Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k4l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ TYR 2.A O no hydrogen 3.215 N/A LYS 1.A NZ ASP 269.A OD1 no hydrogen 3.098 N/A TYR 2.A N LYS 267.A O no hydrogen 3.076 N/A ASP 3.A N LYS 26.A O no hydrogen 2.925 N/A VAL 4.A N LYS 26.A O no hydrogen 3.201 N/A VAL 5.A N VAL 270.A O no hydrogen 2.964 N/A ILE 6.A N ALA 28.A O no hydrogen 2.811 N/A VAL 7.A N VAL 272.A O no hydrogen 2.911 N/A GLY 8.A N PHE 30.A O no hydrogen 2.825 N/A SER 9.A N ASP 31.A OD2 no hydrogen 2.982 N/A SER 9.A OG ASP 31.A OD2 no hydrogen 2.674 N/A CYS 14.A N GLY 10.A O no hydrogen 2.923 N/A CYS 14.A SG SER 9.A O no hydrogen 3.527 N/A CYS 14.A SG GLY 10.A O no hydrogen 3.356 N/A CYS 14.A SG ALA 211.A O no hydrogen 3.986 N/A THR 15.A N PRO 11.A O no hydrogen 3.066 N/A THR 15.A N ILE 12.A O no hydrogen 2.940 N/A THR 15.A OG1 PRO 11.A O no hydrogen 2.782 N/A TYR 16.A N ILE 12.A O no hydrogen 3.182 N/A TYR 16.A OH SER 554.A OG no hydrogen 2.779 N/A ALA 17.A N GLY 13.A O no hydrogen 2.949 N/A ARG 18.A N CYS 14.A O no hydrogen 2.813 N/A ARG 18.A NH1 VAL 214.A O no hydrogen 2.948 N/A GLU 19.A N THR 15.A O no hydrogen 2.996 N/A LEU 20.A N TYR 16.A O no hydrogen 2.871 N/A VAL 21.A N ALA 17.A O no hydrogen 2.716 N/A GLY 22.A N ARG 18.A O no hydrogen 3.352 N/A ALA 23.A N LEU 20.A O no hydrogen 3.076 N/A GLY 24.A N VAL 21.A O no hydrogen 3.087 N/A TYR 25.A N LEU 20.A O no hydrogen 3.138 N/A TYR 25.A OH PHE 562.A O no hydrogen 2.556 N/A LYS 26.A N ASP 3.A OD2 no hydrogen 2.936 N/A LYS 26.A NZ LYS 1.A O no hydrogen 2.871 N/A VAL 27.A N ARG 229.A O no hydrogen 3.157 N/A ALA 28.A N VAL 4.A O no hydrogen 3.019 N/A MET 29.A N ASN 231.A O no hydrogen 2.881 N/A PHE 30.A N ILE 6.A O no hydrogen 2.860 N/A ASP 31.A N PHE 233.A O no hydrogen 3.101 N/A GLY 33.A N ASP 31.A OD1 no hydrogen 2.699 N/A SER 37.A OG ALA 43.A O no hydrogen 2.824 N/A ALA 43.A N LYS 40.A O no hydrogen 3.232 N/A HIS 44.A NE2 TRP 123.A O no hydrogen 2.778 N/A LYS 45.A N THR 121.A O no hydrogen 2.863 N/A LYS 45.A NZ ASP 36.A OD2 no hydrogen 2.947 N/A LYS 45.A NZ GLN 65.A OE1 no hydrogen 2.538 N/A LYS 46.A N HIS 44.A ND1 no hydrogen 2.955 N/A ASN 47.A N HIS 44.A O no hydrogen 3.175 N/A ASN 47.A ND2 TRP 208.A O no hydrogen 2.896 N/A TYR 51.A N THR 48.A OG1 no hydrogen 3.037 N/A GLN 52.A N THR 48.A O no hydrogen 3.153 N/A GLN 52.A NE2 LYS 46.A O no hydrogen 3.002 N/A GLN 52.A NE2 VAL 206.A O no hydrogen 2.775 N/A LYS 53.A N VAL 49.A O no hydrogen 3.010 N/A ASN 54.A N TYR 51.A O no hydrogen 3.044 N/A ASN 54.A ND2 GLU 50.A O no hydrogen 2.948 N/A LYS 57.A N ASN 54.A O no hydrogen 2.994 N/A PHE 58.A N ILE 55.A O no hydrogen 3.022 N/A ASN 60.A N LYS 57.A O no hydrogen 3.275 N/A ASN 60.A ND2 GLN 63.A OE1 no hydrogen 3.492 N/A ILE 62.A N PHE 58.A O no hydrogen 3.159 N/A GLN 63.A N VAL 59.A O no hydrogen 2.967 N/A GLY 64.A N ASN 60.A O no hydrogen 2.873 N/A GLN 65.A N ILE 62.A O no hydrogen 2.996 N/A GLN 65.A NE2 THR 121.A OG1 no hydrogen 2.819 N/A GLN 65.A NE2 HIS 122.A ND1 no hydrogen 2.930 N/A LEU 66.A N GLN 63.A O no hydrogen 3.484 N/A MET 67.A N VAL 112.A O no hydrogen 2.794 N/A VAL 69.A N GLN 110.A O no hydrogen 3.003 N/A SER 70.A OG GLN 101.A OE1 no hydrogen 2.766 N/A LEU 76.A N ASN 74.A OD1 no hydrogen 3.041 N/A SER 82.A OG THR 84.A OG1 no hydrogen 3.157 N/A THR 84.A N SER 82.A OG no hydrogen 