Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q3q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N GLY 479.A O no hydrogen 2.709 N/A ALA 6.A N SER 4.A OG no hydrogen 3.092 N/A ALA 7.A N SER 4.A O no hydrogen 3.010 N/A LYS 11.A N ASP 307.A O no hydrogen 2.860 N/A LYS 11.A NZ ALA 257.A O no hydrogen 2.498 N/A LEU 12.A N ASP 307.A O no hydrogen 3.223 N/A ILE 13.A N ASP 260.A O no hydrogen 3.034 N/A VAL 14.A N VAL 309.A O no hydrogen 2.815 N/A ALA 15.A N ILE 262.A O no hydrogen 2.943 N/A ILE 16.A N VAL 311.A O no hydrogen 2.835 N/A SER 17.A N ILE 264.A O no hydrogen 2.906 N/A SER 17.A OG HIS 63.A NE2 no hydrogen 2.949 N/A VAL 18.A N THR 313.A O no hydrogen 2.773 N/A ASP 19.A N LEU 266.A O no hydrogen 2.926 N/A GLN 20.A N ASP 315.A OD1 no hydrogen 2.956 N/A GLN 20.A NE2 ASP 270.A OD1 no hydrogen 2.651 N/A PHE 21.A N VAL 18.A O no hydrogen 3.162 N/A SER 22.A N GLN 20.A O no hydrogen 2.953 N/A ALA 23.A N ARG 470.A O.A no hydrogen 3.063 N/A ALA 23.A N ARG 470.A O.B no hydrogen 2.809 N/A LEU 25.A N SER 22.A OG no hydrogen 3.027 N/A PHE 26.A N SER 22.A O no hydrogen 2.820 N/A SER 27.A N ALA 23.A O no hydrogen 2.759 N/A SER 27.A OG ALA 23.A O no hydrogen 2.932 N/A GLU 28.A N ASP 24.A O no hydrogen 3.013 N/A TYR 29.A N LEU 25.A O no hydrogen 3.337 N/A ARG 30.A NH1 GLU 484.A OE1 no hydrogen 3.512 N/A ARG 30.A NH1 GLU 484.A OE2 no hydrogen 3.026 N/A ARG 30.A NH2 GLU 484.A OE1 no hydrogen 2.681 N/A TYR 32.A N TYR 29.A O no hydrogen 2.853 N/A TYR 33.A N ARG 30.A O no hydrogen 3.359 N/A TYR 33.A OH PHE 26.A O no hydrogen 2.855 N/A THR 34.A N ASP 291.A OD2 no hydrogen 2.686 N/A GLY 35.A N ASP 291.A OD1 no hydrogen 2.960 N/A GLY 35.A N ASP 291.A OD2 no hydrogen 2.979 N/A GLY 36.A N ASP 291.A O no hydrogen 2.910 N/A LEU 37.A N ASP 291.A OD1 no hydrogen 2.897 N/A ARG 39.A N GLY 35.A O no hydrogen 3.148 N/A ARG 39.A NH1 ASP 302.A OD1 no hydrogen 3.431 N/A ARG 39.A NH1 ASP 302.A OD2 no hydrogen 2.716 N/A ARG 39.A NH2 ASP 302.A OD2 no hydrogen 3.019 N/A LEU 40.A N GLY 36.A O no hydrogen 3.186 N/A THR 41.A N LEU 37.A O no hydrogen 2.978 N/A THR 41.A OG1 LEU 37.A O no hydrogen 3.089 N/A THR 41.A OG1 LYS 38.A O no hydrogen 3.431 N/A SER 42.A N LYS 38.A O no hydrogen 2.930 N/A SER 42.A OG LYS 38.A O no hydrogen 2.779 N/A GLU 43.A N ARG 39.A O no hydrogen 3.053 N/A GLY 44.A N LEU 40.A O no hydrogen 2.995 N/A ALA 45.A N PHE 475.A O no hydrogen 2.832 N/A VAL 46.A N PHE 483.A O no hydrogen 2.916 N/A PHE 47.A N ILE 473.A O no hydrogen 2.918 N/A ARG 49.A NE.A TYR 51.A OH no hydrogen 2.711 N/A TYR 51.A OH ASP 466.A OD1 no hydrogen 2.799 N/A GLN 52.A N ARG 469.A O no hydrogen 2.829 N/A GLN 52.A NE2 GLY 62.A O no hydrogen 3.070 N/A GLN 52.A NE2 ALA 314.A O no hydrogen 2.961 N/A SER 53.A OG GLU 490.A OE2 no hydrogen 2.533 N/A ALA 55.A N GLU 425.A O no hydrogen 3.004 N/A ALA 56.A N SER 429.A OG no hydrogen 3.305 N/A THR 57.A N ALA 55.A O no hydrogen 2.927 N/A THR 57.A OG1 SER 463.A O no hydrogen 2.620 N/A GLU 58.A N ALA 56.A O no hydrogen 2.726 N/A THR 59.A OG1 ASP 315.A OD2 no hydrogen 3.272 N/A CYS 60.A N ASN 80.A OD1 no hydrogen 2.826 N/A GLY 62.A N GLU 58.A O no hydrogen 3.036 N/A HIS 63.A N THR 59.A O no hydrogen 2.875 N/A HIS 63.A ND1 THR 59.A O no hydrogen 2.955 N/A SER 64.A