Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xmw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 LEU 854.A O no hydrogen 2.941 N/A LYS 5.A N VAL 366.A O no hydrogen 2.793 N/A LYS 5.A NZ ILE 367.A O no hydrogen 2.890 N/A ARG 7.A N ASP 364.A O no hydrogen 2.937 N/A ARG 7.A NE ASP 364.A OD1 no hydrogen 2.809 N/A ARG 7.A NH2 ASP 364.A OD1 no hydrogen 2.871 N/A ASP 9.A N TYR 6.A O no hydrogen 3.010 N/A TYR 10.A N ARG 7.A O no hydrogen 3.212 N/A TYR 10.A OH ASP 133.A OD2 no hydrogen 2.559 N/A TYR 15.A OH ALA 47.A O no hydrogen 2.490 N/A GLN 16.A N VAL 40.A O no hydrogen 2.902 N/A GLN 16.A NE2 ASP 133.A O no hydrogen 3.106 N/A THR 18.A N GLN 38.A O no hydrogen 2.866 N/A THR 18.A OG1 ASP 19.A OD1 no hydrogen 2.527 N/A THR 18.A OG1 GLN 38.A O no hydrogen 3.504 N/A ILE 20.A N ARG 137.A O no hydrogen 2.973 N/A ASP 21.A N VAL 36.A O no hydrogen 2.915 N/A LEU 22.A N THR 139.A O no hydrogen 2.805 N/A THR 23.A N THR 34.A O no hydrogen 2.727 N/A PHE 24.A N LYS 141.A O no hydrogen 2.842 N/A ASP 25.A N VAL 32.A O no hydrogen 2.857 N/A LEU 26.A N ILE 143.A O no hydrogen 2.922 N/A ASP 27.A N THR 31.A OG1 no hydrogen 3.058 N/A GLN 29.A N ASP 27.A OD1 no hydrogen 2.816 N/A LYS 30.A N ASP 27.A OD1 no hydrogen 2.916 N/A THR 31.A N ILE 95.A O no hydrogen 2.806 N/A THR 31.A OG1 ASP 27.A O no hydrogen 2.756 N/A VAL 32.A N ASP 25.A O no hydrogen 2.992 N/A VAL 33.A N ASN 93.A O no hydrogen 2.839 N/A THR 34.A N THR 23.A O no hydrogen 2.785 N/A ALA 35.A N ILE 91.A O no hydrogen 2.943 N/A VAL 36.A N ASP 21.A O no hydrogen 2.836 N/A SER 37.A N LEU 89.A O no hydrogen 2.789 N/A GLN 38.A N ASP 19.A O no hydrogen 2.913 N/A GLN 38.A NE2 THR 88.A OG1 no hydrogen 2.778 N/A ALA 39.A N PHE 87.A O no hydrogen 3.017 N/A VAL 40.A N GLN 16.A O no hydrogen 2.806 N/A ARG 41.A N GLU 85.A O no hydrogen 2.854 N/A ARG 41.A NH1 TYR 15.A OH no hydrogen 2.933 N/A ARG 41.A NH1 LEU 83.A O no hydrogen 2.869 N/A ARG 41.A NH2 LEU 83.A O no hydrogen 3.379 N/A HIS 42.A N ASP 14.A O no hydrogen 2.744 N/A GLY 43.A N ASP 14.A O no hydrogen 2.913 N/A ALA 47.A N ALA 44.A O no hydrogen 3.018 N/A LEU 49.A N ILE 80.A O no hydrogen 2.775 N/A LEU 51.A N LEU 78.A O no hydrogen 2.867 N/A ASN 52.A N TYR 128.A O no hydrogen 2.847 N/A GLY 53.A N GLY 76.A O no hydrogen 3.061 N/A GLU 54.A N ARG 123.A O no hydrogen 2.942 N/A LYS 57.A N GLU 94.A O no hydrogen 2.908 N/A VAL 59.A N ILE 92.A O no hydrogen 2.811 N/A SER 60.A N ILE 92.A O no hydrogen 3.102 N/A HIS 62.A N LYS 90.A O no hydrogen 2.939 N/A ILE 63.A N GLU 66.A O no hydrogen 2.817 N/A ASN 64.A N THR 88.A O no hydrogen 2.894 N/A GLU 66.A N ILE 63.A O no hydrogen 2.857 N/A TRP 68.A N VAL 61.A O no hydrogen 2.983 N/A TRP 68.A NE1 SER 81.A O no hydrogen 3.157 N/A TRP 71.A NE1 TRP 68.A O no hydrogen 2.846 N/A LYS 72.A N VAL 79.A O no hydrogen 2.904 N/A LYS 72.A NZ GLU 74.A OE2.A no hydrogen 2.796 N/A GLU 74.A N ALA 77.A O no hydrogen 3.006 N/A ALA 77.A N GLU 74.A O no hydrogen 3.050 N/A LEU 78.A N LEU 51.A O no hydrogen 2.771 N/A VAL 79.A N LYS 72.A O no hydrogen 2.907 N/A ILE 80.A N LEU 49.A O no hydrogen 2.850 N/A SER 81.A N ALA 70.A O no hydrogen 2.903 N/A PHE 87.A N ALA 39.A O no hydrogen 3.307 N/A THR 88.A N ASN 64.A OD1 no hydrogen 2.822 N/A THR 88.A OG1 ASN 64.A OD1 no hydrogen 3.429 N/A LEU 89.A N SER 37.A O no hydrogen 2.777 N/A LYS 90.A N HIS 62.A O no hydrogen 2.753 N/A ILE 91.A N ALA 35.A O no hydrogen 2.950 N/A ILE 92.A N SER 60.A O no hydrogen 3.028 N/A ASN 93.A N VAL 33.A O no hydrogen 3.133 N/A ASN 93.A ND2 ILE 125.A O no hydrogen 2.929 N/A GLU 94.A N LYS 57.A O no hydrogen 2.787 N/A ILE 95.A N THR 31.A O no hydrogen 3.050 N/A SER 96.A OG GLN 29.A O no hydrogen 2.634 N/A ALA 98.A N ALA 28.A O no hydrogen 2.889 N/A ALA 99.A N SER 96.A O no hydrogen 3.079 N/A ASN 100.A N PRO 97.A O no hydrogen 3.112 N/A ASN 100.A ND2 GLU 104.A O no hydrogen 2.614 N/A ASN 100.A ND2 LEU 106.A O no hydrogen 3.484 N/A THR 101.A OG1 ARG 815.A O no hydrogen 2.673 N/A LEU 103.A N ASN 100.A OD1 no hydrogen 2.954 N/A GLY 105.A N GLN 116.A O no hydrogen 2.731 N/A TYR 107.A N CYS 114.A O no hydrogen 2.863 N/A TYR 107.A OH PHE 254.A O no hydrogen 2.694 N/A SER 109.A N ALA 112.A O no hydrogen 2.785 N/A ALA 112.A N SER 109.A O no hydrogen 2.921 N/A LEU 113.A N ALA 188.A O no hydrogen 2.861 N/A CYS 114.A N TYR 107.A O no hydrogen 3.027 N/A THR 115.A OG1 LEU 186.A O no hydrogen 3.377 N/A GLN 116.A N GLY 105.A O no hydrogen 2.948 N/A GLN 116.A NE2 GLU 118.A O no hydrogen 3.028 N/A CYS 117.A SG PHE 184.A O no hydrogen 3.652 N/A GLY 121.A N CYS 117.A O no hydrogen 2.802 N/A ARG 123.A N ASP 130.A OD2 no hydrogen 3.217 N/A ARG 123.A NE ASP 130.A OD2 no hydrogen 2.762 N/A ARG 123.A NH2 ASP 130.A O no hydrogen 2.941 N/A HIS 124.A N GLY 121.A O no hydrogen 2.826 N/A ILE 125.A N PHE 122.A O no hydrogen 2.769 N/A THR 126.A N PHE 122.A O no hydrogen 3.246 N/A THR 126.A OG1 ASN 93.A OD1 no hydrogen 2.705 N/A TYR 127.A OH GLU 73.A OE2 no hydrogen 2.473 N/A TYR 128.A N ASN 52.A O no hydrogen 3.078 N/A ASP 130.A N ASN 52.A OD1 no hydrogen 2.945 N/A ARG 131.A N LEU 129.A O no hydrogen 2.854 N/A ARG 131.A NE ASP 133.A OD1 no hydrogen 2.680 N/A ARG 131.A NH2 ARG 11.A O no hydrogen 2.833 N/A ARG 131.A NH2 ASP 133.A OD1 no hydrogen 3.464 N/A ARG 131.A NH2 ASP 133.A OD2 no hydrogen 2.757 N/A VAL 134.A N ARG 131.A O no hydrogen 3.231 N/A ALA 136.A N LYS 179.A O no hydrogen 3.029 N/A ARG 137.A N THR 18.A O no hydrogen 2.933 N/A ARG 137.A NE ASP 19.A OD2 no hydrogen 2.890 N/A ARG 137.A NH2 ASP 19.A OD1 no hydrogen 3.158 N/A ARG 137.A NH2 ASP 19.A OD2 no hydrogen 3.284 N/A THR 139.A N ILE 20.A O no hydrogen 