Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5fkc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N SER 2.A OG no hydrogen 3.238 N/A THR 6.A N ASP 4.A OD1 no hydrogen 2.851 N/A THR 6.A OG1 ASP 4.A OD1 no hydrogen 2.543 N/A THR 6.A OG1 ASP 4.A OD2 no hydrogen 3.480 N/A THR 13.A N ASN 11.A OD1 no hydrogen 3.274 N/A THR 13.A OG1 ASN 11.A OD1 no hydrogen 2.634 N/A LEU 14.A N ASN 11.A O no hydrogen 3.298 N/A CYS 15.A N LEU 12.A O no hydrogen 3.000 N/A CYS 15.A SG LEU 12.A O no hydrogen 3.313 N/A ALA 18.A N LYS 364.A O no hydrogen 2.858 N/A THR 19.A N GLY 16.A O no hydrogen 3.315 N/A THR 19.A OG1 GLY 16.A O no hydrogen 2.708 N/A LEU 20.A N GLN 365.A O no hydrogen 2.894 N/A PHE 21.A N ALA 18.A O no hydrogen 3.299 N/A ARG 25.A N THR 22.A O no hydrogen 3.430 N/A ARG 25.A NH2 ALA 32.A O no hydrogen 2.848 N/A LYS 27.A N ASP 541.A OD1 no hydrogen 2.858 N/A ALA 28.A N ASP 541.A OD1 no hydrogen 3.088 N/A ALA 28.A N ASP 541.A OD2 no hydrogen 3.288 N/A ARG 29.A NE ASP 541.A OD2 no hydrogen 2.859 N/A ARG 29.A NH1 PHE 372.A O no hydrogen 2.894 N/A ARG 29.A NH1 GLU 546.A OE1 no hydrogen 2.717 N/A ARG 29.A NH2 GLU 546.A OE1 no hydrogen 3.076 N/A GLY 35.A N GLY 367.A O no hydrogen 3.010 N/A TRP 36.A N HIS 58.A O no hydrogen 3.158 N/A TRP 36.A NE1 ASN 38.A OD1 no hydrogen 2.775 N/A MET 37.A N GLN 369.A O no hydrogen 3.021 N/A ASN 38.A N GLN 56.A O no hydrogen 2.934 N/A MET 41.A N GLY 54.A O no hydrogen 2.941 N/A GLY 42.A N GLY 106.A O no hydrogen 2.930 N/A TYR 44.A N HIS 52.A O no hydrogen 3.117 N/A GLN 45.A NE2 GLY 49.A O no hydrogen 2.961 N/A ARG 46.A N SER 50.A O no hydrogen 2.761 N/A ARG 46.A NE SER 50.A OG no hydrogen 2.872 N/A ARG 46.A NH1 ASP 150.A O no hydrogen 2.786 N/A ARG 46.A NH2 SER 50.A OG no hydrogen 3.042 N/A GLY 49.A N ARG 46.A O no hydrogen 2.902 N/A SER 50.A N ASP 48.A OD1 no hydrogen 2.920 N/A SER 50.A OG ASP 48.A OD1 no hydrogen 2.585 N/A ILE 51.A N SER 74.A O no hydrogen 2.688 N/A HIS 52.A N TYR 44.A O no hydrogen 2.852 N/A HIS 52.A ND1 GLY 42.A O no hydrogen 2.771 N/A ALA 53.A N ALA 72.A O no hydrogen 2.997 N/A GLY 54.A N MET 41.A O no hydrogen 2.855 N/A TYR 55.A N GLY 70.A O no hydrogen 2.850 N/A GLN 56.A N ALA 39.A O no hydrogen 2.865 N/A GLN 56.A NE2 VAL 103.A O no hydrogen 2.795 N/A SER 57.A N SER 68.A O no hydrogen 2.796 N/A HIS 58.A N TRP 36.A O no hydrogen 2.890 N/A LYS 60.A N GLU 34.A OE1 no hydrogen 2.732 N/A HIS 61.A ND1 PRO 59.A O no hydrogen 2.752 N/A HIS 61.A NE2 ASP 611.A OD1 no hydrogen 2.797 N/A ILE 62.A N TYR 624.A OXT no hydrogen 2.761 N/A GLN 63.A N TYR 624.A O no hydrogen 3.103 N/A GLN 63.A NE2 ILE 62.A O no hydrogen 2.887 N/A SER 68.A N SER 57.A O no hydrogen 3.113 N/A SER 68.A OG ASN 66.A O no hydrogen 2.901 N/A GLN 69.A N ILE 92.A O no hydrogen 2.801 N/A GLN 69.A NE2 THR 91.A OG1 no hydrogen 3.025 N/A GLY 70.A N TYR 55.A O no hydrogen 2.874 N/A ALA 71.A N TYR 89.A O no hydrogen 3.043 N/A ALA 72.A N ALA 53.A O no hydrogen 3.019 N/A TYR 73.A N THR 81.A O no hydrogen 2.929 N/A SER 74.A N ILE 51.A O no hydrogen 3.029 N/A SER 74.A OG SER 79.A O no hydrogen 2.783 N/A ASP 76.A N SER 74.A OG no hydrogen 3.043 N/A THR 78.A N ASP 76.A OD1 no hydrogen 2.905 N/A THR 78.A OG1 ASP 76.A O no hydrogen 2.708 N/A THR 78.A OG1 THR 423.A OG1 no hydrogen 2.810 N/A SER 79.A N ASP 76.A OD1 no hydrogen 2.891 N/A TRP 80.A N ALA 596.A O no hydrogen 2.748 N/A TRP 80.A NE1 PHE 77.A O no hydrogen 2.965 N/A THR 81.A N TYR 