Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2zux_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ASN 578.A O no hydrogen 3.011 N/A ARG 2.A NH1 ASP 338.A OD1 no hydrogen 3.324 N/A ARG 2.A NH1 ASP 338.A OD2 no hydrogen 2.901 N/A ARG 2.A NH2 GLY 336.A O no hydrogen 2.972 N/A ARG 2.A NH2 ASP 338.A OD1 no hydrogen 2.685 N/A GLN 3.A N GLN 277.A O no hydrogen 2.855 N/A GLN 3.A NE2 ASP 184.A O no hydrogen 2.945 N/A MET 4.A N TYR 580.A O no hydrogen 2.815 N/A ASN 8.A N GLY 125.A O no hydrogen 3.006 N/A ARG 9.A N GLU 81.A OE1 no hydrogen 3.195 N/A ARG 9.A NH1 ARG 25.A O no hydrogen 2.808 N/A ARG 9.A NH1 GLU 30.A OE1 no hydrogen 2.906 N/A ARG 9.A NH1 GLU 30.A OE2 no hydrogen 3.315 N/A ARG 9.A NH2 GLU 30.A OE2 no hydrogen 2.755 N/A GLY 10.A N ASN 8.A OD1 no hydrogen 2.861 N/A LEU 11.A N GLU 81.A OE2 no hydrogen 3.061 N/A VAL 12.A N SER 23.A O no hydrogen 2.940 N/A VAL 14.A N PHE 21.A O no hydrogen 2.750 N/A LYS 15.A N TRP 86.A O no hydrogen 3.069 N/A LYS 15.A NZ ALA 87.A O no hydrogen 2.998 N/A THR 16.A N GLY 19.A O no hydrogen 2.940 N/A THR 16.A OG1 GLY 19.A O no hydrogen 2.568 N/A GLY 18.A N THR 16.A OG1 no hydrogen 3.240 N/A GLY 19.A N THR 16.A O no hydrogen 3.220 N/A ILE 20.A N ASP 57.A O no hydrogen 2.774 N/A PHE 21.A N VAL 14.A O no hydrogen 2.796 N/A VAL 22.A N TYR 55.A O no hydrogen 2.797 N/A SER 23.A N VAL 12.A O no hydrogen 3.004 N/A TRP 24.A N THR 53.A O no hydrogen 3.017 N/A ARG 25.A N ARG 9.A O no hydrogen 2.859 N/A ARG 25.A NH1 ASN 8.A O no hydrogen 2.968 N/A ARG 25.A NH1 GLY 125.A O no hydrogen 3.181 N/A LEU 27.A N GLU 30.A OE1 no hydrogen 2.948 N/A GLU 30.A N LEU 27.A O no hydrogen 2.843 N/A VAL 34.A N ASN 31.A O no hydrogen 3.133 N/A LEU 35.A N VAL 71.A O no hydrogen 3.203 N/A PHE 36.A N VAL 50.A O no hydrogen 2.808 N/A ASN 37.A N ARG 69.A O no hydrogen 2.830 N/A ASN 37.A ND2 GLU 76.A OE2 no hydrogen 2.914 N/A VAL 38.A N ASN 46.A OD1 no hydrogen 2.862 N/A TYR 39.A N THR 67.A O no hydrogen 2.906 N/A TYR 39.A OH GLU 76.A OE2 no hydrogen 2.498 N/A ARG 40.A N GLN 43.A O no hydrogen 2.867 N/A ARG 40.A NH1 ASP 57.A OD2 no hydrogen 2.921 N/A ASP 41.A N THR 65.A O no hydrogen 2.808 N/A GLN 43.A N ARG 40.A O no hydrogen 3.145 N/A LEU 45.A N VAL 38.A O no hydrogen 2.831 N/A ASN 46.A ND2 PHE 36.A O no hydrogen 3.317 N/A ASN 46.A ND2 ASN 37.A OD1 no hydrogen 2.949 N/A ASN 46.A ND2 ALA 48.A O no hydrogen 2.800 N/A VAL 50.A N PHE 36.A O no hydrogen 2.756 N/A THR 52.A OG1 ASN 54.A OD1 no hydrogen 3.366 N/A THR 52.A OG1 THR 533.A O no hydrogen 3.476 N/A THR 52.A OG1 HIS 535.A O no hydrogen 3.550 N/A THR 53.A OG1 TRP 24.A O no hydrogen 2.818 N/A TYR 55.A N VAL 22.A O no hydrogen 2.796 N/A ASP 57.A N ILE 20.A O no hydrogen 2.832 N/A ASN 59.A N ASP 57.A OD1 no hydrogen 3.101 N/A GLY 60.A N ASP 57.A O no hydrogen 3.464 N/A SER 61.A N SER 64.A OG no hydrogen 2.932 N/A SER 61.A OG SER 64.A OG no hydrogen 3.392 N/A GLY 63.A N SER 61.A OG no hydrogen 3.295 N/A SER 64.A N SER 61.A O no hydrogen 3.059 N/A SER 64.A OG SER 61.A O no hydrogen 3.249 N/A SER 64.A OG SER 61.A OG no hydrogen 3.392 N/A THR 65.A N ASP 41.A OD2 no hydrogen 3.143 N/A THR 65.A OG1 ASP 41.A OD1 no hydrogen 2.647 N/A TYR 66.A N ALA 83.A O no hydrogen 2.816 N/A TYR 66.A OH ASP 57.A OD2 no hydrogen 2.678 N/A THR 67.A N TYR 39.A O no