Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kfe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ALA 17.A O no hydrogen 2.761 N/A ARG 6.A NH1 PRO 61.A O no hydrogen 3.164 N/A LEU 11.A N HIS 9.A ND1 no hydrogen 3.166 N/A ASP 12.A N HIS 9.A O no hydrogen 2.933 N/A SER 15.A N GLU 18.A OE1 no hydrogen 2.964 N/A SER 15.A OG GLU 18.A OE1 no hydrogen 3.419 N/A GLU 18.A N SER 15.A OG no hydrogen 2.966 N/A ILE 19.A N SER 15.A O no hydrogen 2.932 N/A LYS 20.A N THR 16.A O no hydrogen 3.086 N/A LYS 20.A NZ ASP 341.A OD1 no hydrogen 2.669 N/A ALA 21.A N ALA 17.A O no hydrogen 2.951 N/A ALA 22.A N GLU 18.A O no hydrogen 2.830 N/A THR 23.A N ILE 19.A O no hydrogen 2.884 N/A THR 23.A OG1 ILE 19.A O no hydrogen 3.496 N/A THR 23.A OG1 LYS 20.A O no hydrogen 3.267 N/A THR 23.A OG1 GLY 340.A O no hydrogen 2.628 N/A ASN 24.A N LYS 20.A O no hydrogen 2.896 N/A THR 25.A N ALA 21.A O no hydrogen 2.860 N/A THR 25.A OG1 ALA 21.A O no hydrogen 2.754 N/A VAL 26.A N ALA 22.A O no hydrogen 2.986 N/A LYS 27.A N THR 23.A O no hydrogen 2.758 N/A LYS 27.A NZ ALA 339.A O no hydrogen 2.813 N/A SER 28.A N ASN 24.A O no hydrogen 3.048 N/A TYR 29.A N THR 25.A O no hydrogen 2.983 N/A PHE 30.A N VAL 26.A O no hydrogen 3.024 N/A ALA 31.A N SER 28.A O no hydrogen 3.211 N/A LYS 33.A N PHE 30.A O no hydrogen 3.063 N/A SER 36.A N LEU 70.A O no hydrogen 2.934 N/A PHE 37.A N ARG 338.A O no hydrogen 2.973 N/A ASN 38.A N VAL 68.A O no hydrogen 2.899 N/A ASN 38.A ND2 ILE 101.A O no hydrogen 2.667 N/A THR 39.A N VAL 68.A O no hydrogen 3.212 N/A THR 39.A OG1 ASN 38.A OD1 no hydrogen 2.662 N/A THR 41.A N TYR 66.A O no hydrogen 2.803 N/A ARG 43.A N LEU 64.A O no hydrogen 2.856 N/A ARG 47.A N TYR 560.A OH no hydrogen 3.429 N/A ARG 47.A NE ASP 450.A OD1 no hydrogen 3.004 N/A ARG 47.A NE ASP 450.A OD2 no hydrogen 3.020 N/A ARG 47.A NH2 ASP 450.A OD1 no hydrogen 3.096 N/A TYR 50.A N ALA 46.A O no hydrogen 2.838 N/A TYR 50.A OH ASP 266.A OD2 no hydrogen 2.668 N/A ILE 51.A N ARG 47.A O no hydrogen 2.914 N/A GLN 52.A N LYS 48.A O no hydrogen 2.940 N/A TRP 53.A N ALA 49.A O no hydrogen 3.021 N/A LYS 54.A N TYR 50.A O no hydrogen 2.847 N/A GLU 55.A N ILE 51.A O no hydrogen 2.764 N/A GLN 56.A N GLN 52.A O no hydrogen 2.909 N/A GLY 58.A N GLN 52.A O no hydrogen 2.809 N/A ARG 63.A NE GLU 18.A OE2 no hydrogen 2.777 N/A ARG 63.A NH1 ASP 12.A O no hydrogen 2.965 N/A ARG 63.A NH2 ASP 12.A O no hydrogen 2.834 N/A ARG 63.A NH2 PRO 13.A O no hydrogen 3.093 N/A ARG 63.A NH2 GLU 18.A OE1 no hydrogen 2.979 N/A ALA 65.A N VAL 82.A O no hydrogen 2.964 N/A TYR 66.A N THR 41.A O no hydrogen 2.742 N/A TYR 66.A OH GLU 79.A OE1 no hydrogen 2.584 N/A TYR 67.A N GLY 80.A O no hydrogen 3.006 N/A TYR 67.A OH THR 92.A OG1 no hydrogen 3.195 N/A VAL 68.A N THR 39.A O no hydrogen 2.957 N/A ILE 69.A N LYS 78.A O no hydrogen 2.755 N/A LEU 70.A N SER 36.A O no hydrogen 2.990 N/A ALA 72.A N LYS 34.A O no hydrogen 2.982 N/A LYS 74.A N GLU 71.A O no hydrogen 2.989 N/A VAL 77.A N LEU 95.A O no hydrogen 3.029 N/A LYS 78.A N ILE 69.A O no hydrogen 2.873 N/A LYS 78.A NZ GLU 71.A OE1 no hydrogen 2.745 N/A GLU 79.A N ARG 93.A O no hydrogen 2.947 N/A GLY 80.A N TYR 67.A O no hydrogen 3.086 N/A LEU 81.A N GLU 91.A O no hydrogen 2.999 N/A VAL 82.A N ALA 65.A O no hydrogen 2.760 N/A ASP 83.A N SER 88.A O no hydrogen 2.809 N/A LEU 84.A N ARG 63.A O no hydrogen 3.047 N/A SER 86.A N ASP 83.A OD2 no hydrogen 2.948 N/A SER 86.A OG ASP 83.A OD2 no hydrogen 2.714 N/A SER 86.A OG SER 88.A OG no hydrogen 2.626 N/A LEU 87.A N LEU 84.A O no hydrogen 3.385 N/A SER 88.A N ASP 83.A O no hydrogen 3.185 N/A SER 88.A OG SER 86.A OG no hydrogen 2.626 N/A ILE 90.A N LEU 81.A O no hydrogen 3.045 N/A THR 92.A OG1 TYR 