Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4hxe_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 2.A NE1 LYS 338.A O no hydrogen 2.606 N/A ASP 3.A N THR 6.A OG1 no hydrogen 2.675 N/A GLU 4.A N GLU 4.A OE2 no hydrogen 2.716 N/A LYS 5.A N ASP 3.A OD1 no hydrogen 2.876 N/A THR 6.A N ASP 3.A O no hydrogen 3.409 N/A THR 6.A OG1 GLU 1.A O no hydrogen 3.492 N/A THR 6.A OG1 ASP 3.A O no hydrogen 3.230 N/A THR 6.A OG1 ASP 3.A OD1 no hydrogen 2.929 N/A PHE 7.A N TYR 386.A OH no hydrogen 2.928 N/A THR 8.A N LYS 5.A O no hydrogen 2.845 N/A THR 8.A OG1 LYS 5.A O no hydrogen 2.657 N/A LYS 9.A N THR 6.A O no hydrogen 2.881 N/A ALA 11.A N ASN 330.A OD1 no hydrogen 2.690 N/A TYR 12.A N THR 28.A O no hydrogen 2.909 N/A TYR 12.A OH PHE 7.A O no hydrogen 2.628 N/A SER 14.A N VAL 26.A O no hydrogen 2.950 N/A ARG 17.A N ALA 24.A O no hydrogen 2.799 N/A ARG 17.A NE ASP 15.A OD1 no hydrogen 3.022 N/A ARG 17.A NH2 ASP 15.A OD1 no hydrogen 3.029 N/A THR 18.A N ASP 298.A OD2 no hydrogen 2.818 N/A THR 18.A OG1 LEU 22.A O no hydrogen 2.724 N/A ARG 19.A N LEU 22.A O no hydrogen 3.149 N/A LYS 20.A N ASP 300.A OD2 no hydrogen 2.742 N/A ASN 21.A ND2 ASN 45.A OD1 no hydrogen 3.150 N/A LEU 22.A N ARG 19.A O no hydrogen 2.829 N/A VAL 23.A N GLU 44.A O no hydrogen 3.079 N/A ALA 24.A N ARG 17.A O no hydrogen 2.769 N/A TYR 25.A N VAL 42.A O no hydrogen 2.997 N/A TYR 25.A OH GLU 44.A OE2 no hydrogen 2.327 N/A TYR 25.A OH TYR 329.A OH no hydrogen 2.543 N/A VAL 26.A N SER 14.A O no hydrogen 2.880 N/A LEU 27.A N THR 40.A O no hydrogen 2.698 N/A THR 28.A N TYR 12.A O no hydrogen 2.836 N/A THR 28.A OG1 ASN 39.A OD1 no hydrogen 2.605 N/A LYS 29.A N GLU 38.A O no hydrogen 2.862 N/A ASN 31.A N LYS 36.A O no hydrogen 2.936 N/A ASN 31.A ND2 GLU 38.A OE2 no hydrogen 2.680 N/A SER 34.A N ASN 31.A OD1 no hydrogen 2.989 N/A LYS 36.A N ASN 31.A O no hydrogen 3.095 N/A TYR 37.A OH GLY 572.A O no hydrogen 2.515 N/A GLU 38.A N LYS 29.A O no hydrogen 2.781 N/A THR 40.A N LEU 27.A O no hydrogen 2.741 N/A THR 40.A OG1 GLU 54.A OE2 no hydrogen 2.522 N/A ILE 41.A N ILE 53.A O no hydrogen 2.780 N/A VAL 42.A N TYR 25.A O no hydrogen 2.882 N/A ILE 43.A N LYS 51.A O no hydrogen 2.810 N/A GLU 44.A N VAL 23.A O no hydrogen 2.714 N/A ASN 45.A N SER 49.A O no hydrogen 2.926 N/A ARG 50.A NE GLU 44.A OE2 no hydrogen 2.540 N/A LYS 51.A N ILE 43.A O no hydrogen 2.835 N/A LYS 51.A NZ LEU 83.A O no hydrogen 2.888 N/A ILE 53.A N ILE 41.A O no hydrogen 2.860 N/A ASP 55.A N GLU 54.A OE2 no hydrogen 2.803 N/A ALA 56.A N ASN 39.A O no hydrogen 3.102 N/A SER 57.A N MET 71.A O no hydrogen 2.903 N/A ARG 60.A N ALA 69.A O no hydrogen 2.762 N/A ARG 60.A NE ILE 100.A O no hydrogen 2.981 N/A ARG 60.A NH1 ASP 15.A OD2 no hydrogen 2.884 N/A ARG 60.A NH1 PRO 59.A O no hydrogen 2.667 N/A SER 62.A N LYS 67.A O no hydrogen 2.847 N/A SER 62.A OG ASP 64.A OD1 no hydrogen 2.466 N/A SER 62.A OG LYS 67.A O no hydrogen 3.323 N/A ASP 64.A N SER 106.A OG no hydrogen 2.885 N/A GLY 65.A N SER 62.A O no hydrogen 2.734 N/A LYS 66.A N ASP 64.A OD1 no hydrogen 2.796 N/A LYS 67.A N SER 62.A OG no hydrogen 3.048 N/A LYS 67.A NZ SER 106.A O no hydrogen 2.906 N/A ILE 68.A N ALA 81.A O no hydrogen 2.905 N/A ALA 69.A N ARG 60.A O no hydrogen 2.818 N/A PHE 70.A N TRP 79.A O no hydrogen 2.998 N/A MET 71.A N SER 57.A O no hydrogen 2.865 N/A ARG 72.A N GLN 77.A O no hydrogen 3.044 N/A ARG 72.A NE GLU 54.A O no hydrogen 3.074 N/A ARG 72.A NE ASP 55.A O no hydrogen 3.105 N/A ARG 72.A NH2 GLU 54.A O no hydrogen 2.801 N/A THR 75.A OG1 ALA 76.A O no hydrogen 3.367 N/A THR 75.A OG1 GLU 93.A OE2.B no hydrogen 3.139 N/A GLN 77.A N ARG 72.A O no hydrogen 2.828 N/A GLN 77.A NE2 GLU 93.A OE1.A no hydrogen 2.544 N/A ILE 78.A N LEU 92.A O no hydrogen 2.689 N/A TRP 79.A N PHE 70.A O no hydrogen 2.860 N/A VAL 80.A N LYS 89.A O no hydrogen 