Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xo4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N TYR 9.A OH no hydrogen 3.341 N/A GLN 4.A NE2 MET 1.A O no hydrogen 3.319 N/A GLN 6.A N GLN 6.A OE1 no hydrogen 2.658 N/A ALA 7.A N GLN 4.A O no hydrogen 3.238 N/A LYS 8.A N VAL 369.A O no hydrogen 2.776 N/A TYR 9.A OH THR 2.A O no hydrogen 2.745 N/A ARG 10.A N ASP 367.A O no hydrogen 3.012 N/A ARG 10.A NE ASP 367.A OD1 no hydrogen 2.989 N/A ARG 10.A NH2 ASP 367.A OD1 no hydrogen 2.754 N/A ASP 12.A N TYR 9.A O no hydrogen 2.960 N/A TYR 13.A N ARG 10.A O no hydrogen 3.135 N/A TYR 13.A OH ASP 136.A OD2 no hydrogen 2.369 N/A ARG 14.A NH1 HIS 11.A O no hydrogen 3.033 N/A ARG 14.A NH1 TYR 13.A O no hydrogen 2.946 N/A TYR 18.A OH ALA 50.A O no hydrogen 2.640 N/A GLN 19.A N VAL 43.A O.A no hydrogen 2.860 N/A GLN 19.A N VAL 43.A O.B no hydrogen 2.886 N/A GLN 19.A NE2 ASP 136.A O no hydrogen 3.169 N/A THR 21.A N GLN 41.A O no hydrogen 2.893 N/A THR 21.A OG1 ASP 22.A OD1 no hydrogen 2.532 N/A THR 21.A OG1 GLN 41.A O no hydrogen 3.437 N/A ILE 23.A N ARG 140.A O no hydrogen 2.953 N/A ASP 24.A N VAL 39.A O no hydrogen 2.836 N/A LEU 25.A N THR 142.A O.A no hydrogen 2.886 N/A LEU 25.A N THR 142.A O.B no hydrogen 2.917 N/A THR 26.A N THR 37.A O no hydrogen 2.866 N/A PHE 27.A N LYS 144.A O no hydrogen 2.817 N/A ASP 28.A N VAL 35.A O no hydrogen 2.867 N/A LEU 29.A N ILE 146.A O no hydrogen 2.913 N/A ASP 30.A N THR 34.A OG1 no hydrogen 3.156 N/A GLN 32.A N ASP 30.A OD1 no hydrogen 2.961 N/A LYS 33.A N ASP 30.A OD1 no hydrogen 2.903 N/A LYS 33.A NZ GLU 97.A OE2 no hydrogen 3.375 N/A THR 34.A N ILE 98.A O no hydrogen 2.937 N/A THR 34.A OG1 ASP 30.A O no hydrogen 2.720 N/A VAL 35.A N ASP 28.A O no hydrogen 3.043 N/A VAL 36.A N ASN 96.A O no hydrogen 2.853 N/A THR 37.A N THR 26.A O no hydrogen 2.874 N/A ALA 38.A N ILE 94.A O no hydrogen 2.873 N/A VAL 39.A N ASP 24.A O no hydrogen 2.837 N/A SER 40.A N LEU 92.A O no hydrogen 2.832 N/A GLN 41.A N ASP 22.A O no hydrogen 2.845 N/A GLN 41.A NE2 THR 91.A OG1 no hydrogen 2.825 N/A ALA 42.A N PHE 90.A O no hydrogen 2.882 N/A VAL 43.A N.A GLN 19.A O no hydrogen 2.794 N/A VAL 43.A N.B GLN 19.A O no hydrogen 2.803 N/A ARG 44.A N GLU 88.A O no hydrogen 2.826 N/A ARG 44.A NH1 TYR 18.A OH no hydrogen 3.487 N/A ARG 44.A NH1 LEU 86.A O no hydrogen 2.580 N/A ARG 44.A NH2 LEU 86.A O no hydrogen 3.329 N/A HIS 45.A N ASP 17.A O no hydrogen 2.841 N/A GLY 46.A N ASP 17.A O no hydrogen 2.940 N/A ALA 50.A N ALA 47.A O no hydrogen 2.838 N/A LEU 52.A N ILE 83.A O no hydrogen 2.843 N/A LEU 54.A N LEU 81.A O no hydrogen 2.819 N/A ASN 55.A N TYR 131.A O no hydrogen 2.812 N/A GLY 56.A N GLY 79.A O no hydrogen 3.055 N/A GLU 57.A N ARG 126.A O no hydrogen 2.928 N/A LYS 60.A N GLU 97.A O no hydrogen 3.009 N/A VAL 62.A N ILE 95.A O no hydrogen 2.866 N/A SER 63.A N ILE 95.A O no hydrogen 3.249 N/A HIS 65.A N LYS 93.A O no hydrogen 2.889 N/A ILE 66.A N GLU 69.A O no hydrogen 2.947 N/A ASN 67.A N THR 91.A O no hydrogen 2.830 N/A GLU 69.A N ILE 66.A O no hydrogen 2.889 N/A TRP 71.A N VAL 64.A O no hydrogen 2.872 N/A TRP 71.A NE1 SER 84.A O no hydrogen 3.052 N/A TRP 74.A NE1 TRP 71.A O no hydrogen 3.010 N/A LYS 75.A N VAL 82.A O no hydrogen 2.917 N/A LYS 75.A NZ GLU 77.A OE2 no hydrogen 3.144 N/A GLU 77.A N ALA 80.A O no hydrogen 2.995 N/A ALA 80.A N GLU 77.A O no hydrogen 3.023 N/A LEU 81.A N LEU 54.A O no hydrogen 2.954 N/A VAL 82.A N LYS 75.A O no hydrogen 2.805 N/A ILE 83.A N LEU 52.A O no hydrogen 2.869 N/A SER 84.A N ALA 73.A O no hydrogen 2.870 N/A PHE 90.A N ALA 42.A O no hydrogen 3.164 N/A THR 91.A N ASN 67.A OD1 no hydrogen 2.830 N/A LEU 92.A N SER 40.A O no hydrogen 2.856 N/A LYS 93.A N HIS 65.A O no hydrogen 2.939 N/A ILE 94.A N ALA 38.A O no hydrogen 2.918 N/A ILE 95.A N SER 63.A O no hydrogen 3.050 N/A ASN 96.A N VAL 36.A O no hydrogen 2.942 N/A ASN 96.A ND2 ILE 128.A O no hydrogen 2.874 N/A GLU 97.A N LYS 60.A O no hydrogen 2.792 N/A ILE 98.A N THR 34.A O no hydrogen 3.015 N/A SER 99.A OG GLN 32.A O no hydrogen 2.967 N/A ALA 101.A N ALA 31.A O no hydrogen 2.858 N/A ALA 102.A N SER 99.A O no hydrogen 3.161 N/A ASN 103.A N PRO 100.A O no hydrogen 3.118 N/A ASN 103.A ND2 GLU 107.A O no hydrogen 2.794 N/A ASN 103.A ND2 LEU 109.A O no hydrogen 3.117 N/A THR 104.A N ALA 102.A O no hydrogen 3.158 N/A THR 104.A OG1 ARG 818.A O no hydrogen 2.675 N/A LEU 106.A N ASN 103.A OD1 no hydrogen 3.129 N/A GLY 108.A N GLN 119.A O no hydrogen 2.748 N/A TYR 110.A N CYS 117.A O no hydrogen 2.886 N/A TYR 110.A OH PHE 257.A O no hydrogen 2.698 N/A SER 112.A N ALA 115.A O no hydrogen 2.829 N/A ALA 115.A N SER 112.A O no hydrogen 3.012 N/A LEU 116.A N ALA 191.A O no hydrogen 2.860 N/A CYS 117.A N TYR 110.A O no hydrogen 2.932 N/A THR 118.A OG1 LEU 189.A O no hydrogen 3.389 N/A GLN 119.A N GLY 108.A O no hydrogen 2.833 N/A GLN 119.A NE2 GLU 121.A O no hydrogen 3.139 N/A CYS 120.A SG PHE 187.A O no hydrogen 3.693 N/A GLY 124.A N CYS 120.A O no hydrogen 2.834 N/A ARG 126.A N ASP 133.A OD2 no hydrogen 3.136 N/A ARG 126.A NE ASP 133.A OD2 no hydrogen 2.849 N/A ARG 126.A NH2 ASP 133.A O no hydrogen 2.998 N/A HIS 127.A N GLY 124.A O no hydrogen 2.988 N/A ILE 128.A N PHE 125.A O no hydrogen 2.821 N/A THR 129.A N PHE 125.A O no hydrogen 3.195 N/A THR 129.A OG1 ASN 96.A OD1 no hydrogen 2.697 N/A TYR 130.A OH GLU 76.A OE2 no hydrogen 2.429 N/A TYR 131.A N ASN 55.A O no hydrogen 3.085 N/A ASP 133.A N ASN 55.A OD1 no hydrogen 3.014 N/A ARG 134.A N LEU 132.A O no hydrogen 2.989 N/A ARG 134.A NE ASP 136.A OD1 no hydrogen 2.728 N/A ARG 134.A NH2 ARG 14.A O no hydrogen 2.883 N/A ARG 134.A NH2 ASP 136.A OD1 no