Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2py5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 53.A OD1 no hydrogen 2.934 N/A ARG 2.A NH1 HIS 112.A O no hydrogen 3.568 N/A ARG 2.A NH2 ALA 52.A O no hydrogen 2.969 N/A ARG 2.A NH2 HIS 112.A O no hydrogen 2.890 N/A LYS 3.A NZ TYR 5.A OH no hydrogen 3.495 N/A LYS 3.A NZ GLU 33.A OE1 no hydrogen 3.088 N/A TYR 5.A N ASP 53.A O no hydrogen 2.890 N/A TYR 5.A OH GLU 33.A OE2 no hydrogen 2.610 N/A SER 6.A N MET 26.A O no hydrogen 2.792 N/A SER 6.A OG ILE 166.A O no hydrogen 2.773 N/A CYS 7.A N TYR 55.A O no hydrogen 2.782 N/A ALA 8.A N GLY 24.A O no hydrogen 2.976 N/A GLU 10.A N ALA 22.A O no hydrogen 2.873 N/A THR 12.A N ARG 19.A O no hydrogen 2.861 N/A THR 12.A OG1 ASP 17.A O no hydrogen 2.573 N/A THR 12.A OG1 ARG 19.A O no hydrogen 3.401 N/A THR 13.A OG1 HIS 145.A ND1 no hydrogen 2.761 N/A LYS 14.A NZ GLU 147.A OE1 no hydrogen 2.749 N/A ASP 17.A N LYS 14.A O no hydrogen 2.909 N/A CYS 18.A SG VAL 554.A O no hydrogen 3.666 N/A ARG 19.A N THR 12.A OG1 no hydrogen 2.934 N/A ARG 19.A NE ASP 17.A OD2 no hydrogen 2.862 N/A ARG 19.A NH1 ARG 148.A O no hydrogen 2.990 N/A ARG 19.A NH2 ASP 17.A OD1 no hydrogen 3.078 N/A ARG 19.A NH2 ARG 148.A O no hydrogen 2.920 N/A TRP 21.A N GLU 10.A O no hydrogen 2.849 N/A ALA 22.A N GLU 10.A O no hydrogen 3.238 N/A TYR 23.A N GLY 37.A O no hydrogen 2.860 N/A TYR 23.A OH GLU 42.A OE1 no hydrogen 2.627 N/A GLY 24.A N ALA 8.A O no hydrogen 2.915 N/A TYR 25.A N LYS 35.A O no hydrogen 2.945 N/A MET 26.A N SER 6.A O no hydrogen 2.848 N/A ASN 27.A N GLU 33.A O no hydrogen 2.918 N/A ILE 28.A N MET 4.A O no hydrogen 2.836 N/A ASP 30.A N ASN 27.A O no hydrogen 3.200 N/A SER 32.A N ASP 30.A OD1 no hydrogen 3.157 N/A SER 32.A OG ASP 30.A OD1 no hydrogen 2.653 N/A SER 32.A OG ASP 30.A OD2 no hydrogen 3.191 N/A GLU 33.A N ASP 30.A O no hydrogen 2.902 N/A TYR 34.A OH TYR 159.A OH no hydrogen 3.006 N/A LYS 35.A N TYR 25.A O no hydrogen 3.001 N/A GLY 37.A N TYR 23.A O no hydrogen 3.041 N/A ASN 38.A ND2 TYR 152.A O no hydrogen 3.054 N/A GLU 42.A N SER 39.A OG no hydrogen 3.061 N/A PHE 43.A N SER 39.A O no hydrogen 3.070 N/A MET 44.A N LEU 40.A O no hydrogen 2.781 N/A ALA 45.A N ASP 41.A O no hydrogen 3.017 N/A TRP 46.A N GLU 42.A O no hydrogen 3.280 N/A VAL 47.A N PHE 43.A O no hydrogen 2.874 N/A LEU 48.A N MET 44.A O no hydrogen 2.926 N/A LYS 49.A N TRP 46.A O no hydrogen 3.043 N/A VAL 50.A N TRP 46.A O no hydrogen 2.841 N/A ASP 53.A N LYS 3.A O no hydrogen 2.918 N/A LEU 54.A N VAL 114.A O no hydrogen 2.771 N/A TYR 55.A N TYR 5.A O no hydrogen 2.841 N/A PHE 56.A N TYR 116.A O no hydrogen 3.074 N/A HIS 57.A ND1 SER 118.A OG no hydrogen 2.793 N/A HIS 57.A NE2 PHE 124.A O no hydrogen 2.745 N/A LEU 59.A N ASP 117.A OD1 no hydrogen 2.994 N/A LYS 60.A NZ GLY 94.A O no hydrogen 2.842 N/A PHE 61.A N ASN 58.A O no hydrogen 2.857 N/A GLY 63.A N LEU 59.A O no hydrogen 2.670 N/A ALA 64.A N PHE 61.A O no hydrogen 3.081 N/A PHE 65.A N ALA 62.A O no hydrogen 2.932 N/A ILE 66.A N ALA 62.A O no hydrogen 3.193 N/A ILE 67.A N GLY 63.A O no hydrogen 2.918 N/A ASN 68.A N ALA 64.A O no hydrogen 2.991 N/A ASN 68.A ND2 GLY 