73.A O no hydrogen 2.874 N/A PHE 83.A N ALA 71.A O no hydrogen 3.298 N/A GLY 85.A N GLY 88.A O no hydrogen 2.840 N/A GLY 88.A N GLY 85.A O no hydrogen 3.096 N/A TYR 89.A OH GLU 34.A OE2 no hydrogen 2.636 N/A LYS 90.A N GLU 87.A O no hydrogen 3.134 N/A LYS 90.A NZ SER 68.A OG no hydrogen 3.204 N/A THR 91.A N GLN 69.A O no hydrogen 2.815 N/A ILE 92.A N GLN 69.A O no hydrogen 3.497 N/A SER 95.A N ASP 99.A OD1 no hydrogen 2.952 N/A GLN 96.A N ASP 99.A OD1 no hydrogen 3.032 N/A ASP 99.A N GLN 96.A O no hydrogen 2.994 N/A ARG 101.A N THR 124.A O no hydrogen 2.993 N/A ARG 101.A NH1 SER 125.A O no hydrogen 2.867 N/A ARG 101.A NH1 GLY 127.A O no hydrogen 2.705 N/A ARG 101.A NH2 GLY 127.A O no hydrogen 3.250 N/A GLY 102.A N ASP 99.A O no hydrogen 2.989 N/A VAL 103.A N ILE 67.A O no hydrogen 2.827 N/A PHE 104.A N THR 122.A O no hydrogen 2.884 N/A SER 107.A N LEU 120.A O no hydrogen 2.972 N/A SER 107.A OG PRO 181.A O no hydrogen 2.709 N/A ILE 109.A N THR 118.A O no hydrogen 2.647 N/A GLY 112.A N TYR 116.A O no hydrogen 2.888 N/A ILE 113.A N THR 118.A OG1 no hydrogen 2.870 N/A GLY 115.A N GLY 112.A O no hydrogen 2.902 N/A TYR 116.A N ILE 113.A O no hydrogen 2.890 N/A THR 118.A N ILE 109.A O no hydrogen 2.849 N/A THR 118.A OG1 TYR 116.A O no hydrogen 2.862 N/A ILE 119.A N ALA 145.A O no hydrogen 2.739 N/A LEU 120.A N SER 107.A O no hydrogen 2.939 N/A TYR 121.A N SER 143.A O no hydrogen 2.879 N/A TYR 121.A OH ASP 99.A OD2 no hydrogen 2.708 N/A THR 122.A N ASP 105.A O no hydrogen 2.992 N/A THR 122.A OG1 GLN 142.A OE1 no hydrogen 2.682 N/A SER 123.A N THR 141.A O no hydrogen 2.780 N/A SER 123.A OG THR 141.A OG1 no hydrogen 2.729 N/A SER 123.A OG SER 143.A OG no hydrogen 2.743 N/A THR 124.A N GLY 102.A O no hydrogen 3.122 N/A THR 124.A OG1 GLY 102.A O no hydrogen 2.922 N/A SER 125.A N THR 139.A O no hydrogen 2.860 N/A SER 125.A OG ILE 97.A O no hydrogen 2.726 N/A GLY 130.A N GLU 135.A OE1 no hydrogen 3.204 N/A LEU 133.A N GLY 130.A O no hydrogen 3.179 N/A THR 139.A N ALA 136.A O no hydrogen 3.337 N/A THR 139.A OG1 PHE 126.A O.A no hydrogen 2.728 N/A THR 139.A OG1 PHE 126.A O.C no hydrogen 2.733 N/A THR 139.A OG1 ALA 136.A O no hydrogen 3.447 N/A THR 141.A N SER 123.A O no hydrogen 2.880 N/A THR 141.A OG1 SER 123.A O no hydrogen 3.130 N/A THR 141.A OG1 SER 123.A OG no hydrogen 2.729 N/A GLN 142.A N ILE 167.A O no hydrogen 2.786 N/A GLN 142.A NE2 PHE 178.A O no hydrogen 2.969 N/A SER 143.A N TYR 121.A O no hydrogen 2.840 N/A SER 143.A OG SER 123.A OG no hydrogen 2.743 N/A LEU 144.A N ASN 164.A OD1 no hydrogen 2.851 N/A ALA 145.A N ILE 119.A O no hydrogen 3.016 N/A TYR 146.A N ILE 155.A O no hydrogen 2.891 N/A THR 147.A N PRO 117.A O no hydrogen 3.001 N/A THR 147.A OG1 ASP 149.A OD1 no hydrogen 2.782 N/A THR 147.A OG1 SER 153.A O no hydrogen 2.729 N/A ASP 149.A N THR 147.A OG1 no hydrogen 3.227 N/A GLY 151.A N THR 147.A OG1 no hydrogen 2.887 N/A ALA 152.A N ASP 149.A O no hydrogen 3.306 N/A SER 153.A N ASP 149.A OD1 no hydrogen 2.819 N/A SER 153.A OG ASP 149.A OD1 no hydrogen 3.402 N/A SER 153.A OG ASP 149.A OD2 no hydrogen 2.670 N/A ILE 155.A N TYR 146.A O no hydrogen 2.743 N/A LYS 156.A NZ TRP 93.A O no hydrogen 2.742 N/A LYS 156.A NZ SER 95.A OG no hydrogen 2.806 N/A LYS 156.A NZ ASP 99.A OD2 no hydrogen 2.668 N/A LEU 157.A N LEU 144.A O no hydrogen 3.203 N/A GLY 160.A N ASN 164.A O no hydrogen 2.881 N/A GLN 163.A N GLY 160.A O no hydrogen 