2.968 N/A ALA 81.A N ILE 68.A O no hydrogen 2.738 N/A ASP 82.A N SER 87.A O no hydrogen 3.087 N/A LEU 83.A N LYS 66.A O no hydrogen 2.978 N/A THR 85.A N ASP 82.A OD2.A no hydrogen 2.441 N/A THR 85.A N ASP 82.A OD2.B no hydrogen 3.192 N/A THR 85.A OG1 ASP 82.A OD1.B no hydrogen 2.700 N/A THR 85.A OG1 ASP 82.A OD2.A no hydrogen 2.653 N/A THR 85.A OG1 ASP 82.A OD2.B no hydrogen 2.551 N/A THR 85.A OG1 SER 87.A OG no hydrogen 3.199 N/A LEU 86.A N ASP 82.A O no hydrogen 2.622 N/A SER 87.A N THR 85.A OG1 no hydrogen 3.157 N/A SER 87.A OG ASP 82.A OD1.B no hydrogen 2.505 N/A SER 87.A OG THR 85.A OG1 no hydrogen 3.199 N/A LYS 89.A N VAL 80.A O no hydrogen 2.862 N/A LYS 89.A NZ THR 150.A O no hydrogen 2.849 N/A LYS 89.A NZ GLU 153.A OE2 no hydrogen 2.744 N/A VAL 91.A N ILE 78.A O no hydrogen 2.680 N/A LEU 92.A N ILE 78.A O no hydrogen 3.187 N/A ALA 94.A N ALA 76.A O no hydrogen 2.741 N/A ARG 98.A N VAL 112.A O no hydrogen 2.746 N/A ARG 98.A NH1 GLU 141.A OE2 no hydrogen 2.854 N/A ARG 98.A NH2 GLU 141.A OE1 no hydrogen 3.260 N/A ARG 98.A NH2 GLU 141.A OE2 no hydrogen 3.295 N/A SER 99.A N VAL 112.A O no hydrogen 3.199 N/A GLU 101.A N LEU 110.A O no hydrogen 2.953 N/A TRP 102.A NE1 ARG 60.A O no hydrogen 2.806 N/A ASN 103.A N ARG 108.A O no hydrogen 2.849 N/A ASN 103.A ND2 ASP 172.A OD1 no hydrogen 3.421 N/A GLN 104.A NE2.B ASP 172.A OD1 no hydrogen 2.715 N/A ASP 105.A N ASN 103.A OD1 no hydrogen 2.728 N/A SER 106.A N ASN 103.A O no hydrogen 3.009 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 2.684 N/A ARG 107.A NE ASP 149.A OD1 no hydrogen 2.939 N/A ARG 107.A NH2 ASP 149.A OD2 no hydrogen 3.041 N/A ARG 108.A N ASP 105.A OD1 no hydrogen 2.843 N/A ARG 108.A NE ASP 105.A OD2 no hydrogen 2.717 N/A ARG 108.A NH2 ASP 105.A OD2 no hydrogen 2.974 N/A ARG 108.A NH2 ASP 172.A OD1 no hydrogen 2.763 N/A LEU 109.A N ILE 148.A O no hydrogen 2.870 N/A LEU 110.A N GLU 101.A O no hydrogen 2.748 N/A ALA 111.A N TRP 146.A O no hydrogen 2.876 N/A VAL 112.A N SER 99.A O no hydrogen 3.088 N/A GLY 113.A N THR 144.A O no hydrogen 2.857 N/A PHE 114.A N ASN 96.A O no hydrogen 3.056 N/A LYS 115.A N LYS 142.A O no hydrogen 2.907 N/A ARG 116.A NE GLU 141.A OE1 no hydrogen 2.843 N/A ARG 116.A NH1 MET 135.A O no hydrogen 3.087 N/A ARG 116.A NH2 MET 135.A O no hydrogen 2.724 N/A ARG 116.A NH2 GLU 141.A OE1 no hydrogen 2.827 N/A ARG 117.A N ASP 139.A O no hydrogen 2.861 N/A ARG 117.A NH1 ASP 126.A OD1 no hydrogen 3.128 N/A ARG 117.A NH1 ASP 126.A OD2 no hydrogen 3.266 N/A ARG 117.A NH2 PHE 124.A O no hydrogen 2.700 N/A ARG 117.A NH2 ASP 126.A OD2 no hydrogen 3.269 N/A GLU 118.A N ASP 139.A OD2 no hydrogen 2.796 N/A ASP 121.A N ASP 119.A OD2 no hydrogen 2.676 N/A PHE 122.A N ASP 119.A OD2 no hydrogen 3.122 N/A PHE 124.A N ASP 139.A OD1 no hydrogen 2.898 N/A ASP 126.A N GLU 125.A OE1 no hydrogen 3.198 N/A ASP 127.A N GLU 125.A OE1 no hydrogen 2.777 N/A VAL 128.A N ASP 127.A OD1 no hydrogen 2.905 N/A TRP 131.A NE1 PHE 488.A O no hydrogen 2.880 N/A PHE 132.A N GLY 136.A O no hydrogen 2.991 N/A ASP 133.A N ASP 490.A OD2 no hydrogen 2.746 N/A MET 135.A N PHE 132.A O no hydrogen 2.906 N/A GLY 136.A N PHE 132.A O no hydrogen 3.129 N/A PHE 138.A N ALA 130.A O no hydrogen 2.707 N/A GLY 140.A N GLU 125.A OE2 no hydrogen 3.086 N/A GLU 141.A N PHE 138.A O no hydrogen 2.865 N/A LYS 142.A N LYS 115.A O no hydrogen 2.873 N/A THR 143.A N LYS 161.A O no hydrogen 2.835 N/A THR 143.A OG1 PRO 162.A O no hydrogen 2.769 N/A THR 144.A N GLY 113.A O no hydrogen 2.964 N/A PHE 145.A N PHE 159.A O no hydrogen 2.862 N/A TRP 146.A N ALA 111.A O no hydrogen 2.819 N/A VAL 147.A N GLU 157.A O no hydrogen 2.815 N/A ILE 148.A N LEU 109.A O no hydrogen 2.764 N/A ASP 149.A N GLU 154.A O no hydrogen 2.778 N/A THR 150.A N ARG 107.A O no hydrogen 3.072 N/A THR 150.A OG1 ARG 107.A O no hydrogen 2.626 