Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1j0h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 93.A OE1 no hydrogen 2.787 N/A ARG 2.A N ASP 33.A OD2 no hydrogen 2.820 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.734 N/A ALA 5.A N ARG 2.A O no hydrogen 3.054 N/A ILE 6.A N LYS 3.A O no hydrogen 3.221 N/A TYR 7.A N ARG 28.A O no hydrogen 2.986 N/A HIS 8.A N TYR 97.A OH no hydrogen 3.104 N/A HIS 8.A ND1 ARG 26.A O no hydrogen 2.703 N/A HIS 8.A NE2 TYR 84.A OH no hydrogen 2.837 N/A ALA 11.A N ARG 9.A O no hydrogen 2.726 N/A ASN 13.A ND2 HIS 406.A O no hydrogen 2.776 N/A PHE 14.A N ALA 11.A O no hydrogen 2.977 N/A ALA 15.A N ALA 11.A O no hydrogen 3.252 N/A TYR 16.A N HIS 24.A O no hydrogen 3.198 N/A TYR 16.A OH HIS 24.A ND1 no hydrogen 2.774 N/A TYR 18.A N THR 22.A O no hydrogen 2.776 N/A TYR 18.A OH GLU 414.A OE1 no hydrogen 3.260 N/A TYR 18.A OH GLU 414.A OE2 no hydrogen 2.416 N/A ASP 19.A N THR 22.A O no hydrogen 3.417 N/A GLU 21.A N ASP 19.A OD2 no hydrogen 2.914 N/A THR 22.A N ASP 19.A O no hydrogen 3.332 N/A THR 22.A N ASP 19.A OD2 no hydrogen 2.529 N/A THR 22.A OG1 ASP 19.A OD1 no hydrogen 3.295 N/A THR 22.A OG1 ASP 19.A OD2 no hydrogen 2.876 N/A LEU 23.A N VAL 75.A O no hydrogen 2.906 N/A HIS 24.A N TYR 16.A O no hydrogen 2.861 N/A HIS 24.A ND1 TYR 16.A OH no hydrogen 2.774 N/A LEU 25.A N ALA 73.A O no hydrogen 2.884 N/A ARG 26.A N PHE 14.A O no hydrogen 2.805 N/A ARG 26.A NE ASN 13.A O no hydrogen 2.921 N/A ARG 26.A NH2 TYR 408.A O no hydrogen 2.986 N/A ARG 26.A NH2 ASN 410.A OD1 no hydrogen 2.499 N/A LEU 27.A N TRP 71.A O no hydrogen 3.163 N/A ARG 28.A N TYR 7.A O no hydrogen 3.217 N/A ARG 28.A NH1 ALA 5.A O no hydrogen 2.975 N/A THR 29.A N ASP 69.A O no hydrogen 2.942 N/A LYS 31.A N LEU 67.A O no hydrogen 2.961 N/A ASP 32.A N ASP 69.A OD2 no hydrogen 2.722 N/A ASP 33.A N LYS 30.A O no hydrogen 2.992 N/A ASP 35.A N TYR 89.A O no hydrogen 2.875 N/A ARG 36.A N TYR 89.A O no hydrogen 3.344 N/A GLU 38.A N VAL 87.A O no hydrogen 2.927 N/A LEU 39.A N MET 57.A O no hydrogen 2.580 N/A LEU 40.A N GLY 85.A O no hydrogen 2.952 N/A HIS 41.A N GLN 55.A O no hydrogen 2.982 N/A GLY 42.A N ARG 83.A O no hydrogen 3.224 N/A TYR 45.A N ASP 43.A OD2 no hydrogen 2.748 N/A ASP 46.A N ASP 43.A O no hydrogen 3.170 N/A GLN 48.A N ALA 51.A O no hydrogen 3.016 N/A ALA 51.A N GLN 48.A O no hydrogen 3.062 N/A TRP 52.A NE1 ASP 43.A O no hydrogen 2.789 N/A GLN 53.A N ASP 46.A O no hydrogen 2.829 N/A GLN 53.A NE2 ALA 51.A O no hydrogen 3.283 N/A GLN 55.A N HIS 41.A O no hydrogen 2.836 N/A MET 57.A N LEU 39.A O no hydrogen 2.798 N/A MET 59.A N VAL 37.A O no hydrogen 2.768 N/A ARG 60.A N PHE 72.A O no hydrogen 2.966 N/A ARG 60.A NH1 GLU 507.A OE1 no hydrogen 2.941 N/A ARG 60.A NH2 GLU 507.A OE2 no hydrogen 3.136 N/A LYS 61.A NZ ASP 69.A OD2 no hydrogen 3.263 N/A THR 62.A N TYR 70.A O no hydrogen 2.902 N/A THR 62.A OG1 TYR 70.A O no hydrogen 3.458 N/A THR 62.A OG1 HIS 406.A NE2 no hydrogen 2.668 N/A ASP 65.A N PHE 68.A O no hydrogen 3.016 N/A LEU 67.A N ASP 65.A OD1 no hydrogen 3.079 N/A PHE 68.A N ASP 65.A OD1 no hydrogen 2.700 N/A ASP 69.A N THR 29.A O no hydrogen 2.726 N/A TYR 70.A N GLY 63.A O no hydrogen 2.898 N/A TRP 71.A N LEU 27.A O no hydrogen 2.731 N/A TRP 71.A NE1 THR 29.A OG1 no hydrogen 3.026 N/A PHE 72.A N ARG 60.A O no hydrogen 2.726 N/A ALA 73.A N LEU 25.A O no hydrogen 3.095 N/A VAL 75.A N LEU 23.A O no hydrogen 2.979 N/A LYS 76.A NZ THR 22.A OG1 no hydrogen 2.646 N/A ARG 80.A N PRO 77.A O no hydrogen 3.174 N/A ARG 81.A NE ASP 43.A OD1 no hydrogen 2.896 N/A ARG 81.A NH2 ASP 43.A