Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ml1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N THR 2.A OG1 no hydrogen 3.245 N/A VAL 6.A N SER 4.A OG no hydrogen 3.196 N/A THR 7.A OG1 LEU 9.A O no hydrogen 2.838 N/A LYS 10.A N VAL 29.A O no hydrogen 2.922 N/A SER 12.A N VAL 27.A O no hydrogen 2.926 N/A SER 12.A OG TYR 584.A OH no hydrogen 3.373 N/A LYS 13.A NZ TYR 621.A O no hydrogen 3.154 N/A LYS 13.A NZ HIS 622.A O no hydrogen 3.173 N/A LYS 13.A NZ ALA 624.A O no hydrogen 2.861 N/A ALA 14.A N VAL 25.A O no hydrogen 3.003 N/A CYS 16.A N CYS 23.A O no hydrogen 2.879 N/A ARG 17.A NH1 ARG 17.A O no hydrogen 2.830 N/A CYS 19.A SG THR 21.A OG1 no hydrogen 3.212 N/A CYS 19.A SG MET 189.A O no hydrogen 3.632 N/A GLY 20.A N GLY 380.A O no hydrogen 2.730 N/A GLY 22.A N CYS 19.A O no hydrogen 3.113 N/A GLY 24.A N ASN 46.A OD1 no hydrogen 2.939 N/A VAL 25.A N ALA 14.A O no hydrogen 2.780 N/A THR 26.A N GLN 38.A O no hydrogen 2.876 N/A VAL 27.A N SER 12.A O no hydrogen 2.899 N/A ALA 28.A N ALA 36.A O no hydrogen 2.878 N/A VAL 29.A N LYS 10.A O no hydrogen 2.901 N/A LYS 30.A N LYS 33.A O no hydrogen 3.036 N/A ASN 32.A ND2 ASP 521.A O no hydrogen 3.172 N/A LYS 33.A N LYS 30.A O no hydrogen 3.010 N/A VAL 34.A N TYR 62.A OH no hydrogen 2.857 N/A VAL 35.A N ALA 28.A O no hydrogen 2.845 N/A THR 37.A OG1 GLY 54.A O no hydrogen 3.381 N/A GLN 38.A N THR 26.A O no hydrogen 2.867 N/A GLN 38.A NE2.A THR 37.A O no hydrogen 2.906 N/A GLN 38.A NE2.B THR 26.A OG1 no hydrogen 2.756 N/A ASP 40.A N GLY 24.A O no hydrogen 2.770 N/A GLN 42.A N ASP 40.A OD1 no hydrogen 2.865 N/A GLN 42.A NE2.B VAL 1.A O no hydrogen 3.546 N/A ALA 43.A N ASP 40.A O no hydrogen 3.099 N/A ASN 46.A ND2 GLY 24.A O no hydrogen 2.932 N/A ASN 46.A ND2 LEU 49.A O no hydrogen 2.891 N/A LYS 47.A N ALA 43.A O no hydrogen 2.793 N/A LYS 47.A NZ.B GLU 44.A O no hydrogen 2.627 N/A LEU 49.A N ASN 46.A O no hydrogen 3.015 N/A ASN 50.A N TYR 55.A OH no hydrogen 3.279 N/A LYS 53.A NZ LEU 693.A O no hydrogen 2.811 N/A TYR 55.A N CYS 51.A O no hydrogen 2.952 N/A PHE 56.A N LYS 53.A O no hydrogen 3.087 N/A LEU 57.A N GLY 54.A O no hydrogen 3.250 N/A LYS 59.A N PHE 56.A O no hydrogen 2.938 N/A LYS 59.A NZ GLU 707.A OE1 no hydrogen 2.947 N/A LYS 59.A NZ GLU 707.A OE2 no hydrogen 2.831 N/A ILE 60.A N LEU 57.A O no hydrogen 3.340 N/A TYR 62.A N LYS 59.A O no hydrogen 3.257 N/A GLY 63.A N TYR 482.A OH no hydrogen 