A ILE 48.A N LYS 44.A O no hydrogen 2.938 N/A TYR 49.A N TYR 45.A O no hydrogen 2.728 N/A TYR 49.A OH VAL 108.A O no hydrogen 2.786 N/A GLY 50.A N TYR 45.A O no hydrogen 3.154 N/A ALA 51.A N ASN 47.A O no hydrogen 3.377 N/A ALA 52.A N ILE 48.A O no hydrogen 3.057 N/A ASP 53.A N GLY 50.A O no hydrogen 3.000 N/A VAL 54.A N TYR 49.A O no hydrogen 2.901 N/A LYS 55.A N ASN 81.A O no hydrogen 2.969 N/A LEU 57.A N ASN 15.A OD1 no hydrogen 2.641 N/A GLN 58.A N LYS 79.A O no hydrogen 2.818 N/A SER 60.A N LYS 77.A O no hydrogen 2.774 N/A SER 60.A OG ASN 61.A OD1 no hydrogen 2.685 N/A LYS 63.A N SER 75.A O no hydrogen 2.883 N/A ASP 65.A N SER 73.A O no hydrogen 3.159 N/A LYS 66.A NZ TYR 72.A OH no hydrogen 2.868 N/A LYS 67.A N THR 71.A O no hydrogen 3.181 N/A ASP 68.A N THR 71.A O no hydrogen 2.888 N/A THR 71.A N ASP 68.A O no hydrogen 3.261 N/A TYR 72.A N LEU 96.A O no hydrogen 3.227 N/A SER 73.A N ASP 65.A O no hydrogen 2.909 N/A SER 73.A OG ASP 65.A O no hydrogen 3.540 N/A SER 73.A OG ASP 65.A OD2 no hydrogen 2.696 N/A PHE 74.A N GLY 94.A O no hydrogen 2.775 N/A SER 75.A N LYS 63.A O no hydrogen 2.914 N/A TYR 76.A N TYR 92.A O no hydrogen 2.901 N/A LYS 77.A N SER 60.A O no hydrogen 2.929 N/A LYS 77.A NZ ASP 89.A OD1 no hydrogen 3.068 N/A ALA 78.A N LEU 90.A O no hydrogen 2.830 N/A LYS 79.A N GLN 58.A O no hydrogen 2.845 N/A MET 80.A N LEU 87.A O no hydrogen 2.798 N/A ASN 81.A N LYS 55.A O no hydrogen 2.722 N/A THR 82.A N GLY 85.A O no hydrogen 3.088 N/A THR 82.A OG1 GLY 85.A O no hydrogen 2.916 N/A SER 83.A N ALA 52.A O no hydrogen 2.928 N/A SER 83.A OG ALA 52.A O no hydrogen 2.664 N/A LEU 84.A N THR 82.A OG1 no hydrogen 2.981 N/A GLY 85.A N THR 82.A O no hydrogen 3.107 N/A GLU 86.A N PRO 240.A O no hydrogen 3.256 N/A LEU 87.A N MET 80.A O no hydrogen 2.863 N/A LEU 90.A N ALA 78.A O no hydrogen 3.097 N/A TYR 92.A N TYR 76.A O no hydrogen 2.796 N/A TYR 92.A OH VAL 108.A O no hydrogen 2.656 N/A GLY 94.A N PHE 74.A O no hydrogen 3.054 N/A LEU 96.A N TYR 72.A O no hydrogen 2.778 N/A ASP 97.A N THR 100.A O no hydrogen 2.773 N/A THR 100.A N ASP 97.A O no hydrogen 2.948 N/A THR 100.A OG1 SER 27.A OG no hydrogen 2.915 N/A ILE 101.A N MET 25.A O no hydrogen 2.979 N/A ASN 102.A N THR 95.A O no hydrogen 3.021 N/A ASN 102.A ND2 THR 95.A OG1 no hydrogen 2.737 N/A TRP 103.A N SER 34.A OG no hydrogen 2.972 N/A TRP 103.A NE1 TYR 45.A OH no hydrogen 3.061 N/A GLN 104.A NE2 LYS 33.A O no hydrogen 2.889 N/A LEU 107.A N GLN 104.A O no hydrogen 2.810 N/A VAL 108.A N PRO 105.A O no hydrogen 2.978 N/A MET 112.A N PHE 109.A O no hydrogen 3.060 N/A GLU 113.A N ASP 116.A OD2 no hydrogen 3.212 N/A ASP 116.A N GLU 113.A O no hydrogen 2.948 N/A LYS 117.A N THR 272.A O no hydrogen 2.818 N/A SER 119.A N SER 270.A O no hydrogen 2.812 N/A SER 119.A OG SER 270.A OG no hydrogen 3.195 N/A THR 121.A N LYS 268.A O no hydrogen 3.010 N/A GLN 123.A N GLY 266.A O no hydrogen 2.538 N/A ALA 126.A N ASN 289.A OD1 no hydrogen 2.736 N/A ARG 127.A NE GLU 254.A OE1 no hydrogen 3.016 N/A ARG 127.A NH1 ASP 258.A OD1 no hydrogen 2.959 N/A ARG 127.A NH2 GLU 254.A OE1 no hydrogen 2.863 N/A