OD1 no hydrogen 3.129 N/A LEU 82.A N PHE 117.A O no hydrogen 3.164 N/A ARG 83.A N GLY 42.A O no hydrogen 3.052 N/A ARG 83.A NH1 TYR 114.A O no hydrogen 2.830 N/A TYR 84.A N PHE 115.A O no hydrogen 2.853 N/A TYR 84.A OH HIS 8.A NE2 no hydrogen 2.837 N/A GLY 85.A N LEU 40.A O no hydrogen 2.901 N/A PHE 86.A N TYR 97.A O no hydrogen 2.970 N/A VAL 87.A N GLU 38.A O no hydrogen 2.928 N/A LEU 88.A N LEU 95.A O no hydrogen 2.782 N/A TYR 89.A N ARG 36.A O no hydrogen 2.951 N/A TYR 89.A OH GLU 38.A OE1 no hydrogen 2.655 N/A SER 90.A N GLU 93.A O no hydrogen 3.106 N/A GLY 91.A N ASP 35.A OD2 no hydrogen 3.212 N/A GLU 93.A N SER 90.A O no hydrogen 2.980 N/A LYS 94.A NZ GLU 105.A OE1 no hydrogen 3.473 N/A LYS 94.A NZ GLU 105.A OE2 no hydrogen 3.463 N/A LEU 95.A N LEU 88.A O no hydrogen 2.992 N/A VAL 96.A N TYR 103.A O no hydrogen 2.827 N/A TYR 97.A N PHE 86.A O no hydrogen 2.687 N/A TYR 97.A OH HIS 8.A O no hydrogen 3.329 N/A THR 98.A N GLY 101.A O no hydrogen 2.860 N/A THR 98.A OG1 GLY 101.A O no hydrogen 2.842 N/A THR 98.A OG1 TYR 113.A O no hydrogen 3.203 N/A LYS 100.A N THR 98.A OG1 no hydrogen 3.120 N/A LYS 100.A N TYR 113.A O no hydrogen 2.985 N/A GLY 101.A N THR 98.A O no hydrogen 3.051 N/A TYR 103.A N VAL 96.A O no hydrogen 2.923 N/A VAL 106.A N GLU 105.A OE2 no hydrogen 2.907 N/A ALA 112.A N ASP 110.A OD2 no hydrogen 3.044 N/A TYR 113.A OH ASP 109.A OD1 no hydrogen 2.592 N/A TYR 113.A OH ASP 109.A OD2 no hydrogen 3.288 N/A TYR 114.A N THR 111.A O no hydrogen 3.115 N/A TYR 114.A OH PRO 107.A O no hydrogen 2.547 N/A PHE 115.A N TYR 84.A O no hydrogen 2.901 N/A CYS 116.A SG LEU 82.A O no hydrogen 3.622 N/A PHE 117.A N LEU 82.A O no hydrogen 2.888 N/A LEU 120.A N ARG 80.A O no hydrogen 2.998 N/A ASP 124.A N HIS 121.A O no hydrogen 3.233 N/A LEU 125.A N ARG 122.A O no hydrogen 3.156 N/A TRP 131.A NE1 ASP 351.A O no hydrogen 2.759 N/A VAL 132.A N PRO 129.A O no hydrogen 3.388 N/A LYS 133.A N ASP 130.A O no hydrogen 3.134 N/A LYS 133.A NZ GLU 414.A OE1 no hydrogen 2.860 N/A ASP 134.A N TRP 131.A O no hydrogen 3.332 N/A THR 135.A N VAL 132.A O no hydrogen 3.133 N/A THR 135.A OG1 TRP 131.A O no hydrogen 2.867 N/A VAL 136.A N THR 191.A OG1 no hydrogen 3.418 N/A TRP 137.A N PRO 453.A O no hydrogen 2.717 N/A TRP 137.A NE1 SER 452.A OG no hydrogen 2.748 N/A TYR 138.A N GLY 192.A O no hydrogen 2.756 N/A TYR 138.A OH GLU 460.A OE1 no hydrogen 2.723 N/A GLN 139.A N ILE 455.A O no hydrogen 2.771 N/A ILE 140.A N TYR 194.A O no hydrogen 2.842 N/A ARG 144.A N PHE 141.A O no hydrogen 2.859 N/A ARG 144.A NE GLU 143.A OE1 no hydrogen 2.705 N/A ARG 144.A NH1 ARG 472.A O no hydrogen 2.769 N/A ARG 144.A NH2 GLU 143.A OE1 no hydrogen 3.462 N/A ARG 144.A NH2 SER 169.A O no hydrogen 2.920 N/A GLY 148.A N ASP 174.A OD1 no hydrogen 2.750 N/A ASN 149.A N ASP 174.A OD2 no hydrogen 2.833 N/A SER 151.A OG ASN 149.A OD1 no hydrogen 2.545 N/A ILE 152.A N ASN 149.A O no hydrogen 3.313 N/A SER 153.A N PRO 150.A O no hydrogen 3.117 N/A SER 153.A OG ASN 149.A O no hydrogen 3.541 N/A SER 153.A OG PRO 150.A O no hydrogen 3.226 N/A SER 153.A OG GLY 172.A O no hydrogen 3.503 N/A SER 157.A N PRO 154.A O no hydrogen 3.135 N/A SER 157.A OG PRO 154.A O no hydrogen 2.541 N/A ARG 158.A N PHE 170.A O no hydrogen 2.738 N/A ARG 158.A NE GLU 163.A OE1 no hydrogen 3.195 N/A TRP 160.A NE1 MET 475.A O no hydrogen 2.940 N/A SER 162.A N PRO 159.A O no hydrogen 2.927 N/A SER 162.A OG PRO 159.A O no hydrogen 2.688 N/A THR 166.A N SER 169.A OG no hydrogen 2.917 N/A THR 168.A N THR 166.A OG1 no hydrogen 3.229 N/A SER 169.A N THR 166.A OG1 no hydrogen 3.012 