399.A O no hydrogen 3.337 N/A TRP 69.A N PHE 65.A O no hydrogen 3.062 N/A TRP 69.A NE1 ASP 41.A OD1 no hydrogen 2.860 N/A LEU 70.A N ILE 66.A O no hydrogen 2.901 N/A GLU 71.A N ILE 67.A O no hydrogen 2.967 N/A ARG 72.A N TRP 69.A O no hydrogen 2.982 N/A ARG 72.A NH1 ASN 68.A O no hydrogen 3.114 N/A ARG 72.A NH2 GLY 399.A O no hydrogen 2.812 N/A ASN 73.A N LEU 70.A O no hydrogen 3.107 N/A ASN 73.A ND2 TRP 69.A O no hydrogen 2.904 N/A PHE 75.A N LEU 70.A O no hydrogen 3.068 N/A TRP 77.A NE1 THR 88.A OG1 no hydrogen 2.968 N/A SER 78.A N TYR 86.A O no hydrogen 2.858 N/A ASP 80.A N SER 78.A OG no hydrogen 3.030 N/A THR 85.A N CYS 102.A O no hydrogen 3.355 N/A THR 85.A OG1 LEU 82.A O no hydrogen 2.601 N/A TYR 86.A N LYS 76.A O no hydrogen 3.025 N/A TYR 86.A OH GLU 71.A OE2 no hydrogen 2.635 N/A ASN 87.A N ASP 100.A O no hydrogen 2.838 N/A THR 88.A N ASN 87.A OD1 no hydrogen 2.855 N/A ILE 89.A N MET 98.A O no hydrogen 2.960 N/A SER 91.A N GLN 95.A O no hydrogen 2.857 N/A GLY 94.A N SER 91.A O no hydrogen 2.908 N/A GLN 95.A N SER 91.A OG no hydrogen 3.011 N/A TYR 97.A N ILE 89.A O no hydrogen 2.837 N/A ILE 99.A N ILE 115.A O no hydrogen 2.873 N/A ASP 100.A N ASN 87.A O no hydrogen 2.855 N/A ILE 101.A N THR 113.A O no hydrogen 2.874 N/A CYS 102.A N THR 85.A O no hydrogen 2.786 N/A CYS 102.A SG GLY 81.A O no hydrogen 3.326 N/A CYS 102.A SG LEU 82.A O no hydrogen 3.303 N/A LEU 103.A N ILE 111.A O no hydrogen 2.873 N/A LYS 106.A N ARG 109.A O no hydrogen 2.989 N/A ARG 109.A N LYS 106.A O no hydrogen 2.949 N/A ILE 111.A N GLY 104.A O no hydrogen 2.809 N/A THR 113.A N ILE 101.A O no hydrogen 3.053 N/A THR 113.A OG1 VAL 47.A O no hydrogen 2.629 N/A VAL 114.A N ALA 52.A O no hydrogen 3.063 N/A ILE 115.A N ILE 99.A O no hydrogen 2.739 N/A TYR 116.A N LEU 54.A O no hydrogen 2.721 N/A SER 118.A N PHE 56.A O no hydrogen 2.895 N/A SER 118.A OG HIS 57.A ND1 no hydrogen 2.793 N/A LEU 119.A N ASP 117.A OD1 no hydrogen 3.051 N/A LYS 120.A N ASP 117.A O no hydrogen 3.068 N/A LYS 120.A NZ TRP 96.A O no hydrogen 3.118 N/A LYS 120.A NZ ASP 117.A OD2 no hydrogen 2.769 N/A LYS 121.A N SER 118.A O no hydrogen 3.081 N/A LYS 121.A NZ LEU 181.A O no hydrogen 2.881 N/A LYS 121.A NZ ARG 183.A O no hydrogen 2.592 N/A LYS 121.A NZ ASP 189.A OD2 no hydrogen 2.719 N/A LEU 122.A N SER 118.A O no hydrogen 2.806 N/A PHE 124.A N LEU 122.A O no hydrogen 2.781 N/A LYS 127.A NZ LEU 138.A O no hydrogen 2.811 N/A LYS 127.A NZ GLY 140.A O no hydrogen 3.164 N/A LYS 128.A NZ ASP 132.A OD2 no hydrogen 2.690 N/A ILE 129.A N PRO 125.A O no hydrogen 2.975 N/A ALA 130.A N VAL 126.A O no hydrogen 2.934 N/A LYS 131.A N LYS 127.A O no hydrogen 3.162 N/A ASP 132.A N LYS 128.A O no hydrogen 2.868 N/A PHE 133.A N ILE 129.A O no hydrogen 2.850 N/A LYS 134.A N LYS 131.A O no hydrogen 3.293 N/A LEU 135.A N ALA 130.A O no hydrogen 2.838 N/A LEU 138.A N ASN 164.A OD1 no hydrogen 2.879 N/A HIS 145.A ND1 THR 13.A OG1 no hydrogen 2.761 N/A LYS 146.A NZ.A TYR 152.A OH no hydrogen 3.250 N/A LYS 146.A NZ.B TYR 152.A OH no hydrogen 2.970 N/A LYS 146.A NZ.B GLU 158.A OE2 no hydrogen 2.852 N/A ARG 148.A NE GLU 158.A OE2 no hydrogen 3.372 N/A