ARG 127.A NH2 ASP 258.A OD1 no hydrogen 2.858 N/A GLY 128.A N LEU 261.A O no hydrogen 2.747 N/A ASN 129.A N ASP 292.A OD1 no hydrogen 2.463 N/A ASN 129.A ND2 ASP 292.A OD2 no hydrogen 3.512 N/A ILE 130.A N ALA 139.A O no hydrogen 2.984 N/A ILE 131.A N ILE 293.A O no hydrogen 2.976 N/A ASP 132.A N GLU 136.A O no hydrogen 2.848 N/A ARG 133.A N ILE 297.A O no hydrogen 2.799 N/A ARG 133.A NH1 THR 296.A O no hydrogen 3.016 N/A ARG 133.A NH1 ASP 325.A OD2 no hydrogen 3.074 N/A ASN 134.A N ASP 132.A OD1 no hydrogen 2.984 N/A GLY 135.A N ASP 132.A O no hydrogen 2.834 N/A GLU 136.A N ASP 132.A OD1 no hydrogen 2.515 N/A LEU 138.A N ILE 130.A O no hydrogen 2.783 N/A ALA 139.A N ILE 130.A O no hydrogen 3.003 N/A THR 140.A N TYR 214.A O no hydrogen 2.996 N/A THR 140.A OG1 ASN 129.A OD1 no hydrogen 3.190 N/A GLY 142.A N GLY 212.A O no hydrogen 2.690 N/A LYS 143.A NZ GLU 209.A OE2 no hydrogen 3.527 N/A LYS 143.A NZ ASP 211.A OD1 no hydrogen 2.919 N/A LEU 144.A N VAL 210.A O no hydrogen 2.630 N/A GLN 146.A N GLN 208.A O no hydrogen 2.796 N/A LEU 147.A N LYS 196.A O no hydrogen 2.661 N/A GLY 148.A N THR 206.A O no hydrogen 3.036 N/A VAL 149.A N VAL 193.A O no hydrogen 2.992 N/A VAL 150.A N GLY 204.A O no hydrogen 2.883 N/A SER 152.A N PRO 189.A O no hydrogen 2.952 N/A SER 152.A OG PRO 189.A O no hydrogen 3.359 N/A SER 152.A OG ASP 190.A OD1 no hydrogen 2.440 N/A LYS 153.A N VAL 150.A O no hydrogen 2.779 N/A LEU 154.A N PRO 151.A O no hydrogen 3.375 N/A ASP 156.A N GLU 159.A OE2 no hydrogen 3.270 N/A GLU 159.A N ASP 156.A O no hydrogen 2.998 N/A LYS 160.A N ASP 156.A O no hydrogen 3.394 N/A LYS 160.A NZ GLY 155.A O no hydrogen 2.935 N/A THR 161.A N GLY 157.A O no hydrogen 3.209 N/A THR 161.A OG1 GLY 157.A O no hydrogen 3.507 N/A ALA 162.A N GLY 158.A O no hydrogen 3.088 N/A ASN 163.A N GLU 159.A O no hydrogen 3.027 N/A ASN 163.A ND2 LEU 154.A O no hydrogen 2.775 N/A ILE 164.A N LYS 160.A O no hydrogen 2.866 N/A LYS 165.A N THR 161.A O no hydrogen 2.888 N/A LYS 165.A NZ GLU 175.A OE1 no hydrogen 3.287 N/A ALA 166.A N ALA 162.A O no hydrogen 2.900 N/A ILE 167.A N ASN 163.A O no hydrogen 2.901 N/A ALA 168.A N ILE 164.A O no hydrogen 3.033 N/A SER 169.A N LYS 165.A O no hydrogen 3.067 N/A SER 169.A OG LYS 165.A O no hydrogen 3.465 N/A LEU 173.A N ALA 168.A O no hydrogen 2.821 N/A ALA 177.A N THR 174.A OG1 no hydrogen 2.623 N/A ILE 178.A N THR 174.A O no hydrogen 3.209 N/A ASN 179.A N GLU 175.A O no hydrogen 3.070 N/A GLN 180.A N ASP 176.A O no hydrogen 3.108 N/A ALA 181.A N ALA 177.A O no hydrogen 3.146 N/A ILE 182.A N ILE 178.A O no hydrogen 2.982 N/A SER 183.A N ASN 179.A O no hydrogen 2.671 N/A SER 183.A OG ASN 179.A O no hydrogen 3.127 N/A SER 183.A OG GLN 180.A O no hydrogen 2.682 N/A GLN 184.A N GLN 180.A O no hydrogen 2.889 N/A SER 185.A OG GLN 46.A OE1 no hydrogen 3.062 N/A TYR 191.A N GLN 188.A O no hydrogen 2.900 N/A VAL 193.A N VAL 149.A O no hydrogen 2.878 N/A LEU 195.A N LEU 147.A O no hydrogen 2.594 N/A LYS 196.A N LEU 147.A O no hydrogen 3.195 N/A ILE 198.A N LYS 145.A O no hydrogen 2.854 N/A ALA 205.A N PRO 202.A O no hydrogen 2.980 N/A