Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lfu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N VAL 1.A O no hydrogen 2.974 N/A LEU 5.A N SER 2.A O no hydrogen 3.316 N/A LEU 8.A N LEU 5.A O no hydrogen 3.105 N/A ASN 9.A N GLN 12.A OE1 no hydrogen 2.912 N/A ASN 9.A ND2 TYR 277.A OH no hydrogen 2.920 N/A LYS 11.A NZ ARG 272.A O no hydrogen 2.903 N/A GLN 12.A N ASN 9.A OD1 no hydrogen 2.894 N/A GLN 12.A NE2 SER 31.A O no hydrogen 2.943 N/A ARG 13.A N ASN 9.A O no hydrogen 2.874 N/A GLU 14.A N ASP 10.A O no hydrogen 3.008 N/A ALA 15.A N LYS 11.A O no hydrogen 3.093 N/A VAL 16.A N GLN 12.A O no hydrogen 2.907 N/A ALA 17.A N ARG 13.A O no hydrogen 2.825 N/A ALA 18.A N ALA 15.A O no hydrogen 3.446 N/A ARG 20.A NE ASN 210.A OD1 no hydrogen 2.786 N/A ARG 20.A NH2 THR 209.A O no hydrogen 3.089 N/A ARG 20.A NH2 ASN 210.A OD1 no hydrogen 3.121 N/A SER 21.A OG PRO 19.A O no hydrogen 2.941 N/A LEU 23.A N VAL 237.A O no hydrogen 2.910 N/A LEU 24.A N GLU 269.A O no hydrogen 2.799 N/A VAL 25.A N ILE 239.A O no hydrogen 2.821 N/A LEU 26.A N ILE 271.A O no hydrogen 2.868 N/A ALA 27.A N GLY 241.A O no hydrogen 2.993 N/A GLY 28.A N LEU 273.A O no hydrogen 2.878 N/A SER 31.A OG GLY 28.A O no hydrogen 2.687 N/A LYS 33.A NZ ASP 214.A OD1 no hydrogen 2.957 N/A LYS 33.A NZ ASP 214.A OD2 no hydrogen 3.100 N/A LYS 33.A NZ GLU 215.A OE2 no hydrogen 2.972 N/A VAL 36.A N GLY 32.A O no hydrogen 3.123 N/A LEU 37.A N LYS 33.A O no hydrogen 3.044 N/A VAL 38.A N THR 34.A O no hydrogen 2.844 N/A HIS 39.A N ARG 35.A O no hydrogen 2.912 N/A HIS 39.A ND1 LEU 4.A O no hydrogen 2.933 N/A ARG 40.A N VAL 36.A O no hydrogen 2.773 N/A ARG 40.A NH1 ALA 18.A O no hydrogen 3.474 N/A ARG 40.A NH1 PRO 19.A O no hydrogen 3.484 N/A ARG 40.A NH2 VAL 16.A O no hydrogen 2.888 N/A ARG 40.A NH2 ALA 18.A O no hydrogen 2.602 N/A ILE 41.A N LEU 37.A O no hydrogen 3.087 N/A ALA 42.A N VAL 38.A O no hydrogen 3.077 N/A TRP 43.A N HIS 39.A O no hydrogen 2.833 N/A LEU 44.A N ARG 40.A O no hydrogen 2.952 N/A MET 45.A N ILE 41.A O no hydrogen 3.193 N/A SER 46.A N ALA 42.A O no hydrogen 2.818 N/A SER 46.A OG ALA 42.A O no hydrogen 2.815 N/A VAL 47.A N TRP 43.A O no hydrogen 2.805 N/A GLU 48.A N TRP 43.A O no hydrogen 3.116 N/A CYS 50.A N LEU 44.A O no hydrogen 2.906 N/A TYR 53.A N SER 51.A OG no hydrogen 3.102 N/A SER 54.A N SER 51.A O no hydrogen 3.020 N/A SER 54.A OG SER 51.A O no hydrogen 2.709 N/A ILE 55.A N PRO 52.A O no hydrogen 3.172 N/A MET 56.A N ASN 210.A O no hydrogen 3.001 N/A ALA 57.A N TRP 84.A O no hydrogen 2.858 N/A VAL 58.A N LEU 212.A O no hydrogen 2.793 N/A THR 59.A N GLY 86.A O no hydrogen 2.882 N/A THR 59.A OG1 THR 61.A O no hydrogen 3.018 N/A THR 59.A OG1 GLY 86.A O no hydrogen 3.408 N/A ALA 64.A N THR 61.A OG1 no hydrogen 2.945 N/A ALA 65.A N THR 61.A O no hydrogen 3.097 N/A ALA 66.A N ASN 62.A O no hydrogen 2.855 N/A GLU 67.A N LYS 63.A O no hydrogen 2.871 N/A MET 68.A N ALA 64.A O no hydrogen 2.969 N/A ARG 69.A N ALA 65.A O no hydrogen 2.961 N/A HIS 70.A N ALA 66.A O no hydrogen 3.012 N/A ARG 71.A N GLU 67.A O no hydrogen 2.927 N/A ARG 71.A NH1 GLU 67.A OE2 no hydrogen 2.747 N/A ILE 72.A N MET 68.A O no hydrogen 2.807 N/A GLY 73.A N ARG 69.A O no hydrogen 3.018 N/A GLN 74.A N HIS 70.A O no hydrogen 2.941 N/A LEU 75.A N ILE 72.A O no hydrogen 3.051 N/A MET 76.A N ILE 72.A O no hydrogen 2.775 N/A GLY 77.A N GLY 73.A O no hydrogen 2.664 N/A MET 83.A N GLN 80.A O no hydrogen 2.924 N/A TRP 84.A N ILE 55.A O no hydrogen 2.932 N/A GLY 86.A N ALA 57.A O no hydrogen 3.063 N/A GLY 90.A N THR 87.A OG1 no hydrogen 2.894 N/A LEU 91.A N THR 87.A O no hydrogen 3.001 N/A ALA 92.A N PHE 88.A O no hydrogen 2.945 N/A HIS 93.A N HIS 89.A O no hydrogen 2.945 N/A ARG 94.A N GLY 90.A O no hydrogen 2.960 N/A LEU 95.A N LEU 91.A O no hydrogen 2.939 N/A LEU 96.A N ALA 92.A O no hydrogen 