hydrogen 3.018 N/A VAL 68.A N SER 80.A OG no hydrogen 2.930 N/A ARG 69.A N ASN 37.A O no hydrogen 2.934 N/A ARG 69.A NH1 GLU 76.A OE1 no hydrogen 3.159 N/A VAL 71.A N LEU 35.A O no hydrogen 2.710 N/A VAL 72.A N THR 75.A O no hydrogen 2.897 N/A THR 75.A N VAL 72.A O no hydrogen 2.821 N/A GLN 77.A N ALA 70.A O no hydrogen 2.731 N/A GLN 77.A NE2 THR 75.A O no hydrogen 3.128 N/A SER 80.A N VAL 68.A O no hydrogen 2.846 N/A SER 80.A OG VAL 68.A O no hydrogen 3.427 N/A SER 80.A OG GLU 81.A O no hydrogen 2.885 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.827 N/A ALA 83.A N TYR 66.A O no hydrogen 2.846 N/A TRP 86.A N ALA 13.A O no hydrogen 2.780 N/A HIS 91.A N ILE 526.A O no hydrogen 2.848 N/A VAL 93.A N LEU 524.A O no hydrogen 2.746 N/A LEU 95.A N SER 522.A O no hydrogen 2.861 N/A ASP 96.A N TYR 155.A OH no hydrogen 2.994 N/A LYS 97.A NZ ASP 520.A O no hydrogen 2.785 N/A GLY 101.A N TYR 109.A O no hydrogen 3.002 N/A THR 103.A N GLU 107.A O no hydrogen 2.875 N/A LYS 105.A N THR 103.A OG1 no hydrogen 3.143 N/A GLY 106.A N THR 103.A O no hydrogen 2.952 N/A GLU 107.A N THR 103.A OG1 no hydrogen 3.302 N/A TYR 109.A N GLY 101.A O no hydrogen 2.935 N/A THR 110.A N SER 136.A OG no hydrogen 2.985 N/A TYR 111.A OH ASP 149.A O no hydrogen 2.619 N/A SER 112.A N ASP 134.A O no hydrogen 3.041 N/A ALA 113.A N SER 521.A OG no hydrogen 2.937 N/A ASN 114.A N LYS 132.A O no hydrogen 2.854 N/A ALA 116.A N THR 501.A O no hydrogen 2.917 N/A SER 117.A N ILE 130.A O no hydrogen 2.831 N/A GLY 119.A N GLU 128.A O no hydrogen 3.248 N/A VAL 121.A N GLU 128.A OE1 no hydrogen 2.804 N/A GLY 123.A N ASP 120.A OD1 no hydrogen 3.071 N/A GLY 125.A N ASP 120.A OD2 no hydrogen 2.737 N/A GLN 126.A N ASP 124.A OD1 no hydrogen 3.159 N/A TYR 127.A OH GLU 5.A OE1 no hydrogen 2.696 N/A GLU 128.A N GLY 119.A O no hydrogen 2.812 N/A LEU 129.A N TYR 155.A O no hydrogen 2.918 N/A ILE 130.A N SER 117.A O no hydrogen 2.899 N/A LEU 131.A N ASP 153.A O no hydrogen 2.815 N/A LYS 132.A N ASP 115.A O no hydrogen 2.857 N/A LYS 132.A NZ ASP 115.A OD2 no hydrogen 3.062 N/A TRP 133.A N LEU 151.A O no hydrogen 2.842 N/A TRP 133.A NE1 ASP 153.A OD2 no hydrogen 2.856 N/A ASP 134.A N SER 112.A O no hydrogen 2.893 N/A SER 136.A N THR 110.A O no hydrogen 2.762 N/A SER 136.A OG THR 110.A O no hydrogen 3.488 N/A ASN 137.A ND2 GLU 107.A OE1 no hydrogen 3.078 N/A SER 138.A N PRO 135.A O no hydrogen 3.018 N/A SER 138.A OG ASP 134.A OD1 no hydrogen 3.337 N/A SER 138.A OG ASP 134.A OD2 no hydrogen 2.638 N/A SER 138.A OG PRO 135.A O no hydrogen 3.382 N/A LYS 139.A N ALA 173.A O no hydrogen 2.910 N/A LYS 139.A NZ ASN 137.A O no hydrogen 2.777 N/A ASP 140.A N GLN 143.A OE1 no hydrogen 2.920 N/A SER 142.A N ASP 140.A OD2 no hydrogen 2.947 N/A SER 142.A OG ASP 140.A OD2 no hydrogen 2.659 N/A GLN 143.A N ASP 140.A O no hydrogen 2.964 N/A GLY 145.A N GLN 220.A O no hydrogen 2.700 N/A GLY 148.A N ASN 137.A OD1 no hydrogen 3.025 N/A ILE 152.A N ILE 165.A O no hydrogen 2.898 N/A ASP 153.A N LEU 131.A O no hydrogen 2.842 N/A ALA 154.A N TRP 163.A O no hydrogen 3.109 N/A TYR 155.A N LEU 129.A O no hydrogen 2.850 N/A TYR 155.A OH ASP 153.A OD2 no hydrogen 2.763 N/A LYS 156.A N THR 160.A O no hydrogen 2.885 N/A LYS 156.A NZ ASP 122.A OD2 no hydrogen 2.506 N/A LYS 156.A NZ GLU 128.A