THR 206.A N GLY 148.A O no hydrogen 2.911 N/A GLN 208.A N GLN 146.A O no hydrogen 3.057 N/A VAL 210.A N LEU 144.A O no hydrogen 2.820 N/A GLY 212.A N GLY 142.A O no hydrogen 3.031 N/A ARG 213.A NE GLU 254.A OE2 no hydrogen 2.661 N/A ARG 213.A NH1 GLY 128.A O no hydrogen 2.906 N/A ARG 213.A NH2 GLY 128.A O no hydrogen 2.950 N/A ARG 213.A NH2 GLU 254.A OE1 no hydrogen 2.983 N/A ARG 213.A NH2 GLU 254.A OE2 no hydrogen 3.165 N/A TYR 214.A N THR 140.A O no hydrogen 2.710 N/A TYR 215.A N ASN 338.A OD1 no hydrogen 2.942 N/A TYR 215.A OH GLU 254.A OE2 no hydrogen 2.751 N/A GLY 218.A N TYR 215.A O no hydrogen 3.022 N/A ALA 220.A N LEU 217.A O no hydrogen 2.925 N/A ALA 221.A N GLY 218.A O no hydrogen 3.441 N/A ALA 222.A N GLU 219.A O no hydrogen 3.231 N/A GLN 223.A N GLN 223.A OE1 no hydrogen 2.775 N/A GLN 223.A NE2 SER 331.A O no hydrogen 3.231 N/A GLN 223.A NE2 PRO 359.A O no hydrogen 2.995 N/A ILE 225.A N ALA 221.A O no hydrogen 2.923 N/A GLY 226.A N ALA 222.A O no hydrogen 2.803 N/A GLY 229.A N ILE 248.A O no hydrogen 2.833 N/A ILE 231.A N GLY 246.A O no hydrogen 3.034 N/A THR 232.A N ASP 235.A OD2 no hydrogen 2.873 N/A THR 232.A OG1 GLU 234.A OE1 no hydrogen 3.093 N/A THR 232.A OG1 ASP 235.A OD2 no hydrogen 2.997 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.504 N/A ILE 236.A N THR 232.A O no hydrogen 3.189 N/A ASP 237.A N ALA 233.A O no hydrogen 2.605 N/A LYS 238.A N GLU 234.A O no hydrogen 2.981 N/A ASN 239.A N ASP 235.A O no hydrogen 2.747 N/A GLU 241.A N ASN 239.A OD1 no hydrogen 3.077 N/A LEU 242.A N ASN 239.A O no hydrogen 3.186 N/A SER 243.A OG SER 83.A O no hydrogen 3.101 N/A SER 244.A N THR 82.A O no hydrogen 2.797 N/A SER 244.A OG ASP 53.A O no hydrogen 2.654 N/A ASN 245.A N SER 243.A OG no hydrogen 3.367 N/A ILE 248.A N GLY 229.A O no hydrogen 2.806 N/A GLY 249.A N ASP 258.A OD1 no hydrogen 2.837 N/A ARG 250.A N TYR 227.A O no hydrogen 2.706 N/A ARG 250.A NH1 ASP 235.A OD1 no hydrogen 3.130 N/A ARG 250.A NH1 ASP 235.A OD2 no hydrogen 3.469 N/A ARG 250.A NH2 ASP 235.A OD2 no hydrogen 2.914 N/A LEU 253.A N LEU 224.A O no hydrogen 2.887 N/A GLU 254.A N ILE 225.A O no hydrogen 2.831 N/A MET 255.A N SER 251.A O no hydrogen 3.197 N/A MET 255.A N GLY 252.A O no hydrogen 3.052 N/A ALA 256.A N GLY 252.A O no hydrogen 2.833 N/A PHE 257.A N LEU 253.A O no hydrogen 2.761 N/A ASP 258.A N MET 255.A O no hydrogen 3.478 N/A LYS 259.A NZ ASP 258.A OD2 no hydrogen 3.211 N/A LEU 261.A N PHE 257.A O no hydrogen 2.823 N/A ARG 262.A N ASP 258.A O no hydrogen 2.847 N/A ARG 262.A NH1 LYS 247.A O no hydrogen 3.037 N/A ARG 262.A NH1 ASP 258.A OD2 no hydrogen 2.586 N/A ARG 262.A NH2 LYS 247.A O no hydrogen 2.712 N/A THR 264.A N GLN 288.A O no hydrogen 2.786 N/A THR 264.A OG1 GLU 286.A O no hydrogen 3.266 N/A THR 265.A OG1 GLN 123.A O no hydrogen 3.261 N/A GLY 266.A N GLN 123.A O no hydrogen 3.086 N/A GLY 267.A N HIS 285.A O no hydrogen 2.968 N/A LYS 268.A N THR 121.A O no hydrogen 2.793 N/A LYS 268.A NZ GLU 278.A OE2 no hydrogen 2.327 N/A LEU 269.A N ILE 283.A O no hydrogen 2.902 N/A SER 270.A N SER 119.A O no hydrogen 2.951 N/A SER 270.A OG