67.A OH no hydrogen 3.195 N/A ARG 93.A N GLU 79.A O no hydrogen 2.832 N/A ARG 93.A NE GLU 79.A OE2 no hydrogen 2.895 N/A ARG 93.A NH2 GLU 79.A OE2 no hydrogen 2.858 N/A LEU 95.A N VAL 77.A O no hydrogen 2.860 N/A GLN 99.A NE2 THR 152.A O no hydrogen 2.945 N/A LEU 102.A N GLU 308.A O no hydrogen 2.810 N/A THR 103.A N ASP 106.A OD2 no hydrogen 2.897 N/A THR 103.A OG1 ASP 106.A OD2 no hydrogen 2.944 N/A ASP 106.A N THR 103.A OG1 no hydrogen 3.194 N/A LEU 107.A N.A THR 103.A O no hydrogen 2.962 N/A LEU 107.A N.B THR 103.A O no hydrogen 2.957 N/A CYS 108.A N VAL 104.A O no hydrogen 2.927 N/A CYS 108.A N GLU 105.A O no hydrogen 3.181 N/A CYS 108.A SG VAL 104.A O no hydrogen 3.581 N/A SER 109.A N GLU 105.A O no hydrogen 3.149 N/A SER 109.A OG GLU 105.A O no hydrogen 3.483 N/A SER 109.A OG ASP 106.A O no hydrogen 2.988 N/A THR 110.A N LEU 107.A O.A no hydrogen 3.375 N/A THR 110.A OG1 GLN 157.A OE1 no hydrogen 3.256 N/A ILE 114.A N THR 110.A O no hydrogen 3.061 N/A ARG 115.A N GLU 111.A O no hydrogen 3.035 N/A ARG 115.A NE VAL 137.A O no hydrogen 2.824 N/A ARG 115.A NH2 VAL 137.A O no hydrogen 2.821 N/A ASN 116.A N VAL 113.A O no hydrogen 3.383 N/A ASN 116.A ND2 GLU 112.A O no hydrogen 2.924 N/A ASP 117.A N ILE 114.A O no hydrogen 3.272 N/A VAL 120.A N ASP 117.A OD2 no hydrogen 2.966 N/A ILE 121.A N ASP 117.A O no hydrogen 2.868 N/A GLU 122.A N PRO 118.A O no hydrogen 3.031 N/A GLN 123.A N ALA 119.A O no hydrogen 3.173 N/A CYS 124.A N VAL 120.A O no hydrogen 3.011 N/A CYS 124.A SG VAL 120.A O no hydrogen 3.482 N/A VAL 125.A N ILE 121.A O no hydrogen 2.885 N/A LEU 126.A N GLU 122.A O no hydrogen 2.978 N/A SER 127.A N GLN 123.A O no hydrogen 3.002 N/A SER 127.A N CYS 124.A O no hydrogen 2.951 N/A SER 127.A OG GLN 123.A O no hydrogen 2.711 N/A GLY 128.A N VAL 125.A O no hydrogen 2.917 N/A ILE 129.A N CYS 124.A O no hydrogen 3.040 N/A GLU 133.A N PRO 130.A O no hydrogen 2.711 N/A LYS 136.A N GLU 133.A O no hydrogen 2.781 N/A LYS 136.A NZ GLU 133.A OE1 no hydrogen 3.286 N/A VAL 137.A N MET 134.A O no hydrogen 3.091 N/A TYR 138.A N TYR 162.A O no hydrogen 2.803 N/A CYS 139.A N GLU 111.A OE2 no hydrogen 2.825 N/A ASP 140.A N LEU 160.A O no hydrogen 2.834 N/A TRP 142.A N ASP 140.A O no hydrogen 3.110 N/A THR 143.A N TYR 309.A OH no hydrogen 2.893 N/A ILE 144.A N LEU 156.A O no hydrogen 3.242 N/A GLY 145.A N THR 143.A OG1 no hydrogen 3.159 N/A GLU 148.A N GLU 148.A OE1 no hydrogen 2.648 N/A ARG 149.A N ASP 147.A OD1 no hydrogen 2.861 N/A ARG 149.A NE ASP 147.A OD1 no hydrogen 2.943 N/A ARG 149.A NE ASP 147.A OD2 no hydrogen 3.363 N/A ARG 149.A NH1 ASP 193.A OD1 no hydrogen 3.208 N/A ARG 149.A NH2 ASP 147.A OD2 no hydrogen 2.748 N/A ARG 149.A NH2 ASP 193.A OD1 no hydrogen 3.001 N/A ARG 149.A NH2 ASP 193.A OD2 no hydrogen 3.398 N/A TRP 150.A N ASP 147.A O no hydrogen 3.086 N/A GLY 151.A N ASP 147.A O no hydrogen 3.099 N/A THR 152.A OG1 THR 97.A O no hydrogen 2.851 N/A GLY 153.A N TRP 150.A O no hydrogen 3.137 N/A ARG 155.A NH1 GLU 185.A OE2 no hydrogen 2.778 N/A ARG 155.A NH2 PRO 100.A O no hydrogen 3.371 N/A ARG 155.A NH2 ASP 106.A OD2 no hydrogen 3.340 N/A LEU 156.A N GLN 574.A OE1 no hydrogen 2.910 N/A GLN 157.A N VAL 182.A O no hydrogen 2.888 N/A GLN 157.A NE2 THR 184.A OG1 no hydrogen 2.772 N/A GLN 158.A N TRP 142.A O no hydrogen 2.816 N/A GLN 158.A NE2 THR 143.A O no hydrogen 2.776 N/A GLN 158.A NE2 ARG 300.A O no hydrogen 3.087 N/A ALA 159.A N PRO 180.A O no hydrogen 2.961 N/A LEU 160.A N ASP 140.A O no hydrogen 2.996 N/A TYR 162.A N TYR 138.A O no hydrogen 2.823 N/A TYR 162.A OH THR 416.A O no hydrogen 2.717 N/A TYR 163.A N HIS 174.A O no hydrogen 2.841 N/A ARG 164.A N LYS 136.A O no hydrogen 2.879 N/A ARG 164.A NE GLN 