2.972 N/A ASN 164.A N GLY 158.A O no hydrogen 2.805 N/A ASN 164.A ND2 TYR 98.A OH no hydrogen 3.198 N/A ASN 164.A ND2 LEU 144.A O no hydrogen 2.932 N/A ASN 164.A ND2 LEU 157.A O no hydrogen 3.214 N/A VAL 166.A N GLN 142.A O no hydrogen 2.797 N/A ILE 167.A N GLN 142.A O no hydrogen 3.136 N/A TRP 170.A N GLU 137.A OE2 no hydrogen 2.816 N/A THR 173.A OG1 ASN 174.A OD1 no hydrogen 2.765 N/A THR 176.A N GLY 213.A O no hydrogen 2.967 N/A THR 176.A OG1 ILE 259.A O no hydrogen 3.556 N/A THR 176.A OG1 ASN 260.A OD1 no hydrogen 2.627 N/A PHE 178.A N GLU 140.A OE1 no hydrogen 3.047 N/A ARG 179.A N SER 211.A O no hydrogen 3.062 N/A ARG 179.A NH1 GLU 140.A OE2 no hydrogen 2.872 N/A ARG 179.A NH2 GLU 262.A OE2 no hydrogen 2.839 N/A ASP 180.A N THR 122.A OG1 no hydrogen 2.824 N/A TYR 182.A N THR 209.A O no hydrogen 2.917 N/A TYR 182.A OH SER 339.A O no hydrogen 2.774 N/A VAL 183.A N SER 107.A OG no hydrogen 2.864 N/A PHE 184.A N PHE 207.A O no hydrogen 2.890 N/A ARG 188.A NE ASP 286.A OD2 no hydrogen 3.148 N/A LEU 189.A N SER 186.A OG no hydrogen 2.951 N/A GLU 190.A N SER 186.A O no hydrogen 2.941 N/A ALA 191.A N PRO 187.A O no hydrogen 2.934 N/A LEU 192.A N ARG 188.A O no hydrogen 3.108 N/A LEU 193.A N LEU 189.A O no hydrogen 3.007 N/A THR 196.A N LEU 193.A O no hydrogen 2.881 N/A THR 196.A OG1 LEU 193.A O no hydrogen 2.717 N/A ILE 199.A N THR 196.A O no hydrogen 2.856 N/A ASN 201.A N THR 197.A O no hydrogen 2.715 N/A ALA 202.A N THR 200.A OG1 no hydrogen 3.341 N/A THR 203.A N HIS 227.A O no hydrogen 2.927 N/A THR 203.A OG1 HIS 227.A O no hydrogen 3.356 N/A GLY 204.A N GLN 226.A O no hydrogen 2.856 N/A HIS 206.A N GLN 226.A OE1 no hydrogen 3.006 N/A HIS 206.A ND1 GLN 226.A OE1 no hydrogen 2.972 N/A PHE 207.A N PHE 184.A O no hydrogen 2.779 N/A ALA 208.A N TYR 224.A O no hydrogen 2.917 N/A THR 209.A N TYR 182.A O no hydrogen 3.020 N/A ILE 210.A N PHE 222.A O no hydrogen 2.871 N/A SER 211.A N ARG 179.A O no hydrogen 2.802 N/A GLY 212.A N ARG 220.A O no hydrogen 2.918 N/A VAL 214.A N GLY 218.A O no hydrogen 2.915 N/A HIS 215.A N ASN 174.A O no hydrogen 2.898 N/A ASP 217.A N VAL 214.A O no hydrogen 2.912 N/A ARG 220.A N GLY 212.A O no hydrogen 2.968 N/A ARG 220.A NH1 ASP 217.A O no hydrogen 2.888 N/A ARG 220.A NH1 ALA 219.A O no hydrogen 2.908 N/A ARG 220.A NH2 ASP 217.A O no hydrogen 3.244 N/A ARG 220.A NH2 ASP 217.A OD2 no hydrogen 2.874 N/A LEU 221.A N VAL 242.A O no hydrogen 2.923 N/A PHE 222.A N ILE 210.A O no hydrogen 2.880 N/A LEU 223.A N GLY 239.A O no hydrogen 2.927 N/A TYR 224.A N ALA 208.A O no hydrogen 2.746 N/A ARG 225.A N THR 236.A O no hydrogen 2.885 N/A ARG 225.A NE GLY 204.A O no hydrogen 2.764 N/A ARG 225.A NH2 GLY 204.A O no hydrogen 2.976 N/A GLN 226.A N HIS 206.A O no hydrogen 2.911 N/A GLN 226.A NE2 GLU 231.A O no hydrogen 2.932 N/A HIS 227.A N LYS 234.A O no hydrogen 3.010 N/A GLU 231.A N THR 228.A O no hydrogen 3.104 N/A TRP 235.A NE1 PHE 232.A O no hydrogen 2.756 N/A THR 236.A N ARG 225.A O no hydrogen 2.820 N/A TYR 237.A OH GLU 172.A OE2 no hydrogen 2.922 N/A LEU 238.A N LEU 223.A O no hydrogen 2.876 N/A GLY 239.A N LEU 223.A O no hydrogen 3.495 N/A LEU 241.A N LEU 221.A O no hydrogen 2.667 N/A VAL 242.A N LEU 221.A O no hydrogen 3.362 N/A THR 244.A N ALA 219.A O no hydrogen 3.315 N/A GLY 245.A N GLU 248.A OE1 no hydrogen 2.727 N/A LYS 247.A N GLY 258.A O no hydrogen 2.836 N/A GLU 248.A N GLY 245.A O no hydrogen 3.059 N/A