SER 119.A OG no hydrogen 3.195 N/A ILE 271.A N LYS 280.A O no hydrogen 2.868 N/A THR 272.A N LYS 117.A O no hydrogen 3.011 N/A THR 272.A OG1 ASP 273.A O no hydrogen 2.853 N/A ASP 273.A N VAL 277.A O no hydrogen 3.074 N/A ASP 275.A N ASP 273.A OD1 no hydrogen 2.800 N/A GLY 276.A N ASP 273.A O no hydrogen 2.999 N/A VAL 277.A N ASP 273.A OD1 no hydrogen 2.968 N/A LYS 279.A N ILE 271.A O no hydrogen 2.642 N/A LYS 279.A NZ GLU 111.A O no hydrogen 3.301 N/A LYS 279.A NZ ASP 116.A OD2 no hydrogen 2.419 N/A LYS 280.A N ILE 271.A O no hydrogen 3.171 N/A LYS 280.A NZ GLU 111.A OE2 no hydrogen 3.034 N/A LEU 282.A N LEU 269.A O no hydrogen 2.732 N/A ILE 283.A N LEU 269.A O no hydrogen 3.123 N/A HIS 285.A N GLY 267.A O no hydrogen 3.061 N/A GLN 288.A N THR 264.A O no hydrogen 2.716 N/A GLN 288.A NE2 ASN 289.A O no hydrogen 2.760 N/A GLY 290.A N ALA 126.A O no hydrogen 2.761 N/A LYS 291.A N ASP 260.A O no hydrogen 3.018 N/A ILE 293.A N ASN 129.A O no hydrogen 2.753 N/A LEU 295.A N ILE 131.A O no hydrogen 2.861 N/A THR 296.A N LEU 518.A O no hydrogen 2.791 N/A THR 296.A OG1 LEU 326.A O no hydrogen 2.765 N/A THR 296.A OG1 LYS 517.A O no hydrogen 3.134 N/A THR 296.A OG1 LEU 518.A O no hydrogen 3.220 N/A ASP 298.A N LEU 327.A O no hydrogen 2.865 N/A ALA 299.A N ASP 132.A OD2 no hydrogen 2.896 N/A LYS 300.A N ASP 298.A OD1 no hydrogen 2.974 N/A GLN 302.A N ASP 298.A O no hydrogen 2.721 N/A GLN 302.A NE2 ALA 220.A O no hydrogen 3.095 N/A GLN 302.A NE2 LEU 329.A O no hydrogen 2.881 N/A LYS 303.A N ALA 299.A O no hydrogen 2.934 N/A LYS 303.A NZ ASP 307.A OD1 no hydrogen 2.435 N/A THR 304.A N LYS 300.A O no hydrogen 2.995 N/A THR 304.A OG1 LYS 300.A O no hydrogen 2.810 N/A ALA 305.A N ALA 301.A O no hydrogen 2.885 N/A PHE 306.A N GLN 302.A O no hydrogen 3.049 N/A ASP 307.A N LYS 303.A O no hydrogen 2.961 N/A SER 308.A N THR 304.A O no hydrogen 3.013 N/A SER 308.A OG THR 304.A O no hydrogen 2.889 N/A LEU 309.A N PHE 306.A O no hydrogen 2.996 N/A GLY 310.A N ASP 307.A O no hydrogen 2.888 N/A LYS 312.A N LEU 309.A O no hydrogen 2.918 N/A LYS 312.A NZ GLU 601.A OE1 no hydrogen 2.886 N/A GLY 314.A N SER 332.A O no hydrogen 2.891 N/A SER 315.A N MET 596.A O no hydrogen 3.082 N/A THR 316.A N ALA 330.A O no hydrogen 2.998 N/A THR 316.A OG1 SER 595.A OG no hydrogen 3.060 N/A VAL 317.A N VAL 594.A O no hydrogen 2.928 N/A ALA 318.A N ALA 328.A O no hydrogen 3.197 N/A THR 319.A N MET 592.A O no hydrogen 2.907 N/A THR 320.A N ASP 325.A O no hydrogen 2.974 N/A THR 320.A OG1 THR 320.A O no hydrogen 2.578 N/A THR 320.A OG1 THR 323.A OG1 no hydrogen 2.766 N/A LYS 322.A NZ ASN 588.A O no hydrogen 3.043 N/A THR 323.A N THR 320.A O no hydrogen 3.188 N/A THR 323.A OG1 THR 320.A O no hydrogen 3.449 N/A THR 323.A OG1 THR 320.A OG1 no hydrogen 2.766 N/A THR 323.A OG1 ASP 325.A OD1 no hydrogen 2.321 N/A GLY 324.A N THR 320.A O no hydrogen 2.751 N/A ASP 325.A N THR 323.A OG1 no hydrogen 3.396 N/A LEU 326.A N LYS 517.A O no hydrogen 2.959 N/A LEU 327.A N ALA 318.A O no hydrogen 2.665 N/A ALA 328.A N ALA 318.A O no hydrogen 3.399 N/A LEU 329.A N GLN 302.A OE1 no hydrogen 2.773 