Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3koo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N GLU 176.A O no hydrogen 2.870 N/A ALA 3.A N THR 115.A O no hydrogen 2.996 N/A VAL 4.A N VAL 178.A O no hydrogen 2.909 N/A PHE 5.A N ALA 117.A O no hydrogen 2.803 N/A LEU 7.A N ASP 6.A OD1 no hydrogen 2.904 N/A GLY 9.A N ALA 12.A O no hydrogen 3.048 N/A VAL 10.A N LEU 7.A O no hydrogen 2.979 N/A LEU 11.A N ASP 6.A O no hydrogen 3.396 N/A LEU 11.A N LEU 7.A O no hydrogen 3.073 N/A ALA 12.A N LEU 7.A O no hydrogen 3.237 N/A LEU 13.A N LYS 97.A O no hydrogen 3.088 N/A VAL 16.A N ASP 8.A OD2 no hydrogen 3.105 N/A GLY 18.A N ALA 15.A O no hydrogen 2.613 N/A VAL 19.A N ALA 15.A O no hydrogen 3.085 N/A ARG 22.A N GLY 18.A O no hydrogen 3.386 N/A THR 23.A N VAL 19.A O no hydrogen 2.942 N/A THR 23.A OG1 VAL 19.A O no hydrogen 2.727 N/A GLU 24.A N LEU 20.A O no hydrogen 2.914 N/A GLU 25.A N GLY 21.A O no hydrogen 2.874 N/A ALA 26.A N ARG 22.A O no hydrogen 3.088 N/A LEU 27.A N THR 23.A O no hydrogen 2.582 N/A ALA 28.A N GLU 25.A O no hydrogen 2.695 N/A LEU 29.A N GLU 24.A O no hydrogen 2.658 N/A ARG 31.A NH1 GLU 25.A OE1 no hydrogen 3.203 N/A GLY 32.A N GLU 24.A OE1 no hydrogen 2.470 N/A LEU 33.A N PRO 30.A O no hydrogen 2.833 N/A LEU 34.A N GLU 24.A OE2 no hydrogen 2.929 N/A ASP 36.A N GLY 32.A O no hydrogen 2.894 N/A ALA 37.A N LEU 33.A O no hydrogen 2.906 N/A GLN 39.A N ASP 36.A O no hydrogen 3.316 N/A GLU 44.A N GLY 41.A O no hydrogen 3.240 N/A GLY 45.A N GLY 42.A O no hydrogen 2.982 N/A THR 47.A OG1 PHE 38.A O no hydrogen 2.289 N/A THR 48.A OG1 GLY 42.A O no hydrogen 3.549 N/A ARG 49.A N GLY 45.A O no hydrogen 2.981 N/A ARG 49.A NE GLU 54.A OE2 no hydrogen 3.102 N/A ARG 49.A NH2 GLU 54.A OE2 no hydrogen 2.972 N/A LEU 50.A N ALA 46.A O no hydrogen 2.897 N/A LEU 50.A N THR 47.A O no hydrogen 2.706 N/A MET 51.A N THR 47.A O no hydrogen 2.848 N/A LYS 52.A N THR 48.A O no hydrogen 2.914 N/A LYS 52.A NZ GLU 159.A OE1 no hydrogen 2.589 N/A LYS 52.A NZ GLU 159.A OE2 no hydrogen 3.291 N/A GLY 53.A N LEU 50.A O no hydrogen 3.094 N/A GLU 54.A N ARG 49.A O no hydrogen 2.883 N/A THR 56.A N GLN 59.A OE1 no hydrogen 3.189 N/A THR 56.A OG1 ASP 126.A OD1 no hydrogen 3.214 N/A THR 56.A OG1 ASP 126.A OD2 no hydrogen 2.899 N/A LEU 57.A N LEU 124.A O no hydrogen 2.879 N/A SER 58.A N ASP 126.A OD1 no hydrogen 2.998 N/A SER 58.A OG ASP 126.A OD1 no hydrogen 2.847 N/A GLN 59.A N THR 56.A OG1 no hydrogen 2.975 N/A TRP 60.A N LEU 57.A O no hydrogen 2.766 N/A TRP 60.A NE1 THR 47.A OG1 no hydrogen 3.099 N/A ILE 61.A N LEU 57.A O no hydrogen 3.123 N/A MET 64.A N TRP 60.A O no hydrogen 2.697 N/A MET 64.A N ILE 61.A O no hydrogen 2.651 N/A GLU 65.A N ILE 61.A O no hydrogen 2.782 N/A GLU 66.A N PRO 62.A O no hydrogen 3.212 N/A