SER 249.A OG GLY 255.A O no hydrogen 2.714 N/A GLY 251.A N SER 249.A OG no hydrogen 3.012 N/A SER 254.A N GLY 251.A O no hydrogen 3.060 N/A SER 254.A OG SER 326.A O no hydrogen 2.654 N/A ASN 256.A ND2 LYS 247.A O no hydrogen 3.069 N/A TYR 257.A N GLU 248.A O no hydrogen 2.750 N/A TYR 257.A OH SER 326.A OG no hydrogen 2.655 N/A GLY 258.A N ASN 256.A OD1 no hydrogen 2.809 N/A ILE 259.A N GLU 293.A O no hydrogen 2.850 N/A ASN 260.A ND2 GLU 293.A OE2 no hydrogen 2.778 N/A PHE 261.A N GLY 212.A O no hydrogen 2.875 N/A GLU 262.A N GLY 291.A O no hydrogen 2.925 N/A THR 263.A N ASP 180.A OD2 no hydrogen 2.779 N/A THR 263.A OG1 GLU 262.A O no hydrogen 3.105 N/A ALA 264.A N SER 211.A OG no hydrogen 3.122 N/A GLY 265.A N THR 289.A O no hydrogen 2.775 N/A THR 267.A N PHE 287.A O no hydrogen 2.930 N/A ARG 268.A NE ASP 277.A OD1 no hydrogen 2.891 N/A ARG 268.A NE ASP 277.A OD2 no hydrogen 3.418 N/A ARG 268.A NH1 ASP 286.A OD1 no hydrogen 2.796 N/A ARG 268.A NH2 ASP 277.A OD2 no hydrogen 2.852 N/A LEU 269.A N VAL 285.A O no hydrogen 2.912 N/A ASN 270.A N GLY 273.A O no hydrogen 2.857 N/A ASN 270.A ND2 ASP 281.A OD2 no hydrogen 3.188 N/A ALA 272.A N ASN 270.A OD1 no hydrogen 3.107 N/A GLY 273.A N ASN 270.A O no hydrogen 3.135 N/A GLY 273.A N ASN 270.A OD1 no hydrogen 3.211 N/A ALA 274.A N TYR 345.A O no hydrogen 2.817 N/A ALA 275.A N ARG 268.A O no hydrogen 2.848 N/A GLY 279.A N ASP 277.A OD2 no hydrogen 2.907 N/A SER 280.A N ASN 278.A OD1 no hydrogen 3.082 N/A SER 280.A OG ASN 278.A OD1 no hydrogen 3.380 N/A ASP 281.A N ASP 277.A OD2 no hydrogen 2.945 N/A THR 283.A N ASP 281.A OD1 no hydrogen 2.803 N/A THR 283.A OG1 ASP 281.A OD1 no hydrogen 2.524 N/A THR 283.A OG1 ASP 281.A OD2 no hydrogen 3.251 N/A ALA 284.A N ASP 281.A O no hydrogen 3.168 N/A VAL 285.A N LEU 269.A O no hydrogen 2.716 N/A PHE 287.A N THR 267.A O no hydrogen 2.941 N/A VAL 288.A N ALA 307.A O no hydrogen 2.916 N/A THR 289.A N GLY 265.A O no hydrogen 2.931 N/A PHE 290.A N LEU 305.A O no hydrogen 2.977 N/A GLY 291.A N GLU 262.A O no hydrogen 2.870 N/A THR 292.A N TRP 303.A O no hydrogen 2.867 N/A THR 292.A OG1 ASN 256.A O no hydrogen 2.742 N/A GLU 293.A N ASN 260.A O no hydrogen 3.045 N/A GLN 294.A N ASN 301.A O no hydrogen 2.931 N/A ARG 296.A NH1 HIS 302.A O no hydrogen 2.888 N/A ARG 296.A NH2 TRP 331.A O no hydrogen 3.102 N/A HIS 299.A ND1 ASP 298.A OD1 no hydrogen 2.769 N/A HIS 299.A NE2 GLU 517.A OE1 no hydrogen 2.690 N/A ASN 301.A N ASP 298.A O no hydrogen 3.032 N/A HIS 302.A N HIS 299.A O no hydrogen 2.961 N/A HIS 302.A NE2 GLU 293.A OE1 no hydrogen 3.183 N/A TRP 303.A N THR 292.A O no hydrogen 3.134 N/A LEU 305.A N PHE 290.A O no hydrogen 2.727 N/A TRP 306.A N GLY 327.A O no hydrogen 3.035 N/A ALA 307.A N VAL 288.A O no hydrogen 2.843 N/A ALA 308.A N TYR 325.A O no hydrogen 2.883 N/A VAL 309.A N ASP 286.A O no hydrogen 2.914 N/A ASP 310.A N VAL 322.A O no hydrogen 2.837 N/A GLU 312.A N GLU 320.A O no hydrogen 2.826 N/A ARG 314.A N SER 318.A O no hydrogen 2.849 N/A ARG 314.A NH1 PRO 240.A O no hydrogen 2.973 N/A ARG 314.A NH1 SER 318.A OG no hydrogen 2.870 N/A ARG 314.A NH2 PRO 240.A O no hydrogen 2.815 N/A GLY 317.A N ARG 314.A O no hydrogen 3.124 N/A SER 318.A OG ASN 316.A OD1 no hydrogen 2.726 N/A GLU 320.A N GLU 312.A O no hydrogen 2.821 N/A ALA 321.A N LEU 241.A O no hydrogen 2.779 N/A VAL 322.A N ASP 310.A O no hydrogen 2.984 N/A ALA 324.A N ALA 308.A O no hydrogen 