N/A ALA 330.A N THR 316.A O no hydrogen 2.843 N/A SER 331.A OG ILE 361.A O no hydrogen 3.258 N/A SER 332.A N GLY 314.A O no hydrogen 2.840 N/A SER 332.A OG LYS 312.A O no hydrogen 2.659 N/A SER 334.A OG GLU 219.A O no hydrogen 2.471 N/A SER 334.A OG GLN 223.A OE1 no hydrogen 3.180 N/A SER 334.A OG TYR 335.A O no hydrogen 3.479 N/A ASP 336.A N TYR 352.A OH no hydrogen 3.151 N/A ASN 338.A ND2 TYR 215.A O no hydrogen 2.990 N/A LYS 339.A N ASP 336.A O no hydrogen 3.264 N/A LYS 339.A N ASP 336.A OD1 no hydrogen 3.184 N/A LYS 339.A NZ ASP 336.A OD1 no hydrogen 3.256 N/A LYS 339.A NZ ASP 336.A OD2 no hydrogen 2.572 N/A MET 340.A N ASP 336.A O no hydrogen 3.066 N/A THR 341.A N PRO 337.A O no hydrogen 2.964 N/A THR 341.A OG1 VAL 228.A O no hydrogen 2.774 N/A ASN 342.A N ASN 338.A O no hydrogen 3.196 N/A SER 345.A OG ASP 348.A OD1 no hydrogen 2.482 N/A ASP 348.A N SER 345.A O no hydrogen 3.081 N/A ASP 348.A N SER 345.A OG no hydrogen 2.950 N/A TYR 349.A N SER 345.A O no hydrogen 2.977 N/A TYR 352.A N ASP 348.A O no hydrogen 2.998 N/A GLU 353.A N TYR 349.A O no hydrogen 2.972 N/A GLU 354.A N LYS 350.A O no hydrogen 2.551 N/A ASN 355.A N ALA 351.A O no hydrogen 3.292 N/A GLU 357.A N ASN 355.A OD1 no hydrogen 2.951 N/A GLN 358.A N ASN 355.A O no hydrogen 3.012 N/A ILE 361.A N GLN 358.A O no hydrogen 3.270 N/A ARG 363.A N SER 331.A OG no hydrogen 2.849 N/A ARG 363.A NE GLU 598.A OE1 no hydrogen 2.691 N/A ARG 363.A NH1 GLU 357.A O no hydrogen 3.065 N/A ARG 363.A NH1 GLN 358.A O no hydrogen 3.287 N/A ARG 363.A NH2 GLU 357.A O no hydrogen 2.761 N/A ARG 363.A NH2 GLU 598.A OE1 no hydrogen 2.960 N/A ALA 365.A N SER 362.A O no hydrogen 3.023 N/A THR 366.A N ARG 363.A O no hydrogen 3.223 N/A THR 366.A OG1 SER 362.A O no hydrogen 2.451 N/A TYR 368.A N ILE 495.A O no hydrogen 3.128 N/A GLY 371.A N GLY 489.A O no hydrogen 2.872 N/A SER 372.A N THR 570.A O no hydrogen 3.096 N/A THR 373.A OG1 LYS 567.A O no hydrogen 3.555 N/A PHE 374.A N GLY 371.A O no hydrogen 2.852 N/A LYS 375.A N SER 372.A O no hydrogen 3.140 N/A LYS 375.A NZ SER 372.A O no hydrogen 3.015 N/A LYS 375.A NZ SER 430.A OG no hydrogen 3.026 N/A MET 376.A N THR 373.A O no hydrogen 3.220 N/A ILE 377.A N PHE 374.A O no hydrogen 2.723 N/A THR 378.A N PHE 374.A O no hydrogen 3.092 N/A THR 378.A OG1 GLY 487.A O no hydrogen 2.685 N/A ALA 379.A N LYS 375.A O no hydrogen 2.706 N/A ALA 380.A N MET 376.A O no hydrogen 3.230 N/A ILE 381.A N ILE 377.A O no hydrogen 3.041 N/A GLY 382.A N THR 378.A O no hydrogen 3.061 N/A LEU 383.A N ALA 379.A O no hydrogen 2.883 N/A ASP 384.A N ALA 380.A O no hydrogen 3.091 N/A ASN 385.A N ILE 381.A O no hydrogen 3.016 N/A THR 387.A N ASN 385.A OD1 no hydrogen 3.143 N/A THR 387.A OG1 ASN 385.A OD1 no hydrogen 2.695 N/A ILE 388.A N GLY 382.A O no hydrogen 3.112 N/A ASN 391.A N ASP 389.A OD1 no hydrogen 3.155 N/A GLU 392.A N ASP 389.A O no hydrogen 2.955 N/A LEU 394.A N VAL 421.A O no hydrogen 2.798 N/A ILE 396.A N SER 419.A O no hydrogen 3.040 N/A TRP 401.A N VAL 412.A O no hydrogen 2.897 N/A GLN 402.A NE2 GLY 408.A O no hydrogen 2.738 N/A GLN 402.A NE2 TYR 410.A O no