OE2 no hydrogen 3.356 N/A GLY 159.A N LYS 156.A O no hydrogen 2.947 N/A THR 160.A N ASP 158.A OD1 no hydrogen 2.933 N/A THR 160.A OG1 ASP 158.A OD1 no hydrogen 2.668 N/A THR 160.A OG1 ASP 158.A OD2 no hydrogen 3.395 N/A LYS 161.A NZ ASP 96.A OD2 no hydrogen 2.736 N/A LEU 162.A N ALA 154.A O no hydrogen 2.782 N/A TRP 163.A NE1 GLY 235.A O no hydrogen 2.730 N/A ARG 164.A NE ASP 153.A OD1 no hydrogen 2.787 N/A ARG 164.A NH2 ASP 96.A O no hydrogen 2.675 N/A ARG 164.A NH2 ASP 153.A OD2 no hydrogen 2.904 N/A ILE 165.A N ILE 152.A O no hydrogen 2.752 N/A ASN 166.A N LYS 202.A O no hydrogen 3.031 N/A ASN 166.A ND2 ASP 149.A OD2 no hydrogen 2.982 N/A LEU 167.A N VAL 150.A O no hydrogen 2.894 N/A GLY 168.A N ASN 166.A OD1 no hydrogen 2.816 N/A ILE 171.A N GLY 168.A O no hydrogen 3.227 N/A ARG 172.A NE GLY 221.A O no hydrogen 2.971 N/A ARG 172.A NH1 GLN 143.A O no hydrogen 3.121 N/A ARG 172.A NH1 TYR 177.A OH no hydrogen 2.896 N/A ARG 172.A NH2 GLN 143.A O no hydrogen 2.756 N/A ARG 172.A NH2 GLY 145.A O no hydrogen 2.826 N/A ALA 173.A N THR 147.A OG1 no hydrogen 2.983 N/A HIS 176.A NE2 TYR 557.A OH no hydrogen 3.246 N/A TYR 177.A N GLY 174.A O no hydrogen 3.251 N/A GLN 179.A NE2 ALA 175.A O no hydrogen 2.972 N/A GLN 179.A NE2 TYR 177.A O no hydrogen 3.135 N/A MET 181.A N ALA 194.A O no hydrogen 2.925 N/A TYR 183.A N GLU 192.A O no hydrogen 2.991 N/A TYR 183.A OH TYR 273.A OH no hydrogen 2.644 N/A ASP 186.A N GLU 192.A OE1 no hydrogen 3.293 N/A GLY 187.A N ASP 184.A OD1 no hydrogen 2.994 N/A ASP 188.A N ASP 184.A OD1 no hydrogen 3.310 N/A GLY 189.A N ASP 184.A OD2 no hydrogen 2.783 N/A LYS 190.A N ASP 188.A OD1 no hydrogen 3.066 N/A ALA 191.A N ASP 120.A O no hydrogen 2.865 N/A GLU 192.A N TYR 183.A O no hydrogen 2.857 N/A VAL 193.A N PHE 233.A O no hydrogen 2.962 N/A ALA 194.A N MET 181.A O no hydrogen 2.811 N/A MET 195.A N THR 231.A O no hydrogen 3.132 N/A LYS 196.A NZ GLU 228.A OE2 no hydrogen 2.830 N/A THR 197.A N TYR 229.A O no hydrogen 2.846 N/A THR 197.A OG1 THR 231.A OG1 no hydrogen 2.781 N/A ALA 198.A N THR 201.A OG1 no hydrogen 3.010 N/A GLY 200.A N ILE 209.A O no hydrogen 2.994 N/A THR 201.A N ALA 198.A O no hydrogen 2.999 N/A THR 201.A OG1 LEU 167.A O no hydrogen 2.734 N/A THR 201.A OG1 ALA 198.A O no hydrogen 3.107 N/A LYS 202.A N ASN 166.A O no hydrogen 2.785 N/A ASP 203.A N LYS 207.A O no hydrogen 2.830 N/A GLY 204.A N GLY 238.A O no hydrogen 2.779 N/A THR 205.A N ASP 203.A OD1 no hydrogen 2.828 N/A THR 205.A OG1 ASP 203.A OD1 no hydrogen 2.739 N/A GLY 206.A N ASP 203.A O no hydrogen 2.952 N/A LYS 207.A N ASP 203.A OD1 no hydrogen 3.051 N/A LYS 207.A NZ GLU 240.A OE1 no hydrogen 2.795 N/A ILE 209.A N THR 201.A O no hydrogen 2.714 N/A ASN 211.A N ASP 199.A OD1 no hydrogen 2.777 N/A ALA 214.A N ASN 211.A O no hydrogen 3.150 N/A ARG 217.A N ASP 215.A OD1 no hydrogen 3.089 N/A ARG 217.A NE ASP 215.A OD1 no hydrogen 3.007 N/A ARG 217.A NH2 ASP 215.A OD2 no hydrogen 2.906 N/A ASN 218.A N ARG 222.A O no hydrogen 2.802 N/A ASN 218.A ND2 GLN 220.A OE1 no hydrogen 2.919 N/A GLN 220.A N ASN 218.A OD1 no hydrogen 2.869 N/A GLN 220.A NE2 ASP 144.A OD1 no hydrogen 3.005 N/A GLN 220.A NE2 TYR 260.A O no hydrogen 3.039 N/A GLY 221.A N ASN 218.A O no hydrogen 2.915 N/A ARG 222.A N ASN 218.A OD1 no hydrogen 3.128 