ASN 67.A ND2 ALA 37.A O no hydrogen 2.736 N/A CYS 68.A N GLU 65.A O no hydrogen 2.431 N/A CYS 68.A SG MET 64.A O no hydrogen 3.676 N/A ARG 69.A N GLU 65.A O no hydrogen 3.071 N/A LYS 70.A N GLU 66.A O no hydrogen 2.997 N/A LYS 70.A NZ GLU 73.A OE1 no hydrogen 2.594 N/A LYS 70.A NZ GLU 73.A OE2 no hydrogen 2.672 N/A CYS 71.A N ASN 67.A O no hydrogen 2.685 N/A CYS 71.A SG ASP 36.A OD1 no hydrogen 3.278 N/A SER 72.A N CYS 68.A O no hydrogen 2.898 N/A SER 72.A OG ARG 69.A O no hydrogen 3.344 N/A SER 72.A OG VAL 77.A O no hydrogen 3.212 N/A GLU 73.A N LYS 70.A O no hydrogen 2.903 N/A THR 74.A N LYS 70.A O no hydrogen 2.903 N/A THR 74.A OG1 LYS 70.A O no hydrogen 3.263 N/A ALA 75.A N CYS 71.A O no hydrogen 3.480 N/A LYS 76.A N GLU 73.A O no hydrogen 3.014 N/A VAL 77.A N SER 72.A O no hydrogen 2.660 N/A PHE 83.A N PRO 80.A O no hydrogen 3.253 N/A LYS 86.A NZ GLU 129.A OE2 no hydrogen 3.201 N/A GLU 87.A N SER 84.A OG no hydrogen 3.157 N/A ILE 88.A N SER 84.A O no hydrogen 3.470 N/A PHE 89.A N ILE 85.A O no hydrogen 3.188 N/A ASP 90.A N LYS 86.A O no hydrogen 2.991 N/A LYS 91.A N GLU 87.A O no hydrogen 3.279 N/A ALA 92.A N ILE 88.A O no hydrogen 3.391 N/A ILE 93.A N PHE 89.A O no hydrogen 2.867 N/A SER 94.A N ASP 90.A O no hydrogen 3.066 N/A SER 94.A OG ASP 90.A O no hydrogen 3.498 N/A ALA 95.A N ALA 92.A O no hydrogen 2.703 N/A ARG 96.A N ILE 93.A O no hydrogen 3.201 N/A ASN 99.A N LEU 11.A O no hydrogen 2.481 N/A ASN 99.A ND2 VAL 10.A O no hydrogen 2.902 N/A ASN 99.A ND2 THR 203.A OG1 no hydrogen 2.821 N/A ARG 100.A NH1 GLU 139.A OE1 no hydrogen 3.540 N/A ARG 100.A NH2 GLU 139.A OE1 no hydrogen 3.229 N/A LEU 103.A N ASN 99.A O no hydrogen 3.032 N/A GLN 104.A N ARG 100.A O no hydrogen 2.756 N/A ALA 105.A N PRO 101.A O no hydrogen 2.964 N/A ALA 106.A N MET 102.A O no hydrogen 3.074 N/A LEU 107.A N LEU 103.A O no hydrogen 2.912 N/A MET 108.A N GLN 104.A O no hydrogen 2.989 N/A LEU 109.A N ALA 105.A O no hydrogen 2.924 N/A ARG 110.A N ALA 106.A O no hydrogen 2.884 N/A ARG 110.A NE ASP 145.A OD1 no hydrogen 2.918 N/A LYS 111.A N LEU 107.A O no hydrogen 2.859 N/A LYS 112.A N MET 108.A O no hydrogen 2.620 N/A GLY 113.A N ARG 110.A O no hydrogen 2.620 N/A PHE 114.A N LEU 109.A O no hydrogen 2.906 N/A THR 116.A N ASP 145.A OD1 no hydrogen 3.174 N/A THR 116.A OG1 ASP 145.A OD1 no hydrogen 3.268 N/A ALA 117.A N ALA 3.A O no hydrogen 3.212 N/A ILE 118.A N PHE 146.A O no hydrogen 3.045 N/A LEU 119.A N PHE 5.A O no hydrogen 3.133 N/A THR 120.A N ILE 148.A O no hydrogen 2.974 N/A ASN 121.A ND2 LYS 157.A O no hydrogen 2.893 N/A THR 122.A N SER 150.A OG no hydrogen 2.626 N/A THR 122.A OG1 TRP 123.A O no hydrogen 3.507 N/A ARG 127.A N ASP 125.A OD1 no hydrogen 3.063 N/A ARG 127.A NE ASP 125.A OD1 no hydrogen 3.087 N/A ARG 