2.976 N/A ARG 97.A N HIS 93.A O no hydrogen 2.848 N/A ALA 98.A N ARG 94.A O no hydrogen 3.243 N/A HIS 99.A N LEU 96.A O no hydrogen 3.228 N/A HIS 99.A NE2 TYR 204.A OH no hydrogen 2.496 N/A ALA 103.A N HIS 99.A O no hydrogen 3.070 N/A ALA 103.A N HIS 100.A O no hydrogen 2.984 N/A ASN 104.A N MET 101.A O no hydrogen 2.834 N/A LEU 105.A N HIS 100.A O no hydrogen 2.912 N/A GLN 110.A N GLY 179.A O no hydrogen 2.804 N/A LEU 112.A N VAL 181.A O no hydrogen 2.767 N/A ASP 116.A N ASP 113.A OD2 no hydrogen 2.850 N/A GLN 117.A N ASP 113.A O no hydrogen 2.854 N/A GLN 117.A NE2 ASN 145.A OD1 no hydrogen 2.850 N/A GLN 117.A NE2 TYR 171.A OH no hydrogen 3.117 N/A LEU 118.A N SER 114.A O no hydrogen 2.997 N/A ARG 119.A N GLU 115.A O no hydrogen 3.103 N/A LEU 120.A N ASP 116.A O no hydrogen 3.099 N/A LEU 121.A N GLN 117.A O no hydrogen 2.896 N/A LYS 122.A N LEU 118.A O no hydrogen 2.760 N/A ARG 123.A N ARG 119.A O no hydrogen 3.242 N/A LEU 124.A N LEU 120.A O no hydrogen 2.935 N/A ILE 125.A N LEU 121.A O no hydrogen 2.967 N/A LYS 126.A N LYS 122.A O no hydrogen 3.407 N/A ALA 127.A N ARG 123.A O no hydrogen 3.011 N/A MET 128.A N LEU 124.A O no hydrogen 2.962 N/A ASN 129.A N LYS 126.A O no hydrogen 3.031 N/A LEU 130.A N ILE 125.A O no hydrogen 3.172 N/A GLN 134.A N ASP 131.A O no hydrogen 3.001 N/A GLN 134.A N ASP 131.A OD2 no hydrogen 3.132 N/A TRP 135.A N ASP 131.A O no hydrogen 2.800 N/A ARG 138.A NE GLU 491.A OE2 no hydrogen 2.734 N/A ARG 138.A NH2 GLU 491.A OE1 no hydrogen 2.861 N/A ARG 138.A NH2 GLU 491.A OE2 no hydrogen 3.492 N/A GLN 139.A N PRO 136.A O no hydrogen 2.849 N/A ALA 140.A N PRO 136.A O no hydrogen 3.023 N/A MET 141.A N PRO 137.A O no hydrogen 2.946 N/A TRP 142.A N ARG 138.A O no hydrogen 2.946 N/A TRP 142.A NE1 LYS 492.A O no hydrogen 3.041 N/A TYR 143.A N GLN 139.A O no hydrogen 2.895 N/A ILE 144.A N ALA 140.A O no hydrogen 2.889 N/A ASN 145.A N MET 141.A O no hydrogen 2.997 N/A ASN 145.A ND2 GLN 117.A OE1 no hydrogen 3.193 N/A SER 146.A N TRP 142.A O no hydrogen 3.029 N/A GLN 147.A N TYR 143.A O no hydrogen 3.070 N/A LYS 148.A N ILE 144.A O no hydrogen 2.954 N/A LYS 148.A NZ GLN 172.A OE1 no hydrogen 2.818 N/A LYS 148.A NZ ASP 182.A OD1 no hydrogen 3.310 N/A LYS 148.A NZ ASP 182.A OD2 no hydrogen 3.001 N/A LYS 148.A NZ GLU 185.A OE1 no hydrogen 2.616 N/A ASP 149.A N ASN 145.A O no hydrogen 2.875 N/A GLY 151.A N LYS 148.A O no hydrogen 3.007 N/A LEU 152.A N GLN 147.A O no hydrogen 3.012 N/A ARG 153.A NH1 GLU 185.A OE1 no hydrogen 2.853 N/A ARG 153.A NH1 GLU 185.A OE2 no hydrogen 3.413 N/A ARG 153.A NH2 GLU 185.A OE2 no hydrogen 3.431 N/A ARG 153.A NH2 GLU 192.A OE1 no hydrogen 3.426 N/A ARG 153.A NH2 GLU 192.A OE2 no hydrogen 2.927 N/A HIS 155.A N GLN 165.A OE1 no hydrogen 2.927 N/A TRP 164.A N VAL 160.A O no hydrogen 3.112 N/A GLN 165.A N GLU 161.A O no hydrogen 2.797 N/A GLN 165.A NE2 TYR 143.A OH no hydrogen 2.692 N/A LYS 166.A N GLN 162.A O no hydrogen 3.132 N/A VAL 167.A N THR 163.A O no hydrogen 3.009 N/A TYR 168.A N TRP 164.A O no hydrogen 2.814 N/A TYR 168.A OH LEU 152.A O no hydrogen 2.531 N/A GLN 169.A N GLN 165.A O no hydrogen 2.824 N/A GLN 169.A NE2 HIS 156.A O no hydrogen 2.976 N/A GLN 169.A NE2 GLN 165.A O no hydrogen 3.583 N/A ALA 170.A N LYS 166.A O no hydrogen 2.963 N/A TYR 171.A N VAL 167.A O no hydrogen 2.863 N/A TYR 171.A OH ASP 182.A OD2 no hydrogen 2.588 N/A GLN 172.A N TYR 168.A O no hydrogen 3.004 N/A GLU 173.A N GLN 169.A O no hydrogen 3.011 N/A ALA 174.A N ALA 170.A O no hydrogen 2.918 N/A CYS 175.A N TYR 171.A O no hydrogen 2.933 N/A CYS 175.A SG TYR 171.A O no hydrogen 3.407 N/A ASP 176.A N GLN 172.A O no hydrogen 2.841 N/A ARG 177.A N GLU 173.A O no hydrogen 2.876 N/A ALA 178.A N ALA 174.A O no hydrogen 3.143 N/A LEU 180.A N CYS 175.A O no hydrogen 3.019 N/A VAL 181.A N GLN 110.A O no hydrogen 