2.955 N/A THR 140.A N TRP 173.A O no hydrogen 2.817 N/A LYS 141.A N LEU 22.A O no hydrogen 2.855 N/A ILE 142.A N VAL 171.A O no hydrogen 2.848 N/A ILE 143.A N PHE 24.A O no hydrogen 2.791 N/A ALA 144.A N HIS 169.A O no hydrogen 2.968 N/A LYS 146.A N GLY 167.A O no hydrogen 2.828 N/A LYS 146.A NZ GLU 163.A OE1 no hydrogen 3.294 N/A ILE 147.A N ASP 145.A OD2 no hydrogen 3.083 N/A LYS 148.A N ASP 145.A OD2 no hydrogen 2.992 N/A TYR 149.A N ASP 145.A O no hydrogen 2.878 N/A PHE 151.A N GLY 189.A O no hydrogen 2.913 N/A LEU 153.A N VAL 187.A O no hydrogen 2.827 N/A SER 154.A OG ASN 155.A OD1 no hydrogen 3.443 N/A SER 154.A OG ALA 185.A O no hydrogen 2.705 N/A ASN 155.A ND2 LEU 183.A O no hydrogen 3.012 N/A ASN 155.A ND2 LYS 263.A O no hydrogen 2.837 N/A ASN 157.A N GLN 174.A O no hydrogen 2.901 N/A ASN 157.A ND2 ASP 245.A OD2 no hydrogen 3.351 N/A VAL 159.A N GLN 172.A O no hydrogen 2.823 N/A ALA 160.A N GLN 172.A O no hydrogen 3.400 N/A GLY 162.A N TRP 170.A O no hydrogen 3.075 N/A LEU 164.A N ARG 168.A O no hydrogen 2.847 N/A ARG 168.A NH2 ASP 25.A OD2 no hydrogen 2.769 N/A HIS 169.A N ALA 144.A O no hydrogen 2.878 N/A HIS 169.A NE2 TYR 149.A O no hydrogen 2.946 N/A TRP 170.A N GLY 162.A O no hydrogen 3.042 N/A VAL 171.A N ILE 142.A O no hydrogen 2.991 N/A GLN 172.A N ALA 160.A O no hydrogen 2.869 N/A TRP 173.A N THR 140.A O no hydrogen 2.779 N/A TRP 173.A NE1 LEU 152.A O no hydrogen 2.794 N/A GLN 174.A N ASN 157.A O no hydrogen 2.946 N/A ASP 175.A N PHE 138.A O no hydrogen 3.169 N/A PHE 177.A N ASP 175.A OD1 no hydrogen 3.017 N/A LYS 179.A N ALA 136.A O no hydrogen 2.962 N/A LYS 179.A NZ ASP 175.A OD2 no hydrogen 2.522 N/A CYS 181.A SG ASP 130.A OD1 no hydrogen 3.182 N/A TYR 182.A OH THR 306.A OG1 no hydrogen 2.717 N/A LEU 183.A N PRO 180.A O no hydrogen 3.146 N/A PHE 184.A N CYS 181.A O no hydrogen 3.006 N/A ALA 185.A N ASN 155.A OD1 no hydrogen 2.948 N/A LEU 186.A N THR 115.A OG1 no hydrogen 2.909 N/A VAL 187.A N LEU 153.A O no hydrogen 2.955 N/A ALA 188.A N LEU 113.A O no hydrogen 2.765 N/A GLY 189.A N PHE 151.A O no hydrogen 2.972 N/A ASP 192.A N VAL 212.A O no hydrogen 2.802 N/A LEU 194.A N LEU 210.A O no hydrogen 2.906 N/A ASP 196.A N LEU 208.A O no hydrogen 2.903 N/A THR 197.A N ASP 196.A OD1 no hydrogen 2.788 N/A PHE 198.A N VAL 206.A O no hydrogen 3.080 N/A THR 199.A OG1 GLU 205.A OE2.B no hydrogen 3.330 N/A THR 200.A N ARG 204.A O no hydrogen 2.681 N/A THR 200.A OG1 SER 202.A OG no hydrogen 3.309 N/A THR 200.A OG1 GLU 241.A OE1 no hydrogen 2.625 N/A ARG 201.A N GLU 235.A OE2 no hydrogen 2.939 N/A SER 202.A N GLU 241.A OE2 no hydrogen 3.132 N/A SER 202.A OG THR 200.A OG1 no hydrogen 3.309 N/A SER 202.A OG GLU 241.A OE1 no hydrogen 2.903 N/A SER 202.A OG GLU 241.A OE2 no hydrogen 2.705 N/A GLY 203.A N THR 200.A O no hydrogen 2.910 N/A ARG 204.A N THR 200.A OG1 no hydrogen 3.178 N/A ARG 204.A NE LEU 244.A O no hydrogen 3.255 N/A VAL 206.A N PHE 198.A O no hydrogen 2.682 N/A ALA 207.A N ASP 245.A O no hydrogen 2.868 N/A LEU 208.A N ASP 196.A O no hydrogen 2.916 N/A GLU 209.A N TYR 247.A O no hydrogen 2.922 N/A LEU 210.A N LEU 194.A O no hydrogen 2.834 N/A TYR 211.A N ILE 249.A O no hydrogen 2.872 N/A TYR 211.A OH GLU 209.A OE1 no hydrogen 2.562 N/A VAL 212.A N ASP 192.A O no hydrogen 2.878 N/A ARG 214.A NE ASP 190.A OD1 no hydrogen 3.076 N/A ARG 214.A NE ASP 190.A OD2 no hydrogen 3.517 N/A ARG 214.A NH1 ASP 192.A OD1 no hydrogen 2.794 N/A ARG 214.A NH2 ASP 190.A OD1 no hydrogen 2.766 N/A GLY 215.A N ASP 192.A OD2 no hydrogen 2.747 N/A ASN 216.A N ASP 213.A O no hydrogen 2.882 N/A ARG 219.A N ASN 216.A O no hydrogen 2.839 N/A ARG 219.A NH2 ASN 216.A OD1 no hydrogen 3.221 N/A ALA 220.A N LEU 217.A O no hydrogen 3.219 N/A TRP 222.A NE1 TYR 285.A O no hydrogen 2.987 N/A MET 224.A N ALA 220.A O no hydrogen 3.238 N/A THR 225.A N PRO 221.A O no hydrogen 2.851 N/A THR 225.A OG1 PRO 221.A O no hydrogen 2.798 N/A SER 226.A N TRP 222.A O no hydrogen 2.770 N/A SER 226.A OG TRP 222.A O no hydrogen 3.034 N/A LEU 227.A N ALA 223.A O no hydrogen 2.925 N/A LYS 228.A N MET 224.A O no hydrogen 3.128 N/A LYS 228.A NZ ASP 196.A OD2 no hydrogen 2.516 N/A ASN 229.A N THR 225.A O no hydrogen 2.879 N/A SER 230.A N SER 226.A O no hydrogen 2.820 N/A SER 230.A OG SER 226.A O no hydrogen 2.736 N/A MET 231.A N LEU 227.A O no hydrogen 2.966 N/A LYS 232.A N LYS 228.A O no hydrogen 3.021 N/A TRP 233.A N ASN 229.A O no hydrogen 2.981 N/A TRP 233.A NE1 ASP 330.A OD2 no hydrogen 2.772 N/A ASP 234.A N SER 230.A O no hydrogen 2.973 N/A GLU 235.A N MET 231.A O no hydrogen 3.197 N/A GLU 236.A N LYS 232.A O no hydrogen 2.980 N/A ARG 237.A N TRP 233.A O no hydrogen 2.856 N/A ARG 237.A NE GLU 394.A OE2 no hydrogen 2.852 N/A ARG 237.A NH1 GLU 326.A OE1 no hydrogen 2.903 N/A ARG 237.A NH1 ASP 330.A OD2 no hydrogen 2.947 N/A ARG 237.A NH2 GLU 326.A OE1 no hydrogen 2.909 N/A ARG 237.A NH2 GLU 394.A OE1 no hydrogen 2.883 N/A PHE 238.A N ASP 234.A O no hydrogen 3.047 N/A GLY 239.A N GLU 235.A O no hydrogen 2.912 N/A LEU 240.A N ASP 234.A O no hydrogen 3.094 N/A TYR 242.A OH ILE 246.A O no hydrogen 2.676 N/A TYR 247.A N ALA 207.A O no hydrogen 2.956 N/A TYR 247.A OH ASN 266.A OD1 no hydrogen 2.633 N/A MET 248.A N GLY 264.A O no hydrogen 3.104 N/A ILE 249.A N GLU 209.A O no hydrogen 2.918 N/A VAL 250.A N ASN 266.A O no hydrogen 2.929 N/A ALA 251.A N TYR 211.A O no hydrogen 2.953 N/A VAL 252.A N PHE 268.A O no hydrogen 2.876 N/A PHE 254.A N SER 109.A OG no hydrogen 3.109 N/A ASN 256.A ND2 ALA 102.A O no hydrogen 2.944 N/A ASN 256.A ND2 ASN 816.A OD1 no hydrogen 3.445 N/A MET 260.A N ILE 267.A O no