N CYS 60.A O no hydrogen 2.956 N/A SER 64.A OG PRO 61.A O no hydrogen 2.655 N/A SER 64.A OG THR 75.A OG1 no hydrogen 2.986 N/A THR 65.A N GLY 62.A O no hydrogen 3.197 N/A THR 65.A OG1 GLN 52.A OE1 no hydrogen 2.875 N/A THR 65.A OG1 GLY 62.A O no hydrogen 2.848 N/A THR 65.A OG1 THR 491.A OG1 no hydrogen 2.867 N/A ILE 66.A N HIS 63.A O no hydrogen 3.331 N/A THR 68.A N THR 65.A O no hydrogen 3.459 N/A THR 68.A OG1 SER 64.A O no hydrogen 2.539 N/A THR 68.A OG1 SER 70.A O no hydrogen 3.374 N/A SER 70.A N THR 68.A OG1 no hydrogen 3.097 N/A SER 70.A OG THR 68.A O no hydrogen 2.903 N/A ARG 71.A N ASP 512.A OD2 no hydrogen 2.887 N/A ARG 71.A NE GLU 490.A OE2 no hydrogen 2.942 N/A ARG 71.A NH1 PRO 413.A O no hydrogen 2.894 N/A ARG 71.A NH2 PRO 413.A O no hydrogen 3.058 N/A ARG 71.A NH2 GLU 490.A OE1 no hydrogen 2.925 N/A ARG 71.A NH2 GLU 490.A OE2 no hydrogen 3.410 N/A SER 73.A N ALA 428.A O no hydrogen 3.018 N/A SER 73.A OG ALA 428.A O no hydrogen 3.448 N/A ARG 74.A N ARG 71.A O no hydrogen 2.751 N/A ARG 74.A NE ASP 512.A OD2 no hydrogen 3.032 N/A ARG 74.A NH1 ASP 509.A O no hydrogen 3.325 N/A ARG 74.A NH2 ASP 512.A OD1 no hydrogen 3.073 N/A THR 75.A N ARG 71.A O no hydrogen 2.873 N/A THR 75.A OG1 SER 64.A OG no hydrogen 2.986 N/A GLY 76.A N PRO 72.A O no hydrogen 2.912 N/A ILE 77.A N THR 75.A OG1 no hydrogen 3.039 N/A ASN 80.A N GLU 58.A OE1 no hydrogen 2.856 N/A TRP 82.A N LEU 94.A O no hydrogen 3.076 N/A ASP 84.A N LYS 92.A O no hydrogen 2.872 N/A ASP 86.A N ASP 84.A OD1 no hydrogen 2.928 N/A ALA 87.A N ASP 84.A O no hydrogen 2.883 N/A ARG 89.A NE ASP 91.A O no hydrogen 2.959 N/A ARG 89.A NH1 GLU 98.A OE1 no hydrogen 2.874 N/A ARG 89.A NH1 SER 105.A OG no hydrogen 2.941 N/A ARG 89.A NH2 ASN 93.A O no hydrogen 2.821 N/A ARG 89.A NH2 GLU 98.A OE2 no hydrogen 2.814 N/A LYS 92.A NZ ALA 87.A O no hydrogen 2.917 N/A LYS 92.A NZ ARG 89.A O no hydrogen 2.778 N/A ASN 93.A N ASP 91.A OD1 no hydrogen 2.879 N/A ASN 93.A ND2 ASN 81.A OD1 no hydrogen 3.059 N/A ASN 93.A ND2 SER 107.A OG no hydrogen 3.221 N/A LEU 94.A N TRP 82.A O no hydrogen 2.810 N/A TYR 95.A N GLU 98.A OE2 no hydrogen 2.958 N/A TYR 95.A OH ASP 142.A OD1 no hydrogen 2.672 N/A CYS 96.A N ASN 80.A O no hydrogen 2.867 N/A GLU 98.A N TYR 95.A O no hydrogen 3.361 N/A ASP 99.A N GLU 111.A O no hydrogen 3.056 N/A GLU 100.A N GLU 100.A OE1 no hydrogen 2.627 N/A SER 101.A N ASP 99.A OD1 no hydrogen 2.945 N/A SER 101.A OG ASP 99.A OD1 no hydrogen 2.646 N/A SER 101.A OG ASP 99.A OD2 no hydrogen 3.429 N/A GLN 102.A N ASP 99.A O no hydrogen 3.219 N/A GLN 102.A NE2 ASP 99.A OD2 no hydrogen 2.726 N/A SER 105.A N GLN 102.A O no hydrogen 3.238 N/A SER 105.A OG GLU 100.A O no hydrogen 3.270 N/A SER 105.A OG GLN 102.A O no hydrogen 2.640 N/A SER 106.A N LYS 109.A O no hydrogen 3.064 N/A SER 107.A N ASP 91.A OD2 no hydrogen 2.897 N/A SER 107.A OG ASP 91.A OD2 no hydrogen 2.544 N/A ASP 108.A N SER 106.A OG no hydrogen 3.119 N/A LYS 109.A N SER 106.A O no hydrogen 2.984 N/A LYS 109.A N SER 106.A OG no hydrogen 3.194 N/A TYR 110.A OH ASP 142.A OD2 no hydrogen 2.535 N/A SER 113.A N ALA 97.A O no hydrogen 2.969 N/A LEU 115.A N SER 113.A OG no hydrogen 2.902 N/A HIS 116.A ND1 CYS 96.A O no hydrogen 2.777 N/A HIS 116.A NE2 GLU 100.A