3.279 N/A THR 84.A OG1 SER 82.A OG no hydrogen 3.157 N/A SER 85.A N SER 82.A O no hydrogen 3.107 N/A GLN 87.A NE2 TRP 86.A O no hydrogen 2.528 N/A PHE 92.A N THR 90.A O no hydrogen 3.019 N/A ARG 94.A N SER 97.A OG no hydrogen 3.335 N/A ARG 94.A NH1 ASN 74.A O no hydrogen 2.940 N/A ARG 94.A NH1 PHE 92.A O no hydrogen 2.778 N/A ARG 94.A NH2 ASN 74.A O no hydrogen 3.183 N/A SER 97.A N ARG 94.A O no hydrogen 3.087 N/A SER 97.A OG ARG 94.A O no hydrogen 2.950 N/A ASN 98.A N VAL 71.A O no hydrogen 2.759 N/A ASN 98.A ND2 SER 70.A OG no hydrogen 3.024 N/A ASN 98.A ND2 THR 450.A OG1 no hydrogen 2.993 N/A GLU 100.A N ASN 98.A OD1 no hydrogen 2.965 N/A GLN 101.A N ASN 98.A O no hydrogen 3.105 N/A GLN 101.A NE2 ASP 102.A O no hydrogen 2.876 N/A GLN 101.A NE2 ARG 105.A O no hydrogen 3.605 N/A GLN 101.A NE2 PHE 451.A O no hydrogen 2.964 N/A LEU 104.A N ASP 102.A OD1 no hydrogen 2.858 N/A ARG 105.A N ASP 102.A O no hydrogen 3.217 N/A ARG 105.A NE ASP 452.A OD1 no hydrogen 2.685 N/A ASN 106.A ND2 SER 70.A O no hydrogen 2.892 N/A GLY 109.A N PRO 492.A O no hydrogen 2.728 N/A GLN 110.A N LEU 107.A O no hydrogen 2.984 N/A GLN 110.A NE2 GLU 313.A OE2 no hydrogen 2.923 N/A GLN 110.A NE2 GLY 493.A O no hydrogen 3.661 N/A VAL 112.A N MET 67.A O no hydrogen 2.814 N/A THR 113.A OG1 GLN 65.A O no hydrogen 2.732 N/A ARG 114.A NH2 HIS 279.A NE2 no hydrogen 3.501 N/A VAL 116.A N GLU 34.A O no hydrogen 2.940 N/A GLY 117.A N SER 9.A OG no hydrogen 2.937 N/A GLY 118.A N VAL 115.A O no hydrogen 2.859 N/A SER 120.A N GLY 117.A O no hydrogen 3.125 N/A SER 120.A OG GLY 117.A O no hydrogen 2.568 N/A THR 121.A N GLY 118.A O no hydrogen 3.239 N/A THR 121.A OG1 GLY 118.A O no hydrogen 2.811 N/A HIS 122.A N MET 119.A O no hydrogen 3.058 N/A TRP 123.A NE1 SER 209.A O no hydrogen 2.880 N/A THR 124.A OG1 ASP 407.A OD1 no hydrogen 3.476 N/A THR 124.A OG1 ASP 407.A OD2 no hydrogen 3.400 N/A CYS 125.A SG TRP 123.A O no hydrogen 3.671 N/A CYS 125.A SG SER 209.A O no hydrogen 3.530 N/A THR 127.A N PRO 195.A O no hydrogen 2.899 N/A THR 127.A OG1 THR 163.A OG1 no hydrogen 2.889 N/A ARG 129.A NE GLU 158.A OE2 no hydrogen 2.838 N/A ARG 129.A NH1 ASP 151.A OD1 no hydrogen 2.826 N/A ARG 129.A NH2 THR 155.A OG1 no hydrogen 3.150 N/A ARG 129.A NH2 GLU 158.A OE1 no hydrogen 2.930 N/A PHE 130.A N TYR 154.A OH no hydrogen 2.930 N/A ARG 132.A NE ASP 147.A OD1 no hydrogen 3.047 N/A ARG 132.A NH2 ASP 147.A OD2 no hydrogen 2.757 N/A GLN 134.A N ASP 131.A O no hydrogen 3.042 N/A GLN 134.A NE2 ASP 131.A OD1 no hydrogen 2.786 N/A ARG 135.A N ARG 132.A O no hydrogen 3.100 N/A ARG 135.A NH2 ASP 146.A OD2 no hydrogen 3.078 N/A ARG 135.A NH2 ASP 147.A OD1 no hydrogen 2.996 N/A LEU 138.A N ASP 146.A OD1 no hydrogen 2.672 N/A VAL 139.A N ASP 146.A OD1 no hydrogen 3.180 N/A ALA 145.A N ASP 142.A OD1 no hydrogen 3.047 N/A ASP 146.A N ASP 142.A O no hydrogen 2.895 N/A ASP 147.A N ALA 143.A O no hydrogen 2.846 N/A ALA 148.A N ASP 144.A O no hydrogen 3.057 N/A GLU 149.A N ALA 145.A O no hydrogen 3.039 N/A TRP 150.A N ASP 146.A O no hydrogen 3.020 N/A TRP 150.A NE1 PRO 136.A O no hydrogen 2.998 N/A ASP 151.A N ASP 147.A O no hydrogen 2.825 N/A ARG 152.A N ALA 148.A O no hydrogen 3.075 N/A ARG 152.A NH1 GLU 556.A OE2 no hydrogen 2.841 N/A ARG 152.A NH2 GLU 149.A OE2 no hydrogen 2.716 N/A ARG 152.A NH2 GLU 556.A OE1 no hydrogen 2.891 N/A ARG 