Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2sqc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N PRO 2.A O no hydrogen 3.057 N/A ARG 6.A NH1 ALA 1.A O no hydrogen 3.109 N/A THR 7.A N ALA 3.A O no hydrogen 3.073 N/A THR 7.A OG1 ALA 3.A O no hydrogen 3.122 N/A LEU 8.A N TYR 4.A O no hydrogen 2.896 N/A ASP 9.A N ALA 5.A O no hydrogen 2.971 N/A ARG 10.A N ARG 6.A O no hydrogen 3.050 N/A ARG 10.A NH2 PRO 580.A O no hydrogen 3.505 N/A ALA 11.A N THR 7.A O no hydrogen 2.930 N/A VAL 12.A N LEU 8.A O no hydrogen 2.866 N/A GLU 13.A N ASP 9.A O no hydrogen 3.069 N/A TYR 14.A N ARG 10.A O no hydrogen 2.977 N/A LEU 15.A N ALA 11.A O no hydrogen 2.849 N/A LEU 16.A N VAL 12.A O no hydrogen 2.927 N/A SER 17.A N GLU 13.A O no hydrogen 2.983 N/A SER 17.A OG TYR 14.A O no hydrogen 2.723 N/A CYS 18.A N TYR 14.A O no hydrogen 3.183 N/A CYS 18.A N LEU 15.A O no hydrogen 3.017 N/A CYS 18.A SG TYR 14.A O no hydrogen 3.420 N/A GLN 19.A N LEU 16.A O no hydrogen 3.188 N/A GLN 19.A NE2 GLY 23.A O no hydrogen 2.929 N/A GLN 19.A NE2 ARG 325.A O no hydrogen 3.083 N/A LYS 20.A N TYR 24.A O no hydrogen 2.833 N/A GLY 23.A N LYS 20.A O no hydrogen 2.762 N/A TRP 25.A N THR 307.A OG1 no hydrogen 2.865 N/A TRP 25.A NE1 LEU 15.A O no hydrogen 2.815 N/A GLY 27.A N ASP 306.A OD2 no hydrogen 2.808 N/A LEU 29.A N GLN 298.A OE1 no hydrogen 2.723 N/A LEU 30.A N GLY 601.A O no hydrogen 2.879 N/A ASN 32.A N SER 31.A OG no hydrogen 2.685 N/A THR 34.A N ASN 32.A OD1 no hydrogen 2.965 N/A THR 34.A OG1 ASN 32.A OD1 no hydrogen 2.747 N/A MET 35.A N ASN 32.A O no hydrogen 3.473 N/A ALA 37.A N VAL 33.A O no hydrogen 2.866 N/A GLU 38.A N THR 34.A O no hydrogen 2.987 N/A TYR 39.A N MET 35.A O no hydrogen 3.046 N/A VAL 40.A N GLU 36.A O no hydrogen 3.009 N/A LEU 41.A N ALA 37.A O no hydrogen 3.127 N/A LEU 42.A N GLU 38.A O no hydrogen 2.746 N/A CYS 43.A N TYR 39.A O no hydrogen 2.841 N/A CYS 43.A SG TYR 39.A O no hydrogen 3.423 N/A CYS 43.A SG ARG 48.A O no hydrogen 3.498 N/A HIS 44.A N VAL 40.A O no hydrogen 2.957 N/A HIS 44.A ND1 TYR 93.A OH no hydrogen 3.209 N/A HIS 44.A NE2 PHE 180.A O no hydrogen 2.783 N/A ILE 45.A N LEU 41.A O no hydrogen 2.824 N/A LEU 46.A N LEU 42.A O no hydrogen 2.883 N/A ASP 47.A N HIS 44.A O no hydrogen 3.084 N/A ARG 48.A N CYS 43.A O no hydrogen 2.880 N/A ARG 53.A N ASP 50.A OD1 no hydrogen 2.901 N/A ARG 53.A NH1 TYR 39.A OH no hydrogen 3.099 N/A ARG 53.A NH1 GLU 284.A OE2 no hydrogen 2.621 N/A ARG 53.A NH2 GLU 284.A OE1 no hydrogen 2.951 N/A ARG 53.A NH2 GLU 284.A OE2 no hydrogen 3.517 N/A MET 54.A N ASP 50.A O no hydrogen 2.878 N/A GLU 55.A N ARG 51.A O no hydrogen 3.027 N/A LYS 56.A N ASP 52.A O no hydrogen 3.137 N/A LYS 56.A NZ GLU 289.A OE1 no hydrogen 2.754 N/A ILE 57.A N ARG 53.A O no hydrogen 2.864 N/A ARG 58.A N MET 54.A O no hydrogen 2.795 N/A ARG 59.A N GLU 55.A O no hydrogen 2.980 N/A ARG 59.A NE GLU 55.A OE2 no hydrogen 2.883 N/A ARG 59.A NH2 GLU 55.A OE2 no hydrogen 3.334 N/A TYR 60.A N LYS 56.A O no hydrogen 2.944 N/A TYR 60.A OH GLU 36.A OE1 no hydrogen 2.695 N/A LEU 61.A N ILE 57.A O no hydrogen 2.729 N/A LEU 62.A N ARG 58.A O no hydrogen 2.966 N/A HIS 63.A N ARG 59.A O no hydrogen 3.005 N/A GLU 64.A N TYR 60.A O no hydrogen 2.925 N/A GLN 65.A N LEU 61.A O no hydrogen 3.071 N/A GLN 65.A N LEU 62.A O no hydrogen 3.234 N/A GLN 65.A NE2 GLY 69.A O no hydrogen 2.906 N/A GLN 65.A NE2 PRO 102.A O no hydrogen 3.008 N/A ARG 66.A N THR 70.A O no hydrogen 2.931 N/A ARG 66.A NE THR 70.A O no hydrogen 3.049 N/A ARG 66.A NE THR 70.A OG1 no hydrogen 3.217 N/A ARG 66.A NH1 GLY 77.A O no hydrogen 2.822 N/A ARG 66.A NH2 THR 70.A OG1 no hydrogen 2.968 N/A ARG 66.A NH2 GLY 77.A O no hydrogen 3.073 N/A GLY 69.A N ARG 66.A O no hydrogen 2.833 N/A THR 70.A N ASP 68.A OD1 no hydrogen 2.989 N/A THR 70.A OG1 ASP 68.A OD1 no