N/A GLU 151.A N ASP 149.A OD1 no hydrogen 2.976 N/A GLY 152.A N ASP 149.A OD2 no hydrogen 2.945 N/A GLU 154.A N ASP 149.A O no hydrogen 3.140 N/A ILE 156.A N VAL 147.A O no hydrogen 2.748 N/A PHE 159.A N PHE 145.A O no hydrogen 3.012 N/A LYS 161.A N THR 143.A O no hydrogen 2.842 N/A LYS 161.A NZ GLU 201.A OE1 no hydrogen 3.226 N/A LYS 161.A NZ GLU 201.A OE2 no hydrogen 2.780 N/A ARG 163.A NE GLU 141.A O no hydrogen 3.382 N/A ARG 163.A NH1 GLU 125.A OE1 no hydrogen 3.346 N/A ARG 163.A NH1 GLU 125.A OE2 no hydrogen 3.498 N/A ARG 163.A NH2 GLU 125.A OE1 no hydrogen 2.744 N/A ARG 163.A NH2 GLU 125.A OE2 no hydrogen 3.323 N/A SER 165.A N THR 143.A OG1 no hydrogen 3.077 N/A SER 165.A OG PRO 162.A O no hydrogen 2.891 N/A SER 166.A N SER 177.A O no hydrogen 2.839 N/A ILE 168.A N VAL 175.A O no hydrogen 3.123 N/A TRP 169.A N GLU 101.A OE1 no hydrogen 3.050 N/A TRP 169.A NE1 GLU 101.A O no hydrogen 3.094 N/A HIS 170.A N SER 173.A O no hydrogen 2.705 N/A HIS 170.A ND1 SER 215.A OG no hydrogen 2.592 N/A SER 173.A N HIS 170.A O no hydrogen 2.885 N/A ILE 174.A N TRP 196.A O no hydrogen 2.831 N/A VAL 175.A N ILE 168.A O no hydrogen 2.824 N/A VAL 176.A N TYR 194.A O no hydrogen 2.826 N/A SER 177.A N SER 166.A O no hydrogen 2.841 N/A VAL 178.A N ASP 192.A O no hydrogen 2.822 N/A HIS 180.A N TYR 190.A O no hydrogen 2.810 N/A HIS 180.A ND1 ASP 192.A OD1 no hydrogen 2.894 N/A HIS 180.A ND1 ASP 192.A OD2 no hydrogen 3.055 N/A HIS 180.A NE2 ASP 182.A OD1 no hydrogen 3.013 N/A ARG 181.A NE.B ASP 182.A O no hydrogen 3.388 N/A ARG 181.A NE.B VAL 183.A O no hydrogen 3.414 N/A ARG 181.A NH1.A ASP 127.A OD1 no hydrogen 2.831 N/A ARG 181.A NH1.A ASP 127.A OD2 no hydrogen 3.156 N/A ARG 181.A NH2.A ASP 127.A OD2 no hydrogen 2.791 N/A ARG 181.A NH2.B VAL 183.A O no hydrogen 3.130 N/A ASP 182.A N ILE 184.A O no hydrogen 2.969 N/A ARG 186.A N HIS 180.A O no hydrogen 2.679 N/A ARG 186.A NH1 ASP 182.A OD2 no hydrogen 2.914 N/A TYR 187.A OH VAL 128.A O no hydrogen 2.661 N/A LYS 189.A N ARG 186.A O no hydrogen 2.826 N/A LYS 189.A NZ LYS 229.A O no hydrogen 2.630 N/A TYR 190.A N ARG 186.A O no hydrogen 3.054 N/A TRP 191.A N VAL 208.A O no hydrogen 2.735 N/A ASP 192.A N VAL 178.A O no hydrogen 2.657 N/A ILE 193.A N PHE 205.A O no hydrogen 2.931 N/A TYR 194.A N VAL 176.A O no hydrogen 2.707 N/A LEU 195.A N GLU 202.A O no hydrogen 2.759 N/A TRP 196.A N ILE 174.A O no hydrogen 2.775 N/A LYS 197.A N GLU 200.A O no hydrogen 2.854 N/A GLU 200.A N LYS 197.A O no hydrogen 3.038 N/A GLU 202.A N LEU 195.A O no hydrogen 2.793 N/A LYS 203.A NZ GLU 206.A OE2 no hydrogen 2.778 N/A LEU 204.A N ILE 193.A O no hydrogen 2.682 N/A PHE 205.A N ILE 193.A O no hydrogen 3.170 N/A LYS 207.A N ASP 192.A OD1 no hydrogen 2.627 N/A LYS 207.A NZ HIS 180.A NE2 no hydrogen 3.426 N/A LYS 207.A NZ ASP 182.A OD1 no hydrogen 2.687 N/A LYS 207.A NZ ASP 182.A OD2 no hydrogen 2.725 N/A VAL 208.A N TRP 191.A O no hydrogen 2.827 N/A SER 209.A N PRO 226.A O no hydrogen 3.004 N/A SER 209.A OG LYS 189.A O no hydrogen 2.786 N/A TYR 211.A N TYR 223.A O no hydrogen 3.073 N/A ALA 212.A N SER 177.A OG no hydrogen 3.052 N/A ILE 213.A N LEU 221.A O no hydrogen 2.861 N/A ASP 214.A N LEU 221.A O no hydrogen 3.394 N/A SER 215.A N ASP 214.A OD1 no hydrogen 2.887 N/A SER 215.A OG HIS 170.A ND1 no hydrogen 2.592 N/A SER 215.A OG ARG 219.A O no hydrogen 3.392 N/A ASP 216.A N ARG 219.A O no hydrogen 2.994 N/A GLY 217.A N SER 215.A OG no hydrogen 2.843 N/A GLU 218.A N ASP 216.A OD1 no hydrogen 2.953 N/A ARG 219.A N ASP 216.A OD1 no hydrogen 2.715 N/A ARG 219.A NE ASP 216.A OD2 no hydrogen 2.791 N/A ARG 219.A NH2 ASP 216.A OD2 no hydrogen 2.877 N/A ILE 220.A N TYR 240.A O no hydrogen 2.860 N/A LEU 221.A N ASP 214.A O no hydrogen 2.760 N/A LEU 222.A N TYR 238.A O no hydrogen 2.810 N/A TYR 223.A N TYR 211.A O no hydrogen 