171.A OE1 no hydrogen 2.842 N/A ARG 164.A NH1 GLU 167.A O no hydrogen 2.992 N/A ARG 164.A NH2 GLN 171.A OE1 no hydrogen 3.029 N/A SER 165.A OG.A ASP 169.A OD2 no hydrogen 2.364 N/A ASP 166.A N ASP 169.A OD2 no hydrogen 2.850 N/A ASP 168.A N ASP 166.A OD2 no hydrogen 2.837 N/A ASP 169.A N ASP 166.A O no hydrogen 2.940 N/A SER 170.A N ASN 208.A OD1 no hydrogen 2.689 N/A TYR 172.A OH ASP 140.A OD1 no hydrogen 3.276 N/A TYR 172.A OH ASP 140.A OD2 no hydrogen 2.611 N/A SER 173.A OG HIS 174.A ND1 no hydrogen 2.868 N/A HIS 174.A N GLN 171.A O no hydrogen 2.876 N/A HIS 174.A ND1 SER 173.A OG no hydrogen 2.868 N/A HIS 174.A NE2 HIS 204.A O no hydrogen 2.836 N/A LEU 176.A N VAL 161.A O no hydrogen 2.922 N/A CYS 179.A N ASP 193.A O no hydrogen 2.840 N/A CYS 179.A SG ALA 159.A O no hydrogen 3.961 N/A CYS 179.A SG PRO 180.A O no hydrogen 3.885 N/A ILE 181.A N PHE 191.A O no hydrogen 2.719 N/A VAL 182.A N GLN 157.A O no hydrogen 2.817 N/A ASP 183.A N LYS 188.A O no hydrogen 2.899 N/A THR 184.A N ARG 155.A O no hydrogen 2.858 N/A THR 184.A OG1 ARG 155.A O no hydrogen 3.464 N/A GLU 185.A N ASP 183.A OD1 no hydrogen 2.995 N/A GLU 186.A N ASP 183.A OD1 no hydrogen 2.927 N/A ILE 190.A N ILE 181.A O no hydrogen 2.833 N/A ASP 193.A N CYS 179.A O no hydrogen 2.889 N/A ARG 198.A NE ASP 177.A OD2 no hydrogen 2.795 N/A ARG 198.A NH1 GLN 123.A OE1 no hydrogen 2.907 N/A ARG 198.A NH1 ASP 177.A OD1 no hydrogen 2.919 N/A ARG 198.A NH2 GLN 123.A OE1 no hydrogen 2.950 N/A ARG 199.A N ASP 177.A OD2 no hydrogen 2.654 N/A ARG 199.A NE GLU 423.A OE1 no hydrogen 3.039 N/A ARG 199.A NH1 ARG 197.A O.A no hydrogen 3.123 N/A ARG 199.A NH1 ARG 197.A O.B no hydrogen 3.107 N/A ARG 199.A NH2 GLU 423.A OE1 no hydrogen 3.350 N/A ARG 199.A NH2 GLU 423.A OE2 no hydrogen 2.841 N/A VAL 201.A N SER 127.A O no hydrogen 2.912 N/A SER 202.A OG HIS 204.A ND1 no hydrogen 3.287 N/A HIS 204.A N SER 202.A OG no hydrogen 2.987 N/A HIS 204.A ND1 SER 202.A OG no hydrogen 3.287 N/A HIS 206.A NE2 TYR 163.A O no hydrogen 2.890 N/A ALA 207.A N SER 173.A OG no hydrogen 3.289 N/A ASN 208.A ND2 ASP 169.A OD1 no hydrogen 2.969 N/A TYR 210.A N HIS 213.A ND1 no hydrogen 3.360 N/A LYS 212.A NZ ASP 168.A OD2 no hydrogen 2.816 N/A MET 214.A N TYR 210.A O no hydrogen 3.038 N/A ILE 215.A N PRO 211.A O no hydrogen 3.084 N/A LYS 217.A N HIS 213.A O no hydrogen 3.028 N/A LYS 217.A NZ ASN 208.A O no hydrogen 2.972 N/A VAL 218.A N MET 214.A O no hydrogen 2.575 N/A GLY 219.A N ILE 215.A O no hydrogen 2.833 N/A GLN 232.A NE2 GLU 353.A OE2 no hydrogen 2.854 N/A GLY 235.A N GLN 232.A O no hydrogen 2.967 N/A SER 237.A N GLU 353.A OE2 no hydrogen 2.877 N/A SER 237.A OG GLU 353.A OE1 no hydrogen 2.579 N/A LYS 239.A N GLU 246.A O no hydrogen 2.988 N/A THR 241.A N VAL 244.A O no hydrogen 2.844 N/A ASN 243.A ND2 ASP 12.A OD1 no hydrogen 2.825 N/A VAL 244.A N THR 241.A O no hydrogen 2.983 N/A MET 245.A N PHE 252.A O no hydrogen 2.753 N/A GLU 246.A N LYS 239.A O no hydrogen 3.005 N/A TRP 247.A N PHE 250.A O no hydrogen 3.052 N/A TRP 247.A NE1 GLU 353.A OE1 no hydrogen 3.046 N/A ASN 249.A ND2 TYR 269.A OH no hydrogen 3.097 N/A PHE 250.A N TRP 247.A O no hydrogen 2.873 N/A LYS 251.A N SER 268.A O no hydrogen 2.924 N/A PHE 252.A N MET 245.A O no hydrogen 3.075 N/A HIS 253.A N SER 265.A O no hydrogen 2.830 N/A HIS 253.A NE2 ASP 12.A OD1 no hydrogen 2.809 N/A ILE 254.A N ASN 243.A O no hydrogen 2.939 N/A GLY 255.A N VAL 263.A O no hydrogen 2.748 N/A ASN 257.A N GLY 261.A O no hydrogen 2.891 N/A ASN 257.A ND2 GLU 260.A OE2 no hydrogen 2.877 N/A ARG 259.A N ASN 257.A OD1 no hydrogen 2.818 N/A ARG 259.A NH1 TYR 258.A OH no hydrogen 3.466 N/A ARG 259.A NH1 ASP 570.A O no hydrogen 2.680 N/A ARG 259.A NH2 GLY 