hydrogen 2.650 N/A THR 70.A OG1 ASP 68.A OD2 no hydrogen 3.455 N/A TRP 71.A N THR 84.A OG1 no hydrogen 2.975 N/A TRP 71.A NE1 LEU 61.A O no hydrogen 2.777 N/A GLY 77.A N TYR 74.A O no hydrogen 2.909 N/A ASP 80.A N TRP 71.A O no hydrogen 2.912 N/A THR 83.A N ASP 80.A OD2 no hydrogen 2.969 N/A THR 83.A OG1 ASP 80.A OD2 no hydrogen 2.656 N/A THR 84.A N ASP 80.A O no hydrogen 3.028 N/A THR 84.A OG1 TRP 71.A O no hydrogen 3.354 N/A THR 84.A OG1 ASP 80.A O no hydrogen 2.904 N/A ILE 85.A N LEU 81.A O no hydrogen 2.908 N/A GLU 86.A N ASP 82.A O no hydrogen 3.115 N/A ALA 87.A N THR 83.A O no hydrogen 2.952 N/A TYR 88.A N THR 84.A O no hydrogen 2.926 N/A TYR 88.A OH GLU 190.A OE2 no hydrogen 2.642 N/A VAL 89.A N ILE 85.A O no hydrogen 2.912 N/A ALA 90.A N GLU 86.A O no hydrogen 2.974 N/A LEU 91.A N ALA 87.A O no hydrogen 2.859 N/A LYS 92.A N TYR 88.A O no hydrogen 3.002 N/A LYS 92.A NZ ARG 187.A O no hydrogen 2.625 N/A LYS 92.A NZ GLU 190.A OE2 no hydrogen 2.676 N/A TYR 93.A N VAL 89.A O no hydrogen 2.950 N/A TYR 93.A OH HIS 44.A ND1 no hydrogen 3.209 N/A ILE 94.A N ALA 90.A O no hydrogen 2.866 N/A GLY 95.A N LEU 91.A O no hydrogen 2.994 N/A MET 96.A N LEU 91.A O no hydrogen 3.075 N/A SER 97.A N GLU 100.A OE2 no hydrogen 2.782 N/A ASP 99.A N SER 97.A OG no hydrogen 2.967 N/A GLU 100.A N SER 97.A O no hydrogen 2.946 N/A GLN 104.A N GLU 100.A O no hydrogen 2.949 N/A LYS 105.A N GLU 101.A O no hydrogen 2.959 N/A LYS 105.A NZ GLU 67.A O no hydrogen 2.725 N/A LYS 105.A NZ GLU 67.A OE2 no hydrogen 3.369 N/A ALA 106.A N PRO 102.A O no hydrogen 3.131 N/A LEU 107.A N MET 103.A O no hydrogen 2.831 N/A ARG 108.A N GLN 104.A O no hydrogen 2.908 N/A PHE 109.A N LYS 105.A O no hydrogen 3.120 N/A ILE 110.A N ALA 106.A O no hydrogen 2.950 N/A GLN 111.A N LEU 107.A O no hydrogen 2.854 N/A GLN 111.A NE2 GLU 190.A O no hydrogen 2.914 N/A SER 112.A N ARG 108.A O no hydrogen 3.006 N/A SER 112.A OG PHE 109.A O no hydrogen 2.590 N/A GLN 113.A N ILE 110.A O no hydrogen 3.154 N/A GLN 113.A NE2 SER 112.A OG no hydrogen 3.344 N/A GLY 114.A N GLN 111.A O no hydrogen 3.346 N/A GLY 115.A N ILE 110.A O no hydrogen 2.985 N/A ILE 116.A N LEU 191.A O no hydrogen 3.012 N/A SER 118.A N GLY 115.A O no hydrogen 2.942 N/A SER 118.A OG GLN 113.A O no hydrogen 3.406 N/A SER 119.A N ILE 116.A O no hydrogen 3.081 N/A SER 119.A OG ILE 116.A O no hydrogen 2.660 N/A ARG 120.A N ASP 82.A OD1 no hydrogen 2.822 N/A ARG 120.A NE THR 123.A OG1 no hydrogen 3.066 N/A ARG 120.A NH2 GLU 86.A OE2 no hydrogen 2.807 N/A VAL 121.A N ASP 429.A OD2 no hydrogen 2.751 N/A THR 123.A OG1 GLU 86.A OE2 no hydrogen 2.568 N/A ARG 124.A N ARG 120.A O no hydrogen 3.173 N/A ARG 124.A NE SER 119.A O no hydrogen 2.981 N/A ARG 124.A NH1 TYR 133.A OH no hydrogen 3.457 N/A MET 125.A N VAL 121.A O no hydrogen 2.856 N/A TRP 126.A N PHE 122.A O no hydrogen 3.022 N/A TRP 126.A NE1 TYR 260.A OH no hydrogen 3.049 N/A LEU 127.A N THR 123.A O no hydrogen 3.090 N/A ALA 128.A N ARG 124.A O no hydrogen 2.837 N/A LEU 129.A N MET 125.A O no hydrogen 2.867 N/A VAL 130.A N LEU 127.A O no hydrogen 3.139 N/A GLY 131.A N ALA 128.A O no hydrogen 2.992 N/A GLU 132.A N LEU 127.A O no hydrogen 2.795 N/A TYR 133.A OH GLU 117.A OE1 no hydrogen 2.761 N/A TRP 135.A NE1 PRO 178.A O no hydrogen 2.841 N/A LYS 137.A N PRO 134.A O no hydrogen 3.052 N/A VAL 138.A N TRP 135.A O no hydrogen 2.978 N/A MET 140.A N ASP 215.A OD1 no hydrogen 3.154 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.745 N/A ILE 145.A N PRO 142.A O no hydrogen 2.968 N/A MET 146.A N PRO 143.A O no hydrogen 3.008 N/A PHE 147.A N GLU 144.A O no hydrogen 2.872 N/A LEU 148.A N ILE 145.A O no hydrogen 3.077 N/A MET 152.A N GLY 149.A O no hydrogen 2.958 N/A LEU 154.A N GLU 158.A OE1 no hydrogen 2.947 N/A ASN 155.A N MET 152.A O no hydrogen 3.165 N/A