2.790 N/A GLU 185.A N ASP 182.A OD1 no hydrogen 2.813 N/A LEU 186.A N ASP 182.A O no hydrogen 3.143 N/A LEU 188.A N ALA 184.A O no hydrogen 3.311 N/A ARG 189.A N GLU 185.A O no hydrogen 2.784 N/A ARG 189.A NE ALA 103.A O no hydrogen 3.430 N/A ARG 189.A NH1 GLU 185.A OE2 no hydrogen 3.087 N/A ARG 189.A NH2 ALA 103.A O no hydrogen 2.791 N/A ALA 190.A N LEU 186.A O no hydrogen 2.939 N/A HIS 191.A N LEU 187.A O no hydrogen 2.867 N/A GLU 192.A N LEU 188.A O no hydrogen 2.949 N/A LEU 193.A N ARG 189.A O no hydrogen 2.943 N/A TRP 194.A N ALA 190.A O no hydrogen 3.353 N/A LEU 195.A N HIS 191.A O no hydrogen 3.038 N/A ASN 196.A N GLU 192.A O no hydrogen 2.877 N/A ASN 196.A N LEU 193.A O no hydrogen 3.335 N/A LYS 197.A N LEU 193.A O no hydrogen 3.019 N/A HIS 199.A N HIS 199.A ND1 no hydrogen 2.954 N/A LEU 201.A N LYS 197.A O no hydrogen 3.013 N/A GLN 202.A N PRO 198.A O no hydrogen 2.912 N/A HIS 203.A N HIS 199.A O no hydrogen 3.203 N/A TYR 204.A N ILE 200.A O no hydrogen 3.251 N/A TYR 204.A OH HIS 99.A NE2 no hydrogen 2.496 N/A ARG 205.A N LEU 201.A O no hydrogen 2.945 N/A ARG 205.A NE LEU 229.A O no hydrogen 3.251 N/A ARG 205.A NE LEU 230.A O no hydrogen 3.194 N/A ARG 205.A NH2 LEU 229.A O no hydrogen 2.678 N/A GLU 206.A N GLN 202.A O no hydrogen 2.929 N/A ARG 207.A N HIS 203.A O no hydrogen 2.931 N/A ARG 207.A NE TYR 53.A O no hydrogen 2.968 N/A ARG 207.A NH2 GLY 82.A O no hydrogen 2.768 N/A PHE 208.A N TYR 204.A O no hydrogen 2.811 N/A THR 209.A N ARG 207.A O no hydrogen 2.984 N/A ASN 210.A N SER 54.A O no hydrogen 2.987 N/A ASN 210.A ND2 SER 54.A OG no hydrogen 2.964 N/A ILE 211.A N LYS 236.A O no hydrogen 3.123 N/A LEU 212.A N MET 56.A O no hydrogen 2.803 N/A VAL 213.A N MET 238.A O no hydrogen 3.016 N/A ASP 214.A N VAL 58.A O no hydrogen 2.958 N/A GLU 215.A N ASP 214.A OD1 no hydrogen 2.855 N/A PHE 216.A N VAL 240.A O no hydrogen 2.948 N/A GLN 217.A NE2 GLU 215.A OE1 no hydrogen 2.928 N/A GLN 217.A NE2 ASP 218.A OD2 no hydrogen 2.972 N/A ASP 218.A N GLU 215.A O no hydrogen 2.935 N/A THR 219.A N PHE 216.A O no hydrogen 3.132 N/A THR 219.A OG1 PHE 216.A O no hydrogen 2.804 N/A THR 219.A OG1 ASN 257.A OD1 no hydrogen 2.927 N/A ASN 220.A N GLN 223.A OE1 no hydrogen 2.960 N/A GLN 223.A N ASN 220.A OD1 no hydrogen 2.896 N/A TYR 224.A N ASN 220.A O no hydrogen 3.018 N/A TYR 224.A OH ASP 264.A OD2 no hydrogen 2.540 N/A ALA 225.A N ASN 221.A O no hydrogen 2.941 N/A TRP 226.A N ILE 222.A O no hydrogen 2.922 N/A ILE 227.A N GLN 223.A O no hydrogen 3.065 N/A ARG 228.A N TYR 224.A O no hydrogen 2.924 N/A LEU 229.A N ALA 225.A O no hydrogen 2.952 N/A LEU 230.A N TRP 226.A O no hydrogen 3.047 N/A ALA 231.A N ILE 227.A O no hydrogen 3.021 N/A GLY 232.A N ARG 228.A O no hydrogen 2.949 N/A THR 234.A N ALA 231.A O no hydrogen 3.215 N/A GLY 235.A N ALA 231.A O no hydrogen 2.993 N/A LYS 236.A N THR 209.A O no hydrogen 2.926 N/A LYS 236.A NZ THR 234.A O no hydrogen 3.326 N/A VAL 237.A N ASN 22.A OD1 no hydrogen 3.075 N/A MET 238.A N ILE 211.A O no hydrogen 2.866 N/A ILE 239.A N LEU 23.A O no hydrogen 2.971 N/A VAL 240.A N VAL 213.A O no hydrogen 2.920 N/A GLY 241.A N VAL 25.A O no hydrogen 3.130 N/A ASP 242.A N GLN 217.A OE1 no hydrogen 2.911 N/A ASP 244.A N ASP 242.A OD1 no hydrogen 2.957 N/A GLN 245.A N ASP 242.A O no hydrogen 2.927 N/A GLN 245.A NE2 ASP 242.A OD2 no hydrogen 3.081 N/A SER 246.A N ASP 243.A O no hydrogen 3.361 N/A SER 246.A OG GLN 217.A O no hydrogen 3.003 N/A SER 246.A OG ASP 218.A OD1 no hydrogen 3.154 N/A ILE 247.A N ASP 218.A OD1 no hydrogen 3.120 N/A TYR 248.A N ASP 218.A OD1 no hydrogen 3.090 N/A TYR 248.A OH HIS 548.A O no hydrogen 3.044 N/A GLY 249.A N GLU 580.A OE1 no hydrogen 2.778 N/A ARG 251.A N TYR 248.A O no hydrogen 2.883 N/A GLY 252.A N GLY 249.A O no hydrogen 2.730 N/A ALA 253.A N TYR 248.A O no hydrogen 3.055 N/A GLN 