hydrogen 3.465 N/A ARG 134.A NH2 ASP 136.A OD2 no hydrogen 2.779 N/A VAL 137.A N ARG 134.A O no hydrogen 3.158 N/A ALA 139.A N LYS 182.A O no hydrogen 3.007 N/A ARG 140.A N THR 21.A O no hydrogen 3.031 N/A ARG 140.A NE PRO 179.A O no hydrogen 2.921 N/A THR 142.A N.A ILE 23.A O no hydrogen 2.983 N/A THR 142.A N.B ILE 23.A O no hydrogen 2.987 N/A THR 142.A OG1.B TRP 176.A O no hydrogen 3.146 N/A THR 143.A N TRP 176.A O no hydrogen 2.854 N/A LYS 144.A N LEU 25.A O no hydrogen 2.782 N/A ILE 145.A N VAL 174.A O no hydrogen 2.871 N/A ILE 146.A N PHE 27.A O no hydrogen 2.902 N/A ALA 147.A N HIS 172.A O no hydrogen 2.971 N/A LYS 149.A N GLY 170.A O no hydrogen 2.950 N/A LYS 149.A NZ GLU 166.A OE1 no hydrogen 3.426 N/A LYS 149.A NZ GLU 166.A OE2 no hydrogen 3.209 N/A LYS 151.A N ASP 148.A OD2 no hydrogen 2.869 N/A TYR 152.A N ASP 148.A O no hydrogen 2.783 N/A PHE 154.A N GLY 192.A O no hydrogen 3.006 N/A LEU 156.A N VAL 190.A O no hydrogen 2.841 N/A SER 157.A OG ALA 188.A O no hydrogen 2.812 N/A ASN 158.A ND2 LEU 186.A O no hydrogen 3.020 N/A ASN 158.A ND2 LYS 266.A O no hydrogen 2.965 N/A ASN 160.A N GLN 177.A O no hydrogen 3.010 N/A ASN 160.A ND2 ASP 248.A OD2 no hydrogen 2.890 N/A VAL 162.A N GLN 175.A O no hydrogen 2.736 N/A ALA 163.A N GLN 175.A O no hydrogen 3.321 N/A GLY 165.A N TRP 173.A O no hydrogen 2.984 N/A LEU 167.A N ARG 171.A O no hydrogen 2.818 N/A ARG 171.A NH2 ASP 28.A OD1 no hydrogen 2.695 N/A HIS 172.A N ALA 147.A O no hydrogen 2.937 N/A HIS 172.A NE2 TYR 152.A O no hydrogen 2.903 N/A TRP 173.A N GLY 165.A O no hydrogen 2.798 N/A VAL 174.A N ILE 145.A O no hydrogen 2.992 N/A GLN 175.A N ALA 163.A O no hydrogen 2.827 N/A TRP 176.A N THR 143.A O no hydrogen 2.836 N/A TRP 176.A NE1 LEU 155.A O no hydrogen 2.812 N/A GLN 177.A N ASN 160.A O no hydrogen 2.949 N/A ASP 178.A N PHE 141.A O no hydrogen 3.268 N/A PHE 180.A N ASP 178.A OD1 no hydrogen 3.006 N/A LYS 182.A N ALA 139.A O no hydrogen 2.834 N/A LYS 182.A NZ ASP 178.A OD2 no hydrogen 2.850 N/A CYS 184.A SG ASP 133.A OD1 no hydrogen 3.074 N/A TYR 185.A OH THR 309.A OG1 no hydrogen 2.878 N/A LEU 186.A N PRO 183.A O no hydrogen 3.271 N/A PHE 187.A N CYS 184.A O no hydrogen 3.046 N/A ALA 188.A N ASN 158.A OD1 no hydrogen 3.014 N/A LEU 189.A N THR 118.A OG1 no hydrogen 2.905 N/A VAL 190.A N LEU 156.A O no hydrogen 3.032 N/A ALA 191.A N LEU 116.A O no hydrogen 2.888 N/A GLY 192.A N PHE 154.A O no hydrogen 3.029 N/A ASP 195.A N VAL 215.A O no hydrogen 3.012 N/A LEU 197.A N LEU 213.A O no hydrogen 2.834 N/A ASP 199.A N LEU 211.A O no hydrogen 2.873 N/A THR 200.A N ASP 199.A OD1 no hydrogen 2.770 N/A PHE 201.A N VAL 209.A O no hydrogen 3.064 N/A THR 203.A N ARG 207.A O no hydrogen 2.785 N/A THR 203.A OG1 GLU 244.A OE1 no hydrogen 2.710 N/A ARG 204.A N GLU 238.A OE2 no hydrogen 2.872 N/A ARG 204.A NH1 GLU 244.A OE2 no hydrogen 2.734 N/A SER 205.A OG GLU 244.A OE1 no hydrogen 2.676 N/A SER 205.A OG GLU 244.A OE2 no hydrogen 3.360 N/A GLY 206.A N THR 203.A O no hydrogen 2.831 N/A ARG 207.A N THR 203.A OG1 no hydrogen 3.033 N/A ARG 207.A NE LEU 247.A O no hydrogen 3.322 N/A ARG 207.A NH2 ASP 248.A OD1 no hydrogen 3.352 N/A VAL 209.A N PHE 201.A O no hydrogen 2.794 N/A ALA 210.A N ASP 248.A O no hydrogen 2.831 N/A LEU 211.A N ASP 199.A O no hydrogen 2.908 N/A GLU 212.A N TYR 250.A O no hydrogen 2.960 N/A LEU 213.A N LEU 197.A O no hydrogen 2.922 N/A TYR 214.A N ILE 252.A O no hydrogen 2.879 N/A TYR 214.A OH GLU 212.A OE1 no hydrogen 2.589 N/A VAL 215.A N ASP 195.A O no hydrogen 2.949 N/A ARG 217.A NE ASP 193.A OD1 no hydrogen 3.341 N/A ARG 217.A NE ASP 193.A OD2 no hydrogen 3.118 N/A ARG 217.A NH1 ASP 195.A OD1 no hydrogen 2.680 N/A ARG 217.A NH2 ASP 193.A OD1 no hydrogen 2.867 N/A GLY 218.A N ASP 195.A OD2 no hydrogen 2.731 N/A ASN 219.A N ASP 216.A O no hydrogen 3.130 N/A ARG 222.A N ASN 219.A O no hydrogen 2.867 N/A ARG 222.A NH2 ASN 219.A OD1 no hydrogen 3.212 N/A ALA 223.A N LEU 220.A O no hydrogen 3.230 N/A TRP 225.A NE1 TYR 288.A O no hydrogen 2.905 N/A MET 227.A N ALA 223.A O no hydrogen 3.270 N/A THR 228.A N PRO 224.A O no hydrogen 2.939 N/A THR 228.A OG1 PRO 224.A O no hydrogen 2.827 N/A SER 229.A N TRP 225.A O no hydrogen 2.839 N/A SER 229.A OG TRP 225.A O no hydrogen 3.019 N/A LEU 230.A N ALA 226.A O no hydrogen 2.904 N/A LYS 231.A N MET 227.A O no hydrogen 3.042 N/A LYS 231.A NZ ASP 199.A OD2 no hydrogen 2.691 N/A ASN 232.A N THR 228.A O no hydrogen 2.816 N/A SER 233.A N SER 229.A O no hydrogen 2.818 N/A SER 233.A OG SER 229.A O no hydrogen 2.835 N/A MET 234.A N LEU 230.A O no hydrogen 2.961 N/A LYS 235.A N LYS 231.A O no hydrogen 3.037 N/A TRP 236.A N ASN 232.A O no hydrogen 2.858 N/A TRP 236.A NE1 ASP 333.A OD2 no hydrogen 2.906 N/A ASP 237.A N SER 233.A O no hydrogen 2.836 N/A GLU 238.A N MET 234.A O no hydrogen 3.208 N/A GLU 239.A N LYS 235.A O no hydrogen 2.967 N/A ARG 240.A N TRP 236.A O no hydrogen 2.850 N/A ARG 240.A NE GLU 397.A OE2 no hydrogen 2.896 N/A ARG 240.A NH1 GLU 329.A OE1 no hydrogen 2.915 N/A ARG 240.A NH1 ASP 333.A OD2 no hydrogen 2.885 N/A ARG 240.A NH2 GLU 329.A OE1 no hydrogen 2.941 N/A ARG 240.A NH2 GLU 397.A OE1 no hydrogen 2.867 N/A ARG 240.A NH2 GLU 397.A OE2 no hydrogen 3.517 N/A PHE 241.A N ASP 237.A O no hydrogen 2.955 N/A GLY 242.A N GLU 238.A O no hydrogen 2.968 N/A LEU 243.A N ASP 237.A O no hydrogen 3.130 N/A TYR 245.A OH ILE 249.A O no hydrogen 2.658 N/A TYR 250.A N ALA 210.A O no hydrogen 2.819 N/A TYR 250.A OH ASN 269.A OD1 no hydrogen 2.574 N/A MET 251.A N GLY 267.A O no hydrogen 3.020 N/A ILE 252.A N GLU 212.A O no hydrogen 2.940 N/A VAL 253.A N ASN 269.A O no hydrogen 2.897 N/A ALA 