N/A ARG 222.A NE ASP 144.A OD1 no hydrogen 2.977 N/A ARG 222.A NH1 ASN 141.A O no hydrogen 2.808 N/A ARG 222.A NH2 ASN 141.A O no hydrogen 2.854 N/A ARG 222.A NH2 ASP 144.A OD1 no hydrogen 2.915 N/A TYR 229.A N THR 197.A O no hydrogen 2.960 N/A TYR 229.A OH ASP 199.A OD1 no hydrogen 2.696 N/A LEU 230.A N ALA 244.A O no hydrogen 2.815 N/A THR 231.A N MET 195.A O no hydrogen 3.083 N/A THR 231.A OG1 THR 197.A OG1 no hydrogen 2.781 N/A THR 231.A OG1 THR 243.A OG1 no hydrogen 2.767 N/A VAL 232.A N VAL 242.A O no hydrogen 2.960 N/A PHE 233.A N VAL 193.A O no hydrogen 2.720 N/A GLN 234.A N LYS 239.A O no hydrogen 2.780 N/A THR 237.A OG1 GLN 234.A OE1 no hydrogen 2.628 N/A GLY 238.A N GLN 234.A O no hydrogen 2.756 N/A LYS 239.A N THR 237.A OG1 no hydrogen 3.089 N/A GLU 240.A N ASP 203.A OD2 no hydrogen 2.887 N/A LEU 241.A N VAL 232.A O no hydrogen 2.843 N/A VAL 242.A N VAL 232.A O no hydrogen 3.411 N/A THR 243.A OG1 THR 231.A OG1 no hydrogen 2.767 N/A THR 243.A OG1 GLU 240.A OE2 no hydrogen 2.606 N/A ALA 244.A N LEU 230.A O no hydrogen 2.920 N/A PHE 246.A N GLU 228.A O no hydrogen 2.753 N/A GLU 247.A N TYR 296.A OH no hydrogen 3.047 N/A ARG 250.A NH1 GLY 226.A O no hydrogen 2.916 N/A ARG 250.A NH2 VAL 223.A O no hydrogen 3.511 N/A ASN 252.A N ASP 255.A OD2 no hydrogen 2.990 N/A ASP 255.A N ASN 252.A O no hydrogen 2.904 N/A TRP 256.A N VAL 253.A O no hydrogen 3.159 N/A TRP 256.A NE1 ARG 250.A O no hydrogen 2.770 N/A GLY 257.A N SER 254.A O no hydrogen 3.255 N/A GLY 261.A N ASP 258.A OD1 no hydrogen 2.961 N/A ASN 262.A N ASP 258.A OD1 no hydrogen 2.979 N/A ASN 262.A ND2 TYR 260.A OH no hydrogen 2.921 N/A ARG 263.A N ASP 258.A OD2 no hydrogen 2.871 N/A ARG 263.A NH1 ASP 258.A OD2 no hydrogen 2.935 N/A ASP 265.A N ASN 262.A O no hydrogen 3.138 N/A ARG 266.A NE ASN 262.A OD1 no hydrogen 2.932 N/A ARG 266.A NH2 ASN 262.A OD1 no hydrogen 3.027 N/A PHE 267.A N HIS 176.A O no hydrogen 3.149 N/A LEU 268.A N THR 284.A O no hydrogen 3.440 N/A GLY 270.A N ILE 282.A O no hydrogen 2.938 N/A ALA 272.A N SER 280.A O no hydrogen 2.956 N/A TYR 273.A N ASP 338.A OD2 no hydrogen 2.738 N/A TYR 273.A OH GLN 3.A O no hydrogen 2.567 N/A TYR 273.A OH TYR 183.A OH no hydrogen 2.644 N/A GLY 276.A N TYR 273.A O no hydrogen 3.041 N/A GLN 277.A N ASP 275.A OD1 no hydrogen 2.877 N/A GLN 277.A NE2 TYR 580.A OH no hydrogen 3.165 N/A ARG 278.A N ASP 275.A OD1 no hydrogen 2.845 N/A ARG 278.A NH2 ASP 186.A O no hydrogen 3.045 N/A SER 280.A N ALA 272.A O no hydrogen 2.752 N/A SER 280.A OG ASN 297.A OD1 no hydrogen 2.656 N/A LEU 281.A N TYR 296.A O no hydrogen 2.793 N/A ILE 282.A N GLY 270.A O no hydrogen 2.771 N/A MET 283.A N VAL 294.A O no hydrogen 2.916 N/A THR 284.A N LEU 268.A O no hydrogen 2.992 N/A ARG 285.A N MET 292.A O no hydrogen 2.901 N/A ARG 285.A NE VAL 264.A O no hydrogen 2.745 N/A ARG 285.A NH1 GLU 228.A OE1 no hydrogen 2.837 N/A ARG 285.A NH1 GLU 228.A OE2 no hydrogen 3.335 N/A ARG 285.A NH1 PRO 248.A O no hydrogen 2.944 N/A ARG 285.A NH2 GLU 228.A OE2 no hydrogen 2.931 N/A ARG 285.A NH2 ASP 265.A OD1 no hydrogen 3.168 N/A GLY 286.A N ARG 266.A O no hydrogen 2.802 N/A TYR 287.A OH HIS 325.A ND1 no hydrogen 2.853 N/A THR 291.A N SER 311.A OG no hydrogen 2.872 N/A THR 291.A OG1 ALA 289.A O no hydrogen 2.910 N/A MET 292.A N ARG 