hydrogen 2.752 N/A GLU 261.A N GLU 261.A OE1 no hydrogen 2.807 N/A ASN 262.A ND2 LEU 265.A O no hydrogen 3.386 N/A LYS 263.A NZ ASP 243.A OD1 no hydrogen 3.237 N/A LYS 263.A NZ ASP 243.A OD2 no hydrogen 2.787 N/A LYS 263.A NZ ASN 299.A OD1 no hydrogen 2.962 N/A LEU 265.A N ASN 262.A O no hydrogen 2.835 N/A ASN 266.A N MET 248.A O no hydrogen 2.946 N/A ASN 266.A ND2 ASN 262.A O no hydrogen 3.174 N/A ILE 267.A N MET 260.A O no hydrogen 3.283 N/A PHE 268.A N VAL 250.A O no hydrogen 2.838 N/A ASN 269.A N GLY 258.A O no hydrogen 2.871 N/A ASN 269.A ND2 ALA 257.A O no hydrogen 3.206 N/A ASN 269.A ND2 ASN 777.A OD1 no hydrogen 2.864 N/A SER 270.A N VAL 252.A O no hydrogen 2.885 N/A SER 270.A OG.A ASP 253.A OD1 no hydrogen 2.879 N/A SER 270.A OG.B VAL 252.A O no hydrogen 2.853 N/A SER 270.A OG.B ASP 253.A OD1 no hydrogen 2.748 N/A LYS 271.A N ASN 269.A OD1 no hydrogen 2.945 N/A LYS 271.A NZ TYR 272.A OH no hydrogen 3.294 N/A TYR 272.A N ASN 269.A O no hydrogen 2.848 N/A VAL 273.A N SER 270.A O no hydrogen 3.084 N/A LEU 274.A N SER 270.A O no hydrogen 3.061 N/A ALA 275.A N ARG 219.A O no hydrogen 3.019 N/A ARG 276.A N THR 279.A OG1 no hydrogen 3.157 N/A ARG 276.A NE ASP 278.A OD1 no hydrogen 2.745 N/A ARG 276.A NH2 ASP 278.A OD1 no hydrogen 3.390 N/A ARG 276.A NH2 ASP 278.A OD2 no hydrogen 3.061 N/A THR 279.A N ARG 276.A O no hydrogen 3.015 N/A THR 279.A OG1 ARG 276.A O no hydrogen 3.223 N/A ALA 280.A N ARG 276.A O no hydrogen 2.967 N/A THR 281.A N ASP 284.A OD2 no hydrogen 2.884 N/A ASP 282.A N THR 708.A OG1 no hydrogen 2.808 N/A ASP 284.A N THR 281.A OG1 no hydrogen 2.907 N/A TYR 285.A N THR 281.A O no hydrogen 2.924 N/A LEU 286.A N ASP 282.A O no hydrogen 2.947 N/A ASP 287.A N LYS 283.A O no hydrogen 2.755 N/A ILE 288.A N ASP 284.A O no hydrogen 2.744 N/A GLU 289.A N TYR 285.A O no hydrogen 2.948 N/A ARG 290.A N LEU 286.A O no hydrogen 2.956 N/A ARG 290.A NE ASP 287.A OD1 no hydrogen 3.281 N/A ARG 290.A NH2 ASP 287.A OD1 no hydrogen 3.113 N/A VAL 291.A N ASP 287.A O no hydrogen 2.909 N/A ILE 292.A N ILE 288.A O no hydrogen 2.922 N/A GLY 293.A N GLU 289.A O no hydrogen 2.965 N/A HIS 294.A N ARG 290.A O no hydrogen 2.800 N/A HIS 294.A ND1 ASP 324.A OD2 no hydrogen 2.814 N/A GLU 295.A N VAL 291.A O no hydrogen 3.010 N/A TYR 296.A N ILE 292.A O no hydrogen 3.015 N/A PHE 297.A N GLY 293.A O no hydrogen 2.670 N/A HIS 298.A N HIS 294.A O no hydrogen 3.065 N/A HIS 298.A ND1 THR 301.A O no hydrogen 2.819 N/A ASN 299.A N TYR 296.A O no hydrogen 2.967 N/A ASN 299.A ND2 ASP 243.A OD1 no hydrogen 2.958 N/A TRP 300.A N PHE 297.A O no hydrogen 3.291 N/A TRP 300.A NE1 GLU 241.A O no hydrogen 3.042 N/A THR 301.A N PHE 297.A O no hydrogen 3.169 N/A THR 301.A OG1 PHE 297.A O no hydrogen 3.061 N/A THR 301.A OG1 THR 320.A OG1 no hydrogen 2.816 N/A GLY 302.A N VAL 305.A O no hydrogen 2.803 N/A ASN 303.A N HIS 298.A O no hydrogen 2.982 N/A ASN 303.A ND2 GLU 261.A O no hydrogen 2.961 N/A ARG 304.A N ASN 299.A O no hydrogen 3.063 N/A ARG 304.A NE ASP 409.A OD1 no hydrogen 2.641 N/A ARG 304.A NH1 ASP 243.A OD2 no hydrogen 2.911 N/A ARG 304.A NH2 ASP 409.A OD1 no hydrogen 3.378 N/A ARG 304.A NH2 ASP 409.A OD2 no hydrogen 2.769 N/A VAL 305.A N TRP 300.A O no hydrogen 3.316 N/A THR 306.A N SER 411.A O no hydrogen 3.009 N/A THR 306.A OG1 TYR 182.A OH no hydrogen 2.717 N/A THR 306.A OG1 GLY 302.A O no hydrogen 3.118 N/A CYS 307.A N THR 306.A OG1 no hydrogen 2.784 N/A CYS 307.A SG GLN 312.A O no hydrogen 3.540 N/A ARG 308.A N ALA 413.A O no hydrogen 2.807 N/A ARG 308.A NE ASP 309.A OD2 no hydrogen 2.917 N/A ARG 308.A NH2 ASP 309.A OD2 no hydrogen 2.929 N/A PHE 311.A N ASP 309.A OD1 no hydrogen 2.935 N/A GLN 312.A N ASP 309.A O no hydrogen 2.999 N/A GLN 312.A NE2 ASP 309.A OD1 no hydrogen 3.293 N/A GLN 312.A NE2 ASP 309.A OD2 no hydrogen 3.033 N/A LEU 313.A N TRP 310.A O no hydrogen 3.108 N/A SER 314.A OG VAL 377.A O no hydrogen 2.606 N/A LEU 315.A N GLN 312.A O no hydrogen 2.788 N/A LYS 316.A N LEU 313.A O no hydrogen 3.028 N/A LYS 316.A NZ GLU 118.A OE1 no hydrogen 3.479 N/A LYS 316.A NZ GLU 118.A OE2 no hydrogen 2.608 N/A LYS 316.A NZ GLU 261.A OE2 no hydrogen 3.041 N/A LYS 316.A NZ GLU 317.A OE2 no hydrogen 2.764 N/A GLU 317.A N LEU 313.A O no hydrogen 2.931 N/A GLY 318.A N SER 314.A O no hydrogen 2.820 N/A THR 320.A N LYS 316.A O no hydrogen 2.878 N/A THR 320.A OG1 HIS 298.A ND1 no hydrogen 3.117 N/A THR 320.A OG1 THR 301.A OG1 no hydrogen 2.816 N/A THR 320.A OG1 LYS 316.A O no hydrogen 2.618 N/A VAL 321.A N GLU 317.A O no hydrogen 2.798 N/A PHE 322.A N GLY 318.A O no hydrogen 2.767 N/A ARG 323.A N LEU 319.A O no hydrogen 2.973 N/A ARG 323.A NE THR 301.A OG1 no hydrogen 3.092 N/A ARG 323.A NH1 ASP 234.A OD1 no hydrogen 2.697 N/A ARG 323.A NH2 ASP 234.A OD1 no hydrogen 3.410 N/A ARG 323.A NH2 ASP 234.A OD2 no hydrogen 2.749 N/A ARG 323.A NH2 PHE 297.A O no hydrogen 2.841 N/A ASP 324.A N THR 320.A O no hydrogen 2.794 N/A GLN 325.A N VAL 321.A O no hydrogen 2.944 N/A GLU 326.A N PHE 322.A O no hydrogen 2.879 N/A PHE 327.A N ARG 323.A O no hydrogen 2.949 N/A SER 328.A N ASP 324.A O no hydrogen 3.009 N/A SER 328.A OG ASP 324.A O no hydrogen 3.176 N/A SER 329.A N GLN 325.A O no hydrogen 2.856 N/A SER 329.A OG GLN 325.A O no hydrogen 2.747 N/A ASP 330.A N GLU 326.A O no hydrogen 2.843 N/A LEU 331.A N PHE 327.A O no hydrogen 2.963 N/A GLY 332.A N SER 328.A O no hydrogen 2.765 N/A ARG 334.A NH1 GLU 326.A OE1 no hydrogen 3.538 N/A ARG 334.A NH1 GLU 326.A OE2 no hydrogen 2.970 N/A ARG 334.A NH2 GLU 326.A OE1 no hydrogen 3.074 N/A ARG 334.A NH2 ASP 330.A OD1 no hydrogen 2.833 N/A VAL 336.A N SER 