ASN 155.A ND2 LYS 150.A O no hydrogen 3.294 N/A ASN 155.A ND2 MET 152.A O no hydrogen 2.722 N/A TYR 157.A N ASN 155.A OD1 no hydrogen 2.861 N/A GLU 158.A N ASN 155.A O no hydrogen 2.961 N/A PHE 159.A N ILE 156.A O no hydrogen 3.215 N/A GLY 160.A N VAL 433.A O no hydrogen 2.696 N/A TRP 162.A NE1 GLU 432.A O no hydrogen 2.820 N/A ALA 163.A N GLY 160.A O no hydrogen 3.024 N/A ARG 164.A N GLY 160.A O no hydrogen 3.004 N/A ARG 164.A N SER 161.A O no hydrogen 3.313 N/A ARG 164.A NE ILE 156.A O no hydrogen 3.212 N/A ARG 164.A NH1 ASP 343.A OD2 no hydrogen 2.913 N/A ARG 164.A NH2 PHE 159.A O no hydrogen 2.938 N/A ARG 164.A NH2 ASP 414.A OD2 no hydrogen 2.942 N/A VAL 167.A N ALA 163.A O no hydrogen 2.875 N/A VAL 168.A N ARG 164.A O no hydrogen 2.956 N/A ALA 169.A N ALA 165.A O no hydrogen 2.883 N/A LEU 170.A N THR 166.A O no hydrogen 2.810 N/A SER 171.A N VAL 167.A O no hydrogen 2.893 N/A SER 171.A N VAL 168.A O no hydrogen 3.227 N/A SER 171.A OG VAL 168.A O no hydrogen 2.765 N/A ILE 172.A N ALA 169.A O no hydrogen 3.088 N/A VAL 173.A N ALA 169.A O no hydrogen 3.047 N/A MET 174.A N LEU 170.A O no hydrogen 2.762 N/A SER 175.A N SER 171.A O no hydrogen 3.182 N/A SER 175.A OG GLU 234.A OE2 no hydrogen 2.465 N/A ARG 176.A N ILE 172.A O no hydrogen 3.351 N/A ARG 176.A N VAL 173.A O no hydrogen 3.142 N/A ARG 176.A NE GLU 234.A OE2 no hydrogen 3.046 N/A ARG 176.A NH2 GLU 234.A OE1 no hydrogen 2.842 N/A GLN 177.A N VAL 173.A O no hydrogen 2.978 N/A GLN 177.A NE2 MET 174.A O no hydrogen 3.209 N/A PHE 180.A N LEU 129.A O no hydrogen 2.772 N/A ARG 185.A NH1 LYS 92.A O no hydrogen 2.890 N/A ARG 185.A NH1 TYR 93.A O no hydrogen 3.496 N/A ARG 185.A NH2 LYS 92.A O no hydrogen 2.894 N/A ALA 186.A N PRO 183.A O no hydrogen 2.897 N/A ARG 187.A N GLU 184.A O no hydrogen 3.158 N/A VAL 188.A N GLU 132.A OE1 no hydrogen 2.792 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.706 N/A LEU 191.A N VAL 188.A O no hydrogen 3.097 N/A TYR 192.A N PRO 189.A O no hydrogen 3.033 N/A TYR 192.A OH GLU 132.A O no hydrogen 2.540 N/A GLU 193.A N GLU 190.A O no hydrogen 3.223 N/A THR 194.A OG1 VAL 196.A O no hydrogen 2.722 N/A ASP 195.A N GLN 111.A O no hydrogen 2.936 N/A ARG 199.A N SER 118.A OG no hydrogen 2.995 N/A ARG 200.A NH1 GLU 117.A OE1 no hydrogen 3.178 N/A ARG 200.A NH2 GLU 117.A OE1 no hydrogen 3.294 N/A ARG 201.A NH1 ASP 82.A OD2 no hydrogen 2.815 N/A ARG 201.A NH2 SER 118.A O no hydrogen 3.175 N/A LYS 204.A N SER 428.A O no hydrogen 3.067 N/A LYS 204.A NZ ASP 597.A OD2 no hydrogen 3.210 N/A GLY 205.A N ASN 423.A O no hydrogen 2.815 N/A GLY 206.A N ALA 203.A O no hydrogen 3.010 N/A ASP 212.A N GLY 208.A O no hydrogen 2.972 N/A ALA 213.A N TRP 209.A O no hydrogen 2.899 N/A LEU 214.A N ILE 210.A O no hydrogen 2.930 N/A ASP 215.A N PHE 211.A O no hydrogen 3.042 N/A ARG 216.A N ASP 212.A O no hydrogen 2.937 N/A ALA 217.A N ALA 213.A O no hydrogen 2.877 N/A LEU 218.A N LEU 214.A O no hydrogen 2.825 N/A HIS 219.A N ASP 215.A O no hydrogen 3.025 N/A GLY 220.A N ARG 216.A O no hydrogen 2.879 N/A TYR 221.A N ALA 217.A O no hydrogen 2.679 N/A GLN 222.A N LEU 218.A O no hydrogen 2.888 N/A GLN 222.A NE2 SER 175.A O no hydrogen 2.969 N/A LYS 223.A N HIS 219.A O no hydrogen 3.235 N/A LYS 223.A N GLY 220.A O no hydrogen 3.030 N/A LEU 224.A N TYR 221.A O no hydrogen 2.988 N/A HIS 227.A NE2 TYR 221.A O no hydrogen 2.877 N/A ARG 230.A N HIS 227.A O no hydrogen 3.029 N/A ARG 230.A NE GLU 144.A OE2 no hydrogen 2.839 N/A ARG 230.A NH1 GLN 222.A OE1 no hydrogen 2.722 N/A ARG 230.A NH2 GLU 144.A OE1 no hydrogen 2.977 N/A ARG 230.A NH2 GLU 144.A OE2 no hydrogen 3.448 N/A ALA 233.A N PHE 229.A O no hydrogen 2.873 N/A GLU 234.A N ARG 230.A O no hydrogen 2.831 N/A ILE 235.A N ARG 231.A O no hydrogen 2.945 N/A ARG 236.A N ALA 232.A O no hydrogen 3.034 N/A ARG 