N/A PHE 171.A N GLU 143.A OE1 no hydrogen 2.881 N/A PHE 171.A N GLU 143.A OE2 no hydrogen 3.139 N/A GLY 172.A N GLU 143.A OE2 no hydrogen 2.846 N/A GLY 173.A N GLU 143.A O no hydrogen 3.057 N/A ASP 174.A N ALA 146.A O no hydrogen 3.068 N/A LEU 175.A N PHE 219.A O no hydrogen 2.858 N/A GLY 177.A N ASP 174.A OD1 no hydrogen 2.925 N/A ILE 178.A N LEU 175.A O no hydrogen 2.975 N/A ILE 179.A N LEU 175.A O no hydrogen 3.155 N/A ASP 180.A N GLN 176.A O no hydrogen 2.872 N/A HIS 181.A N ILE 178.A O no hydrogen 3.107 N/A LEU 182.A N ILE 179.A O no hydrogen 3.270 N/A TYR 184.A N HIS 181.A O no hydrogen 3.190 N/A TYR 184.A OH GLU 460.A OE1 no hydrogen 2.616 N/A VAL 186.A N LEU 182.A O no hydrogen 2.915 N/A ASP 187.A N ASP 183.A O no hydrogen 2.972 N/A LEU 188.A N TYR 184.A O no hydrogen 3.077 N/A GLY 189.A N LEU 185.A O no hydrogen 2.986 N/A ILE 190.A N LEU 185.A O no hydrogen 3.098 N/A THR 191.A N VAL 136.A O no hydrogen 3.168 N/A ILE 193.A N ARG 238.A O no hydrogen 2.859 N/A TYR 194.A N TYR 138.A O no hydrogen 2.956 N/A TYR 194.A OH ASP 242.A OD1 no hydrogen 2.745 N/A LEU 195.A N MET 240.A O no hydrogen 2.975 N/A THR 196.A N ILE 140.A O no hydrogen 3.184 N/A THR 196.A OG1 ILE 140.A O no hydrogen 3.521 N/A ARG 200.A N GLU 214.A O no hydrogen 2.815 N/A SER 201.A N ASP 216.A OD1 no hydrogen 3.066 N/A SER 201.A OG SER 203.A OG no hydrogen 3.274 N/A SER 201.A OG ASP 208.A O no hydrogen 2.793 N/A SER 201.A OG ASP 208.A OD1 no hydrogen 2.851 N/A SER 203.A OG SER 201.A OG no hydrogen 3.274 N/A SER 203.A OG ASP 208.A OD1 no hydrogen 2.515 N/A ASN 204.A ND2 THR 166.A O no hydrogen 3.352 N/A ASN 204.A ND2 PRO 167.A O no hydrogen 3.099 N/A ASN 204.A ND2 SER 169.A O no hydrogen 3.007 N/A LYS 206.A N SER 203.A OG no hydrogen 2.814 N/A LYS 206.A NZ SER 201.A O no hydrogen 2.844 N/A LYS 206.A NZ SER 203.A O no hydrogen 3.000 N/A LYS 206.A NZ ASP 216.A OD1 no hydrogen 2.785 N/A TYR 207.A N HIS 205.A ND1 no hydrogen 3.030 N/A TYR 207.A OH ASP 242.A OD1 no hydrogen 2.662 N/A TYR 207.A OH HIS 423.A NE2 no hydrogen 2.831 N/A ALA 210.A N ARG 200.A O no hydrogen 2.810 N/A ASP 211.A N ARG 200.A O no hydrogen 3.347 N/A TYR 212.A OH VAL 244.A O no hydrogen 2.847 N/A PHE 213.A N ASP 211.A OD2 no hydrogen 2.797 N/A GLU 214.A N ASP 211.A O no hydrogen 3.359 N/A ASP 216.A N ILE 198.A O no hydrogen 2.823 N/A HIS 218.A N ASP 216.A OD2 no hydrogen 2.857 N/A HIS 218.A ND1 ILE 152.A O no hydrogen 2.985 N/A PHE 219.A N ASP 216.A O no hydrogen 2.766 N/A GLY 220.A N ASP 216.A O no hydrogen 3.042 N/A LYS 222.A NZ PHE 213.A O no hydrogen 2.853 N/A LYS 222.A NZ TYR 315.A OH no hydrogen 2.766 N/A THR 224.A N ASP 221.A OD1 no hydrogen 2.734 N/A THR 224.A OG1 ASP 221.A OD1 no hydrogen 2.832 N/A LEU 225.A N ASP 221.A O no hydrogen 3.070 N/A LYS 226.A N LYS 222.A O no hydrogen 2.967 N/A LYS 226.A NZ ASP 230.A OD1 no hydrogen 2.828 N/A LYS 226.A NZ PHE 320.A O no hydrogen 3.333 N/A THR 227.A N GLU 223.A O no hydrogen 3.004 N/A THR 227.A OG1 GLU 223.A O no hydrogen 3.076 N/A LEU 228.A N THR 224.A O no hydrogen 2.900 N/A ILE 229.A N LEU 225.A O no hydrogen 2.998 N/A ASP 230.A N LYS 226.A O no hydrogen 2.847 N/A ARG 231.A N THR 227.A O no hydrogen 2.841 N/A ARG 231.A NH1 GLU 234.A OE1 no hydrogen 2.950 N/A CYS 232.A N LEU 228.A O no hydrogen 2.929 N/A CYS 232.A SG LEU 228.A O no hydrogen 3.384 N/A HIS 233.A N ILE 229.A O no hydrogen 2.913 N/A HIS 233.A NE2 ASP 321.A O no hydrogen 3.260 N/A GLU 234.A N ASP 230.A O no hydrogen 2.967 N/A LYS 235.A N ARG 231.A O no hydrogen 3.132 N/A LYS 235.A NZ ASP 183.A OD1 no hydrogen 2.940 N/A GLY 236.A N HIS 233.A O