254.A N TYR 214.A O no hydrogen 2.906 N/A VAL 255.A N PHE 271.A O no hydrogen 2.855 N/A PHE 257.A N SER 112.A OG no hydrogen 3.094 N/A ASN 259.A ND2 ALA 105.A O no hydrogen 2.855 N/A ASN 259.A ND2 ASN 819.A OD1 no hydrogen 3.450 N/A MET 263.A N ILE 270.A O no hydrogen 2.820 N/A GLU 264.A N GLU 264.A OE1 no hydrogen 2.767 N/A ASN 265.A ND2 LEU 268.A O no hydrogen 3.242 N/A LYS 266.A NZ ASP 246.A OD1 no hydrogen 3.192 N/A LYS 266.A NZ ASP 246.A OD2 no hydrogen 2.742 N/A LYS 266.A NZ ASN 302.A OD1 no hydrogen 2.786 N/A LEU 268.A N ASN 265.A O no hydrogen 2.960 N/A ASN 269.A N MET 251.A O no hydrogen 2.832 N/A ASN 269.A ND2 ASN 265.A O no hydrogen 2.997 N/A ILE 270.A N MET 263.A O no hydrogen 3.224 N/A PHE 271.A N VAL 253.A O no hydrogen 2.883 N/A ASN 272.A N GLY 261.A O no hydrogen 2.810 N/A ASN 272.A ND2 MET 260.A O no hydrogen 3.163 N/A ASN 272.A ND2 ASN 780.A OD1 no hydrogen 2.871 N/A SER 273.A N VAL 255.A O no hydrogen 2.974 N/A SER 273.A OG VAL 255.A O no hydrogen 3.513 N/A SER 273.A OG ASP 256.A OD1 no hydrogen 2.721 N/A LYS 274.A N ASN 272.A OD1 no hydrogen 3.021 N/A LYS 274.A NZ ASN 780.A OD1 no hydrogen 3.543 N/A TYR 275.A N ASN 272.A O no hydrogen 2.824 N/A VAL 276.A N SER 273.A O no hydrogen 3.056 N/A LEU 277.A N SER 273.A O no hydrogen 3.033 N/A ALA 278.A N ARG 222.A O no hydrogen 3.042 N/A ARG 279.A N THR 282.A OG1 no hydrogen 3.038 N/A ARG 279.A NE ASP 281.A OD1 no hydrogen 2.825 N/A ARG 279.A NE ASP 281.A OD2 no hydrogen 3.393 N/A ARG 279.A NH1 ASP 281.A OD2 no hydrogen 2.897 N/A THR 282.A N ARG 279.A O no hydrogen 2.942 N/A THR 282.A OG1 ARG 279.A O no hydrogen 3.217 N/A ALA 283.A N ARG 279.A O no hydrogen 2.981 N/A THR 284.A N ASP 287.A OD2 no hydrogen 3.034 N/A ASP 285.A N THR 711.A OG1 no hydrogen 2.743 N/A LYS 286.A NZ ASP 290.A OD2 no hydrogen 3.500 N/A ASP 287.A N THR 284.A OG1 no hydrogen 3.129 N/A TYR 288.A N THR 284.A O no hydrogen 2.991 N/A LEU 289.A N ASP 285.A O no hydrogen 3.033 N/A ASP 290.A N LYS 286.A O no hydrogen 2.854 N/A ILE 291.A N ASP 287.A O no hydrogen 2.789 N/A GLU 292.A N TYR 288.A O no hydrogen 2.967 N/A ARG 293.A N LEU 289.A O no hydrogen 2.976 N/A ARG 293.A NE.A ASP 290.A OD1 no hydrogen 3.502 N/A ARG 293.A NE.B ASP 290.A OD1 no hydrogen 2.847 N/A ARG 293.A NH1.B ASN 340.A OD1 no hydrogen 3.445 N/A ARG 293.A NH2.A ASP 290.A OD1 no hydrogen 3.433 N/A ARG 293.A NH2.B ASP 290.A OD1 no hydrogen 3.105 N/A VAL 294.A N ASP 290.A O no hydrogen 2.903 N/A ILE 295.A N ILE 291.A O no hydrogen 2.900 N/A GLY 296.A N GLU 292.A O no hydrogen 2.939 N/A HIS 297.A N ARG 293.A O no hydrogen 2.791 N/A HIS 297.A ND1 ASP 327.A OD2 no hydrogen 2.792 N/A GLU 298.A N VAL 294.A O no hydrogen 2.989 N/A TYR 299.A N ILE 295.A O no hydrogen 3.061 N/A PHE 300.A N GLY 296.A O no hydrogen 2.803 N/A HIS 301.A N HIS 297.A O no hydrogen 3.113 N/A HIS 301.A ND1 THR 304.A O no hydrogen 2.799 N/A ASN 302.A N TYR 299.A O no hydrogen 2.934 N/A ASN 302.A ND2 ASP 246.A OD1 no hydrogen 2.891 N/A TRP 303.A N PHE 300.A O no hydrogen 3.345 N/A TRP 303.A NE1 GLU 244.A O no hydrogen 3.028 N/A THR 304.A N PHE 300.A O no hydrogen 3.204 N/A THR 304.A OG1 PHE 300.A O no hydrogen 2.980 N/A THR 304.A OG1 THR 323.A OG1 no hydrogen 2.740 N/A GLY 305.A N TRP 303.A O no hydrogen 3.000 N/A ASN 306.A N HIS 301.A O no hydrogen 2.868 N/A ASN 306.A ND2 GLU 264.A O no hydrogen 2.937 N/A ARG 307.A N ASN 302.A O no hydrogen 3.068 N/A ARG 307.A NE ASP 412.A OD1 no hydrogen 2.767 N/A ARG 307.A NH1 ASP 246.A OD2 no hydrogen 2.904 N/A ARG 307.A NH2 ASP 412.A OD1 no hydrogen 3.424 N/A ARG 307.A NH2 ASP 412.A OD2 no hydrogen 2.734 N/A VAL 308.A N TRP 303.A O no hydrogen 3.230 N/A THR 309.A N SER 414.A O no hydrogen 3.048 N/A THR 309.A OG1 TYR 185.A OH no hydrogen 2.878 N/A THR 309.A OG1 GLY 305.A O no hydrogen 3.233 N/A CYS 310.A N THR 309.A OG1 no hydrogen 2.735 N/A CYS 310.A SG GLN 315.A O no hydrogen 3.541 N/A ARG 311.A N ALA 416.A O no hydrogen 2.894 N/A ARG 311.A NE ASP 312.A OD2 no hydrogen 2.860 N/A ARG 311.A NH2 ASP 312.A OD2 no hydrogen 2.857 N/A PHE 314.A N ASP 312.A OD1 no hydrogen 2.951 N/A GLN 315.A N ASP 312.A O no hydrogen 3.042 N/A GLN 315.A NE2 ASP 312.A OD1 no hydrogen 3.304 N/A GLN 315.A NE2 ASP 312.A OD2 no hydrogen 3.190 N/A LEU 316.A N TRP 313.A O no hydrogen 3.175 N/A SER 317.A OG VAL 380.A O no hydrogen 2.870 N/A LEU 318.A N GLN 315.A O no hydrogen 2.808 N/A LYS 319.A N LEU 316.A O no hydrogen 3.112 N/A LYS 319.A NZ GLU 121.A OE1 no hydrogen 3.187 N/A LYS 319.A NZ GLU 121.A OE2 no hydrogen 2.667 N/A LYS 319.A NZ GLU 264.A OE2 no hydrogen 2.801 N/A LYS 319.A NZ GLU 320.A OE2 no hydrogen 2.804 N/A GLU 320.A N LEU 316.A O no hydrogen 2.885 N/A GLY 321.A N SER 317.A O no hydrogen 2.786 N/A THR 323.A N LYS 319.A O no hydrogen 2.950 N/A THR 323.A OG1 HIS 301.A ND1 no hydrogen 3.132 N/A THR 323.A OG1 THR 304.A OG1 no hydrogen 2.740 N/A THR 323.A OG1 LYS 319.A O no hydrogen 2.640 N/A VAL 324.A N GLU 320.A O no hydrogen 2.871 N/A PHE 325.A N GLY 321.A O no hydrogen 2.971 N/A ARG 326.A N LEU 322.A O no hydrogen 2.940 N/A ARG 326.A NE THR 304.A OG1 no hydrogen 3.076 N/A ARG 326.A NH1 ASP 237.A OD1 no hydrogen 2.766 N/A ARG 326.A NH2 ASP 237.A OD1 no hydrogen 3.506 N/A ARG 326.A NH2 ASP 237.A OD2 no hydrogen 2.904 N/A ARG 326.A NH2 PHE 300.A O no hydrogen 2.863 N/A ASP 327.A N THR 323.A O no hydrogen 2.849 N/A GLN 328.A N VAL 324.A O no hydrogen 2.835 N/A GLU 329.A N PHE 325.A O no hydrogen 2.926 N/A PHE 330.A N ARG 326.A O no hydrogen 2.985 N/A SER 331.A N ASP 327.A O no hydrogen 2.945 N/A SER 331.A OG ASP 327.A O no hydrogen 3.203 N/A SER 332.A N GLN 328.A O no hydrogen 2.872 N/A SER 332.A OG GLN 328.A