Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ets_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 9.A N GLY 13.A O no hydrogen 3.102 N/A GLN 11.A N ASP 94.A OD2 no hydrogen 2.820 N/A GLN 11.A NE2 LYS 93.A O no hydrogen 3.265 N/A GLN 11.A NE2 ASP 94.A OD1 no hydrogen 3.094 N/A GLY 13.A N ASP 30.A O no hydrogen 2.711 N/A ILE 16.A N LEU 28.A O no hydrogen 2.684 N/A ASP 18.A N THR 26.A O no hydrogen 2.899 N/A GLY 21.A N ASP 18.A O no hydrogen 2.947 N/A ASN 22.A ND2 GLY 235.A O no hydrogen 2.783 N/A ALA 23.A N ASP 18.A OD1 no hydrogen 2.836 N/A THR 26.A N ALA 23.A O no hydrogen 3.210 N/A THR 26.A OG1 ALA 23.A O no hydrogen 2.700 N/A ALA 27.A N ILE 70.A O no hydrogen 2.878 N/A LEU 28.A N ILE 16.A O no hydrogen 2.706 N/A VAL 29.A N VAL 68.A O no hydrogen 2.855 N/A ASP 30.A N ALA 14.A O no hydrogen 2.728 N/A LEU 31.A N ASP 66.A O no hydrogen 3.096 N/A ASP 32.A N ASP 30.A OD2 no hydrogen 3.336 N/A HIS 34.A N LEU 31.A O no hydrogen 3.072 N/A HIS 34.A ND1 GLU 87.A OE2 no hydrogen 2.884 N/A SER 37.A N LYS 86.A O no hydrogen 3.024 N/A LYS 40.A N GLU 84.A O no hydrogen 2.833 N/A VAL 41.A N TYR 55.A O no hydrogen 2.890 N/A THR 42.A N THR 82.A O no hydrogen 2.891 N/A THR 42.A OG1 SER 54.A OG no hydrogen 3.285 N/A VAL 43.A N ILE 53.A O no hydrogen 2.741 N/A HIS 44.A N LYS 80.A O no hydrogen 3.055 N/A HIS 44.A NE2 THR 82.A OG1 no hydrogen 2.984 N/A LYS 46.A N TYR 74.A OH no hydrogen 2.973 N/A LYS 46.A NZ GLU 185.A OE1 no hydrogen 2.706 N/A ILE 53.A N VAL 43.A O no hydrogen 2.854 N/A SER 54.A OG VAL 41.A O no hydrogen 3.085 N/A SER 54.A OG THR 42.A OG1 no hydrogen 3.285 N/A TYR 55.A N VAL 41.A O no hydrogen 3.010 N/A TYR 55.A OH PRO 69.A O no hydrogen 2.686 N/A VAL 57.A N VAL 39.A O no hydrogen 3.119 N/A GLY 58.A N PHE 561.A O no hydrogen 2.920 N/A GLN 59.A NE2 ILE 36.A O no hydrogen 2.924 N/A SER 61.A N LYS 562.A OXT no hydrogen 3.168 N/A SER 61.A OG LYS 562.A OXT no hydrogen 2.553 N/A LEU 62.A N GLY 58.A O no hydrogen 3.066 N/A LYS 63.A N GLN 59.A O no hydrogen 2.861 N/A THR 64.A N GLU 60.A O no hydrogen 2.851 N/A THR 64.A OG1 GLU 60.A O no hydrogen 2.640 N/A TYR 65.A N SER 61.A O no hydrogen 2.868 N/A TYR 65.A OH ASP 232.A OD2 no hydrogen 2.783 N/A GLY 67.A N LEU 62.A O no hydrogen 3.162 N/A VAL 68.A N VAL 29.A O no hydrogen 2.785 N/A ILE 70.A N ALA 27.A O no hydrogen 2.696 N/A PHE 71.A N TYR 55.A OH no hydrogen 2.715 N/A LEU 73.A N LEU 25.A O no hydrogen 3.378 N/A TYR 74.A N ASN 79.A OD1 no hydrogen 2.708 N/A LYS 76.A N SER 101.A O no hydrogen 2.899 N/A PHE 77.A N THR 100.A OG1 no hydrogen 3.095 N/A ASN 79.A N VAL 98.A O no hydrogen 3.001 N/A ASN 79.A ND2 TYR 74.A O no hydrogen 3.154 N/A ASN 79.A ND2 PHE 77.A O no hydrogen 3.171 N/A ASN 79.A ND2 VAL 98.A O no hydrogen 3.210 N/A VAL 81.A N TYR 96.A O no hydrogen 2.759 N/A THR 82.A N THR 42.A O no hydrogen 2.798 N/A THR 82.A OG1 HIS 44.A NE2 no hydrogen 2.984 N/A THR 82.A OG1 ASP 95.A OD1 no hydrogen 2.688 N/A VAL 83.A N ASP 94.A O no hydrogen 2.857 N/A GLU 84.A N LYS 40.A O no hydrogen 2.861 N/A TRP 85.A N MET 92.A O no hydrogen 3.031 N/A TRP 85.A NE1 GLU 87.A OE1 no hydrogen 3.107 N/A LYS 86.A N SER 37.A O no hydrogen 2.775 N/A GLU 87.A N LYS 90.A O no hydrogen 2.973 N/A LYS 90.A N GLU 87.A O no hydrogen 3.073 N/A MET 92.A N TRP 85.A O no hydrogen 2.908 N/A LYS 93.A NZ ASP 95.A OD2 no hydrogen 3.312 N/A ASP 94.A N VAL 83.A O no hydrogen 2.867 N/A TYR 