no hydrogen 2.978 N/A ILE 237.A N CYS 232.A O no hydrogen 2.741 N/A ARG 238.A N THR 191.A O no hydrogen 3.009 N/A ARG 238.A NH1 ASP 351.A OD1 no hydrogen 3.370 N/A VAL 239.A N ASP 323.A OD1 no hydrogen 2.812 N/A MET 240.A N ILE 193.A O no hydrogen 2.868 N/A LEU 241.A N GLY 324.A O no hydrogen 2.985 N/A ALA 243.A N ARG 326.A O no hydrogen 2.795 N/A ASN 246.A ND2 HIS 247.A ND1 no hydrogen 3.133 N/A CYS 248.A N PRO 296.A O no hydrogen 3.067 N/A CYS 248.A SG GLY 249.A O no hydrogen 3.508 N/A CYS 248.A SG PRO 296.A O no hydrogen 4.032 N/A GLY 249.A N THR 209.A O no hydrogen 2.692 N/A PHE 252.A N GLY 249.A O no hydrogen 3.108 N/A GLN 256.A N PHE 252.A O no hydrogen 2.958 N/A GLN 256.A NE2 TYR 250.A O no hydrogen 2.578 N/A ASP 257.A N ALA 253.A O no hydrogen 3.100 N/A VAL 258.A N PRO 254.A O no hydrogen 3.226 N/A TRP 259.A N PHE 255.A O no hydrogen 2.790 N/A LYS 260.A N GLN 256.A O no hydrogen 3.083 N/A LYS 260.A N ASP 257.A O no hydrogen 3.257 N/A ASN 261.A N ASP 257.A O no hydrogen 2.760 N/A ASN 261.A ND2 ASP 257.A O no hydrogen 3.469 N/A ASN 261.A ND2 ASP 257.A OD1 no hydrogen 2.958 N/A GLY 262.A N VAL 258.A O no hydrogen 2.803 N/A SER 264.A N ASN 261.A O no hydrogen 3.166 N/A SER 264.A OG ASN 261.A O no hydrogen 2.723 N/A SER 265.A N GLY 262.A O no hydrogen 2.971 N/A SER 265.A OG ASP 257.A OD2 no hydrogen 2.471 N/A LYS 266.A NZ TYR 267.A OH no hydrogen 2.974 N/A TYR 267.A N SER 265.A OG no hydrogen 3.043 N/A LYS 268.A N SER 265.A O no hydrogen 3.364 N/A TRP 270.A N TYR 267.A O no hydrogen 2.992 N/A TRP 270.A NE1 GLU 304.A OE1 no hydrogen 2.919 N/A PHE 271.A N LYS 268.A O no hydrogen 3.486 N/A HIS 274.A N ASN 285.A O no hydrogen 2.778 N/A GLN 279.A N ASN 285.A OD1 no hydrogen 3.105 N/A ASN 285.A ND2 GLU 275.A OE1 no hydrogen 3.341 N/A ASN 285.A ND2 PRO 277.A O no hydrogen 2.978 N/A TYR 286.A OH PRO 293.A O no hydrogen 2.780 N/A ASP 287.A N HIS 272.A O no hydrogen 2.947 N/A THR 288.A OG1 PHE 289.A O no hydrogen 3.205 N/A THR 288.A OG1 ALA 290.A O no hydrogen 3.058 N/A PHE 289.A N MET 295.A O no hydrogen 2.886 N/A VAL 292.A N PHE 289.A O no hydrogen 2.981 N/A MET 295.A N VAL 292.A O no hydrogen 2.963 N/A LYS 297.A N ASP 287.A O no hydrogen 2.833 N/A LYS 297.A NZ GLU 332.A O no hydrogen 2.893 N/A LEU 298.A N ASN 246.A O no hydrogen 2.897 N/A ASN 299.A N TRP 270.A O no hydrogen 2.855 N/A ASN 299.A ND2 ASP 269.A O no hydrogen 2.868 N/A THR 300.A OG1 ASP 334.A OD1 no hydrogen 2.457 N/A ALA 301.A N ASN 299.A OD1 no hydrogen 3.081 N/A ASN 302.A N ASN 299.A O no hydrogen 3.035 N/A ASN 302.A ND2 ASP 269.A O no hydrogen 3.503 N/A ASN 302.A ND2 ASP 269.A OD2 no hydrogen 2.819 N/A VAL 305.A N ASN 302.A OD1 no hydrogen 2.870 N/A LYS 306.A N ASN 302.A O no hydrogen 2.957 N/A LYS 306.A NZ GLU 340.A OE2 no hydrogen 2.534 N/A ARG 307.A N PRO 303.A O no hydrogen 3.020 N/A ARG 307.A NE ARG 307.A O no hydrogen 2.904 N/A ARG 307.A NE ASP 311.A OD1 no hydrogen 3.050 N/A ARG 307.A NE ASP 311.A OD2 no hydrogen 3.327 N/A ARG 307.A NH1 GLU 344.A OE2 no hydrogen 3.091 N/A ARG 307.A NH2 ASP 311.A OD1 no hydrogen 2.901 N/A ARG 307.A NH2 GLU 344.A OE1 no hydrogen 3.242 N/A TYR 308.A N GLU 304.A O no hydrogen 2.987 N/A LEU 309.A N VAL 305.A O no hydrogen 2.921 N/A LEU 310.A N LYS 306.A O no hydrogen 2.870 N/A ASP 311.A N ARG 307.A O no hydrogen 2.934 N/A VAL 312.A N TYR 308.A O no hydrogen 2.865 N/A ALA 313.A N LEU 309.A O no hydrogen 2.792 N/A THR 314.A N LEU 310.A O no hydrogen 3.040 N/A THR 314.A OG1 LEU 310.A O no hydrogen 3.033 N/A THR 314.A OG1 ASP 311.A O no hydrogen 3.265 N/A TYR 315.A N ASP 311.A O no hydrogen 2.785 