ARG 148.A NH1 ASP 143.A O no hydrogen 2.901 N/A ARG 148.A NH1 TYR 144.A O no hydrogen 3.373 N/A ARG 148.A NH2 ASP 143.A O no hydrogen 2.798 N/A ARG 148.A NH2 GLU 158.A OE2 no hydrogen 3.029 N/A TYR 152.A N PRO 149.A O no hydrogen 2.987 N/A TYR 152.A OH GLU 158.A OE1 no hydrogen 3.044 N/A TYR 152.A OH GLU 158.A OE2 no hydrogen 2.673 N/A THR 155.A N GLU 158.A OE1 no hydrogen 2.926 N/A THR 155.A OG1 GLU 157.A OE1 no hydrogen 3.483 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.823 N/A GLU 158.A N THR 155.A OG1 no hydrogen 3.070 N/A TYR 159.A N THR 155.A O no hydrogen 2.926 N/A TYR 159.A OH TYR 34.A OH no hydrogen 3.006 N/A ALA 160.A N PRO 156.A O no hydrogen 2.959 N/A TYR 161.A N GLU 157.A O no hydrogen 3.100 N/A TYR 161.A OH LYS 139.A O no hydrogen 2.635 N/A ILE 162.A N GLU 158.A O no hydrogen 3.012 N/A LYS 163.A N TYR 159.A O no hydrogen 2.932 N/A LYS 163.A NZ TYR 34.A OH no hydrogen 3.230 N/A ASN 164.A N ALA 160.A O no hydrogen 2.935 N/A ASN 164.A ND2 THR 136.A O no hydrogen 2.963 N/A ASP 165.A N TYR 161.A O no hydrogen 2.916 N/A ILE 166.A N ILE 162.A O no hydrogen 3.058 N/A GLN 167.A N LYS 163.A O no hydrogen 2.974 N/A ILE 168.A N ASN 164.A O no hydrogen 2.874 N/A ILE 169.A N ASP 165.A O no hydrogen 3.456 N/A ALA 170.A N ILE 166.A O no hydrogen 2.934 N/A GLU 171.A N GLN 167.A O no hydrogen 2.845 N/A ALA 172.A N ILE 168.A O no hydrogen 2.958 N/A LEU 173.A N ILE 169.A O no hydrogen 2.865 N/A LEU 174.A N ALA 170.A O no hydrogen 3.006 N/A ILE 175.A N GLU 171.A O no hydrogen 3.178 N/A GLN 176.A N ALA 172.A O no hydrogen 3.049 N/A GLN 176.A NE2 LYS 121.A O no hydrogen 3.006 N/A PHE 177.A N LEU 173.A O no hydrogen 2.838 N/A LYS 178.A N LEU 174.A O no hydrogen 2.845 N/A GLN 179.A N ILE 175.A O no hydrogen 3.205 N/A GLN 179.A N GLN 176.A O no hydrogen 3.099 N/A GLN 179.A NE2 ILE 175.A O no hydrogen 3.014 N/A GLY 180.A N PHE 177.A O no hydrogen 2.865 N/A LEU 181.A N GLN 176.A O no hydrogen 3.165 N/A ARG 183.A N ASP 189.A OD1 no hydrogen 2.943 N/A ARG 183.A NE SER 188.A OG no hydrogen 2.667 N/A ARG 183.A NH2 SER 188.A OG no hydrogen 3.305 N/A ALA 186.A N LYS 120.A O no hydrogen 2.939 N/A SER 188.A N THR 185.A OG1 no hydrogen 2.942 N/A ASP 189.A N THR 185.A O no hydrogen 2.994 N/A SER 190.A N ALA 186.A O no hydrogen 2.953 N/A SER 190.A OG.A ALA 186.A O no hydrogen 3.478 N/A SER 190.A OG.A MET 374.A O no hydrogen 2.766 N/A SER 190.A OG.B MET 374.A O no hydrogen 2.613 N/A LEU 191.A N GLY 187.A O no hydrogen 2.940 N/A LYS 192.A N SER 188.A O no hydrogen 3.025 N/A LYS 192.A NZ.A ASP 196.A OD2 no hydrogen 2.709 N/A LYS 192.A NZ.B ASP 196.A OD1 no hydrogen 2.969 N/A GLY 193.A N ASP 189.A O no hydrogen 2.943 N/A PHE 194.A N SER 190.A O no hydrogen 2.959 N/A LYS 195.A N LEU 191.A O no hydrogen 2.950 N/A ASP 196.A N LYS 192.A O no hydrogen 2.914 N/A ILE 197.A N GLY 193.A O no hydrogen 3.183 N/A ILE 197.A N PHE 194.A O no hydrogen 3.048 N/A ILE 198.A N PHE 194.A O no hydrogen 2.966 N/A THR 199.A OG1 ILE 198.A O no hydrogen 2.550 N/A LYS 202.A N THR 199.A OG1 no hydrogen 3.151 N/A PHE 203.A N THR 199.A O no hydrogen 2.941 N/A LYS 204.A N THR 200.A O no hydrogen 2.931 N/A LYS 205.A N