Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jkm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A OH GLU 341.A OE1 no hydrogen 2.875 N/A THR 10.A N ARG 13.A O no hydrogen 3.123 N/A THR 10.A OG1 SER 12.A OG no hydrogen 3.350 N/A THR 10.A OG1 THR 269.A O no hydrogen 3.013 N/A SER 12.A N THR 10.A OG1 no hydrogen 3.224 N/A SER 12.A OG THR 10.A OG1 no hydrogen 3.350 N/A SER 12.A OG ASP 268.A OD1 no hydrogen 2.561 N/A ARG 13.A N THR 10.A O no hydrogen 3.176 N/A ARG 13.A NE ASP 268.A OD1 no hydrogen 2.983 N/A ARG 13.A NH2 ILE 188.A O no hydrogen 2.949 N/A ARG 13.A NH2 ASP 268.A OD2 no hydrogen 2.800 N/A GLN 14.A N THR 182.A OG1 no hydrogen 3.093 N/A LEU 15.A N GLN 14.A OE1.B no hydrogen 2.503 N/A ILE 16.A N ILE 180.A O no hydrogen 2.569 N/A LEU 18.A N VAL 178.A O no hydrogen 2.953 N/A SER 19.A N ASP 17.A OD1 no hydrogen 2.976 N/A SER 19.A OG ASP 17.A OD1 no hydrogen 2.701 N/A GLY 20.A N VAL 49.A O no hydrogen 2.793 N/A TRP 22.A N MET 47.A O no hydrogen 2.822 N/A TRP 22.A NE1 LEU 18.A O no hydrogen 2.909 N/A LYS 23.A N GLU 72.A O no hydrogen 2.718 N/A PHE 24.A N ILE 45.A O no hydrogen 2.852 N/A LYS 25.A N TRP 70.A O no hydrogen 3.111 N/A LYS 25.A NZ GLU 42.A O no hydrogen 2.860 N/A ASN 27.A N TRP 68.A O no hydrogen 3.151 N/A ASN 27.A ND2 GLU 28.A O no hydrogen 2.859 N/A ASN 27.A ND2 THR 33.A OG1 no hydrogen 3.139 N/A ASN 30.A ND2 VAL 66.A O no hydrogen 2.848 N/A THR 33.A N ASN 27.A OD1 no hydrogen 2.844 N/A LEU 36.A N THR 33.A O no hydrogen 3.185 N/A SER 37.A N GLU 34.A O no hydrogen 3.192 N/A SER 37.A OG GLU 34.A O no hydrogen 2.764 N/A LYS 38.A N GLU 35.A O no hydrogen 3.131 N/A LEU 41.A N GLU 72.A OE1 no hydrogen 3.225 N/A LEU 41.A N GLU 72.A OE2 no hydrogen 3.165 N/A ILE 45.A N PHE 24.A O no hydrogen 2.803 N/A MET 47.A N TRP 22.A O no hydrogen 3.019 N/A VAL 49.A N GLY 20.A O no hydrogen 2.906 N/A SER 51.A N ILE 174.A O no hydrogen 2.784 N/A SER 51.A OG SER 52.A O no hydrogen 2.881 N/A SER 52.A N ASN 307.A O no hydrogen 3.102 N/A SER 52.A OG HIS 175.A NE2 no hydrogen 2.602 N/A SER 52.A OG ASN 307.A O no hydrogen 3.383 N/A TYR 53.A N ALA 172.A O no hydrogen 3.083 N/A ASN 54.A ND2 ARG 63.A O no hydrogen 3.071 N/A LEU 56.A N TYR 53.A O no hydrogen 3.201 N/A SER 59.A N VAL 57.A O no hydrogen 2.856 N/A SER 59.A OG GLU 61.A OE1 no hydrogen 3.274 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.843 N/A VAL 62.A N SER 59.A O no hydrogen 3.216 N/A VAL 62.A N SER 59.A OG no hydrogen 3.271 N/A ARG 63.A N SER 59.A O no hydrogen 3.045 N/A ARG 63.A NE ASP 64.A OD1 no hydrogen 2.842 N/A ARG 63.A NE ASP 64.A OD2 no hydrogen 3.229 N/A ARG 63.A NH2 ASP 64.A OD1 no hydrogen 3.548 N/A ARG 63.A NH2 ASP 64.A OD2 no hydrogen 2.543 N/A ASP 64.A N GLN 60.A O no hydrogen 2.919 N/A HIS 65.A N VAL 62.A O no hydrogen 3.361 N/A HIS 65.A NE2 TRP 68.A O no hydrogen 2.937 N/A GLY 67.A N ASN 137.A OD1 no hydrogen 2.823 N/A VAL 69.A N VAL 135.A O no hydrogen 2.865 N/A TRP 70.A N LYS 25.A O no hydrogen 2.816 N/A TRP 70.A NE1 ASN 27.A OD1 no hydrogen 2.817 N/A TYR 71.A N VAL 133.A O no hydrogen 2.723 N/A GLU 72.A N LYS 23.A O no hydrogen 2.929 N/A ARG 73.A N LEU 131.A O no hydrogen 3.016 N/A ARG 73.A NH1 ASN 74.A O no hydrogen 2.541 N/A ARG 73.A NH2 LEU 18.A O no hydrogen 3.317 N/A PHE 75.A N ASN 129.A O no hydrogen 3.185 N/A THR 76.A OG1 ASP 128.A OD1 no hydrogen 2.704 N/A LEU 81.A N PRO 78.A O no hydrogen 3.102 N/A LEU 82.A N LYS 79.A O no hydrogen 3.079 N/A GLU 84.A N LEU 81.A O no hydrogen 2.929 N/A ARG 85.A N THR 183.A O no hydrogen 2.792 N/A ARG 85.A NE GLU 119.A OE1 no hydrogen 2.753 N/A ARG 85.A NH2 GLU 119.A OE1 no hydrogen 3.329 N/A ILE 86.A N ASN 121.A OD1 no hydrogen 2.518 N/A VAL 87.A N TYR 181.A O no hydrogen 2.922 