N/A TRP 316.A N VAL 312.A O no hydrogen 3.415 N/A TRP 316.A NE1 TYR 212.A O no hydrogen 3.042 N/A ARG 318.A N THR 314.A O no hydrogen 2.773 N/A ARG 318.A NE GLU 319.A OE2 no hydrogen 2.999 N/A GLU 319.A N TYR 315.A O no hydrogen 2.809 N/A PHE 320.A N TRP 316.A O no hydrogen 3.044 N/A ASP 321.A N ILE 317.A O no hydrogen 2.756 N/A ASP 323.A N VAL 239.A O no hydrogen 2.658 N/A TRP 325.A N TYR 353.A O no hydrogen 2.923 N/A TRP 325.A NE1 ALA 313.A O no hydrogen 2.906 N/A ARG 326.A N LEU 241.A O no hydrogen 2.820 N/A ARG 326.A NH1 ASP 242.A OD2 no hydrogen 2.952 N/A ARG 326.A NH1 ASP 328.A OD1 no hydrogen 2.962 N/A LEU 327.A N LEU 355.A O no hydrogen 2.644 N/A ASP 328.A N ALA 243.A O no hydrogen 2.909 N/A VAL 329.A N GLU 357.A OE1 no hydrogen 2.765 N/A GLU 332.A N VAL 329.A O no hydrogen 3.109 N/A ILE 333.A N ALA 330.A O no hydrogen 3.248 N/A PHE 337.A N ASP 334.A OD2 no hydrogen 2.798 N/A TRP 338.A N ASP 334.A O no hydrogen 3.334 N/A TRP 338.A NE1 ALA 330.A O no hydrogen 2.879 N/A ARG 339.A N HIS 335.A O no hydrogen 2.979 N/A ARG 339.A N GLU 336.A O no hydrogen 3.249 N/A ARG 339.A NE ASP 369.A OD2 no hydrogen 2.746 N/A GLU 340.A N GLU 336.A O no hydrogen 3.312 N/A PHE 341.A N PHE 337.A O no hydrogen 2.888 N/A ARG 342.A N TRP 338.A O no hydrogen 3.003 N/A ARG 342.A NH1 GLN 370.A O no hydrogen 2.861 N/A ARG 342.A NH1 ASP 372.A OD1 no hydrogen 2.939 N/A ARG 342.A NH2 ASP 372.A OD1 no hydrogen 2.935 N/A GLN 343.A N ARG 339.A O no hydrogen 3.071 N/A GLU 344.A N GLU 340.A O no hydrogen 2.995 N/A VAL 345.A N PHE 341.A O no hydrogen 2.957 N/A LYS 346.A N ARG 342.A O no hydrogen 2.824 N/A LYS 346.A NZ PRO 350.A O no hydrogen 3.326 N/A LYS 346.A NZ VAL 352.A O no hydrogen 2.697 N/A LYS 346.A NZ ASP 372.A OD1 no hydrogen 3.468 N/A LYS 346.A NZ ASP 372.A OD2 no hydrogen 2.826 N/A ALA 347.A N GLN 343.A O no hydrogen 3.075 N/A LEU 348.A N GLU 344.A O no hydrogen 3.233 N/A LYS 349.A N VAL 345.A O no hydrogen 2.898 N/A LYS 349.A NZ ASP 321.A OD2 no hydrogen 2.778 N/A LYS 349.A NZ ILE 322.A O no hydrogen 2.798 N/A LYS 349.A NZ ASP 323.A OD2 no hydrogen 2.903 N/A VAL 352.A N LYS 349.A O no hydrogen 2.979 N/A TYR 353.A N ASP 323.A O no hydrogen 2.970 N/A TYR 353.A OH ALA 415.A O no hydrogen 2.795 N/A ILE 354.A N ASP 372.A OD2 no hydrogen 2.840 N/A LEU 355.A N TRP 325.A O no hydrogen 3.033 N/A GLY 356.A N ALA 373.A O no hydrogen 2.824 N/A GLU 357.A N LEU 327.A O no hydrogen 2.814 N/A TRP 359.A NE1 GLU 357.A OE2 no hydrogen 3.019 N/A HIS 360.A ND1 ASP 361.A O no hydrogen 2.744 N/A HIS 360.A NE2 ASN 331.A OD1 no hydrogen 2.949 N/A ALA 362.A N TYR 408.A OH no hydrogen 2.874 N/A MET 363.A N ASP 361.A OD2 no hydrogen 3.309 N/A TRP 365.A N ALA 362.A O no hydrogen 2.951 N/A LEU 366.A N MET 363.A O no hydrogen 2.908 N/A ARG 367.A NE ASP 12.A OD1 no hydrogen 3.106 N/A ARG 367.A NH2 ASP 12.A OD1 no hydrogen 3.237 N/A GLN 370.A NE2 HIS 335.A ND1 no hydrogen 2.820 N/A PHE 371.A N TRP 365.A O no hydrogen 3.073 N/A ASP 372.A N ILE 354.A O no hydrogen 2.787 N/A ALA 373.A N ILE 354.A O no hydrogen 3.263 N/A MET 375.A N GLY 356.A O no hydrogen 2.968 N/A ASN 376.A N PHE 417.A O no hydrogen 2.885 N/A ASN 376.A ND2 ASN 418.A OD1 no hydrogen 2.970 N/A TYR 377.A N MET 375.A O no hydrogen 2.882 N/A TYR 377.A OH SER 422.A OG no hydrogen 2.754 N/A PHE 379.A N ASN 376.A O no hydrogen 3.133 N/A PHE 379.A N ASN 376.A OD1 no hydrogen 3.244 N/A THR 380.A N ASN 376.A O no hydrogen 3.247 N/A THR 380.A OG1 ASN 376.A O no hydrogen 3.357 N/A THR 380.A OG1 LEU 419.A O no hydrogen 2.754 N/A ASP 381.A N TYR 377.A O no hydrogen 2.901 N/A GLY 382.A N PRO 