LYS 201.A O no hydrogen 3.291 N/A VAL 206.A N LYS 202.A O no hydrogen 2.910 N/A PHE 207.A N PHE 203.A O no hydrogen 2.783 N/A LEU 214.A N SER 211.A OG no hydrogen 3.095 N/A ASP 215.A N SER 211.A O no hydrogen 2.860 N/A LYS 216.A N LEU 212.A O no hydrogen 2.981 N/A GLU 217.A N GLY 213.A O no hydrogen 3.258 N/A VAL 218.A N LEU 214.A O no hydrogen 3.006 N/A ARG 219.A N ASP 215.A O no hydrogen 2.903 N/A ARG 219.A NH1 ALA 383.A O no hydrogen 2.770 N/A ARG 219.A NH2 ASP 215.A OD1 no hydrogen 2.915 N/A ARG 219.A NH2 ALA 383.A O no hydrogen 3.276 N/A ARG 219.A NH2 SER 384.A O no hydrogen 3.163 N/A TYR 220.A N LYS 216.A O no hydrogen 3.255 N/A TYR 220.A N GLU 217.A O no hydrogen 3.212 N/A ALA 221.A N VAL 218.A O no hydrogen 2.933 N/A TYR 222.A N ARG 219.A O no hydrogen 2.931 N/A ARG 223.A NH1 TRP 316.A O no hydrogen 2.964 N/A THR 227.A OG1 ASP 445.A OD1 no hydrogen 2.746 N/A TRP 228.A N CYS 444.A O no hydrogen 2.898 N/A ASN 230.A N ILE 442.A O no hydrogen 2.898 N/A ASN 230.A ND2 ILE 441.A O no hydrogen 2.862 N/A ARG 232.A N ASN 230.A OD1 no hydrogen 3.078 N/A PHE 233.A N ASN 230.A O no hydrogen 2.918 N/A LYS 234.A N ASP 231.A O no hydrogen 3.200 N/A GLU 235.A N TYR 483.A O no hydrogen 2.709 N/A LYS 236.A N PHE 233.A O no hydrogen 3.137 N/A ILE 238.A N ALA 481.A O no hydrogen 2.861 N/A GLY 241.A N PHE 478.A O no hydrogen 3.091 N/A MET 242.A N LEU 451.A O no hydrogen 2.856 N/A VAL 243.A N SER 476.A O no hydrogen 2.944 N/A PHE 244.A N ILE 449.A O no hydrogen 2.921 N/A ASP 245.A N ALA 473.A O no hydrogen 2.879 N/A VAL 246.A N ASP 447.A O no hydrogen 2.842 N/A ASN 247.A N TYR 471.A O no hydrogen 2.811 N/A ASN 247.A ND2 ASP 465.A O no hydrogen 2.922 N/A ASN 247.A ND2 LYS 468.A O no hydrogen 2.937 N/A ALA 252.A N SER 248.A O no hydrogen 2.839 N/A GLN 253.A N LEU 249.A O no hydrogen 3.084 N/A GLN 253.A NE2 LEU 249.A O no hydrogen 3.003 N/A MET 254.A N TYR 250.A O no hydrogen 3.032 N/A TYR 255.A N PRO 251.A O no hydrogen 2.876 N/A TYR 255.A OH ASP 354.A OD1 no hydrogen 2.645 N/A SER 256.A N ALA 252.A O no hydrogen 3.315 N/A SER 256.A OG.A ALA 252.A O no hydrogen 3.385 N/A ARG 257.A N GLN 253.A O no hydrogen 2.951 N/A ARG 257.A NE GLN 253.A OE1 no hydrogen 2.887 N/A ARG 257.A NH2 THR 429.A OG1 no hydrogen 2.976 N/A LEU 259.A N THR 345.A O no hydrogen 3.016 N/A TYR 261.A N LYS 343.A O no hydrogen 2.971 N/A GLY 262.A N VAL 206.A O no hydrogen 2.745 N/A ILE 265.A N LYS 341.A O no hydrogen 2.992 N/A PHE 267.A N GLY 339.A O no hydrogen 2.999 N/A GLY 269.A N ILE 337.A O no hydrogen 2.859 N/A TYR 271.A N GLN 282.A OE1 no hydrogen 2.985 N/A TYR 271.A OH TYR 277.A O no hydrogen 2.688 N/A ASP 274.A N TYR 271.A OH no hydrogen 3.161 N/A ASP 276.A N ASP 274.A OD1 no hydrogen 2.946 N/A TYR 277.A N ASP 274.A O no hydrogen 3.032 N/A LEU 279.A N PHE 342.A O no hydrogen 3.459 N/A HIS 280.A N ASN 319.A OD1 no hydrogen 3.007 N/A ILE 281.A N LEU 340.A O no hydrogen 2.820 N/A GLN 282.A N LEU 317.A O no hydrogen 2.831 N/A GLN 282.A NE2 GLY 269.A O no hydrogen 2.967 N/A GLN 282.A NE2 HIS 283.A O no hydrogen 3.140 N/A HIS 283.A N SER 338.A O no hydrogen 2.744 N/A HIS 283.A NE2 ASP 314.A OD1 no hydrogen 2.637 N/A