333.A OG no hydrogen 3.050 N/A ASN 337.A N SER 333.A O no hydrogen 3.100 N/A ASN 337.A ND2 SER 333.A O no hydrogen 2.936 N/A ARG 338.A N ARG 334.A O no hydrogen 2.975 N/A ARG 338.A NE GLU 532.A O no hydrogen 2.840 N/A ARG 338.A NH1 GLU 383.A OE1 no hydrogen 3.522 N/A ARG 338.A NH1 GLU 383.A OE2 no hydrogen 2.996 N/A ARG 338.A NH2 GLU 383.A OE1 no hydrogen 2.713 N/A ARG 338.A NH2 GLU 532.A O no hydrogen 3.180 N/A ARG 338.A NH2 PHE 533.A O no hydrogen 2.831 N/A ILE 339.A N ALA 335.A O no hydrogen 2.942 N/A ASN 340.A N VAL 336.A O no hydrogen 2.901 N/A ASN 341.A N ASN 337.A O no hydrogen 2.829 N/A VAL 342.A N ARG 338.A O no hydrogen 2.788 N/A ARG 343.A N ILE 339.A O no hydrogen 2.854 N/A ARG 343.A NE.A GLU 612.A OE1.B no hydrogen 3.369 N/A ARG 343.A NH1.A GLU 612.A OE1.B no hydrogen 3.365 N/A ARG 343.A NH1.A THR 615.A O no hydrogen 2.779 N/A ARG 343.A NH2.A THR 615.A O no hydrogen 3.559 N/A ARG 343.A NH2.A GLU 621.A OE1 no hydrogen 3.425 N/A ARG 343.A NH2.A GLU 621.A OE2 no hydrogen 2.880 N/A ARG 343.A NH2.B GLU 612.A OE1.A no hydrogen 2.399 N/A THR 344.A N ASN 340.A O no hydrogen 2.991 N/A THR 344.A OG1 ASN 340.A O no hydrogen 3.225 N/A MET 345.A N ASN 341.A O no hydrogen 2.972 N/A ARG 346.A N VAL 342.A O no hydrogen 2.817 N/A ARG 346.A NH1.A ASP 563.A OD1 no hydrogen 2.539 N/A ARG 346.A NH2.A ASP 563.A OD1 no hydrogen 2.763 N/A ARG 346.A NH2.A ASP 563.A OD2 no hydrogen 3.394 N/A ARG 346.A NH2.B ASP 563.A OD1 no hydrogen 2.806 N/A GLY 347.A N ARG 343.A O no hydrogen 2.891 N/A LEU 348.A N THR 344.A O no hydrogen 2.975 N/A GLN 349.A N THR 344.A O no hydrogen 3.125 N/A GLN 349.A N MET 345.A O no hydrogen 3.144 N/A GLN 349.A NE2 ASP 353.A OD2 no hydrogen 3.046 N/A GLN 349.A NE2 THR 376.A OG1 no hydrogen 3.037 N/A PHE 350.A N MET 345.A O no hydrogen 2.806 N/A GLU 352.A N LEU 348.A O no hydrogen 3.447 N/A ASP 353.A N GLN 349.A O no hydrogen 2.916 N/A ALA 354.A N PHE 350.A O no hydrogen 3.178 N/A ALA 354.A N ALA 351.A O no hydrogen 3.291 N/A SER 355.A N GLU 352.A O no hydrogen 2.893 N/A SER 355.A OG GLU 352.A O no hydrogen 2.650 N/A MET 357.A N SER 355.A OG no hydrogen 2.941 N/A ALA 358.A N SER 355.A O no hydrogen 3.177 N/A HIS 359.A ND1 MET 357.A O no hydrogen 2.849 N/A HIS 359.A NE2 THR 374.A OG1 no hydrogen 2.939 N/A ARG 362.A N TYR 437.A O no hydrogen 3.304 N/A VAL 366.A N LYS 5.A O no hydrogen 2.979 N/A ILE 367.A N GLU 860.A OE2 no hydrogen 2.853 N/A GLU 368.A N GLU 860.A OE1 no hydrogen 2.942 N/A ASN 370.A N GLU 368.A OE2 no hydrogen 2.966 N/A ASN 370.A ND2 GLU 104.A OE2 no hydrogen 3.016 N/A ASN 371.A N GLU 368.A O no hydrogen 2.766 N/A ASN 371.A ND2 ASP 857.A O no hydrogen 3.003 N/A ASN 371.A ND2 GLU 860.A OE1 no hydrogen 2.794 N/A PHE 372.A N MET 369.A O no hydrogen 3.061 N/A TYR 373.A OH GLU 118.A OE2 no hydrogen 2.714 N/A THR 374.A OG1 HIS 359.A NE2 no hydrogen 2.939 N/A THR 376.A N GLU 352.A OE1 no hydrogen 2.909 N/A THR 376.A OG1 GLU 352.A OE1 no hydrogen 2.470 N/A VAL 377.A N THR 374.A OG1 no hydrogen 3.015 N/A TYR 378.A N THR 374.A O no hydrogen 2.880 N/A GLU 379.A N LEU 375.A O no hydrogen 2.793 N/A LYS 380.A N LEU 375.A O no hydrogen 3.118 N/A LYS 380.A NZ ASP 353.A OD2 no hydrogen 3.169 N/A LYS 380.A NZ GLY 441.A O no hydrogen 3.059 N/A GLY 381.A N THR 376.A O no hydrogen 2.927 N/A ALA 382.A N TYR 378.A O no hydrogen 2.894 N/A GLU 383.A N GLU 379.A O no hydrogen 3.093 N/A VAL 384.A N LYS 380.A O no hydrogen 2.881 N/A ILE 385.A N GLY 381.A O no hydrogen 3.042 N/A ARG 386.A N ALA 382.A O no hydrogen 2.662 N/A ARG 386.A NH1 GLU 326.A OE2 no hydrogen 2.934 N/A ARG 386.A NH2 GLN 325.A OE1 no hydrogen 2.995 N/A ARG 386.A NH2 GLU 326.A OE2 no hydrogen 3.149 N/A MET 387.A N GLU 383.A O no hydrogen 2.821 N/A ILE 388.A N VAL 384.A O no hydrogen 3.069 N/A HIS 389.A N ILE 385.A O no hydrogen 2.974 N/A HIS 389.A NE2 GLU 394.A OE1 no hydrogen 2.880 N/A THR 390.A N ARG 386.A O no hydrogen 2.734 N/A THR 390.A OG1 ARG 386.A O no hydrogen 3.043 N/A LEU 391.A N MET 387.A O no hydrogen 2.811 N/A LEU 392.A N ILE 388.A O no hydrogen 2.815 N/A GLY 393.A N HIS 389.A O no hydrogen 2.833 N/A ASN 396.A ND2 LEU 392.A O no hydrogen 3.289 N/A PHE 397.A N GLY 393.A O no hydrogen 2.930 N/A GLN 398.A N GLU 394.A O no hydrogen 2.899 N/A GLN 398.A NE2 GLU 394.A OE2 no hydrogen 2.850 N/A LYS 399.A N GLU 395.A O no hydrogen 3.048 N/A LYS 399.A NZ ASN 396.A OD1 no hydrogen 3.386 N/A GLY 400.A N ASN 396.A O no hydrogen 3.012 N/A MET 401.A N PHE 397.A O no hydrogen 2.924 N/A GLN 402.A N GLN 398.A O no hydrogen 2.976 N/A LEU 403.A N LYS 399.A O no hydrogen 3.032 N/A TYR 404.A N GLY 400.A O no hydrogen 2.797 N/A PHE 405.A N MET 401.A O no hydrogen 2.958 N/A GLU 406.A N GLN 402.A O no hydrogen 2.946 N/A ARG 407.A N LEU 403.A O no hydrogen 2.869 N/A ARG 407.A NH1 ASP 424.A OD2 no hydrogen 2.940 N/A ARG 407.A NH2 ASP 424.A OD2 no hydrogen 2.809 N/A HIS 408.A N TYR 404.A O no hydrogen 2.931 N/A ASP 409.A N PHE 405.A O no hydrogen 2.849 N/A GLY 410.A N ARG 304.A O no hydrogen 2.783 N/A SER 411.A N HIS 408.A O no hydrogen 2.886 N/A SER 411.A OG HIS 408.A O no hydrogen 2.572 N/A ALA 413.A N THR 306.A O no hydrogen 2.871 N/A THR 414.A N ASP 417.A OD2 no hydrogen 2.785 N/A CYS 415.A N GLN 312.A OE1 no hydrogen 3.079 N/A CYS 415.A SG GLN 312.A OE1 no hydrogen 3.763 N/A ASP 417.A N THR 414.A OG1 no hydrogen 2.940 N/A PHE 418.A N THR 414.A O no hydrogen 3.275 N/A VAL 419.A N CYS 415.A O no hydrogen 3.049 N/A GLN 420.A N ASP 416.A O no hydrogen 2.932 N/A GLN 420.A NE2.B ASP 424.A OD1 no hydrogen 2.750 N/A GLN 420.A NE2.B ASP 424.A OD2 no hydrogen 3.567 N/A ALA 421.A N ASP 417.A O no hydrogen 2.979 