569.A O no hydrogen 3.008 N/A ARG 259.A NH2 ASP 570.A O no hydrogen 3.268 N/A GLU 260.A N ASN 257.A OD1 no hydrogen 2.751 N/A GLY 261.A N ASN 257.A O no hydrogen 3.036 N/A VAL 263.A N GLY 255.A O no hydrogen 2.986 N/A LEU 264.A N ILE 282.A O no hydrogen 3.014 N/A SER 265.A N HIS 253.A O no hydrogen 2.851 N/A ASP 266.A N HIS 280.A O no hydrogen 2.939 N/A VAL 267.A N PHE 279.A O no hydrogen 2.864 N/A SER 268.A N LYS 251.A O no hydrogen 2.883 N/A TYR 269.A N ARG 276.A O no hydrogen 2.928 N/A ASN 270.A N ASN 249.A O no hydrogen 2.687 N/A ASP 271.A N ASN 274.A O no hydrogen 2.797 N/A HIS 272.A NE2 ASP 641.A OD2 no hydrogen 3.228 N/A GLY 273.A N ASN 270.A OD1 no hydrogen 2.693 N/A ASN 274.A N ASP 271.A O no hydrogen 3.060 N/A ARG 276.A N TYR 269.A O no hydrogen 2.784 N/A ARG 276.A NE ASP 454.A OD1 no hydrogen 2.953 N/A ARG 276.A NH1 ASP 271.A OD2 no hydrogen 2.967 N/A ARG 276.A NH1 PHE 633.A O no hydrogen 2.942 N/A ARG 276.A NH2 ASP 454.A OD2 no hydrogen 2.800 N/A ARG 276.A NH2 PHE 633.A O no hydrogen 2.865 N/A ILE 278.A N VAL 267.A O no hydrogen 2.894 N/A PHE 279.A N VAL 267.A O no hydrogen 3.241 N/A HIS 280.A N ASP 450.A O no hydrogen 2.774 N/A ARG 281.A N ASP 450.A O no hydrogen 3.211 N/A ARG 281.A NE GLU 44.A OE1 no hydrogen 2.850 N/A ARG 281.A NH1 GLU 260.A OE1 no hydrogen 2.787 N/A ARG 281.A NH2 GLU 44.A OE1 no hydrogen 3.510 N/A ARG 281.A NH2 GLU 44.A OE2 no hydrogen 2.801 N/A ARG 281.A NH2 GLU 260.A OE1 no hydrogen 3.564 N/A ARG 281.A NH2 GLU 260.A OE2 no hydrogen 2.991 N/A ILE 282.A N LEU 264.A O no hydrogen 2.850 N/A SER 283.A N ARG 448.A O no hydrogen 3.259 N/A SER 283.A OG GLU 260.A OE1 no hydrogen 2.627 N/A SER 285.A N SER 446.A O no hydrogen 2.928 N/A SER 285.A OG SER 446.A O no hydrogen 2.963 N/A MET 287.A N GLU 286.A OE1 no hydrogen 2.931 N/A ILE 288.A N LEU 444.A O no hydrogen 2.780 N/A VAL 289.A N ALA 303.A O no hydrogen 2.863 N/A TYR 291.A N LYS 301.A O no hydrogen 2.986 N/A GLY 292.A N ASN 440.A O no hydrogen 2.808 N/A HIS 298.A N GLU 295.A O no hydrogen 2.809 N/A GLN 299.A N GLN 299.A OE1 no hydrogen 2.845 N/A ARG 300.A N PRO 297.A O no hydrogen 3.015 N/A ARG 300.A NE GLN 158.A OE1 no hydrogen 2.977 N/A ARG 300.A NH1 ASP 147.A OD2 no hydrogen 2.889 N/A ARG 300.A NH1 ASP 193.A OD2 no hydrogen 2.763 N/A ARG 300.A NH2 GLN 158.A OE1 no hydrogen 3.167 N/A ARG 300.A NH2 ASP 193.A OD2 no hydrogen 2.976 N/A LYS 301.A N HIS 298.A O no hydrogen 3.061 N/A LYS 301.A NZ ASN 415.A OD1 no hydrogen 2.511 N/A LYS 301.A NZ HIS 439.A ND1 no hydrogen 3.106 N/A HIS 302.A ND1 GLN 299.A O no hydrogen 2.800 N/A LEU 304.A N GLU 308.A OE1 no hydrogen 2.870 N/A GLY 307.A N GLU 286.A OE1 no hydrogen 2.819 N/A GLU 308.A N LEU 304.A O no hydrogen 2.798 N/A TYR 309.A N ASP 305.A O no hydrogen 3.159 N/A GLY 310.A N ASP 305.A O no hydrogen 2.959 N/A ALA 311.A N ARG 259.A O no hydrogen 2.801 N/A GLY 312.A N TYR 258.A O no hydrogen 2.951 N/A TYR 313.A N TYR 258.A O no hydrogen 2.929 N/A TYR 313.A OH ASN 38.A O no hydrogen 2.687 N/A MET 314.A N.A GLY 310.A O no hydrogen 2.957 N/A MET 314.A N.B GLY 310.A O no hydrogen 2.991 N/A THR 315.A N GLY 312.A O no hydrogen 3.002 N/A THR 315.A OG1 GLN 384.A OE1 no hydrogen 2.790 N/A THR 315.A OG1 ILE 385.A O no hydrogen 3.345 N/A ASN 316.A N ILE 385.A O no hydrogen 2.743 N/A LEU 318.A N ASN 347.A O no hydrogen 2.888 N/A SER 319.A OG ASP 323.A OD2 no hydrogen 3.090 N/A CYS 322.A SG LEU 320.A O no hydrogen 3.908 N/A ASP 323.A N SER 319.A OG no hydrogen 2.338 N/A LYS 325.A NZ ILE 228.A O no hydrogen 2.851 N/A HIS 329.A N ILE 351.A O no hydrogen 2.912 N/A LEU 331.A N VAL 349.A O no hydrogen 2.891 N/A ALA 333.A N VAL 345.A O no hydrogen 2.837 N/A PHE 335.A N ILE 343.A O no hydrogen 2.803 N/A