152.A NH2 GLU 556.A OE2 no hydrogen 3.552 N/A LEU 153.A N GLU 149.A O no hydrogen 3.027 N/A TYR 154.A N TRP 150.A O no hydrogen 2.840 N/A TYR 154.A OH THR 546.A OG1 no hydrogen 2.660 N/A THR 155.A N ASP 151.A O no hydrogen 2.971 N/A THR 155.A OG1 ASP 151.A O no hydrogen 2.729 N/A THR 155.A OG1 ASP 151.A OD1 no hydrogen 3.471 N/A LYS 156.A N ARG 152.A O no hydrogen 3.132 N/A LYS 156.A NZ GLU 19.A OE2 no hydrogen 2.869 N/A LYS 156.A NZ TYR 160.A OH no hydrogen 3.430 N/A ALA 157.A N LEU 153.A O no hydrogen 2.927 N/A GLU 158.A N TYR 154.A O no hydrogen 2.801 N/A SER 159.A N THR 155.A O no hydrogen 3.088 N/A TYR 160.A N LYS 156.A O no hydrogen 2.965 N/A TYR 160.A OH GLU 19.A OE2 no hydrogen 2.342 N/A PHE 161.A N ALA 157.A O no hydrogen 2.953 N/A GLN 162.A N SER 159.A O no hydrogen 3.203 N/A GLN 162.A NE2 SER 159.A O no hydrogen 2.694 N/A THR 163.A N GLU 158.A O no hydrogen 2.910 N/A THR 163.A OG1 THR 127.A OG1 no hydrogen 2.889 N/A GLY 164.A N LEU 196.A O no hydrogen 2.916 N/A GLN 167.A N GLN 167.A OE1 no hydrogen 2.770 N/A GLN 167.A NE2 GLY 164.A O no hydrogen 3.440 N/A GLN 167.A NE2 LEU 196.A O no hydrogen 2.961 N/A GLN 167.A NE2 ALA 198.A O no hydrogen 2.822 N/A PHE 168.A N GLN 193.A OE1 no hydrogen 3.001 N/A LYS 169.A N ASP 166.A O no hydrogen 3.245 N/A SER 171.A N PHE 168.A O no hydrogen 3.145 N/A SER 171.A OG ASP 385.A OD2 no hydrogen 3.402 N/A SER 171.A OG PRO 386.A O no hydrogen 2.667 N/A ILE 172.A N ASP 385.A OD1 no hydrogen 2.883 N/A ARG 173.A N ASP 385.A OD2 no hydrogen 2.850 N/A ARG 173.A NE ASP 385.A OD2 no hydrogen 3.297 N/A ARG 173.A NH2 ASP 385.A O no hydrogen 2.872 N/A HIS 174.A N SER 171.A OG no hydrogen 2.840 N/A ASN 175.A N SER 171.A O no hydrogen 3.079 N/A ASN 175.A ND2 LYS 169.A O no hydrogen 2.973 N/A ASN 175.A ND2 SER 171.A O no hydrogen 2.728 N/A LEU 176.A N ILE 172.A O no hydrogen 2.765 N/A VAL 177.A N ARG 173.A O no hydrogen 3.060 N/A LEU 178.A N HIS 174.A O no hydrogen 2.946 N/A ASN 179.A N ASN 175.A O no hydrogen 2.983 N/A LYS 180.A N LEU 176.A O no hydrogen 3.171 N/A LYS 180.A NZ GLU 184.A OE2 no hydrogen 3.085 N/A LEU 181.A N VAL 177.A O no hydrogen 3.121 N/A THR 182.A N LEU 178.A O no hydrogen 2.965 N/A THR 182.A OG1 LEU 178.A O no hydrogen 3.250 N/A THR 182.A OG1 ASN 179.A O no hydrogen 3.044 N/A GLU 183.A N ASN 179.A O no hydrogen 3.112 N/A GLU 184.A N LYS 180.A O no hydrogen 2.961 N/A TYR 185.A N LEU 181.A O no hydrogen 3.102 N/A LYS 186.A N GLU 183.A O no hydrogen 3.315 N/A GLN 188.A N TYR 185.A O no hydrogen 2.880 N/A GLN 188.A NE2 TYR 185.A O no hydrogen 2.631 N/A ARG 189.A NH1 ASP 470.A OD1 no hydrogen 3.535 N/A ARG 189.A NH1 ASP 470.A OD2 no hydrogen 2.891 N/A ARG 189.A NH2 ASP 470.A OD1 no hydrogen 2.883 N/A GLN 192.A N THR 391.A O no hydrogen 2.875 N/A GLN 192.A NE2 GLN 193.A O no hydrogen 2.872 N/A GLN 193.A NE2 GLN 167.A OE1 no hydrogen 2.902 N/A GLN 193.A NE2 ILE 194.A O no hydrogen 2.927 N/A ILE 194.A N GLN 389.A O no hydrogen 2.868 N/A LEU 196.A N GLY 164.A O no hydrogen 2.909 N/A ALA 197.A N CYS 125.A O no hydrogen 2.797 N/A ALA 198.A N GLN 162.A O no hydrogen 3.248 N/A THR 199.A N GLU 207.A O no hydrogen 2.933 N/A ARG 200.A NE GLN 167.A O no hydrogen 2.827 N/A ARG 200.A NH1 SER 202.A O no hydrogen 2.821 N/A ARG 200.A NH2 GLN 167.A O no hydrogen 3.126 N/A ARG 201.A N PHE 205.A O no hydrogen 2.844 N/A ARG 201.A NE GLU 207.A