254.A N THR 219.A O no hydrogen 2.885 N/A GLN 254.A NE2 GLU 256.A OE1 no hydrogen 2.934 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 2.762 N/A ASN 257.A N GLN 254.A O no hydrogen 2.903 N/A GLN 259.A NE2 ASN 263.A OD1 no hydrogen 2.909 N/A ARG 260.A N GLU 256.A O no hydrogen 2.877 N/A PHE 261.A N ASN 257.A O no hydrogen 2.970 N/A LEU 262.A N ILE 258.A O no hydrogen 3.324 N/A ASN 263.A N GLN 259.A O no hydrogen 2.965 N/A ASP 264.A N ARG 260.A O no hydrogen 2.846 N/A ASP 264.A N PHE 261.A O no hydrogen 3.147 N/A PHE 265.A N PHE 261.A O no hydrogen 3.034 N/A ALA 268.A N PHE 265.A O no hydrogen 2.882 N/A GLU 269.A N ASN 22.A O no hydrogen 3.323 N/A ILE 271.A N LEU 24.A O no hydrogen 2.779 N/A ARG 272.A NH1 GLY 299.A O no hydrogen 2.696 N/A ARG 272.A NH2 LEU 298.A O no hydrogen 3.359 N/A ARG 272.A NH2 GLY 299.A O no hydrogen 3.008 N/A LEU 273.A N LEU 26.A O no hydrogen 2.874 N/A ASN 276.A N TRP 303.A O no hydrogen 2.807 N/A ASN 276.A ND2 ALA 29.A O no hydrogen 2.796 N/A TYR 277.A N GLY 30.A O no hydrogen 3.026 N/A ARG 278.A N ASN 276.A OD1 no hydrogen 2.890 N/A ARG 278.A NE GLU 554.A OE2 no hydrogen 2.865 N/A ARG 278.A NH1 THR 590.A O no hydrogen 2.985 N/A SER 279.A N ASN 276.A OD1 no hydrogen 2.871 N/A SER 279.A OG THR 280.A O no hydrogen 3.325 N/A SER 281.A N ALA 307.A O no hydrogen 2.772 N/A SER 281.A OG ASP 308.A O no hydrogen 3.501 N/A ASN 282.A N ASP 308.A O no hydrogen 2.907 N/A ASN 282.A ND2 GLU 310.A O no hydrogen 3.089 N/A ASN 282.A ND2 CYS 626.A O no hydrogen 3.094 N/A ILE 283.A N THR 280.A OG1 no hydrogen 3.210 N/A LEU 284.A N THR 280.A O no hydrogen 3.098 N/A SER 285.A N SER 281.A O no hydrogen 2.891 N/A ALA 286.A N ASN 282.A O no hydrogen 3.140 N/A ALA 287.A N ILE 283.A O no hydrogen 2.935 N/A ASN 288.A N LEU 284.A O no hydrogen 2.820 N/A ASN 288.A ND2 LEU 302.A O no hydrogen 2.899 N/A ALA 289.A N SER 285.A O no hydrogen 3.090 N/A LEU 290.A N ALA 286.A O no hydrogen 2.958 N/A ILE 291.A N ALA 287.A O no hydrogen 3.064 N/A GLU 292.A N ALA 289.A O no hydrogen 3.254 N/A ASN 293.A N LEU 290.A O no hydrogen 3.229 N/A ASN 293.A ND2 LEU 290.A O no hydrogen 2.954 N/A ASN 294.A N ILE 291.A O no hydrogen 3.018 N/A ASN 294.A ND2 GLU 579.A O no hydrogen 3.097 N/A ASN 295.A N GLU 579.A OE1 no hydrogen 2.779 N/A ARG 297.A N ASN 295.A O no hydrogen 2.881 N/A ARG 297.A NE ASP 244.A OD1 no hydrogen 2.838 N/A ARG 297.A NE ASP 244.A OD2 no hydrogen 3.477 N/A ARG 297.A NH2 ASP 244.A OD2 no hydrogen 2.907 N/A LEU 298.A N ASP 243.A OD2 no hydrogen 2.849 N/A LYS 300.A NZ ASP 242.A OD1 no hydrogen 2.574 N/A LYS 300.A NZ ASP 242.A OD2 no hydrogen 3.273 N/A LYS 300.A NZ ASP 244.A OD2 no hydrogen 2.617 N/A LYS 300.A NZ TYR 586.A OH no hydrogen 3.502 N/A LYS 301.A N GLU 274.A OE2 no hydrogen 2.811 N/A LEU 302.A N ASN 288.A OD1 no hydrogen 3.006 N/A TRP 303.A N GLU 274.A O no hydrogen 3.038 N/A THR 304.A OG1 ASN 276.A O no hydrogen 2.931 N/A GLY 306.A N THR 304.A OG1 no hydrogen 2.875 N/A ILE 312.A N CYS 626.A O no hydrogen 2.870 N/A SER 313.A N LEU 596.A O no hydrogen 3.038 N/A SER 313.A OG GLU 628.A OE2 no hydrogen 2.914 N/A LEU 314.A N GLU 628.A O no hydrogen 3.035 N/A TYR 315.A N LEU 598.A O no hydrogen 2.997 N/A TYR 315.A OH ASP 322.A OD1 no hydrogen 2.781 N/A CYS 316.A SG ALA 317.A O no hydrogen 3.903 N/A CYS 316.A SG TYR 600.A OH no hydrogen 3.630 N/A ALA 317.A N TYR 600.A O no hydrogen 2.719 N/A PHE 318.A N ASP 322.A OD2 no hydrogen 2.565 N/A GLU 320.A N GLU 320.A OE1 no hydrogen 2.757 N/A LEU 321.A N ASN 319.A OD1 no hydrogen 2.940 N/A ASP 322.A N ASN 319.A OD1 no hydrogen 2.965 N/A GLU 323.A N ASN 319.A O no hydrogen 2.942 N/A ALA 324.A N GLU 320.A O no hydrogen 3.085 N/A ARG 325.A N LEU 321.A O no hydrogen 3.049 N/A PHE 326.A N ASP 322.A O no hydrogen 2.976 N/A VAL 327.A N GLU 323.A O no hydrogen 3.068 N/A VAL 328.A N ALA 324.A O no