2.949 N/A ARG 66.A N GLY 63.A O no hydrogen 3.137 N/A ARG 66.A NH1 MET 61.A O no hydrogen 2.922 N/A ARG 66.A NH1 GLU 501.A OE1 no hydrogen 3.491 N/A ARG 66.A NH1 GLU 501.A OE2 no hydrogen 2.870 N/A ARG 66.A NH2 SER 496.A O no hydrogen 3.210 N/A ARG 66.A NH2 GLU 501.A OE1 no hydrogen 2.725 N/A ARG 66.A NH2 GLU 501.A OE2 no hydrogen 3.500 N/A LEU 67.A N ALA 481.A O no hydrogen 2.859 N/A LEU 71.A N VAL 493.A O no hydrogen 2.901 N/A MET 72.A N ALA 86.A O no hydrogen 2.843 N/A ARG 73.A N ASP 491.A O no hydrogen 2.913 N/A ARG 73.A NE ALA 490.A O no hydrogen 2.819 N/A ARG 73.A NH1 GLY 83.A O no hydrogen 2.976 N/A ARG 73.A NH2 ALA 490.A O no hydrogen 3.181 N/A MET 74.A N ASP 84.A O no hydrogen 3.069 N/A LYS 75.A N LYS 78.A O no hydrogen 3.056 N/A LYS 78.A N LYS 75.A O no hydrogen 3.299 N/A ASP 80.A N ARG 73.A O no hydrogen 3.108 N/A LYS 81.A NZ TYR 469.A O no hydrogen 2.855 N/A LYS 81.A NZ ASN 471.A O no hydrogen 3.249 N/A LYS 81.A NZ ASN 474.A O no hydrogen 2.786 N/A LYS 81.A NZ ASP 491.A OD1 no hydrogen 3.424 N/A LYS 81.A NZ ASP 491.A OD2 no hydrogen 2.784 N/A ASN 82.A N ASP 80.A OD1 no hydrogen 2.809 N/A GLY 83.A N ASP 80.A O no hydrogen 3.014 N/A PHE 85.A N ASP 84.A OD1.A no hydrogen 2.815 N/A ALA 86.A N MET 72.A O no hydrogen 2.814 N/A VAL 88.A N PRO 70.A O no hydrogen 2.992 N/A THR 89.A N GLN 92.A OE1 no hydrogen 2.975 N/A TRP 90.A NE1 GLU 525.A O no hydrogen 2.761 N/A GLN 92.A N THR 89.A OG1 no hydrogen 3.011 N/A ALA 93.A N THR 89.A O no hydrogen 2.898 N/A PHE 94.A N TRP 90.A O no hydrogen 2.889 N/A ASP 95.A N ASP 91.A O no hydrogen 2.852 N/A GLU 96.A N GLN 92.A O no hydrogen 3.085 N/A MET 97.A N ALA 93.A O no hydrogen 2.948 N/A GLU 98.A N PHE 94.A O no hydrogen 2.750 N/A ARG 99.A N ASP 95.A O no hydrogen 2.989 N/A ARG 99.A NH1 GLU 96.A OE1 no hydrogen 2.849 N/A GLN 100.A N GLU 96.A O no hydrogen 2.917 N/A GLN 100.A NE2 GLU 96.A OE2 no hydrogen 2.856 N/A PHE 101.A N MET 97.A O no hydrogen 2.877 N/A LYS 102.A N GLU 98.A O no hydrogen 2.953 N/A LYS 102.A NZ GLU 98.A OE2 no hydrogen 2.829 N/A LYS 102.A NZ ARG 539.A O no hydrogen 2.865 N/A LYS 102.A NZ GLU 544.A OE1 no hydrogen 3.017 N/A LYS 102.A NZ GLU 544.A OE2 no hydrogen 2.870 N/A ARG 103.A N ARG 99.A O no hydrogen 3.031 N/A ARG 103.A NH2 GLN 100.A OE1 no hydrogen 2.835 N/A VAL 104.A N GLN 100.A O no hydrogen 3.125 N/A LEU 105.A N PHE 101.A O no hydrogen 2.815 N/A LYS 106.A N LYS 102.A O no hydrogen 