O no hydrogen 2.658 N/A ASP 333.A N GLU 329.A O no hydrogen 2.831 N/A LEU 334.A N PHE 330.A O no hydrogen 3.003 N/A GLY 335.A N SER 331.A O no hydrogen 2.810 N/A ARG 337.A NH1 GLU 329.A OE1 no hydrogen 3.562 N/A ARG 337.A NH1 GLU 329.A OE2 no hydrogen 2.939 N/A ARG 337.A NH2 GLU 329.A OE1 no hydrogen 2.972 N/A ARG 337.A NH2 ASP 333.A OD1 no hydrogen 2.887 N/A VAL 339.A N SER 336.A OG no hydrogen 3.108 N/A ASN 340.A N SER 336.A O no hydrogen 2.983 N/A ASN 340.A ND2 SER 336.A O no hydrogen 3.009 N/A ARG 341.A N ARG 337.A O no hydrogen 2.873 N/A ARG 341.A NE GLU 535.A O no hydrogen 3.035 N/A ARG 341.A NH1 GLU 386.A OE1 no hydrogen 3.478 N/A ARG 341.A NH1 GLU 386.A OE2 no hydrogen 2.917 N/A ARG 341.A NH2 GLU 386.A OE1 no hydrogen 2.840 N/A ARG 341.A NH2 GLU 535.A O no hydrogen 3.008 N/A ARG 341.A NH2 PHE 536.A O no hydrogen 2.936 N/A ILE 342.A N ALA 338.A O no hydrogen 2.936 N/A ASN 343.A N VAL 339.A O no hydrogen 2.992 N/A ASN 343.A ND2 VAL 339.A O no hydrogen 2.966 N/A ASN 343.A ND2 GLU 615.A OE2 no hydrogen 3.059 N/A ASN 344.A N ASN 340.A O no hydrogen 2.995 N/A VAL 345.A N ARG 341.A O no hydrogen 2.966 N/A ARG 346.A N ILE 342.A O no hydrogen 2.887 N/A ARG 346.A NE GLU 615.A OE1 no hydrogen 3.131 N/A ARG 346.A NH1 GLU 624.A OE1 no hydrogen 3.226 N/A ARG 346.A NH1 GLU 624.A OE2 no hydrogen 3.066 N/A ARG 346.A NH2 GLU 615.A OE1 no hydrogen 3.025 N/A ARG 346.A NH2 THR 618.A O no hydrogen 3.249 N/A THR 347.A N ASN 343.A O no hydrogen 3.099 N/A THR 347.A OG1 ASN 343.A O no hydrogen 3.254 N/A MET 348.A N ASN 344.A O no hydrogen 2.961 N/A ARG 349.A N VAL 345.A O no hydrogen 2.851 N/A ARG 349.A NH1 ASP 566.A OD1 no hydrogen 2.981 N/A ARG 349.A NH2 ASP 566.A OD1 no hydrogen 2.895 N/A GLY 350.A N ARG 346.A O no hydrogen 2.910 N/A LEU 351.A N THR 347.A O no hydrogen 3.026 N/A GLN 352.A N THR 347.A O no hydrogen 3.114 N/A GLN 352.A NE2 ASP 356.A OD2 no hydrogen 3.157 N/A GLN 352.A NE2 THR 379.A OG1 no hydrogen 2.879 N/A PHE 353.A N MET 348.A O no hydrogen 2.922 N/A GLU 355.A N LEU 351.A O no hydrogen 3.242 N/A ASP 356.A N GLN 352.A O no hydrogen 2.971 N/A ALA 357.A N ALA 354.A O no hydrogen 3.203 N/A SER 358.A N GLU 355.A O no hydrogen 2.938 N/A SER 358.A OG GLU 355.A O no hydrogen 2.687 N/A MET 360.A N SER 358.A OG no hydrogen 3.091 N/A ALA 361.A N SER 358.A O no hydrogen 3.089 N/A HIS 362.A ND1 MET 360.A O no hydrogen 2.730 N/A HIS 362.A NE2 THR 377.A OG1 no hydrogen 2.858 N/A ARG 365.A N TYR 440.A O no hydrogen 3.249 N/A VAL 369.A N LYS 8.A O no hydrogen 2.926 N/A ILE 370.A N GLU 863.A OE2 no hydrogen 2.805 N/A GLU 371.A N GLU 863.A OE1 no hydrogen 2.854 N/A ASN 373.A N GLU 371.A OE2 no hydrogen 2.973 N/A ASN 373.A ND2 GLU 107.A OE2 no hydrogen 3.359 N/A ASN 374.A N GLU 371.A O no hydrogen 2.846 N/A ASN 374.A ND2 ASP 860.A O no hydrogen 2.999 N/A ASN 374.A ND2 GLU 863.A OE1 no hydrogen 2.940 N/A PHE 375.A N MET 372.A O no hydrogen 2.942 N/A TYR 376.A OH GLU 121.A OE2 no hydrogen 2.708 N/A THR 377.A OG1 HIS 362.A NE2 no hydrogen 2.858 N/A THR 379.A N GLU 355.A OE1 no hydrogen 2.826 N/A THR 379.A OG1 GLU 355.A OE1 no hydrogen 2.532 N/A VAL 380.A N THR 377.A OG1 no hydrogen 2.995 N/A TYR 381.A N THR 377.A O no hydrogen 2.885 N/A GLU 382.A N LEU 378.A O no hydrogen 2.794 N/A LYS 383.A N LEU 378.A O no hydrogen 3.163 N/A LYS 383.A NZ ASP 356.A OD2 no hydrogen 3.373 N/A LYS 383.A NZ GLY 444.A O no hydrogen 3.212 N/A GLY 384.A N THR 379.A O no hydrogen 2.979 N/A ALA 385.A N TYR 381.A O no hydrogen 2.966 N/A GLU 386.A N GLU 382.A O no hydrogen 3.046 N/A VAL 387.A N LYS 383.A O no hydrogen 2.940 N/A ILE 388.A N GLY 384.A O no hydrogen 3.134 N/A ARG 389.A N ALA 385.A O no hydrogen 2.781 N/A ARG 389.A NH1 GLU 329.A OE2 no hydrogen 2.919 N/A ARG 389.A NH2 GLN 328.A OE1 no hydrogen 3.030 N/A ARG 389.A NH2 GLU 329.A OE2 no hydrogen 3.061 N/A MET 390.A N GLU 386.A O no hydrogen 2.835 N/A ILE 391.A N VAL 387.A O no hydrogen 3.146 N/A HIS 392.A N ILE 388.A O no hydrogen 2.944 N/A HIS 392.A NE2 GLU 397.A OE1 no hydrogen 2.747 N/A THR 393.A N ARG 389.A O no hydrogen 2.790 N/A THR 393.A OG1 ARG 389.A O no hydrogen 3.136 N/A LEU 394.A N MET 390.A O no hydrogen 2.847 N/A LEU 395.A N ILE 391.A O no hydrogen 2.874 N/A GLY 396.A N HIS 392.A O no hydrogen 2.827 N/A ASN 399.A ND2 LEU 395.A O no hydrogen 3.174 N/A PHE 400.A N GLY 396.A O no hydrogen 2.845 N/A GLN 401.A N GLU 397.A O no hydrogen 2.806 N/A GLN 401.A NE2 GLU 397.A OE2 no hydrogen 3.079 N/A LYS 402.A N GLU 398.A O no hydrogen 2.984 N/A LYS 402.A NZ ASN 399.A OD1 no hydrogen 3.449 N/A GLY 403.A N ASN 399.A O no hydrogen 2.954 N/A MET 404.A N PHE 400.A O no hydrogen 2.923 N/A GLN 405.A N GLN 401.A O no hydrogen 2.979 N/A LEU 406.A N LYS 402.A O no hydrogen 2.970 N/A TYR 407.A N GLY 403.A O no hydrogen 2.895 N/A PHE 408.A N MET 404.A O no hydrogen 3.020 N/A GLU 409.A N GLN 405.A O no hydrogen 2.943 N/A ARG 410.A N LEU 406.A O no hydrogen 2.837 N/A ARG 410.A NH1 ASP 427.A OD2 no hydrogen 3.028 N/A ARG 410.A NH2 ASP 427.A OD2 no hydrogen 2.921 N/A HIS 411.A N TYR 407.A O no hydrogen 2.824 N/A ASP 412.A N PHE 408.A O no hydrogen 2.831 N/A GLY 413.A N ARG 307.A O no hydrogen 2.852 N/A SER 414.A N HIS 411.A O no hydrogen 3.011 N/A SER 414.A OG HIS 411.A O no hydrogen 2.764 N/A ALA 416.A N THR 309.A O no hydrogen 2.869 N/A THR 417.A N ASP 420.A OD2 no hydrogen 2.949 N/A CYS 418.A N GLN 315.A OE1 no hydrogen 2.935 N/A CYS 418.A SG GLN 315.A OE1 no hydrogen 3.687 N/A ASP 420.A N THR 417.A OG1 no hydrogen 3.047 N/A PHE 421.A N THR 417.A O no hydrogen 3.253 N/A VAL 422.A N CYS 418.A O no hydrogen 3.060 N/A GLN 423.A N ASP 419.A O no hydrogen 2.955 N/A ALA 424.A N ASP 