2.828 N/A TYR 223.A OH VAL 255.A O no hydrogen 2.647 N/A GLY 224.A N LYS 236.A O no hydrogen 2.884 N/A LYS 225.A N SER 209.A O no hydrogen 2.922 N/A LYS 225.A NZ GLU 233.A OE1 no hydrogen 3.565 N/A LYS 228.A N SER 209.A OG no hydrogen 2.876 N/A LYS 228.A NZ VAL 231.A O no hydrogen 3.092 N/A LYS 228.A NZ GLU 233.A O no hydrogen 3.547 N/A LYS 228.A NZ ASP 235.A OD1 no hydrogen 2.483 N/A TYR 230.A N GLU 233.A OE2 no hydrogen 2.864 N/A VAL 231.A N GLU 498.A OE2 no hydrogen 2.739 N/A SER 232.A N GLU 498.A OE1 no hydrogen 2.772 N/A SER 232.A OG GLU 498.A OE1 no hydrogen 2.524 N/A GLU 233.A N TYR 230.A O no hydrogen 3.035 N/A HIS 234.A N GLU 411.A OE2 no hydrogen 2.763 N/A HIS 234.A NE2 TYR 409.A O no hydrogen 2.709 N/A ASP 235.A N GLU 254.A OE2 no hydrogen 2.885 N/A LYS 236.A N GLY 224.A O no hydrogen 2.802 N/A TYR 238.A N LEU 222.A O no hydrogen 2.959 N/A ILE 239.A N LYS 245.A O no hydrogen 2.796 N/A TYR 240.A N ILE 220.A O no hydrogen 2.802 N/A ASP 241.A N GLU 243.A O no hydrogen 3.223 N/A GLU 243.A N ASP 241.A OD1 no hydrogen 2.888 N/A LYS 245.A N ILE 239.A O no hydrogen 2.706 N/A LYS 245.A NZ ILE 239.A O no hydrogen 3.197 N/A LYS 245.A NZ GLU 243.A O no hydrogen 3.089 N/A ILE 247.A N ILE 237.A O no hydrogen 3.361 N/A ILE 251.A N LEU 248.A O no hydrogen 2.838 N/A ARG 253.A NE GLU 272.A OE2 no hydrogen 2.941 N/A ARG 253.A NH1 ASP 252.A O no hydrogen 2.796 N/A ARG 253.A NH2 GLU 272.A OE2 no hydrogen 2.802 N/A VAL 255.A N ASP 235.A O no hydrogen 2.926 N/A ALA 256.A N THR 268.A O no hydrogen 2.773 N/A LYS 259.A N TYR 266.A O no hydrogen 2.783 N/A LYS 259.A NZ PHE 297.A O no hydrogen 2.822 N/A LYS 259.A NZ ASP 298.A OD1 no hydrogen 3.477 N/A ILE 260.A N ASP 214.A OD2 no hydrogen 2.778 N/A ARG 261.A N LYS 264.A O no hydrogen 2.858 N/A GLY 263.A N ASP 216.A OD2 no hydrogen 2.778 N/A LYS 264.A N ARG 261.A O no hydrogen 3.368 N/A VAL 265.A N TRP 280.A O no hydrogen 2.933 N/A TYR 266.A N LYS 259.A O no hydrogen 2.836 N/A PHE 267.A N TYR 278.A O no hydrogen 2.989 N/A THR 268.A N GLN 257.A O no hydrogen 2.901 N/A THR 268.A OG1 GLN 257.A O no hydrogen 3.525 N/A LEU 269.A N ASN 276.A O no hydrogen 2.852 N/A PHE 270.A N GLU 254.A O no hydrogen 3.002 N/A GLU 271.A N SER 274.A O no hydrogen 2.798 N/A GLU 272.A N GLY 408.A O no hydrogen 2.624 N/A SER 274.A N GLU 271.A O no hydrogen 2.851 N/A SER 274.A OG GLY 290.A O no hydrogen 2.608 N/A VAL 275.A N HIS 292.A O no hydrogen 2.996 N/A ASN 276.A N LEU 269.A O no hydrogen 2.977 N/A ASN 276.A ND2 GLU 271.A OE1 no hydrogen 2.972 N/A LEU 277.A N ALA 288.A O no hydrogen 2.921 N/A TYR 278.A N PHE 267.A O no hydrogen 2.745 N/A TYR 278.A OH GLU 271.A OE1 no hydrogen 2.436 N/A LEU 279.A N ARG 285.A O no hydrogen 2.823 N/A TRP 280.A N VAL 265.A O no hydrogen 2.719 N/A ASP 281.A N GLU 283.A O no hydrogen 2.956 N/A GLU 283.A N ASP 281.A OD1 no hydrogen 3.385 N/A ARG 285.A N LEU 279.A O no hydrogen 2.618 N/A ARG 285.A NE ASP 281.A OD1 no hydrogen 3.232 N/A ARG 285.A NE ASP 281.A OD2 no hydrogen 3.434 N/A ARG 285.A NH2 ASP 281.A OD1 no hydrogen 3.536 N/A ILE 287.A N LEU 277.A O no hydrogen 2.904 N/A ALA 288.A N LEU 277.A O no hydrogen 3.035 N/A GLY 290.A N ASN 276.A OD1 no hydrogen 2.963 N/A HIS 292.A N GLY 290.A O no hydrogen 2.958 N/A HIS 292.A NE2 ALA 288.A O no hydrogen 2.913 N/A TRP 293.A N GLU 308.A O no hydrogen 2.880 N/A TRP 293.A NE1 GLY 273.A O no hydrogen 2.867 N/A ILE 294.A N VAL 275.A O no hydrogen 2.865 N/A MET 295.A N LEU 306.A O no hydrogen 2.919 N/A ASP 298.A N ILE 304.A O no hydrogen 3.032 N/A ASP 300.A N ARG 302.A O no hydrogen 2.872 N/A ILE 304.A N ASP 298.A O no hydrogen 2.988 N/A TYR 305.A N TYR 317.A O no hydrogen 2.943 N/A TYR 305.A OH GLU 323.A OE1 no hydrogen 2.630 N/A LEU 306.A N GLY 296.A O no hydrogen 2.855 N/A LYS 307.A N GLU 315.A O no hydrogen 2.897 N/A LYS 307.A NZ GLU 323.A