hydrogen 3.037 N/A ASN 329.A N ARG 325.A O no hydrogen 2.995 N/A ARG 330.A N PHE 326.A O no hydrogen 2.965 N/A ILE 331.A N VAL 327.A O no hydrogen 3.008 N/A LYS 332.A N VAL 328.A O no hydrogen 2.921 N/A THR 333.A N ASN 329.A O no hydrogen 3.167 N/A THR 333.A OG1 ASN 329.A O no hydrogen 3.318 N/A TRP 334.A N ARG 330.A O no hydrogen 3.215 N/A TRP 334.A NE1 ALA 340.A O no hydrogen 3.011 N/A GLN 335.A N ILE 331.A O no hydrogen 2.800 N/A ASP 336.A N LYS 332.A O no hydrogen 2.825 N/A ASN 337.A N THR 333.A O no hydrogen 3.066 N/A GLY 338.A N GLN 335.A O no hydrogen 2.924 N/A GLY 339.A N TRP 334.A O no hydrogen 2.817 N/A ALA 340.A N GLU 343.A OE2 no hydrogen 3.100 N/A LEU 341.A N ASP 540.A OD1 no hydrogen 2.618 N/A ALA 342.A N ASP 540.A OD2 no hydrogen 2.897 N/A GLU 343.A N ALA 340.A O no hydrogen 3.195 N/A CYS 344.A N LEU 341.A O no hydrogen 2.908 N/A CYS 344.A SG ALA 340.A O no hydrogen 4.047 N/A ALA 345.A N GLN 557.A O no hydrogen 2.942 N/A ILE 346.A N GLN 543.A O no hydrogen 2.875 N/A LEU 347.A N PHE 559.A O no hydrogen 2.776 N/A TYR 348.A N MET 545.A O no hydrogen 3.198 N/A ARG 349.A NE GLU 581.A OE1 no hydrogen 2.858 N/A ARG 349.A NE GLU 581.A OE2 no hydrogen 3.426 N/A ARG 349.A NH1 ARG 349.A O no hydrogen 3.041 N/A ARG 349.A NH2 GLU 581.A OE2 no hydrogen 2.931 N/A SER 350.A N GLN 353.A OE1 no hydrogen 2.876 N/A ASN 351.A ND2 ASN 502.A OD1 no hydrogen 2.902 N/A GLN 353.A N SER 350.A O no hydrogen 2.933 N/A SER 354.A N ASN 351.A O no hydrogen 2.954 N/A SER 354.A OG ASN 351.A O no hydrogen 3.058 N/A SER 354.A OG GLU 358.A OE2 no hydrogen 2.768 N/A ARG 355.A N ALA 352.A O no hydrogen 3.421 N/A ARG 355.A NH1 GLU 505.A OE1 no hydrogen 2.953 N/A ARG 355.A NH1 GLN 512.A OE1 no hydrogen 2.967 N/A ARG 355.A NH2 GLN 512.A OE1 no hydrogen 3.128 N/A GLU 358.A N SER 354.A O no hydrogen 2.773 N/A GLU 359.A N ARG 355.A O no hydrogen 2.907 N/A ALA 360.A N VAL 356.A O no hydrogen 3.031 N/A LEU 361.A N LEU 357.A O no hydrogen 2.897 N/A LEU 362.A N GLU 358.A O no hydrogen 2.886 N/A GLN 363.A N GLU 359.A O no hydrogen 2.944 N/A ALA 364.A N ALA 360.A O no hydrogen 3.155 N/A SER 365.A N LEU 362.A O no hydrogen 2.939 N/A MET 366.A N LEU 361.A O no hydrogen 2.945 N/A TYR 368.A OH GLU 358.A OE1 no hydrogen 2.596 N/A ARG 369.A N VAL 542.A O no hydrogen 2.851 N/A ARG 369.A NH1 TYR 368.A O no hydrogen 2.755 N/A ARG 369.A NH2 THR 537.A O no hydrogen 3.365 N/A TYR 371.A N LEU 544.A O no hydrogen 2.811 N/A ARG 375.A NH2 TYR 368.A O no hydrogen 2.864 N/A PHE 376.A N GLU 358.A OE2 no hydrogen 3.025 N/A GLU 378.A N ARG 375.A O no hydrogen 2.802 N/A ARG 379.A N PHE 376.A O no hydrogen 3.239 N/A ARG 379.A NE MET 374.A O no hydrogen 2.991 N/A ARG 379.A NH1 ASN 351.A O no hydrogen 2.766 N/A ARG 379.A NH2 ASN 351.A O no hydrogen 3.487 N/A ARG 379.A NH2 SER 354.A OG no hydrogen 2.819 N/A ARG 379.A NH2 MET 374.A O no hydrogen 3.020 N/A GLU 381.A N GLU 381.A OE1 no hydrogen 2.764 N/A LYS 383.A N ARG 379.A O no hydrogen 2.850 N/A ASP 384.A N GLN 380.A O no hydrogen 2.820 N/A ALA 385.A N GLU 381.A O no hydrogen 2.985 N/A LEU 386.A N ILE 382.A O no hydrogen 2.880 N/A SER 387.A N LYS 383.A O no hydrogen 3.006 N/A SER 387.A OG LYS 383.A O no hydrogen 3.406 N/A TYR 388.A N ASP 384.A O no hydrogen 3.232 N/A TYR 388.A OH THR 407.A O no hydrogen 2.623 N/A LEU 389.A N ALA 385.A O no hydrogen 3.134 N/A ARG 390.A N LEU 386.A O no hydrogen 2.793 N/A ARG 390.A NE ASP 397.A OD2 no hydrogen 3.002 N/A ARG 390.A NH2 ASP 397.A OD1 no hydrogen 3.018 N/A ARG 390.A NH2 ASP 397.A OD2 no hydrogen 3.540 N/A LEU 391.A N SER 387.A O no hydrogen 3.087 N/A ILE 392.A N TYR 388.A O no hydrogen 3.045 N/A ALA 393.A N LEU 389.A O no hydrogen 2.875 N/A ASN 394.A N ARG 390.A O no hydrogen 2.797 N/A ARG 395.A NE ASP 460.A OD1 no hydrogen 2.747 N/A ARG 395.A NH1 LEU 391.A O no hydrogen 3.082 N/A ARG 395.A NH1 