285.A O no hydrogen 2.865 N/A LEU 293.A N LEU 309.A O no hydrogen 2.917 N/A VAL 294.A N MET 283.A O no hydrogen 2.853 N/A ALA 295.A N TRP 307.A O no hydrogen 3.077 N/A TYR 296.A N LEU 281.A O no hydrogen 2.794 N/A TYR 296.A OH GLU 247.A O no hydrogen 2.641 N/A ASN 297.A N SER 304.A O no hydrogen 2.844 N/A ARG 299.A N LYS 302.A O no hydrogen 3.062 N/A ARG 299.A NH1 ASP 275.A OD2 no hydrogen 2.940 N/A ARG 299.A NH2 ASP 275.A OD2 no hydrogen 3.253 N/A ARG 299.A NH2 PRO 279.A O no hydrogen 3.012 N/A LYS 302.A N ARG 299.A O no hydrogen 2.927 N/A SER 304.A N ASN 297.A O no hydrogen 2.894 N/A LYS 305.A NZ GLU 247.A OE1 no hydrogen 2.738 N/A LEU 306.A N ALA 295.A O no hydrogen 2.744 N/A TRP 307.A NE1 HIS 349.A O no hydrogen 2.975 N/A LEU 309.A N LEU 293.A O no hydrogen 2.825 N/A SER 311.A N THR 291.A O no hydrogen 2.932 N/A SER 311.A OG THR 291.A O no hydrogen 3.326 N/A SER 312.A N ASP 310.A OD1 no hydrogen 2.905 N/A SER 312.A OG ASP 310.A OD1 no hydrogen 2.677 N/A SER 312.A OG ASP 310.A OD2 no hydrogen 3.289 N/A LYS 313.A N ASP 310.A O no hydrogen 3.145 N/A LYS 313.A NZ ASP 310.A OD2 no hydrogen 3.553 N/A GLY 315.A N GLU 317.A OE1 no hydrogen 3.040 N/A GLY 315.A N GLU 317.A OE2 no hydrogen 3.268 N/A ASN 316.A N LYS 313.A O no hydrogen 2.957 N/A ASN 316.A ND2 ASP 310.A O no hydrogen 3.118 N/A GLU 317.A N GLU 317.A OE1 no hydrogen 2.820 N/A PHE 319.A N ASN 316.A O no hydrogen 2.938 N/A ALA 320.A N GLU 317.A O no hydrogen 3.343 N/A GLY 321.A N ALA 289.A O no hydrogen 3.110 N/A GLN 322.A NE2 ALA 320.A O no hydrogen 3.056 N/A ASN 324.A ND2 ALA 364.A O no hydrogen 3.007 N/A HIS 325.A N GLY 362.A O no hydrogen 3.357 N/A HIS 325.A ND1 TYR 287.A OH no hydrogen 2.853 N/A SER 328.A N ILE 341.A O no hydrogen 2.944 N/A SER 328.A OG THR 367.A OG1 no hydrogen 3.040 N/A ALA 330.A N GLU 339.A O no hydrogen 3.077 N/A VAL 332.A N GLU 339.A OE1 no hydrogen 2.907 N/A GLY 334.A N ASP 331.A OD1 no hydrogen 3.029 N/A ASP 335.A N ASP 333.A OD1 no hydrogen 3.397 N/A GLY 336.A N ASP 331.A OD2 no hydrogen 2.816 N/A LYS 337.A N ASP 335.A OD1 no hydrogen 2.899 N/A ASP 338.A N TYR 273.A O no hydrogen 2.938 N/A GLU 339.A N ALA 330.A O no hydrogen 2.836 N/A ILE 340.A N VAL 347.A O no hydrogen 2.913 N/A ILE 341.A N SER 328.A O no hydrogen 2.815 N/A PHE 342.A N MET 345.A O no hydrogen 2.816 N/A SER 344.A N GLN 322.A O no hydrogen 2.896 N/A SER 344.A OG GLY 360.A O no hydrogen 2.742 N/A SER 344.A OG HIS 383.A NE2 no hydrogen 3.287 N/A MET 345.A N PHE 342.A O no hydrogen 3.138 N/A ALA 346.A N TYR 355.A O no hydrogen 3.090 N/A VAL 347.A N ILE 340.A O no hydrogen 2.913 N/A ASP 348.A N LYS 352.A O no hydrogen 2.766 N/A HIS 349.A N ASP 348.A OD1 no hydrogen 2.887 N/A GLY 351.A N ASP 348.A O no hydrogen 2.935 N/A LYS 352.A N ASP 350.A OD1 no hydrogen 3.158 N/A MET 354.A N ALA 346.A O no hydrogen 2.823 N/A TYR 355.A OH ALA 397.A O no hydrogen 2.731 N/A SER 356.A OG ALA 318.A O no hydrogen 3.454 N/A THR 357.A N SER 344.A O no hydrogen 2.844 N/A THR 357.A OG1 SER 344.A O no hydrogen 3.437 N/A GLY 358.A N SER 356.A OG no hydrogen 3.040 N/A LEU 359.A N THR 357.A OG1 no hydrogen 3.276 N/A GLY 360.A N GLN 322.A OE1 no hydrogen 2.931 N/A HIS 361.A ND1 GLY 323.A O no hydrogen 2.771 N/A GLY 362.A N ASN 324.A OD1 no hydrogen 2.864 N/A LEU 365.A N GLN 559.A