236.A NH1 MET 146.A O no hydrogen 3.183 N/A ALA 237.A N ALA 233.A O no hydrogen 2.986 N/A LEU 238.A N GLU 234.A O no hydrogen 2.836 N/A ASP 239.A N ILE 235.A O no hydrogen 2.899 N/A TRP 240.A N ARG 236.A O no hydrogen 3.017 N/A TRP 240.A NE1 TYR 157.A OH no hydrogen 2.938 N/A LEU 241.A N ALA 237.A O no hydrogen 3.063 N/A LEU 242.A N LEU 238.A O no hydrogen 2.816 N/A GLU 243.A N ASP 239.A O no hydrogen 2.895 N/A ARG 244.A N LEU 241.A O no hydrogen 3.210 N/A ARG 244.A NE ASP 343.A OD1 no hydrogen 2.793 N/A ARG 244.A NH1 TRP 240.A O no hydrogen 3.124 N/A ARG 244.A NH1 GLU 243.A OE1 no hydrogen 3.009 N/A GLN 245.A N LEU 241.A O no hydrogen 3.177 N/A GLN 245.A NE2 GLY 249.A O no hydrogen 3.027 N/A GLN 245.A NE2 ALA 275.A O no hydrogen 2.897 N/A ALA 246.A N SER 250.A O no hydrogen 2.924 N/A GLY 249.A N ALA 246.A O no hydrogen 2.918 N/A SER 250.A N ASP 248.A OD1 no hydrogen 2.905 N/A SER 250.A OG ASP 248.A OD1 no hydrogen 2.675 N/A TRP 251.A NE1 LEU 241.A O no hydrogen 2.729 N/A GLY 253.A N SER 250.A OG no hydrogen 2.900 N/A ILE 254.A N TRP 251.A O no hydrogen 3.493 N/A GLN 255.A N ALA 299.A O no hydrogen 3.005 N/A GLN 255.A NE2 GLU 38.A OE1 no hydrogen 2.951 N/A TRP 258.A NE1 GLY 279.A O no hydrogen 2.917 N/A PHE 259.A N GLN 255.A O no hydrogen 2.989 N/A TYR 260.A N PRO 256.A O no hydrogen 2.951 N/A ALA 261.A N PRO 257.A O no hydrogen 2.733 N/A LEU 262.A N TRP 258.A O no hydrogen 3.121 N/A ILE 263.A N PHE 259.A O no hydrogen 3.123 N/A ALA 264.A N TYR 260.A O no hydrogen 2.900 N/A LEU 265.A N ALA 261.A O no hydrogen 2.838 N/A LYS 266.A N LEU 262.A O no hydrogen 2.925 N/A ILE 267.A N ILE 263.A O no hydrogen 2.903 N/A LEU 268.A N ALA 264.A O no hydrogen 3.108 N/A LEU 268.A N LEU 265.A O no hydrogen 3.255 N/A ASP 269.A N LYS 266.A O no hydrogen 2.976 N/A MET 270.A N LEU 265.A O no hydrogen 2.875 N/A HIS 273.A N MET 270.A O no hydrogen 3.041 N/A ALA 275.A N HIS 273.A ND1 no hydrogen 2.924 N/A ILE 277.A N HIS 273.A O no hydrogen 2.992 N/A LYS 278.A N PRO 274.A O no hydrogen 2.863 N/A GLY 279.A N ALA 275.A O no hydrogen 2.895 N/A TRP 280.A N PHE 276.A O no hydrogen 2.776 N/A GLU 281.A N ILE 277.A O no hydrogen 2.981 N/A GLY 282.A N LYS 278.A O no hydrogen 2.922 N/A LEU 283.A N TRP 280.A O no hydrogen 3.163 N/A LEU 285.A N GLY 282.A O no hydrogen 3.188 N/A TYR 286.A N LEU 283.A O no hydrogen 2.999 N/A TYR 286.A OH ASP 248.A OD2 no hydrogen 2.688 N/A GLY 287.A N GLU 284.A O no hydrogen 3.049 N/A VAL 288.A N MET 296.A O no hydrogen 2.854 N/A LEU 290.A N GLY 294.A O no hydrogen 2.749 N/A GLY 293.A N LEU 290.A O no hydrogen 2.865 N/A TRP 295.A N LYS 56.A O no hydrogen 3.314 N/A MET 296.A N VAL 288.A O no hydrogen 2.998 N/A PHE 297.A N GLU 36.A OE2 no hydrogen 2.637 N/A GLN 298.A N TYR 286.A O no hydrogen 2.887 N/A GLN 298.A NE2 TYR 286.A O no hydrogen 3.651 N/A SER 300.A OG GLY 253.A O no hydrogen 2.643 N/A SER 302.A OG ASP 306.A OD2 no hydrogen 2.685 N/A VAL 304.A N PHE 358.A O no hydrogen 3.062 N/A TRP 305.A NE1 TYR 605.A OH no hydrogen 2.879 N/A ASP 306.A N SER 302.A O no hydrogen 2.849 N/A THR 307.A N PRO 303.A O no hydrogen 2.880 N/A THR 307.A OG1 TRP 25.A O no hydrogen 3.211 N/A THR 307.A OG1 PRO 303.A O no hydrogen 2.741 N/A GLY 308.A N VAL 304.A O no hydrogen 2.852 N/A LEU 309.A N TRP 305.A O no hydrogen 2.988 N/A ALA 310.A N ASP 306.A O no hydrogen 2.966 N/A VAL 311.A N THR 307.A O no hydrogen 2.994 N/A LEU 312.A N GLY 308.A O no hydrogen 3.182 N/A ALA 313.A N LEU 309.A O no hydrogen 2.907 N/A LEU 314.A N ALA 310.A O no hydrogen 2.951 N/A ARG 315.A N VAL 311.A O no hydrogen 2.924 N/A ARG 315.A NE THR 380.A O no hydrogen 2.589 N/A ARG 315.A NH1 LEU 319.A O no hydrogen 2.787 N/A ARG 315.A NH2 THR 380.A O no hydrogen 3.156 N/A ALA 316.A N LEU 312.A O no hydrogen 2.865 N/A ALA 317.A N ALA 313.A O no hydrogen 2.818 