420.A O no hydrogen 3.036 N/A MET 425.A N PHE 421.A O no hydrogen 3.099 N/A GLU 426.A N VAL 422.A O no hydrogen 2.974 N/A ASP 427.A N GLN 423.A O no hydrogen 2.884 N/A ALA 428.A N ALA 424.A O no hydrogen 2.907 N/A SER 429.A N MET 425.A O no hydrogen 3.067 N/A SER 429.A OG MET 425.A O no hydrogen 2.711 N/A VAL 431.A N SER 429.A OG no hydrogen 2.959 N/A LEU 433.A N GLU 426.A OE1 no hydrogen 2.840 N/A SER 434.A N ASP 432.A OD1 no hydrogen 3.065 N/A SER 434.A OG ASP 432.A OD1 no hydrogen 3.129 N/A HIS 435.A NE2 PRO 480.A O no hydrogen 2.825 N/A ARG 437.A N LEU 433.A O no hydrogen 3.100 N/A ARG 437.A NE.A LEU 433.A O no hydrogen 3.464 N/A ARG 437.A NE.B ASP 419.A OD1 no hydrogen 2.769 N/A ARG 437.A NH1.A GLU 426.A OE2 no hydrogen 2.593 N/A ARG 437.A NH1.B GLU 426.A OE1 no hydrogen 2.888 N/A ARG 437.A NH1.B GLU 426.A OE2 no hydrogen 3.495 N/A ARG 437.A NH2.A ASP 419.A OD1 no hydrogen 2.907 N/A ARG 437.A NH2.B GLU 426.A OE2 no hydrogen 2.976 N/A ARG 438.A N HIS 435.A O no hydrogen 2.942 N/A ARG 438.A NH1 PRO 480.A O no hydrogen 2.826 N/A TRP 439.A N PHE 436.A O no hydrogen 2.948 N/A TRP 439.A NE1 HIS 482.A O no hydrogen 2.826 N/A TYR 440.A N ARG 437.A O no hydrogen 2.941 N/A SER 441.A N ARG 438.A O no hydrogen 3.188 N/A GLN 442.A N ARG 438.A O no hydrogen 3.135 N/A GLN 442.A NE2 GLN 479.A O no hydrogen 2.965 N/A SER 443.A N GLN 475.A OE1 no hydrogen 3.126 N/A SER 443.A OG THR 472.A OG1 no hydrogen 2.907 N/A SER 443.A OG ASP 474.A OD1 no hydrogen 2.851 N/A SER 443.A OG ASP 474.A OD2 no hydrogen 2.922 N/A SER 443.A OG GLN 475.A OE1 no hydrogen 3.314 N/A GLY 444.A N ASP 356.A OD1 no hydrogen 2.915 N/A ILE 447.A N ARG 468.A O no hydrogen 2.839 N/A VAL 448.A N LYS 541.A O no hydrogen 2.837 N/A THR 449.A N SER 466.A O no hydrogen 2.819 N/A VAL 450.A N GLU 543.A O no hydrogen 2.960 N/A LYS 451.A N THR 464.A O no hydrogen 2.867 N/A ASP 453.A N THR 462.A O no hydrogen 2.966 N/A TYR 454.A OH VAL 524.A O no hydrogen 2.677 N/A ASN 455.A N GLN 460.A O no hydrogen 2.932 N/A THR 458.A N ASN 455.A OD1 no hydrogen 3.152 N/A THR 458.A OG1 GLN 460.A OE1 no hydrogen 2.918 N/A GLN 460.A N ASN 455.A O no hydrogen 3.314 N/A GLN 460.A NE2 ASP 522.A OD1.A no hydrogen 3.027 N/A TYR 461.A N PHE 521.A O no hydrogen 2.961 N/A TYR 461.A OH ASP 452.A OD2 no hydrogen 2.661 N/A THR 462.A N ASP 453.A O no hydrogen 2.886 N/A LEU 463.A N PHE 519.A O no hydrogen 2.780 N/A THR 464.A N LYS 451.A O no hydrogen 2.774 N/A THR 464.A OG1 THR 518.A OG1.A no hydrogen 3.338 N/A ILE 465.A N GLN 517.A O no hydrogen 2.943 N/A SER 466.A N THR 449.A O no hydrogen 2.893 N/A GLN 467.A N ALA 515.A O no hydrogen 2.921 N/A GLN 467.A NE2 LEU 481.A O no hydrogen 2.867 N/A GLN 467.A NE2 GLN 514.A O no hydrogen 3.119 N/A ARG 468.A N ILE 447.A O no hydrogen 3.017 N/A THR 472.A N GLN 475.A O no hydrogen 2.986 N/A THR 472.A OG1 SER 443.A OG no hydrogen 2.907 N/A THR 472.A OG1 ASP 474.A OD1 no hydrogen 2.549 N/A GLN 475.A N THR 472.A O no hydrogen 3.238 N/A GLN 475.A NE2 SER 441.A O no hydrogen 2.834 N/A LYS 478.A NZ SER 443.A O no hydrogen 2.793 N/A LYS 478.A NZ THR 472.A OG1 no hydrogen 2.884 N/A LYS 478.A NZ GLN 475.A OE1 no hydrogen 2.939 N/A GLN 479.A N GLN 442.A OE1 no hydrogen 2.933 N/A LEU 481.A N GLN 467.A OE1 no hydrogen 2.929 N/A HIS 482.A NE2 ASN 511.A OD1 no hydrogen 2.821 N/A ILE 483.A N VAL 512.A O no hydrogen 2.848 N/A PHE 485.A N LEU 510.A O no hydrogen 2.822 N/A ALA 486.A N SER 537.A OG no hydrogen 3.013 N/A ILE 487.A N SER 508.A O no hydrogen 2.993 N/A GLU 488.A N ALA 531.A O no hydrogen 3.080 N/A TYR 490.A N VAL 529.A O no hydrogen 2.904 N/A ASP 491.A N LYS 495.A O no hydrogen 2.847 N/A GLU 493.A N ASP 491.A OD1 no hydrogen 2.876 N/A GLY 494.A N ASP 491.A O no hydrogen 3.022 N/A LYS 495.A N ASP 491.A OD1 no hydrogen 2.988 N/A LYS 495.A NZ GLU 493.A OE2 no hydrogen 3.567 N/A ILE 497.A N LEU 489.A O no hydrogen 2.855 N/A LYS 501.A N HIS 504.A O no hydrogen 3.063 N/A GLY 502.A N ASP 522.A OD2.A no hydrogen 2.845 N/A GLY 502.A N ASP 522.A OD2.B no hydrogen 2.799 N/A HIS 504.A N LYS 501.A O no hydrogen 3.176 N/A VAL 506.A N LEU 499.A O no hydrogen 3.289 N/A VAL 509.A N ASN 507.A OD1 no hydrogen 2.980 N/A LEU 510.A N PHE 485.A O no hydrogen 2.833 N/A VAL 512.A N ILE 483.A O no hydrogen 2.974 N/A GLN 514.A N GLN 517.A OE1 no hydrogen 2.915 N/A GLN 517.A N ILE 465.A O no hydrogen 3.023 N/A GLN 517.A NE2 ILE 465.A O no hydrogen 2.985 N/A GLN 517.A NE2 GLN 514.A O no hydrogen 2.944 N/A THR 518.A OG1.A THR 464.A OG1 no hydrogen 3.338 N/A PHE 519.A N LEU 463.A O no hydrogen 2.839 N/A PHE 521.A N TYR 461.A O no hydrogen 2.870 N/A ASP 522.A N GLN 500.A O no hydrogen 2.994 N/A ASN 523.A ND2 GLN 500.A OE1 no hydrogen 3.122 N/A ASN 523.A ND2 ASP 522.A OD1.B no hydrogen 3.216 N/A VAL 524.A N GLU 459.A O no hydrogen 2.943 N/A TYR 525.A OH ASP 491.A OD2 no hydrogen 2.521 N/A VAL 529.A N TYR 490.A O no hydrogen 2.940 N/A ALA 531.A N GLU 488.A O no hydrogen 2.852 N/A CYS 534.A N ALA 486.A O no hydrogen 2.992 N/A CYS 534.A SG ALA 486.A O no hydrogen 3.862 N/A CYS 534.A SG ALA 531.A O no hydrogen 3.566 N/A PHE 536.A N LEU 533.A O no hydrogen 2.953 N/A SER 537.A OG PRO 484.A O no hydrogen 2.749 N/A VAL 540.A N ALA 538.A O no hydrogen 2.843 N/A LYS 541.A N PRO 446.A O no hydrogen 2.873 N/A LYS 541.A NZ GLU 627.A OE2.A no hydrogen 3.283 N/A LYS 541.A NZ GLU 627.A OE2.B no hydrogen 3.172 N/A GLU 543.A N VAL 448.A O no hydrogen 2.703 N/A TYR 544.A OH ASP 452.A OD2 no hydrogen 2.624 N/A SER 547.A N GLN 550.A OE1 no hydrogen 2.921 N/A GLN 550.A N SER 547.A OG no hydrogen 3.102 N/A GLN 550.A NE2 TYR 544.A OH no hydrogen 3.378 N/A LEU 551.A N SER 547.A O no hydrogen 