2.920 N/A GLU 107.A N ARG 103.A O no hydrogen 2.986 N/A LYS 108.A N VAL 104.A O no hydrogen 2.827 N/A GLY 109.A N VAL 104.A O no hydrogen 3.170 N/A ALA 112.A N GLY 109.A O no hydrogen 3.019 N/A VAL 113.A N PRO 110.A O no hydrogen 3.355 N/A GLY 114.A N ALA 446.A O no hydrogen 2.873 N/A MET 115.A N ASN 141.A O no hydrogen 2.758 N/A PHE 116.A N TRP 448.A O no hydrogen 2.937 N/A GLY 117.A N ASP 143.A O no hydrogen 2.778 N/A SER 118.A OG VAL 451.A O no hydrogen 2.681 N/A GLY 119.A N ASN 145.A OD1 no hydrogen 2.878 N/A GLN 120.A N SER 118.A OG no hydrogen 2.811 N/A TRP 121.A N SER 118.A O no hydrogen 3.247 N/A TRP 121.A NE1 GLN 450.A OE1 no hydrogen 2.839 N/A THR 122.A N GLU 125.A OE1 no hydrogen 2.979 N/A VAL 123.A N ALA 505.A O no hydrogen 2.997 N/A TRP 124.A NE1 GLU 503.A O no hydrogen 2.955 N/A GLU 125.A N THR 122.A OG1 no hydrogen 3.095 N/A GLY 126.A N THR 122.A O no hydrogen 3.000 N/A TYR 127.A N VAL 123.A O no hydrogen 3.016 N/A TYR 127.A OH GLU 603.A OE1 no hydrogen 2.469 N/A ALA 128.A N TRP 124.A O no hydrogen 2.890 N/A ALA 129.A N GLU 125.A O no hydrogen 2.899 N/A ALA 130.A N GLY 126.A O no hydrogen 2.938 N/A LYS 131.A N TYR 127.A O no hydrogen 2.979 N/A LYS 131.A NZ LEU 566.A O no hydrogen 2.798 N/A LYS 131.A NZ GLU 603.A OE1 no hydrogen 2.769 N/A LYS 131.A NZ GLU 603.A OE2 no hydrogen 3.491 N/A LEU 132.A N ALA 128.A O no hydrogen 3.002 N/A TYR 133.A N ALA 129.A O no hydrogen 2.958 N/A TYR 133.A OH GLY 114.A O no hydrogen 2.884 N/A LYS 134.A N ALA 130.A O no hydrogen 2.858 N/A LYS 134.A NZ ASN 140.A OD1 no hydrogen 2.832 N/A LYS 134.A NZ PHE 394.A O no hydrogen 2.920 N/A LYS 134.A NZ ARG 397.A O no hydrogen 2.776 N/A ALA 135.A N LYS 131.A O no hydrogen 2.909 N/A GLY 136.A N LYS 131.A O no hydrogen 3.021 N/A PHE 137.A N LEU 132.A O no hydrogen 2.866 N/A ARG 138.A NE THR 423.A O no hydrogen 2.688 N/A ARG 138.A NH2 GLY 422.A O no hydrogen 3.068 N/A ARG 138.A NH2 THR 423.A O no hydrogen 3.227 N/A SER 139.A N TYR 133.A O no hydrogen 2.806 N/A SER 139.A OG PRO 110.A O no hydrogen 2.858 N/A SER 139.A OG VAL 113.A O no hydrogen 3.352 N/A ASN 140.A ND2 PRO 425.A O no hydrogen 2.934 N/A ASN 140.A ND2 LYS 427.A O no hydrogen 2.908 N/A ASN 141.A N SER 139.A OG no hydrogen 3.118 N/A ASN 141.A ND2 THR 111.A O no hydrogen 2.799 N/A ASN 141.A ND2 VAL 113.A O no hydrogen 2.934 N/A ASP 143.A N MET 115.A O no hydrogen 3.190 N/A ASN 145.A N GLY 117.A O no hydrogen 2.979 