N/A LEU 88.A N ALA 118.A O no hydrogen 2.874 N/A ARG 89.A N LYS 179.A O no hydrogen 2.599 N/A ARG 89.A NE GLU 117.A OE1 no hydrogen 2.957 N/A ARG 89.A NH1 LEU 5.A O no hydrogen 3.295 N/A ARG 89.A NH2 LEU 5.A O no hydrogen 2.878 N/A ARG 89.A NH2 GLU 117.A OE1 no hydrogen 3.134 N/A PHE 90.A N PHE 116.A O no hydrogen 2.894 N/A GLY 91.A N PRO 177.A O no hydrogen 3.344 N/A THR 94.A N GLY 173.A O no hydrogen 3.130 N/A THR 94.A OG1 TYR 171.A O no hydrogen 3.504 N/A HIS 95.A N ASN 136.A O no hydrogen 2.822 N/A HIS 95.A NE2 ASN 170.A OD1 no hydrogen 2.691 N/A GLU 96.A N ASN 136.A O no hydrogen 3.184 N/A ALA 97.A N HIS 109.A O no hydrogen 2.911 N/A LYS 98.A N ALA 134.A O no hydrogen 2.921 N/A LYS 98.A NZ GLU 108.A OE2 no hydrogen 2.915 N/A VAL 99.A N VAL 107.A O no hydrogen 2.851 N/A TYR 100.A N THR 132.A O no hydrogen 2.641 N/A LEU 101.A N GLU 104.A O no hydrogen 2.855 N/A ASN 102.A N ARG 130.A O no hydrogen 2.778 N/A ASN 102.A ND2 LEU 123.A O no hydrogen 2.933 N/A ASN 102.A ND2 ASN 129.A OD1 no hydrogen 2.719 N/A GLU 104.A N LEU 101.A O no hydrogen 3.026 N/A LEU 106.A N VAL 99.A O no hydrogen 2.749 N/A VAL 107.A N VAL 99.A O no hydrogen 3.442 N/A HIS 109.A N ALA 97.A O no hydrogen 2.997 N/A HIS 109.A NE2 GLU 396.A OE1 no hydrogen 2.911 N/A LYS 110.A NZ GLU 96.A OE2 no hydrogen 3.401 N/A THR 114.A OG1 GLU 396.A OE2 no hydrogen 2.970 N/A PHE 116.A N PHE 90.A O no hydrogen 3.102 N/A ALA 118.A N LEU 88.A O no hydrogen 3.133 N/A ILE 120.A N ILE 86.A O no hydrogen 2.829 N/A ASN 121.A ND2 GLU 84.A O no hydrogen 2.890 N/A VAL 125.A N ASN 129.A OD1 no hydrogen 2.872 N/A ASN 129.A N PHE 75.A O no hydrogen 2.756 N/A ASN 129.A ND2 PHE 75.A O no hydrogen 3.659 N/A ASN 129.A ND2 VAL 125.A O no hydrogen 3.048 N/A ARG 130.A N ASN 102.A OD1 no hydrogen 2.791 N/A ARG 130.A NE GLU 72.A OE1 no hydrogen 2.946 N/A ARG 130.A NH2 SER 37.A O no hydrogen 2.306 N/A LEU 131.A N ARG 73.A O no hydrogen 2.882 N/A THR 132.A N TYR 100.A O no hydrogen 2.834 N/A THR 132.A OG1 GLU 72.A OE1 no hydrogen 3.105 N/A VAL 133.A N TYR 71.A O no hydrogen 2.827 N/A ALA 134.A N LYS 98.A O no hydrogen 2.894 N/A VAL 135.A N VAL 69.A O no hydrogen 2.887 N/A ASN 136.A N GLU 96.A O no hydrogen 2.770 N/A ASN 136.A ND2 GLU 96.A OE1 no hydrogen 3.230 N/A ASN 137.A N GLY 67.A O no hydrogen 2.926 N/A ASN 137.A ND2 TYR 53.A OH no hydrogen 3.019 N/A ASN 137.A ND2 HIS 65.A O no hydrogen 2.669 N/A ILE 138.A N ASN 136.A OD1 no hydrogen 3.105 N/A ILE 139.A N ASN 162.A OD1 no hydrogen 3.042 N/A ASP 140.A N THR 143.A OG1 no hydrogen 3.027 N/A THR 142.A N ASP 140.A OD1 no hydrogen 2.732 N/A THR 142.A OG1 ASP 140.A OD1 no hydrogen 2.468 N/A THR 143.A OG1 ASP 140.A O no hydrogen 3.287 N/A THR 143.A OG1 PRO 145.A O no hydrogen 2.872 N/A VAL 146.A N VAL 360.A O no hydrogen 3.134 N/A GLY 147.A N ASP 140.A O no hydrogen 2.990 N/A LEU 148.A N SER 163.A O no hydrogen 2.903 N/A LYS 150.A N LYS 161.A O no hydrogen 2.853 N/A VAL 152.A N VAL 159.A O no hydrogen 2.914 N/A VAL 154.A N LYS 157.A O no hydrogen 2.818 N/A VAL 159.A N VAL 152.A O no hydrogen 2.541 N/A ILE 160.A N ASN 30.A OD1 no hydrogen 2.719 N/A LYS 161.A N LYS 150.A O no hydrogen 2.790 N/A ASN 162.A ND2 ILE 139.A O no hydrogen 2.959 N/A ASN 162.A ND2 LEU 148.A O no hydrogen 2.887 N/A SER 163.A N LEU 148.A O no hydrogen 3.092 N/A ASN 165.A N VAL 146.A O no hydrogen 3.297 N/A ASN 165.A ND2 GLY 361.A O no hydrogen 2.932 N/A ASN 165.A ND2 HIS 363.A O no hydrogen 2.798 N/A PHE 169.A N ALA 559.A O no hydrogen 2.997 N/A ASN 170.A ND2 ASN 137.A O no hydrogen 3.241 N/A TYR 171.A N PHE 169.A O no hydrogen 2.892 N/A TYR 171.A OH ASP 55.A OD2 no hydrogen 2.468 N/A ALA 172.A N ASN 54.A OD1 no hydrogen 2.758 N/A GLY 173.A N THR 94.A O no hydrogen 