OE1 no hydrogen 3.263 N/A HIS 366.A N PHE 380.A O no hydrogen 2.849 N/A THR 367.A OG1 SER 328.A OG no hydrogen 3.040 N/A GLY 368.A N GLU 378.A O no hydrogen 3.178 N/A LEU 370.A N GLU 378.A OE1 no hydrogen 2.998 N/A ASP 371.A N GLU 378.A OE1 no hydrogen 2.873 N/A GLY 373.A N ASP 371.A OD1 no hydrogen 3.010 N/A ARG 374.A N ASP 371.A O no hydrogen 3.136 N/A ARG 374.A NE GLU 378.A OE2 no hydrogen 2.810 N/A ARG 374.A NH1 LEU 377.A O no hydrogen 2.998 N/A ARG 374.A NH1 GLU 378.A OE2 no hydrogen 3.238 N/A ARG 374.A NH2 ASP 396.A OD2 no hydrogen 2.622 N/A GLU 378.A N GLY 368.A O no hydrogen 2.907 N/A VAL 379.A N ARG 395.A O no hydrogen 2.959 N/A PHE 380.A N HIS 366.A O no hydrogen 2.850 N/A GLN 381.A N SER 393.A O no hydrogen 2.946 N/A GLN 381.A NE2 ASN 324.A OD1 no hydrogen 2.867 N/A GLN 381.A NE2 SER 344.A OG no hydrogen 3.029 N/A VAL 382.A N ALA 364.A O no hydrogen 3.467 N/A HIS 383.A N GLY 391.A O no hydrogen 2.953 N/A GLU 384.A N HIS 361.A O no hydrogen 2.965 N/A ASN 387.A N ASP 385.A OD1 no hydrogen 2.948 N/A ALA 388.A N ASP 385.A O no hydrogen 3.026 N/A GLY 391.A N VAL 406.A O no hydrogen 2.788 N/A LEU 392.A N VAL 406.A O no hydrogen 3.392 N/A SER 393.A N GLN 381.A O no hydrogen 2.828 N/A PHE 394.A N TRP 404.A O no hydrogen 2.909 N/A ARG 395.A N VAL 379.A O no hydrogen 2.942 N/A ARG 395.A NE TYR 355.A OH no hydrogen 2.937 N/A ARG 395.A NH1 GLY 343.A O no hydrogen 3.070 N/A ARG 395.A NH1 GLN 381.A OE1 no hydrogen 2.883 N/A ARG 395.A NH2 GLY 343.A O no hydrogen 2.830 N/A ARG 395.A NH2 TYR 355.A OH no hydrogen 3.204 N/A ASP 396.A N LYS 401.A O no hydrogen 2.920 N/A ALA 397.A N LEU 377.A O no hydrogen 3.030 N/A ALA 398.A N ASP 396.A OD1 no hydrogen 2.900 N/A THR 399.A N ASP 396.A OD1 no hydrogen 2.970 N/A GLY 400.A N ASP 396.A O no hydrogen 2.874 N/A LYS 401.A N THR 399.A OG1 no hydrogen 3.131 N/A LEU 403.A N PHE 394.A O no hydrogen 2.819 N/A TRP 404.A N PHE 394.A O no hydrogen 3.211 N/A TRP 404.A NE1 ALA 438.A O no hydrogen 2.959 N/A VAL 406.A N LEU 392.A O no hydrogen 3.060 N/A LYS 410.A NZ ASN 432.A OD1 no hydrogen 3.486 N/A VAL 412.A N HIS 383.A O no hydrogen 3.015 N/A ARG 414.A NH1 THR 451.A O no hydrogen 3.103 N/A ARG 414.A NH2 THR 496.A O no hydrogen 2.881 N/A MET 416.A N TRP 430.A O no hydrogen 2.896 N/A ALA 418.A N GLU 428.A O no hydrogen 2.913 N/A ILE 420.A N GLU 428.A OE1 no hydrogen 2.856 N/A ASP 421.A N GLU 428.A OE1 no hydrogen 2.859 N/A ARG 423.A N ASP 421.A OD1 no hydrogen 2.936 N/A ARG 423.A NE ASP 421.A OD1 no hydrogen 2.963 N/A ARG 423.A NE ASP 421.A OD2 no hydrogen 3.422 N/A ARG 423.A NH2 ASP 421.A OD2 no hydrogen 2.829 N/A TYR 424.A N ASP 421.A O no hydrogen 3.430 N/A GLN 427.A N LEU 370.A O no hydrogen 2.832 N/A GLN 427.A NE2 ASP 369.A O no hydrogen 3.160 N/A VAL 429.A N TYR 436.A O no hydrogen 2.915 N/A TRP 430.A N MET 416.A O no hydrogen 2.971 N/A TRP 430.A NE1 SER 450.A O no hydrogen 2.882 N/A ALA 431.A N SER 434.A O no hydrogen 3.129 N/A SER 434.A N ALA 431.A O no hydrogen 3.186 N/A TYR 436.A N VAL 429.A O no hydrogen 2.765 N/A SER 437.A N VAL 441.A O no hydrogen 2.853 N/A LYS 439.A N SER 437.A OG no hydrogen 3.122 N/A LYS 439.A NZ ASP 371.A OD1 no hydrogen 3.534 N/A LYS 439.A NZ ASP 371.A OD2 no hydrogen 2.727 N/A GLY 440.A N SER 437.A O no hydrogen 2.888 N/A VAL 441.A N SER 