96.A N VAL 81.A O no hydrogen 2.723 N/A VAL 98.A N ASN 79.A O no hydrogen 2.769 N/A THR 100.A N PHE 77.A O no hydrogen 3.107 N/A THR 100.A OG1 TYR 74.A O no hydrogen 2.633 N/A THR 100.A OG1 PHE 77.A O no hydrogen 3.264 N/A ILE 103.A N GLN 75.A OE1 no hydrogen 3.162 N/A ASN 105.A ND2 ASP 115.A O no hydrogen 2.918 N/A ASN 105.A ND2 ASP 543.A OD2 no hydrogen 3.463 N/A ASN 106.A N GLN 192.A OE1 no hydrogen 2.736 N/A ASN 106.A ND2 GLN 192.A OE1 no hydrogen 3.180 N/A TYR 107.A N ASN 105.A OD1 no hydrogen 3.107 N/A ASP 109.A N SER 112.A OG no hydrogen 3.288 N/A ARG 111.A N ASP 109.A OD1 no hydrogen 2.926 N/A ARG 111.A NE ASP 109.A OD1 no hydrogen 2.938 N/A ARG 111.A NH2 ASP 109.A OD2 no hydrogen 2.771 N/A ARG 111.A NH2 THR 141.A O no hydrogen 2.966 N/A SER 112.A N ASP 109.A O no hydrogen 2.758 N/A ILE 113.A N ASP 543.A O no hydrogen 2.757 N/A SER 114.A OG LEU 116.A O no hydrogen 3.451 N/A GLN 117.A NE2 HIS 138.A O no hydrogen 3.466 N/A GLN 117.A NE2 ASP 543.A OD1 no hydrogen 3.086 N/A GLN 118.A N LEU 541.A O no hydrogen 3.153 N/A GLN 118.A NE2 LEU 116.A O no hydrogen 2.786 N/A THR 119.A OG1 GLY 184.A O no hydrogen 2.611 N/A LYS 120.A N ASP 539.A O no hydrogen 2.875 N/A ILE 122.A N GLU 537.A O no hydrogen 2.922 N/A LYS 123.A N GLU 537.A O no hydrogen 3.101 N/A LYS 123.A NZ VAL 534.A O no hydrogen 3.018 N/A ALA 125.A N LYS 535.A O no hydrogen 2.738 N/A GLY 127.A N GLU 129.A OE1 no hydrogen 2.894 N/A PHE 128.A N ALA 125.A O no hydrogen 3.106 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 2.906 N/A ARG 131.A NE GLU 526.A OE1 no hydrogen 3.381 N/A ARG 131.A NE GLU 526.A OE2 no hydrogen 2.682 N/A ARG 131.A NH1 ASP 500.A OD2 no hydrogen 2.934 N/A ARG 131.A NH2 ASP 500.A OD1 no hydrogen 3.258 N/A ARG 131.A NH2 GLU 526.A OE1 no hydrogen 2.767 N/A TYR 133.A N VAL 180.A O no hydrogen 3.136 N/A TYR 133.A OH GLU 526.A OE2 no hydrogen 2.643 N/A LEU 134.A N LEU 553.A O no hydrogen 2.705 N/A VAL 135.A N PHE 178.A O no hydrogen 2.763 N/A ASN 136.A N ARG 551.A O no hydrogen 2.816 N/A ASN 136.A ND2 LEU 209.A O no hydrogen 3.184 N/A THR 137.A N PHE 176.A O no hydrogen 3.232 N/A THR 137.A OG1 HIS 549.A ND1 no hydrogen 2.756 N/A HIS 138.A N THR 137.A OG1 no hydrogen 2.654 N/A HIS 138.A NE2 LEU 209.A O no hydrogen 2.601 N/A THR 139.A N ALA 174.A O no hydrogen 2.851 N/A THR 139.A OG1 ASP 543.A OD1 no hydrogen 3.386 N/A THR 139.A OG1 ASP 543.A OD2 no hydrogen 2.767 N/A PHE 140.A N GLN 547.A OE1 no hydrogen 3.047 N/A GLY 144.A N THR 141.A OG1 no hydrogen 3.190 N/A SER 145.A OG PRO 170.A O no hydrogen 2.730 N/A TRP 149.A NE1 ASP 249.A OD1 no hydrogen 3.174 N/A HIS 150.A ND1 GLY 151.A O no hydrogen 2.737 N/A GLY 151.A N PRO 164.A O no hydrogen 2.836 N/A LYS 153.A NZ GLY 158.A O no hydrogen 3.201 N/A LYS 153.A NZ ILE 159.A O no hydrogen 2.859 N/A LYS 153.A NZ ASP 161.A O no hydrogen 2.964 N/A ASN 156.A N ASP 154.A OD1 no hydrogen 2.849 N/A ALA 157.A N ASP 154.A O no hydrogen 3.002 N/A ASP 161.A N GLY 158.A O no hydrogen 3.166 N/A THR 166.A N TRP 149.A O no hydrogen 3.150 N/A ALA 168.A N ASP 249.A OD2 no hydrogen 3.102 N/A PHE 171.A N ALA 168.A O no hydrogen 3.237 N/A ILE 173.A N GLY 207.A O no hydrogen 3.213 N/A PHE 176.A N THR 137.A O no hydrogen 2.713 N/A PHE 178.A N VAL 135.A O no hydrogen 3.421 N/A ILE 179.A N TRP 188.A O no hydrogen 3.008 N/A VAL 180.A N TYR 133.A O no hydrogen 2.909 N/A ASP 181.A N GLU 185.A O no hydrogen 