127.A NE ASP 125.A OD2 no hydrogen 2.809 N/A ARG 127.A NH1 ASP 90.A OD1 no hydrogen 3.076 N/A ARG 127.A NH2 ASP 125.A OD2 no hydrogen 3.540 N/A ARG 130.A NH1 ARG 127.A O no hydrogen 2.634 N/A GLY 132.A N GLU 129.A O no hydrogen 3.138 N/A LEU 133.A N ARG 130.A O no hydrogen 2.813 N/A ALA 134.A N ARG 130.A O no hydrogen 3.185 N/A GLN 135.A N ASP 131.A O no hydrogen 2.685 N/A MET 137.A N LEU 133.A O no hydrogen 2.850 N/A CYS 138.A N ALA 134.A O no hydrogen 3.109 N/A CYS 138.A SG ALA 134.A O no hydrogen 3.365 N/A GLU 139.A N GLN 135.A O no hydrogen 3.372 N/A LEU 140.A N LEU 136.A O no hydrogen 3.214 N/A LYS 141.A N MET 137.A O no hydrogen 3.200 N/A HIS 143.A N LEU 140.A O no hydrogen 2.753 N/A PHE 144.A N LYS 141.A O no hydrogen 3.147 N/A ASP 145.A N THR 116.A O no hydrogen 3.237 N/A ILE 148.A N ILE 118.A O no hydrogen 2.760 N/A SER 150.A N THR 120.A O no hydrogen 3.029 N/A SER 150.A OG MET 51.A O no hydrogen 2.897 N/A SER 150.A OG THR 122.A O no hydrogen 3.153 N/A CYS 151.A SG THR 122.A O no hydrogen 3.124 N/A CYS 151.A SG GLU 149.A OE2 no hydrogen 3.775 N/A GLN 152.A N GLU 149.A O no hydrogen 3.058 N/A VAL 153.A N GLU 149.A O no hydrogen 3.339 N/A GLY 154.A N SER 150.A O no hydrogen 3.079 N/A VAL 156.A N GLU 159.A OE2 no hydrogen 3.096 N/A LYS 157.A N ASN 121.A OD1 no hydrogen 2.889 N/A LYS 157.A NZ ASP 181.A OD2 no hydrogen 2.732 N/A GLU 159.A N VAL 156.A O no hydrogen 2.752 N/A TYR 163.A OH ASN 186.A O no hydrogen 3.111 N/A LYS 164.A N PRO 160.A O no hydrogen 3.076 N/A PHE 165.A N GLN 161.A O no hydrogen 2.595 N/A LEU 166.A N ILE 162.A O no hydrogen 2.739 N/A LEU 167.A N TYR 163.A O no hydrogen 2.666 N/A ASP 168.A N LYS 164.A O no hydrogen 2.634 N/A THR 169.A N PHE 165.A O no hydrogen 2.756 N/A LEU 170.A N LEU 166.A O no hydrogen 2.707 N/A LYS 171.A N ASP 168.A O no hydrogen 3.234 N/A ALA 172.A N LEU 167.A O no hydrogen 3.421 N/A SER 173.A OG GLU 176.A OE1 no hydrogen 3.279 N/A GLU 176.A N SER 173.A O no hydrogen 2.849 N/A VAL 177.A N PRO 174.A O no hydrogen 3.059 N/A VAL 178.A N ALA 2.A O no hydrogen 2.779 N/A LEU 180.A N VAL 4.A O no hydrogen 3.193 N/A ASP 181.A N ILE 198.A O no hydrogen 3.110 N/A ILE 183.A N ASP 181.A OD1 no hydrogen 3.412 N/A ASN 186.A N ILE 183.A O no hydrogen 2.783 N/A LEU 187.A N ILE 183.A O no hydrogen 3.378 N/A LEU 187.A N GLY 184.A O no hydrogen 2.672 N/A LYS 188.A N GLY 184.A O no hydrogen 3.217 N/A ARG 191.A N LEU 187.A O no hydrogen 2.718 N/A ASP 192.A N LYS 188.A O no hydrogen 2.757 N/A LEU 193.A N ALA 190.A O no hydrogen 2.940 N/A GLY 194.A N ARG 191.A O no hydrogen 2.618 N/A MET 195.A N ALA 190.A O no hydrogen 3.249 N/A VAL 196.A N VAL 177.A O no hydrogen 2.916 N/A ILE 198.A N PHE 179.A O no hydrogen 2.886 N/A VAL 200.A N ASP 181.A O no hydrogen 3.286 N/A THR 205.A N