OE1 no hydrogen 3.298 N/A LYS 307.A NZ GLU 323.A OE2 no hydrogen 2.701 N/A GLU 308.A N TRP 293.A O no hydrogen 2.787 N/A THR 309.A N ARG 312.A O no hydrogen 3.085 N/A THR 311.A OG1 GLU 341.A OE2 no hydrogen 3.004 N/A ARG 312.A N THR 309.A OG1 no hydrogen 3.166 N/A ARG 312.A NH1 GLU 315.A OE1 no hydrogen 3.039 N/A ARG 312.A NH1 ASP 328.A OD1 no hydrogen 2.925 N/A GLU 315.A N LYS 307.A O no hydrogen 3.018 N/A LEU 316.A N THR 327.A OG1 no hydrogen 2.881 N/A TYR 317.A N TYR 305.A O no hydrogen 2.793 N/A LEU 318.A N ARG 324.A O no hydrogen 2.777 N/A TRP 319.A N LEU 303.A O no hydrogen 2.900 N/A ASP 320.A N GLU 322.A O no hydrogen 2.710 N/A ARG 324.A N LEU 318.A O no hydrogen 2.682 N/A GLN 325.A NE2 THR 327.A O no hydrogen 2.711 N/A LEU 326.A N LEU 316.A O no hydrogen 2.762 N/A THR 327.A N LEU 316.A O no hydrogen 3.164 N/A THR 327.A OG1 GLU 315.A OE2 no hydrogen 2.834 N/A TYR 329.A N GLU 315.A OE2 no hydrogen 2.922 N/A TYR 329.A OH TYR 25.A OH no hydrogen 2.543 N/A ASN 330.A N GLU 315.A OE1 no hydrogen 2.917 N/A ASN 330.A ND2 ALA 11.A O no hydrogen 3.009 N/A GLY 331.A N ASP 328.A O no hydrogen 3.134 N/A PHE 334.A N ASN 330.A O no hydrogen 2.895 N/A LYS 335.A N GLY 331.A O no hydrogen 3.098 N/A LYS 336.A N ILE 333.A O no hydrogen 2.967 N/A PHE 340.A N GLN 389.A OE1 no hydrogen 2.684 N/A ARG 343.A N TYR 358.A O no hydrogen 2.639 N/A HIS 344.A NE2 ASP 355.A OD1 no hydrogen 2.792 N/A PHE 345.A N GLY 356.A O no hydrogen 2.780 N/A ARG 346.A NE ASP 355.A OD1 no hydrogen 3.040 N/A ARG 346.A NH1 GLU 353.A OE1 no hydrogen 2.777 N/A ARG 346.A NH2 ASP 355.A OD1 no hydrogen 2.812 N/A PHE 347.A N LEU 354.A O no hydrogen 3.012 N/A LYS 348.A NZ.A ILE 350.A O no hydrogen 2.675 N/A SER 349.A N LEU 352.A O no hydrogen 2.687 N/A SER 349.A OG ASP 428.A OD1 no hydrogen 2.590 N/A LEU 352.A N SER 349.A O no hydrogen 2.907 N/A LEU 354.A N PHE 347.A O no hydrogen 2.747 N/A GLY 356.A N PHE 345.A O no hydrogen 2.831 N/A TRP 357.A N TYR 400.A O no hydrogen 2.846 N/A TRP 357.A NE1 TYR 382.A OH no hydrogen 2.767 N/A TYR 358.A N ARG 343.A O no hydrogen 3.019 N/A TYR 358.A OH GLU 440.A OE1 no hydrogen 2.714 N/A ILE 359.A N ILE 398.A O no hydrogen 2.720 N/A LYS 360.A NZ GLN 442.A OE1 no hydrogen 2.652 N/A ALA 366.A N GLN 442.A O no hydrogen 2.741 N/A VAL 368.A N ARG 447.A O no hydrogen 2.802 N/A ILE 369.A N TYR 397.A O no hydrogen 2.791 N/A VAL 370.A N GLY 449.A O no hydrogen 2.696 N/A PHE 371.A N VAL 399.A O no hydrogen 2.991 N/A VAL 372.A N THR 451.A O no hydrogen 2.917 N/A HIS 373.A ND1 GLY 374.A O no hydrogen 2.722 N/A HIS 373.A NE2 SER 406.A OG no hydrogen 2.691 N/A LYS 377.A NZ SER 232.A O no hydrogen 2.769 N/A LYS 377.A NZ HIS 234.A ND1 no hydrogen 2.986 N/A LYS 377.A NZ GLU 254.A OE2 no hydrogen 3.010 N/A TYR 380.A N ASN 402.A OD1 no hydrogen 2.790 N/A TYR 382.A N GLY 273.A O no hydrogen 2.892 N/A PHE 384.A N GLU 308.A OE1 no hydrogen 2.817 N/A LYS 385.A NZ.B GLY 381.A O no hydrogen 2.932 N/A LYS 385.A NZ.B TYR 383.A O no hydrogen 2.769 N/A LYS 385.A NZ.B TYR 400.A OH no hydrogen 3.535 N/A TYR 386.A OH ASP 3.A O no hydrogen 2.599 N/A GLU 387.A N GLU 387.A OE1 no hydrogen 2.646 N/A MET 388.A N LYS 385.A O no hydrogen 2.984 N/A GLN 389.A N LYS 385.A O no hydrogen 3.375 N/A GLN 389.A NE2 PHE 340.A O no hydrogen 2.870 N/A LEU 390.A N TYR 386.A O no hydrogen 2.874 N/A MET 391.A N GLU 387.A O no hydrogen 2.754 N/A ALA 392.A N MET 388.A O no hydrogen 2.874 N/A SER 393.A N GLN 389.A O no hydrogen 2.957 N/A SER 393.A OG LEU 390.A O no hydrogen 2.722 N/A LYS 394.A N LEU 390.A O no hydrogen 3.271 N/A LYS 394.A N MET 391.A O no hydrogen 3.064 N/A GLY 395.A N ALA 392.A O no hydrogen 3.120 N/A TYR 396.A N MET 391.A O no hydrogen 3.087 N/A TYR 396.A OH GLU 589.A OE1 no hydrogen 2.677 N/A TYR 397.A N PRO 367.A O no hydrogen 3.004 N/A TYR 397.A OH GLU 440.A OE2 no hydrogen 