OE1 no hydrogen 2.736 N/A LEU 117.A N PRO 114.A O no hydrogen 2.976 N/A LYS 118.A N THR 75.A O no hydrogen 2.923 N/A THR 121.A OG1 GLY 149.A O no hydrogen 3.006 N/A LEU 122.A N LEU 67.A O no hydrogen 2.686 N/A GLY 124.A N THR 121.A OG1 no hydrogen 3.198 N/A ARG 125.A N THR 121.A O no hydrogen 2.821 N/A ARG 125.A NH1 GLN 510.A OE1 no hydrogen 3.306 N/A ARG 125.A NH2 GLN 510.A OE1 no hydrogen 3.115 N/A MET 126.A N LEU 122.A O no hydrogen 2.796 N/A LYS 127.A N GLY 123.A O no hydrogen 2.923 N/A LYS 127.A NZ THR 152.A O no hydrogen 3.001 N/A LYS 127.A NZ ASP 154.A OD1 no hydrogen 2.913 N/A LYS 127.A NZ ASP 154.A OD2 no hydrogen 2.580 N/A ALA 128.A N GLY 124.A O no hydrogen 2.981 N/A ALA 129.A N ARG 125.A O no hydrogen 3.085 N/A ASN 130.A N MET 126.A O no hydrogen 2.775 N/A ALA 132.A N ASN 130.A OD1 no hydrogen 3.037 N/A THR 133.A N ASN 130.A O no hydrogen 2.962 N/A THR 133.A OG1 MET 126.A O no hydrogen 3.503 N/A THR 133.A OG1 ASN 130.A O no hydrogen 2.731 N/A ARG 134.A N ASP 260.A OD1 no hydrogen 2.953 N/A ARG 134.A NE ASP 260.A OD1 no hydrogen 2.942 N/A ARG 134.A NH1 MET 251.A O no hydrogen 2.916 N/A ARG 134.A NH2 MET 251.A O no hydrogen 3.219 N/A ARG 134.A NH2 GLN 252.A O no hydrogen 3.213 N/A ARG 134.A NH2 ASP 260.A OD2 no hydrogen 2.937 N/A VAL 135.A N ASP 154.A OD2 no hydrogen 2.690 N/A VAL 136.A N ILE 261.A O no hydrogen 2.998 N/A SER 137.A N GLN 155.A O no hydrogen 2.860 N/A SER 137.A OG ALA 145.A O no hydrogen 2.718 N/A SER 137.A OG SER 263.A OG no hydrogen 2.735 N/A VAL 138.A N SER 263.A O no hydrogen 2.963 N/A ALA 139.A N TRP 157.A O no hydrogen 2.972 N/A GLY 140.A N GLY 265.A O no hydrogen 3.036 N/A LYS 141.A NZ ASP 19.A OD2 no hydrogen 2.897 N/A LYS 141.A NZ THR 59.A OG1 no hydrogen 3.365 N/A LYS 141.A NZ ASP 270.A OD2 no hydrogen 2.729 N/A ARG 143.A NH1 TYR 95.A OH no hydrogen 2.697 N/A ALA 145.A N LYS 141.A O no hydrogen 3.281 N/A ILE 146.A N ASP 142.A O no hydrogen 2.857 N/A MET 147.A N ARG 143.A O no hydrogen 3.080 N/A MET 148.A N ALA 144.A O no hydrogen 3.200 N/A GLY 149.A N ALA 145.A O no hydrogen 3.015 N/A GLY 150.A N ILE 146.A O no hydrogen 2.969 N/A ALA 153.A N GLY 150.A O no hydrogen 3.340 N/A ASP 154.A N VAL 135.A O no hydrogen 2.814 N/A GLN 155.A N VAL 135.A O no hydrogen 3.245 N/A TRP 157.A N SER 137.A O no hydrogen 2.813 N/A TRP 157.A NE1 GLN 155.A OE1 no hydrogen 2.885 N/A TRP 158.A N VAL 166.A O no hydrogen 2.975 N/A LEU 159.A N ALA 139.A O no hydrogen 3.182 N/A GLY 160.A N GLY 164.A O no hydrogen 2.851 N/A GLN 163.A N GLN 163.A OE1 no hydrogen 2.655 N/A GLY 164.A N GLY 161.A O no hydrogen 2.819 N/A TYR 165.A N ASN 181.A OD1 no hydrogen 2.699 N/A TYR 165.A OH THR 240.A OG1 no hydrogen 2.757 N/A VAL 166.A N TRP 158.A O no hydrogen 2.814 N/A SER 167.A OG VAL 156.A O no hydrogen 2.696 N/A TYR 168.A N SER 167.A OG no hydrogen 2.634 N/A VAL 171.A N TYR 168.A O no hydrogen 3.094 N/A VAL 177.A N THR 174.A OG1 no hydrogen 3.180 N/A THR 178.A N THR 174.A O no hydrogen 2.909 N/A THR 178.A OG1 PRO 175.A O no hydrogen 3.004 N/A GLN 179.A N PRO 175.A O no hydrogen 3.030 N/A VAL 180.A N LEU 176.A O no hydrogen 2.837 N/A ASN 181.A N VAL 177.A O no hydrogen 2.783 N/A ASN 181.A ND2 TYR 165.A O no hydrogen 3.077 N/A GLN 182.A N THR 178.A O no hydrogen 