ASP 202.A OD2 no hydrogen 3.064 N/A THR 205.A OG1 ASP 202.A OD1 no hydrogen 2.684 N/A THR 205.A OG1 ASP 202.A OD2 no hydrogen 2.156 N/A LEU 207.A N THR 203.A O no hydrogen 2.861 N/A LYS 208.A N ASP 204.A O no hydrogen 2.920 N/A GLU 209.A N THR 205.A O no hydrogen 2.918 N/A LEU 210.A N ALA 206.A O no hydrogen 3.209 N/A GLU 211.A N LEU 207.A O no hydrogen 2.877 N/A LYS 212.A N LYS 208.A O no hydrogen 2.941 N/A LYS 212.A NZ LYS 208.A O no hydrogen 3.007 N/A VAL 213.A N GLU 209.A O no hydrogen 3.117 N/A THR 214.A N LEU 210.A O no hydrogen 2.909 N/A THR 214.A OG1 LEU 210.A O no hydrogen 3.206 N/A THR 214.A OG1 GLU 211.A O no hydrogen 3.517 N/A GLY 215.A N GLU 211.A O no hydrogen 2.899 N/A LEU 218.A N GLU 211.A OE2 no hydrogen 2.985 N/A LEU 219.A N GLU 211.A OE2 no hydrogen 2.962 N/A CYS 229.A N SER 228.A OG no hydrogen 2.663 N/A CYS 229.A SG ARG 272.A O no hydrogen 3.743 N/A MET 234.A N PRO 231.A O no hydrogen 3.378 N/A HIS 236.A ND1 HIS 248.A NE2 no hydrogen 3.028 N/A HIS 236.A NE2 PRO 231.A O no hydrogen 2.728 N/A GLY 237.A N PHE 249.A O no hydrogen 2.712 N/A TYR 238.A OH GLU 295.A OE2 no hydrogen 2.749 N/A VAL 239.A N LEU 247.A O no hydrogen 3.032 N/A VAL 241.A N VAL 245.A O no hydrogen 2.940 N/A LYS 242.A NZ GLU 304.A OE1 no hydrogen 3.112 N/A LYS 242.A NZ GLU 304.A OE2 no hydrogen 3.412 N/A VAL 245.A N LYS 242.A O no hydrogen 3.332 N/A ARG 246.A N SER 297.A OG no hydrogen 2.764 N/A ARG 246.A NH2 GLU 295.A O no hydrogen 3.381 N/A LEU 247.A N VAL 239.A O no hydrogen 2.787 N/A HIS 248.A N SER 296.A OG no hydrogen 2.758 N/A HIS 248.A ND1 ASP 289.A OD2 no hydrogen 2.563 N/A HIS 248.A NE2 HIS 236.A ND1 no hydrogen 3.028 N/A PHE 249.A N GLY 237.A O no hydrogen 2.825 N/A VAL 250.A N ALA 287.A O no hydrogen 3.022 N/A GLU 251.A N SER 235.A O no hydrogen 3.165 N/A LEU 252.A N VAL 285.A O no hydrogen 3.063 N/A VAL 258.A N ARG 284.A O no hydrogen 2.795 N/A CYS 259.A N VAL 327.A O no hydrogen 2.701 N/A CYS 259.A SG LEU 286.A O no hydrogen 3.896 N/A LEU 260.A N LEU 286.A O no hydrogen 3.186 N/A CYS 261.A N ILE 329.A O no hydrogen 2.707 N/A CYS 261.A SG CYS 259.A O no hydrogen 3.937 N/A HIS 262.A ND1 GLY 263.A O no hydrogen 2.642 N/A PHE 264.A N ASP 332.A OD1 no hydrogen 2.729 N/A TRP 268.A N ASP 289.A OD1 no hydrogen 3.449 N/A TYR 269.A N SER 267.A OG no hydrogen 2.983 N/A SER 270.A N SER 267.A O no hydrogen 2.713 N/A SER 270.A OG GLU 266.A OE2 no hydrogen 2.997 N/A SER 270.A OG TYR 447.A OH no hydrogen 2.898 N/A TRP 271.A N TRP 268.A O no hydrogen 3.154 N/A ARG 272.A N TYR 269.A O no hydrogen 2.865 N/A ARG 272.A NE GLU 443.A OE2 no hydrogen 3.149 N/A ARG 272.A NH1 TYR 269.A O no hydrogen 2.851 N/A ARG 272.A NH1 TYR 447.A OH no hydrogen 3.478 N/A GLN 274.A N TRP 271.A O no hydrogen 2.912 N/A GLN 274.A NE2 ASN 532.A