3.345 N/A ARG 176.A NH1 PHE 113.A O no hydrogen 2.858 N/A ARG 176.A NH2 GLU 302.A OE1 no hydrogen 2.956 N/A ARG 176.A NH2 PRO 337.A O no hydrogen 2.606 N/A LYS 179.A N ARG 89.A O no hydrogen 2.769 N/A ILE 180.A N ILE 16.A O no hydrogen 2.758 N/A TYR 181.A N VAL 87.A O no hydrogen 2.970 N/A TYR 181.A OH GLU 117.A OE1 no hydrogen 2.576 N/A TYR 181.A OH GLU 117.A OE2 no hydrogen 3.305 N/A THR 182.A N GLN 14.A O no hydrogen 2.909 N/A THR 183.A N ARG 85.A O no hydrogen 3.033 N/A LYS 185.A NZ ASN 83.A O no hydrogen 2.592 N/A TYR 187.A N VAL 211.A O no hydrogen 3.225 N/A ILE 188.A N ASP 268.A OD2 no hydrogen 2.849 N/A GLU 189.A N GLN 209.A O no hydrogen 2.765 N/A ASP 190.A N GLN 209.A O no hydrogen 3.031 N/A THR 192.A N GLU 207.A O no hydrogen 2.905 N/A ILE 193.A N ASN 403.A OD1 no hydrogen 2.924 N/A VAL 194.A N ASN 205.A O no hydrogen 2.923 N/A THR 195.A OG1 ARG 277.A O no hydrogen 3.248 N/A ASP 196.A N TYR 203.A O no hydrogen 2.911 N/A PHE 197.A N ASP 196.A OD1 no hydrogen 2.452 N/A LYS 198.A N ASN 201.A O no hydrogen 2.952 N/A ASN 200.A ND2 ASN 242.A OD1 no hydrogen 3.182 N/A ASN 201.A N LYS 198.A O no hydrogen 3.253 N/A GLY 202.A N ILE 240.A O no hydrogen 2.882 N/A TYR 203.A N ASP 196.A O no hydrogen 2.660 N/A VAL 204.A N LEU 238.A O no hydrogen 2.659 N/A ASN 205.A N VAL 194.A O no hydrogen 2.784 N/A TYR 206.A N GLY 236.A O no hydrogen 3.208 N/A TYR 206.A OH GLY 233.A O no hydrogen 2.884 N/A GLU 207.A N THR 192.A O no hydrogen 2.968 N/A VAL 208.A N LYS 234.A O no hydrogen 2.808 N/A GLN 209.A N ASP 190.A O no hydrogen 2.873 N/A GLN 209.A NE2 GLU 189.A OE2 no hydrogen 2.861 N/A VAL 211.A N TYR 187.A O no hydrogen 2.916 N/A ASN 215.A N LEU 261.A O no hydrogen 2.783 N/A LYS 217.A N GLU 259.A O no hydrogen 2.934 N/A VAL 218.A N GLY 231.A O no hydrogen 2.981 N/A THR 219.A N LYS 257.A O no hydrogen 3.059 N/A THR 219.A OG1 ALA 229.A O no hydrogen 3.043 N/A ILE 220.A N ALA 229.A O no hydrogen 2.942 N/A ILE 221.A N LYS 255.A O no hydrogen 2.953 N/A ASP 222.A N ASN 226.A O no hydrogen 2.919 N/A GLU 223.A N TYR 252.A OH no hydrogen 3.229 N/A ASN 225.A N ASP 222.A O no hydrogen 3.375 N/A ASN 225.A ND2 ASN 225.A O no hydrogen 3.164 N/A ASN 226.A N ASP 222.A OD1 no hydrogen 2.372 N/A ASN 226.A ND2 ASP 222.A OD2 no hydrogen 2.603 N/A VAL 228.A N ILE 220.A O no hydrogen 2.909 N/A GLY 231.A N VAL 218.A O no hydrogen 2.720 N/A GLY 233.A N ILE 216.A O no hydrogen 2.869 N/A LEU 238.A N VAL 204.A O no hydrogen 2.775 N/A ILE 240.A N GLY 202.A O no hydrogen 2.741 N/A VAL 243.A N ASN 200.A O no hydrogen 2.993 N/A HIS 244.A N TYR 254.A OH no hydrogen 2.891 N/A TRP 246.A N VAL 276.A O no hydrogen 2.905 N/A TRP 246.A NE1 ASP 347.A O no hydrogen 2.995 N/A GLU 247.A N ASN 250.A O no hydrogen 3.018 N/A MET 249.A N GLY 350.A O no hydrogen 2.724 N/A ASN 250.A N GLU 247.A O no hydrogen 2.872 N/A LEU 253.A N GLU 223.A OE2 no hydrogen 3.008 N/A TYR 254.A N PHE 274.A O no hydrogen 2.830 N/A LYS 255.A N ILE 221.A O no hydrogen 2.961 N/A LYS 255.A NZ GLU 273.A OE1 no hydrogen 3.105 N/A LEU 256.A N GLU 272.A O no hydrogen 2.702 N/A LYS 257.A N THR 219.A O no hydrogen 2.850 N/A VAL 258.A N TYR 270.A O no hydrogen 2.789 N/A GLU 259.A N LYS 217.A O no hydrogen 2.846 N/A LEU 260.A N ASP 268.A O no hydrogen 2.823 N/A LEU 261.A N ASN 215.A O no hydrogen 2.741 N/A ASP 262.A N GLU 265.A O no hydrogen 2.793 N/A GLU 265.A N ASP 262.A O no hydrogen 2.823 N/A ILE 267.A N LEU 260.A O no hydrogen 2.744 N/A THR 269.A N SER 12.A OG no hydrogen 2.953 N/A TYR 270.A N VAL 258.A O no hydrogen 2.931 N/A TYR 270.A OH TYR 6.A O no hydrogen 2.557 N/A GLU 272.A N LEU 256.A O no hydrogen 3.030 N/A PHE 274.A N TYR 254.A O no hydrogen 3.063 N/A ARG 277.A N THR 195.A OG1 no