N/A MET 422.A N PHE 418.A O no hydrogen 3.007 N/A GLU 423.A N VAL 419.A O no hydrogen 2.880 N/A ASP 424.A N GLN 420.A O no hydrogen 2.783 N/A ALA 425.A N ALA 421.A O no hydrogen 3.113 N/A SER 426.A N MET 422.A O no hydrogen 3.136 N/A SER 426.A OG MET 422.A O no hydrogen 2.707 N/A SER 426.A OG GLU 423.A O no hydrogen 3.488 N/A ASN 427.A N GLU 423.A O no hydrogen 2.947 N/A VAL 428.A N SER 426.A OG no hydrogen 3.032 N/A LEU 430.A N GLU 423.A OE1 no hydrogen 2.831 N/A SER 431.A N ASP 429.A OD1 no hydrogen 2.996 N/A SER 431.A OG ASP 429.A OD1 no hydrogen 2.575 N/A HIS 432.A NE2 PRO 477.A O no hydrogen 2.798 N/A ARG 434.A N LEU 430.A O no hydrogen 3.087 N/A ARG 434.A NE ASP 416.A OD1 no hydrogen 2.771 N/A ARG 434.A NH1 GLU 423.A OE1 no hydrogen 2.998 N/A ARG 434.A NH2 GLU 423.A OE2 no hydrogen 3.110 N/A ARG 435.A N HIS 432.A O no hydrogen 3.004 N/A ARG 435.A NH1 PRO 477.A O no hydrogen 3.251 N/A TRP 436.A N PHE 433.A O no hydrogen 2.840 N/A TRP 436.A NE1 HIS 479.A O no hydrogen 2.927 N/A TYR 437.A N ARG 434.A O no hydrogen 2.781 N/A SER 438.A N ARG 435.A O no hydrogen 3.123 N/A SER 438.A OG ARG 435.A O no hydrogen 3.385 N/A GLN 439.A N ARG 435.A O no hydrogen 3.015 N/A GLN 439.A NE2 GLN 476.A O no hydrogen 2.901 N/A SER 440.A N GLN 472.A OE1 no hydrogen 3.139 N/A SER 440.A OG THR 469.A OG1 no hydrogen 2.958 N/A SER 440.A OG ASP 471.A OD1 no hydrogen 3.131 N/A SER 440.A OG ASP 471.A OD2 no hydrogen 2.763 N/A GLY 441.A N ASP 353.A OD1 no hydrogen 2.928 N/A ILE 444.A N ARG 465.A O no hydrogen 2.795 N/A VAL 445.A N LYS 538.A O no hydrogen 2.733 N/A THR 446.A N SER 463.A O no hydrogen 2.887 N/A THR 446.A OG1 GLU 540.A OE1.B no hydrogen 2.528 N/A VAL 447.A N GLU 540.A O no hydrogen 2.898 N/A LYS 448.A N THR 461.A O no hydrogen 2.843 N/A ASP 450.A N THR 459.A O no hydrogen 2.955 N/A TYR 451.A OH VAL 521.A O no hydrogen 2.821 N/A ASN 452.A N GLN 457.A O no hydrogen 2.835 N/A THR 455.A N ASN 452.A OD1 no hydrogen 3.308 N/A THR 455.A OG1 GLN 457.A OE1 no hydrogen 3.253 N/A GLU 456.A N ASN 452.A O no hydrogen 2.719 N/A GLN 457.A N ASN 452.A O no hydrogen 3.361 N/A GLN 457.A NE2 ASP 519.A OD1.A no hydrogen 2.321 N/A TYR 458.A N PHE 518.A O no hydrogen 2.950 N/A TYR 458.A OH ASP 449.A OD2 no hydrogen 2.637 N/A THR 459.A N ASP 450.A O no hydrogen 2.933 N/A LEU 460.A N PHE 516.A O no hydrogen 2.796 N/A THR 461.A N LYS 448.A O no hydrogen 2.825 N/A ILE 462.A N GLN 514.A O no hydrogen 2.846 N/A SER 463.A N THR 446.A O no hydrogen 2.874 N/A GLN 464.A N ALA 512.A O no hydrogen 2.995 N/A GLN 464.A NE2 LEU 478.A O no hydrogen 2.813 N/A GLN 464.A NE2 GLN 511.A O no hydrogen 3.145 N/A ARG 465.A N ILE 444.A O no hydrogen 3.124 N/A THR 469.A N GLN 472.A O no hydrogen 3.246 N/A THR 469.A OG1 SER 440.A OG no hydrogen 2.958 N/A THR 469.A OG1 ASP 471.A OD1 no hydrogen 2.687 N/A GLN 472.A N THR 469.A O no hydrogen 3.055 N/A GLN 472.A NE2 SER 438.A O no hydrogen 2.813 N/A LYS 475.A NZ SER 440.A O no hydrogen 2.882 N/A LYS 475.A NZ THR 469.A OG1 no hydrogen 2.742 N/A LYS 475.A NZ GLN 472.A OE1 no hydrogen 2.966 N/A GLN 476.A N GLN 439.A OE1 no hydrogen 2.812 N/A LEU 478.A N GLN 464.A OE1 no hydrogen 2.884 N/A HIS 479.A NE2 ASN 508.A OD1 no hydrogen 2.716 N/A ILE 480.A N VAL 509.A O no hydrogen 2.810 N/A PHE 482.A N LEU 507.A O no hydrogen 2.923 N/A ALA 483.A N SER 534.A OG no hydrogen 3.045 N/A ILE 484.A N SER 505.A O no hydrogen 2.930 N/A GLU 485.A N ALA 528.A O no hydrogen 3.030 N/A TYR 487.A N VAL 526.A O no hydrogen 2.869 N/A ASP 488.A N LYS 492.A O no hydrogen 2.831 N/A GLU 490.A N ASP 488.A OD1 no hydrogen 2.948 N/A GLY 491.A N ASP 488.A O no hydrogen 2.917 N/A LYS 492.A N ASP 488.A OD1 no hydrogen 2.935 N/A ILE 494.A N LEU 486.A O no hydrogen 2.882 N/A LYS 498.A N HIS 501.A O no hydrogen 3.016 N/A LYS 498.A NZ ASP 519.A OD2.A no hydrogen 3.552 N/A GLY 499.A N ASP 519.A OD2.A no hydrogen 3.019 N/A GLY 499.A N ASP 519.A OD2.B no hydrogen 3.108 N/A HIS 501.A N LYS 498.A O no hydrogen 2.909 N/A VAL 503.A N LEU 496.A O no hydrogen 3.043 N/A VAL 506.A N ASN 504.A OD1 no hydrogen 3.016 N/A LEU 507.A N PHE 482.A O no hydrogen 2.922 N/A VAL 509.A N ILE 480.A O no hydrogen 2.975 N/A THR 510.A N GLN 514.A OE1 no hydrogen 2.933 N/A GLN 511.A N GLN 514.A OE1 no hydrogen 2.908 N/A GLN 514.A N ILE 462.A O no hydrogen 3.014 N/A GLN 514.A NE2 ILE 462.A O no hydrogen 3.184 N/A GLN 514.A NE2 GLN 511.A O no hydrogen 2.945 N/A PHE 516.A N LEU 460.A O no hydrogen 2.667 N/A PHE 518.A N TYR 458.A O no hydrogen 2.927 N/A ASP 519.A N.A GLN 497.A O no hydrogen 2.854 N/A ASP 519.A N.B GLN 497.A O no hydrogen 2.898 N/A ASN 520.A ND2 ASP 519.A OD1.B no hydrogen 3.300 N/A VAL 521.A N GLU 456.A O no hydrogen 2.973 N/A TYR 522.A OH ASN 520.A OD1 no hydrogen 2.572 N/A VAL 526.A N TYR 487.A O no hydrogen 2.902 N/A ALA 528.A N GLU 485.A O no hydrogen 2.756 N/A CYS 531.A N ALA 483.A O no hydrogen 2.937 N/A CYS 531.A SG ALA 483.A O no hydrogen 3.653 N/A CYS 531.A SG ALA 528.A O no hydrogen 3.718 N/A PHE 533.A N LEU 530.A O no hydrogen 2.958 N/A SER 534.A OG PRO 481.A O no hydrogen 2.589 N/A VAL 537.A N ALA 535.A O no hydrogen 2.937 N/A LYS 538.A N PRO 443.A O no hydrogen 3.018 N/A LYS 538.A NZ GLU 624.A OE1.A no hydrogen 3.209 N/A LYS 538.A NZ GLU 624.A OE2.B no hydrogen 3.387 N/A GLU 540.A N VAL 445.A O no hydrogen 2.745 N/A TYR 541.A OH ASP 449.A OD2 no hydrogen 2.542 N/A TRP 543.A N TYR 541.A O no hydrogen 2.970 N/A SER 544.A N GLN 547.A OE1 no hydrogen 2.858 N/A GLN 547.A N SER 544.A OG no hydrogen 2.996 N/A GLN 547.A NE2 TYR 541.A OH no hydrogen 3.379 N/A LEU 548.A N SER 544.A O no hydrogen 3.227 N/A THR 549.A N