378.A O no hydrogen 3.197 N/A VAL 383.A N PHE 379.A O no hydrogen 2.967 N/A LEU 384.A N THR 380.A O no hydrogen 2.991 N/A ARG 385.A N ASP 381.A O no hydrogen 3.031 N/A PHE 386.A N GLY 382.A O no hydrogen 3.205 N/A PHE 387.A N VAL 383.A O no hydrogen 2.972 N/A ALA 388.A N LEU 384.A O no hydrogen 2.975 N/A LYS 389.A N LEU 384.A O no hydrogen 2.932 N/A GLU 391.A N ARG 385.A O no hydrogen 2.713 N/A SER 393.A N GLN 396.A OE1 no hydrogen 2.905 N/A ALA 394.A N MET 517.A O no hydrogen 3.095 N/A ARG 395.A N GLU 516.A O no hydrogen 3.105 N/A GLN 396.A N SER 393.A OG no hydrogen 3.130 N/A PHE 397.A N SER 393.A O no hydrogen 2.900 N/A ALA 398.A N ALA 394.A O no hydrogen 2.986 N/A ASN 399.A N ARG 395.A O no hydrogen 3.099 N/A GLN 400.A N GLN 396.A O no hydrogen 3.027 N/A GLN 400.A NE2 ASP 381.A OD2 no hydrogen 3.328 N/A MET 401.A N PHE 397.A O no hydrogen 2.916 N/A MET 402.A N ALA 398.A O no hydrogen 2.856 N/A HIS 403.A N ASN 399.A O no hydrogen 2.750 N/A HIS 403.A ND1 ASP 65.A OD2 no hydrogen 2.855 N/A VAL 404.A N GLN 400.A O no hydrogen 2.990 N/A LEU 405.A N MET 401.A O no hydrogen 3.041 N/A HIS 406.A N MET 402.A O no hydrogen 3.075 N/A HIS 406.A ND1 MET 402.A O no hydrogen 2.840 N/A HIS 406.A NE2 THR 62.A OG1 no hydrogen 2.668 N/A SER 407.A N VAL 404.A O no hydrogen 3.317 N/A SER 407.A OG VAL 404.A O no hydrogen 2.658 N/A TYR 408.A N LEU 405.A O no hydrogen 3.277 N/A ASN 410.A N TYR 16.A OH no hydrogen 2.951 N/A ASN 411.A ND2 ALA 17.A O no hydrogen 3.338 N/A VAL 412.A N PRO 409.A O no hydrogen 3.013 N/A ASN 413.A N PRO 409.A O no hydrogen 3.134 N/A ASN 413.A ND2 LEU 405.A O no hydrogen 2.807 N/A ASN 413.A ND2 TYR 408.A O no hydrogen 3.661 N/A GLU 414.A N ASN 410.A O no hydrogen 3.003 N/A ALA 415.A N VAL 412.A O no hydrogen 3.123 N/A ALA 416.A N ASN 413.A O no hydrogen 3.294 N/A ASN 418.A N SER 452.A O no hydrogen 3.270 N/A ASN 418.A ND2 THR 450.A O no hydrogen 2.940 N/A SER 422.A N THR 425.A OG1 no hydrogen 2.971 N/A SER 422.A OG TYR 377.A OH no hydrogen 2.754 N/A HIS 423.A N HIS 423.A ND1 no hydrogen 2.819 N/A HIS 423.A NE2 TYR 207.A OH no hydrogen 2.831 N/A ASP 424.A N SER 422.A OG no hydrogen 3.112 N/A THR 425.A N SER 422.A O no hydrogen 3.334 N/A THR 425.A OG1 SER 422.A O no hydrogen 3.482 N/A THR 425.A OG1 SER 426.A O no hydrogen 2.961 N/A ARG 427.A N GLY 465.A O no hydrogen 2.909 N/A ARG 427.A NE CYS 471.A O no hydrogen 3.247 N/A ARG 427.A NH1 TYR 457.A O no hydrogen 2.642 N/A ARG 427.A NH1 ASP 459.A OD1 no hydrogen 2.974 N/A ARG 427.A NH2 TYR 457.A O no hydrogen 3.118 N/A ARG 427.A NH2 CYS 471.A O no hydrogen 3.075 N/A THR 430.A OG1 GLY 465.A O no hydrogen 3.364 N/A VAL 431.A N ARG 427.A O no hydrogen 2.885 N/A CYS 432.A N ILE 428.A O no hydrogen 2.870 N/A CYS 432.A SG CYS 432.A O no hydrogen 2.614 N/A CYS 432.A SG ASP 435.A O no hydrogen 2.579 N/A GLY 433.A N THR 430.A O no hydrogen 2.845 N/A GLY 434.A N LEU 429.A O no hydrogen 2.739 N/A ASP 435.A N CYS 432.A O no hydrogen 3.222 N/A ARG 437.A N ASP 435.A OD1 no hydrogen 2.910 N/A ARG 437.A NE ASP 435.A OD1 no hydrogen 2.968 N/A ARG 437.A NE ASP 435.A OD2 no hydrogen 3.220 N/A ARG 437.A NH2 ASP 435.A OD2 no hydrogen 2.814 N/A LYS 438.A N ASP 435.A O no hydrogen 3.086 N/A LYS 438.A NZ ASP 435.A OD2 no hydrogen 2.753 N/A VAL 439.A N ASP 435.A O no hydrogen 3.423 N/A LYS 440.A N ILE 436.A O no hydrogen 2.961 N/A LYS 440.A NZ GLU 485.A OE1 no hydrogen 2.827 N/A LEU 441.A N ARG 437.A O no hydrogen 3.406 N/A LEU 442.A N LYS 438.A O no hydrogen 3.048 N/A PHE 443.A N VAL 439.A O no hydrogen 3.076 N/A LEU 444.A N LYS 440.A O no hydrogen 3.001 N/A PHE 445.A