N/A GLY 318.A N ARG 315.A O no hydrogen 3.078 N/A LEU 319.A N LEU 314.A O no hydrogen 2.993 N/A HIS 323.A N PRO 320.A O no hydrogen 3.011 N/A ARG 325.A N HIS 323.A ND1 no hydrogen 3.048 N/A ARG 325.A NE GLN 19.A OE1 no hydrogen 2.892 N/A ARG 325.A NH2 ASP 21.A O no hydrogen 3.269 N/A VAL 327.A N HIS 323.A O no hydrogen 2.830 N/A LYS 328.A N ASP 324.A O no hydrogen 3.111 N/A ALA 329.A N ARG 325.A O no hydrogen 3.141 N/A GLY 330.A N LEU 326.A O no hydrogen 2.864 N/A GLU 331.A N VAL 327.A O no hydrogen 2.890 N/A TRP 332.A N LYS 328.A O no hydrogen 2.996 N/A LEU 333.A N ALA 329.A O no hydrogen 2.831 N/A LEU 334.A N GLY 330.A O no hydrogen 3.002 N/A ASP 335.A N GLU 331.A O no hydrogen 3.355 N/A ARG 336.A N LEU 333.A O no hydrogen 2.875 N/A GLN 337.A N LEU 334.A O no hydrogen 3.290 N/A GLN 337.A NE2 GLY 354.A O no hydrogen 2.948 N/A GLN 337.A NE2 ALA 392.A O no hydrogen 2.976 N/A ILE 338.A N GLY 355.A O no hydrogen 2.806 N/A ASP 343.A N TYR 364.A O no hydrogen 3.318 N/A ALA 345.A N GLY 342.A O no hydrogen 2.959 N/A VAL 346.A N ASP 343.A O no hydrogen 3.039 N/A LYS 347.A N TRP 344.A O no hydrogen 3.145 N/A ARG 348.A N TRP 344.A O no hydrogen 3.239 N/A ARG 348.A NE GLY 402.A O no hydrogen 2.997 N/A ARG 348.A NH1 LYS 347.A O no hydrogen 2.831 N/A LEU 351.A N ARG 348.A O no hydrogen 3.267 N/A PHE 356.A N THR 371.A OG1 no hydrogen 2.916 N/A GLN 359.A NE2 GLY 253.A O no hydrogen 3.518 N/A GLN 359.A NE2 SER 300.A OG no hydrogen 3.221 N/A ASN 362.A ND2 GLN 359.A OE1 no hydrogen 2.806 N/A TYR 365.A N ASN 362.A O no hydrogen 3.229 N/A TYR 365.A OH ASP 343.A OD2 no hydrogen 2.676 N/A ASP 367.A N PHE 356.A O no hydrogen 2.996 N/A VAL 368.A N ALA 412.A O no hydrogen 2.749 N/A CYS 369.A SG HIS 444.A ND1 no hydrogen 3.787 N/A ASP 370.A N ASP 367.A OD1 no hydrogen 2.869 N/A THR 371.A N ASP 367.A O no hydrogen 3.037 N/A THR 371.A OG1 PHE 356.A O no hydrogen 3.517 N/A THR 371.A OG1 ASP 367.A O no hydrogen 2.835 N/A ALA 372.A N VAL 368.A O no hydrogen 2.860 N/A VAL 373.A N CYS 369.A O no hydrogen 2.860 N/A VAL 374.A N ASP 370.A O no hydrogen 2.838 N/A VAL 375.A N THR 371.A O no hydrogen 2.908 N/A TRP 376.A N ALA 372.A O no hydrogen 3.006 N/A ALA 377.A N VAL 373.A O no hydrogen 2.851 N/A LEU 378.A N VAL 374.A O no hydrogen 2.839 N/A ASN 379.A N VAL 375.A O no hydrogen 3.040 N/A ASN 379.A ND2 SER 451.A O no hydrogen 3.071 N/A ASN 379.A ND2 SER 451.A OG no hydrogen 3.016 N/A THR 380.A N ALA 377.A O no hydrogen 2.895 N/A THR 380.A OG1 ALA 377.A O no hydrogen 2.663 N/A LEU 381.A N LEU 378.A O no hydrogen 3.031 N/A ARG 382.A N ALA 321.A O no hydrogen 2.856 N/A LEU 383.A N GLU 386.A OE2 no hydrogen 2.867 N/A ARG 388.A N ASP 385.A OD1 no hydrogen 3.188 N/A ARG 388.A NH2 ASP 335.A OD1 no hydrogen 2.771 N/A ARG 389.A N ASP 385.A O no hydrogen 3.086 N/A ARG 389.A NE GLU 386.A OE1 no hydrogen 3.362 N/A ARG 389.A NE GLU 386.A OE2 no hydrogen 2.843 N/A ARG 389.A NH1 LEU 378.A O no hydrogen 2.933 N/A ARG 389.A NH2 GLU 386.A OE1 no hydrogen 2.769 N/A ARG 390.A N GLU 386.A O no hydrogen 2.945 N/A ASP 391.A N ARG 387.A O no hydrogen 2.917 N/A ALA 392.A N ARG 388.A O no hydrogen 2.890 N/A MET 393.A N ARG 389.A O no hydrogen 2.944 N/A THR 394.A N ARG 390.A O no hydrogen 2.903 N/A THR 394.A OG1 ARG 390.A O no hydrogen 2.870 N/A LYS 395.A N ASP 391.A O no hydrogen 3.004 N/A GLY 396.A N ALA 392.A O no hydrogen 2.861 N/A PHE 397.A N MET 393.A O no hydrogen 2.823 N/A ARG 398.A N THR 394.A O no hydrogen 2.904 N/A TRP 399.A N LYS 395.A O no hydrogen 3.024 N/A ILE 400.A N GLY 396.A O no hydrogen 2.951 N/A VAL 401.A N PHE 397.A O no hydrogen 2.905 N/A GLY 402.A N ARG 398.A O no hydrogen 3.027 N/A MET 403.A N TRP 399.A O no hydrogen 3.102 N/A MET 403.A N ILE 400.A O no hydrogen 2.973 N/A GLN 404.A N VAL 401.A O no hydrogen 3.219 N/A GLN 404.A NE2 GLY 408.A O