hydrogen 3.222 N/A ARG 277.A NE PRO 405.A O no hydrogen 2.793 N/A ARG 277.A NH1 ARG 277.A O no hydrogen 2.874 N/A ARG 277.A NH1 GLN 440.A OE1 no hydrogen 3.113 N/A ARG 277.A NH2 PRO 405.A O no hydrogen 3.462 N/A ARG 277.A NH2 VAL 407.A O no hydrogen 2.842 N/A ARG 277.A NH2 GLN 440.A OE1 no hydrogen 2.921 N/A THR 278.A N ASN 289.A OD1 no hydrogen 3.060 N/A GLU 280.A N LEU 287.A O no hydrogen 2.847 N/A LYS 282.A N LYS 285.A O no hydrogen 3.137 N/A GLY 284.A N LYS 501.A O no hydrogen 3.198 N/A LYS 285.A N LYS 282.A O no hydrogen 3.051 N/A LEU 287.A N GLU 280.A O no hydrogen 2.715 N/A ILE 288.A N LYS 291.A O no hydrogen 3.035 N/A ASN 289.A N THR 278.A O no hydrogen 2.975 N/A ASN 289.A ND2 TRP 246.A O no hydrogen 3.114 N/A ASN 289.A ND2 GLU 247.A OE2 no hydrogen 2.957 N/A LYS 291.A N ILE 288.A O no hydrogen 3.179 N/A LYS 291.A NZ GLU 247.A OE1 no hydrogen 3.374 N/A LYS 291.A NZ GLU 247.A OE2 no hydrogen 3.393 N/A PHE 293.A N PHE 286.A O no hydrogen 2.904 N/A TYR 294.A N GLU 597.A O no hydrogen 3.049 N/A TYR 294.A OH GLU 550.A OE2 no hydrogen 2.527 N/A PHE 295.A N VAL 548.A O no hydrogen 3.147 N/A LYS 296.A N ASN 329.A OD1 no hydrogen 2.842 N/A LYS 296.A NZ GLY 327.A O no hydrogen 2.981 N/A LYS 296.A NZ TRP 592.A O no hydrogen 2.848 N/A LYS 296.A NZ ILE 595.A O no hydrogen 2.733 N/A LYS 296.A NZ GLU 597.A OE2 no hydrogen 3.078 N/A GLY 297.A N GLU 550.A O no hydrogen 3.103 N/A PHE 298.A N SER 330.A O no hydrogen 3.319 N/A GLY 299.A N VAL 552.A O no hydrogen 2.695 N/A LYS 300.A N ARG 332.A O no hydrogen 3.499 N/A LYS 300.A NZ ASP 319.A OD2 no hydrogen 2.959 N/A HIS 301.A ND1 TYR 336.A OH no hydrogen 2.710 N/A GLU 302.A N TYR 336.A OH no hydrogen 2.826 N/A SER 304.A N GLY 308.A O no hydrogen 3.071 N/A ASN 307.A N TYR 305.A O no hydrogen 2.654 N/A GLY 308.A N SER 304.A O no hydrogen 3.019 N/A ARG 309.A N SER 52.A OG no hydrogen 2.911 N/A ARG 309.A NH1 GLU 302.A O no hydrogen 3.014 N/A GLY 310.A N ASN 307.A O no hydrogen 3.089 N/A ILE 311.A N HIS 175.A O no hydrogen 2.931 N/A ALA 314.A N ASN 312.A OD1 no hydrogen 3.230 N/A ILE 315.A N ASN 312.A OD1 no hydrogen 3.327 N/A ASN 316.A N ASN 312.A O no hydrogen 3.028 N/A ILE 317.A N GLU 313.A O no hydrogen 3.005 N/A LYS 318.A N ALA 314.A O no hydrogen 3.066 N/A ASP 319.A N ILE 315.A O no hydrogen 2.793 N/A PHE 320.A N ASN 316.A O no hydrogen 3.026 N/A ASN 321.A N ILE 317.A O no hydrogen 3.049 N/A LEU 322.A N LYS 318.A O no hydrogen 2.798 N/A MET 323.A N ASP 319.A O no hydrogen 2.910 N/A LYS 324.A N PHE 320.A O no hydrogen 3.044 N/A TRP 325.A N ASN 321.A O no hydrogen 2.815 N/A ILE 326.A N LEU 322.A O no hydrogen 2.926 N/A ALA 328.A N MET 323.A O no hydrogen 2.882 N/A ASN 329.A N LYS 296.A O no hydrogen 2.542 N/A ASN 329.A ND2 TYR 294.A O no hydrogen 2.941 N/A ASN 329.A ND2 GLU 597.A OE2 no hydrogen 2.887 N/A SER 330.A N LYS 296.A O no hydrogen 2.985 N/A SER 330.A OG LYS 296.A O no hydrogen 3.209 N/A SER 330.A OG ASN 329.A OD1 no hydrogen 3.223 N/A PHE 331.A N VAL 352.A O no hydrogen 2.985 N/A ARG 332.A N PHE 298.A O no hydrogen 3.116 N/A ARG 332.A NH1 GLU 356.A OE2 no hydrogen 2.794 N/A ARG 332.A NH1 ASN 414.A OD1 no hydrogen 3.125 N/A ARG 332.A NH2 THR 507.A O no hydrogen 3.394 N/A ARG 332.A NH2 GLU 508.A OE2 no hydrogen 3.193 N/A THR 333.A N ILE 354.A O no hydrogen 3.095 N/A THR 333.A OG1 THR 333.A O no hydrogen 2.545 N/A THR 333.A OG1 TYR 336.A O no hydrogen 3.492 N/A THR 333.A OG1 ASP 355.A OD1 no hydrogen 3.545 N/A THR 333.A OG1 GLU 356.A O no hydrogen 3.556 N/A SER 334.A OG LYS 300.A O no hydrogen 2.847 N/A SER 334.A OG ARG 332.A O no hydrogen 2.990 N/A HIS 335.A N GLU 356.A OE1 no hydrogen 2.565 N/A HIS 335.A ND1 GLU 356.A OE1 no hydrogen 2.971 N/A TYR 336.A N THR 333.A