HIS 283.A NE2 ASP 314.A OD2 no hydrogen 3.255 N/A ILE 284.A N LEU 315.A O no hydrogen 2.837 N/A ARG 285.A N GLU 335.A O no hydrogen 2.935 N/A ARG 285.A NH1 ASP 314.A OD2 no hydrogen 2.683 N/A CYS 286.A N ALA 313.A O no hydrogen 3.005 N/A CYS 286.A SG GLU 287.A O no hydrogen 3.907 N/A GLU 287.A N TYR 332.A O no hydrogen 2.921 N/A PHE 288.A N SER 308.A OG no hydrogen 2.902 N/A GLU 289.A N ASP 330.A O no hydrogen 2.877 N/A LEU 290.A N LYS 306.A O no hydrogen 2.741 N/A LYS 291.A N HIS 328.A O no hydrogen 2.917 N/A LYS 291.A NZ LYS 326.A O no hydrogen 3.517 N/A LYS 291.A NZ GLU 327.A O no hydrogen 3.127 N/A TYR 294.A N LYS 291.A O no hydrogen 3.237 N/A TYR 294.A OH GLU 327.A OE2 no hydrogen 2.893 N/A ILE 295.A N GLN 435.A OE1 no hydrogen 2.914 N/A THR 297.A N TYR 329.A OH no hydrogen 3.026 N/A ILE 298.A N TYR 329.A OH no hydrogen 3.068 N/A GLN 299.A NE2 ASN 302.A O no hydrogen 2.470 N/A LEU 305.A N ILE 298.A O no hydrogen 2.889 N/A SER 307.A OG GLU 289.A OE1 no hydrogen 3.243 N/A SER 307.A OG GLU 289.A OE2 no hydrogen 2.738 N/A SER 308.A N PHE 288.A O no hydrogen 3.177 N/A SER 308.A OG PHE 288.A O no hydrogen 3.399 N/A GLY 309.A N SER 307.A OG no hydrogen 3.036 N/A GLU 311.A N SER 308.A O no hydrogen 3.163 N/A ALA 313.A N CYS 286.A O no hydrogen 2.842 N/A LEU 315.A N ILE 284.A O no hydrogen 2.895 N/A LEU 317.A N GLN 282.A O no hydrogen 2.909 N/A SER 318.A OG ASP 321.A OD2 no hydrogen 2.680 N/A ASN 319.A N HIS 280.A O no hydrogen 2.864 N/A ASP 321.A N SER 318.A OG no hydrogen 3.093 N/A LEU 322.A N SER 318.A O no hydrogen 2.847 N/A GLU 323.A N ASN 319.A O no hydrogen 2.916 N/A LEU 324.A N VAL 320.A O no hydrogen 3.183 N/A MET 325.A N ASP 321.A O no hydrogen 2.948 N/A LYS 326.A N LEU 322.A O no hydrogen 2.908 N/A LYS 326.A NZ TYR 336.A OH no hydrogen 3.156 N/A GLU 327.A N GLU 323.A O no hydrogen 3.072 N/A HIS 328.A N LEU 324.A O no hydrogen 2.922 N/A HIS 328.A ND1 ILE 295.A O no hydrogen 2.568 N/A TYR 329.A N MET 325.A O no hydrogen 2.917 N/A TYR 329.A OH LEU 305.A O no hydrogen 2.710 N/A ASP 330.A N GLU 289.A O no hydrogen 2.804 N/A TYR 332.A N GLU 287.A O no hydrogen 2.818 N/A ASN 333.A ND2 GLU 287.A OE1 no hydrogen 2.922 N/A GLU 335.A N ARG 285.A O no hydrogen 2.835 N/A ILE 337.A N HIS 283.A O no hydrogen 2.881 N/A GLY 339.A N PHE 267.A O no hydrogen 2.926 N/A LEU 340.A N ILE 281.A O no hydrogen 2.952 N/A LYS 341.A N ILE 265.A O no hydrogen 2.845 N/A LYS 341.A NZ ASP 274.A OD2 no hydrogen 2.825 N/A PHE 342.A N LEU 279.A O no hydrogen 2.839 N/A THR 345.A N LEU 259.A O no hydrogen 2.933 N/A THR 345.A OG1 THR 346.A O no hydrogen 3.041 N/A LYS 350.A N GLY 347.A O no hydrogen 3.293 N/A LYS 350.A NZ ASP 354.A OD2 no hydrogen 2.975 N/A ILE 353.A N PHE 349.A O no hydrogen 2.941 N/A ASP 354.A N LYS 350.A O no hydrogen 2.818 N/A LYS 355.A N ASP 351.A O no hydrogen 3.039 N/A TRP 356.A N PHE 352.A O no hydrogen 3.131 N/A THR 357.A N ILE 353.A O no hydrogen 2.856 N/A THR 357.A OG1 ILE 353.A O no hydrogen 2.685 N/A TYR 358.A N ASP 354.A O no hydrogen 3.009 N/A ILE 359.A N LYS 355.A O no hydrogen 3.189 N/A LYS 360.A N TRP 356.A O no hydrogen 2.892 N/A THR 361.A N THR 357.A O no hydrogen 