ASP 545.A O no hydrogen 2.967 N/A THR 549.A OG1 ASP 545.A O no hydrogen 3.473 N/A THR 549.A OG1 GLN 546.A O no hydrogen 3.276 N/A PHE 550.A N GLN 546.A O no hydrogen 2.935 N/A LEU 551.A N GLN 547.A O no hydrogen 3.022 N/A MET 552.A N LEU 548.A O no hydrogen 2.919 N/A ARG 553.A N THR 549.A O no hydrogen 3.125 N/A ARG 553.A N PHE 550.A O no hydrogen 2.985 N/A HIS 554.A N LEU 551.A O no hydrogen 3.311 N/A ALA 555.A N LEU 551.A O no hydrogen 2.915 N/A ARG 556.A N TYR 487.A OH no hydrogen 2.893 N/A SER 560.A N ASN 557.A O no hydrogen 3.009 N/A ARG 561.A N ASP 558.A O no hydrogen 3.075 N/A ARG 561.A NE ALA 555.A O no hydrogen 2.968 N/A ARG 561.A NH2 ALA 555.A O no hydrogen 3.460 N/A TRP 562.A N ASP 558.A O no hydrogen 3.192 N/A ASP 563.A N PHE 559.A O no hydrogen 2.809 N/A ALA 564.A N SER 560.A O no hydrogen 2.933 N/A ALA 565.A N ARG 561.A O no hydrogen 3.170 N/A GLN 566.A N TRP 562.A O no hydrogen 2.971 N/A GLN 566.A NE2 TRP 562.A O no hydrogen 3.411 N/A SER 567.A N ASP 563.A O no hydrogen 2.868 N/A SER 567.A OG ASP 563.A O no hydrogen 3.278 N/A LEU 568.A N ALA 564.A O no hydrogen 2.822 N/A LEU 569.A N ALA 565.A O no hydrogen 3.047 N/A ALA 570.A N GLN 566.A O no hydrogen 2.965 N/A TYR 572.A N LEU 569.A O no hydrogen 2.936 N/A TYR 572.A OH ASP 545.A OD2 no hydrogen 2.544 N/A ILE 573.A N LEU 569.A O no hydrogen 2.736 N/A LYS 574.A N ALA 570.A O no hydrogen 3.065 N/A LEU 575.A N THR 571.A O no hydrogen 3.008 N/A ASN 576.A N TYR 572.A O no hydrogen 2.998 N/A ASN 576.A ND2 TYR 572.A O no hydrogen 2.759 N/A ASN 576.A ND2 SER 587.A O no hydrogen 2.943 N/A VAL 577.A N ILE 573.A O no hydrogen 2.924 N/A ALA 578.A N LYS 574.A O no hydrogen 3.189 N/A ARG 579.A N LEU 575.A O no hydrogen 3.123 N/A ARG 579.A NE PRO 585.A O no hydrogen 2.885 N/A ARG 579.A NH2 PRO 585.A O no hydrogen 2.859 N/A HIS 580.A N ASN 576.A O no hydrogen 2.817 N/A GLN 581.A N VAL 577.A O no hydrogen 3.071 N/A GLN 581.A NE2 ASP 630.A OD2 no hydrogen 2.977 N/A GLN 582.A N ALA 578.A O no hydrogen 3.275 N/A GLN 582.A N ARG 579.A O no hydrogen 2.900 N/A GLY 583.A N HIS 580.A O no hydrogen 2.894 N/A GLN 584.A N ARG 579.A O no hydrogen 2.816 N/A SER 587.A N ASN 576.A OD1 no hydrogen 2.768 N/A HIS 591.A NE2 ASP 545.A OD2 no hydrogen 2.865 N/A VAL 592.A N PRO 589.A O no hydrogen 2.961 N/A ALA 593.A N PRO 589.A O no hydrogen 3.483 N/A ASP 594.A N VAL 590.A O no hydrogen 2.936 N/A ALA 595.A N HIS 591.A O no hydrogen 3.171 N/A ALA 595.A N VAL 592.A O no hydrogen 2.939 N/A PHE 596.A N VAL 592.A O no hydrogen 3.424 N/A PHE 596.A N ALA 593.A O no hydrogen 3.155 N/A ARG 597.A N ALA 593.A O no hydrogen 2.994 N/A ARG 597.A NE ASP 594.A OD1 no hydrogen 3.209 N/A ARG 597.A NH1 GLU 648.A O no hydrogen 3.119 N/A ARG 597.A NH1 GLU 652.A OE2 no hydrogen 2.955 N/A ARG 597.A NH2 ASP 594.A OD1 no hydrogen 3.140 N/A ARG 597.A NH2 GLU 648.A OE2.B no hydrogen 2.974 N/A ALA 598.A N ASP 594.A O no hydrogen 2.970 N/A VAL 599.A N PHE 596.A O no hydrogen 3.157 N/A LEU 600.A N PHE 596.A O no hydrogen 3.148 N/A LEU 601.A N ARG 597.A O no hydrogen 3.126 N/A ASP 602.A N VAL 599.A O no hydrogen 3.376 N/A LYS 604.A N ASP 602.A OD1 no hydrogen 2.861 N/A LYS 604.A NZ ASP 602.A OD1 no hydrogen 3.087 N/A ALA 608.A N ASP 606.A OD1 no hydrogen 2.953 N/A LEU 609.A N ASP 606.A O no hydrogen 3.001 N/A ALA 610.A N ASP 606.A O no hydrogen 3.101 N/A ALA 611.A N PRO 607.A O no hydrogen 2.934 N/A ILE 613.A N LEU 609.A O no hydrogen 3.111 N/A LEU 614.A N ALA 610.A O no hydrogen 3.009 N/A THR 615.A N GLU 612.A O no hydrogen 3.111 N/A THR 615.A OG1 ALA 611.A O no hydrogen 2.606 N/A SER 618.A N GLU 621.A OE2 no hydrogen 3.081 N/A GLU 621.A N SER 618.A OG no hydrogen 2.969 N/A MET 622.A N SER 618.A O no hydrogen 2.801 N/A ALA 623.A N VAL 619.A O no hydrogen 2.945 N/A GLU 624.A N ASN 620.A O no hydrogen 3.394 N/A LEU 625.A N MET 622.A O no hydrogen 2.930 N/A PHE 626.A N ALA 623.A O no hydrogen 3.085 N/A ILE 629.A N ARG 832.A O no hydrogen 2.694 N/A ILE 632.A N ASP 630.A OD1 no hydrogen 3.243 N/A ALA 633.A N ASP 630.A OD1 no hydrogen 3.195 N/A ILE 634.A N ASP 630.A O no hydrogen 3.000 N/A ALA 635.A N PRO 631.A O no hydrogen 3.010 N/A GLU 636.A N ILE 632.A O no hydrogen 3.049 N/A VAL 637.A N ALA 633.A O no hydrogen 2.788 N/A ARG 638.A N ILE 634.A O no hydrogen 2.829 N/A ARG 638.A NE PRO 617.A O no hydrogen 2.742 N/A ARG 638.A NH2 LEU 616.A O no hydrogen 2.910 N/A GLU 639.A N ALA 635.A O no hydrogen 2.990 N/A ALA 640.A N GLU 636.A O no hydrogen 2.891 N/A LEU 641.A N VAL 637.A O no hydrogen 2.850 N/A THR 642.A N ARG 638.A O no hydrogen 3.028 N/A THR 642.A OG1 ARG 638.A O no hydrogen 2.765 N/A ARG 643.A N GLU 639.A O no hydrogen 2.801 N/A ARG 643.A NE GLU 639.A OE2 no hydrogen 3.301 N/A ARG 643.A NH2 GLU 639.A OE2 no hydrogen 3.264 N/A THR 644.A N ALA 640.A O no hydrogen 2.830 N/A THR 644.A OG1 ALA 640.A O no hydrogen 3.040 N/A LEU 645.A N LEU 641.A O no hydrogen 2.930 N/A ALA 646.A N THR 642.A O no hydrogen 2.963 N/A THR 647.A N ARG 643.A O no hydrogen 2.931 N/A THR 647.A OG1 ARG 643.A O no hydrogen 2.979 N/A GLU 648.A N THR 644.A O no hydrogen 2.950 N/A LEU 649.A N LEU 645.A O no hydrogen 2.847 N/A ALA 650.A N THR 647.A O no hydrogen 3.509 N/A GLU 652.A N GLU 652.A OE1 no hydrogen 2.765 N/A LEU 653.A N LEU 649.A O no hydrogen 2.880 N/A LEU 654.A N ALA 650.A O no hydrogen 3.103 N/A ALA 655.A N ASP 651.A O no hydrogen 2.971 N/A ILE 656.A N GLU 652.A O no hydrogen 3.012 N/A TYR 657.A N LEU 653.A O no hydrogen 2.959 N/A TYR 657.A OH GLN 700.A OE1 no hydrogen 2.589 N/A ASN 658.A N LEU 654.A O no hydrogen 2.966 N/A ALA 659.A N ALA 655.A O no hydrogen 2.844 N/A ASN 