ILE 392.A O no hydrogen 2.985 N/A ARG 395.A NH2 ASP 460.A OD1 no hydrogen 3.028 N/A ASP 397.A N ASN 394.A O no hydrogen 3.303 N/A ALA 400.A N ASP 397.A OD1 no hydrogen 3.107 N/A PHE 401.A N ASP 397.A O no hydrogen 2.907 N/A GLU 402.A N ASP 398.A O no hydrogen 2.979 N/A ARG 403.A N ALA 399.A O no hydrogen 3.027 N/A ARG 403.A NH1 GLN 380.A OE1 no hydrogen 2.696 N/A ARG 403.A NH1 ASP 384.A OD1 no hydrogen 3.175 N/A VAL 404.A N ALA 400.A O no hydrogen 3.208 N/A VAL 404.A N PHE 401.A O no hydrogen 3.283 N/A VAL 405.A N PHE 401.A O no hydrogen 2.851 N/A THR 407.A N VAL 404.A O no hydrogen 3.089 N/A THR 407.A OG1 ARG 403.A O no hydrogen 3.257 N/A THR 409.A OG1 GLU 132.A O no hydrogen 3.056 N/A ARG 410.A N ASN 406.A OD1 no hydrogen 2.980 N/A ARG 410.A NH1 TYR 388.A OH no hydrogen 3.101 N/A ARG 410.A NH1 VAL 405.A O no hydrogen 3.042 N/A ARG 410.A NH2 TYR 388.A OH no hydrogen 2.840 N/A ILE 412.A N ASN 406.A OD1 no hydrogen 2.981 N/A LEU 417.A N GLY 413.A O no hydrogen 3.123 N/A ASP 418.A N ASP 414.A O no hydrogen 2.888 N/A VAL 419.A N ARG 415.A O no hydrogen 3.176 N/A VAL 420.A N THR 416.A O no hydrogen 3.171 N/A ARG 421.A N LEU 417.A O no hydrogen 2.984 N/A ARG 421.A NE GLU 402.A OE2 no hydrogen 2.857 N/A ARG 421.A NH1 ASP 418.A OD2 no hydrogen 3.182 N/A ARG 421.A NH2 GLU 402.A OE1 no hydrogen 2.708 N/A GLN 422.A N ASP 418.A O no hydrogen 3.011 N/A THR 423.A N VAL 419.A O no hydrogen 2.932 N/A THR 423.A OG1 VAL 419.A O no hydrogen 2.841 N/A SER 424.A N VAL 420.A O no hydrogen 2.821 N/A SER 424.A OG ARG 421.A O no hydrogen 3.285 N/A SER 424.A OG LEU 429.A O no hydrogen 3.495 N/A ARG 425.A N ARG 421.A O no hydrogen 2.937 N/A ASP 426.A N GLN 422.A O no hydrogen 2.770 N/A ARG 427.A N THR 423.A O no hydrogen 2.818 N/A ARG 427.A NH1 GLU 437.A OE1 no hydrogen 2.826 N/A ARG 427.A NH1 GLU 441.A OE1 no hydrogen 3.475 N/A ARG 427.A NH1 GLU 441.A OE2 no hydrogen 2.744 N/A ARG 427.A NH2 GLU 441.A OE1 no hydrogen 2.906 N/A ARG 427.A NH2 GLU 441.A OE2 no hydrogen 3.523 N/A GLN 428.A N ARG 425.A O no hydrogen 3.131 N/A LEU 429.A N SER 424.A O no hydrogen 2.869 N/A THR 430.A N GLN 433.A OE1 no hydrogen 2.959 N/A THR 430.A OG1 ASN 396.A OD1 no hydrogen 2.847 N/A LEU 431.A N ASP 398.A OD1 no hydrogen 2.959 N/A GLN 433.A N THR 430.A OG1 no hydrogen 3.092 N/A ALA 434.A N THR 430.A O no hydrogen 2.941 N/A CYS 435.A N LEU 431.A O no hydrogen 2.931 N/A CYS 435.A SG LEU 431.A O no hydrogen 3.442 N/A ARG 436.A N TRP 432.A O no hydrogen 3.031 N/A ARG 436.A NH2 ASP 460.A OD2 no hydrogen 2.900 N/A GLU 437.A N GLN 433.A O no hydrogen 3.057 N/A LEU 438.A N ALA 434.A O no hydrogen 2.955 N/A LEU 439.A N CYS 435.A O no hydrogen 2.987 N/A GLN 440.A N ARG 436.A O no hydrogen 3.086 N/A GLU 441.A N GLU 437.A O no hydrogen 2.950 N/A LYS 442.A N LEU 439.A O no hydrogen 3.109 N/A ALA 443.A N LEU 438.A O no hydrogen 2.907 N/A ALA 448.A N ALA 445.A O no hydrogen 2.914 N/A ALA 449.A N ALA 445.A O no hydrogen 2.854 N/A SER 450.A N GLY 446.A O no hydrogen 3.047 N/A SER 450.A OG GLY 446.A O no hydrogen 3.263 N/A SER 450.A OG ARG 447.A O no hydrogen 3.321 N/A LEU 452.A N ALA 448.A O no hydrogen 3.222 N/A GLN 453.A N ALA 449.A O no hydrogen 2.885 N/A ARG 454.A N SER 450.A O no hydrogen 3.088 N/A ARG 454.A NH1 GLU 457.A OE1 no hydrogen 2.801 N/A PHE 455.A N ALA 451.A O no hydrogen 2.912 N/A MET 456.A N LEU 452.A O no hydrogen 2.951 N/A GLU 457.A N GLN 453.A O no hydrogen 2.946 N/A LEU 458.A N ARG 454.A O no hydrogen 2.814 N/A ILE 459.A N PHE 455.A O no hydrogen 3.076 N/A ASP 460.A N MET 456.A O no hydrogen 2.945 N/A ALA 461.A N GLU 457.A O no hydrogen 2.848 N/A LEU 462.A N LEU 458.A O no hydrogen 2.827 N/A ALA 463.A N ILE 459.A O no hydrogen 3.042 N/A GLN 464.A N ASP 460.A O no hydrogen 3.061 N/A GLU 465.A N ALA 461.A O no hydrogen 2.731 N/A THR 466.A N LEU 462.A O no hydrogen 3.010 N/A