2.802 N/A SER 326.A N ALA 397.A O no hydrogen 3.290 N/A SER 326.A OG TYR 257.A OH no hydrogen 2.655 N/A SER 326.A OG TRP 306.A O no hydrogen 3.386 N/A GLY 327.A N TRP 306.A O no hydrogen 2.799 N/A GLN 329.A N PRO 304.A O no hydrogen 2.838 N/A GLN 329.A NE2 SER 349.A OG no hydrogen 2.853 N/A TRP 331.A N ALA 554.A O no hydrogen 2.933 N/A GLY 332.A N ASP 330.A OD1 no hydrogen 2.902 N/A ARG 333.A N SER 556.A O no hydrogen 2.702 N/A ARG 333.A NE GLU 355.A O no hydrogen 3.016 N/A ARG 333.A NH2 GLU 355.A O no hydrogen 3.095 N/A ARG 333.A NH2 ASP 358.A OD2 no hydrogen 3.054 N/A SER 334.A N GLY 332.A O no hydrogen 2.859 N/A SER 334.A OG TYR 337.A OH no hydrogen 2.698 N/A TYR 335.A N TRP 352.A O no hydrogen 2.973 N/A TYR 335.A OH GLU 262.A OE1 no hydrogen 2.592 N/A TYR 337.A OH SER 334.A OG no hydrogen 2.698 N/A ALA 338.A N VAL 350.A O no hydrogen 2.884 N/A SER 339.A OG TYR 182.A OH no hydrogen 3.422 N/A PHE 340.A N VAL 348.A O no hydrogen 2.912 N/A VAL 342.A N ARG 346.A O no hydrogen 2.934 N/A GLU 343.A N GLN 45.A OE1 no hydrogen 2.775 N/A ARG 346.A N VAL 342.A O no hydrogen 3.062 N/A ARG 346.A NE ASP 377.A OD1 no hydrogen 2.928 N/A ARG 346.A NH1 GLU 422.A OE2 no hydrogen 2.799 N/A ARG 346.A NH2 ASP 377.A OD2 no hydrogen 2.956 N/A ARG 346.A NH2 GLU 422.A OE1 no hydrogen 3.056 N/A GLN 347.A NE2 SER 339.A OG no hydrogen 2.956 N/A VAL 348.A N PHE 340.A O no hydrogen 2.935 N/A SER 349.A N ARG 376.A O no hydrogen 2.735 N/A SER 349.A OG ALA 338.A O no hydrogen 3.561 N/A VAL 350.A N ALA 338.A O no hydrogen 2.940 N/A GLY 351.A N THR 373.A OG1 no hydrogen 2.931 N/A TRP 352.A N TYR 335.A O no hydrogen 2.917 N/A ILE 353.A N ALA 371.A O no hydrogen 2.759 N/A TYR 354.A N ARG 333.A O no hydrogen 3.191 N/A ASP 356.A N TYR 560.A OH no hydrogen 2.931 N/A VAL 360.A N ASP 357.A O no hydrogen 2.858 N/A ILE 361.A N ASP 357.A OD1 no hydrogen 3.035 N/A LEU 362.A N ASP 357.A OD2 no hydrogen 2.839 N/A GLN 365.A N GLN 365.A OE1 no hydrogen 2.803 N/A GLN 365.A NE2 CYS 15.A O no hydrogen 3.147 N/A PHE 366.A N LEU 362.A O no hydrogen 2.861 N/A GLY 367.A N ALA 363.A O no hydrogen 2.913 N/A GLN 369.A N GLY 35.A O no hydrogen 2.905 N/A GLN 369.A NE2 TYR 368.A O no hydrogen 2.919 N/A GLY 370.A N GLU 355.A OE2 no hydrogen 2.814 N/A ALA 371.A N ILE 353.A O no hydrogen 3.098 N/A PHE 372.A N PHE 30.A O no hydrogen 2.931 N/A THR 373.A N GLY 351.A O no hydrogen 2.877 N/A THR 373.A OG1 LEU 374.A O no hydrogen 2.794 N/A LEU 374.A N GLU 546.A OE1 no hydrogen 3.276 N/A LEU 374.A N GLU 546.A OE2 no hydrogen 3.175 N/A ARG 376.A N SER 349.A O no hydrogen 2.775 N/A ARG 376.A NE TYR 548.A OH no hydrogen 2.816 N/A ARG 376.A NH1 GLN 329.A O no hydrogen 3.340 N/A ARG 376.A NH2 ASP 330.A OD2 no hydrogen 2.921 N/A ARG 376.A NH2 GLU 546.A OE2 no hydrogen 3.112 N/A ASP 377.A N ARG 418.A O no hydrogen 2.721 N/A LEU 378.A N GLN 347.A O no hydrogen 2.862 N/A PHE 379.A N GLY 416.A O no hydrogen 3.218 N/A VAL 380.A N ASN 270.A O no hydrogen 2.974 N/A LYS 381.A N THR 414.A O no hydrogen 2.806 N/A LYS 381.A NZ ASN 550.A O no hydrogen 2.755 N/A LYS 381.A NZ GLU 552.A OE1 no hydrogen 2.746 N/A VAL 383.A N VAL 412.A O no hydrogen 2.868 N/A VAL 386.A N VAL 410.A O no hydrogen 2.879 N/A SER 387.A N GLU 525.A O no hydrogen 2.707 N/A SER 387.A OG SER 389.A OG no hydrogen 2.851 N/A SER 389.A N SER 387.A OG no hydrogen 3.155 N/A SER 389.A OG SER 387.A OG no hydrogen 2.851 N/A THR 390.A N SER 387.A O no