2.974 N/A THR 182.A OG1 GLU 129.A O no hydrogen 2.777 N/A GLY 184.A N ASP 181.A O no hydrogen 2.901 N/A GLU 185.A N ASP 181.A OD1 no hydrogen 2.830 N/A TYR 186.A OH GLN 117.A O no hydrogen 2.626 N/A ARG 187.A N ILE 179.A O no hydrogen 2.649 N/A ARG 187.A NE GLY 72.A O no hydrogen 2.903 N/A ARG 187.A NH1 VAL 51.A O no hydrogen 2.951 N/A ARG 187.A NH1 ASP 181.A OD2 no hydrogen 2.817 N/A ARG 187.A NH2 VAL 51.A O no hydrogen 3.308 N/A ARG 187.A NH2 GLY 72.A O no hydrogen 2.896 N/A TRP 188.A NE1 MET 233.A O no hydrogen 2.996 N/A LEU 190.A N THR 177.A O no hydrogen 3.018 N/A ASP 191.A N ASN 22.A O no hydrogen 2.937 N/A GLN 192.A NE2 ASN 105.A OD1 no hydrogen 2.940 N/A GLN 192.A NE2 PRO 175.A O no hydrogen 2.970 N/A ASP 193.A N ASP 191.A OD1 no hydrogen 3.045 N/A THR 194.A N ASP 191.A O no hydrogen 3.142 N/A THR 194.A OG1 ASP 191.A O no hydrogen 2.741 N/A TYR 196.A N GLN 192.A O no hydrogen 3.153 N/A TYR 196.A OH ASP 172.A OD1 no hydrogen 2.888 N/A ASP 197.A N LYS 205.A O no hydrogen 2.964 N/A GLY 198.A N TYR 107.A OH no hydrogen 2.889 N/A ARG 199.A N ASP 197.A OD1 no hydrogen 3.128 N/A ARG 199.A NH1 ASN 106.A O no hydrogen 3.165 N/A ARG 199.A NH2 ASN 106.A O no hydrogen 3.013 N/A ASP 200.A N ASP 197.A OD1 no hydrogen 3.146 N/A ARG 201.A N ASP 200.A OD1 no hydrogen 2.779 N/A ASN 204.A N ASP 202.A OD1 no hydrogen 3.054 N/A ASN 204.A ND2 ASP 202.A OD1 no hydrogen 2.959 N/A LYS 205.A N ASP 202.A O no hydrogen 2.816 N/A ARG 206.A N ILE 203.A O no hydrogen 3.298 N/A ARG 206.A NE ASP 197.A O no hydrogen 3.245 N/A ARG 206.A NE ASP 200.A O no hydrogen 3.163 N/A ARG 206.A NH1 ASP 146.A OD1 no hydrogen 2.823 N/A ARG 206.A NH1 ASP 172.A OD2 no hydrogen 3.031 N/A ARG 206.A NH2 ASP 146.A OD2 no hydrogen 3.165 N/A ARG 206.A NH2 ASP 200.A O no hydrogen 2.680 N/A GLY 207.A N ASP 172.A OD1 no hydrogen 2.765 N/A MET 210.A N VAL 223.A O no hydrogen 3.070 N/A ARG 213.A N THR 221.A O no hydrogen 3.033 N/A ARG 213.A NH1 GLU 253.A OE2 no hydrogen 2.720 N/A THR 215.A N THR 219.A O no hydrogen 2.596 N/A THR 215.A OG1 THR 219.A O no hydrogen 3.265 N/A THR 215.A OG1 THR 219.A OG1 no hydrogen 2.715 N/A ARG 217.A N THR 215.A OG1 no hydrogen 3.075 N/A ARG 217.A NE GLU 230.A OE2 no hydrogen 3.523 N/A ARG 217.A NH1 GLU 256.A OE2 no hydrogen 2.990 N/A ARG 217.A NH2 GLU 230.A OE1 no hydrogen 3.563 N/A ARG 217.A NH2 GLU 230.A OE2 no hydrogen 3.143 N/A ARG 217.A NH2 GLU 256.A OE1 no hydrogen 2.702 N/A ARG 217.A NH2 GLU 256.A OE2 no hydrogen 3.514 N/A GLY 218.A N THR 215.A O no hydrogen 3.107 N/A THR 219.A N THR 215.A OG1 no hydrogen 3.279 N/A THR 219.A OG1 THR 215.A OG1 no hydrogen 2.715 N/A THR 219.A OG1 GLU 230.A OE2 no hydrogen 2.703 N/A PHE 220.A N PHE 231.A O no hydrogen 2.860 N/A THR 221.A N ARG 213.A O no hydrogen 2.935 N/A THR 221.A OG1 ARG 213.A O no hydrogen 3.483 N/A THR 221.A OG1 SER 254.A O no hydrogen 3.230 N/A THR 221.A OG1 SER 254.A OG no hydrogen 2.952 N/A ALA 222.A N TYR 229.A O no hydrogen 3.170 N/A VAL 223.A N MET 210.A O no hydrogen 2.942 N/A GLN 224.A N HIS 227.A O no hydrogen 2.996 N/A GLN 224.A NE2 PHE 195.A O no hydrogen 3.047 N/A GLN 226.A NE2 ASP 249.A OD1 no hydrogen 3.130 N/A HIS 227.A N GLN 224.A O no hydrogen 3.086 N/A HIS 227.A ND1 ASP 240.A OD1 no hydrogen 2.954 N/A HIS 227.A NE2 ASN 204.A OD1 no hydrogen 2.773 N/A TRP 228.A N HIS 241.A O no hydrogen 2.925 N/A TYR 229.A N ALA 222.A O no hydrogen 2.891 N/A