2.571 N/A ILE 398.A N ILE 359.A O no hydrogen 3.004 N/A VAL 399.A N ILE 369.A O no hydrogen 2.983 N/A TYR 400.A N TRP 357.A O no hydrogen 2.949 N/A ASN 402.A N ASP 355.A O no hydrogen 3.152 N/A ASN 402.A ND2 TYR 380.A O no hydrogen 2.774 N/A ASN 402.A ND2 TYR 409.A OH no hydrogen 2.907 N/A ARG 404.A N ASP 428.A OD2 no hydrogen 2.840 N/A ARG 404.A NE ASP 428.A OD1 no hydrogen 3.281 N/A ARG 404.A NE ASP 428.A OD2 no hydrogen 2.869 N/A ARG 404.A NH1 ASP 351.A OD1 no hydrogen 2.825 N/A ARG 404.A NH2 SER 349.A O no hydrogen 3.067 N/A ARG 404.A NH2 ASP 351.A OD1 no hydrogen 3.283 N/A ARG 404.A NH2 ASP 428.A OD1 no hydrogen 2.787 N/A GLY 405.A N PHE 413.A O no hydrogen 2.848 N/A SER 406.A N PRO 403.A O no hydrogen 2.980 N/A SER 406.A OG HIS 373.A NE2 no hydrogen 2.691 N/A SER 406.A OG PRO 403.A O no hydrogen 2.643 N/A ASN 407.A N GLY 378.A O no hydrogen 2.877 N/A ASN 407.A ND2 GLU 254.A OE1 no hydrogen 2.583 N/A GLY 408.A N ASN 407.A OD1 no hydrogen 2.917 N/A TYR 409.A OH ASP 355.A OD2 no hydrogen 2.768 N/A GLU 411.A N ASP 252.A OD1 no hydrogen 2.968 N/A GLU 411.A N ASP 252.A OD2 no hydrogen 3.321 N/A PHE 413.A N SER 410.A OG no hydrogen 3.070 N/A ALA 414.A N SER 410.A O no hydrogen 3.306 N/A LEU 415.A N GLU 411.A O no hydrogen 2.969 N/A ARG 416.A N ASP 412.A O no hydrogen 3.022 N/A ARG 416.A NH1 ASP 351.A OD2 no hydrogen 2.962 N/A LEU 418.A N LEU 415.A O no hydrogen 3.094 N/A GLU 419.A N VAL 499.A O no hydrogen 2.689 N/A ARG 420.A N VAL 417.A O no hydrogen 2.827 N/A ARG 420.A NE GLU 424.A OE1 no hydrogen 2.978 N/A ARG 420.A NH2 GLU 424.A OE2 no hydrogen 2.767 N/A GLY 422.A N ASP 425.A OD1 no hydrogen 2.742 N/A LEU 423.A N ARG 420.A O no hydrogen 2.934 N/A GLN 427.A N LEU 423.A O no hydrogen 3.161 N/A ASP 428.A N GLU 424.A O no hydrogen 2.819 N/A ILE 429.A N ASP 425.A O no hydrogen 3.199 N/A LEU 430.A N PHE 426.A O no hydrogen 2.963 N/A ASN 431.A N GLN 427.A O no hydrogen 2.782 N/A ASN 431.A ND2 SER 349.A OG no hydrogen 2.755 N/A GLY 432.A N ASP 428.A O no hydrogen 2.844 N/A ILE 433.A N ILE 429.A O no hydrogen 2.863 N/A GLU 434.A N LEU 430.A O no hydrogen 2.969 N/A GLU 435.A N ASN 431.A O no hydrogen 2.913 N/A PHE 436.A N GLY 432.A O no hydrogen 2.917 N/A LEU 437.A N ILE 433.A O no hydrogen 2.902 N/A ARG 438.A N GLU 434.A O no hydrogen 3.113 N/A ARG 438.A NE GLU 435.A OE1 no hydrogen 3.463 N/A ARG 438.A NE GLU 435.A OE2 no hydrogen 2.993 N/A ARG 438.A NH2 GLU 435.A OE1 no hydrogen 2.852 N/A LEU 439.A N GLU 435.A O no hydrogen 2.905 N/A ALA 443.A N GLU 440.A O no hydrogen 3.013 N/A ASP 444.A N ALA 366.A O no hydrogen 2.852 N/A GLU 446.A N ASP 444.A OD1 no hydrogen 2.871 N/A ARG 447.A N ASP 444.A O no hydrogen 2.873 N/A ARG 447.A NE ASP 444.A OD2 no hydrogen 2.705 N/A ARG 447.A NH1 LYS 593.A O no hydrogen 3.069 N/A ARG 447.A NH2 LYS 365.A O no hydrogen 3.380 N/A ARG 447.A NH2 ASP 444.A OD2 no hydrogen 3.053 N/A GLY 449.A N VAL 368.A O no hydrogen 2.658 N/A ILE 450.A N ALA 472.A O no hydrogen 2.990 N/A THR 451.A N VAL 370.A O no hydrogen 2.767 N/A THR 451.A OG1 ILE 474.A O no hydrogen 2.754 N/A GLY 452.A N ILE 474.A O no hydrogen 3.349 N/A SER 454.A N GLU 476.A O no hydrogen 2.832 N/A SER 454.A OG HIS 566.A NE2 no hydrogen 2.557 N/A TYR 455.A OH ASP 425.A OD2 no hydrogen 2.475 N/A GLY 456.A N ILE 453.A O no hydrogen 2.870 N/A TYR 458.A N SER 454.A O no hydrogen 2.876 N/A TYR 458.A OH THR 421.A O no hydrogen 3.094 N/A TYR 458.A OH LEU 513.A O no hydrogen 2.839 N/A MET 459.A N TYR 455.A O no hydrogen 2.759 N/A THR 460.A N GLY 456.A O no hydrogen 2.927 N/A THR 460.A OG1 GLY 456.A O no hydrogen 2.743 N/A ASN 461.A N GLY 457.A O no hydrogen 2.894 N/A ASN 461.A ND2 ILE 479.A O no hydrogen 2.868 N/A TRP 462.A N TYR 458.A O no hydrogen 2.823 N/A TRP 462.A NE1 GLY 422.A O no hydrogen 2.751 N/A ALA 463.A N MET 459.A O no hydrogen 2.769 N/A