2.876 N/A THR 361.A OG1 THR 357.A O no hydrogen 3.063 N/A THR 362.A N TYR 358.A O no hydrogen 2.966 N/A THR 362.A N ILE 359.A O no hydrogen 3.299 N/A THR 362.A OG1 TYR 358.A O no hydrogen 2.794 N/A SER 363.A OG ILE 359.A O no hydrogen 2.634 N/A LYS 368.A N GLU 364.A O no hydrogen 3.468 N/A GLN 369.A N GLY 365.A O no hydrogen 3.027 N/A GLN 369.A NE2 GLY 365.A O no hydrogen 3.225 N/A LEU 370.A N ALA 366.A O no hydrogen 3.010 N/A ALA 371.A N ILE 367.A O no hydrogen 2.974 N/A LYS 372.A N LYS 368.A O no hydrogen 3.080 N/A LYS 372.A NZ GLN 369.A OE1 no hydrogen 3.147 N/A LEU 373.A N GLN 369.A O no hydrogen 2.916 N/A MET 374.A N LEU 370.A O no hydrogen 2.895 N/A LEU 375.A N ALA 371.A O no hydrogen 3.049 N/A ASN 376.A N LYS 372.A O no hydrogen 2.842 N/A SER 377.A N LEU 373.A O no hydrogen 3.020 N/A SER 377.A OG LEU 373.A O no hydrogen 2.744 N/A LYS 381.A N LEU 378.A O no hydrogen 3.074 N/A PHE 382.A N TYR 379.A O no hydrogen 3.102 N/A SER 384.A N LYS 381.A O no hydrogen 3.264 N/A SER 384.A OG LYS 381.A O no hydrogen 2.741 N/A VAL 388.A N GLU 409.A O no hydrogen 2.918 N/A THR 389.A N ASP 387.A OD2 no hydrogen 3.124 N/A THR 389.A OG1 ASP 387.A OD2 no hydrogen 2.675 N/A THR 389.A OG1 GLU 409.A O no hydrogen 3.548 N/A LYS 391.A N ILE 90.A O no hydrogen 2.850 N/A LYS 391.A NZ ARG 92.A O no hydrogen 2.720 N/A VAL 392.A N ARG 404.A O no hydrogen 2.769 N/A TYR 394.A N GLY 402.A O no hydrogen 2.951 N/A LYS 396.A N ALA 400.A O no hydrogen 2.806 N/A GLY 399.A N LYS 396.A O no hydrogen 2.895 N/A ALA 400.A N ASN 398.A OD1 no hydrogen 2.903 N/A GLY 402.A N TYR 394.A O no hydrogen 2.825 N/A ARG 404.A N VAL 392.A O no hydrogen 2.989 N/A GLY 406.A N GLY 390.A O no hydrogen 2.790 N/A GLU 409.A N THR 389.A OG1 no hydrogen 3.059 N/A LYS 411.A N PRO 386.A O no hydrogen 2.835 N/A TYR 415.A N PHE 382.A O no hydrogen 2.937 N/A TYR 415.A OH GLY 262.A O no hydrogen 2.640 N/A THR 416.A OG1 ASP 215.A OD2 no hydrogen 2.626 N/A MET 418.A N TYR 415.A O no hydrogen 3.047 N/A VAL 420.A N THR 416.A O no hydrogen 3.037 N/A PHE 421.A N PRO 417.A O no hydrogen 3.079 N/A ILE 422.A N MET 418.A O no hydrogen 2.946 N/A THR 423.A N GLY 419.A O no hydrogen 3.147 N/A THR 423.A OG1 ARG 223.A O no hydrogen 2.753 N/A THR 423.A OG1 GLY 419.A O no hydrogen 3.303 N/A THR 423.A OG1 VAL 420.A O no hydrogen 3.290 N/A ALA 424.A N VAL 420.A O no hydrogen 3.079 N/A TRP 425.A N PHE 421.A O no hydrogen 2.939 N/A TRP 425.A NE1 LEU 258.A O no hydrogen 2.913 N/A ALA 426.A N ILE 422.A O no hydrogen 3.111 N/A ARG 427.A N THR 423.A O no hydrogen 2.865 N/A ARG 427.A NE ASP 321.A OD1 no hydrogen 3.165 N/A ARG 427.A NH1 GLY 224.A O no hydrogen 2.804 N/A ARG 427.A NH1 THR 423.A OG1 no hydrogen 3.222 N/A ARG 427.A NH2 ASP 321.A OD1 no hydrogen 3.178 N/A ARG 427.A NH2 ASP 321.A OD2 no hydrogen 2.868 N/A TYR 428.A N ALA 424.A O no hydrogen 2.893 N/A THR 429.A N TRP 425.A O no hydrogen 2.904 N/A THR 429.A OG1 GLN 253.A OE1 no hydrogen 3.135 N/A THR 429.A OG1 TRP 425.A O no hydrogen 2.887 N/A THR 430.A N ALA 426.A O no hydrogen 3.195 N/A THR 430.A OG1 THR 446.A O no hydrogen 2.838 N/A ILE 431.A N ARG 427.A O no hydrogen 2.799 N/A THR 432.A N TYR 