OD1 no hydrogen 3.390 N/A ILE 275.A N TRP 271.A O no hydrogen 3.088 N/A LEU 278.A N GLN 274.A O no hydrogen 3.074 N/A GLN 280.A N PRO 276.A O no hydrogen 2.903 N/A ALA 281.A N ALA 277.A O no hydrogen 2.672 N/A GLY 282.A N ALA 279.A O no hydrogen 2.724 N/A TYR 283.A N LEU 278.A O no hydrogen 2.977 N/A TYR 283.A OH ASP 540.A OD1 no hydrogen 3.060 N/A ARG 284.A N PRO 256.A O no hydrogen 2.944 N/A ARG 284.A NE GLU 251.A OE2 no hydrogen 2.566 N/A ARG 284.A NH2 GLU 251.A OE2 no hydrogen 2.648 N/A VAL 285.A N LEU 252.A O no hydrogen 2.749 N/A LEU 286.A N VAL 258.A O no hydrogen 2.951 N/A ALA 287.A N VAL 250.A O no hydrogen 3.003 N/A MET 288.A N LEU 260.A O no hydrogen 2.972 N/A ASP 289.A N HIS 248.A O no hydrogen 2.828 N/A MET 290.A N HIS 262.A NE2 no hydrogen 3.210 N/A LYS 291.A NZ GLU 304.A O no hydrogen 3.164 N/A LYS 291.A NZ GLU 304.A OE1 no hydrogen 3.180 N/A LYS 291.A NZ GLU 313.A OE1 no hydrogen 3.129 N/A LYS 291.A NZ GLU 313.A OE2 no hydrogen 2.651 N/A GLY 292.A N SER 297.A O no hydrogen 3.095 N/A TYR 293.A N MET 290.A O no hydrogen 2.965 N/A GLU 295.A N ASP 289.A OD2 no hydrogen 3.158 N/A SER 296.A N TYR 293.A O no hydrogen 3.403 N/A SER 296.A OG ASP 289.A O no hydrogen 2.843 N/A SER 297.A N ARG 246.A O no hydrogen 2.847 N/A SER 297.A OG ARG 244.A O no hydrogen 3.358 N/A GLU 304.A N GLU 301.A O no hydrogen 3.392 N/A TYR 305.A OH PRO 299.A O no hydrogen 2.922 N/A CYS 306.A SG GLU 303.A O no hydrogen 3.337 N/A MET 307.A N ASN 469.A OD1 no hydrogen 2.751 N/A LEU 310.A N CYS 306.A O no hydrogen 3.024 N/A CYS 311.A N MET 307.A O no hydrogen 2.713 N/A CYS 311.A SG LEU 337.A O no hydrogen 3.968 N/A LYS 312.A N GLU 308.A O no hydrogen 2.813 N/A LYS 312.A NZ LYS 312.A O no hydrogen 3.207 N/A GLU 313.A N VAL 309.A O no hydrogen 2.807 N/A MET 314.A N CYS 311.A O no hydrogen 2.758 N/A VAL 315.A N CYS 311.A O no hydrogen 2.920 N/A THR 316.A N LYS 312.A O no hydrogen 3.208 N/A THR 316.A OG1 LYS 312.A O no hydrogen 2.796 N/A PHE 317.A N GLU 313.A O no hydrogen 2.846 N/A LEU 318.A N MET 314.A O no hydrogen 2.801 N/A ASP 319.A N VAL 315.A O no hydrogen 2.783 N/A LYS 320.A N THR 316.A O no hydrogen 3.319 N/A LYS 320.A NZ THR 240.A O no hydrogen 2.796 N/A LEU 321.A N LEU 318.A O no hydrogen 3.308 N/A GLY 322.A N ASP 319.A O no hydrogen 3.306 N/A LEU 323.A N LEU 318.A O no hydrogen 3.106 N/A GLN 325.A NE2 GLU 347.A O no hydrogen 2.792 N/A ALA 326.A N ARG 348.A O no hydrogen 3.125 N/A VAL 327.A N ALA 257.A O no hydrogen 2.848 N/A PHE 328.A N ALA 351.A O no hydrogen 2.813 N/A ILE 329.A N CYS 259.A O no hydrogen 2.903 N/A GLY 330.A N ALA 353.A O no hydrogen 2.891 N/A HIS 331.A N CYS 261.A O no hydrogen 2.901 N/A HIS 331.A NE2 HIS 521.A O no hydrogen 2.795 N/A GLY 334.A N HIS 331.A O no hydrogen 2.775 N/A GLY 335.A N ASP 