O no hydrogen 3.266 N/A TYR 336.A OH HIS 301.A ND1 no hydrogen 2.710 N/A SER 339.A N GLU 302.A OE2 no hydrogen 2.816 N/A GLU 341.A N GLU 341.A OE2 no hydrogen 2.739 N/A ILE 342.A N SER 339.A OG no hydrogen 3.360 N/A MET 343.A N SER 339.A O no hydrogen 3.378 N/A ARG 344.A N GLU 340.A O no hydrogen 2.934 N/A LEU 345.A N GLU 341.A O no hydrogen 3.117 N/A ALA 346.A N ILE 342.A O no hydrogen 2.816 N/A ASP 347.A N MET 343.A O no hydrogen 3.072 N/A ARG 348.A N ARG 344.A O no hydrogen 3.200 N/A ARG 348.A NE ARG 348.A O no hydrogen 2.916 N/A ARG 348.A NH1 GLU 223.A OE2 no hydrogen 3.209 N/A ARG 348.A NH2 GLU 223.A OE2 no hydrogen 2.854 N/A GLU 349.A N LEU 345.A O no hydrogen 2.904 N/A GLY 350.A N ASP 347.A O no hydrogen 3.419 N/A ILE 351.A N ALA 346.A O no hydrogen 2.921 N/A VAL 352.A N ASN 329.A O no hydrogen 2.976 N/A VAL 353.A N CYS 406.A O no hydrogen 2.616 N/A ILE 354.A N PHE 331.A O no hydrogen 2.955 N/A ASP 355.A N MET 409.A O no hydrogen 2.949 N/A GLU 356.A N THR 333.A OG1 no hydrogen 2.822 N/A THR 357.A N SER 411.A O no hydrogen 3.198 N/A THR 357.A OG1 VAL 412.A O no hydrogen 2.530 N/A ALA 359.A N THR 357.A OG1 no hydrogen 3.135 N/A VAL 360.A N PRO 358.A O no hydrogen 2.813 N/A HIS 363.A N GLY 361.A O no hydrogen 2.779 N/A HIS 363.A NE2 TYR 449.A OH no hydrogen 3.045 N/A LEU 364.A N THR 380.A OG1 no hydrogen 3.048 N/A ASN 365.A N HIS 363.A ND1 no hydrogen 3.092 N/A ASN 365.A ND2 ARG 378.A O no hydrogen 2.916 N/A ARG 378.A N ASN 365.A OD1 no hydrogen 3.194 N/A ARG 378.A NH1 GLU 141.A OE1 no hydrogen 3.497 N/A ARG 378.A NH1 GLU 383.A OE2 no hydrogen 3.026 N/A ARG 378.A NH2 GLU 141.A OE1 no hydrogen 2.569 N/A ASP 379.A N GLU 383.A OE1 no hydrogen 3.137 N/A THR 380.A OG1 ASP 417.A OD2 no hydrogen 2.658 N/A TRP 381.A NE1 ASP 417.A O no hydrogen 2.778 N/A LYS 382.A N ASP 379.A OD1 no hydrogen 3.316 N/A GLU 383.A N THR 380.A O no hydrogen 3.268 N/A ILE 384.A N THR 380.A O no hydrogen 2.847 N/A GLY 385.A N GLU 141.A O no hydrogen 3.131 N/A THR 386.A OG1 TYR 426.A OH no hydrogen 2.745 N/A LYS 387.A NZ GLU 391.A OE1 no hydrogen 3.234 N/A GLU 388.A N GLU 388.A OE1 no hydrogen 2.743 N/A HIS 390.A N THR 386.A O no hydrogen 2.833 N/A HIS 390.A ND1 TYR 426.A OH no hydrogen 2.860 N/A HIS 390.A NE2 VAL 412.A O no hydrogen 2.968 N/A GLU 391.A N LYS 387.A O no hydrogen 3.082 N/A ARG 392.A N GLU 388.A O no hydrogen 3.131 N/A ILE 393.A N ALA 389.A O no hydrogen 2.934 N/A LEU 394.A N HIS 390.A O no hydrogen 3.104 N/A ARG 395.A N GLU 391.A O no hydrogen 3.192 N/A GLU 396.A N ARG 392.A O no hydrogen 3.043 N/A LEU 397.A N ILE 393.A O no hydrogen 2.797 N/A VAL 398.A N LEU 394.A O no hydrogen 3.027 N/A SER 399.A N ARG 395.A O no hydrogen 3.174 N/A ARG 400.A N GLU 396.A O no hydrogen 3.084 N/A ARG 400.A NE ASP 401.A OD1 no hydrogen 2.671 N/A ARG 400.A NE ASP 401.A OD2 no hydrogen 3.470 N/A ARG 400.A NH1 TYR 338.A O no hydrogen 2.903 N/A ARG 400.A NH2 TYR 338.A O no hydrogen 2.844 N/A ARG 400.A NH2 ASP 401.A OD1 no hydrogen 3.462 N/A ARG 400.A NH2 ASP 401.A OD2 no hydrogen 2.888 N/A ASP 401.A N LEU 397.A O no hydrogen 3.037 N/A LYS 402.A NZ ASP 190.A OD1 no hydrogen 3.111 N/A LYS 402.A NZ ILE 191.A O no hydrogen 2.654 N/A LYS 402.A NZ SER 399.A O no hydrogen 3.565 N/A ASN 403.A ND2 ILE 191.A O no hydrogen 2.896 N/A ASN 403.A ND2 GLU 272.A OE2 no hydrogen 2.842 N/A HIS 404.A N ASP 401.A O no hydrogen 3.230 N/A HIS 404.A ND1 ASP 347.A OD2 no hydrogen 2.557 N/A CYS 406.A N ASP 347.A OD1 no hydrogen 3.047 N/A CYS 406.A SG MET 343.A O no hydrogen 3.769 N/A CYS 406.A SG ASP 347.A OD1 no hydrogen 3.171 N/A VAL 407.A N HIS 404.A O no hydrogen 3.357 N/A VAL 408.A N VAL 353.A O no hydrogen 3.145 N/A TRP 410.A N PRO 443.A O no hydrogen 3.111 N/A