hydrogen 2.634 N/A SER 406.A N ASP 404.A OD1 no hydrogen 2.821 N/A SER 406.A OG ASP 404.A OD1 no hydrogen 2.483 N/A TRP 407.A N ASP 404.A O no hydrogen 3.075 N/A GLY 408.A N SER 405.A O no hydrogen 2.898 N/A TYR 410.A N TRP 407.A O no hydrogen 3.028 N/A TYR 410.A OH ASP 485.A OD1 no hydrogen 2.266 N/A VAL 412.A N TRP 401.A O no hydrogen 2.697 N/A ARG 414.A N LEU 399.A O no hydrogen 2.909 N/A ARG 414.A NE GLY 398.A O no hydrogen 2.923 N/A ARG 414.A NH1 VAL 418.A O no hydrogen 3.028 N/A ARG 414.A NH1 ASP 431.A OD1 no hydrogen 2.576 N/A ARG 414.A NH2 GLY 398.A O no hydrogen 2.915 N/A ARG 414.A NH2 VAL 418.A O no hydrogen 3.435 N/A SER 419.A OG ILE 396.A O no hydrogen 2.851 N/A SER 419.A OG ASN 397.A OD1 no hydrogen 2.887 N/A GLN 420.A NE2 THR 395.A OG1 no hydrogen 3.068 N/A VAL 421.A N LEU 394.A O no hydrogen 2.830 N/A THR 425.A N ASP 422.A OD1 no hydrogen 2.957 N/A THR 425.A OG1 ASP 422.A OD1 no hydrogen 2.708 N/A ALA 426.A N ASP 422.A O no hydrogen 2.844 N/A LEU 427.A N LEU 423.A O no hydrogen 2.927 N/A ILE 428.A N LYS 424.A O no hydrogen 2.917 N/A TYR 429.A N.A THR 425.A O no hydrogen 2.953 N/A TYR 429.A N.B THR 425.A O no hydrogen 2.956 N/A ASP 431.A N ALA 426.A O no hydrogen 2.892 N/A ASN 432.A ND2 THR 413.A O no hydrogen 3.150 N/A TYR 434.A N ASP 431.A OD2 no hydrogen 2.910 N/A ALA 435.A N ASP 431.A O no hydrogen 3.491 N/A ALA 436.A N ASN 432.A O no hydrogen 2.844 N/A GLN 437.A N ILE 433.A O no hydrogen 2.898 N/A GLU 438.A N TYR 434.A O no hydrogen 2.973 N/A THR 439.A N ALA 435.A O no hydrogen 2.939 N/A THR 439.A OG1 ALA 435.A O no hydrogen 2.749 N/A LEU 440.A N ALA 436.A O no hydrogen 3.056 N/A LYS 441.A N GLN 437.A O no hydrogen 2.930 N/A LYS 441.A NZ GLU 438.A OE1 no hydrogen 2.708 N/A LYS 441.A NZ GLU 438.A OE2 no hydrogen 3.436 N/A MET 442.A N GLU 438.A O no hydrogen 2.659 N/A GLY 443.A N THR 439.A O no hydrogen 3.057 N/A PHE 447.A N GLY 443.A O no hydrogen 3.035 N/A ARG 448.A N GLU 444.A O no hydrogen 2.755 N/A ARG 448.A NE GLU 444.A OE2 no hydrogen 2.847 N/A ARG 448.A NH2 SER 472.A OG no hydrogen 2.730 N/A THR 449.A N LYS 445.A O no hydrogen 2.940 N/A THR 449.A OG1 LYS 445.A O no hydrogen 3.015 N/A GLY 450.A N LYS 446.A O no hydrogen 2.997 N/A LEU 451.A N PHE 447.A O no hydrogen 2.904 N/A ASP 452.A N ARG 448.A O no hydrogen 2.788 N/A LYS 453.A N GLY 450.A O no hydrogen 3.277 N/A PHE 454.A N LEU 451.A O no hydrogen 2.941 N/A GLY 457.A N ALA 469.A O no hydrogen 2.953 N/A GLU 458.A N ILE 455.A O no hydrogen 3.286 N/A LEU 462.A N LEU 460.A O no hydrogen 2.659 N/A GLN 470.A N LEU 494.A O no hydrogen 2.889 N/A GLN 470.A NE2 ASN 473.A OD1 no hydrogen 2.867 N/A GLN 470.A NE2 GLU 492.A O no hydrogen 2.842 N/A SER 472.A OG GLU 474.A O no hydrogen 3.056 N/A ASN 473.A N GLU 492.A OE1 no hydrogen 2.917 N/A PHE 477.A N GLU 444.A OE2 no hydrogen 2.762 N/A LEU 482.A N SER 479.A OG no hydrogen 3.271 N/A LEU 483.A N SER 479.A O no hydrogen 3.100 N/A ALA 484.A N ASP 480.A O no hydrogen 2.986 N/A ASP 485.A N ILE 481.A O no hydrogen 2.839 N/A THR 486.A N LEU 482.A O no hydrogen 2.921 N/A THR 486.A OG1 LEU 482.A O no hydrogen 2.489 N/A GLY 487.A