GLU 230.A N GLU 239.A O no hydrogen 3.049 N/A PHE 231.A N PHE 220.A O no hydrogen 2.832 N/A ASP 232.A N GLN 236.A O no hydrogen 3.083 N/A MET 234.A N ASP 232.A OD1 no hydrogen 3.032 N/A GLY 235.A N ASP 232.A O no hydrogen 2.904 N/A GLN 236.A N ASP 232.A OD1 no hydrogen 3.087 N/A LEU 238.A N GLU 230.A O no hydrogen 2.754 N/A GLU 239.A N GLU 230.A O no hydrogen 3.129 N/A HIS 241.A N TRP 228.A O no hydrogen 2.855 N/A HIS 241.A NE2 GLU 239.A OE1 no hydrogen 2.725 N/A LEU 243.A N GLN 226.A O no hydrogen 2.886 N/A PHE 247.A N PRO 244.A O no hydrogen 3.014 N/A ALA 248.A N GLY 267.A O no hydrogen 2.965 N/A ASP 249.A N GLN 226.A OE1 no hydrogen 2.816 N/A ALA 250.A N GLY 225.A O no hydrogen 2.788 N/A THR 251.A N ARG 265.A O no hydrogen 3.131 N/A THR 251.A OG1 HIS 252.A ND1 no hydrogen 2.757 N/A HIS 252.A ND1 THR 251.A OG1 no hydrogen 2.757 N/A GLU 253.A N THR 251.A O no hydrogen 2.751 N/A SER 254.A OG GLY 211.A O no hydrogen 2.768 N/A SER 254.A OG THR 221.A OG1 no hydrogen 2.952 N/A ILE 255.A N LEU 263.A O no hydrogen 3.131 N/A THR 257.A N THR 261.A O no hydrogen 2.925 N/A THR 257.A OG1 THR 261.A O no hydrogen 3.409 N/A THR 257.A OG1 THR 261.A OG1 no hydrogen 2.721 N/A ASN 259.A N THR 257.A OG1 no hydrogen 3.179 N/A ASN 259.A ND2 TYR 354.A OH no hydrogen 3.240 N/A THR 261.A OG1 THR 257.A OG1 no hydrogen 2.721 N/A THR 261.A OG1 GLU 288.A OE2 no hydrogen 2.583 N/A VAL 262.A N VAL 289.A O no hydrogen 2.800 N/A LEU 263.A N ILE 255.A O no hydrogen 2.885 N/A LEU 264.A N LEU 287.A O no hydrogen 2.819 N/A ARG 265.A NE VAL 266.A O no hydrogen 3.365 N/A ARG 265.A NH1 THR 251.A OG1 no hydrogen 2.905 N/A ARG 265.A NH1 HIS 252.A ND1 no hydrogen 3.457 N/A ARG 265.A NH1 VAL 349.A O no hydrogen 2.862 N/A ARG 265.A NH2 ASP 249.A O no hydrogen 3.238 N/A ARG 265.A NH2 THR 251.A OG1 no hydrogen 2.649 N/A VAL 266.A N HIS 285.A O no hydrogen 2.914 N/A GLY 267.A N ALA 248.A O no hydrogen 2.893 N/A LYS 268.A N THR 281.A OG1 no hydrogen 2.820 N/A LYS 268.A NZ GLY 246.A O no hydrogen 2.867 N/A LYS 268.A NZ SER 269.A O no hydrogen 2.825 N/A SER 269.A N GLY 246.A O no hydrogen 2.921 N/A SER 269.A OG GLY 246.A O no hydrogen 2.920 N/A TYR 271.A N VAL 279.A O no hydrogen 2.847 N/A TYR 271.A OH THR 302.A OG1 no hydrogen 2.759 N/A ARG 273.A N VAL 277.A O no hydrogen 2.929 N/A ARG 273.A NE ASP 275.A OD1 no hydrogen 3.066 N/A ARG 273.A NH1 PRO 342.A O no hydrogen 3.036 N/A ARG 273.A NH2 ASP 275.A OD2 no hydrogen 3.232 N/A GLY 276.A N ARG 273.A O no hydrogen 2.905 N/A HIS 278.A N GLU 152.A OE1 no hydrogen 2.856 N/A HIS 278.A ND1 GLU 152.A OE1 no hydrogen 2.785 N/A VAL 279.A N TYR 271.A O no hydrogen 2.960 N/A THR 280.A N THR 166.A OG1 no hydrogen 3.002 N/A THR 281.A N LYS 268.A O no hydrogen 2.816 N/A THR 281.A OG1 ASP 284.A OD1 no hydrogen 2.823 N/A THR 281.A OG1 HIS 285.A ND1 no hydrogen 3.398 N/A ARG 283.A NH1 ASP 336.A OD1 no hydrogen 3.511 N/A ARG 283.A NH1 ASP 336.A OD2 no hydrogen 2.727 N/A ARG 283.A NH2 ASP 336.A OD1 no hydrogen 2.882 N/A HIS 285.A N VAL 266.A O no hydrogen 3.061 N/A HIS 285.A ND1 ASP 284.A OD1 no hydrogen 2.771 N/A ILE 286.A N TRP 299.A O no hydrogen 3.017 N/A LEU 287.A N LEU 264.A O no hydrogen 2.995 N/A GLU 288.A N ASP 297.A O no hydrogen 2.880 N/A VAL 289.A N VAL 262.A O no hydrogen 2.995 N/A ASP 290.A N ARG 294.A O no hydrogen 2.996 N/A LYS 291.A NZ GLU 256.A OE2 no hydrogen 2.799 N/A LYS 291.A NZ GLY 260.A O no