hydrogen 2.989 N/A THR 390.A OG1 SER 387.A O no hydrogen 2.840 N/A LEU 393.A N THR 390.A O no hydrogen 3.285 N/A GLU 395.A N GLY 392.A O no hydrogen 3.397 N/A GLN 396.A N LEU 393.A O no hydrogen 3.435 N/A TRP 399.A NE1 LEU 393.A O no hydrogen 2.793 N/A SER 400.A N THR 413.A O no hydrogen 2.813 N/A SER 400.A OG GLN 396.A OE1 no hydrogen 3.478 N/A THR 401.A N GLN 396.A OE1 no hydrogen 2.955 N/A LYS 402.A N THR 411.A O no hydrogen 2.964 N/A SER 404.A N SER 409.A O no hydrogen 2.862 N/A SER 404.A OG ASP 406.A OD1 no hydrogen 2.706 N/A SER 404.A OG SER 409.A O no hydrogen 3.091 N/A SER 404.A OG SER 409.A OG no hydrogen 3.356 N/A GLY 407.A N SER 404.A O no hydrogen 3.032 N/A MET 408.A N ASP 406.A OD1 no hydrogen 2.899 N/A SER 409.A N SER 404.A OG no hydrogen 3.193 N/A SER 409.A OG SER 404.A OG no hydrogen 3.356 N/A VAL 410.A N VAL 386.A O no hydrogen 2.906 N/A THR 411.A N LYS 402.A O no hydrogen 2.869 N/A VAL 412.A N VAL 383.A O no hydrogen 2.887 N/A THR 413.A N SER 400.A O no hydrogen 2.963 N/A THR 414.A N LYS 381.A O no hydrogen 2.930 N/A THR 414.A OG1 SER 398.A O no hydrogen 2.572 N/A GLY 416.A N PHE 379.A O no hydrogen 2.719 N/A GLN 417.A N ASP 551.A O no hydrogen 3.021 N/A ARG 418.A N ASP 377.A O no hydrogen 3.109 N/A VAL 420.A N PHE 375.A O no hydrogen 2.966 N/A GLU 422.A N GLU 422.A OE1 no hydrogen 2.795 N/A THR 423.A N VAL 420.A O no hydrogen 3.060 N/A THR 423.A OG1 THR 78.A OG1 no hydrogen 2.810 N/A LEU 424.A N VAL 420.A O no hydrogen 3.339 N/A ALA 425.A N PRO 421.A O no hydrogen 2.894 N/A ALA 426.A N GLU 422.A O no hydrogen 3.036 N/A TYR 427.A N THR 423.A O no hydrogen 2.818 N/A TYR 427.A OH ALA 28.A O no hydrogen 2.596 N/A LYS 428.A N LEU 424.A O no hydrogen 2.997 N/A GLY 429.A N ALA 425.A O no hydrogen 2.902 N/A ASN 430.A N ALA 426.A O no hydrogen 3.010 N/A ASN 430.A ND2 ALA 426.A O no hydrogen 2.826 N/A SER 431.A N LYS 428.A O no hydrogen 3.175 N/A SER 431.A OG TYR 427.A O no hydrogen 2.653 N/A THR 432.A N ASP 591.A O no hydrogen 2.880 N/A SER 434.A N LEU 589.A O no hydrogen 2.854 N/A THR 435.A OG1 GLU 588.A OE2 no hydrogen 3.146 N/A LEU 436.A N LEU 587.A O no hydrogen 2.904 N/A VAL 439.A N VAL 584.A O no hydrogen 2.847 N/A LEU 441.A N VAL 582.A O no hydrogen 2.755 N/A GLU 443.A N GLU 443.A OE1 no hydrogen 2.791 N/A SER 444.A N ASN 442.A OD1 no hydrogen 2.890 N/A SER 444.A OG ASN 442.A OD1 no hydrogen 2.532 N/A ALA 445.A N ASN 442.A O no hydrogen 3.093 N/A THR 449.A N LEU 571.A O no hydrogen 2.864 N/A PHE 451.A N ALA 569.A O no hydrogen 3.007 N/A SER 453.A OG SER 434.A OG no hydrogen 3.322 N/A GLN 454.A NE2 PHE 451.A O no hydrogen 2.912 N/A GLN 454.A NE2 ALA 569.A O no hydrogen 2.940 N/A THR 456.A N ASP 591.A OD1 no hydrogen 2.891 N/A THR 456.A OG1 ASP 591.A OD1 no hydrogen 3.454 N/A THR 456.A OG1 ASP 591.A OD2 no hydrogen 2.639 N/A ARG 458.A N ASP 457.A OD1 no hydrogen 2.742 N/A ARG 458.A NH1 PRO 561.A O no hydrogen 2.734 N/A ARG 458.A NH2 PRO 561.A O no hydrogen 2.872 N/A TYR 460.A N VAL 540.A O no hydrogen 2.841 N/A TYR 460.A OH THR 567.A O no hydrogen 2.939 N/A ALA 461.A N TRP 590.A O no hydrogen 2.950 N/A LEU 462.A N VAL 538.A O no hydrogen 2.786 N/A THR 463.A N GLU 588.A O no hydrogen 2.991 N/A THR 463.A OG1 LEU 536.A O no hydrogen 3.523 N/A GLY 464.A N LEU 536.A O no hydrogen 2.989 N/A SER 465.A N SER 585.A O no hydrogen 2.796 N/A SER 465.A OG ASN 535.A OD1 no hydrogen 2.610 N/A PHE 466.A N LEU 534.A O no hydrogen 