SER 336.A OG ASP 337.A O no hydrogen 2.781 N/A ASP 337.A N ASP 341.A O no hydrogen 2.868 N/A ARG 338.A N GLU 105.A OE1 no hydrogen 2.746 N/A ARG 338.A NH1 ASP 106.A OD1 no hydrogen 2.759 N/A ARG 338.A NH1 GLU 185.A OE2 no hydrogen 3.165 N/A ARG 338.A NH2 GLU 185.A OE1 no hydrogen 2.738 N/A ARG 338.A NH2 GLU 185.A OE2 no hydrogen 3.556 N/A ALA 339.A N ASP 337.A OD1 no hydrogen 2.955 N/A GLY 340.A N ASP 337.A O no hydrogen 3.057 N/A ASP 341.A N ASP 337.A OD1 no hydrogen 3.138 N/A ILE 343.A N PHE 335.A O no hydrogen 2.711 N/A VAL 345.A N ALA 333.A O no hydrogen 2.716 N/A LYS 346.A NZ ASP 332.A OD2 no hydrogen 2.620 N/A ASN 347.A N ASP 332.A OD1 no hydrogen 2.902 N/A ALA 348.A N LEU 331.A O no hydrogen 2.823 N/A VAL 349.A N LEU 331.A O no hydrogen 3.091 N/A CYS 350.A N SER 383.A O no hydrogen 2.922 N/A CYS 350.A SG SER 383.A OG no hydrogen 3.284 N/A ILE 351.A N HIS 329.A O no hydrogen 2.853 N/A HIS 352.A N VAL 381.A O no hydrogen 3.058 N/A HIS 352.A NE2 GLU 354.A OE2 no hydrogen 3.127 N/A GLU 354.A N LYS 379.A O no hydrogen 2.991 N/A ASP 356.A N ALA 377.A O no hydrogen 2.895 N/A GLY 357.A N ASP 355.A OD2.A no hydrogen 2.938 N/A LEU 359.A N THR 375.A O no hydrogen 2.794 N/A PHE 360.A N THR 375.A O no hydrogen 3.301 N/A HIS 362.A N LEU 373.A O no hydrogen 3.051 N/A SER 363.A OG SER 372.A OG no hydrogen 2.572 N/A ASP 364.A N THR 371.A O no hydrogen 2.969 N/A ARG 366.A N ASP 364.A OD1 no hydrogen 2.961 N/A ARG 366.A NH1 ASP 364.A OD1 no hydrogen 2.825 N/A ARG 366.A NH1 ASP 364.A OD2 no hydrogen 3.569 N/A ASN 368.A N PHE 365.A O no hydrogen 3.104 N/A PHE 369.A N ASP 364.A O no hydrogen 2.939 N/A ALA 370.A N ASP 367.A O no hydrogen 3.172 N/A THR 371.A N ASP 367.A OD1 no hydrogen 2.966 N/A THR 371.A OG1 ASP 367.A OD2 no hydrogen 2.445 N/A THR 371.A OG1 THR 650.A OG1 no hydrogen 2.653 N/A SER 372.A N MET 648.A O no hydrogen 2.917 N/A SER 372.A OG SER 363.A OG no hydrogen 2.572 N/A LEU 373.A N HIS 362.A O no hydrogen 3.054 N/A VAL 374.A N TYR 646.A O no hydrogen 2.793 N/A THR 375.A N PHE 360.A O no hydrogen 2.993 N/A ARG 376.A NE ASP 355.A OD1.A no hydrogen 3.101 N/A ARG 376.A NH1 ASP 355.A OD1.A no hydrogen 3.191 N/A ARG 376.A NH1 ASP 355.A OD2.A no hydrogen 2.790 N/A ALA 377.A N GLY 357.A O no hydrogen 2.727 N/A THR 378.A N GLN 400.A OE1 no hydrogen 2.862 N/A LYS 379.A N GLU 354.A O no hydrogen 2.871 N/A LEU 380.A N PHE 398.A O no hydrogen 3.043 N/A VAL 381.A N HIS 352.A O no hydrogen 2.760 N/A VAL 382.A N TRP 396.A O no hydrogen 2.883 N/A SER 383.A N CYS 350.A O no hydrogen 2.925 N/A GLN 384.A N LEU 394.A O no hydrogen 3.115 N/A PHE 386.A N TYR 392.A O no hydrogen 2.890 N/A THR 387.A N MET 314.A O.A no hydrogen 2.981 N/A THR 387.A N MET 314.A O.B no hydrogen 2.917 N/A THR 387.A OG1 ASN 316.A OD1 no hydrogen 2.828 N/A THR 387.A OG1 GLU 391.A OE2 no hydrogen 2.678 N/A ASN 390.A ND2 ILE 413.A O no hydrogen 2.794 N/A TYR 392.A N PHE 386.A O no hydrogen 2.819 N/A TYR 392.A OH ASP 305.A OD2 no hydrogen 2.991 N/A TYR 392.A OH HIS 443.A ND1 no hydrogen 2.961 N/A CYS 393.A N ARG 409.A O no hydrogen 2.899 N/A CYS 393.A SG ARG 409.A O no hydrogen 3.640 N/A LEU 394.A N GLN 384.A O no hydrogen 2.919 N/A TYR 395.A N ASP 407.A O no hydrogen 2.815 N/A TRP 396.A N VAL 382.A O no hydrogen 2.853 N/A VAL 397.A N ARG 405.A O no hydrogen 2.872 N/A PHE 398.A N LEU 380.A O no hydrogen 2.970 N/A MET 399.A N ALA 403.A O no hydrogen 2.859 N/A GLY 402.A N MET 399.A O no hydrogen 2.873 N/A ALA 403.A N ASP 401.A OD1 no hydrogen 2.962 N/A ILE 404.A N LEU 628.A O no hydrogen 3.003 N/A ARG 405.A N VAL 397.A O no hydrogen 2.851 N/A ARG 405.A NE ASP 407.A OD1 no hydrogen 3.197 N/A ARG 405.A NE ASP 407.A OD2 no hydrogen 3.043 N/A ARG 405.A NH1 ASP 356.A