N LEU 483.A O no hydrogen 3.096 N/A TYR 488.A OH TYR 410.A OH no hydrogen 2.703 N/A TYR 488.A OH ASP 485.A OD1 no hydrogen 2.819 N/A GLY 489.A N THR 486.A O no hydrogen 2.967 N/A GLN 490.A N ASP 485.A O no hydrogen 2.850 N/A LEU 493.A N GLN 490.A O no hydrogen 3.430 N/A LEU 494.A N GLN 470.A O no hydrogen 3.106 N/A ILE 495.A N TYR 368.A O no hydrogen 2.891 N/A ASN 496.A N GLN 499.A OE1 no hydrogen 2.839 N/A ILE 498.A N PHE 364.A O no hydrogen 3.454 N/A GLN 499.A N ASN 496.A OD1 no hydrogen 2.821 N/A GLN 499.A NE2 ASN 467.A O no hydrogen 2.693 N/A GLN 500.A N ASN 496.A O no hydrogen 2.762 N/A GLN 500.A NE2 ILE 495.A O no hydrogen 3.002 N/A ALA 501.A N PRO 497.A O no hydrogen 2.911 N/A ALA 502.A N ILE 498.A O no hydrogen 2.900 N/A MET 503.A N GLN 499.A O no hydrogen 3.007 N/A TYR 504.A N GLN 500.A O no hydrogen 2.883 N/A SER 505.A N ALA 501.A O no hydrogen 3.076 N/A SER 505.A N ALA 502.A O no hydrogen 3.215 N/A SER 505.A OG ALA 502.A O no hydrogen 2.473 N/A SER 505.A OG VAL 514.A O no hydrogen 3.535 N/A VAL 506.A N MET 503.A O no hydrogen 3.434 N/A PHE 507.A N TYR 504.A O no hydrogen 3.156 N/A ALA 508.A N SER 505.A O no hydrogen 3.126 N/A ASN 509.A N VAL 506.A O no hydrogen 3.417 N/A ASN 509.A ND2 PRO 321.A O no hydrogen 2.863 N/A ASN 509.A ND2 SER 505.A O no hydrogen 2.770 N/A ASN 510.A ND2 GLU 533.A OE1 no hydrogen 2.271 N/A GLY 511.A N VAL 506.A O no hydrogen 2.958 N/A THR 512.A N ASN 509.A O no hydrogen 3.113 N/A LEU 513.A N LYS 527.A O no hydrogen 2.825 N/A VAL 514.A N SER 505.A OG no hydrogen 3.032 N/A TYR 515.A N LYS 525.A O no hydrogen 2.937 N/A TYR 515.A OH GLU 458.A OE1 no hydrogen 2.814 N/A LYS 517.A N GLY 324.A O no hydrogen 2.788 N/A LYS 517.A NZ LYS 522.A O no hydrogen 2.934 N/A ALA 520.A N LYS 294.A O no hydrogen 3.043 N/A LYS 522.A N ILE 519.A O no hydrogen 3.248 N/A LYS 522.A NZ ASP 461.A O no hydrogen 3.401 N/A THR 524.A OG1 THR 323.A O no hydrogen 3.119 N/A LYS 527.A N LEU 513.A O no hydrogen 2.792 N/A LYS 527.A NZ LYS 453.A O no hydrogen 2.738 N/A VAL 530.A N GLY 511.A O no hydrogen 2.927 N/A ILE 531.A N GLY 511.A O no hydrogen 3.400 N/A GLY 532.A N ASP 384.A OD1 no hydrogen 2.813 N/A LEU 536.A N GLY 532.A O no hydrogen 3.066 N/A GLN 537.A N GLU 533.A O no hydrogen 3.043 N/A GLN 537.A NE2 GLU 533.A O no hydrogen 3.301 N/A THR 538.A N THR 534.A O no hydrogen 3.305 N/A THR 538.A N ALA 535.A O no hydrogen 3.195 N/A THR 538.A OG1 THR 534.A O no hydrogen 3.475 N/A ILE 539.A N ALA 535.A O no hydrogen 3.055 N/A VAL 540.A N LEU 536.A O no hydrogen 3.181 N/A LEU 543.A N ILE 539.A O no hydrogen 2.960 N/A ARG 544.A N VAL 540.A O no hydrogen 2.943 N/A ARG 544.A NH1 ASP 587.A OD1 no hydrogen 2.958 N/A ARG 544.A NH2 ASP 587.A OD1 no hydrogen 2.737 N/A GLU 545.A N PRO 541.A O no hydrogen 3.215 N/A VAL 546.A N ASP 542.A O no hydrogen 2.997 N/A VAL 547.A N ARG 544.A O no hydrogen 3.198 N/A GLN 548.A N ARG 544.A O no hydrogen 2.971 N/A ASP 549.A N GLU 545.A O no hydrogen 2.811 N/A ASN 551.A N ASP 549.A OD1 no hydrogen 2.739 N/A GLY 552.A N ASP 549.A O no hydrogen 2.806 N/A THR 553.A N ILE 428.A O no hydrogen 3.095 N/A THR 553.A