2.819 N/A ALA 183.A N GLN 179.A O no hydrogen 3.082 N/A PHE 184.A N VAL 180.A O no hydrogen 2.880 N/A ALA 185.A N ASN 181.A O no hydrogen 2.848 N/A GLN 186.A N GLN 182.A O no hydrogen 2.953 N/A ARG 187.A N ALA 183.A O no hydrogen 2.948 N/A LEU 188.A N PHE 184.A O no hydrogen 2.922 N/A ALA 189.A N ALA 185.A O no hydrogen 3.150 N/A GLN 190.A N ARG 187.A O no hydrogen 3.167 N/A ASN 192.A N ARG 222.A O no hydrogen 3.029 N/A GLY 194.A N ASN 192.A OD1 no hydrogen 2.755 N/A PHE 195.A N ARG 219.A O no hydrogen 2.920 N/A LEU 197.A N GLU 196.A OE2 no hydrogen 2.966 N/A GLN 200.A N GLN 200.A OE1 no hydrogen 2.703 N/A CYS 201.A N PRO 198.A O no hydrogen 2.795 N/A VAL 202.A N ALA 199.A O no hydrogen 3.318 N/A SER 203.A OG GLN 200.A O no hydrogen 3.425 N/A LYS 204.A N CYS 201.A O no hydrogen 2.955 N/A LYS 204.A NZ GLU 28.A OE2 no hydrogen 2.559 N/A LYS 204.A NZ TYR 29.A OH no hydrogen 3.070 N/A LYS 204.A NZ GLU 279.A O no hydrogen 3.242 N/A LYS 204.A NZ GLU 279.A OE1 no hydrogen 2.966 N/A ASP 205.A N VAL 202.A O no hydrogen 3.252 N/A PHE 206.A N LYS 204.A O no hydrogen 3.008 N/A VAL 208.A N VAL 215.A O no hydrogen 2.673 N/A ALA 210.A N ARG 213.A O no hydrogen 2.806 N/A ASN 212.A N ALA 453.A O no hydrogen 2.968 N/A ARG 213.A N ALA 210.A O no hydrogen 3.011 N/A ARG 213.A NH1 THR 275.A O no hydrogen 2.814 N/A ARG 213.A NH1 GLY 456.A O no hydrogen 2.650 N/A ARG 213.A NH2 THR 275.A O no hydrogen 3.034 N/A VAL 215.A N VAL 208.A O no hydrogen 2.888 N/A GLY 216.A N GLU 282.A OE2 no hydrogen 2.911 N/A GLY 218.A N GLU 282.A OE2 no hydrogen 2.947 N/A ARG 222.A N ASN 192.A O no hydrogen 2.960 N/A ARG 222.A NE GLU 235.A OE1 no hydrogen 2.690 N/A ARG 222.A NH1 LEU 188.A O no hydrogen 3.111 N/A ARG 222.A NH1 ASP 223.A O no hydrogen 3.108 N/A ARG 222.A NH2 ARG 187.A O no hydrogen 2.925 N/A ARG 222.A NH2 GLU 235.A OE2 no hydrogen 2.899 N/A GLY 225.A N LEU 188.A O no hydrogen 2.911 N/A ASP 226.A N ASP 223.A O no hydrogen 3.247 N/A GLY 229.A N ASP 226.A OD1 no hydrogen 3.009 N/A PHE 230.A N ASP 226.A O no hydrogen 2.965 N/A ARG 231.A N TYR 227.A O no hydrogen 2.817 N/A ILE 232.A N LYS 228.A O no hydrogen 2.975 N/A SER 233.A OG GLY 229.A O no hydrogen 3.454 N/A SER 233.A OG PHE 230.A O no hydrogen 2.864 N/A GLU 235.A N SER 233.A OG no hydrogen 3.121 N/A GLN 236.A N SER 233.A O no hydrogen 3.451 N/A GLN 236.A NE2 ARG 231.A O no hydrogen 2.837 N/A ALA 238.A N PRO 234.A O no hydrogen 3.153 N/A MET 239.A N GLU 235.A O no hydrogen 3.089 N/A THR 240.A N GLN 236.A O no hydrogen 2.903 N/A THR 240.A OG1 TYR 165.A OH no hydrogen 2.757 N/A THR 240.A OG1 GLN 236.A O no hydrogen 3.060 N/A LEU 241.A N ASP 237.A O no hydrogen 2.912 N/A ALA 242.A N ALA 238.A O no hydrogen 3.005 N/A PHE 243.A N MET 239.A O no hydrogen 2.880 N/A ALA 244.A N THR 240.A O no hydrogen 2.913 N/A ALA 245.A N LEU 241.A O no hydrogen 2.890 N/A ALA 246.A N ALA 242.A O no hydrogen 2.883 N/A ALA 247.A N PHE 243.A O no hydrogen 2.804 N/A ILE 248.A N ALA 244.A O no hydrogen 2.864 N/A GLU 249.A N ALA 245.A O no hydrogen 3.067 N/A ASN 250.A N ALA 246.A O no hydrogen 2.858 N/A MET 251.A N ALA 247.A O no hydrogen 2.922 N/A GLN 252.A N GLU 249.A O no hydrogen 3.234 N/A LEU 253.A N ILE 248.A O no hydrogen 2.977 N/A GLY 254.A N ASP 260.A