OD2 no hydrogen 3.490 N/A ARG 405.A NH2 ASP 407.A OD2 no hydrogen 2.844 N/A LEU 406.A N LEU 626.A O no hydrogen 3.059 N/A ASP 407.A N TYR 395.A O no hydrogen 2.886 N/A ILE 408.A N ILE 624.A O no hydrogen 2.762 N/A ARG 409.A N CYS 393.A O no hydrogen 2.938 N/A LEU 410.A N GLU 622.A O no hydrogen 2.901 N/A THR 411.A N GLU 391.A O no hydrogen 2.932 N/A THR 411.A OG1 MET 619.A O no hydrogen 2.493 N/A GLY 412.A N THR 411.A OG1 no hydrogen 2.690 N/A ILE 413.A N ASN 390.A O no hydrogen 2.900 N/A THR 416.A OG1 TYR 172.A O no hydrogen 2.691 N/A TYR 417.A N ASN 437.A O no hydrogen 2.775 N/A TYR 417.A OH ASP 177.A O no hydrogen 2.608 N/A LEU 419.A N ASN 435.A O no hydrogen 2.958 N/A GLY 420.A N GLU 423.A OE1 no hydrogen 2.773 N/A GLU 423.A N GLY 420.A O no hydrogen 3.065 N/A GLY 426.A N GLU 424.A OE2 no hydrogen 2.921 N/A GLY 429.A N ALA 425.A O no hydrogen 3.130 N/A THR 430.A N ALA 438.A O no hydrogen 3.029 N/A THR 430.A OG1 PRO 611.A O no hydrogen 2.664 N/A VAL 432.A N VAL 436.A O no hydrogen 3.341 N/A TYR 433.A OH LYS 205.A O no hydrogen 2.556 N/A ASN 435.A ND2 LEU 419.A O no hydrogen 2.886 N/A ASN 435.A ND2 ASP 421.A OD1 no hydrogen 2.808 N/A VAL 436.A N TYR 433.A O no hydrogen 3.066 N/A ASN 437.A N TYR 417.A O no hydrogen 2.780 N/A ALA 438.A N THR 430.A O no hydrogen 2.975 N/A ASN 440.A N TRP 428.A O no hydrogen 2.782 N/A ASN 440.A ND2 PRO 427.A O no hydrogen 3.034 N/A HIS 441.A N HIS 609.A O no hydrogen 3.221 N/A HIS 441.A ND1 HIS 439.A O no hydrogen 2.892 N/A GLN 442.A N PRO 290.A O no hydrogen 3.036 N/A GLN 442.A NE2 PRO 535.A O no hydrogen 2.863 N/A GLN 442.A NE2 THR 608.A OG1 no hydrogen 2.952 N/A HIS 443.A N ILE 607.A O no hydrogen 2.852 N/A HIS 443.A ND1 TYR 392.A OH no hydrogen 2.961 N/A LEU 444.A N ILE 288.A O no hydrogen 2.773 N/A PHE 445.A N PHE 605.A O no hydrogen 2.841 N/A SER 446.A N GLU 286.A O no hydrogen 2.806 N/A LEU 447.A N HIS 603.A O no hydrogen 2.812 N/A ARG 448.A N SER 283.A O no hydrogen 2.833 N/A ARG 448.A NE ARG 564.A O no hydrogen 2.867 N/A ARG 448.A NH2 ARG 564.A O no hydrogen 3.100 N/A ILE 449.A N PHE 601.A O no hydrogen 2.852 N/A ASP 450.A N ARG 281.A O no hydrogen 2.855 N/A ARG 452.A N ILE 278.A O no hydrogen 2.889 N/A ARG 452.A NE ASP 456.A OD1 no hydrogen 2.825 N/A ARG 452.A NH1 GLU 55.A OE2 no hydrogen 2.737 N/A ARG 452.A NH2 GLU 55.A OE1 no hydrogen 2.833 N/A ARG 452.A NH2 GLU 55.A OE2 no hydrogen 3.462 N/A ARG 452.A NH2 ASP 456.A OD1 no hydrogen 3.432 N/A ARG 452.A NH2 ASP 456.A OD2 no hydrogen 3.211 N/A ILE 453.A N ASN 458.A OD1 no hydrogen 2.901 N/A ASP 454.A N PRO 277.A O no hydrogen 2.864 N/A GLY 455.A N ARG 452.A O no hydrogen 2.945 N/A ASN 458.A N THR 597.A O no hydrogen 2.891 N/A ASN 458.A ND2 ILE 453.A O no hydrogen 3.662 N/A ASN 458.A ND2 GLY 455.A O no hydrogen 3.149 N/A SER 459.A N PHE 511.A O no hydrogen 2.774 N/A SER 459.A OG ASP 595.A OD1 no hydrogen 2.609 N/A ALA 461.A N ASP 509.A O no hydrogen 2.950 N/A ALA 462.A N THR 488.A O no hydrogen 3.087 N/A CYS 463.A N SER 507.A O no hydrogen 2.764 N/A CYS 463.A SG ASP 509.A OD2 no hydrogen 3.372 N/A ASP 464.A N GLU 486.A O no hydrogen 2.838 N/A ALA 465.A N THR 504.A O no hydrogen 2.973 N/A LYS 466.A N TYR 484.A O no hydrogen 2.924 N/A SER 468.A N ALA 482.A O no hydrogen 2.975 N/A TYR 470.A N SER 468.A OG no hydrogen 3.213 N/A GLY 473.A N MET 478.A O no hydrogen 3.017 N/A SER 474.A N PRO 471.A O no hydrogen 3.097 N/A SER 474.A OG PRO 471.A O no hydrogen 2.727 N/A GLU 476.A N GLU 476.A OE1 no hydrogen 2.837 N/A ASN 477.A N SER 474.A O no hydrogen 3.222 N/A ASN 477.A ND2 TYR 470.A O no hydrogen 2.965 N/A GLY 480.A N ASN 477.A O no hydrogen 2.939 N/A ALA 482.A N ASN 477.A OD1 no hydrogen 3.006 N/A TYR 484.A N LYS 466.A O