N LEU 441.A O no hydrogen 2.987 N/A GLN 446.A N LEU 442.A O no hydrogen 2.965 N/A LEU 447.A N PHE 443.A O no hydrogen 2.839 N/A THR 448.A N PHE 445.A O no hydrogen 3.182 N/A THR 448.A OG1 LEU 444.A O no hydrogen 2.820 N/A THR 448.A OG1 PHE 445.A O no hydrogen 3.096 N/A THR 448.A OG1 TYR 522.A OH no hydrogen 2.689 N/A PHE 449.A N GLN 446.A O no hydrogen 3.176 N/A THR 450.A OG1 GLY 506.A O no hydrogen 2.445 N/A GLY 451.A N ARG 504.A O no hydrogen 3.285 N/A SER 452.A N ALA 416.A O no hydrogen 2.661 N/A SER 452.A OG VAL 132.A O no hydrogen 2.851 N/A CYS 454.A N ASN 418.A O no hydrogen 3.178 N/A CYS 454.A SG ILE 455.A O no hydrogen 4.027 N/A ILE 455.A N TRP 137.A O no hydrogen 2.741 N/A TYR 456.A OH CYS 471.A O no hydrogen 2.892 N/A TYR 457.A N GLN 139.A O no hydrogen 2.980 N/A TYR 457.A OH LYS 473.A O no hydrogen 2.681 N/A ASP 459.A N TYR 456.A O no hydrogen 2.953 N/A GLU 460.A N GLU 460.A OE2 no hydrogen 2.635 N/A ILE 461.A N GLY 458.A O no hydrogen 3.097 N/A GLY 462.A N ASP 459.A O no hydrogen 3.407 N/A MET 463.A N GLY 458.A O no hydrogen 3.029 N/A GLY 465.A N THR 430.A OG1 no hydrogen 2.830 N/A GLY 466.A N GLU 470.A OE1 no hydrogen 2.591 N/A ASP 468.A N ASN 467.A OD1 no hydrogen 2.642 N/A GLU 470.A N ASN 467.A O no hydrogen 2.943 N/A CYS 471.A SG SER 422.A O no hydrogen 3.884 N/A CYS 471.A SG HIS 423.A O no hydrogen 3.188 N/A CYS 471.A SG THR 425.A O no hydrogen 3.263 N/A ARG 472.A N PRO 469.A O no hydrogen 2.782 N/A ARG 472.A NE HIS 423.A O no hydrogen 3.048 N/A ARG 472.A NH2 HIS 423.A O no hydrogen 3.019 N/A LYS 473.A NZ THR 464.A O no hydrogen 3.055 N/A LYS 473.A NZ THR 464.A OG1 no hydrogen 3.265 N/A MET 475.A N ARG 144.A O no hydrogen 2.723 N/A TRP 477.A NE1 PHE 145.A O no hydrogen 2.787 N/A MET 480.A N ASP 478.A OD1 no hydrogen 3.477 N/A GLN 481.A N ASP 478.A O no hydrogen 2.763 N/A GLN 482.A NE2 VAL 476.A O no hydrogen 2.930 N/A ASN 483.A N ILE 461.A O no hydrogen 2.924 N/A LEU 486.A N ASN 483.A OD1 no hydrogen 2.851 N/A HIS 487.A N ASN 483.A O no hydrogen 3.213 N/A GLN 488.A N LYS 484.A O no hydrogen 3.020 N/A HIS 489.A N GLU 485.A O no hydrogen 2.976 N/A HIS 489.A NE2 LYS 440.A O no hydrogen 2.895 N/A VAL 490.A N LEU 486.A O no hydrogen 2.852 N/A LYS 491.A N HIS 487.A O no hydrogen 3.046 N/A LYS 491.A NZ ASP 187.A O no hydrogen 2.803 N/A LYS 491.A NZ ASP 187.A OD1 no hydrogen 2.973 N/A GLN 492.A N GLN 488.A O no hydrogen 2.865 N/A LEU 493.A N HIS 489.A O no hydrogen 2.988 N/A ILE 494.A N VAL 490.A O no hydrogen 2.917 N/A ALA 495.A N LYS 491.A O no hydrogen 3.057 N/A LEU 496.A N GLN 492.A O no hydrogen 3.037 N/A ARG 497.A N LEU 493.A O no hydrogen 2.819 N/A ARG 497.A NH1 LEU 447.A O no hydrogen 2.803 N/A ARG 497.A NH1 PHE 449.A O no hydrogen 3.000 N/A ARG 497.A NH2 PHE 449.A O no hydrogen 2.978 N/A ARG 497.A NH2 GLY 451.A O no hydrogen 3.033 N/A LYS 498.A N ILE 494.A O no hydrogen 3.033 N/A GLN 499.A N ALA 495.A O no hydrogen 3.148 N/A GLN 499.A N LEU 496.A O no hydrogen 2.919 N/A TYR 500.A N LEU 496.A O no hydrogen 2.935 N/A ARG 501.A NH1 ASP 526.A OD2 no hydrogen 3.108 N/A SER 502.A N GLU 529.A OE1 no hydrogen 2.823 N/A SER 502.A OG GLU 529.A OE1 no hydrogen 2.733 N/A LEU 503.A N TYR 500.A O no hydrogen 3.062 N/A ARG 504.A NE ARG 497.A O no hydrogen 2.734 N/A ARG 504.A NH1 ASP 134.A OD1 no hydrogen 2.739 N/A ARG 505.A N ARG 501.A O no hydrogen 2.806 N/A ARG 505.A NE ASP 134.A OD1 no hydrogen 2.991 N/A ARG 505.A NH1 ASP 130.A OD2 no hydrogen 3.165 N/A ARG 505.A NH2 ASP 130.A OD1 no hydrogen 3.174 N/A ARG 505.A NH2 ASP 130.A OD2 no hydrogen 3.466 N/A ARG 505.A NH2 ASP 134.A OD1 no