428.A O no hydrogen 2.964 N/A THR 432.A OG1 TYR 428.A O no hydrogen 2.736 N/A THR 432.A OG1 THR 429.A O no hydrogen 3.288 N/A ALA 433.A N THR 429.A O no hydrogen 3.419 N/A ALA 434.A N THR 430.A O no hydrogen 2.945 N/A GLN 435.A N ILE 431.A O no hydrogen 2.828 N/A GLN 435.A NE2 GLY 293.A O no hydrogen 2.863 N/A ALA 436.A N THR 432.A O no hydrogen 2.962 N/A CYS 437.A N ALA 433.A O no hydrogen 3.159 N/A CYS 437.A N ALA 434.A O no hydrogen 3.038 N/A CYS 437.A SG ALA 433.A O no hydrogen 3.500 N/A TYR 438.A N GLN 435.A O no hydrogen 3.096 N/A ARG 440.A N CYS 437.A O no hydrogen 2.922 N/A ARG 440.A NE THR 452.A O no hydrogen 2.796 N/A ARG 440.A NH1 GLU 455.A O no hydrogen 2.966 N/A ARG 440.A NH2 THR 452.A O no hydrogen 2.852 N/A ARG 440.A NH2 GLU 455.A O no hydrogen 2.901 N/A ILE 442.A N HIS 450.A O no hydrogen 2.859 N/A TYR 443.A N HIS 450.A O no hydrogen 3.434 N/A CYS 444.A N TRP 228.A O no hydrogen 2.833 N/A ASP 445.A N SER 448.A O no hydrogen 2.992 N/A THR 446.A N PHE 226.A O no hydrogen 2.720 N/A THR 446.A OG1 ASP 445.A OD1 no hydrogen 2.966 N/A ASP 447.A N ASP 445.A O no hydrogen 2.727 N/A SER 448.A N ASP 445.A O no hydrogen 3.245 N/A SER 448.A OG.A ASP 245.A OD1.B no hydrogen 2.633 N/A SER 448.A OG.A ASP 245.A OD2.B no hydrogen 2.471 N/A SER 448.A OG.A ASP 447.A OD2 no hydrogen 2.914 N/A SER 448.A OG.B PHE 244.A O no hydrogen 3.386 N/A SER 448.A OG.B ASP 245.A OD1.B no hydrogen 2.843 N/A SER 448.A OG.B HIS 450.A NE2 no hydrogen 3.282 N/A ILE 449.A N PHE 244.A O no hydrogen 2.891 N/A HIS 450.A N TYR 443.A O no hydrogen 2.864 N/A HIS 450.A ND1 TYR 483.A OH no hydrogen 2.663 N/A LEU 451.A N MET 242.A O no hydrogen 2.844 N/A THR 452.A N ARG 440.A O no hydrogen 2.914 N/A THR 452.A OG1 ARG 440.A O no hydrogen 3.557 N/A GLY 453.A N GLU 240.A O no hydrogen 2.951 N/A ILE 460.A N PRO 457.A O no hydrogen 3.151 N/A LYS 461.A N ASP 458.A O no hydrogen 3.285 N/A LYS 461.A NZ ILE 456.A O no hydrogen 2.727 N/A ILE 463.A N ILE 460.A O no hydrogen 2.930 N/A VAL 464.A N LYS 461.A O no hydrogen 3.396 N/A ASP 465.A N TRP 472.A O no hydrogen 2.843 N/A LYS 467.A N ASP 465.A OD1 no hydrogen 2.999 N/A LYS 468.A N ASP 465.A OD1 no hydrogen 2.920 N/A GLY 470.A N ASN 247.A O no hydrogen 2.853 N/A TYR 471.A N LYS 468.A O no hydrogen 3.116 N/A TRP 472.A N ILE 463.A O no hydrogen 2.776 N/A ALA 473.A N ASP 245.A O no hydrogen 2.808 N/A HIS 474.A NE2 THR 477.A OG1 no hydrogen 2.881 N/A GLU 475.A N VAL 243.A O no hydrogen 2.844 N/A SER 476.A N VAL 243.A O no hydrogen 3.444 N/A THR 477.A OG1 HIS 474.A NE2 no hydrogen 2.881 N/A PHE 478.A N GLY 241.A O no hydrogen 2.799 N/A LYS 479.A N ASP 492.A O no hydrogen 2.808 N/A ARG 480.A NE ASP 492.A OD2 no hydrogen 2.778 N/A ARG 480.A NH2 ASP 492.A OD2 no hydrogen 3.321 N/A ALA 481.A N ILE 238.A O no hydrogen 3.015 N/A LYS 482.A N ILE 490.A O no hydrogen 3.040 N/A TYR 483.A OH HIS 450.A ND1 no hydrogen 2.663 N/A LEU 484.A N THR 488.A O no hydrogen 2.901 N/A ARG 485.A N THR 488.A O no hydrogen 3.401 N/A ARG 485.A NE LYS 564.A O no hydrogen 3.441 N/A ARG 485.A NE LYS 564.A OXT no hydrogen 3.102 N/A ARG 485.A NH1 GLU 235.A OE2 no hydrogen 3.020 N/A ARG 485.A NH1 LEU 