660.A N ILE 656.A O no hydrogen 3.184 N/A ASN 660.A N TYR 657.A O no hydrogen 3.369 N/A ASN 660.A ND2 ILE 656.A O no hydrogen 2.814 N/A TYR 661.A N ASN 658.A O no hydrogen 3.128 N/A GLN 662.A NE2 ASP 671.A O no hydrogen 3.103 N/A TYR 665.A OH ASP 282.A OD1 no hydrogen 2.609 N/A ARG 666.A NH1 ASP 671.A OD2 no hydrogen 2.820 N/A ILE 672.A N GLU 668.A O no hydrogen 2.839 N/A ALA 673.A N HIS 669.A O no hydrogen 2.997 N/A LYS 674.A N GLU 670.A O no hydrogen 3.108 N/A ARG 675.A N ASP 671.A O no hydrogen 2.945 N/A ARG 675.A NE ASP 282.A OD2 no hydrogen 2.847 N/A ARG 675.A NH2 ASP 282.A OD1 no hydrogen 3.275 N/A ARG 675.A NH2 ASP 282.A OD2 no hydrogen 3.500 N/A ARG 675.A NH2 ARG 666.A O no hydrogen 3.050 N/A THR 676.A N ILE 672.A O no hydrogen 2.867 N/A THR 676.A OG1 ILE 672.A O no hydrogen 2.628 N/A LEU 677.A N ALA 673.A O no hydrogen 2.976 N/A ARG 678.A N LYS 674.A O no hydrogen 2.934 N/A ARG 678.A NE TYR 657.A O no hydrogen 3.059 N/A ASN 679.A N ARG 675.A O no hydrogen 2.833 N/A ASN 679.A ND2 ASP 709.A OD1 no hydrogen 2.951 N/A ALA 680.A N THR 676.A O no hydrogen 2.915 N/A CYS 681.A N LEU 677.A O no hydrogen 2.958 N/A CYS 681.A SG LEU 677.A O no hydrogen 3.357 N/A LEU 682.A N ARG 678.A O no hydrogen 2.966 N/A ARG 683.A N ASN 679.A O no hydrogen 3.100 N/A ARG 683.A N ALA 680.A O no hydrogen 3.280 N/A ARG 683.A NH1 THR 615.A OG1 no hydrogen 3.234 N/A LEU 685.A N CYS 681.A O no hydrogen 2.985 N/A ALA 686.A N LEU 682.A O no hydrogen 2.901 N/A PHE 687.A N PHE 684.A O no hydrogen 2.851 N/A GLY 688.A N LEU 685.A O no hydrogen 3.151 N/A HIS 691.A N GLU 689.A OE2 no hydrogen 2.914 N/A LEU 692.A N GLU 689.A OE1 no hydrogen 3.425 N/A ALA 693.A N GLU 689.A O no hydrogen 2.982 N/A ASP 694.A N THR 690.A O no hydrogen 2.999 N/A VAL 695.A N HIS 691.A O no hydrogen 3.175 N/A LEU 696.A N LEU 692.A O no hydrogen 2.957 N/A VAL 697.A N ALA 693.A O no hydrogen 2.914 N/A SER 698.A N ASP 694.A O no hydrogen 3.077 N/A LYS 699.A N VAL 695.A O no hydrogen 2.912 N/A GLN 700.A N LEU 696.A O no hydrogen 2.975 N/A GLN 700.A NE2 ASN 679.A OD1 no hydrogen 2.964 N/A GLN 700.A NE2 ASP 709.A O no hydrogen 2.932 N/A PHE 701.A N VAL 697.A O no hydrogen 3.002 N/A HIS 702.A N SER 698.A O no hydrogen 2.947 N/A HIS 702.A NE2 GLU 731.A OE1 no hydrogen 2.765 N/A GLU 703.A N LYS 699.A O no hydrogen 2.844 N/A ASN 705.A ND2 SER 663.A O no hydrogen 2.884 N/A ASN 706.A ND2 ASN 705.A OD1 no hydrogen 3.024 N/A ASN 706.A ND2 ASP 709.A OD2 no hydrogen 3.049 N/A MET 707.A N THR 277.A O no hydrogen 3.025 N/A ASP 709.A N ASN 706.A OD1 no hydrogen 2.819 N/A ALA 710.A N ASN 706.A O no hydrogen 3.167 N/A LEU 711.A N MET 707.A O no hydrogen 2.749 N/A ALA 712.A N THR 708.A O no hydrogen 3.047 N/A ALA 713.A N ASP 709.A O no hydrogen 3.250 N/A LEU 714.A N ALA 710.A O no hydrogen 2.919 N/A SER 715.A N LEU 711.A O no hydrogen 2.750 N/A SER 715.A OG.B LEU 711.A O no hydrogen 2.596 N/A ALA 716.A N ALA 712.A O no hydrogen 3.113 N/A ALA 717.A N ALA 713.A O no hydrogen 3.034 N/A VAL 718.A N LEU 714.A O no hydrogen 3.098 N/A ALA 719.A N SER 715.A O no hydrogen 2.877 N/A ALA 720.A N ALA 716.A O no hydrogen 2.944 N/A GLN 721.A N VAL 718.A O no hydrogen 3.128 N/A LEU 722.A N ALA 717.A O no hydrogen 2.960 N/A CYS 724.A N ASP 694.A OD1 no hydrogen 2.806 N/A CYS 724.A SG ASP 694.A OD1 no hydrogen 3.255 N/A ARG 725.A N LEU 722.A O no hydrogen 2.965 N/A ARG 725.A NE ASP 726.A OD1 no hydrogen 3.024 N/A ARG 725.A NH2 ASP 726.A OD1 no hydrogen 2.848 N/A LEU 728.A N CYS 724.A O no hydrogen 2.986 N/A MET 729.A N ARG 725.A O no hydrogen 2.862 N/A GLN 730.A N ASP 726.A O no hydrogen 3.048 N/A GLN 730.A NE2 ASP 734.A OD1 no hydrogen 3.005 N/A GLU 731.A N ALA 727.A O no hydrogen 2.939 N/A TYR 732.A N LEU 728.A O no hydrogen 3.080 N/A TYR 732.A OH VAL 742.A O no hydrogen 2.723 N/A ASP 733.A N MET 729.A O no hydrogen 3.106 N/A ASP 734.A N GLN 730.A O no hydrogen 2.851 N/A LYS 735.A N GLU 731.A O no hydrogen 3.081 N/A TRP 736.A N TYR 732.A O no hydrogen 2.821 N/A TRP 736.A N ASP 733.A O no hydrogen 3.074 N/A HIS 737.A N ASP 733.A O no hydrogen 2.858 N/A GLN 738.A NE2 LYS 735.A O no hydrogen 3.087 N/A ASN 739.A N TRP 736.A O no hydrogen 2.826 N/A VAL 742.A N ASN 739.A OD1 no hydrogen 3.196 N/A MET 743.A N ASN 739.A O no hydrogen 2.855 N/A ASP 744.A N GLY 740.A O no hydrogen 2.826 N/A LYS 745.A N VAL 742.A O no hydrogen 3.114 N/A LYS 745.A NZ ASP 284.A OD2 no hydrogen 2.677 N/A TRP 746.A NE1 MET 729.A O no hydrogen 2.916 N/A PHE 747.A N MET 743.A O no hydrogen 2.751 N/A ILE 748.A N ASP 744.A O no hydrogen 3.044 N/A LEU 749.A N LYS 745.A O no hydrogen 3.155 N/A GLN 750.A N TRP 746.A O no hydrogen 2.869 N/A ALA 751.A N PHE 747.A O no hydrogen 2.823 N/A THR 752.A N ILE 748.A O no hydrogen 2.909 N/A THR 752.A OG1 ILE 748.A O no hydrogen 2.696 N/A SER 753.A N GLN 750.A O no hydrogen 3.287 N/A ALA 755.A N SER 753.A OG no hydrogen 3.060 N/A VAL 758.A N ALA 755.A O no hydrogen 3.170 N/A THR 761.A N ASN 757.A O no hydrogen 3.011 N/A THR 761.A OG1 ASN 757.A O no hydrogen 3.193 N/A VAL 762.A N VAL 758.A O no hydrogen 2.792 N/A ARG 763.A N LEU 759.A O no hydrogen 2.879 N/A ARG 763.A NH1 GLU 807.A OE1.A no hydrogen 3.127 N/A ARG 763.A NH1 GLU 807.A OE1.B no hydrogen 2.783 N/A ARG 763.A NH2 GLU 807.A OE2.A no hydrogen 2.799 N/A GLY 764.A N GLU 760.A O no hydrogen 3.150 N/A LEU 765.A N THR 761.A O no hydrogen 2.977 N/A LEU 766.A N ARG 763.A O no hydrogen 3.062 N/A GLN 767.A N GLY 764.A O no hydrogen 3.047 N/A HIS 768.A N LEU 765.A O no hydrogen 2.973 N/A HIS 768.A NE2 ASP 733.A OD2 no hydrogen 2.867 N/A ARG 769.A NH2 ASP 733.A OD1 no hydrogen 2.968 N/A SER 770.A