3.277 N/A THR 552.A N ASP 548.A O no hydrogen 2.905 N/A THR 552.A OG1 ASP 548.A O no hydrogen 3.411 N/A THR 552.A OG1 GLN 549.A O no hydrogen 3.377 N/A PHE 553.A N GLN 549.A O no hydrogen 2.984 N/A LEU 554.A N GLN 550.A O no hydrogen 2.901 N/A MET 555.A N LEU 551.A O no hydrogen 2.904 N/A ARG 556.A N THR 552.A O no hydrogen 3.291 N/A ARG 556.A N PHE 553.A O no hydrogen 3.169 N/A ARG 556.A NH1 THR 552.A OG1 no hydrogen 3.332 N/A HIS 557.A N PHE 553.A O no hydrogen 2.820 N/A ALA 558.A N LEU 554.A O no hydrogen 2.913 N/A ARG 559.A N TYR 490.A OH no hydrogen 2.934 N/A SER 563.A N ASN 560.A O no hydrogen 3.095 N/A SER 563.A N ASN 560.A OD1 no hydrogen 3.227 N/A SER 563.A OG ASN 560.A OD1 no hydrogen 2.575 N/A ARG 564.A N ASN 560.A O no hydrogen 3.382 N/A ARG 564.A NE MET 555.A O no hydrogen 2.897 N/A ARG 564.A NH2 MET 555.A O no hydrogen 3.088 N/A TRP 565.A N ASP 561.A O no hydrogen 3.244 N/A ASP 566.A N PHE 562.A O no hydrogen 2.833 N/A ALA 567.A N SER 563.A O no hydrogen 2.871 N/A ALA 568.A N ARG 564.A O no hydrogen 3.154 N/A GLN 569.A N TRP 565.A O no hydrogen 3.030 N/A GLN 569.A NE2 TRP 565.A O no hydrogen 3.339 N/A SER 570.A N ASP 566.A O no hydrogen 3.021 N/A SER 570.A OG ASP 566.A O no hydrogen 3.561 N/A LEU 571.A N ALA 567.A O no hydrogen 2.883 N/A LEU 572.A N ALA 568.A O no hydrogen 2.966 N/A ALA 573.A N GLN 569.A O no hydrogen 2.954 N/A TYR 575.A N LEU 572.A O no hydrogen 2.961 N/A TYR 575.A OH ASP 548.A OD2 no hydrogen 2.560 N/A ILE 576.A N LEU 572.A O no hydrogen 2.798 N/A LYS 577.A N ALA 573.A O no hydrogen 2.968 N/A LEU 578.A N THR 574.A O no hydrogen 3.049 N/A ASN 579.A N TYR 575.A O no hydrogen 2.992 N/A ASN 579.A ND2 TYR 575.A O no hydrogen 2.924 N/A ASN 579.A ND2 SER 590.A O no hydrogen 2.818 N/A VAL 580.A N ILE 576.A O no hydrogen 2.957 N/A ALA 581.A N LYS 577.A O no hydrogen 3.140 N/A ARG 582.A N LEU 578.A O no hydrogen 3.006 N/A ARG 582.A NE PRO 588.A O no hydrogen 2.816 N/A ARG 582.A NH2 PRO 588.A O no hydrogen 2.803 N/A HIS 583.A N ASN 579.A O no hydrogen 2.855 N/A HIS 583.A NE2 GLU 639.A OE1 no hydrogen 2.635 N/A GLN 584.A N VAL 580.A O no hydrogen 3.191 N/A GLN 584.A NE2 ASP 633.A OD2 no hydrogen 3.038 N/A GLN 585.A N ARG 582.A O no hydrogen 2.943 N/A GLY 586.A N HIS 583.A O no hydrogen 3.049 N/A GLN 587.A N ARG 582.A O no hydrogen 2.984 N/A SER 590.A N ASN 579.A OD1 no hydrogen 2.815 N/A HIS 594.A NE2 ASP 548.A OD2 no hydrogen 2.913 N/A VAL 595.A N PRO 592.A O no hydrogen 2.938 N/A ALA 596.A N PRO 592.A O no hydrogen 3.411 N/A ASP 597.A N VAL 593.A O no hydrogen 2.941 N/A ALA 598.A N HIS 594.A O no hydrogen 3.136 N/A ALA 598.A N VAL 595.A O no hydrogen 3.100 N/A PHE 599.A N VAL 595.A O no hydrogen 3.440 N/A ARG 600.A N ALA 596.A O no hydrogen 2.899 N/A ARG 600.A NE ASP 597.A OD1 no hydrogen 3.331 N/A ARG 600.A NH1 GLU 651.A O no hydrogen 3.217 N/A ARG 600.A NH1 GLU 655.A OE2 no hydrogen 2.956 N/A ARG 600.A NH2 ASP 597.A OD1 no hydrogen 3.189 N/A ALA 601.A N ASP 597.A O no hydrogen 2.864 N/A VAL 602.A N ALA 598.A O no hydrogen 3.309 N/A LEU 603.A N PHE 599.A O no hydrogen 3.096 N/A LEU 604.A N ARG 600.A O no hydrogen 3.079 N/A ASP 605.A N VAL 602.A O no hydrogen 3.292 N/A LYS 607.A N ASP 605.A OD1 no hydrogen 3.137 N/A ALA 611.A N ASP 609.A OD1 no hydrogen 2.899 N/A ALA 613.A N ASP 609.A O no hydrogen 3.030 N/A ALA 614.A N PRO 610.A O no hydrogen 2.897 N/A GLU 615.A N ALA 611.A O no hydrogen 3.322 N/A ILE 616.A N LEU 612.A O no hydrogen 2.977 N/A LEU 617.A N ALA 613.A O no hydrogen 3.062 N/A THR 618.A N GLU 615.A O no hydrogen 3.177 N/A THR 618.A OG1 ALA 614.A O no hydrogen 2.689 N/A SER 621.A N GLU 624.A OE2 no hydrogen 2.960 N/A SER 621.A OG GLU 624.A OE2 no hydrogen 3.562 N/A GLU 624.A N SER 621.A OG no hydrogen 3.058 N/A MET 625.A N.A SER 621.A O no hydrogen 2.909 N/A MET 625.A N.B SER 621.A O no hydrogen 2.910 N/A ALA 626.A N VAL 622.A O no hydrogen 2.891 N/A GLU 627.A N.B GLU 624.A O no hydrogen 3.426 N/A LEU 628.A N MET 625.A O.A no hydrogen 3.085 N/A LEU 628.A N MET 625.A O.B no hydrogen 3.166 N/A PHE 629.A N ALA 626.A O no hydrogen 3.221 N/A ILE 632.A N ARG 835.A O no hydrogen 2.760 N/A ALA 636.A N ASP 633.A OD1 no hydrogen 3.099 N/A ILE 637.A N ASP 633.A O no hydrogen 3.058 N/A ALA 638.A N PRO 634.A O no hydrogen 3.210 N/A GLU 639.A N ILE 635.A O no hydrogen 3.071 N/A VAL 640.A N ALA 636.A O no hydrogen 2.770 N/A ARG 641.A N ILE 637.A O no hydrogen 2.957 N/A ARG 641.A NE PRO 620.A O no hydrogen 2.750 N/A ARG 641.A NH2 LEU 619.A O no hydrogen 2.826 N/A GLU 642.A N ALA 638.A O no hydrogen 3.149 N/A ALA 643.A N GLU 639.A O no hydrogen 2.932 N/A LEU 644.A N VAL 640.A O no hydrogen 2.849 N/A THR 645.A N ARG 641.A O no hydrogen 3.057 N/A THR 645.A OG1 ARG 641.A O no hydrogen 2.702 N/A ARG 646.A N GLU 642.A O no hydrogen 2.886 N/A ARG 646.A NE GLU 642.A OE2 no hydrogen 3.426 N/A ARG 646.A NH2 GLU 642.A OE2 no hydrogen 3.286 N/A THR 647.A N ALA 643.A O no hydrogen 2.914 N/A THR 647.A OG1 ALA 643.A O no hydrogen 3.011 N/A LEU 648.A N LEU 644.A O no hydrogen 2.969 N/A ALA 649.A N THR 645.A O no hydrogen 2.961 N/A THR 650.A N ARG 646.A O no hydrogen 3.054 N/A THR 650.A OG1 ARG 646.A O no hydrogen 3.226 N/A GLU 651.A N THR 647.A O no hydrogen 3.057 N/A LEU 652.A N LEU 648.A O no hydrogen 2.846 N/A ALA 653.A N THR 650.A O no hydrogen 3.467 N/A GLU 655.A N GLU 655.A OE1 no hydrogen 2.867 N/A LEU 656.A N LEU 652.A O no hydrogen 2.892 N/A LEU 657.A N ALA 653.A O no hydrogen 3.093 N/A ALA 658.A N ASP 654.A O no hydrogen 3.032 N/A ILE 659.A N GLU 655.A O no hydrogen 2.964 N/A TYR 660.A N LEU 656.A O no hydrogen 2.800 N/A TYR 660.A OH GLN 703.A OE1 no hydrogen 2.612 