OE2 no hydrogen 2.998 N/A ARG 201.A NH2 GLU 207.A OE2 no hydrogen 2.729 N/A SER 202.A N PHE 205.A O no hydrogen 3.144 N/A THR 204.A N SER 202.A OG no hydrogen 3.263 N/A PHE 205.A N SER 202.A O no hydrogen 3.180 N/A VAL 206.A N GLN 52.A OE1 no hydrogen 2.899 N/A GLU 207.A N THR 199.A O no hydrogen 2.817 N/A TRP 208.A N ASN 47.A OD1 no hydrogen 2.859 N/A SER 209.A N ALA 197.A O no hydrogen 2.902 N/A SER 209.A OG PHE 161.A O no hydrogen 2.670 N/A SER 210.A N THR 213.A OG1 no hydrogen 3.038 N/A SER 210.A OG GLY 42.A O no hydrogen 3.267 N/A ALA 211.A N SER 120.A OG no hydrogen 2.910 N/A ASN 212.A N GLY 42.A O no hydrogen 3.344 N/A ASN 212.A N SER 210.A OG no hydrogen 3.088 N/A ASN 212.A ND2 ILE 41.A O no hydrogen 2.884 N/A ASN 212.A ND2 ASP 216.A O no hydrogen 3.529 N/A THR 213.A N SER 210.A O no hydrogen 2.966 N/A VAL 214.A N SER 210.A O no hydrogen 3.457 N/A PHE 215.A N ALA 211.A O no hydrogen 2.848 N/A GLN 218.A N ASP 216.A OD1 no hydrogen 2.969 N/A ARG 220.A N PHE 230.A O no hydrogen 2.826 N/A ARG 220.A NE GLU 228.A OE1 no hydrogen 2.972 N/A ARG 220.A NH1 ASP 216.A OD1 no hydrogen 2.790 N/A ARG 220.A NH1 GLN 218.A O no hydrogen 2.816 N/A ARG 220.A NH2 ASP 216.A OD1 no hydrogen 3.427 N/A ARG 220.A NH2 ASP 216.A OD2 no hydrogen 3.549 N/A ASN 222.A N ALA 225.A O no hydrogen 3.161 N/A ASN 222.A ND2 ASN 219.A O no hydrogen 3.175 N/A ASP 224.A N ASN 222.A OD1 no hydrogen 2.979 N/A ALA 225.A N ASN 222.A O no hydrogen 2.775 N/A GLU 228.A N ALA 225.A O no hydrogen 3.293 N/A ARG 229.A NH1 SER 565.A OG no hydrogen 3.072 N/A ARG 229.A NH2 GLY 24.A O no hydrogen 2.925 N/A ARG 229.A NH2 SER 565.A O no hydrogen 2.921 N/A ARG 229.A NH2 SER 565.A OG no hydrogen 3.354 N/A PHE 230.A N ARG 220.A O no hydrogen 3.032 N/A ASN 231.A N VAL 27.A O no hydrogen 3.077 N/A LEU 232.A N ASN 219.A OD1 no hydrogen 2.981 N/A PHE 233.A N MET 29.A O no hydrogen 2.758 N/A ALA 235.A N GLY 33.A O no hydrogen 2.874 N/A VAL 236.A N ASP 31.A O no hydrogen 2.850 N/A ALA 237.A N HIS 256.A O no hydrogen 2.858 N/A GLU 239.A N HIS 254.A O no hydrogen 2.802 N/A ARG 240.A N HIS 254.A O no hydrogen 3.493 N/A VAL 241.A N SER 287.A OG no hydrogen 2.823 N/A VAL 242.A N SER 252.A O no hydrogen 2.953 N/A ARG 243.A NE SER 287.A O no hydrogen 2.783 N/A ARG 243.A NH1 ASN 247.A OD1 no hydrogen 2.718 N/A ARG 243.A NH2 SER 287.A O no hydrogen 3.407 N/A ASN 244.A N GLU 249.A O no hydrogen 2.876 N/A ASN 244.A ND2 SER 248.A OG no hydrogen 3.117 N/A ASN 247.A N ASN 244.A O no hydrogen 3.193 N/A SER 248.A N ASN 244.A OD1 no hydrogen 2.831 N/A GLU 249.A N ASN 244.A OD1 no hydrogen 3.213 N/A ILE 250.A N ASN 526.A OD1 no hydrogen 3.014 N/A GLU 251.A N VAL 242.A O no hydrogen 2.847 N/A SER 252.A OG GLU 265.A OE2 no hydrogen 3.376 N/A LEU 253.A N ILE 266.A O no hydrogen 2.847 N/A HIS 254.A N ARG 240.A O no hydrogen 2.859 N/A ILE 255.A N PHE 264.A O no hydrogen 2.871 N/A HIS 256.A N ALA 237.A O no hydrogen 2.853 N/A ASP 257.A N ASP 262.A O no hydrogen 2.816 N/A LEU 258.A N ALA 235.A O no hydrogen 2.895 N/A SER 260.A N ASP 257.A OD1 no hydrogen 2.941 N/A SER 260.A OG ASP 257.A OD1 no hydrogen 2.826 N/A GLY 261.A N ASP 257.A O no hydrogen 2.711 N/A ASP 262.A N SER 260.A OG no hydrogen 3.167 N/A ARG 263.A NE GLU 239.A OE1 no hydrogen 2.824 N/A ARG 263.A NH2 GLU 239.A OE2 no hydrogen 3.033 N/A PHE 264.A N ILE 255.A O no hydrogen 2.953 N/A