TRP 410.A NE1 ASP 438.A OD2 no hydrogen 2.828 N/A SER 411.A N ASP 355.A O no hydrogen 2.722 N/A SER 411.A OG GLU 356.A OE2 no hydrogen 2.723 N/A VAL 412.A N THR 445.A O no hydrogen 3.006 N/A ASN 414.A N ALA 359.A O no hydrogen 3.110 N/A GLU 415.A N VAL 447.A O no hydrogen 2.772 N/A ASP 417.A N LEU 362.A O no hydrogen 2.961 N/A SER 418.A N PRO 416.A O no hydrogen 2.782 N/A SER 418.A OG SER 452.A OG no hydrogen 2.645 N/A ASP 419.A N ASP 419.A OD1 no hydrogen 2.536 N/A SER 420.A N ASP 417.A O no hydrogen 3.367 N/A SER 420.A OG ASP 417.A OD1 no hydrogen 2.639 N/A SER 420.A OG ASP 417.A OD2 no hydrogen 3.410 N/A ALA 423.A N SER 420.A O no hydrogen 3.337 N/A TYR 426.A N GLY 422.A O no hydrogen 3.105 N/A TYR 426.A N ALA 423.A O no hydrogen 3.267 N/A TYR 426.A OH THR 386.A OG1 no hydrogen 2.745 N/A TYR 426.A OH HIS 390.A ND1 no hydrogen 2.860 N/A PHE 427.A N ALA 423.A O no hydrogen 3.086 N/A GLU 428.A N LYS 424.A O no hydrogen 3.033 N/A ILE 431.A N PHE 427.A O no hydrogen 2.817 N/A LYS 432.A N GLU 428.A O no hydrogen 3.001 N/A LEU 433.A N PRO 429.A O no hydrogen 2.798 N/A THR 434.A N LEU 430.A O no hydrogen 2.848 N/A THR 434.A OG1 LEU 430.A O no hydrogen 2.790 N/A LYS 435.A N ILE 431.A O no hydrogen 3.005 N/A LYS 435.A NZ ARG 442.A O no hydrogen 3.063 N/A GLU 436.A N LYS 432.A O no hydrogen 3.240 N/A LEU 437.A N LEU 433.A O no hydrogen 2.980 N/A ASP 438.A N THR 434.A O no hydrogen 3.024 N/A GLN 440.A N ASP 438.A OD1 no hydrogen 2.948 N/A LYS 441.A N ASP 438.A O no hydrogen 3.211 N/A LYS 441.A NZ LYS 435.A O no hydrogen 3.408 N/A LYS 441.A NZ ASP 438.A O no hydrogen 2.975 N/A ARG 442.A N ASP 438.A OD2 no hydrogen 2.929 N/A ARG 442.A NE ASP 438.A OD2 no hydrogen 2.935 N/A ARG 442.A NH1 LYS 402.A O no hydrogen 3.403 N/A ARG 442.A NH1 HIS 404.A O no hydrogen 3.333 N/A ARG 442.A NH1 VAL 407.A O no hydrogen 3.091 N/A ARG 442.A NH2 LYS 402.A O no hydrogen 2.845 N/A ARG 442.A NH2 ASP 438.A OD1 no hydrogen 2.695 N/A VAL 444.A N ASP 464.A OD2 no hydrogen 2.838 N/A THR 445.A N TRP 410.A O no hydrogen 2.986 N/A THR 445.A OG1 VAL 465.A O no hydrogen 2.719 N/A VAL 447.A N ALA 413.A O no hydrogen 2.995 N/A THR 448.A N CYS 467.A O no hydrogen 3.152 N/A TYR 449.A OH HIS 363.A NE2 no hydrogen 3.045 N/A TYR 449.A OH ASP 419.A OD1 no hydrogen 2.533 N/A TYR 449.A OH ASP 419.A OD2 no hydrogen 3.116 N/A SER 452.A N TYR 449.A O no hydrogen 2.920 N/A SER 452.A OG SER 418.A OG no hydrogen 2.645 N/A THR 453.A OG1 ASP 455.A OD1 no hydrogen 2.702 N/A ASP 455.A N ASP 455.A OD1 no hydrogen 2.653 N/A ARG 456.A N THR 453.A O no hydrogen 2.939 N/A ARG 456.A NH1 ASP 419.A OD2 no hydrogen 2.992 N/A ARG 456.A NH1 MET 451.A O no hydrogen 3.522 N/A CYS 457.A N THR 453.A O no hydrogen 2.894 N/A CYS 457.A SG SER 452.A OG no hydrogen 3.083 N/A LYS 458.A N SER 418.A O no hydrogen 2.885 N/A ILE 462.A N VAL 459.A O no hydrogen 3.086 N/A ASP 464.A N VAL 444.A O no hydrogen 2.954 N/A LEU 466.A N PRO 503.A O no hydrogen 2.881 N/A CYS 467.A SG THR 445.A OG1 no hydrogen 3.429 N/A CYS 467.A SG VAL 465.A O no hydrogen 3.916 N/A LEU 468.A N MET 505.A O no hydrogen 2.909 N/A ASN 469.A N THR 448.A O no hydrogen 2.957 N/A ASN 469.A ND2 ASN 414.A OD1 no hydrogen 3.116 N/A ASN 469.A ND2 GLU 415.A OE2 no hydrogen 2.978 N/A ARG 470.A N GLU 508.A O no hydrogen 2.880 N/A ARG 470.A NE GLU 491.A OE1 no hydrogen 3.060 N/A ARG 470.A NE GLU 491.A OE2 no hydrogen 2.840 N/A ARG 470.A NH1 THR 448.A O no hydrogen 3.199 N/A ARG 470.A NH1 ASN 469.A O no hydrogen 2.984 N/A ARG 470.A NH2 GLU 491.A OE2 no hydrogen 2.756 N/A TYR 471.A OH GLU 508.A OE1 no hydrogen 2.585 N/A TYR 472.A OH GLU 491.A OE1 no hydrogen 2.393 N/A GLY 473.A N VAL 476.A O no hydrogen 2.581 N/A TRP 474.A N TYR 471.A O