THR 466.A OG1 LEU 462.A O no hydrogen 2.741 N/A THR 466.A OG1 GLN 474.A OE1 no hydrogen 2.956 N/A ALA 467.A N GLN 464.A O no hydrogen 3.380 N/A MET 469.A N THR 466.A O no hydrogen 3.069 N/A GLN 474.A N PRO 470.A O no hydrogen 2.984 N/A THR 475.A N LEU 471.A O no hydrogen 2.951 N/A THR 475.A OG1 LEU 471.A O no hydrogen 2.933 N/A ASP 476.A N HIS 472.A O no hydrogen 2.977 N/A ARG 477.A N VAL 473.A O no hydrogen 2.951 N/A VAL 478.A N GLN 474.A O no hydrogen 2.842 N/A ILE 479.A N THR 475.A O no hydrogen 2.979 N/A LYS 480.A N ASP 476.A O no hydrogen 3.062 N/A ASP 481.A N ARG 477.A O no hydrogen 2.901 N/A SER 482.A N VAL 478.A O no hydrogen 3.011 N/A SER 482.A OG VAL 478.A O no hydrogen 2.739 N/A SER 482.A OG ILE 479.A O no hydrogen 3.351 N/A GLY 483.A N LYS 480.A O no hydrogen 3.121 N/A LEU 484.A N SER 482.A OG no hydrogen 3.144 N/A ARG 485.A N ILE 479.A O no hydrogen 3.211 N/A ARG 485.A NE GLU 489.A OE2 no hydrogen 3.235 N/A ARG 485.A NH2 GLU 504.A OE1 no hydrogen 2.278 N/A MET 487.A N GLY 483.A O no hydrogen 3.057 N/A GLU 489.A N ARG 485.A O no hydrogen 2.989 N/A GLN 490.A N THR 486.A O no hydrogen 2.979 N/A GLU 491.A N TYR 488.A O no hydrogen 3.114 N/A GLN 497.A N GLY 493.A O no hydrogen 3.221 N/A THR 498.A N GLU 494.A O no hydrogen 2.884 N/A THR 498.A OG1 GLU 494.A O no hydrogen 3.036 N/A ARG 499.A N LYS 495.A O no hydrogen 3.391 N/A ARG 499.A NH1 GLU 381.A OE1 no hydrogen 2.715 N/A ILE 500.A N GLY 496.A O no hydrogen 3.134 N/A GLU 501.A N GLN 497.A O no hydrogen 2.838 N/A ASN 502.A N THR 498.A O no hydrogen 3.169 N/A LEU 503.A N ARG 499.A O no hydrogen 2.953 N/A GLU 504.A N ILE 500.A O no hydrogen 2.906 N/A GLU 505.A N GLU 501.A O no hydrogen 3.009 N/A LEU 506.A N ASN 502.A O no hydrogen 3.001 N/A LEU 506.A N LEU 503.A O no hydrogen 3.023 N/A VAL 507.A N LEU 503.A O no hydrogen 3.384 N/A THR 508.A N GLU 504.A O no hydrogen 3.138 N/A THR 508.A OG1 ARG 605.A O no hydrogen 3.045 N/A ALA 509.A N GLU 505.A O no hydrogen 2.739 N/A THR 510.A N LEU 506.A O no hydrogen 2.969 N/A THR 510.A OG1 LEU 506.A O no hydrogen 2.983 N/A THR 510.A OG1 VAL 507.A O no hydrogen 3.145 N/A ARG 511.A N VAL 507.A O no hydrogen 3.062 N/A GLN 512.A N THR 508.A O no hydrogen 2.945 N/A GLN 512.A NE2 GLU 320.A OE2 no hydrogen 3.429 N/A PHE 513.A N ALA 509.A O no hydrogen 3.043 N/A SER 514.A N THR 510.A O no hydrogen 2.952 N/A GLN 521.A N GLN 521.A OE1 no hydrogen 2.751 N/A ALA 522.A N MET 518.A O no hydrogen 3.101 N/A PHE 523.A N PRO 519.A O no hydrogen 2.884 N/A LEU 524.A N LEU 520.A O no hydrogen 2.933 N/A SER 525.A N GLN 521.A O no hydrogen 2.897 N/A HIS 526.A N ALA 522.A O no hydrogen 2.941 N/A HIS 526.A NE2 GLU 359.A OE2 no hydrogen 3.145 N/A ALA 527.A N PHE 523.A O no hydrogen 2.805 N/A ALA 528.A N LEU 524.A O no hydrogen 2.833 N/A LEU 529.A N SER 525.A O no hydrogen 3.085 N/A LEU 529.A N HIS 526.A O no hydrogen 3.167 N/A GLU 530.A N HIS 526.A O no hydrogen 3.173 N/A VAL 542.A N PRO 367.A O no hydrogen 2.912 N/A GLN 543.A N CYS 344.A O no hydrogen 2.975 N/A GLN 543.A NE2 ALA 541.A O no hydrogen 2.916 N/A LEU 544.A N ARG 369.A O no hydrogen 2.928 N/A MET 545.A N ILE 346.A O no hydrogen 3.004 N/A THR 546.A OG1 TYR 348.A O no hydrogen 3.405 N/A THR 546.A OG1 ARG 349.A O no hydrogen 3.534 N/A LEU 547.A N TYR 348.A O no hydrogen 3.027 N/A HIS 548.A N THR 546.A OG1 no hydrogen 3.165 N/A ALA 550.A N THR 546.A O no hydrogen 3.140 N/A ALA 550.A N LEU 547.A O no hydrogen 3.197 N/A LYS 551.A N HIS 548.A O no hydrogen 3.338 N/A LYS 551.A NZ ASP 218.A OD2 no hydrogen 2.769 N/A LYS 551.A NZ GLN 245.A O no hydrogen 2.917 N/A LEU 553.A N ALA 550.A O no hydrogen 2.950 N/A PHE 555.A N ARG 591.A O no hydrogen 2.986 N/A GLN 557.A N GLU 343.A O no hydrogen 2.980 N/A VAL 558.A N LYS 595.A O no hydrogen 3.000 N/A PHE 559.A N ALA 345.A O no hydrogen 2.846 N/A ILE 560.A N THR 597.A