OD2 no hydrogen 2.903 N/A LYS 255.A N GLN 252.A O no hydrogen 2.955 N/A GLN 258.A N GLN 258.A OE1 no hydrogen 2.759 N/A GLN 258.A NE2 GLN 256.A OE1 no hydrogen 2.867 N/A GLN 258.A NE2 ASP 260.A OD1 no hydrogen 3.187 N/A THR 259.A OG1 PRO 10.A O no hydrogen 2.798 N/A ASP 260.A N LYS 11.A O no hydrogen 2.986 N/A ILE 261.A N ARG 134.A O no hydrogen 3.062 N/A ILE 262.A N ILE 13.A O no hydrogen 2.961 N/A SER 263.A N VAL 136.A O no hydrogen 2.886 N/A SER 263.A OG VAL 136.A O no hydrogen 3.422 N/A SER 263.A OG SER 137.A OG no hydrogen 2.735 N/A ILE 264.A N ALA 15.A O no hydrogen 2.780 N/A GLY 265.A N VAL 138.A O no hydrogen 2.802 N/A LEU 266.A N SER 17.A O no hydrogen 2.905 N/A ALA 268.A N ASP 237.A OD1 no hydrogen 3.029 N/A ASP 270.A N SER 267.A O no hydrogen 3.016 N/A TYR 271.A N SER 267.A O no hydrogen 3.453 N/A VAL 272.A N ALA 268.A O no hydrogen 2.955 N/A GLY 273.A N THR 269.A O no hydrogen 2.981 N/A HIS 274.A N ASP 270.A O no hydrogen 2.968 N/A HIS 274.A ND1 ALA 459.A O no hydrogen 2.709 N/A HIS 274.A NE2 HIS 461.A NE2 no hydrogen 3.021 N/A THR 275.A N TYR 271.A O no hydrogen 2.930 N/A THR 275.A OG1 TYR 271.A O no hydrogen 2.845 N/A PHE 276.A N VAL 272.A O no hydrogen 2.771 N/A GLY 277.A N GLY 273.A O no hydrogen 2.849 N/A THR 278.A N ASP 320.A OD1 no hydrogen 2.844 N/A THR 281.A N GLY 216.A O no hydrogen 3.276 N/A THR 281.A OG1 GLY 216.A O no hydrogen 3.187 N/A THR 281.A OG1 GLY 218.A O no hydrogen 2.733 N/A GLU 282.A N GLU 282.A OE1 no hydrogen 2.758 N/A SER 283.A OG GLY 277.A O no hydrogen 3.089 N/A CYS 284.A N GLY 280.A O no hydrogen 3.281 N/A CYS 284.A SG TYR 29.A OH no hydrogen 3.527 N/A ILE 285.A N THR 281.A O no hydrogen 2.806 N/A GLN 286.A N GLU 282.A O no hydrogen 2.969 N/A GLN 286.A NE2 ASP 237.A OD2 no hydrogen 2.813 N/A GLN 286.A NE2 THR 269.A OG1 no hydrogen 2.877 N/A VAL 287.A N SER 283.A O no hydrogen 2.874 N/A ASP 288.A N CYS 284.A O no hydrogen 3.126 N/A ARG 289.A N ILE 285.A O no hydrogen 2.924 N/A ARG 289.A NH2 GLU 293.A OE2 no hydrogen 2.909 N/A LEU 290.A N GLN 286.A O no hydrogen 2.856 N/A ASP 291.A N VAL 287.A O no hydrogen 2.973 N/A THR 292.A N ASP 288.A O no hydrogen 3.022 N/A THR 292.A OG1 ASP 288.A O no hydrogen 3.209 N/A GLU 293.A N ARG 289.A O no hydrogen 2.699 N/A LEU 294.A N LEU 290.A O no hydrogen 2.855 N/A GLY 295.A N ASP 291.A O no hydrogen 3.087 N/A ALA 296.A N THR 292.A O no hydrogen 3.121 N/A PHE 297.A N GLU 293.A O no hydrogen 2.926 N/A PHE 298.A N LEU 294.A O no hydrogen 2.875 N/A ASP 299.A N GLY 295.A O no hydrogen 2.947 N/A LYS 300.A N ALA 296.A O no hydrogen 3.098 N/A LYS 300.A NZ ASP 304.A OD1 no hydrogen 3.375 N/A LEU 301.A N PHE 297.A O no hydrogen 3.221 N/A ASP 302.A N PHE 298.A O no hydrogen 2.932 N/A LYS 303.A N ASP 299.A O no hydrogen 2.912 N/A ASP 304.A N LYS 300.A O no hydrogen 3.084 N/A ASP 304.A N LEU 301.A O no hydrogen 3.230 N/A GLY 305.A N ASP 302.A O no hydrogen 2.900 N/A ILE 306.A N LEU 301.A O no hydrogen 3.220 N/A TYR 308.A OH PHE 298.A O no hydrogen 3.332 N/A TYR 308.A OH ASP 302.A OD1 no hydrogen 2.717 N/A VAL 309.A N LEU 12.A O no hydrogen 2.858 N/A VAL 310.A N TRP 476.A O no hydrogen 2.766 N/A VAL 311.A N VAL 14.A O no hydrogen 2.909 N/A LEU 312.A N LEU 474.A O no hydrogen 2.790 N/A THR 313.A