hydrogen 3.205 N/A SER 292.A N ASP 290.A OD1 no hydrogen 3.156 N/A GLY 293.A N ASP 290.A O no hydrogen 2.771 N/A ARG 294.A N ASP 290.A OD1 no hydrogen 2.871 N/A ARG 294.A NE ASP 290.A OD2 no hydrogen 3.497 N/A VAL 296.A N GLU 288.A O no hydrogen 2.738 N/A ASP 297.A N GLU 288.A O no hydrogen 3.120 N/A VAL 298.A N ASP 297.A OD1 no hydrogen 2.742 N/A TRP 299.A N ILE 286.A O no hydrogen 2.861 N/A TRP 299.A NE1 GLY 374.A O no hydrogen 3.296 N/A LEU 301.A N ASP 284.A O no hydrogen 3.073 N/A THR 302.A N ASP 300.A OD1 no hydrogen 3.021 N/A THR 302.A OG1 TYR 271.A OH no hydrogen 2.759 N/A THR 302.A OG1 ASP 300.A OD1 no hydrogen 2.773 N/A LYS 303.A N ASP 300.A O no hydrogen 3.214 N/A LYS 303.A NZ TYR 271.A OH no hydrogen 3.066 N/A LYS 303.A NZ ASP 300.A OD2 no hydrogen 3.457 N/A ILE 304.A N LEU 301.A O no hydrogen 3.166 N/A LEU 305.A N LEU 301.A O no hydrogen 2.907 N/A LYS 308.A N ASP 306.A OD1 no hydrogen 2.937 N/A ARG 309.A NE LYS 387.A O no hydrogen 3.004 N/A ARG 309.A NH1 GLN 368.A O no hydrogen 3.207 N/A ARG 309.A NH1 GLN 368.A OE1 no hydrogen 2.959 N/A ARG 309.A NH2 LYS 387.A O no hydrogen 3.135 N/A GLY 314.A N ASP 310.A O no hydrogen 2.891 N/A ALA 315.A N LEU 312.A O no hydrogen 3.247 N/A ALA 318.A N GLN 324.A O no hydrogen 2.606 N/A GLY 323.A N ASP 317.A OD1 no hydrogen 3.076 N/A ALA 326.A N LEU 316.A O no hydrogen 2.539 N/A LYS 327.A NZ GLU 329.A OE2 no hydrogen 3.024 N/A THR 332.A OG1 GLU 329.A O no hydrogen 3.409 N/A GLY 335.A N GLY 343.A O no hydrogen 2.723 N/A ALA 337.A N GLY 335.A O no hydrogen 2.741 N/A GLY 341.A N PRO 307.A O no hydrogen 2.922 N/A ARG 344.A N GLY 341.A O no hydrogen 3.205 N/A ARG 344.A NE THR 332.A O no hydrogen 2.834 N/A ARG 344.A NH1 VAL 340.A O no hydrogen 2.688 N/A ARG 344.A NH2 THR 332.A O no hydrogen 3.154 N/A ASN 345.A N ALA 337.A O no hydrogen 2.982 N/A ASN 345.A ND2 HIS 348.A ND1 no hydrogen 2.851 N/A TRP 346.A N ARG 344.A O no hydrogen 2.869 N/A TRP 346.A NE1 ASP 284.A OD2 no hydrogen 2.971 N/A VAL 349.A N ARG 283.A O no hydrogen 3.130 N/A ASN 350.A N SER 364.A O no hydrogen 2.960 N/A ASN 350.A ND2 GLN 427.A O no hydrogen 3.144 N/A ILE 352.A N GLU 253.A OE1 no hydrogen 3.014 N/A ALA 353.A N ILE 362.A O no hydrogen 2.853 N/A TYR 354.A OH ASP 359.A OD1 no hydrogen 2.534 N/A ASP 355.A N SER 360.A O no hydrogen 2.790 N/A LYS 357.A N ASP 355.A OD1 no hydrogen 3.342 N/A SER 360.A N ASP 355.A O no hydrogen 3.328 N/A SER 360.A OG ASP 358.A OD1 no hydrogen 2.727 N/A SER 360.A OG ASP 358.A OD2 no hydrogen 3.154 N/A ILE 361.A N ILE 373.A O no hydrogen 2.979 N/A ILE 362.A N ALA 353.A O no hydrogen 2.762 N/A LEU 363.A N VAL 371.A O no hydrogen 2.783 N/A SER 364.A N SER 351.A O no hydrogen 3.276 N/A SER 364.A OG ASN 350.A OD1 no hydrogen 2.843 N/A SER 364.A OG GLN 427.A O no hydrogen 3.112 N/A SER 365.A N GLY 369.A O no hydrogen 2.624 N/A SER 365.A OG ALA 347.A O no hydrogen 2.730 N/A ARG 366.A N HIS 348.A O no hydrogen 3.032 N/A ARG 366.A NH1 HIS 367.A NE2 no hydrogen 2.993 N/A HIS 367.A N ALA 347.A O no hydrogen 3.333 N/A HIS 367.A ND1 ASN 345.A O no hydrogen 2.841 N/A GLN 368.A N SER 365.A O no hydrogen 3.144 N/A GLN 368.A NE2 ARG 309.A O no hydrogen 2.987 N/A GLN 368.A NE2 TRP 346.A O no hydrogen 2.974 N/A GLY 369.A N SER 365.A O no hydrogen 2.875 N/A VAL 370.A N LEU 383.A O no hydrogen 3.243 N/A VAL 371.A N LEU 363.A O no hydrogen 3.045 N/A LYS 372.A N TRP 381.A O no hydrogen 