no hydrogen 3.005 N/A VAL 476.A N TYR 471.A O no hydrogen 3.279 N/A GLY 479.A N TYR 529.A OH no hydrogen 3.011 N/A ASP 480.A N ALA 477.A O no hydrogen 3.113 N/A GLU 483.A N ASP 480.A OD1 no hydrogen 3.315 N/A ALA 484.A N ASP 480.A O no hydrogen 3.059 N/A LYS 485.A N LEU 481.A O no hydrogen 2.953 N/A LYS 485.A NZ GLU 482.A OE2 no hydrogen 3.074 N/A LYS 485.A NZ GLU 539.A OE1 no hydrogen 3.259 N/A ARG 486.A N GLU 482.A O no hydrogen 3.333 N/A ARG 486.A NE GLU 483.A OE2 no hydrogen 3.546 N/A ARG 486.A NH2 GLU 483.A OE1 no hydrogen 2.421 N/A MET 487.A N GLU 483.A O no hydrogen 3.072 N/A LEU 488.A N ALA 484.A O no hydrogen 2.984 N/A GLU 489.A N LYS 485.A O no hydrogen 3.036 N/A ASP 490.A N ARG 486.A O no hydrogen 3.108 N/A GLU 491.A N MET 487.A O no hydrogen 3.120 N/A LEU 492.A N LEU 488.A O no hydrogen 3.013 N/A LYS 493.A N GLU 489.A O no hydrogen 3.130 N/A GLY 494.A N ASP 490.A O no hydrogen 2.953 N/A TRP 495.A N GLU 491.A O no hydrogen 2.899 N/A TRP 495.A NE1 GLU 491.A OE2 no hydrogen 3.123 N/A GLU 496.A N LEU 492.A O no hydrogen 3.078 N/A GLU 497.A N LYS 493.A O no hydrogen 3.070 N/A ARG 498.A N GLY 494.A O no hydrogen 3.147 N/A ARG 498.A NE PRO 454.A O no hydrogen 2.838 N/A ARG 498.A NH1 CYS 457.A O no hydrogen 3.568 N/A ARG 498.A NH1 ASP 461.A OD1 no hydrogen 3.197 N/A ARG 498.A NH1 ASP 461.A OD2 no hydrogen 2.871 N/A ARG 498.A NH2 PRO 454.A O no hydrogen 2.829 N/A ARG 498.A NH2 CYS 457.A O no hydrogen 2.839 N/A CYS 499.A N TRP 495.A O no hydrogen 2.757 N/A CYS 499.A SG GLY 460.A O no hydrogen 3.733 N/A CYS 499.A SG ASP 461.A OD1 no hydrogen 3.742 N/A THR 502.A N CYS 499.A O no hydrogen 3.089 N/A ILE 504.A N ASN 546.A O no hydrogen 2.793 N/A MET 505.A N LEU 466.A O no hydrogen 2.844 N/A PHE 506.A N GLY 549.A O no hydrogen 3.051 N/A THR 507.A N LEU 468.A O no hydrogen 2.894 N/A THR 507.A OG1 LEU 468.A O no hydrogen 3.405 N/A THR 507.A OG1 ASN 469.A OD1 no hydrogen 2.724 N/A GLU 508.A N LEU 468.A O no hydrogen 3.463 N/A TYR 509.A OH HIS 538.A NE2 no hydrogen 2.675 N/A THR 513.A N LYS 571.A O no hydrogen 2.756 N/A THR 513.A OG1 ALA 511.A O no hydrogen 3.047 N/A VAL 514.A N PHE 525.A O no hydrogen 3.164 N/A GLY 516.A N GLU 527.A OE2 no hydrogen 3.115 N/A LEU 517.A N VAL 514.A O no hydrogen 3.152 N/A HIS 518.A ND1 GLU 528.A OE2 no hydrogen 2.779 N/A ASP 519.A N GLU 528.A OE1 no hydrogen 3.173 N/A VAL 523.A N THR 526.A OG1 no hydrogen 3.384 N/A THR 526.A N VAL 523.A O no hydrogen 3.039 N/A THR 526.A OG1 VAL 523.A O no hydrogen 2.573 N/A GLU 527.A N LEU 517.A O no hydrogen 3.019 N/A GLU 528.A N GLU 528.A OE1 no hydrogen 2.709 N/A TYR 529.A N THR 526.A OG1 no hydrogen 3.430 N/A TYR 529.A OH GLY 473.A O no hydrogen 2.439 N/A GLN 530.A N THR 526.A O no hydrogen 3.340 N/A GLN 530.A NE2 GLY 573.A O no hydrogen 3.274 N/A VAL 531.A N GLU 527.A O no hydrogen 3.308 N/A GLU 532.A N GLU 528.A O no hydrogen 3.032 N/A TYR 533.A N TYR 529.A O no hydrogen 2.664 N/A TYR 534.A N GLN 530.A O no hydrogen 3.206 N/A TYR 534.A OH TYR 509.A O no hydrogen 2.763 N/A LYS 535.A N VAL 531.A O no hydrogen 3.088 N/A ALA 536.A N GLU 532.A O no hydrogen 2.975 N/A ASN 537.A N TYR 533.A O no hydrogen 3.199 N/A ASN 537.A ND2 TYR 472.A O no hydrogen 3.063 N/A ASN 537.A ND2 TYR 533.A O no hydrogen 2.988 N/A HIS 538.A N TYR 534.A O no hydrogen 2.957 N/A HIS 538.A NE2 TYR 509.A OH no hydrogen 2.675 N/A GLU 539.A N LYS 535.A O no hydrogen 3.229 N/A VAL 540.A N ASN 537.A O no hydrogen 3.069 N/A MET 541.A N ASN 537.A O no hydrogen 3.006 N/A ASP 542.A N HIS 538.A O no hydrogen 2.925 N/A LYS 543.A N VAL 540.A O no hydrogen 3.025 N/A CYS 544.A N MET 541.A O no hydrogen 3.074 N/A CYS 544.A SG GLU 496.A OE2 no hydrogen 3.373 N/A ASN 546.A N GLU 496.A OE2 no