N ILE 16.A O no hydrogen 2.883 N/A THR 313.A OG1 PRO 472.A O no hydrogen 2.740 N/A ALA 314.A N THR 313.A OG1 no hydrogen 2.754 N/A HIS 316.A ND1 GLY 317.A O no hydrogen 2.789 N/A GLY 317.A N ASP 468.A O no hydrogen 2.728 N/A GLY 318.A N THR 467.A O no hydrogen 3.082 N/A HIS 319.A ND1 THR 467.A OG1 no hydrogen 2.977 N/A HIS 319.A NE2 GLU 333.A OE1 no hydrogen 2.548 N/A GLU 323.A N GLU 323.A OE1 no hydrogen 2.743 N/A ARG 324.A N LEU 321.A O no hydrogen 3.129 N/A ARG 324.A NE ASP 320.A OD2 no hydrogen 2.780 N/A ARG 324.A NH2 PHE 276.A O no hydrogen 3.220 N/A ARG 324.A NH2 ASP 320.A OD1 no hydrogen 2.759 N/A HIS 325.A N LEU 321.A O no hydrogen 3.201 N/A ARG 326.A N PRO 322.A O no hydrogen 2.834 N/A ARG 326.A NE GLU 333.A O no hydrogen 2.785 N/A MET 327.A N ARG 324.A O no hydrogen 2.897 N/A ASN 328.A N HIS 325.A O no hydrogen 2.910 N/A MET 330.A N HIS 325.A O no hydrogen 2.958 N/A GLU 333.A N MET 330.A O no hydrogen 3.181 N/A GLN 334.A N ARG 445.A O no hydrogen 3.157 N/A GLN 334.A NE2 MET 332.A O no hydrogen 3.032 N/A ARG 335.A NE GLU 323.A OE2 no hydrogen 2.782 N/A ARG 335.A NH1 ILE 449.A O no hydrogen 3.013 N/A ARG 335.A NH1 VAL 458.A O no hydrogen 3.241 N/A ARG 335.A NH2 GLU 323.A OE1 no hydrogen 2.957 N/A ARG 335.A NH2 VAL 458.A O no hydrogen 2.845 N/A VAL 336.A N MET 447.A O no hydrogen 2.893 N/A ASP 337.A N GLN 397.A OE1 no hydrogen 2.631 N/A ALA 339.A N ASP 337.A OD1 no hydrogen 2.851 N/A LEU 340.A N ASP 337.A O no hydrogen 3.084 N/A THR 341.A N MET 338.A O no hydrogen 3.094 N/A THR 341.A OG1 MET 338.A O no hydrogen 2.717 N/A LEU 345.A N THR 341.A O no hydrogen 2.941 N/A ASN 346.A N PRO 342.A O no hydrogen 3.044 N/A ASN 346.A ND2 LYS 358.A O no hydrogen 3.325 N/A ALA 347.A N LYS 343.A O no hydrogen 3.061 N/A THR 348.A N ALA 344.A O no hydrogen 2.876 N/A THR 348.A OG1 ALA 344.A O no hydrogen 3.339 N/A ILE 349.A N LEU 345.A O no hydrogen 2.894 N/A ALA 350.A N ASN 346.A O no hydrogen 2.825 N/A GLU 351.A N ALA 347.A O no hydrogen 3.084 N/A LYS 352.A N THR 348.A O no hydrogen 3.045 N/A ALA 353.A N ILE 349.A O no hydrogen 2.877 N/A ALA 353.A N ALA 350.A O no hydrogen 2.888 N/A LEU 355.A N ALA 350.A O no hydrogen 2.910 N/A LYS 358.A N LEU 355.A O no hydrogen 3.096 N/A LYS 359.A NZ ILE 361.A O no hydrogen 3.010 N/A VAL 360.A N ASN 346.A OD1 no hydrogen 2.845 N/A ILE 361.A N ASN 346.A OD1 no hydrogen 3.062 N/A TRP 362.A N TYR 371.A O no hydrogen 2.790 N/A TRP 362.A NE1 ASP 373.A OD1 no hydrogen 2.871 N/A GLY 368.A N LEU 440.A O no hydrogen 2.855 N/A ILE 370.A N LEU 438.A O no hydrogen 2.919 N/A TYR 371.A N TRP 362.A O no hydrogen 2.855 N/A TYR 371.A OH ARG 434.A O no hydrogen 2.646 N/A TYR 372.A N ASP 437.A OD2 no hydrogen 2.709 N/A TYR 372.A OH GLU 385.A OE1 no hydrogen 2.638 N/A ASP 373.A N VAL 360.A O no hydrogen 3.075 N/A GLY 375.A N ASP 373.A OD2 no hydrogen 3.382 N/A LEU 376.A N ASP 373.A O no hydrogen 3.321 N/A THR 377.A N GLN 380.A OE1 no hydrogen 2.843 N/A ARG 381.A N THR 377.A O no hydrogen 2.706 N/A ALA 382.A N ALA 378.A O no hydrogen 2.916 N/A ARG 383.A N ALA 379.A O no hydrogen 3.050 N/A ARG 383.A NE ALA 353.A O no hydrogen 3.246 N/A ARG 383.A NH2 ALA 353.A O no hydrogen 3.453 N/A VAL 384.A N GLN 380.A O no hydrogen 2.943 N/A GLU 385.A N ARG 381.A