3.046 N/A LYS 372.A NZ ASP 355.A OD2 no hydrogen 2.644 N/A LYS 372.A NZ ASP 358.A OD1 no hydrogen 3.473 N/A LYS 372.A NZ ASP 358.A OD2 no hydrogen 3.114 N/A LYS 372.A NZ GLU 468.A OE2 no hydrogen 2.903 N/A ILE 373.A N ILE 361.A O no hydrogen 2.913 N/A GLY 374.A N GLN 378.A O no hydrogen 2.925 N/A ARG 375.A NE ASP 359.A OD2 no hydrogen 2.802 N/A ARG 375.A NH1 GLU 288.A OE1 no hydrogen 2.833 N/A ARG 375.A NH1 ASP 297.A OD2 no hydrogen 2.915 N/A ARG 375.A NH2 GLU 288.A OE1 no hydrogen 2.982 N/A ARG 375.A NH2 ASP 359.A OD1 no hydrogen 3.231 N/A ARG 375.A NH2 ASP 359.A OD2 no hydrogen 3.566 N/A LYS 377.A N GLY 374.A O no hydrogen 2.800 N/A LYS 377.A NZ ASP 297.A OD1 no hydrogen 3.005 N/A LYS 377.A NZ ASP 297.A OD2 no hydrogen 3.458 N/A LYS 377.A NZ ARG 375.A O no hydrogen 3.420 N/A GLN 378.A N ASP 376.A OD1 no hydrogen 2.752 N/A LYS 380.A N LYS 372.A O no hydrogen 2.819 N/A LYS 380.A NZ ASP 376.A OD1 no hydrogen 3.419 N/A LYS 380.A NZ ASP 376.A OD2 no hydrogen 2.842 N/A LYS 380.A NZ GLN 378.A OE1.A no hydrogen 3.556 N/A ILE 382.A N LYS 396.A O no hydrogen 3.108 N/A LEU 383.A N VAL 370.A O no hydrogen 2.628 N/A LYS 387.A N GLU 412.A O no hydrogen 2.971 N/A TRP 389.A N SER 386.A O no hydrogen 3.377 N/A ALA 394.A N GLU 390.A O no hydrogen 2.817 N/A LYS 396.A N LEU 393.A O no hydrogen 2.657 N/A LYS 396.A NZ VAL 379.A O no hydrogen 2.786 N/A LEU 397.A N ALA 394.A O no hydrogen 3.342 N/A LEU 398.A N ILE 382.A O no hydrogen 3.012 N/A LYS 399.A N GLY 471.A O no hydrogen 3.177 N/A LYS 399.A NZ GLY 471.A O no hydrogen 3.009 N/A VAL 401.A N VAL 473.A O no hydrogen 3.012 N/A ASP 402.A N LYS 406.A O no hydrogen 2.984 N/A ASN 404.A N ASP 402.A OD1 no hydrogen 2.735 N/A GLY 405.A N ASP 402.A O no hydrogen 3.089 N/A GLY 405.A N ASP 402.A OD1 no hydrogen 2.660 N/A LYS 406.A N ASP 402.A OD1 no hydrogen 2.908 N/A ILE 408.A N PRO 400.A O no hydrogen 3.178 N/A CYS 410.A SG ILE 408.A O no hydrogen 3.841 N/A ASN 411.A N LEU 415.A O no hydrogen 3.073 N/A ASN 413.A N ASN 411.A OD1 no hydrogen 3.230 N/A GLY 414.A N ASN 411.A O no hydrogen 3.010 N/A LEU 415.A N ASN 411.A OD1 no hydrogen 2.859 N/A CYS 416.A SG GLY 414.A O no hydrogen 3.754 N/A CYS 416.A SG PHE 421.A O no hydrogen 3.625 N/A GLU 417.A N THR 409.A O no hydrogen 3.049 N/A ASP 422.A N GLN 475.A OE1 no hydrogen 2.942 N/A THR 424.A OG1 GLN 427.A OE1 no hydrogen 3.212 N/A TYR 425.A N ASP 441.A OD1 no hydrogen 2.865 N/A TYR 425.A OH ASN 413.A O no hydrogen 3.200 N/A TYR 425.A OH ASP 422.A OD1 no hydrogen 3.315 N/A THR 426.A OG1 TYR 425.A O no hydrogen 2.727 N/A THR 426.A OG1 ASP 444.A O no hydrogen 3.094 N/A GLN 427.A NE2 SER 364.A OG no hydrogen 2.880 N/A GLN 427.A NE2 SER 365.A O no hydrogen 3.025 N/A THR 428.A OG1 THR 428.A O no hydrogen 2.657 N/A ALA 429.A N SER 351.A OG no hydrogen 3.352 N/A TRP 430.A N THR 438.A O no hydrogen 3.019 N/A TRP 430.A NE1 GLU 253.A OE1 no hydrogen 3.265 N/A SER 432.A N THR 436.A O no hydrogen 2.794 N/A SER 432.A OG THR 436.A O no hydrogen 3.455 N/A SER 432.A OG THR 436.A OG1 no hydrogen 2.759 N/A LYS 434.A N SER 432.A OG no hydrogen 3.214 N/A LYS 434.A NZ TYR 497.A OH no hydrogen 3.086 N/A GLY 435.A N SER 432.A O no hydrogen 2.904 N/A THR 436.A OG1 SER 432.A OG no hydrogen 2.759 N/A THR 436.A OG1 GLU 463.A OE2 no hydrogen 2.538 N/A LEU 437.A N TYR 464.A O no hydrogen 3.067 N/A THR 438.A N TRP 430.A O no hydrogen 2.953 N/A THR 438.A OG1 TRP 