no hydrogen 2.929 N/A GLN 404.A NE2 VAL 460.A O no hydrogen 2.990 N/A SER 405.A N GLY 409.A O no hydrogen 2.803 N/A SER 406.A N ASP 416.A OD1 no hydrogen 2.756 N/A SER 406.A OG ASP 416.A OD1 no hydrogen 3.464 N/A SER 406.A OG ASP 416.A OD2 no hydrogen 2.739 N/A GLY 408.A N SER 405.A O no hydrogen 3.029 N/A GLY 409.A N ASN 407.A OD1 no hydrogen 2.922 N/A TRP 410.A N THR 442.A OG1 no hydrogen 2.986 N/A TRP 410.A NE1 ILE 400.A O no hydrogen 2.774 N/A ALA 412.A N ASP 435.A OD1 no hydrogen 2.924 N/A TYR 413.A N ASP 435.A OD2 no hydrogen 2.849 N/A ASP 414.A N ASP 435.A OD2 no hydrogen 3.371 N/A ASP 416.A N SER 405.A OG no hydrogen 2.839 N/A ASN 417.A ND2 PHE 159.A O no hydrogen 3.267 N/A THR 418.A OG1 ASP 416.A O no hydrogen 3.508 N/A SER 419.A OG GLU 158.A OE1 no hydrogen 3.142 N/A LEU 421.A N SER 419.A OG no hydrogen 3.097 N/A ASN 423.A N ASP 420.A O no hydrogen 3.361 N/A ASN 423.A ND2 ASP 420.A O no hydrogen 3.609 N/A ASN 423.A ND2 ASP 420.A OD1 no hydrogen 3.008 N/A HIS 424.A N LEU 421.A O no hydrogen 2.989 N/A HIS 424.A ND1 GLY 206.A O no hydrogen 2.626 N/A HIS 424.A NE2 ASP 420.A OD2 no hydrogen 2.661 N/A SER 428.A N ILE 425.A O no hydrogen 2.955 N/A SER 428.A OG PRO 422.A O no hydrogen 3.054 N/A ASP 429.A N PHE 427.A O no hydrogen 3.094 N/A GLY 431.A N ASP 597.A OD2 no hydrogen 2.673 N/A ASP 435.A N ASN 417.A OD1 no hydrogen 2.769 N/A SER 438.A N TRP 410.A O no hydrogen 3.039 N/A SER 438.A OG ASP 440.A OD1 no hydrogen 2.667 N/A GLU 439.A N GLU 439.A OE1 no hydrogen 2.644 N/A VAL 441.A N ASP 440.A OD1 no hydrogen 2.827 N/A THR 442.A N SER 438.A O no hydrogen 3.235 N/A THR 442.A OG1 SER 438.A O no hydrogen 2.788 N/A ALA 443.A N GLU 439.A O no hydrogen 2.905 N/A HIS 444.A N ASP 440.A O no hydrogen 2.923 N/A VAL 445.A N VAL 441.A O no hydrogen 2.992 N/A LEU 446.A N THR 442.A O no hydrogen 2.948 N/A GLU 447.A N ALA 443.A O no hydrogen 2.946 N/A CYS 448.A N HIS 444.A O no hydrogen 3.006 N/A CYS 448.A SG ALA 372.A O no hydrogen 3.453 N/A PHE 449.A N VAL 445.A O no hydrogen 2.879 N/A GLY 450.A N LEU 446.A O no hydrogen 2.739 N/A SER 451.A N GLU 447.A O no hydrogen 3.100 N/A SER 451.A N CYS 448.A O no hydrogen 3.046 N/A SER 451.A OG CYS 448.A O no hydrogen 2.675 N/A PHE 452.A N PHE 449.A O no hydrogen 3.048 N/A GLY 453.A N GLY 450.A O no hydrogen 2.899 N/A ALA 457.A N ASP 455.A OD1 no hydrogen 3.031 N/A TRP 458.A N ASP 455.A O no hydrogen 3.083 N/A ARG 462.A N TRP 458.A O no hydrogen 3.082 N/A ARG 463.A N LYS 459.A O no hydrogen 2.897 N/A ALA 464.A N VAL 460.A O no hydrogen 3.363 N/A VAL 465.A N ILE 461.A O no hydrogen 2.864 N/A GLU 466.A N ARG 462.A O no hydrogen 2.953 N/A TYR 467.A N ARG 463.A O no hydrogen 2.998 N/A LEU 468.A N ALA 464.A O no hydrogen 2.925 N/A LYS 469.A N VAL 465.A O no hydrogen 2.868 N/A ARG 470.A N GLU 466.A O no hydrogen 2.951 N/A ARG 470.A NH2 ASN 407.A O no hydrogen 2.922 N/A GLU 471.A N TYR 467.A O no hydrogen 3.074 N/A GLU 471.A N LEU 468.A O no hydrogen 3.018 N/A GLN 472.A N LEU 468.A O no hydrogen 3.024 N/A GLN 472.A NE2 GLY 476.A O no hydrogen 2.863 N/A GLN 472.A NE2 TYR 508.A O no hydrogen 2.952 N/A LYS 473.A N SER 477.A O no hydrogen 2.816 N/A GLY 476.A N LYS 473.A O no hydrogen 2.812 N/A SER 477.A N ASP 475.A OD1 no hydrogen 2.995 N/A SER 477.A OG ASP 475.A OD1 no hydrogen 2.650 N/A TRP 478.A N THR 490.A OG1 no hydrogen 2.890 N/A TRP 478.A NE1 LEU 468.A O no hydrogen 2.788 N/A GLY 480.A N ASN 485.A OD1 no hydrogen 2.847 N/A ARG 481.A NH1 ARG 481.A O no hydrogen 2.877 N/A ARG 481.A NH1 GLY 593.A O no hydrogen 2.920 N/A ARG 481.A NH2 GLY 593.A O no hydrogen 3.557 N/A TRP 482.A N ASP 440.A OD2 no hydrogen 2.744 N/A VAL 484.A N THR 590.A O no hydrogen 2.760 N/A ASN 485.A N GLU 528.A OE1 no hydrogen 3.000 N/A ASN 485.A ND2 SER 532.A OG no hydrogen 3.094 N/A TYR 486.A N GLU 528.A OE2 