O no hydrogen 2.905 N/A THR 386.A N ALA 382.A O no hydrogen 3.039 N/A THR 386.A OG1 ALA 382.A O no hydrogen 2.917 N/A GLU 387.A N ARG 383.A O no hydrogen 2.902 N/A ALA 388.A N VAL 384.A O no hydrogen 2.810 N/A LEU 389.A N GLU 385.A O no hydrogen 3.195 N/A LYS 390.A N THR 386.A O no hydrogen 3.032 N/A TYR 391.A N GLU 387.A O no hydrogen 2.919 N/A LEU 392.A N ALA 388.A O no hydrogen 2.862 N/A ARG 393.A N LEU 389.A O no hydrogen 2.893 N/A ARG 393.A NH2 VAL 401.A O no hydrogen 3.372 N/A ALA 394.A N LYS 390.A O no hydrogen 3.308 N/A HIS 395.A N LEU 392.A O no hydrogen 3.005 N/A HIS 395.A NE2 ASP 337.A OD2 no hydrogen 2.967 N/A GLN 397.A N HIS 395.A ND1 no hydrogen 3.128 N/A GLN 397.A NE2 GLN 334.A OE1 no hydrogen 2.999 N/A GLN 397.A NE2 ARG 335.A O no hydrogen 2.909 N/A VAL 398.A N HIS 395.A O no hydrogen 3.184 N/A GLN 399.A N LEU 441.A O no hydrogen 2.794 N/A THR 400.A N LEU 441.A O no hydrogen 3.215 N/A PHE 402.A N LEU 439.A O no hydrogen 3.048 N/A THR 403.A N GLU 406.A OE1 no hydrogen 2.886 N/A LYS 404.A N ASP 437.A O no hydrogen 2.926 N/A LYS 404.A NZ PRO 432.A O no hydrogen 2.710 N/A GLU 406.A N THR 403.A OG1 no hydrogen 3.287 N/A ILE 407.A N THR 403.A O no hydrogen 3.192 N/A ALA 408.A N LYS 404.A O no hydrogen 2.933 N/A ALA 409.A N ALA 405.A O no hydrogen 2.970 N/A THR 410.A N ILE 407.A O no hydrogen 2.849 N/A THR 410.A OG1 GLU 406.A O no hydrogen 3.019 N/A GLU 418.A N GLU 418.A OE1 no hydrogen 2.667 N/A SER 419.A N PRO 416.A O no hydrogen 3.138 N/A SER 419.A OG PRO 416.A O no hydrogen 3.399 N/A TRP 420.A N PRO 417.A O no hydrogen 3.356 N/A TRP 420.A NE1 GLY 415.A O no hydrogen 3.083 N/A SER 421.A N GLN 424.A OE1 no hydrogen 2.941 N/A GLN 424.A N SER 421.A OG no hydrogen 3.159 N/A GLU 425.A N SER 421.A O no hydrogen 3.101 N/A ALA 426.A N LEU 422.A O no hydrogen 2.867 N/A ARG 427.A N ILE 423.A O no hydrogen 2.822 N/A ARG 427.A NE THR 410.A O no hydrogen 2.763 N/A ARG 427.A NH1 ARG 427.A O no hydrogen 3.008 N/A ALA 428.A N GLN 424.A O no hydrogen 3.061 N/A ALA 428.A N GLU 425.A O no hydrogen 3.128 N/A SER 429.A N ALA 426.A O no hydrogen 3.136 N/A PHE 430.A N ARG 427.A O no hydrogen 3.185 N/A TYR 431.A N SER 435.A OG no hydrogen 2.831 N/A ARG 434.A N TYR 431.A O no hydrogen 2.819 N/A ARG 434.A NH1 GLY 76.A O no hydrogen 2.782 N/A ARG 434.A NH1 HIS 116.A O no hydrogen 2.921 N/A ARG 434.A NH2 HIS 116.A O no hydrogen 3.390 N/A SER 435.A N TYR 431.A O no hydrogen 2.799 N/A SER 435.A OG TYR 431.A O no hydrogen 3.202 N/A GLY 436.A N ASP 369.A OD1 no hydrogen 2.799 N/A ASP 437.A N ILE 370.A O no hydrogen 2.752 N/A LEU 438.A N ILE 370.A O no hydrogen 3.091 N/A LEU 439.A N PHE 402.A O no hydrogen 2.846 N/A LEU 440.A N GLY 368.A O no hydrogen 2.896 N/A LEU 441.A N THR 400.A O no hydrogen 3.012 N/A LYS 443.A N GLN 397.A O no hydrogen 2.858 N/A LYS 443.A NZ PRO 396.A O no hydrogen 2.844 N/A VAL 446.A N LYS 443.A O no hydrogen 3.416 N/A MET 447.A N GLN 334.A O no hydrogen 2.799 N/A MET 455.A N ASN 212.A OD1 no hydrogen 2.806 N/A VAL 458.A N HIS 274.A O no hydrogen 2.855 N/A ALA 459.A N HIS 274.A O no hydrogen 3.323 N/A HIS 461.A ND1 THR 57.A O no hydrogen 2.736 N/A HIS 461.A NE2 HIS 274.A NE2 no hydrogen 3.021 N/A SER 463.A N ASP 468.A OD2 no hydrogen 2.859 N/A SER 463.A