ILE 266.A N LEU 253.A O no hydrogen 2.685 N/A LYS 267.A NZ GLU 251.A O no hydrogen 2.992 N/A ALA 268.A N TYR 271.A OH no hydrogen 2.922 N/A ASP 269.A N TYR 2.A O no hydrogen 3.286 N/A VAL 270.A N ASP 3.A O no hydrogen 2.909 N/A TYR 271.A N ASN 526.A O no hydrogen 2.884 N/A TYR 271.A OH ALA 268.A O no hydrogen 3.013 N/A VAL 272.A N VAL 5.A O no hydrogen 2.932 N/A LEU 273.A N PHE 528.A O no hydrogen 2.878 N/A THR 274.A N VAL 7.A O no hydrogen 2.819 N/A THR 274.A OG1 VAL 7.A O no hydrogen 2.956 N/A THR 274.A OG1 GLY 8.A O no hydrogen 3.424 N/A ALA 275.A N ASN 280.A OD1 no hydrogen 2.686 N/A ASN 280.A N GLY 276.A O no hydrogen 2.843 N/A ASN 280.A ND2 LEU 273.A O no hydrogen 2.872 N/A ASN 280.A ND2 HIS 502.A NE2 no hydrogen 3.185 N/A ASN 280.A ND2 GLY 530.A O no hydrogen 3.075 N/A THR 281.A OG1 ALA 277.A O no hydrogen 2.719 N/A GLN 282.A N VAL 278.A O no hydrogen 3.037 N/A GLN 282.A NE2 ASP 442.A OD2 no hydrogen 2.967 N/A GLN 282.A NE2 PRO 447.A O no hydrogen 2.833 N/A LEU 283.A N HIS 279.A O no hydrogen 3.073 N/A LEU 284.A N ASN 280.A O no hydrogen 3.063 N/A VAL 285.A N THR 281.A O no hydrogen 2.905 N/A ASN 286.A N GLN 282.A O no hydrogen 2.856 N/A ASN 286.A ND2 GLU 239.A O no hydrogen 2.871 N/A SER 287.A N LEU 284.A O no hydrogen 3.002 N/A SER 287.A OG VAL 241.A O no hydrogen 3.479 N/A SER 287.A OG LEU 283.A O no hydrogen 2.723 N/A GLY 288.A N VAL 285.A O no hydrogen 3.212 N/A PHE 289.A N LEU 284.A O no hydrogen 3.062 N/A GLY 290.A N LEU 303.A O no hydrogen 2.813 N/A GLN 291.A NE2 ASN 296.A O no hydrogen 3.202 N/A GLY 293.A N PHE 436.A O no hydrogen 2.664 N/A ARG 294.A NH2 GLU 100.A O no hydrogen 2.971 N/A ARG 294.A NH2 GLU 100.A OE1 no hydrogen 3.110 N/A ASN 296.A N GLN 291.A OE1 no hydrogen 3.073 N/A ALA 298.A N ASN 296.A OD1 no hydrogen 3.344 N/A ASN 299.A N ASN 296.A O no hydrogen 2.998 N/A LEU 307.A N LEU 304.A O no hydrogen 3.115 N/A GLY 308.A N THR 501.A O no hydrogen 2.914 N/A SER 309.A N SER 306.A O no hydrogen 3.116 N/A ILE 311.A N ASN 432.A O no hydrogen 3.134 N/A THR 312.A N GLY 499.A O no hydrogen 2.931 N/A GLN 314.A N GLU 313.A OE1 no hydrogen 2.939 N/A GLN 314.A NE2 TYR 539.A O no hydrogen 3.121 N/A GLN 314.A NE2 ALA 541.A O no hydrogen 3.062 N/A VAL 317.A N PHE 422.A O no hydrogen 3.076 N/A PHE 318.A N GLN 488.A O no hydrogen 2.918 N/A CYS 319.A N TRP 420.A O no hydrogen 3.134 N/A GLN 320.A N SER 485.A O no hydrogen 3.043 N/A GLN 320.A NE2 ASP 419.A OD1 no hydrogen 2.678 N/A THR 321.A N VAL 418.A O no hydrogen 2.860 N/A VAL 322.A N GLY 480.A O no hydrogen 2.860 N/A MET 323.A N LEU 416.A O no hydrogen 2.888 N/A SER 324.A N ILE 478.A O no hydrogen 2.917 N/A SER 324.A OG ILE 478.A O no hydrogen 3.512 N/A LEU 327.A N SER 324.A OG no hydrogen 3.096 N/A ILE 328.A N SER 324.A O no hydrogen 3.014 N/A ASP 329.A N THR 325.A O no hydrogen 2.854 N/A SER 330.A N GLU 326.A O no hydrogen 2.963 N/A SER 330.A OG LEU 327.A O no hydrogen 2.622 N/A VAL 331.A N LEU 327.A O no hydrogen 3.324 N/A VAL 331.A N ILE 328.A O no hydrogen 3.115 N/A LYS 332.A N ASP 329.A O no hydrogen 3.178 N/A SER 333.A N SER 330.A O no hydrogen 3.146 N/A SER 333.A OG SER 330.A O no hydrogen 3.223 N/A SER 333.A OG HIS 359.A NE2 no hydrogen 3.320 N/A MET 335.A N LYS 332.A O no hydrogen 2.992 N/A THR 336.A N THR 349.A O no hydrogen 2.653 N/A ARG 338.A N SER 347.A O no hydrogen 2.973 N/A GLY 342.A N