437.A OG no hydrogen 3.211 N/A LYS 442.A NZ SER 434.A OG no hydrogen 2.864 N/A LYS 442.A NZ GLY 444.A O no hydrogen 3.559 N/A ILE 443.A N LEU 435.A O no hydrogen 2.788 N/A SER 449.A N SER 481.A OG no hydrogen 2.895 N/A ASN 452.A ND2 ASP 467.A OD1 no hydrogen 2.852 N/A ASN 452.A ND2 ALA 498.A O no hydrogen 3.101 N/A PHE 453.A N LEU 466.A O no hydrogen 3.125 N/A ILE 455.A N GLU 464.A O no hydrogen 2.829 N/A TRP 456.A N GLU 512.A OE1 no hydrogen 2.850 N/A TRP 457.A N GLU 464.A OE1 no hydrogen 2.938 N/A ASP 458.A N GLU 464.A OE1 no hydrogen 3.016 N/A ASP 460.A N ASP 458.A OD1 no hydrogen 3.009 N/A ARG 463.A N ASP 419.A O no hydrogen 2.809 N/A ARG 463.A NH1 PRO 561.A O no hydrogen 2.855 N/A ARG 463.A NH2 GLU 512.A OE1 no hydrogen 2.960 N/A ARG 463.A NH2 GLU 512.A OE2 no hydrogen 3.407 N/A ARG 463.A NH2 PRO 561.A O no hydrogen 2.838 N/A GLU 464.A N ILE 455.A O no hydrogen 2.722 N/A GLN 465.A N ASP 472.A O no hydrogen 2.871 N/A LEU 466.A N PHE 453.A O no hydrogen 2.960 N/A ASP 467.A N ARG 470.A O no hydrogen 3.071 N/A SER 468.A N ALA 498.A O no hydrogen 3.060 N/A ASN 469.A ND2 ALA 487.A O no hydrogen 2.972 N/A ASN 469.A ND2 ALA 490.A O no hydrogen 3.386 N/A ARG 470.A N ASP 467.A O no hydrogen 2.868 N/A ILE 471.A N LEU 485.A O no hydrogen 2.923 N/A ASP 472.A N GLN 465.A O no hydrogen 2.807 N/A LYS 473.A N LYS 482.A O no hydrogen 2.761 N/A LYS 473.A NZ ASP 458.A OD2 no hydrogen 2.858 N/A LYS 473.A NZ ASP 460.A OD1 no hydrogen 3.223 N/A LYS 473.A NZ ASP 460.A OD2 no hydrogen 2.779 N/A LYS 473.A NZ GLU 464.A OE2 no hydrogen 2.795 N/A ASP 475.A N VAL 480.A O no hydrogen 2.775 N/A ASN 478.A N ASP 475.A OD1 no hydrogen 3.057 N/A GLY 479.A N ASP 475.A O no hydrogen 2.733 N/A VAL 480.A N ASP 475.A O no hydrogen 3.244 N/A LYS 482.A N LYS 473.A O no hydrogen 2.860 N/A MET 484.A N ILE 471.A O no hydrogen 2.759 N/A LEU 485.A N ILE 471.A O no hydrogen 3.008 N/A ALA 487.A N ASN 469.A O no hydrogen 2.881 N/A SER 488.A N THR 486.A O no hydrogen 3.034 N/A ALA 490.A N ALA 487.A O no hydrogen 2.982 N/A ALA 491.A N ARG 517.A O no hydrogen 2.853 N/A ASN 493.A N THR 499.A O no hydrogen 2.737 N/A LYS 497.A N ASN 494.A O no hydrogen 2.952 N/A ALA 498.A N GLY 495.A O no hydrogen 3.059 N/A THR 499.A N ASN 493.A O no hydrogen 2.976 N/A THR 499.A OG1 ASN 494.A OD1 no hydrogen 2.982 N/A THR 501.A OG1 ASN 114.A O no hydrogen 2.769 N/A THR 501.A OG1 ASN 493.A OD1 no hydrogen 2.956 N/A LEU 502.A N VAL 515.A O no hydrogen 3.120 N/A GLN 503.A N GLN 553.A OE1 no hydrogen 2.860 N/A GLN 503.A NE2 GLY 454.A O no hydrogen 2.824 N/A GLN 503.A NE2 GLU 512.A OE2 no hydrogen 3.019 N/A ALA 504.A N GLU 513.A O no hydrogen 3.030 N/A ASP 505.A N TYR 546.A OH no hydrogen 2.986 N/A LEU 506.A N GLU 513.A OE1 no hydrogen 2.811 N/A LEU 507.A N GLU 513.A OE1 no hydrogen 3.147 N/A GLY 508.A N GLY 10.A O no hydrogen 2.700 N/A ASP 509.A N SER 23.A OG no hydrogen 3.006 N/A TRP 510.A NE1 HIS 535.A O no hydrogen 2.945 N/A ARG 511.A N ASP 509.A OD1 no hydrogen 3.225 N/A ARG 511.A NE ASP 509.A OD1 no hydrogen 2.881 N/A ARG 511.A NE ASP 509.A OD2 no hydrogen 3.281 N/A ARG 511.A NH1 ASP 509.A OD1 no hydrogen 3.530 N/A ARG 511.A NH1 ASP 509.A OD2 no hydrogen 2.851 N/A ARG 511.A NH1 ILE 531.A O no hydrogen 2.893 N/A ARG 511.A NH2 ASP 458.A O no hydrogen 3.012 N/A ARG 