332.A O no hydrogen 2.868 N/A MET 336.A N ASP 332.A O no hydrogen 3.302 N/A LEU 337.A N TRP 333.A O no hydrogen 3.174 N/A VAL 338.A N GLY 334.A O no hydrogen 2.962 N/A TRP 339.A N MET 336.A O no hydrogen 2.783 N/A TRP 339.A NE1 THR 357.A O no hydrogen 3.340 N/A TYR 340.A N MET 336.A O no hydrogen 3.176 N/A MET 341.A N LEU 337.A O no hydrogen 2.922 N/A ALA 342.A N VAL 338.A O no hydrogen 3.016 N/A LEU 343.A N TYR 340.A O no hydrogen 3.052 N/A TYR 345.A N MET 341.A O no hydrogen 2.949 N/A GLU 347.A N GLU 347.A OE1 no hydrogen 3.063 N/A ARG 348.A N TYR 345.A O no hydrogen 2.694 N/A ARG 348.A NH2 ASP 319.A OD1 no hydrogen 2.272 N/A VAL 349.A N PRO 346.A O no hydrogen 3.004 N/A ARG 350.A N ALA 326.A O no hydrogen 3.061 N/A VAL 352.A N PRO 484.A O no hydrogen 3.095 N/A ALA 353.A N PHE 328.A O no hydrogen 2.733 N/A SER 354.A N LEU 486.A O no hydrogen 3.136 N/A SER 354.A OG THR 357.A O no hydrogen 2.504 N/A LEU 355.A N GLY 330.A O no hydrogen 2.930 N/A ASN 356.A N VAL 488.A O no hydrogen 2.784 N/A ASN 356.A ND2 ASP 493.A OD2 no hydrogen 3.092 N/A THR 357.A N LEU 355.A O no hydrogen 2.747 N/A THR 357.A OG1 ASP 332.A O no hydrogen 2.731 N/A THR 357.A OG1 LEU 355.A O no hydrogen 3.376 N/A ASN 365.A N ASN 363.A OD1 no hydrogen 2.677 N/A MET 366.A N ASN 363.A O no hydrogen 3.104 N/A SER 367.A N GLU 370.A OE1 no hydrogen 3.045 N/A SER 371.A N SER 367.A O no hydrogen 3.432 N/A ILE 372.A N LEU 369.A O no hydrogen 2.622 N/A PHE 378.A N ASN 375.A O no hydrogen 2.962 N/A GLN 381.A NE2 TYR 380.A OH no hydrogen 3.368 N/A TYR 383.A N ASP 379.A O no hydrogen 3.329 N/A TYR 383.A OH GLU 393.A OE1 no hydrogen 2.782 N/A PHE 384.A N TYR 380.A O no hydrogen 3.110 N/A PHE 384.A N GLN 381.A O no hydrogen 3.005 N/A GLN 385.A N GLN 381.A O no hydrogen 3.515 N/A GLN 385.A NE2 GLN 381.A O no hydrogen 3.588 N/A GLN 385.A NE2 TYR 463.A O no hydrogen 2.779 N/A GLY 388.A N GLU 391.A OE1 no hydrogen 3.166 N/A GLY 388.A N GLU 391.A OE2 no hydrogen 3.445 N/A VAL 389.A N GLU 386.A O no hydrogen 3.250 N/A GLU 391.A N GLU 391.A OE1 no hydrogen 2.460 N/A ALA 392.A N GLY 388.A O no hydrogen 3.138 N/A LEU 394.A N ALA 390.A O no hydrogen 2.853 N/A LEU 394.A N GLU 391.A O no hydrogen 3.094 N/A GLU 395.A N GLU 391.A O no hydrogen 2.880 N/A GLN 396.A N ALA 392.A O no hydrogen 3.119 N/A ARG 400.A NE PRO 430.A O no hydrogen 2.803 N/A ARG 400.A NH2 PRO 430.A O no hydrogen 3.255 N/A THR 401.A N ASN 397.A O no hydrogen 2.966 N/A THR 401.A OG1 LEU 394.A O no hydrogen 2.836 N/A THR 401.A OG1 ASN 397.A O no hydrogen 2.713 N/A PHE 402.A N LEU 398.A O no hydrogen 3.285 N/A LYS 403.A N SER 399.A O no hydrogen 3.099 N/A LYS 403.A NZ GLU 441.A OE1 no hydrogen 2.716 N/A SER 404.A N ARG 400.A O no hydrogen 2.863 N/A SER 404.A OG ARG 400.A O no hydrogen 2.511 N/A LEU 