430.A O no hydrogen 3.564 N/A ILE 439.A N VAL 462.A O no hydrogen 3.131 N/A ASP 441.A N ARG 460.A O no hydrogen 2.703 N/A ASN 442.A ND2 SER 489.A O no hydrogen 2.960 N/A ASN 442.A ND2 THR 492.A O no hydrogen 3.036 N/A GLY 443.A N TYR 425.A O no hydrogen 3.092 N/A ARG 446.A N GLY 443.A O no hydrogen 3.217 N/A ARG 446.A NH1 ASP 422.A OD2 no hydrogen 2.990 N/A ARG 446.A NH1 ASP 441.A OD2 no hydrogen 2.844 N/A ARG 446.A NH2 ASP 441.A OD2 no hydrogen 3.176 N/A ARG 446.A NH2 TYR 458.A O no hydrogen 3.088 N/A GLU 449.A N ARG 446.A O no hydrogen 3.432 N/A GLN 450.A NE2 ALA 315.A O no hydrogen 3.213 N/A GLN 450.A NE2 ASP 444.A OD1 no hydrogen 3.007 N/A MET 456.A N LEU 453.A O no hydrogen 2.875 N/A LYS 457.A N PRO 454.A O no hydrogen 3.398 N/A LYS 457.A NZ ASP 444.A OD1 no hydrogen 3.445 N/A LYS 457.A NZ GLN 450.A OE1 no hydrogen 2.822 N/A SER 459.A OG ASN 442.A O no hydrogen 2.584 N/A SER 459.A OG SER 489.A O no hydrogen 3.402 N/A ARG 460.A N ASP 441.A O no hydrogen 2.965 N/A ARG 460.A NE ASP 441.A OD2 no hydrogen 2.981 N/A ARG 460.A NH1 GLN 475.A OE1 no hydrogen 3.058 N/A ARG 460.A NH1 GLU 478.A OE1 no hydrogen 3.318 N/A ARG 460.A NH2 ASP 422.A O no hydrogen 2.958 N/A ARG 460.A NH2 ASP 441.A OD2 no hydrogen 2.975 N/A ARG 460.A NH2 TYR 464.A OH no hydrogen 3.396 N/A PHE 461.A N TYR 479.A O no hydrogen 2.830 N/A VAL 462.A N ILE 439.A O no hydrogen 3.289 N/A GLU 463.A N TRP 477.A O no hydrogen 2.846 N/A TYR 464.A N LEU 437.A O no hydrogen 2.909 N/A TYR 464.A OH ASP 422.A O no hydrogen 2.676 N/A LYS 465.A N GLN 474.A O no hydrogen 2.869 N/A ASP 467.A N THR 472.A O no hydrogen 2.972 N/A LYS 470.A N ASP 467.A OD1 no hydrogen 2.612 N/A GLY 471.A N ASP 467.A O no hydrogen 2.780 N/A THR 472.A N ASP 467.A O no hydrogen 3.036 N/A VAL 473.A N LYS 399.A O no hydrogen 2.903 N/A GLN 474.A N LYS 465.A O no hydrogen 2.816 N/A GLN 475.A NE2 ASP 420.A O no hydrogen 3.162 N/A VAL 476.A N GLU 463.A O no hydrogen 3.049 N/A TRP 477.A NE1 TYR 529.A O no hydrogen 2.928 N/A TYR 479.A N PHE 461.A O no hydrogen 2.923 N/A ARG 483.A N GLY 480.A O no hydrogen 3.030 N/A ARG 483.A NH1 TYR 479.A OH no hydrogen 2.789 N/A ARG 483.A NH1 GLU 537.A OE2 no hydrogen 3.089 N/A ARG 483.A NH2 GLU 537.A OE1 no hydrogen 3.007 N/A ARG 483.A NH2 GLU 537.A OE2 no hydrogen 3.209 N/A PHE 487.A N GLY 484.A O no hydrogen 3.157 N/A TYR 488.A N TYR 485.A O no hydrogen 3.072 N/A SER 489.A N SER 459.A OG no hydrogen 2.886 N/A SER 489.A OG SER 493.A OG no hydrogen 3.393 N/A ILE 491.A N SER 510.A OG no hydrogen 3.150 N/A THR 492.A OG1 ILE 491.A O no hydrogen 3.021 N/A THR 492.A OG1 HIS 549.A O no hydrogen 2.636 N/A SER 493.A N TYR 550.A O no hydrogen 3.072 N/A SER 493.A OG ILE 491.A O no hydrogen 2.851 N/A ILE 494.A N PHE 507.A O no hydrogen 3.076 N/A ILE 495.A N THR 428.A OG1 no hydrogen 3.254 N/A GLU 496.A N PHE 505.A O no hydrogen 3.025 N/A TYR 497.A OH ASN 502.A OD1 no hydrogen 2.583 N/A GLN 498.A N THR 503.A O no hydrogen 2.697 N/A GLN 498.A NE2 GLU 496.A O no hydrogen 2.978 N/A GLN 498.A NE2 GLU 496.A OE1 no hydrogen 2.766 N/A ARG 501.A NH1 ASP 130.A OD1 no hydrogen 2.954 N/A ARG 501.A NH2 ASP 130.A OD1 no hydrogen 3.159 N/A ARG 501.A NH2 ASP 130.A OD2 no hydrogen 3.123 N/A ASN 502.A N ALA 499.A O no hydrogen 3.381 N/A THR 503.A N GLN 498.A O no hydrogen 2.945 N/A THR 503.A OG1 GLU 526.A OE1 no hydrogen 2.619 N/A MET 504.A N ILE 527.A O no hydrogen 2.857 N/A