LEU 464.A N THR 460.A O no hydrogen 3.132 N/A THR 465.A N ASN 461.A O no hydrogen 3.198 N/A THR 465.A N TRP 462.A O no hydrogen 2.956 N/A THR 465.A OG1 TRP 462.A O no hydrogen 2.723 N/A GLN 466.A N ALA 463.A O no hydrogen 3.288 N/A GLN 466.A NE2 THR 465.A OG1 no hydrogen 3.059 N/A SER 467.A N ALA 463.A O no hydrogen 2.909 N/A LEU 469.A N SER 467.A OG no hydrogen 2.830 N/A LYS 471.A N ILE 448.A O no hydrogen 2.707 N/A LYS 471.A NZ GLU 446.A OE1.A no hydrogen 3.440 N/A GLY 473.A N PRO 525.A O no hydrogen 3.158 N/A ILE 474.A N ILE 450.A O no hydrogen 3.012 N/A SER 475.A N LEU 527.A O no hydrogen 2.811 N/A SER 475.A OG GLY 457.A O no hydrogen 3.117 N/A SER 475.A OG ASN 461.A OD1 no hydrogen 2.740 N/A GLU 476.A N GLY 452.A O no hydrogen 3.020 N/A ASN 477.A N ILE 529.A O no hydrogen 2.820 N/A ASN 477.A ND2 SER 531.A OG no hydrogen 3.151 N/A ASN 477.A ND2 ASP 534.A OD2 no hydrogen 2.711 N/A SER 480.A N GLN 541.A OE1 no hydrogen 2.810 N/A SER 480.A OG GLN 541.A O no hydrogen 2.774 N/A TYR 481.A N GLN 541.A OE1 no hydrogen 2.919 N/A TRP 482.A N SER 514.A OG no hydrogen 2.882 N/A TRP 482.A NE1 LEU 513.A O no hydrogen 3.094 N/A THR 484.A OG1 TYR 481.A O no hydrogen 3.158 N/A THR 484.A OG1 ASP 540.A OD1 no hydrogen 2.664 N/A SER 485.A N TYR 481.A O no hydrogen 3.238 N/A SER 485.A OG ASP 496.A OD1 no hydrogen 3.021 N/A SER 485.A OG ASP 496.A OD2 no hydrogen 3.055 N/A TYR 486.A N TRP 482.A O no hydrogen 2.821 N/A ALA 487.A N LEU 483.A O no hydrogen 3.170 N/A PHE 488.A N THR 484.A O no hydrogen 2.810 N/A SER 489.A N SER 485.A O no hydrogen 3.186 N/A SER 489.A OG SER 485.A O no hydrogen 2.713 N/A ASP 490.A N TYR 535.A O no hydrogen 2.782 N/A TRP 494.A N ILE 491.A O no hydrogen 3.283 N/A PHE 495.A N ILE 491.A O no hydrogen 2.859 N/A ASP 496.A N GLY 492.A O no hydrogen 2.980 N/A GLU 498.A N TRP 494.A O no hydrogen 3.339 N/A VAL 499.A N PHE 495.A O no hydrogen 2.894 N/A ILE 500.A N ASP 496.A O no hydrogen 2.837 N/A GLY 501.A N ASP 496.A O no hydrogen 2.972 N/A GLU 506.A N ASN 503.A O no hydrogen 2.801 N/A ASN 507.A N ASN 503.A O no hydrogen 2.756 N/A ASN 507.A ND2 ASP 502.A O no hydrogen 2.886 N/A ASN 509.A N ASN 507.A OD1 no hydrogen 2.759 N/A ASN 509.A ND2 GLU 419.A O no hydrogen 3.229 N/A ASN 509.A ND2 ILE 500.A O no hydrogen 3.096 N/A TYR 510.A N ASN 507.A O no hydrogen 3.181 N/A TYR 510.A OH GLY 501.A O no hydrogen 2.572 N/A ARG 511.A N GLU 508.A O no hydrogen 3.196 N/A ARG 511.A NE TYR 481.A OH no hydrogen 3.073 N/A LYS 512.A N GLU 508.A O no hydrogen 2.996 N/A LEU 513.A N ASN 509.A O no hydrogen 3.059 N/A SER 514.A N ARG 511.A O no hydrogen 3.091 N/A SER 514.A OG TYR 510.A O no hydrogen 2.482 N/A LEU 516.A N SER 480.A O no hydrogen 2.792 N/A PHE 517.A N SER 514.A O no hydrogen 3.261 N/A TYR 518.A N PRO 515.A O no hydrogen 2.882 N/A TYR 518.A OH LYS 512.A O no hydrogen 2.563 N/A ALA 519.A N LEU 516.A O no hydrogen 3.295 N/A LYS 520.A NZ.B ASN 521.A OD1 no hydrogen 2.657 N/A ASN 521.A N TYR 518.A O no hydrogen 2.841 N/A ASN 521.A ND2 THR 465.A O no hydrogen 2.705 N/A VAL 522.A N ALA 519.A O no hydrogen 3.061 N/A LEU 526.A N GLU 555.A O no hydrogen 3.238 N/A LEU 527.A N GLY 473.A O no hydrogen 3.002 N/A LEU 528.A N TYR 557.A O no hydrogen 2.804 N/A ILE 529.A N SER 475.A O no hydrogen 2.925 N/A HIS 530.A N ALA 559.A O no hydrogen 2.870 N/A HIS 530.A ND1 SER 542.A OG no hydrogen 2.742 N/A HIS 530.A NE2 CYS 537.A O no hydrogen 2.581 N/A SER 531.A OG GLY 564.A O no hydrogen 2.892 N/A SER 531.A OG ALA 565.A O no hydrogen 2.959 N/A LEU 532.A N PHE 561.A O no hydrogen 2.973 N/A GLU 533.A N GLY 564.A O no hydrogen 2.982 N/A ASP 534.A N SER 531.A O no hydrogen 3.359 N/A TYR 535.A N ASP 133.A OD1 no hydrogen 3.334 N/A ARG 536.A N ASP 534.A OD1 no hydrogen 2.826 N/A ARG 536.A NE ASP 490.A OD1 no hydrogen 2.827 N/A ARG 536.A NE ASP 490.A OD2 no hydrogen 