405.A N THR 401.A O no hydrogen 2.957 N/A PHE 406.A N PHE 402.A O no hydrogen 2.774 N/A ARG 407.A NE LYS 403.A O no hydrogen 2.844 N/A ARG 407.A NH2 GLU 411.A O no hydrogen 2.697 N/A ALA 408.A N GLU 411.A OE1 no hydrogen 2.775 N/A SER 409.A OG ASP 410.A OD2 no hydrogen 3.182 N/A GLU 411.A N ALA 408.A O no hydrogen 3.325 N/A LYS 418.A NZ GLU 421.A OE1 no hydrogen 3.189 N/A CYS 420.A N ASP 379.A OD1 no hydrogen 3.059 N/A CYS 420.A SG ASP 379.A O no hydrogen 3.832 N/A CYS 420.A SG ASP 379.A OD2 no hydrogen 2.913 N/A ALA 422.A N LYS 418.A O no hydrogen 2.839 N/A GLY 423.A N VAL 419.A O no hydrogen 3.144 N/A GLY 423.A N CYS 420.A O no hydrogen 2.963 N/A GLY 424.A N VAL 419.A O no hydrogen 3.345 N/A LEU 425.A N GLU 393.A OE1 no hydrogen 2.799 N/A LEU 425.A N GLU 393.A OE2 no hydrogen 2.809 N/A PHE 426.A N GLU 393.A OE2 no hydrogen 2.895 N/A SER 429.A N PHE 426.A O no hydrogen 3.157 N/A SER 429.A OG PHE 426.A O no hydrogen 3.271 N/A GLU 431.A N GLU 432.A OE1 no hydrogen 2.668 N/A SER 436.A OG GLU 411.A OE1 no hydrogen 3.042 N/A ARG 437.A N GLU 411.A OE2 no hydrogen 3.028 N/A ARG 437.A NH1 ASP 410.A OD1 no hydrogen 2.784 N/A ARG 437.A NH2 ASP 410.A OD1 no hydrogen 3.452 N/A MET 438.A N SER 436.A OG no hydrogen 2.801 N/A GLU 443.A N THR 440.A O no hydrogen 3.260 N/A GLU 443.A N THR 440.A OG1 no hydrogen 3.016 N/A ILE 444.A N THR 440.A O no hydrogen 3.220 N/A GLN 445.A N GLU 441.A O no hydrogen 3.204 N/A TYR 447.A OH SER 270.A OG no hydrogen 2.898 N/A VAL 448.A N ILE 444.A O no hydrogen 3.151 N/A GLN 449.A N GLN 445.A O no hydrogen 2.883 N/A GLN 450.A N PHE 446.A O no hydrogen 3.111 N/A PHE 451.A N TYR 447.A O no hydrogen 3.384 N/A PHE 451.A N VAL 448.A O no hydrogen 3.336 N/A LYS 452.A N GLN 449.A O no hydrogen 3.315 N/A LYS 453.A N GLN 450.A O no hydrogen 3.440 N/A GLY 455.A N PHE 451.A O no hydrogen 2.975 N/A PHE 456.A N GLU 395.A OE2 no hydrogen 2.726 N/A LEU 460.A N PHE 456.A O no hydrogen 3.005 N/A ASN 461.A N GLY 458.A O no hydrogen 2.829 N/A ASN 461.A ND2 PRO 300.A O no hydrogen 2.879 N/A TRP 462.A N PRO 459.A O no hydrogen 3.277 N/A TRP 462.A NE1 LYS 291.A O no hydrogen 3.298 N/A ARG 464.A N ASN 461.A O no hydrogen 2.922 N/A ARG 464.A NE PHE 384.A O no hydrogen 3.322 N/A ARG 464.A NH1 GLU 391.A OE2 no hydrogen 2.250 N/A ARG 464.A NH1 ASN 461.A OD1 no hydrogen 3.000 N/A ARG 464.A NH2 PHE 384.A O no hydrogen 2.846 N/A ARG 464.A NH2 GLU 391.A OE1 no hydrogen 2.737 N/A ARG 464.A NH2 GLU 391.A OE2 no hydrogen 2.642 N/A ASN 465.A ND2 ILE 302.A O no hydrogen 3.249 N/A TRP 470.A N MET 466.A O no hydrogen 2.650 N/A TRP 470.A NE1 ASN 363.A O no hydrogen 2.754 N/A LYS 471.A N GLU 467.A O no hydrogen 3.275 N/A TRP 472.A N ARG 468.A O no hydrogen 2.931 N/A ALA 473.A N ASN 469.A O no hydrogen 2.668 N/A CYS 474.A N