PHE 505.A N GLU 496.A O no hydrogen 3.057 N/A GLY 506.A N ASN 525.A O no hydrogen 2.635 N/A PHE 507.A N ILE 494.A O no hydrogen 2.862 N/A GLY 508.A N LYS 523.A O no hydrogen 3.152 N/A GLY 509.A N SER 493.A OG no hydrogen 2.885 N/A SER 510.A N SER 489.A OG no hydrogen 3.214 N/A SER 510.A OG ILE 491.A O no hydrogen 2.785 N/A ILE 511.A N VAL 521.A O no hydrogen 3.118 N/A LEU 513.A N SER 510.A O no hydrogen 2.989 N/A ASP 515.A N HIS 512.A O no hydrogen 3.071 N/A GLY 517.A N ASN 546.A OD1 no hydrogen 2.942 N/A GLN 518.A N ASP 515.A O no hydrogen 3.001 N/A THR 520.A N SER 542.A OG no hydrogen 2.835 N/A VAL 521.A N ILE 511.A O no hydrogen 2.999 N/A GLY 522.A N VAL 540.A O no hydrogen 2.673 N/A LYS 523.A N GLY 508.A O no hydrogen 2.815 N/A LYS 523.A NZ GLU 537.A OE1 no hydrogen 3.038 N/A LYS 523.A NZ ASP 539.A OD1 no hydrogen 2.839 N/A LYS 523.A NZ ASP 539.A OD2 no hydrogen 3.218 N/A LEU 524.A N ILE 538.A O no hydrogen 2.768 N/A ASN 525.A N GLY 506.A O no hydrogen 2.921 N/A ASN 525.A ND2 VAL 536.A O no hydrogen 2.746 N/A ASN 525.A ND2 GLU 537.A OE2 no hydrogen 2.910 N/A GLU 526.A N VAL 536.A O no hydrogen 3.091 N/A ILE 527.A N MET 504.A O no hydrogen 2.997 N/A ASP 528.A N GLU 533.A O no hydrogen 2.895 N/A TYR 529.A N ASN 502.A O no hydrogen 3.039 N/A TYR 529.A OH GLU 463.A OE1 no hydrogen 2.357 N/A LYS 530.A N ASP 528.A OD1 no hydrogen 2.846 N/A THR 531.A N ASP 528.A OD1 no hydrogen 3.124 N/A THR 531.A OG1 GLU 533.A OE1 no hydrogen 2.720 N/A LYS 532.A N ASP 528.A O no hydrogen 2.879 N/A GLU 533.A N THR 531.A OG1 no hydrogen 3.190 N/A LYS 535.A N GLU 526.A O no hydrogen 2.836 N/A VAL 536.A N GLU 526.A O no hydrogen 3.192 N/A GLU 537.A N LYS 123.A O no hydrogen 2.787 N/A ILE 538.A N LEU 524.A O no hydrogen 2.952 N/A ASP 539.A N LYS 120.A O no hydrogen 2.888 N/A VAL 540.A N GLY 522.A O no hydrogen 2.718 N/A LEU 541.A N GLN 118.A O no hydrogen 2.727 N/A SER 542.A N THR 520.A O no hydrogen 2.923 N/A SER 542.A OG LYS 544.A O no hydrogen 2.373 N/A LYS 544.A NZ TYR 107.A O no hydrogen 2.602 N/A LYS 544.A NZ THR 139.A OG1 no hydrogen 2.813 N/A LYS 544.A NZ PHE 140.A O no hydrogen 3.183 N/A LYS 544.A NZ ASP 543.A OD2 no hydrogen 3.425 N/A ASN 546.A N GLN 518.A O no hydrogen 3.290 N/A ASN 546.A ND2 LEU 513.A O no hydrogen 2.767 N/A ASN 546.A ND2 ASP 515.A O no hydrogen 3.169 N/A GLN 547.A N THR 520.A OG1 no hydrogen 3.042 N/A GLN 547.A NE2 ASP 543.A OD1 no hydrogen 2.658 N/A THR 548.A OG1 HIS 549.A O no hydrogen 2.938 N/A HIS 549.A N GLY 509.A O no hydrogen 3.053 N/A HIS 549.A ND1 THR 137.A OG1 no hydrogen 2.756 N/A HIS 549.A NE2 THR 520.A O no hydrogen 3.170 N/A TYR 550.A N ASN 136.A O no hydrogen 3.215 N/A TYR 550.A OH HIS 252.A O no hydrogen 2.799 N/A ARG 551.A N ASN 136.A O no hydrogen 3.179 N/A ARG 551.A NH1 GLU 253.A OE2 no hydrogen 3.011 N/A ARG 551.A NH2 GLU 253.A OE1 no hydrogen 3.148 N/A ARG 551.A NH2 ASN 350.A O no hydrogen 3.391 N/A LEU 553.A N LEU 134.A O no hydrogen 2.670 N/A VAL 555.A N LEU 132.A O no hydrogen 3.111 N/A ARG 556.A NE ASP 500.A OD2 no hydrogen 3.491 N/A ARG 556.A NH1 GLN 498.A OE1 no hydrogen 3.367 N/A ARG 556.A NH2 GLN 498.A OE1 no hydrogen 2.721 N/A ARG 556.A NH2 ASP 500.A OD1 no hydrogen 3.392 N/A ARG 556.A NH2 ASP 500.A OD2 no hydrogen 3.123 N/A GLN 558.A N GLN 558.A OE1 no hydrogen 2.882 N/A GLN 559.A N ARG 556.A O no hydrogen 2.856 N/A LYS 562.A NZ PRO 216.A O no hydrogen 3.309 N/A