no hydrogen 2.941 N/A LEU 487.A N GLU 528.A OE1 no hydrogen 2.825 N/A GLY 489.A N ASN 485.A O no hydrogen 2.898 N/A THR 490.A N TYR 486.A O no hydrogen 2.808 N/A THR 490.A OG1 TYR 486.A O no hydrogen 2.657 N/A GLY 491.A N LEU 487.A O no hydrogen 2.899 N/A ALA 492.A N TYR 488.A O no hydrogen 2.939 N/A VAL 493.A N GLY 489.A O no hydrogen 2.832 N/A VAL 494.A N THR 490.A O no hydrogen 2.966 N/A SER 495.A N GLY 491.A O no hydrogen 3.175 N/A SER 495.A OG GLY 491.A O no hydrogen 2.932 N/A ALA 496.A N ALA 492.A O no hydrogen 2.966 N/A LEU 497.A N VAL 493.A O no hydrogen 2.891 N/A LYS 498.A N VAL 494.A O no hydrogen 3.018 N/A ALA 499.A N SER 495.A O no hydrogen 2.933 N/A VAL 500.A N ALA 496.A O no hydrogen 3.074 N/A GLY 501.A N LYS 498.A O no hydrogen 3.112 N/A ILE 502.A N LEU 497.A O no hydrogen 2.957 N/A ARG 505.A N ASP 503.A OD1 no hydrogen 3.110 N/A ARG 505.A NE ASP 503.A OD1 no hydrogen 2.914 N/A ARG 505.A NH2 ASP 503.A OD1 no hydrogen 3.319 N/A GLU 506.A N ASP 503.A O no hydrogen 3.119 N/A ILE 509.A N GLU 506.A O no hydrogen 3.097 N/A GLN 510.A N GLU 506.A O no hydrogen 3.024 N/A GLN 510.A NE2 THR 504.A O no hydrogen 2.905 N/A LYS 511.A N PRO 507.A O no hydrogen 2.861 N/A LYS 511.A NZ PRO 474.A O no hydrogen 2.748 N/A ALA 512.A N TYR 508.A O no hydrogen 3.298 N/A LEU 513.A N ILE 509.A O no hydrogen 2.936 N/A ASP 514.A N GLN 510.A O no hydrogen 2.885 N/A TRP 515.A N LYS 511.A O no hydrogen 2.897 N/A TRP 515.A NE1 ASP 475.A OD2 no hydrogen 3.001 N/A VAL 516.A N ALA 512.A O no hydrogen 2.906 N/A GLU 517.A N LEU 513.A O no hydrogen 2.936 N/A GLN 518.A N ASP 514.A O no hydrogen 2.795 N/A HIS 519.A N VAL 516.A O no hydrogen 2.959 N/A HIS 519.A ND1 TRP 515.A O no hydrogen 2.689 N/A GLN 520.A N GLU 517.A O no hydrogen 3.255 N/A GLN 520.A NE2 GLY 524.A O no hydrogen 2.916 N/A GLN 520.A NE2 ALA 566.A O no hydrogen 2.921 N/A ASN 521.A N GLY 525.A O no hydrogen 2.839 N/A ASN 521.A ND2 GLY 542.A O no hydrogen 3.043 N/A ASN 521.A ND2 SER 544.A OG no hydrogen 2.802 N/A GLY 524.A N ASN 521.A O no hydrogen 2.878 N/A GLY 525.A N ASP 523.A OD1 no hydrogen 2.858 N/A TRP 526.A N THR 549.A OG1 no hydrogen 2.861 N/A TRP 526.A NE1 VAL 516.A O no hydrogen 2.860 N/A GLU 528.A N GLN 548.A OE1 no hydrogen 2.942 N/A ASP 529.A N LYS 541.A O no hydrogen 2.826 N/A CYS 530.A SG TYR 589.A O no hydrogen 3.893 N/A ARG 531.A N ASP 529.A OD2 no hydrogen 2.972 N/A ARG 531.A NH1 GLY 76.A O no hydrogen 3.271 N/A ARG 531.A NH1 ASP 529.A OD2 no hydrogen 2.928 N/A ARG 531.A NH2 GLY 76.A O no hydrogen 2.910 N/A SER 532.A N ASP 529.A O no hydrogen 3.007 N/A SER 532.A OG GLU 528.A OE2 no hydrogen 2.763 N/A SER 532.A OG TYR 538.A O no hydrogen 3.501 N/A TYR 533.A N CYS 530.A O no hydrogen 3.253 N/A TYR 533.A OH GLY 480.A O no hydrogen 2.699 N/A TYR 533.A OH THR 592.A OG1 no hydrogen 2.725 N/A GLU 534.A N ARG 531.A O no hydrogen 3.107 N/A ASP 535.A N ARG 531.A O no hydrogen 2.989 N/A ALA 537.A N ASP 535.A OD1 no hydrogen 2.907 N/A TYR 538.A N ASP 535.A O no hydrogen 2.911 N/A ALA 539.A N PRO 536.A O no hydrogen 3.147 N/A GLY 540.A N GLU 528.A OE2 no hydrogen 2.864 N/A LYS 541.A N TYR 538.A O no hydrogen 2.914 N/A SER 544.A OG ASP 523.A OD1 no hydrogen 2.739 N/A SER 544.A OG ASP 523.A OD2 no hydrogen 3.267 N/A THR 545.A N TRP 526.A O no hydrogen 3.047 N/A THR 545.A OG1 GLN 548.A OE1 no hydrogen 2.874 N/A SER 547.A N GLU 586.A OE2 no hydrogen 2.989 N/A SER 547.A OG GLU 586.A OE1 no hydrogen 3.390 N/A SER 547.A OG GLU 586.A OE2 no hydrogen 2.637 N/A SER 547.A OG THR 590.A OG1 no hydrogen 2.855 N/A GLN 548.A N THR 545.A OG1 no hydrogen 3.095 N/A GLN 548.A NE2 VAL 484.A O no hydrogen 2.943 N/A GLN 548.A NE2 GLU 528.A O no hydrogen 2.879 N/A THR 549.A N THR 545.A O no hydrogen 3.000 N/A THR 549.A OG1 TRP 526.A O no hydrogen 3.185 N/A THR 549.A OG1 THR 545.A O