N/A ASN 661.A N LEU 657.A O no hydrogen 2.871 N/A ALA 662.A N ALA 658.A O no hydrogen 2.930 N/A ASN 663.A N ILE 659.A O no hydrogen 3.324 N/A ASN 663.A ND2 ILE 659.A O no hydrogen 2.943 N/A TYR 664.A N ASN 661.A O no hydrogen 3.293 N/A GLN 665.A NE2 ASP 674.A O no hydrogen 3.178 N/A TYR 668.A OH ASP 285.A OD1 no hydrogen 2.572 N/A ARG 669.A NH1 ASP 674.A OD1 no hydrogen 3.514 N/A ARG 669.A NH1 ASP 674.A OD2 no hydrogen 2.689 N/A ILE 675.A N GLU 671.A O no hydrogen 2.766 N/A ALA 676.A N HIS 672.A O no hydrogen 2.894 N/A LYS 677.A N GLU 673.A O no hydrogen 3.063 N/A ARG 678.A N ASP 674.A O no hydrogen 2.992 N/A ARG 678.A NE ASP 285.A OD2 no hydrogen 2.767 N/A ARG 678.A NH2 ASP 285.A OD1 no hydrogen 3.020 N/A ARG 678.A NH2 ASP 285.A OD2 no hydrogen 3.365 N/A ARG 678.A NH2 ARG 669.A O no hydrogen 3.009 N/A THR 679.A N ILE 675.A O no hydrogen 2.942 N/A THR 679.A OG1 ILE 675.A O no hydrogen 2.857 N/A LEU 680.A N ALA 676.A O no hydrogen 3.040 N/A ARG 681.A N LYS 677.A O no hydrogen 2.947 N/A ARG 681.A NE TYR 660.A O no hydrogen 3.055 N/A ASN 682.A N ARG 678.A O no hydrogen 2.881 N/A ASN 682.A ND2 ASP 712.A OD1 no hydrogen 3.144 N/A ALA 683.A N THR 679.A O no hydrogen 2.961 N/A CYS 684.A N LEU 680.A O no hydrogen 2.943 N/A CYS 684.A SG LEU 680.A O no hydrogen 3.430 N/A LEU 685.A N ARG 681.A O no hydrogen 2.904 N/A ARG 686.A N ASN 682.A O no hydrogen 3.000 N/A ARG 686.A NH1 SER 718.A OG no hydrogen 2.968 N/A PHE 687.A N ALA 683.A O no hydrogen 3.476 N/A LEU 688.A N CYS 684.A O no hydrogen 2.931 N/A ALA 689.A N LEU 685.A O no hydrogen 2.831 N/A PHE 690.A N PHE 687.A O no hydrogen 2.840 N/A GLY 691.A N LEU 688.A O no hydrogen 2.977 N/A HIS 694.A N GLU 692.A OE2 no hydrogen 3.001 N/A ALA 696.A N GLU 692.A O no hydrogen 3.019 N/A ASP 697.A N THR 693.A O no hydrogen 2.912 N/A VAL 698.A N HIS 694.A O no hydrogen 3.207 N/A LEU 699.A N LEU 695.A O no hydrogen 2.915 N/A VAL 700.A N ALA 696.A O no hydrogen 2.979 N/A SER 701.A N ASP 697.A O no hydrogen 3.024 N/A SER 701.A OG ASP 697.A O no hydrogen 2.853 N/A SER 701.A OG VAL 698.A O no hydrogen 3.297 N/A LYS 702.A N VAL 698.A O no hydrogen 3.169 N/A GLN 703.A N LEU 699.A O no hydrogen 2.934 N/A GLN 703.A NE2 ASN 682.A OD1 no hydrogen 2.847 N/A GLN 703.A NE2 ASP 712.A O no hydrogen 2.997 N/A PHE 704.A N VAL 700.A O no hydrogen 3.006 N/A HIS 705.A N SER 701.A O no hydrogen 2.916 N/A HIS 705.A NE2 GLU 734.A OE2 no hydrogen 2.843 N/A GLU 706.A N LYS 702.A O no hydrogen 2.844 N/A ASN 709.A ND2 ASN 708.A OD1 no hydrogen 3.009 N/A ASN 709.A ND2 ASP 712.A OD2 no hydrogen 2.926 N/A MET 710.A N THR 280.A O no hydrogen 2.892 N/A ASP 712.A N ASN 709.A OD1 no hydrogen 2.780 N/A ALA 713.A N ASN 709.A O no hydrogen 3.139 N/A LEU 714.A N MET 710.A O no hydrogen 2.835 N/A ALA 715.A N THR 711.A O no hydrogen 3.039 N/A ALA 716.A N ASP 712.A O no hydrogen 3.245 N/A LEU 717.A N ALA 713.A O no hydrogen 2.902 N/A SER 718.A N LEU 714.A O no hydrogen 2.801 N/A ALA 719.A N ALA 715.A O no hydrogen 3.036 N/A ALA 720.A N ALA 716.A O no hydrogen 2.992 N/A VAL 721.A N LEU 717.A O no hydrogen 3.109 N/A ALA 722.A N SER 718.A O no hydrogen 2.955 N/A ALA 723.A N ALA 719.A O no hydrogen 3.000 N/A GLN 724.A N VAL 721.A O no hydrogen 3.262 N/A LEU 725.A N ALA 720.A O no hydrogen 3.119 N/A CYS 727.A N ASP 697.A OD1 no hydrogen 2.828 N/A CYS 727.A SG ASP 697.A OD1 no hydrogen 3.188 N/A ARG 728.A N LEU 725.A O no hydrogen 2.994 N/A ARG 728.A NE ASP 729.A OD1 no hydrogen 2.965 N/A ARG 728.A NH2 ASP 729.A OD1 no hydrogen 2.961 N/A LEU 731.A N CYS 727.A O no hydrogen 3.001 N/A MET 732.A N ARG 728.A O no hydrogen 2.918 N/A GLN 733.A N ASP 729.A O no hydrogen 2.966 N/A GLN 733.A NE2 ASP 737.A OD1 no hydrogen 3.349 N/A GLN 733.A NE2 ASP 737.A OD2 no hydrogen 3.315 N/A GLU 734.A N ALA 730.A O no hydrogen 3.004 N/A TYR 735.A N LEU 731.A O no hydrogen 2.973 N/A TYR 735.A OH VAL 745.A O no hydrogen 2.660 N/A ASP 736.A N MET 732.A O no hydrogen 3.069 N/A ASP 737.A N GLN 733.A O no hydrogen 2.831 N/A LYS 738.A N GLU 734.A O no hydrogen 2.901 N/A TRP 739.A N TYR 735.A O no hydrogen 2.849 N/A TRP 739.A N ASP 736.A O no hydrogen 3.235 N/A HIS 740.A N ASP 736.A O no hydrogen 2.916 N/A GLN 741.A NE2.B LYS 738.A O no hydrogen 2.926 N/A GLN 741.A NE2.B ASN 742.A OD1 no hydrogen 3.238 N/A ASN 742.A N TRP 739.A O no hydrogen 2.851 N/A MET 746.A N ASN 742.A O no hydrogen 2.855 N/A ASP 747.A N GLY 743.A O no hydrogen 3.047 N/A LYS 748.A NZ ASP 287.A OD1 no hydrogen 3.250 N/A LYS 748.A NZ ASP 287.A OD2 no hydrogen 2.693 N/A TRP 749.A NE1 MET 732.A O no hydrogen 2.782 N/A PHE 750.A N MET 746.A O no hydrogen 2.805 N/A ILE 751.A N ASP 747.A O no hydrogen 2.974 N/A LEU 752.A N LYS 748.A O no hydrogen 3.070 N/A GLN 753.A N TRP 749.A O no hydrogen 2.846 N/A ALA 754.A N PHE 750.A O no hydrogen 2.838 N/A THR 755.A N ILE 751.A O no hydrogen 2.958 N/A THR 755.A OG1 ILE 751.A O no hydrogen 2.708 N/A SER 756.A N GLN 753.A O no hydrogen 3.223 N/A ALA 758.A N SER 756.A OG no hydrogen 3.145 N/A VAL 761.A N ALA 758.A O no hydrogen 3.381 N/A THR 764.A N ASN 760.A O no hydrogen 3.073 N/A THR 764.A OG1 ASN 760.A O no hydrogen 3.286 N/A VAL 765.A N VAL 761.A O no hydrogen 2.841 N/A ARG 766.A N LEU 762.A O no hydrogen 2.901 N/A ARG 766.A NH1 GLU 810.A OE1 no hydrogen 3.016 N/A ARG 766.A NH1 GLU 810.A OE2 no hydrogen 3.180 N/A ARG 766.A NH2 GLU 810.A OE2 no hydrogen 2.856 N/A GLY 767.A N GLU 763.A O no hydrogen 3.084 N/A LEU 768.A N THR 764.A O no hydrogen 2.936 N/A LEU 769.A N ARG 766.A O no hydrogen 3.110 N/A GLN 770.A N GLY 767.A O no hydrogen 3.072 N/A HIS 771.A N LEU 768.A O no hydrogen 2.958 N/A HIS 771.A NE2 ASP 736.A OD2 no