3.326 N/A ARG 536.A NH1 ASP 490.A OD2 no hydrogen 2.898 N/A CYS 537.A N ASP 534.A OD1 no hydrogen 2.775 N/A CYS 537.A SG ASN 477.A O no hydrogen 3.484 N/A GLN 541.A N PRO 538.A O no hydrogen 2.999 N/A GLN 541.A NE2 TYR 481.A O no hydrogen 2.979 N/A SER 542.A N LEU 539.A O no hydrogen 2.973 N/A SER 542.A OG HIS 530.A ND1 no hydrogen 2.742 N/A LEU 543.A N LEU 539.A O no hydrogen 2.866 N/A MET 544.A N ASP 540.A O no hydrogen 2.864 N/A TYR 546.A N SER 542.A O no hydrogen 2.878 N/A HIS 547.A N LEU 543.A O no hydrogen 2.886 N/A VAL 548.A N MET 544.A O no hydrogen 2.937 N/A LEU 549.A N PHE 545.A O no hydrogen 2.834 N/A LYS 550.A N TYR 546.A O no hydrogen 2.841 N/A ASP 551.A N HIS 547.A O no hydrogen 2.800 N/A LEU 552.A N VAL 548.A O no hydrogen 2.954 N/A LEU 552.A N LEU 549.A O no hydrogen 3.142 N/A GLY 553.A N LYS 550.A O no hydrogen 2.908 N/A LYS 554.A N LEU 549.A O no hydrogen 2.995 N/A LYS 554.A NZ LYS 520.A O no hydrogen 2.787 N/A LYS 554.A NZ VAL 522.A O no hydrogen 2.760 N/A TYR 557.A N LEU 526.A O no hydrogen 2.955 N/A TYR 557.A OH GLU 555.A OE1 no hydrogen 2.488 N/A ALA 559.A N LEU 528.A O no hydrogen 2.769 N/A PHE 561.A N HIS 530.A O no hydrogen 2.819 N/A GLY 564.A N GLU 533.A OE1 no hydrogen 2.585 N/A HIS 566.A N ASP 133.A OD1 no hydrogen 2.834 N/A HIS 566.A ND1 ASP 534.A OD2 no hydrogen 2.672 N/A HIS 566.A NE2 SER 454.A OG no hydrogen 2.557 N/A HIS 568.A N ALA 565.A O no hydrogen 3.228 N/A HIS 568.A ND1 HIS 576.A NE2 no hydrogen 2.793 N/A HIS 568.A NE2 ASN 477.A OD1 no hydrogen 2.786 N/A ILE 570.A N GLY 567.A O no hydrogen 2.981 N/A ARG 571.A N GLY 567.A O no hydrogen 2.858 N/A GLY 572.A N HIS 568.A O no hydrogen 2.788 N/A SER 573.A OG ASN 35.A OD1 no hydrogen 3.218 N/A ARG 575.A N ASN 35.A OD1 no hydrogen 2.884 N/A HIS 576.A N SER 573.A OG no hydrogen 3.139 N/A HIS 576.A NE2 HIS 568.A ND1 no hydrogen 2.793 N/A ARG 577.A N SER 573.A O no hydrogen 2.786 N/A ARG 577.A NE SER 569.A O no hydrogen 2.780 N/A ARG 577.A NH1 TYR 37.A OH no hydrogen 3.030 N/A ARG 577.A NH2 TYR 581.A OH no hydrogen 2.886 N/A MET 578.A N PRO 574.A O no hydrogen 2.817 N/A LYS 579.A N ARG 575.A O no hydrogen 3.011 N/A ARG 580.A N HIS 576.A O no hydrogen 3.068 N/A ARG 580.A NE GLU 476.A OE1 no hydrogen 2.711 N/A ARG 580.A NH1 GLU 387.A OE2 no hydrogen 2.782 N/A ARG 580.A NH1 GLU 476.A OE1 no hydrogen 3.341 N/A ARG 580.A NH1 GLU 476.A OE2 no hydrogen 2.738 N/A ARG 580.A NH2 GLU 387.A OE2 no hydrogen 2.917 N/A TYR 581.A N ARG 577.A O no hydrogen 2.934 N/A LYS 582.A N MET 578.A O no hydrogen 2.967 N/A LYS 582.A NZ GLU 586.A OE2 no hydrogen 2.884 N/A LEU 583.A N LYS 579.A O no hydrogen 2.927 N/A PHE 584.A N ARG 580.A O no hydrogen 2.857 N/A MET 585.A N TYR 581.A O no hydrogen 2.885 N/A GLU 586.A N LYS 582.A O no hydrogen 2.909 N/A PHE 587.A N LEU 583.A O no hydrogen 2.812 N/A PHE 588.A N PHE 584.A O no hydrogen 3.352 N/A GLU 589.A N MET 585.A O no hydrogen 2.879 N/A ARG 590.A N GLU 586.A O no hydrogen 2.863 N/A ARG 590.A NE GLU 586.A OE1 no hydrogen 2.863 N/A ARG 590.A NH1 GLU 596.A OE1 no hydrogen 2.847 N/A ARG 590.A NH2 GLU 586.A OE1 no hydrogen 3.333 N/A LYS 591.A NZ GLU 555.A OE1 no hydrogen 2.735 N/A LYS 591.A NZ GLU 596.A O no hydrogen 2.568 N/A LYS 591.A NZ GLY 598.A O no hydrogen 2.742 N/A LEU 592.A N PHE 588.A O no hydrogen 2.862 N/A LYS 593.A N PHE 588.A O no hydrogen 2.889 N/A LYS 593.A NZ LYS 394.A O no hydrogen 2.551 N/A LYS 593.A NZ GLU 589.A OE1 no hydrogen 2.572 N/A LYS 593.A NZ GLU 589.A OE2 no hydrogen 3.313 N/A LYS 594.A N GLU 589.A O no hydrogen 3.354 N/A TYR 595.A OH GLU 555.A OE2 no hydrogen 2.485 N/A GLU 596.A N ARG 590.A O no hydrogen 2.891 N/A LYS 603.A N ASP 600.A OD2 no hydrogen 3.358 N/A ILE 604.A N ASP 600.A O no hydrogen 2.903 N/A LEU 605.A N VAL 601.A O no hydrogen 2.784 N/A LYS 606.A N GLU 602.A O no hydrogen 3.129 N/A