511.A NH2 ILE 531.A O no hydrogen 2.771 N/A GLU 512.A N TRP 456.A O no hydrogen 2.873 N/A GLU 513.A N ALA 504.A O no hydrogen 2.840 N/A VAL 514.A N TYR 527.A O no hydrogen 3.029 N/A VAL 515.A N LEU 502.A O no hydrogen 2.722 N/A TRP 516.A N ARG 525.A O no hydrogen 3.006 N/A TRP 516.A NE1 SER 468.A O no hydrogen 2.879 N/A ARG 517.A NH1 THR 518.A O no hydrogen 3.434 N/A ARG 517.A NH2 ALA 492.A O no hydrogen 3.075 N/A THR 518.A N ALA 523.A O no hydrogen 2.994 N/A THR 518.A OG1 ASP 520.A OD1 no hydrogen 2.919 N/A THR 518.A OG1 ALA 523.A O no hydrogen 3.435 N/A SER 521.A N THR 518.A O no hydrogen 3.007 N/A SER 522.A N THR 518.A OG1 no hydrogen 3.212 N/A SER 522.A N ASP 520.A OD1 no hydrogen 2.977 N/A SER 522.A OG ASP 520.A OD1 no hydrogen 2.649 N/A SER 522.A OG ASP 520.A OD2 no hydrogen 3.511 N/A ALA 523.A N THR 518.A OG1 no hydrogen 3.385 N/A LEU 524.A N VAL 93.A O no hydrogen 2.901 N/A ARG 525.A N TRP 516.A O no hydrogen 2.746 N/A ARG 525.A NH1 SER 488.A O no hydrogen 2.854 N/A ARG 525.A NH1 TYR 527.A OH no hydrogen 3.211 N/A ILE 526.A N HIS 91.A O no hydrogen 2.761 N/A TYR 527.A N VAL 514.A O no hydrogen 2.783 N/A THR 528.A OG1 GLU 513.A OE2 no hydrogen 2.684 N/A THR 529.A OG1 TRP 457.A O no hydrogen 2.759 N/A ILE 531.A N THR 529.A OG1 no hydrogen 3.226 N/A THR 533.A OG1 GLY 459.A O no hydrogen 2.805 N/A HIS 535.A N THR 533.A OG1 no hydrogen 3.055 N/A ARG 536.A NH1 VAL 34.A O no hydrogen 2.763 N/A ARG 536.A NH1 LYS 51.A O no hydrogen 2.947 N/A ARG 536.A NH2 ALA 32.A O no hydrogen 2.849 N/A ARG 536.A NH2 VAL 34.A O no hydrogen 3.345 N/A TYR 538.A N GLN 574.A OE1 no hydrogen 2.850 N/A TYR 538.A OH GLU 30.A O no hydrogen 2.683 N/A THR 539.A N PHE 26.A O no hydrogen 2.848 N/A THR 539.A OG1 ASP 505.A OD2 no hydrogen 3.067 N/A LEU 540.A N ASP 505.A OD2 no hydrogen 3.053 N/A HIS 542.A N THR 539.A O no hydrogen 2.942 N/A ASP 543.A N LEU 540.A O no hydrogen 2.981 N/A VAL 545.A N ASP 543.A OD2 no hydrogen 3.111 N/A TYR 546.A N ASP 543.A OD2 no hydrogen 2.961 N/A TYR 546.A OH GLU 512.A OE2 no hydrogen 2.596 N/A ARG 547.A N ASP 543.A O no hydrogen 3.027 N/A ARG 547.A NE GLU 5.A OE1 no hydrogen 2.875 N/A ARG 547.A NE GLU 5.A OE2 no hydrogen 3.404 N/A ARG 547.A NH1 ARG 547.A O no hydrogen 2.935 N/A ARG 547.A NH2 GLU 5.A OE2 no hydrogen 2.862 N/A ARG 547.A NH2 VAL 118.A O no hydrogen 3.433 N/A GLY 549.A N VAL 545.A O no hydrogen 2.918 N/A ILE 550.A N TYR 546.A O no hydrogen 3.011 N/A ALA 551.A N ARG 547.A O no hydrogen 3.248 N/A TRP 552.A N LEU 548.A O no hydrogen 3.102 N/A GLN 553.A N ILE 550.A O no hydrogen 3.245 N/A GLN 553.A NE2 GLN 503.A O no hydrogen 2.856 N/A ILE 555.A N TRP 552.A O no hydrogen 2.955 N/A ALA 556.A N GLN 179.A OE1 no hydrogen 2.857 N/A TYR 557.A N HIS 325.A O no hydrogen 2.975 N/A ASN 558.A ND2 ASP 115.A OD1 no hydrogen 2.908 N/A GLN 559.A NE2 TYR 557.A O no hydrogen 3.034 N/A THR 563.A OG1 PHE 565.A O no hydrogen 2.741 N/A SER 564.A N ASP 543.A OD1 no hydrogen 3.452 N/A SER 564.A N ASP 543.A OD2 no hydrogen 2.815 N/A SER 564.A OG ASP 543.A OD1 no hydrogen 2.593 N/A ASP 569.A N ASP 419.A OD2 no hydrogen 2.839 N/A MET 571.A N GLY 568.A O no hydrogen 3.106 N/A LYS 576.A NZ GLY 28.A O no hydrogen 2.885 N/A LYS 576.A NZ PRO 577.A O no hydrogen 3.273 N/A TYR 580.A N ARG 2.A O no hydrogen 2.916 N/A