hydrogen 2.829 N/A ARG 772.A NE ASP 736.A OD1 no hydrogen 3.138 N/A ARG 772.A NH2 ASP 736.A OD1 no hydrogen 2.863 N/A ARG 772.A NH2 ASP 737.A OD1 no hydrogen 3.049 N/A SER 773.A N HIS 771.A ND1 no hydrogen 2.999 N/A SER 773.A OG HIS 740.A O no hydrogen 2.705 N/A PHE 774.A N HIS 771.A O no hydrogen 3.023 N/A THR 775.A OG1 SER 777.A OG no hydrogen 3.134 N/A SER 777.A N THR 775.A OG1 no hydrogen 3.086 N/A SER 777.A OG THR 775.A OG1 no hydrogen 3.134 N/A ASN 778.A N THR 775.A O no hydrogen 3.316 N/A ASN 778.A ND2 ASP 256.A O no hydrogen 3.179 N/A ASN 780.A ND2 ASN 272.A OD1 no hydrogen 2.880 N/A ARG 781.A N ASN 778.A OD1 no hydrogen 3.072 N/A ARG 781.A NE ASP 747.A OD1 no hydrogen 2.602 N/A ARG 781.A NH2 ASP 747.A OD1 no hydrogen 3.384 N/A ARG 781.A NH2 ASP 747.A OD2 no hydrogen 2.766 N/A ILE 782.A N ASN 778.A O no hydrogen 3.083 N/A ARG 783.A N PRO 779.A O no hydrogen 2.938 N/A SER 784.A N ASN 780.A O no hydrogen 3.006 N/A SER 784.A OG ASN 780.A O no hydrogen 2.983 N/A LEU 785.A N ARG 781.A O no hydrogen 3.058 N/A ILE 786.A N ILE 782.A O no hydrogen 2.883 N/A GLY 787.A N ILE 782.A O no hydrogen 3.148 N/A ALA 788.A N ARG 783.A O no hydrogen 2.996 N/A PHE 789.A N LEU 785.A O no hydrogen 3.256 N/A ALA 790.A N ILE 786.A O no hydrogen 3.127 N/A GLY 791.A N GLY 787.A O no hydrogen 2.862 N/A SER 792.A N ALA 788.A O no hydrogen 2.799 N/A ASN 793.A N PHE 789.A O no hydrogen 3.078 N/A ASN 793.A ND2 ALA 754.A O no hydrogen 2.880 N/A ASN 793.A ND2 SER 756.A O no hydrogen 3.041 N/A ALA 796.A N ASN 793.A OD1 no hydrogen 3.443 N/A PHE 797.A N ASN 793.A O no hydrogen 2.827 N/A HIS 798.A N PRO 794.A O no hydrogen 2.943 N/A HIS 798.A ND1 TYR 805.A OH no hydrogen 2.667 N/A ALA 799.A N ALA 796.A O no hydrogen 3.219 N/A GLY 802.A N ALA 799.A O no hydrogen 2.928 N/A SER 803.A N ASP 801.A OD1 no hydrogen 3.019 N/A SER 803.A OG ASP 801.A OD1 no hydrogen 2.748 N/A TYR 805.A OH HIS 798.A ND1 no hydrogen 2.667 N/A LEU 806.A N GLY 802.A O no hydrogen 3.132 N/A PHE 807.A N SER 803.A O no hydrogen 3.047 N/A LEU 808.A N GLY 804.A O no hydrogen 2.998 N/A VAL 809.A N TYR 805.A O no hydrogen 2.969 N/A GLU 810.A N LEU 806.A O no hydrogen 2.982 N/A MET 811.A N PHE 807.A O no hydrogen 2.958 N/A LEU 812.A N LEU 808.A O no hydrogen 2.751 N/A THR 813.A N VAL 809.A O no hydrogen 2.862 N/A THR 813.A OG1 VAL 809.A O no hydrogen 2.748 N/A ASP 814.A N GLU 810.A O no hydrogen 3.436 N/A LEU 815.A N MET 811.A O no hydrogen 2.969 N/A ASN 816.A N LEU 812.A O no hydrogen 2.811 N/A ASN 816.A ND2 ASN 856.A O no hydrogen 2.955 N/A SER 817.A N ASP 814.A O no hydrogen 3.157 N/A ARG 818.A N ASP 814.A O no hydrogen 3.194 N/A ARG 818.A NE ASP 814.A OD1 no hydrogen 2.840 N/A ARG 818.A NH2 ASP 814.A OD1 no hydrogen 3.493 N/A ARG 818.A NH2 ASP 814.A OD2 no hydrogen 2.875 N/A ASN 819.A N LEU 815.A O no hydrogen 2.809 N/A ASN 819.A ND2 ASN 259.A OD1 no hydrogen 2.848 N/A VAL 822.A N ASN 819.A OD1 no hydrogen 3.254 N/A ALA 823.A N ASN 819.A O no hydrogen 3.041 N/A SER 824.A N PRO 820.A O no hydrogen 2.879 N/A SER 824.A OG ASN 374.A OD1 no hydrogen 2.676 N/A ARG 825.A N GLN 821.A O no hydrogen 3.254 N/A ARG 825.A NH1 ASN 259.A O no hydrogen 2.987 N/A ARG 825.A NH2 ASN 259.A O no hydrogen 3.186 N/A LEU 826.A N VAL 822.A O no hydrogen 3.021 N/A ILE 827.A N ALA 823.A O no hydrogen 2.871 N/A GLU 828.A N ARG 825.A O no hydrogen 3.446 N/A LEU 830.A N ILE 827.A O no hydrogen 2.908 N/A ILE 831.A N GLU 828.A O no hydrogen 3.167 N/A LEU 833.A N LEU 830.A O no hydrogen 3.295 N/A ARG 835.A N ARG 832.A O no hydrogen 3.040 N/A ARG 835.A NE ASP 630.A O no hydrogen 3.137 N/A ARG 835.A NH1 GLU 627.A OE1.B no hydrogen 3.038 N/A ARG 835.A NH2 GLU 627.A OE1.B no hydrogen 3.550 N/A ARG 835.A NH2 PHE 629.A O no hydrogen 2.873 N/A TYR 836.A N LEU 833.A O no hydrogen 3.122 N/A ARG 840.A N ASP 837.A OD1 no hydrogen 3.002 N/A ARG 840.A NE HIS 798.A O no hydrogen 2.937 N/A ARG 840.A NH1 ASP 837.A OD2 no hydrogen 2.803 N/A ARG 840.A NH2 HIS 798.A O no hydrogen 2.861 N/A GLN 841.A N ASP 837.A O no hydrogen 2.803 N/A GLN 841.A NE2 TYR 836.A O no hydrogen 3.123 N/A GLU 842.A N ALA 838.A O no hydrogen 3.001 N/A LYS 843.A N LYS 839.A O no hydrogen 3.192 N/A MET 844.A N ARG 840.A O no hydrogen 2.845 N/A ARG 845.A N GLN 841.A O no hydrogen 2.930 N/A ARG 845.A NH2 GLN 841.A OE1 no hydrogen 2.962 N/A ALA 846.A N GLU 842.A O no hydrogen 3.037 N/A ALA 847.A N LYS 843.A O no hydrogen 3.029 N/A LEU 848.A N MET 844.A O no hydrogen 2.864 N/A GLU 849.A N ARG 845.A O no hydrogen 2.850 N/A GLN 850.A N ALA 846.A O no hydrogen 2.905 N/A LEU 851.A N ALA 847.A O no hydrogen 3.016 N/A LYS 852.A N LEU 848.A O no hydrogen 2.791 N/A GLY 853.A N GLU 849.A O no hydrogen 3.194 N/A GLY 853.A N GLN 850.A O no hydrogen 3.084 N/A LEU 854.A N LEU 851.A O no hydrogen 3.030 N/A SER 858.A N ASN 816.A OD1 no hydrogen 2.914 N/A SER 858.A OG ASN 816.A OD1 no hydrogen 2.667 N/A LEU 861.A N SER 858.A OG no hydrogen 3.393 N/A TYR 862.A N SER 858.A O no hydrogen 2.882 N/A TYR 862.A OH GLN 4.A OE1 no hydrogen 3.335 N/A GLU 863.A N GLY 859.A O no hydrogen 3.083 N/A LYS 864.A NZ SER 824.A O no hydrogen 2.914 N/A LYS 864.A NZ SER 824.A OG no hydrogen 3.131 N/A LYS 864.A NZ GLU 828.A OE1 no hydrogen 2.628 N/A ILE 865.A N LEU 861.A O no hydrogen 2.829 N/A THR 866.A N.A TYR 862.A O no hydrogen 2.985 N/A THR 866.A N.B TYR 862.A O no hydrogen 2.996 N/A THR 866.A OG1.A TYR 862.A O no hydrogen 3.027 N/A THR 866.A OG1.A GLU 863.A O no hydrogen 3.363 N/A LYS 867.A N GLU 863.A O no hydrogen 3.417 N/A ALA 868.A N LYS 864.A O no hydrogen 3.076 N/A LEU 869.A N ILE 865.A O no hydrogen 2.952 N/A ALA 870.A N THR 866.A O.A no hydrogen 3.096 N/A