O no hydrogen 2.867 N/A VAL 561.A N LEU 347.A O no hydrogen 2.975 N/A GLY 562.A N GLU 323.A OE2 no hydrogen 2.863 N/A MET 563.A N THR 599.A O no hydrogen 3.010 N/A GLU 564.A N GLY 562.A O no hydrogen 2.860 N/A GLU 565.A N ARG 614.A O no hydrogen 2.826 N/A GLY 566.A N PRO 569.A O no hydrogen 2.987 N/A MET 567.A N GLU 564.A O no hydrogen 2.837 N/A PHE 568.A N GLU 564.A O no hydrogen 2.760 N/A SER 570.A N GLU 581.A OE1 no hydrogen 3.205 N/A SER 570.A OG GLU 581.A OE1 no hydrogen 3.019 N/A SER 573.A N SER 570.A O no hydrogen 3.154 N/A GLU 581.A N ARG 577.A O no hydrogen 3.160 N/A ARG 582.A N LEU 578.A O no hydrogen 2.966 N/A ARG 582.A NE ASN 294.A OD1 no hydrogen 3.106 N/A ARG 582.A NH1 GLU 621.A OE1 no hydrogen 3.407 N/A ARG 582.A NH1 GLU 621.A OE2 no hydrogen 2.778 N/A ARG 582.A NH2 ASN 294.A OD1 no hydrogen 3.108 N/A ARG 583.A N GLU 579.A O no hydrogen 2.812 N/A ARG 583.A NE SER 246.A O no hydrogen 2.789 N/A LEU 584.A N GLU 580.A O no hydrogen 2.941 N/A ALA 585.A N GLU 581.A O no hydrogen 2.957 N/A TYR 586.A N ARG 582.A O no hydrogen 2.929 N/A VAL 587.A N ARG 583.A O no hydrogen 2.874 N/A GLY 588.A N LEU 584.A O no hydrogen 2.953 N/A VAL 589.A N ALA 585.A O no hydrogen 2.901 N/A THR 590.A N TYR 586.A O no hydrogen 3.009 N/A THR 590.A OG1 TYR 586.A O no hydrogen 2.861 N/A THR 590.A OG1 VAL 587.A O no hydrogen 3.189 N/A ARG 591.A N GLY 588.A O no hydrogen 3.177 N/A ARG 591.A NE VAL 587.A O no hydrogen 2.732 N/A ARG 591.A NH1 LEU 553.A O no hydrogen 2.980 N/A ARG 591.A NH2 THR 590.A OG1 no hydrogen 2.832 N/A ALA 592.A N VAL 589.A O no hydrogen 3.307 N/A MET 593.A N PHE 555.A O no hydrogen 2.788 N/A GLN 594.A N PRO 556.A O no hydrogen 2.948 N/A LYS 595.A N PRO 556.A O no hydrogen 2.904 N/A LYS 595.A NZ PRO 311.A O no hydrogen 2.772 N/A LYS 595.A NZ SER 313.A OG no hydrogen 2.971 N/A THR 597.A N VAL 558.A O no hydrogen 2.871 N/A LEU 598.A N SER 313.A O no hydrogen 2.783 N/A THR 599.A N ILE 560.A O no hydrogen 3.023 N/A THR 599.A OG1 GLU 323.A OE2 no hydrogen 2.591 N/A TYR 600.A N TYR 315.A O no hydrogen 3.134 N/A ALA 601.A N GLU 564.A OE1 no hydrogen 2.718 N/A GLU 602.A N ALA 317.A O no hydrogen 2.924 N/A THR 603.A N PHE 318.A O no hydrogen 3.343 N/A ARG 604.A N VAL 611.A O no hydrogen 2.960 N/A ARG 604.A NE GLU 564.A OE1 no hydrogen 3.197 N/A ARG 604.A NE GLU 564.A OE2 no hydrogen 2.887 N/A ARG 604.A NH2 GLU 323.A OE1 no hydrogen 2.512 N/A ARG 604.A NH2 GLU 564.A OE1 no hydrogen 2.954 N/A ARG 605.A N GLU 320.A OE1 no hydrogen 3.378 N/A ARG 605.A N GLU 320.A OE2 no hydrogen 2.778 N/A ARG 605.A NH1 GLY 608.A O no hydrogen 2.645 N/A LEU 606.A N LYS 609.A O no hydrogen 2.852 N/A TYR 607.A OH ASP 476.A OD1 no hydrogen 2.671 N/A TYR 607.A OH ASP 476.A OD2 no hydrogen 3.426 N/A GLY 608.A N THR 508.A OG1 no hydrogen 2.960 N/A LYS 609.A N LEU 606.A O no hydrogen 3.063 N/A VAL 611.A N ARG 604.A O no hydrogen 2.939 N/A HIS 613.A N GLU 602.A O no hydrogen 3.180 N/A SER 616.A N MET 563.A O no hydrogen 2.693 N/A SER 616.A OG PHE 568.A O no hydrogen 2.867 N/A ARG 617.A N GLU 565.A OE2 no hydrogen 2.787 N/A ARG 617.A NE GLU 565.A OE2 no hydrogen 2.871 N/A ARG 617.A NH2 GLU 565.A OE1 no hydrogen 2.918 N/A PHE 618.A N SER 616.A OG no hydrogen 3.166 N/A ILE 619.A N SER 616.A O no hydrogen 3.134 N/A GLU 621.A N ARG 617.A O no hydrogen 3.205 N/A LEU 622.A N ILE 619.A O no hydrogen 3.178 N/A CYS 626.A N PRO 623.A O no hydrogen 3.003 N/A CYS 626.A SG ASN 282.A O no hydrogen 3.769 N/A CYS 626.A SG ASN 282.A OD1 no hydrogen 3.427 N/A CYS 626.A SG SER 285.A OG no hydrogen 3.613 N/A VAL 627.A N GLU 624.A O no hydrogen 3.277 N/A GLU 628.A N ILE 312.A O no hydrogen 2.900 N/A VAL 630.A N LEU 314.A O no hydrogen 2.718 N/A ARG 631.A NE GLU 629.A OE1 no hydrogen 3.250 N/A ARG 631.A NH2 GLU 629.A OE1 no hydrogen 3.485 N/A ARG 633.A NH2 GLU 629.A O no hydrogen 3.395 N/A