no hydrogen 3.016 N/A TYR 484.A OH GLU 486.A OE2 no hydrogen 3.056 N/A GLU 486.A N ASP 464.A O no hydrogen 2.751 N/A THR 488.A N ALA 462.A O no hydrogen 2.832 N/A PHE 490.A N ALA 460.A O no hydrogen 2.949 N/A LYS 491.A N ASP 495.A OD2 no hydrogen 3.147 N/A THR 492.A N ASP 495.A OD2 no hydrogen 2.835 N/A THR 492.A OG1 ASP 495.A OD2 no hydrogen 3.287 N/A THR 492.A OG1 GLY 590.A O no hydrogen 3.330 N/A VAL 493.A N GLU 592.A O no hydrogen 3.094 N/A LYS 494.A N GLY 590.A O no hydrogen 2.970 N/A SER 496.A N VAL 493.A O no hydrogen 2.799 N/A SER 496.A OG VAL 493.A O no hydrogen 2.622 N/A SER 496.A OG VAL 557.A O no hydrogen 3.376 N/A LEU 497.A N LYS 494.A O no hydrogen 3.194 N/A THR 498.A N VAL 555.A O no hydrogen 3.354 N/A THR 498.A OG1 SER 496.A O no hydrogen 2.923 N/A TYR 500.A N SER 554.A OG no hydrogen 2.939 N/A THR 504.A N GLU 501.A O no hydrogen 3.347 N/A THR 504.A OG1 ASP 464.A OD1 no hydrogen 2.602 N/A THR 504.A OG1 GLU 501.A O no hydrogen 3.535 N/A GLY 505.A N SER 502.A O no hydrogen 3.343 N/A ARG 506.A N GLU 501.A O no hydrogen 3.162 N/A ARG 506.A NE ASP 464.A OD1 no hydrogen 2.768 N/A ARG 506.A NH1 ASN 499.A O no hydrogen 2.974 N/A ARG 506.A NH2 ASP 464.A OD1 no hydrogen 3.453 N/A ARG 506.A NH2 ASP 464.A OD2 no hydrogen 2.913 N/A SER 507.A N CYS 463.A O no hydrogen 3.048 N/A TRP 508.A N LEU 528.A O no hydrogen 3.372 N/A TRP 508.A NE1 THR 498.A OG1 no hydrogen 2.958 N/A ASP 509.A N ALA 461.A O no hydrogen 2.899 N/A ILE 510.A N TYR 526.A O no hydrogen 2.926 N/A PHE 511.A N SER 459.A O no hydrogen 2.865 N/A ASN 512.A N PRO 524.A O no hydrogen 3.135 N/A ASN 512.A ND2 ILE 453.A O no hydrogen 2.895 N/A ASN 514.A N ASN 512.A OD1 no hydrogen 2.955 N/A ASN 514.A ND2 ASN 512.A OD1 no hydrogen 2.894 N/A ASN 514.A ND2 ASN 596.A OD1 no hydrogen 2.939 N/A LYS 515.A N ASN 512.A O no hydrogen 3.295 N/A LYS 515.A NZ ASP 454.A O no hydrogen 2.980 N/A ASN 517.A N LYS 522.A O no hydrogen 2.766 N/A ASN 517.A ND2 HIS 632.A O no hydrogen 2.899 N/A ASN 517.A ND2 PHE 634.A O no hydrogen 2.971 N/A TYR 519.A N ASN 517.A OD1 no hydrogen 3.014 N/A SER 520.A N ASN 517.A OD1 no hydrogen 3.181 N/A SER 520.A OG HIS 632.A ND1 no hydrogen 2.818 N/A GLY 521.A N ASN 517.A O no hydrogen 2.913 N/A LYS 522.A N SER 520.A OG no hydrogen 3.258 N/A SER 525.A N ARG 631.A O no hydrogen 3.200 N/A SER 525.A OG ARG 631.A O no hydrogen 2.622 N/A TYR 526.A N ILE 510.A O no hydrogen 3.011 N/A TYR 526.A OH GLY 402.A O no hydrogen 2.733 N/A LYS 527.A N ARG 629.A O no hydrogen 2.764 N/A LYS 527.A NZ SER 507.A OG no hydrogen 2.944 N/A LYS 527.A NZ ASP 509.A OD1 no hydrogen 2.718 N/A LEU 528.A N TRP 508.A O no hydrogen 2.786 N/A VAL 529.A N MET 627.A O no hydrogen 2.839 N/A SER 530.A OG HIS 603.A NE2 no hydrogen 2.870 N/A CYS 533.A SG SER 530.A O no hydrogen 3.422 N/A CYS 533.A SG SER 530.A OG no hydrogen 3.559 N/A LEU 537.A N GLN 442.A OE1 no hydrogen 2.982 N/A SER 542.A N LYS 539.A O no hydrogen 2.866 N/A SER 542.A OG LYS 539.A O no hydrogen 2.583 N/A ALA 545.A N SER 542.A OG no hydrogen 3.076 N/A LYS 546.A N SER 542.A O no hydrogen 2.817 N/A LYS 546.A NZ ASP 578.A OD1 no hydrogen 2.858 N/A LYS 546.A NZ ASP 578.A OD2 no hydrogen 3.515 N/A ARG 547.A N LEU 543.A O no hydrogen 3.041 N/A ARG 547.A NE TRP 575.A O no hydrogen 2.652 N/A ARG 547.A NH1 HIS 302.A NE2 no hydrogen 2.967 N/A ARG 547.A NH2 GLU 308.A OE2 no hydrogen 2.883 N/A ARG 547.A NH2 VAL 572.A O no hydrogen 2.959 N/A ALA 548.A N VAL 544.A O no hydrogen 3.077 N/A TRP 550.A NE1 SER 568.A OG no hydrogen 2.724 N/A ALA 551.A N ALA 548.A O no hydrogen 2.912 N/A SER 552.A OG PRO 549.A O no hydrogen 3.196 N/A SER 554.A N ASN 499.A OD1 no hydrogen 3.155 N/A VAL 555.A N THR 498.A O no hydrogen 2.917 N/A ASN 