GLN 375.A OE1 no hydrogen 2.762 N/A GLU 343.A N THR 340.A O no hydrogen 3.066 N/A TYR 346.A N GLU 343.A O no hydrogen 3.211 N/A SER 347.A N ARG 338.A O no hydrogen 2.959 N/A THR 349.A N THR 336.A O no hydrogen 2.998 N/A TYR 350.A OH GLU 365.A OE1 no hydrogen 2.752 N/A GLY 353.A N ASP 361.A OD1 no hydrogen 2.753 N/A ALA 354.A N THR 351.A O no hydrogen 3.479 N/A ASN 357.A N ALA 354.A O no hydrogen 3.078 N/A ASN 357.A ND2 THR 351.A O no hydrogen 2.896 N/A LYS 358.A N ASP 334.A OD1 no hydrogen 2.772 N/A HIS 359.A N ASP 334.A OD2 no hydrogen 2.945 N/A HIS 359.A NE2 SER 330.A O no hydrogen 2.994 N/A TRP 363.A NE1 VAL 331.A O no hydrogen 2.953 N/A ASN 364.A N PRO 360.A O no hydrogen 3.083 N/A ASN 364.A ND2 ASP 334.A OD2 no hydrogen 2.754 N/A GLU 365.A N ASP 361.A O no hydrogen 2.811 N/A LYS 366.A N TRP 362.A O no hydrogen 3.158 N/A VAL 367.A N TRP 363.A O no hydrogen 2.950 N/A LYS 368.A N ASN 364.A O no hydrogen 2.877 N/A ASN 369.A N GLU 365.A O no hydrogen 2.915 N/A ASN 369.A ND2 GLU 365.A OE2 no hydrogen 2.920 N/A HIS 370.A N LYS 366.A O no hydrogen 2.923 N/A HIS 370.A NE2 ASP 377.A OD2 no hydrogen 2.888 N/A MET 371.A N VAL 367.A O no hydrogen 2.917 N/A MET 372.A N LYS 368.A O no hydrogen 2.923 N/A GLN 373.A N ASN 369.A O no hydrogen 2.843 N/A HIS 374.A N HIS 370.A O no hydrogen 2.934 N/A GLN 375.A NE2 MET 372.A O no hydrogen 3.081 N/A GLU 376.A N GLU 376.A OE1 no hydrogen 2.861 N/A ASP 377.A N HIS 374.A O no hydrogen 3.027 N/A LEU 379.A N ASP 377.A OD2 no hydrogen 3.261 N/A ASP 385.A N PRO 382.A O no hydrogen 3.292 N/A GLU 387.A N GLU 387.A OE1 no hydrogen 2.657 N/A GLN 389.A N HIS 174.A ND1 no hydrogen 3.025 N/A GLN 389.A NE2 GLU 387.A OE2 no hydrogen 3.273 N/A VAL 390.A N ILE 404.A O no hydrogen 2.829 N/A THR 391.A N GLN 192.A O no hydrogen 2.859 N/A THR 391.A OG1 THR 402.A O no hydrogen 2.692 N/A THR 392.A N THR 402.A OG1 no hydrogen 2.891 N/A THR 392.A OG1 ASP 190.A O no hydrogen 2.659 N/A GLN 395.A N HIS 398.A O no hydrogen 3.177 N/A HIS 398.A N GLN 395.A O no hydrogen 2.742 N/A TRP 400.A N HIS 398.A O no hydrogen 2.722 N/A TRP 400.A NE1 ASP 470.A OD2 no hydrogen 2.914 N/A HIS 401.A N PHE 423.A O no hydrogen 2.939 N/A HIS 401.A NE2 GLN 403.A OE1 no hydrogen 2.942 N/A THR 402.A OG1 THR 392.A O no hydrogen 2.727 N/A GLN 403.A N ARG 421.A O no hydrogen 2.814 N/A ILE 404.A N VAL 390.A O no hydrogen 2.774 N/A HIS 405.A N ASP 419.A O no hydrogen 2.935 N/A ARG 406.A NH1 SER 414.A O no hydrogen 2.704 N/A ARG 406.A NH1 ILE 417.A O no hydrogen 3.090 N/A ASP 407.A N ASP 419.A OD2 no hydrogen 3.001 N/A ARG 415.A N ASP 413.A OD1 no hydrogen 2.946 N/A ARG 415.A NE ASP 413.A OD1 no hydrogen 2.794 N/A ARG 415.A NH1 ASP 377.A OD2 no hydrogen 2.895 N/A ARG 415.A NH1 ILE 381.A O no hydrogen 2.812 N/A ARG 415.A NH2 ASP 377.A OD1 no hydrogen 2.863 N/A ARG 415.A NH2 ASP 377.A OD2 no hydrogen 3.350 N/A ARG 415.A NH2 ASP 413.A OD1 no hydrogen 3.535 N/A ARG 415.A NH2 ASP 413.A OD2 no hydrogen 2.901 N/A LEU 416.A N ASP 413.A O no hydrogen 2.960 N/A ILE 417.A N SER 414.A O no hydrogen 3.094 N/A VAL 418.A N THR 321.A O no hydrogen 3.108 N/A ASP 419.A N HIS 405.A O no hydrogen 2.790 N/A TRP 420.A N CYS 319.A O no hydrogen 2.833 N/A TRP 420.A NE1 THR 321.A OG1 no hydrogen 2.881 N/A ARG 421.A N GLN 403.A O no hydrogen 2.873 N/A ARG 421.A NH1 HIS 405.A NE2 no hydrogen 3.009 N/A ARG 421.A NH1 ASP 