no hydrogen 2.865 N/A ALA 550.A N PRO 546.A O no hydrogen 2.958 N/A TRP 551.A N SER 547.A O no hydrogen 2.957 N/A ALA 552.A N GLN 548.A O no hydrogen 3.008 N/A LEU 553.A N THR 549.A O no hydrogen 2.901 N/A MET 554.A N ALA 550.A O no hydrogen 2.909 N/A ALA 555.A N TRP 551.A O no hydrogen 2.997 N/A LEU 556.A N ALA 552.A O no hydrogen 2.975 N/A ILE 557.A N LEU 553.A O no hydrogen 2.814 N/A ALA 558.A N MET 554.A O no hydrogen 2.933 N/A GLY 559.A N ALA 555.A O no hydrogen 2.967 N/A GLY 560.A N ILE 557.A O no hydrogen 3.157 N/A ARG 561.A N LEU 556.A O no hydrogen 2.709 N/A ARG 561.A NH1 ASP 514.A OD1 no hydrogen 3.025 N/A ARG 561.A NH1 GLU 517.A OE2 no hydrogen 2.772 N/A ARG 561.A NH2 GLN 510.A OE1 no hydrogen 2.878 N/A ARG 561.A NH2 ASP 514.A OD1 no hydrogen 2.911 N/A SER 564.A OG ARG 561.A O no hydrogen 2.687 N/A ALA 567.A N SER 564.A OG no hydrogen 3.092 N/A ARG 568.A N SER 564.A O no hydrogen 3.016 N/A ARG 568.A NH2 GLU 563.A OE1 no hydrogen 3.233 N/A ARG 569.A N GLU 565.A O no hydrogen 2.885 N/A ARG 569.A NH2 ASN 521.A O no hydrogen 3.112 N/A ARG 569.A NH2 PRO 522.A O no hydrogen 3.139 N/A GLY 570.A N ALA 566.A O no hydrogen 2.969 N/A VAL 571.A N ALA 567.A O no hydrogen 2.882 N/A GLN 572.A N ARG 568.A O no hydrogen 2.963 N/A GLN 572.A NE2 GLU 576.A OE2 no hydrogen 2.648 N/A TYR 573.A N ARG 569.A O no hydrogen 2.826 N/A LEU 574.A N GLY 570.A O no hydrogen 3.033 N/A VAL 575.A N VAL 571.A O no hydrogen 2.889 N/A GLU 576.A N GLN 572.A O no hydrogen 2.788 N/A THR 577.A N TYR 573.A O no hydrogen 2.933 N/A THR 577.A OG1 TYR 573.A O no hydrogen 2.827 N/A GLN 578.A N LEU 574.A O no hydrogen 3.136 N/A GLN 578.A NE2 THR 7.A O no hydrogen 3.088 N/A GLN 578.A NE2 GLY 582.A O no hydrogen 2.930 N/A ARG 579.A N GLY 583.A O no hydrogen 2.794 N/A ARG 579.A NE ASP 581.A OD1 no hydrogen 2.910 N/A ARG 579.A NH1 ASP 585.A OD1 no hydrogen 3.042 N/A ARG 579.A NH2 ASP 581.A OD1 no hydrogen 3.256 N/A ARG 579.A NH2 ASP 581.A OD2 no hydrogen 2.959 N/A GLY 582.A N ARG 579.A O no hydrogen 2.874 N/A GLY 583.A N ASP 581.A OD1 no hydrogen 2.970 N/A TRP 584.A N HIS 607.A ND1 no hydrogen 3.296 N/A TRP 584.A NE1 LEU 574.A O no hydrogen 2.857 N/A TYR 589.A OH SER 31.A O no hydrogen 2.567 N/A THR 590.A OG1 SER 547.A OG no hydrogen 2.855 N/A GLY 591.A N LEU 600.A O no hydrogen 2.849 N/A THR 592.A N TRP 482.A O no hydrogen 3.020 N/A THR 592.A OG1 TYR 533.A OH no hydrogen 2.725 N/A GLY 593.A N PHE 598.A O no hydrogen 2.760 N/A PHE 594.A N PHE 598.A O no hydrogen 2.921 N/A GLY 596.A N TYR 599.A OH no hydrogen 2.843 N/A ASP 597.A N PHE 594.A O no hydrogen 2.952 N/A PHE 598.A N PHE 594.A O no hydrogen 2.973 N/A LEU 600.A N GLY 591.A O no hydrogen 2.970 N/A GLY 601.A N LEU 30.A O no hydrogen 2.859 N/A THR 603.A N PRO 28.A O no hydrogen 3.412 N/A THR 603.A OG1 PRO 28.A O no hydrogen 2.718 N/A TYR 605.A N TYR 602.A O no hydrogen 3.050 N/A HIS 607.A N MET 604.A O no hydrogen 2.974 N/A VAL 608.A N MET 604.A O no hydrogen 2.901 N/A PHE 609.A N TYR 605.A O no hydrogen 3.013 N/A THR 611.A N HIS 607.A O no hydrogen 3.245 N/A THR 611.A OG1 HIS 607.A O no hydrogen 2.779 N/A LEU 612.A N VAL 608.A O no hydrogen 2.921 N/A ALA 613.A N PHE 609.A O no hydrogen 2.815 N/A LEU 614.A N PRO 610.A O no hydrogen 2.825 N/A GLY 615.A N THR 611.A O no hydrogen 2.972 N/A ARG 616.A N LEU 612.A O no hydrogen 2.922 N/A ARG 616.A NH1 SER 495.A OG no hydrogen 3.370 N/A ARG 616.A NH2 GLU 447.A OE2 no hydrogen 3.086 N/A TYR 617.A N ALA 613.A O no hydrogen 2.826 N/A LYS 618.A N LEU 614.A O no hydrogen 2.844 N/A GLN 619.A N GLY 615.A O no hydrogen 3.002 N/A GLN 619.A NE2 ALA 316.A O no hydrogen 3.154 N/A ALA 620.A N ARG 616.A O no hydrogen 2.925 N/A ILE 621.A N TYR 617.A O no hydrogen 2.898 N/A GLU 622.A N LYS 618.A O no hydrogen 2.827 N/A ARG 623.A N GLN 619.A O no hydrogen 3.103 N/A