OG ASP 468.A OD2 no hydrogen 2.594 N/A TRP 465.A N SER 463.A OG no hydrogen 3.158 N/A TRP 465.A NE1 LEU 442.A O no hydrogen 2.868 N/A THR 467.A OG1 HIS 319.A ND1 no hydrogen 2.977 N/A THR 467.A OG1 ASP 468.A OD1 no hydrogen 3.190 N/A ASP 468.A N TRP 465.A O no hydrogen 2.976 N/A ARG 469.A N TRP 465.A O no hydrogen 3.204 N/A ARG 469.A N ASP 466.A O no hydrogen 3.205 N/A ARG 469.A NE SER 53.A O no hydrogen 2.932 N/A ARG 469.A NH1 PRO 417.A O no hydrogen 3.250 N/A ARG 469.A NH2 SER 53.A O no hydrogen 2.882 N/A ARG 469.A NH2 PRO 417.A O no hydrogen 2.934 N/A ARG 470.A N.A ASP 466.A O no hydrogen 2.964 N/A ARG 470.A N.B ASP 466.A O no hydrogen 2.975 N/A ARG 470.A NE.B ASP 466.A OD2 no hydrogen 2.320 N/A ARG 470.A NH1.A ASP 24.A OD1 no hydrogen 3.065 N/A ARG 470.A NH1.A ASP 466.A OD2 no hydrogen 3.054 N/A ARG 470.A NH1.B ASP 24.A OD1 no hydrogen 2.940 N/A ARG 470.A NH2.A ASP 24.A OD1 no hydrogen 2.733 N/A ARG 470.A NH2.B ASP 24.A OD1 no hydrogen 2.903 N/A ARG 470.A NH2.B ASP 466.A OD2 no hydrogen 2.816 N/A VAL 471.A N GLY 50.A O no hydrogen 2.737 N/A ILE 473.A N PHE 47.A O no hydrogen 2.868 N/A LEU 474.A N LEU 312.A O no hydrogen 2.964 N/A PHE 475.A N ALA 45.A O no hydrogen 3.012 N/A TRP 476.A N VAL 310.A O no hydrogen 2.868 N/A TRP 476.A NE1 GLU 43.A OE1 no hydrogen 2.904 N/A ARG 477.A NE ASP 307.A OD1 no hydrogen 3.016 N/A ARG 477.A NH1 ILE 5.A O no hydrogen 2.822 N/A ARG 477.A NH1 THR 8.A O no hydrogen 2.579 N/A ARG 477.A NH2 THR 8.A O no hydrogen 3.136 N/A ARG 477.A NH2 THR 8.A OG1 no hydrogen 3.301 N/A ARG 477.A NH2 ASP 307.A OD1 no hydrogen 3.145 N/A ARG 477.A NH2 ASP 307.A OD2 no hydrogen 2.728 N/A MET 480.A N ARG 477.A O no hydrogen 3.179 N/A HIS 482.A ND1 GLY 44.A O no hydrogen 2.890 N/A PHE 483.A N GLY 44.A O no hydrogen 3.259 N/A GLN 485.A N VAL 46.A O no hydrogen 2.876 N/A LEU 487.A N GLN 485.A OE1 no hydrogen 3.019 N/A GLY 488.A N GLU 418.A OE2 no hydrogen 2.967 N/A VAL 489.A N ARG 49.A O.A no hydrogen 3.338 N/A VAL 489.A N ARG 49.A O.B no hydrogen 3.285 N/A GLU 490.A N ASP 493.A OD2 no hydrogen 2.909 N/A THR 491.A N TYR 51.A O no hydrogen 2.925 N/A THR 491.A OG1 TYR 51.A O no hydrogen 3.559 N/A THR 491.A OG1 THR 65.A OG1 no hydrogen 2.867 N/A ASP 493.A N GLU 490.A O no hydrogen 2.900 N/A ILE 494.A N THR 491.A O no hydrogen 3.003 N/A SER 497.A N ASP 493.A O no hydrogen 3.221 N/A SER 497.A OG ASP 493.A O no hydrogen 2.742 N/A LEU 498.A N ILE 494.A O no hydrogen 2.979 N/A ALA 499.A N LEU 495.A O no hydrogen 2.838 N/A ALA 500.A N PRO 496.A O no hydrogen 3.112 N/A ILE 502.A N ALA 499.A O no hydrogen 3.155 N/A LYS 503.A N ALA 500.A O no hydrogen 3.295 N/A LEU 504.A N ALA 499.A O no hydrogen 2.991 N/A GLN 510.A N PRO 507.A O no hydrogen 3.009 N/A ILE 511.A N LYS 508.A O no hydrogen 3.349 N/A ASP 512.A N GLY 69.A O no hydrogen 2.793 N/A GLY 513.A N GLY 69.A O no hydrogen 2.959 N/A ARG 514.A N ASP 493.A OD1 no hydrogen 2.856 N/A CYS 515.A SG PRO 496.A O no hydrogen 3.705 N/A CYS 515.A SG LEU 516.A O no hydrogen 3.933 N/A LEU 516.A N SER 497.A OG no hydrogen 2.778 N/A LEU 518.A N SER 525.A OG no hydrogen 3.076 N/A VAL 519.A N ASP 517.A OD1 no hydrogen 2.937 N/A SER 525.A N ASP 517.A OD1 no hydrogen 3.040 N/A CYS 526.A N ASP 524.A OD1 no hydrogen 2.689 N/A