419.A OD2 no hydrogen 3.023 N/A PHE 422.A N VAL 317.A O no hydrogen 3.024 N/A PHE 423.A N HIS 401.A O no hydrogen 2.813 N/A GLY 424.A N SER 315.A O no hydrogen 2.788 N/A ARG 425.A NE GLU 463.A OE1 no hydrogen 2.959 N/A ARG 425.A NH1 GLU 133.A OE2 no hydrogen 3.075 N/A ARG 425.A NH2 GLU 463.A OE2 no hydrogen 2.837 N/A THR 426.A OG1 GLU 313.A O no hydrogen 2.648 N/A GLU 427.A N THR 460.A OG1 no hydrogen 2.987 N/A GLU 431.A N GLU 431.A OE1 no hydrogen 2.895 N/A ASN 432.A N LYS 429.A O no hydrogen 3.035 N/A ASN 432.A ND2 ARG 454.A O no hydrogen 3.111 N/A LYS 433.A N ASP 452.A O no hydrogen 2.860 N/A LYS 433.A NZ SER 309.A OG no hydrogen 2.976 N/A LYS 433.A NZ GLU 430.A O no hydrogen 3.067 N/A LEU 434.A N GLY 308.A O no hydrogen 2.822 N/A TRP 435.A N THR 450.A O no hydrogen 2.839 N/A SER 437.A N GLN 448.A O no hydrogen 2.940 N/A SER 437.A OG GLU 100.A OE2 no hydrogen 2.622 N/A LYS 439.A N SER 437.A OG no hydrogen 3.073 N/A ILE 440.A N SER 437.A OG no hydrogen 2.854 N/A ASP 442.A N MET 446.A O no hydrogen 2.795 N/A TYR 444.A N ASP 442.A OD1 no hydrogen 2.908 N/A ASN 445.A N ASP 442.A O no hydrogen 3.065 N/A MET 446.A N ASP 442.A OD1 no hydrogen 3.005 N/A GLN 448.A N ILE 440.A O no hydrogen 3.069 N/A GLN 448.A NE2 VAL 69.A O no hydrogen 2.909 N/A GLN 448.A NE2 PRO 449.A O no hydrogen 2.820 N/A THR 450.A N TRP 435.A O no hydrogen 2.718 N/A THR 450.A OG1 GLN 448.A O no hydrogen 3.449 N/A PHE 451.A N GLN 101.A OE1 no hydrogen 2.980 N/A ASP 452.A N LYS 433.A O no hydrogen 2.815 N/A PHE 453.A N ARG 105.A O no hydrogen 2.980 N/A ARG 454.A N ASN 432.A OD1 no hydrogen 3.131 N/A ARG 454.A NE LEU 104.A O no hydrogen 2.941 N/A ARG 454.A NH2 LEU 104.A O no hydrogen 3.055 N/A THR 460.A N GLU 427.A OE1 no hydrogen 2.928 N/A THR 460.A OG1 GLU 427.A OE1 no hydrogen 2.805 N/A SER 461.A OG PRO 456.A O no hydrogen 2.763 N/A LYS 462.A N GLY 458.A O no hydrogen 2.973 N/A LYS 462.A NZ ASP 466.A OD2 no hydrogen 3.305 N/A GLU 463.A N ARG 459.A O no hydrogen 2.865 N/A ALA 464.A N THR 460.A O no hydrogen 3.003 N/A GLU 465.A N SER 461.A O no hydrogen 3.184 N/A ASP 466.A N LYS 462.A O no hydrogen 2.973 N/A MET 467.A N GLU 463.A O no hydrogen 2.858 N/A MET 468.A N ALA 464.A O no hydrogen 3.003 N/A THR 469.A N GLU 465.A O no hydrogen 3.119 N/A THR 469.A OG1 GLU 465.A O no hydrogen 3.275 N/A ASP 470.A N ASP 466.A O no hydrogen 2.866 N/A MET 471.A N MET 467.A O no hydrogen 2.954 N/A CYS 472.A N MET 468.A O no hydrogen 3.035 N/A CYS 472.A SG MET 468.A O no hydrogen 3.520 N/A VAL 473.A N THR 469.A O no hydrogen 2.889 N/A MET 474.A N ASP 470.A O no hydrogen 2.820 N/A SER 475.A N MET 471.A O no hydrogen 2.936 N/A SER 475.A OG MET 471.A O no hydrogen 2.831 N/A SER 475.A OG CYS 472.A O no hydrogen 3.408 N/A ALA 476.A N CYS 472.A O no hydrogen 3.419 N/A LYS 477.A N MET 474.A O no hydrogen 2.944 N/A ILE 478.A N SER 475.A O no hydrogen 2.848 N/A GLY 479.A N SER 475.A O no hydrogen 3.088 N/A LEU 482.A N GLN 320.A O no hydrogen 2.742 N/A SER 485.A N LEU 482.A O no hydrogen 2.843 N/A SER 485.A OG GLN 320.A OE1 no hydrogen 2.701 N/A GLN 488.A N PHE 318.A O no hydrogen 3.080 N/A GLN 488.A NE2 LEU 486.A O no hydrogen 2.745 N/A MET 490.A N LEU 316.A O no hydrogen 2.908 N/A GLU 491.A N GLU 491.A OE1 no hydrogen 2.587 N/A LEU 494.A N GLU 491.A O no hydrogen 2.984 N/A LEU 496.A N GLY 493.A O no hydrogen 2.983 N/A HIS 497.A