484.A O no hydrogen 2.807 N/A ARG 485.A NH2 LYS 564.A O no hydrogen 2.941 N/A LYS 487.A N TYR 443.A OH no hydrogen 2.821 N/A LYS 487.A NZ ASP 445.A OD1 no hydrogen 3.057 N/A LYS 487.A NZ ASP 445.A OD2 no hydrogen 2.966 N/A THR 488.A N ARG 485.A O no hydrogen 3.000 N/A THR 488.A OG1 GLN 486.A O no hydrogen 3.090 N/A TYR 489.A N LYS 518.A O no hydrogen 2.694 N/A ILE 490.A N LYS 482.A O no hydrogen 2.904 N/A GLN 491.A N SER 516.A O no hydrogen 2.959 N/A GLN 491.A NE2 TYR 483.A OH no hydrogen 2.878 N/A ASP 492.A N ARG 480.A O no hydrogen 2.993 N/A ILE 493.A N LYS 514.A O no hydrogen 2.803 N/A TYR 494.A N THR 477.A O no hydrogen 2.974 N/A TYR 494.A OH GLU 240.A OE2 no hydrogen 2.643 N/A MET 495.A N ASP 512.A O no hydrogen 2.946 N/A LYS 496.A N VAL 503.A O no hydrogen 2.720 N/A LYS 496.A NZ ASP 509.A OD2 no hydrogen 3.042 N/A GLU 497.A N THR 511.A OG1 no hydrogen 3.121 N/A VAL 498.A N LYS 501.A O no hydrogen 2.655 N/A LYS 501.A N VAL 498.A O no hydrogen 3.096 N/A LYS 501.A NZ ASP 499.A O no hydrogen 3.220 N/A VAL 503.A N LYS 496.A O no hydrogen 2.825 N/A GLU 504.A N GLU 504.A OE1 no hydrogen 2.865 N/A GLY 505.A N TYR 494.A O no hydrogen 2.879 N/A SER 506.A N ASP 509.A O no hydrogen 2.915 N/A ASP 509.A N SER 506.A O no hydrogen 3.000 N/A THR 511.A N MET 495.A O no hydrogen 2.773 N/A THR 511.A OG1 ASP 512.A OD2 no hydrogen 2.877 N/A ASP 512.A N MET 495.A O no hydrogen 3.191 N/A LYS 514.A N ILE 493.A O no hydrogen 2.857 N/A SER 516.A N GLN 491.A O no hydrogen 2.842 N/A LYS 518.A N TYR 489.A O no hydrogen 2.855 N/A CYS 519.A SG.A ALA 520.A O no hydrogen 3.986 N/A CYS 519.A SG.B LYS 518.A O no hydrogen 2.483 N/A ALA 520.A N LYS 487.A O no hydrogen 3.000 N/A MET 522.A N CYS 519.A O no hydrogen 3.010 N/A ILE 526.A N THR 523.A OG1 no hydrogen 3.312 N/A LYS 527.A N THR 523.A O no hydrogen 3.001 N/A LYS 527.A NZ VAL 517.A O no hydrogen 3.240 N/A LYS 528.A N ASP 524.A O no hydrogen 3.114 N/A GLU 529.A N ILE 526.A O no hydrogen 2.889 N/A VAL 530.A N LYS 527.A O no hydrogen 3.171 N/A THR 531.A N ASN 534.A OD1 no hydrogen 2.882 N/A ASN 534.A N THR 531.A OG1 no hydrogen 3.078 N/A ASN 534.A ND2 GLU 529.A O no hydrogen 2.877 N/A PHE 535.A N THR 531.A O no hydrogen 3.027 N/A GLY 538.A N ILE 563.A O no hydrogen 2.831 N/A PHE 539.A N LYS 536.A O no hydrogen 2.987 N/A SER 540.A OG PHE 561.A O no hydrogen 3.343 N/A SER 540.A OG THR 562.A OG1 no hydrogen 3.017 N/A ARG 541.A N PHE 561.A O no hydrogen 2.944 N/A ARG 541.A NE GLU 529.A OE1 no hydrogen 3.183 N/A ARG 541.A NH1 SER 540.A O no hydrogen 2.844 N/A LYS 542.A NZ ASP 558.A O no hydrogen 3.084 N/A LYS 544.A N ASP 559.A O no hydrogen 3.050 N/A LYS 544.A NZ GLY 521.A O no hydrogen 3.284 N/A LYS 546.A N VAL 557.A O no hydrogen 2.841 N/A VAL 548.A N VAL 555.A O no hydrogen 2.879 N/A VAL 550.A N GLY 553.A O no hydrogen 2.891 N/A GLY 553.A N VAL 550.A O no hydrogen 3.130 N/A VAL 555.A N VAL 548.A O no hydrogen 3.011 N/A VAL 557.A N LYS 546.A O no hydrogen 2.878 N/A ASP 559.A N LYS 544.A O no hydrogen 2.744 N/A PHE 561.A N ARG 541.A O no hydrogen 2.838 N/A THR 562.A OG1 SER 540.A OG no hydrogen 3.017 N/A ILE 563.A N PHE 539.A O no hydrogen 2.885 N/A