N HIS 768.A ND1 no hydrogen 3.018 N/A SER 770.A OG HIS 737.A O no hydrogen 2.719 N/A PHE 771.A N HIS 768.A O no hydrogen 2.915 N/A THR 772.A OG1 SER 774.A OG no hydrogen 2.825 N/A SER 774.A N THR 772.A OG1 no hydrogen 3.118 N/A SER 774.A OG THR 772.A OG1 no hydrogen 2.825 N/A ASN 775.A N THR 772.A O no hydrogen 3.322 N/A ASN 775.A ND2 ASP 253.A O no hydrogen 3.401 N/A ASN 777.A ND2 ASN 269.A OD1 no hydrogen 2.828 N/A ARG 778.A N ASN 775.A OD1 no hydrogen 3.243 N/A ARG 778.A NE ASP 744.A OD1 no hydrogen 2.550 N/A ARG 778.A NH2 ASP 744.A OD2 no hydrogen 2.852 N/A ILE 779.A N ASN 775.A O no hydrogen 3.097 N/A ARG 780.A N PRO 776.A O no hydrogen 2.916 N/A SER 781.A N ASN 777.A O no hydrogen 2.906 N/A SER 781.A OG.A ASN 777.A O no hydrogen 2.707 N/A SER 781.A OG.B ASP 744.A OD1 no hydrogen 2.973 N/A SER 781.A OG.B ASN 777.A O no hydrogen 3.264 N/A SER 781.A OG.B ARG 778.A O no hydrogen 3.083 N/A LEU 782.A N ARG 778.A O no hydrogen 3.086 N/A LEU 782.A N ILE 779.A O no hydrogen 3.355 N/A ILE 783.A N ILE 779.A O no hydrogen 2.852 N/A GLY 784.A N ILE 779.A O no hydrogen 3.092 N/A ALA 785.A N ARG 780.A O no hydrogen 2.958 N/A PHE 786.A N LEU 782.A O no hydrogen 3.314 N/A ALA 787.A N ILE 783.A O no hydrogen 3.173 N/A GLY 788.A N GLY 784.A O no hydrogen 2.848 N/A SER 789.A N ALA 785.A O no hydrogen 2.845 N/A ASN 790.A N PHE 786.A O no hydrogen 2.905 N/A ASN 790.A ND2 ALA 751.A O no hydrogen 3.009 N/A ASN 790.A ND2 SER 753.A O no hydrogen 3.319 N/A ALA 793.A N ASN 790.A OD1 no hydrogen 3.172 N/A PHE 794.A N ASN 790.A O no hydrogen 2.863 N/A HIS 795.A N PRO 791.A O no hydrogen 2.840 N/A HIS 795.A ND1 TYR 802.A OH no hydrogen 2.695 N/A ALA 796.A N ALA 793.A O no hydrogen 3.097 N/A GLY 799.A N ALA 796.A O no hydrogen 2.862 N/A SER 800.A N ASP 798.A OD1 no hydrogen 2.985 N/A SER 800.A OG ASP 798.A OD1 no hydrogen 2.644 N/A SER 800.A OG ASP 798.A OD2 no hydrogen 3.404 N/A TYR 802.A OH HIS 795.A ND1 no hydrogen 2.695 N/A LEU 803.A N GLY 799.A O no hydrogen 3.323 N/A PHE 804.A N SER 800.A O no hydrogen 3.105 N/A LEU 805.A N GLY 801.A O no hydrogen 2.999 N/A VAL 806.A N TYR 802.A O no hydrogen 2.842 N/A GLU 807.A N LEU 803.A O no hydrogen 3.168 N/A MET 808.A N PHE 804.A O no hydrogen 3.056 N/A LEU 809.A N LEU 805.A O no hydrogen 2.857 N/A THR 810.A N VAL 806.A O no hydrogen 2.854 N/A THR 810.A N GLU 807.A O no hydrogen 3.252 N/A THR 810.A OG1 VAL 806.A O no hydrogen 2.918 N/A ASP 811.A N GLU 807.A O no hydrogen 3.431 N/A LEU 812.A N MET 808.A O no hydrogen 2.958 N/A ASN 813.A N LEU 809.A O no hydrogen 2.874 N/A ASN 813.A ND2 ASN 853.A O no hydrogen 3.021 N/A SER 814.A N ASP 811.A O no hydrogen 3.252 N/A ARG 815.A N ASP 811.A O no hydrogen 3.355 N/A ARG 815.A NE ASP 811.A OD1 no hydrogen 2.875 N/A ARG 815.A NH2 ASP 811.A OD1 no hydrogen 3.565 N/A ARG 815.A NH2 ASP 811.A OD2 no hydrogen 3.123 N/A ASN 816.A N LEU 812.A O no hydrogen 2.753 N/A ASN 816.A ND2 ASN 256.A OD1 no hydrogen 2.985 N/A VAL 819.A N ASN 816.A OD1 no hydrogen 3.389 N/A ALA 820.A N ASN 816.A O no hydrogen 3.048 N/A SER 821.A N PRO 817.A O no hydrogen 2.928 N/A SER 821.A OG ASN 371.A OD1 no hydrogen 2.638 N/A ARG 822.A N GLN 818.A O no hydrogen 3.181 N/A LEU 823.A N VAL 819.A O no hydrogen 3.048 N/A ILE 824.A N ALA 820.A O no hydrogen 2.980 N/A GLU 825.A N ARG 822.A O no hydrogen 3.435 N/A LEU 827.A N ILE 824.A O no hydrogen 2.897 N/A ILE 828.A N GLU 825.A O no hydrogen 3.039 N/A ARG 829.A N PRO 826.A O no hydrogen 3.468 N/A LYS 831.A NZ ALA 867.A O no hydrogen 3.228 N/A ARG 832.A N ARG 829.A O no hydrogen 2.903 N/A ARG 832.A NE.A ASP 627.A O no hydrogen 3.513 N/A ARG 832.A NH1.B PHE 626.A O no hydrogen 2.992 N/A ARG 832.A NH2.A PHE 626.A O no hydrogen 2.970 N/A ARG 832.A NH2.B PHE 626.A O no hydrogen 2.768 N/A TYR 833.A N LEU 830.A O no hydrogen 3.039 N/A ARG 837.A N ASP 834.A OD1 no hydrogen 2.945 N/A ARG 837.A NE HIS 795.A O no hydrogen 2.973 N/A ARG 837.A NH2 HIS 795.A O no hydrogen 2.974 N/A GLN 838.A N ASP 834.A O no hydrogen 2.844 N/A GLN 838.A NE2 TYR 833.A O no hydrogen 3.144 N/A GLU 839.A N ALA 835.A O no hydrogen 2.971 N/A LYS 840.A N LYS 836.A O no hydrogen 3.446 N/A MET 841.A N ARG 837.A O no hydrogen 2.978 N/A ARG 842.A N GLN 838.A O no hydrogen 2.823 N/A ARG 842.A NH1 GLN 838.A OE1 no hydrogen 2.945 N/A ARG 842.A NH2 GLN 838.A OE1 no hydrogen 3.470 N/A ALA 843.A N GLU 839.A O no hydrogen 3.184 N/A ALA 844.A N LYS 840.A O no hydrogen 3.010 N/A LEU 845.A N MET 841.A O no hydrogen 2.898 N/A GLU 846.A N ARG 842.A O no hydrogen 2.787 N/A GLN 847.A N ALA 843.A O no hydrogen 2.972 N/A LEU 848.A N ALA 844.A O no hydrogen 3.216 N/A LYS 849.A N LEU 845.A O no hydrogen 2.810 N/A GLY 850.A N GLU 846.A O no hydrogen 3.239 N/A GLY 850.A N GLN 847.A O no hydrogen 3.087 N/A LEU 851.A N LEU 848.A O no hydrogen 2.991 N/A SER 855.A N ASN 813.A OD1 no hydrogen 2.833 N/A SER 855.A OG ASN 813.A OD1 no hydrogen 2.635 N/A LEU 858.A N SER 855.A OG no hydrogen 3.369 N/A TYR 859.A N SER 855.A O no hydrogen 3.029 N/A GLU 860.A N GLY 856.A O no hydrogen 2.970 N/A LYS 861.A NZ SER 821.A O no hydrogen 2.817 N/A LYS 861.A NZ SER 821.A OG no hydrogen 2.949 N/A LYS 861.A NZ GLU 825.A OE1 no hydrogen 2.789 N/A ILE 862.A N LEU 858.A O no hydrogen 2.790 N/A THR 863.A N TYR 859.A O no hydrogen 2.975 N/A THR 863.A OG1.A TYR 859.A O no hydrogen 2.721 N/A THR 863.A OG1.A GLU 860.A O no hydrogen 3.557 N/A THR 863.A OG1.B TYR 859.A O no hydrogen 2.691 N/A LYS 864.A N GLU 860.A O no hydrogen 3.341 N/A ALA 865.A N LYS 861.A O no hydrogen 2.987 N/A LEU 866.A N ILE 862.A O no hydrogen 3.083 N/A ALA 867.A N THR 863.A O no hydrogen 3.185 N/A