TRP 470.A O no hydrogen 2.929 N/A CYS 474.A N LYS 471.A O no hydrogen 3.204 N/A CYS 474.A SG TRP 470.A O no hydrogen 3.529 N/A SER 476.A N ALA 473.A O no hydrogen 3.370 N/A SER 476.A OG ALA 473.A O no hydrogen 3.290 N/A LEU 477.A N CYS 474.A O no hydrogen 2.847 N/A ARG 479.A N SER 476.A O no hydrogen 3.029 N/A ARG 479.A NH1 LEU 343.A O no hydrogen 2.506 N/A LYS 480.A NZ ASP 506.A O no hydrogen 3.305 N/A ILE 481.A N TRP 507.A O no hydrogen 3.245 N/A LEU 486.A N VAL 352.A O no hydrogen 3.226 N/A MET 487.A N LYS 512.A O no hydrogen 2.942 N/A VAL 488.A N SER 354.A O no hydrogen 3.141 N/A THR 489.A N GLY 514.A O no hydrogen 2.792 N/A THR 489.A OG1 GLY 514.A O no hydrogen 3.358 N/A THR 489.A OG1 HIS 515.A ND1 no hydrogen 2.827 N/A GLU 491.A N ILE 516.A O no hydrogen 3.092 N/A LYS 492.A N CYS 519.A O no hydrogen 2.664 N/A LYS 492.A NZ ASP 518.A OD1 no hydrogen 2.742 N/A LEU 496.A N ASP 493.A OD1 no hydrogen 2.981 N/A MET 500.A N VAL 497.A O no hydrogen 3.222 N/A SER 501.A N PRO 498.A O no hydrogen 3.402 N/A SER 501.A OG PRO 498.A O no hydrogen 2.652 N/A GLN 502.A N GLN 499.A O no hydrogen 3.291 N/A MET 504.A N SER 501.A O no hydrogen 2.833 N/A ASP 506.A N HIS 503.A O no hydrogen 3.077 N/A TRP 507.A N MET 504.A O no hydrogen 2.970 N/A ILE 508.A N MET 504.A O no hydrogen 2.897 N/A LEU 511.A N ILE 508.A O no hydrogen 3.049 N/A LYS 512.A N ALA 485.A O no hydrogen 3.092 N/A LYS 512.A NZ SER 541.A OG no hydrogen 3.303 N/A LYS 512.A NZ ASP 542.A OD2 no hydrogen 2.682 N/A GLY 514.A N MET 487.A O no hydrogen 2.818 N/A HIS 515.A ND1 THR 489.A OG1 no hydrogen 2.827 N/A ASP 518.A N GLU 491.A OE1 no hydrogen 2.972 N/A CYS 519.A SG GLY 520.A O no hydrogen 3.481 N/A GLY 520.A N ASP 526.A OD2 no hydrogen 2.796 N/A HIS 521.A ND1 ASP 493.A OD2 no hydrogen 3.050 N/A THR 523.A OG1 ASN 356.A OD1 no hydrogen 2.471 N/A THR 523.A OG1 HIS 521.A O no hydrogen 3.404 N/A GLN 524.A N GLN 524.A OE1 no hydrogen 3.053 N/A ASP 526.A N TRP 522.A O no hydrogen 3.016 N/A LYS 527.A N THR 523.A O no hydrogen 3.216 N/A LYS 527.A NZ ASP 518.A O no hydrogen 3.435 N/A LYS 527.A NZ ASP 526.A O no hydrogen 2.826 N/A VAL 531.A N LYS 527.A O no hydrogen 2.845 N/A ASN 532.A N PRO 528.A O no hydrogen 2.956 N/A GLN 533.A N THR 529.A O no hydrogen 3.034 N/A ILE 534.A N GLU 530.A O no hydrogen 2.977 N/A LEU 535.A N VAL 531.A O no hydrogen 3.106 N/A ILE 536.A N ASN 532.A O no hydrogen 2.941 N/A LYS 537.A N GLN 533.A O no hydrogen 3.126 N/A TRP 538.A N ILE 534.A O no hydrogen 3.236 N/A LEU 539.A N LEU 535.A O no hydrogen 2.888 N/A ASP 540.A N ILE 536.A O no hydrogen 3.051 N/A SER 541.A N LYS 537.A O no hydrogen 2.909 N/A SER 541.A OG ASP 542.A OD2 no hydrogen 2.394 N/A ASP 542.A N TRP 538.A O no hydrogen 2.637 N/A ALA 543.A N LEU 539.A O no hydrogen 2.900 N/A