556.A N PHE 602.A O no hydrogen 2.993 N/A VAL 557.A N SER 496.A OG no hydrogen 3.020 N/A VAL 558.A N LEU 600.A O no hydrogen 2.985 N/A TYR 560.A N ASP 598.A O no hydrogen 2.902 N/A TYR 560.A OH ASP 562.A OD1 no hydrogen 2.591 N/A ARG 564.A NH1 PRO 559.A O no hydrogen 2.850 N/A TYR 566.A OH GLU 260.A OE2 no hydrogen 2.712 N/A SER 568.A OG ARG 547.A O no hydrogen 2.669 N/A GLY 569.A N TYR 566.A O no hydrogen 2.869 N/A HIS 571.A NE2 GLU 79.A OE1 no hydrogen 2.864 N/A GLN 574.A N GLY 145.A O no hydrogen 2.951 N/A GLN 574.A NE2 GLY 151.A O no hydrogen 2.847 N/A GLN 574.A NE2 LYS 154.A O no hydrogen 2.680 N/A TRP 575.A N VAL 572.A O no hydrogen 3.282 N/A TRP 575.A NE1 ASP 578.A O no hydrogen 2.809 N/A SER 576.A OG ASP 578.A OD2 no hydrogen 2.660 N/A ASP 578.A N SER 576.A OG no hydrogen 2.970 N/A MET 583.A N PRO 567.A O no hydrogen 2.827 N/A ARG 584.A NH1 GLY 577.A O no hydrogen 2.846 N/A ARG 584.A NH1 GLY 579.A O no hydrogen 2.920 N/A ARG 584.A NH2 LYS 546.A O no hydrogen 2.757 N/A GLU 585.A N ARG 581.A O no hydrogen 3.275 N/A TRP 586.A N GLY 582.A O no hydrogen 3.032 N/A ILE 587.A N MET 583.A O no hydrogen 2.930 N/A GLY 588.A N ARG 584.A O no hydrogen 3.116 N/A GLY 590.A N ILE 587.A O no hydrogen 2.938 N/A SER 591.A N ASP 589.A OD1 no hydrogen 2.849 N/A SER 591.A OG ASP 589.A OD1 no hydrogen 2.654 N/A SER 591.A OG ASP 589.A OD2 no hydrogen 3.404 N/A ASN 593.A ND2 ASP 595.A O no hydrogen 3.192 N/A ILE 594.A N LYS 491.A O no hydrogen 3.012 N/A ASP 595.A N ASN 593.A OD1 no hydrogen 2.978 N/A ASN 596.A N SER 459.A OG no hydrogen 2.794 N/A ASN 596.A ND2 ASN 514.A OD1 no hydrogen 3.008 N/A THR 597.A N ASN 458.A O no hydrogen 3.052 N/A ASP 598.A N THR 597.A OG1 no hydrogen 2.786 N/A LEU 600.A N VAL 558.A O no hydrogen 2.903 N/A PHE 601.A N ILE 449.A O no hydrogen 2.886 N/A PHE 602.A N ASN 556.A O no hydrogen 2.820 N/A HIS 603.A N LEU 447.A O no hydrogen 2.779 N/A HIS 603.A ND1 SER 554.A O no hydrogen 2.878 N/A HIS 603.A NE2 SER 530.A OG no hydrogen 2.870 N/A THR 604.A N SER 554.A O no hydrogen 2.698 N/A THR 604.A OG1 TRP 550.A O no hydrogen 2.903 N/A THR 604.A OG1 HIS 553.A O no hydrogen 2.969 N/A PHE 605.A N PHE 445.A O no hydrogen 3.118 N/A GLY 606.A N GLN 532.A O no hydrogen 2.798 N/A ILE 607.A N HIS 443.A O no hydrogen 3.003 N/A HIS 609.A N HIS 441.A O no hydrogen 2.783 N/A HIS 609.A NE2 ASP 615.A OD2 no hydrogen 2.979 N/A ALA 612.A N ASP 615.A OD2 no hydrogen 3.083 N/A GLU 614.A N GLU 614.A OE1 no hydrogen 2.706 N/A ASP 615.A N ALA 612.A O no hydrogen 2.882 N/A PHE 616.A N PRO 613.A O no hydrogen 2.996 N/A MET 619.A N GLY 412.A O no hydrogen 2.758 N/A GLU 622.A N LEU 410.A O no hydrogen 2.783 N/A ILE 624.A N ILE 408.A O no hydrogen 2.808 N/A THR 625.A OG1 LEU 406.A O no hydrogen 3.309 N/A THR 625.A OG1 ASP 407.A OD1 no hydrogen 2.524 N/A LEU 626.A N LEU 406.A O no hydrogen 3.093 N/A MET 627.A N VAL 529.A O no hydrogen 2.984 N/A LEU 628.A N ILE 404.A O no hydrogen 2.810 N/A ARG 629.A N LYS 527.A O no hydrogen 3.009 N/A ARG 631.A N SER 525.A O no hydrogen 3.005 N/A HIS 632.A ND1 SER 520.A OG no hydrogen 2.818 N/A GLY 639.A N ASN 637.A OD1 no hydrogen 2.834 N/A ILE 642.A N GLY 639.A O no hydrogen 3.166 N/A TYR 646.A N VAL 374.A O no hydrogen 3.171 N/A MET 648.A N SER 372.A O no hydrogen 2.749 N/A THR 649.A N GLU 652.A OE1 no hydrogen 3.108 N/A THR 649.A OG1 SER 651.A OG no hydrogen 3.263 N/A THR 650.A OG1 THR 371.A OG1 no hydrogen 2.653 N/A SER 651.A OG THR 649.A OG1 no hydrogen 3.263 N/A GLU 652.A N THR 649.A OG1 no hydrogen 3.096 N/A ALA 653.A N THR 649.A O no hydrogen 2.896 N/A LYS 654.A N THR 650.A O no hydrogen 3.130 N/A ARG 655.A N SER 651.A O no hydrogen 3.054 N/A ALA 656.A N GLU 652.A O no hydrogen 3.042 N/A