hydrogen 3.389 N/A ARG 505.A NH2 ASP 134.A OD2 no hydrogen 2.855 N/A GLY 506.A N SER 502.A O no hydrogen 3.018 N/A GLU 507.A N THR 525.A O no hydrogen 2.734 N/A SER 509.A N LYS 523.A O no hydrogen 3.008 N/A LEU 511.A N ILE 521.A O no hydrogen 2.881 N/A ASN 518.A N ASP 515.A OD2 no hydrogen 2.999 N/A LEU 520.A N ILE 535.A O no hydrogen 3.060 N/A TYR 522.A N VAL 533.A O no hydrogen 2.977 N/A TYR 522.A OH THR 448.A OG1 no hydrogen 2.689 N/A LYS 523.A N SER 509.A O no hydrogen 2.822 N/A LYS 524.A N VAL 531.A O no hydrogen 2.903 N/A LYS 524.A NZ THR 448.A O no hydrogen 2.733 N/A LYS 524.A NZ THR 450.A OG1 no hydrogen 2.961 N/A LYS 524.A NZ SER 502.A O no hydrogen 2.847 N/A THR 525.A N GLU 507.A O no hydrogen 3.030 N/A THR 525.A OG1 GLU 529.A O no hydrogen 3.118 N/A THR 525.A OG1 THR 530.A OG1 no hydrogen 3.118 N/A ASP 526.A N GLU 529.A O no hydrogen 3.375 N/A ASP 528.A N ASP 526.A OD1 no hydrogen 2.867 N/A GLU 529.A N ASP 526.A OD1 no hydrogen 2.905 N/A THR 530.A OG1 THR 525.A OG1 no hydrogen 3.118 N/A VAL 531.A N LYS 524.A O no hydrogen 2.884 N/A LEU 532.A N TYR 583.A O no hydrogen 2.707 N/A VAL 533.A N TYR 522.A O no hydrogen 2.795 N/A ILE 534.A N VAL 581.A O no hydrogen 3.043 N/A ILE 535.A N LEU 520.A O no hydrogen 2.800 N/A ASN 536.A N GLY 579.A O no hydrogen 2.937 N/A ASN 536.A ND2 GLN 540.A O no hydrogen 2.827 N/A ASN 536.A ND2 LEU 575.A O no hydrogen 3.690 N/A ASN 536.A ND2 PRO 576.A O no hydrogen 2.956 N/A ARG 537.A N ASN 518.A O no hydrogen 2.930 N/A ARG 537.A NE ARG 537.A O no hydrogen 3.015 N/A ARG 537.A NH1 PHE 386.A O no hydrogen 2.883 N/A ARG 537.A NH1 ILE 392.A O no hydrogen 2.928 N/A ARG 537.A NH2 ASN 518.A OD1 no hydrogen 2.800 N/A SER 538.A N ASN 536.A O no hydrogen 2.954 N/A SER 538.A OG ASN 536.A OD1 no hydrogen 2.702 N/A SER 538.A OG GLN 540.A O no hydrogen 3.125 N/A ALA 542.A N LEU 575.A O no hydrogen 2.766 N/A ILE 544.A N THR 573.A O no hydrogen 2.716 N/A ILE 546.A N LEU 571.A O no hydrogen 2.968 N/A ARG 551.A N ASP 549.A OD2 no hydrogen 3.082 N/A ARG 551.A NH2 ALA 550.A O no hydrogen 3.087 N/A THR 553.A OG1 ASP 549.A O no hydrogen 2.829 N/A THR 553.A OG1 ARG 551.A O no hydrogen 3.485 N/A TRP 554.A N GLU 586.A O no hydrogen 2.807 N/A LEU 555.A N PHE 564.A O no hydrogen 2.865 N/A VAL 556.A N ALA 584.A O no hydrogen 3.091 N/A ASN 557.A N GLU 562.A O no hydrogen 2.806 N/A LEU 558.A N LEU 582.A O no hydrogen 2.954 N/A LEU 559.A N ASN 557.A OD1 no hydrogen 2.763 N/A THR 560.A N ASN 557.A OD1 no hydrogen 2.990 N/A GLY 561.A N ASN 557.A O no hydrogen 2.640 N/A GLU 562.A N THR 560.A OG1 no hydrogen 3.293 N/A ARG 563.A NH1 GLU 586.A OE1 no hydrogen 3.137 N/A ARG 563.A NH1 GLU 586.A OE2 no hydrogen 2.588 N/A ARG 563.A NH2 GLU 586.A OE1 no hydrogen 2.838 N/A PHE 564.A N LEU 555.A O no hydrogen 3.005 N/A ALA 566.A N THR 553.A O no hydrogen 3.139 N/A ALA 568.A N GLU 567.A OE2 no hydrogen 3.125 N/A THR 570.A OG1 ILE 546.A O no hydrogen 3.347 N/A THR 573.A N ILE 544.A O no hydrogen 2.899 N/A SER 574.A OG ASP 543.A OD2 no hydrogen 2.926 N/A LEU 575.A N ALA 542.A O no hydrogen 2.807 N/A TYR 578.A N SER 538.A O no hydrogen 2.939 N/A TYR 578.A OH GLU 390.A OE1 no hydrogen 2.610 N/A TYR 578.A OH GLU 390.A OE2 no hydrogen 3.392 N/A GLY 579.A N PRO 576.A O no hydrogen 2.825 N/A VAL 581.A N ILE 534.A O no hydrogen 3.014 N/A TYR 583.A N LEU 532.A O no hydrogen 2.883 N/A ALA 584.A N VAL 556.A O no hydrogen 2.944 N/A ILE 585.A N THR 530.A O no hydrogen 2.746 N/A GLU 586.A N TRP 554.A O no hydrogen 2.801 N/A TRP 588.A N GLY 552.A O no hydrogen 2.827 N/A TRP 588.A NE1 GLU 586.A OE1 no hydrogen 2.815 N/A