hydrogen 3.018 N/A ASN 546.A ND2 PRO 500.A O no hydrogen 3.027 N/A PHE 547.A N CYS 544.A O no hydrogen 3.092 N/A VAL 548.A N ILE 504.A O no hydrogen 2.554 N/A GLU 550.A N PHE 295.A O no hydrogen 2.753 N/A GLN 551.A N PHE 506.A O no hydrogen 2.764 N/A GLN 551.A NE2 SER 330.A OG no hydrogen 3.093 N/A VAL 552.A N GLY 297.A O no hydrogen 2.770 N/A TRP 553.A N TYR 509.A O no hydrogen 3.213 N/A ASN 554.A N LYS 572.A O no hydrogen 3.009 N/A ASN 554.A ND2 LYS 300.A O no hydrogen 3.395 N/A PHE 555.A N GLY 299.A O no hydrogen 3.076 N/A ALA 556.A N ASN 554.A OD1 no hydrogen 2.935 N/A ASP 557.A N PHE 575.A O no hydrogen 3.104 N/A PHE 558.A N ASN 570.A O no hydrogen 3.259 N/A ALA 559.A N ASP 303.A OD2 no hydrogen 3.304 N/A THR 560.A OG1 SER 561.A O no hydrogen 3.057 N/A ARG 566.A N GLY 563.A O no hydrogen 3.252 N/A ARG 566.A NE ILE 565.A O no hydrogen 2.871 N/A ARG 566.A NH1 ASP 167.A OD1 no hydrogen 3.222 N/A ARG 566.A NH2 TYR 475.A OH no hydrogen 3.313 N/A ARG 566.A NH2 ILE 565.A O no hydrogen 3.353 N/A ASN 570.A N PHE 558.A O no hydrogen 2.748 N/A ASN 570.A ND2 ASP 167.A OD2 no hydrogen 2.903 N/A LYS 571.A N ASP 512.A OD2 no hydrogen 3.061 N/A LYS 571.A NZ VAL 567.A O no hydrogen 2.842 N/A LYS 572.A N ASN 570.A OD1 no hydrogen 2.934 N/A LYS 572.A NZ TYR 475.A OH no hydrogen 3.023 N/A LYS 572.A NZ ASP 512.A OD1 no hydrogen 2.549 N/A GLY 573.A N ASP 557.A OD1 no hydrogen 2.971 N/A ILE 574.A N ASN 554.A O no hydrogen 2.902 N/A PHE 575.A N PHE 555.A O no hydrogen 3.006 N/A THR 576.A N LYS 580.A O no hydrogen 2.681 N/A THR 576.A OG1 LYS 580.A O no hydrogen 3.321 N/A ARG 577.A NE ASP 303.A OD1 no hydrogen 2.855 N/A ARG 577.A NH2 TYR 171.A OH no hydrogen 2.919 N/A ARG 577.A NH2 ASP 303.A OD1 no hydrogen 3.483 N/A GLU 578.A N GLU 578.A OE1 no hydrogen 2.761 N/A ARG 579.A N THR 576.A O no hydrogen 2.803 N/A ARG 579.A NE ASP 319.A OD1 no hydrogen 2.883 N/A ARG 579.A NH1 ASP 303.A O no hydrogen 3.238 N/A ARG 579.A NH1 ASP 319.A OD1 no hydrogen 3.559 N/A ARG 579.A NH1 ASP 319.A OD2 no hydrogen 2.924 N/A ARG 579.A NH2 ASP 303.A O no hydrogen 3.394 N/A ARG 579.A NH2 ARG 577.A O no hydrogen 3.089 N/A LYS 580.A N THR 576.A OG1 no hydrogen 2.907 N/A LYS 582.A N ILE 574.A O no hydrogen 3.135 N/A LYS 582.A NZ THR 513.A O no hydrogen 2.865 N/A LYS 582.A NZ ASP 557.A OD1 no hydrogen 2.776 N/A LYS 582.A NZ ASP 557.A OD2 no hydrogen 3.280 N/A LYS 582.A NZ GLY 573.A O no hydrogen 2.795 N/A MET 583.A N GLU 527.A OE1 no hydrogen 2.768 N/A ALA 585.A N LYS 582.A O no hydrogen 2.947 N/A HIS 586.A N MET 583.A O no hydrogen 3.104 N/A SER 587.A N MET 583.A O no hydrogen 3.312 N/A LEU 588.A N ILE 584.A O no hydrogen 2.814 N/A ARG 589.A N ALA 585.A O no hydrogen 3.034 N/A ARG 589.A NE TRP 325.A O no hydrogen 2.829 N/A GLU 590.A N HIS 586.A O no hydrogen 3.244 N/A ARG 591.A N SER 587.A O no hydrogen 3.138 N/A ARG 591.A NE GLU 550.A OE1 no hydrogen 2.840 N/A ARG 591.A NH1 ASP 542.A OD2 no hydrogen 3.032 N/A ARG 591.A NH2 ASP 542.A OD1 no hydrogen 2.990 N/A ARG 591.A NH2 GLU 550.A OE1 no hydrogen 3.404 N/A ARG 591.A NH2 GLU 550.A OE2 no hydrogen 2.744 N/A TRP 592.A N LEU 588.A O no hydrogen 2.662 N/A TRP 592.A NE1 GLU 550.A OE1 no hydrogen 2.826 N/A THR 593.A N ARG 589.A O no hydrogen 3.024 N/A THR 593.A OG1 ARG 589.A O no hydrogen 2.602 N/A ASN 594.A N ARG 591.A O no hydrogen 3.170 N/A ASN 594.A ND2 GLU 590.A O no hydrogen 2.822 N/A ILE 595.A N TRP 592.A O no hydrogen 3.150 N/A GLY 599.A N PRO 292.A O no hydrogen 3.070 N/A TYR 600.A OH ASP 542.A OD1 no hydrogen 2.691 N/A LYS 601.A NZ MET 541.A O no hydrogen 3.281 N/A LYS 601.A NZ CYS 544.A O no hydrogen 3.160 N/A LYS 601.A NZ PHE 547.A O no hydrogen 2.861 N/A LYS 602.A NZ GLY 599.A O no hydrogen 3.087 N/A