N GLU 313.A OE1 no hydrogen 3.029 N/A HIS 497.A N GLU 313.A OE2 no hydrogen 3.073 N/A HIS 497.A ND1 GLN 314.A OE1 no hydrogen 2.626 N/A GLY 499.A N THR 312.A O no hydrogen 2.785 N/A THR 501.A OG1 ALA 277.A O no hydrogen 2.780 N/A THR 501.A OG1 THR 281.A OG1 no hydrogen 3.327 N/A HIS 502.A N GLY 533.A O no hydrogen 2.961 N/A HIS 502.A ND1 HIS 502.A O no hydrogen 2.869 N/A HIS 502.A ND1 ASN 534.A OD1 no hydrogen 2.818 N/A ARG 503.A NH1 ASN 512.A O no hydrogen 2.933 N/A ARG 503.A NH2 PRO 536.A O no hydrogen 2.864 N/A MET 504.A N ASN 534.A O no hydrogen 2.865 N/A GLY 505.A N VAL 515.A O no hydrogen 2.931 N/A ASP 507.A N ASP 511.A OD2 no hydrogen 2.909 N/A GLU 510.A N ASP 507.A OD2 no hydrogen 2.819 N/A ASP 511.A N ASP 507.A O no hydrogen 2.939 N/A ASN 512.A N LYS 509.A O no hydrogen 3.375 N/A CYS 513.A N GLU 508.A O no hydrogen 3.051 N/A CYS 513.A SG ASP 507.A O no hydrogen 3.266 N/A CYS 514.A N ARG 503.A O no hydrogen 2.616 N/A VAL 515.A N ARG 503.A O no hydrogen 3.051 N/A ASN 516.A N ARG 520.A O no hydrogen 2.886 N/A ASP 518.A N ASN 516.A OD1 no hydrogen 2.867 N/A SER 519.A N ASN 516.A O no hydrogen 2.713 N/A ARG 520.A N ASN 516.A OD1 no hydrogen 3.140 N/A ARG 520.A NH1 PHE 524.A O no hydrogen 2.878 N/A VAL 521.A N LEU 527.A O no hydrogen 2.995 N/A PHE 522.A N CYS 514.A O no hydrogen 3.270 N/A PHE 524.A N VAL 521.A O no hydrogen 2.955 N/A LYS 525.A N SER 248.A O no hydrogen 2.846 N/A LYS 525.A NZ GLU 249.A OE2 no hydrogen 3.538 N/A ASN 526.A ND2 ILE 250.A O no hydrogen 3.077 N/A ASN 526.A ND2 ASP 269.A O no hydrogen 2.946 N/A PHE 528.A N TYR 271.A O no hydrogen 2.849 N/A LEU 529.A N SER 519.A O no hydrogen 3.034 N/A GLY 530.A N LEU 273.A O no hydrogen 2.869 N/A ASN 534.A N GLY 531.A O no hydrogen 2.935 N/A ASN 534.A ND2 LEU 529.A O no hydrogen 2.801 N/A ILE 535.A N CYS 532.A O no hydrogen 2.939 N/A THR 537.A OG1 GLN 134.A O no hydrogen 2.656 N/A TYR 539.A OH HIS 497.A O no hydrogen 2.691 N/A GLY 540.A N GLN 134.A OE1 no hydrogen 2.770 N/A ALA 541.A N GLN 134.A OE1 no hydrogen 2.917 N/A ASN 542.A ND2 GLN 403.A OE1 no hydrogen 2.935 N/A THR 546.A OG1 TYR 154.A OH no hydrogen 2.660 N/A ALA 547.A N PRO 543.A O no hydrogen 3.036 N/A MET 548.A N THR 544.A O no hydrogen 2.900 N/A SER 549.A N LEU 545.A O no hydrogen 2.963 N/A SER 549.A OG LEU 545.A O no hydrogen 2.891 N/A LEU 550.A N THR 546.A O no hydrogen 3.015 N/A ALA 551.A N ALA 547.A O no hydrogen 2.982 N/A ILE 552.A N MET 548.A O no hydrogen 2.969 N/A LYS 553.A N SER 549.A O no hydrogen 3.229 N/A SER 554.A N LEU 550.A O no hydrogen 2.944 N/A SER 554.A OG TYR 16.A OH no hydrogen 2.779 N/A SER 554.A OG ASP 518.A O no hydrogen 2.881 N/A CYS 555.A N ALA 551.A O no hydrogen 2.913 N/A CYS 555.A SG ALA 551.A O no hydrogen 3.428 N/A GLU 556.A N ILE 552.A O no hydrogen 2.983 N/A TYR 557.A N LYS 553.A O no hydrogen 3.180 N/A ILE 558.A N SER 554.A O no hydrogen 3.073 N/A LYS 559.A N CYS 555.A O no hydrogen 2.840 N/A LYS 559.A NZ GLU 19.A OE1 no hydrogen 2.954 N/A GLN 560.A N GLU 556.A O no hydrogen 3.074 N/A GLN 560.A N TYR 557.A O no hydrogen 3.084 N/A ASN 561.A N ILE 558.A O no hydrogen 3.029 N/A ASN 561.A ND2 TYR 557.A O no hydrogen 2.941 N/A PHE 562.A N ILE 558.A O no hydrogen 2.953 N/A SER 565.A N ASP 3.A OD2 no hydrogen 2.897 N/A SER 565.A OG ASP 3.A OD1 no hydrogen 2.942 N/A SER 565.A OG ASP 3.A OD2 no hydrogen 2.938 N/A