2.776 N/A GLU 467.A N GLY 583.A O no hydrogen 2.751 N/A PHE 468.A N LYS 532.A O no hydrogen 2.786 N/A THR 472.A N GLY 469.A O no hydrogen 3.139 N/A THR 472.A OG1 ASP 580.A OD1 no hydrogen 2.657 N/A THR 472.A OG1 ASP 580.A OD2 no hydrogen 3.258 N/A THR 473.A N ASP 580.A OD2 no hydrogen 2.914 N/A THR 473.A OG1 ASP 580.A OD2 no hydrogen 3.444 N/A ALA 474.A N THR 472.A OG1 no hydrogen 2.894 N/A LYS 475.A N ASP 574.A O no hydrogen 2.829 N/A LYS 475.A NZ ASP 574.A OD2 no hydrogen 2.850 N/A ALA 476.A N PHE 492.A O no hydrogen 3.174 N/A GLY 477.A N LEU 572.A O no hydrogen 3.133 N/A PHE 478.A N ILE 490.A O no hydrogen 2.900 N/A ARG 479.A N GLY 570.A O no hydrogen 2.900 N/A ARG 479.A NE ASP 489.A OD1 no hydrogen 2.644 N/A ARG 479.A NH2 ASP 489.A OD1 no hydrogen 3.423 N/A ARG 479.A NH2 ASP 489.A OD2 no hydrogen 3.047 N/A VAL 480.A N THR 488.A O no hydrogen 2.871 N/A LEU 481.A N TYR 460.A OH no hydrogen 2.938 N/A ALA 482.A N GLY 568.A O no hydrogen 2.959 N/A SER 483.A N GLU 486.A O no hydrogen 2.694 N/A SER 483.A OG GLU 486.A O no hydrogen 3.555 N/A SER 483.A OG SER 566.A OG no hydrogen 2.724 N/A GLU 486.A N SER 483.A OG no hydrogen 3.333 N/A TYR 487.A N ALA 505.A O no hydrogen 3.008 N/A THR 488.A N VAL 480.A O no hydrogen 3.010 N/A THR 488.A OG1 SER 506.A OG no hydrogen 2.738 N/A ASP 489.A N VAL 502.A O no hydrogen 3.190 N/A ILE 490.A N PHE 478.A O no hydrogen 2.746 N/A TRP 491.A N THR 500.A O no hydrogen 2.902 N/A PHE 492.A N ALA 476.A O no hydrogen 2.826 N/A ASP 493.A N ASN 498.A O no hydrogen 3.060 N/A SER 496.A N ASP 493.A O no hydrogen 3.118 N/A SER 496.A OG ASP 493.A O no hydrogen 3.270 N/A SER 496.A OG ASP 493.A OD2 no hydrogen 2.630 N/A GLU 497.A N ASP 493.A O no hydrogen 2.928 N/A GLU 497.A N PRO 494.A O no hydrogen 3.267 N/A ASN 498.A N ASP 493.A O no hydrogen 3.433 N/A LEU 499.A N ALA 519.A O no hydrogen 2.749 N/A THR 500.A N TRP 491.A O no hydrogen 2.852 N/A VAL 501.A N GLU 517.A O no hydrogen 3.002 N/A VAL 502.A N ASP 489.A O no hydrogen 2.821 N/A ARG 503.A NE ASP 515.A O no hydrogen 2.942 N/A ARG 503.A NH1 ASP 356.A OD2 no hydrogen 2.686 N/A ARG 503.A NH1 ARG 558.A O no hydrogen 2.852 N/A ARG 503.A NH2 ASP 356.A OD2 no hydrogen 2.841 N/A ARG 503.A NH2 ASP 515.A O no hydrogen 3.002 N/A SER 506.A N ARG 503.A O no hydrogen 3.083 N/A SER 506.A OG THR 488.A OG1 no hydrogen 2.738 N/A SER 507.A OG TYR 560.A O no hydrogen 2.641 N/A LEU 508.A N GLU 486.A OE2 no hydrogen 2.887 N/A ILE 509.A N SER 507.A OG no hydrogen 2.942 N/A LYS 510.A NZ SER 507.A O no hydrogen 2.919 N/A GLY 513.A N ASP 356.A O no hydrogen 3.019 N/A GLU 517.A N VAL 501.A O no hydrogen 2.961 N/A ALA 519.A N LEU 499.A O no hydrogen 2.778 N/A LYS 520.A NZ GLU 252.A OE2 no hydrogen 2.882 N/A LYS 520.A NZ SER 496.A O no hydrogen 2.917 N/A LYS 520.A NZ ASN 498.A OD1 no hydrogen 2.753 N/A VAL 521.A N GLU 497.A O no hydrogen 2.979 N/A LYS 522.A NZ PRO 391.A O no hydrogen 2.841 N/A LYS 522.A NZ GLU 497.A OE1 no hydrogen 3.027 N/A LYS 522.A NZ GLU 497.A OE2 no hydrogen 2.734 N/A TYR 524.A OH GLU 552.A OE2 no hydrogen 2.845 N/A GLU 525.A N THR 390.A OG1 no hydrogen 3.102 N/A VAL 527.A N ASN 385.A O no hydrogen 2.828 N/A ALA 529.A N ILE 526.A O no hydrogen 2.982 N/A SER 531.A OG GLU 467.A OE2 no hydrogen 2.696 N/A LYS 532.A N PHE 468.A O no hydrogen 2.812 N/A LEU 534.A N PHE 466.A O no hydrogen 2.895 N/A ASN 535.A N ASN 550.A OD1 no hydrogen 2.738 N/A LEU 536.A N GLY 464.A