OG1 THR 568.A OG1 no hydrogen 2.910 N/A ALA 554.A N VAL 546.A O no hydrogen 3.075 N/A HIS 555.A N GLY 552.A O no hydrogen 2.861 N/A HIS 555.A ND1 VAL 547.A O no hydrogen 2.861 N/A LEU 557.A N ALA 554.A O no hydrogen 2.998 N/A SER 558.A N HIS 555.A O no hydrogen 2.937 N/A LEU 560.A N LEU 557.A O no hydrogen 3.121 N/A GLY 561.A N SER 558.A O no hydrogen 3.267 N/A ALA 565.A N PHE 584.A O no hydrogen 3.029 N/A ALA 566.A N LEU 543.A O no hydrogen 3.075 N/A LYS 567.A N PHE 582.A O no hydrogen 2.891 N/A LYS 567.A NZ SER 430.A OG no hydrogen 3.179 N/A LYS 567.A NZ THR 568.A O no hydrogen 2.874 N/A THR 568.A OG1 THR 553.A OG1 no hydrogen 2.910 N/A GLY 569.A N PHE 580.A O no hydrogen 3.011 N/A THR 570.A N SER 372.A OG no hydrogen 2.976 N/A ALA 571.A N ASN 578.A O no hydrogen 2.982 N/A ILE 573.A N LYS 576.A O no hydrogen 2.841 N/A LYS 576.A N ILE 573.A O no hydrogen 3.249 N/A ASN 578.A N ALA 571.A O no hydrogen 2.775 N/A SER 579.A N LEU 597.A O no hydrogen 2.956 N/A PHE 580.A N GLY 569.A O no hydrogen 2.823 N/A LEU 581.A N SER 595.A O no hydrogen 2.840 N/A PHE 582.A N LYS 567.A O no hydrogen 2.845 N/A ALA 583.A N MET 593.A O no hydrogen 3.043 N/A PHE 584.A N ALA 565.A O no hydrogen 3.057 N/A ASN 585.A N TYR 591.A O no hydrogen 3.404 N/A ASN 585.A ND2 ASN 618.A OD1 no hydrogen 3.372 N/A ASP 587.A N ASN 585.A OD1 no hydrogen 2.807 N/A ASN 588.A N ASN 585.A OD1 no hydrogen 3.164 N/A GLN 589.A N ASN 585.A O no hydrogen 2.817 N/A GLY 590.A N ASN 588.A OD1 no hydrogen 2.731 N/A MET 592.A N THR 319.A O no hydrogen 2.878 N/A MET 593.A N ALA 583.A O no hydrogen 2.725 N/A VAL 594.A N VAL 317.A O no hydrogen 2.846 N/A SER 595.A N LEU 581.A O no hydrogen 2.806 N/A SER 595.A OG THR 316.A OG1 no hydrogen 3.060 N/A MET 596.A N SER 315.A O no hydrogen 2.812 N/A LEU 597.A N SER 579.A O no hydrogen 2.778 N/A GLU 598.A N ALA 313.A O no hydrogen 2.737 N/A ASN 599.A N ASN 578.A OD1 no hydrogen 2.794 N/A LYS 600.A N GLU 577.A O no hydrogen 2.764 N/A LYS 600.A NZ ASP 604.A O no hydrogen 3.490 N/A ASP 604.A N GLU 601.A O no hydrogen 3.058 N/A SER 605.A N ASP 604.A OD1 no hydrogen 3.066 N/A ALA 606.A N SER 579.A OG no hydrogen 2.765 N/A LYS 608.A N SER 605.A OG no hydrogen 2.763 N/A ARG 609.A N ALA 606.A O no hydrogen 3.103 N/A ARG 609.A NE ASP 604.A OD1 no hydrogen 3.033 N/A ARG 609.A NE ASP 604.A OD2 no hydrogen 3.425 N/A ARG 609.A NH1 SER 308.A O no hydrogen 3.105 N/A ARG 609.A NH2 ASP 604.A OD1 no hydrogen 3.299 N/A ARG 609.A NH2 ASP 604.A OD2 no hydrogen 2.972 N/A ALA 610.A N THR 607.A O no hydrogen 3.185 N/A LEU 614.A N ALA 610.A O no hydrogen 2.999 N/A GLN 615.A N SER 611.A O no hydrogen 2.877 N/A TYR 616.A N GLU 612.A O no hydrogen 3.088 N/A TYR 616.A OH ASP 298.A OD1 no hydrogen 3.392 N/A TYR 616.A OH ASP 298.A OD2 no hydrogen 2.631 N/A LEU 617.A N LEU 613.A O no hydrogen 2.821 N/A ASN 618.A N LEU 614.A O no hydrogen 2.865 N/A GLN 619.A N GLN 615.A O no hydrogen 3.174 N/A ASN 620.A N TYR 616.A O no hydrogen 3.138 N/A ASN 620.A ND2 TYR 616.A O no hydrogen 2.963 N/A TYR 621.A N LEU 617.A O no hydrogen 2.955 N/A TYR 621.A OH ASP 298.A OD2 no hydrogen 2.708 N/A