O no hydrogen 2.866 N/A THR 537.A N TYR 548.A O no hydrogen 2.876 N/A VAL 538.A N LEU 462.A O no hydrogen 2.861 N/A PHE 539.A N GLU 546.A O no hydrogen 2.878 N/A VAL 540.A N TYR 460.A O no hydrogen 2.755 N/A ASP 541.A N VAL 544.A O no hydrogen 2.902 N/A GLY 542.A N ARG 458.A O no hydrogen 2.879 N/A SER 543.A OG PHE 24.A O no hydrogen 3.202 N/A VAL 544.A N ASP 541.A O no hydrogen 3.042 N/A ILE 545.A N THR 557.A O no hydrogen 2.936 N/A GLU 546.A N PHE 539.A O no hydrogen 2.856 N/A ILE 547.A N LEU 555.A O no hydrogen 2.865 N/A TYR 548.A N THR 537.A O no hydrogen 2.803 N/A TYR 548.A OH GLU 546.A OE2 no hydrogen 2.560 N/A ALA 549.A N VAL 553.A O no hydrogen 2.763 N/A ASN 550.A N ASN 535.A O no hydrogen 2.913 N/A GLU 552.A N ALA 549.A O no hydrogen 3.011 N/A VAL 553.A N ALA 549.A O no hydrogen 3.003 N/A LEU 555.A N ILE 547.A O no hydrogen 2.915 N/A SER 556.A N ASP 330.A OD1 no hydrogen 2.938 N/A SER 556.A OG ASP 330.A OD2 no hydrogen 2.790 N/A THR 557.A N ILE 545.A O no hydrogen 2.778 N/A THR 557.A OG1 GLU 517.A OE2 no hydrogen 2.679 N/A ARG 558.A N THR 557.A OG1 no hydrogen 2.713 N/A ARG 558.A NE TYR 354.A O no hydrogen 2.993 N/A ARG 558.A NH1 SER 543.A OG no hydrogen 2.767 N/A ARG 558.A NH2 ILE 353.A O no hydrogen 2.882 N/A ALA 559.A N SER 543.A O no hydrogen 2.870 N/A TYR 560.A OH GLU 355.A OE1 no hydrogen 2.641 N/A TRP 562.A N GLU 486.A OE2 no hydrogen 2.788 N/A TRP 562.A NE1 ASP 4.A O no hydrogen 3.057 N/A LEU 563.A N GLU 486.A OE1 no hydrogen 2.878 N/A ALA 564.A N GLN 5.A O no hydrogen 2.953 N/A SER 566.A N LEU 563.A O no hydrogen 3.086 N/A SER 566.A OG SER 483.A OG no hydrogen 2.724 N/A SER 566.A OG GLU 486.A OE1 no hydrogen 2.691 N/A GLY 568.A N ALA 482.A O no hydrogen 2.847 N/A ALA 569.A N GLN 454.A OE1 no hydrogen 3.132 N/A GLY 570.A N ARG 479.A O no hydrogen 3.036 N/A LEU 571.A N THR 449.A O no hydrogen 2.832 N/A LEU 572.A N GLY 477.A O no hydrogen 2.879 N/A ALA 573.A N ALA 447.A O no hydrogen 3.053 N/A ASP 574.A N LYS 475.A O no hydrogen 2.863 N/A THR 576.A OG1 ASN 442.A O no hydrogen 2.787 N/A THR 577.A N ASP 580.A O no hydrogen 2.850 N/A ASP 580.A N THR 577.A OG1 no hydrogen 2.806 N/A VAL 582.A N LEU 441.A O no hydrogen 2.943 N/A GLY 583.A N GLU 467.A O no hydrogen 3.050 N/A VAL 584.A N VAL 439.A O no hydrogen 2.850 N/A SER 585.A N SER 465.A O no hydrogen 2.968 N/A GLU 588.A N THR 463.A O no hydrogen 3.172 N/A LEU 589.A N SER 434.A O no hydrogen 2.953 N/A TRP 590.A N ALA 461.A O no hydrogen 2.864 N/A TRP 590.A NE1 GLU 588.A OE1 no hydrogen 2.761 N/A ASP 591.A N THR 432.A O no hydrogen 2.930 N/A GLY 592.A N PHE 459.A O no hydrogen 2.801 N/A LEU 593.A N SER 431.A OG no hydrogen 2.828 N/A ALA 596.A N LYS 27.A O no hydrogen 2.969 N/A TRP 597.A NE1 ARG 29.A O no hydrogen 2.904 N/A ARG 600.A N TRP 597.A O no hydrogen 2.994 N/A ARG 600.A NE ASP 82.A OD2 no hydrogen 2.898 N/A ARG 600.A NH1 ILE 31.A O no hydrogen 2.835 N/A ARG 600.A NH2 ILE 31.A O no hydrogen 2.836 N/A ARG 600.A NH2 ASP 82.A OD1 no hydrogen 2.811 N/A ARG 600.A NH2 ASP 82.A OD2 no hydrogen 3.520 N/A THR 604.A OG1 PRO 33.A O no hydrogen 2.543 N/A SER 605.A N ASN 603.A OD1 no hydrogen 2.961 N/A GLY 607.A N SER 605.A OG no hydrogen 3.003 N/A VAL 609.A N LYS 60.A O no hydrogen 2.958 N/A ASP 611.A N GLY 623.A O no hydrogen 2.789 N/A ALA 615.A N GLY 612.A O no hydrogen 3.161 N/A TYR 618.A N THR 614.A O no hydrogen 2.840 N/A GLY 619.A N ALA 615.A O no hydrogen 2.889 N/A