N/A ASN 145.A ND2 SER 118.A OG no hydrogen 3.167 N/A ASN 145.A ND2 GLN 120.A OE1 no hydrogen 3.682 N/A ARG 147.A N PRO 144.A O no hydrogen 2.850 N/A ARG 147.A NE ASP 143.A OD2 no hydrogen 2.858 N/A ARG 147.A NH1 SER 784.A O no hydrogen 2.841 N/A ARG 147.A NH2 ASP 143.A OD1 no hydrogen 2.887 N/A ARG 147.A NH2 HIS 396.A ND1 no hydrogen 3.283 N/A HIS 148.A N ASN 145.A O no hydrogen 2.863 N/A HIS 148.A NE2 ASN 454.A OD1 no hydrogen 2.879 N/A CYS 149.A N ALA 146.A O no hydrogen 3.124 N/A MET 150.A N ALA 146.A O no hydrogen 2.838 N/A SER 152.A N GLN 786.A OE1 no hydrogen 2.776 N/A SER 152.A OG ASN 346.A O no hydrogen 2.848 N/A SER 152.A OG SER 784.A OG no hydrogen 2.872 N/A SER 152.A OG GLN 786.A OE1 no hydrogen 3.320 N/A ALA 154.A N MET 150.A O no hydrogen 2.829 N/A ALA 155.A N ALA 151.A O no hydrogen 2.848 N/A GLY 156.A N SER 152.A O no hydrogen 2.864 N/A PHE 157.A N ALA 153.A O no hydrogen 2.816 N/A MET 158.A N ALA 154.A O no hydrogen 2.923 N/A ARG 159.A N ALA 155.A O no hydrogen 2.942 N/A ARG 159.A NH1 GLY 290.A O no hydrogen 2.978 N/A THR 160.A N GLY 156.A O no hydrogen 2.948 N/A THR 160.A OG1 GLY 156.A O no hydrogen 3.298 N/A THR 160.A OG1 ASN 356.A OD1 no hydrogen 2.886 N/A PHE 161.A N PHE 157.A O no hydrogen 2.745 N/A GLY 162.A N PHE 157.A O no hydrogen 3.172 N/A GLY 162.A N MET 158.A O no hydrogen 2.970 N/A ASP 164.A N ASP 401.A OD2 no hydrogen 3.122 N/A CYS 169.A N ASP 172.A OD2 no hydrogen 3.063 N/A CYS 169.A SG ASP 171.A OD1 no hydrogen 3.598 N/A CYS 169.A SG ARG 638.A O no hydrogen 3.606 N/A TYR 170.A N GLU 510.A OE1 no hydrogen 2.841 N/A TYR 170.A OH THR 21.A O no hydrogen 2.871 N/A ASP 172.A N CYS 169.A O no hydrogen 2.997 N/A PHE 173.A N TYR 170.A O no hydrogen 2.970 N/A GLU 174.A N ASP 171.A O no hydrogen 3.137 N/A ALA 175.A N ASP 172.A O no hydrogen 3.130 N/A ALA 176.A N ASP 172.A O no hydrogen 3.026 N/A ASP 177.A N LYS 336.A O no hydrogen 2.775 N/A ALA 178.A N LYS 336.A O no hydrogen 3.024 N/A PHE 179.A N ARG 208.A O no hydrogen 2.852 N/A VAL 180.A N MET 338.A O no hydrogen 2.915 N/A LEU 181.A N VAL 210.A O no hydrogen 2.825 N/A TRP 182.A N LEU 340.A O no hydrogen 2.855 N/A TRP 182.A NE1 TYR 330.A OH no hydrogen 2.862 N/A SER 184.A OG THR 342.A OG1 no hydrogen 2.819 N/A ASN 185.A ND2 GLU 188.A OE1 no hydrogen 2.970 N/A GLU 188.A N ASN 185.A O no hydrogen 3.275 N/A MET 189.A N ASN 185.A O no hydrogen 2.910 N/A HIS 190.A N MET 186.A O no hydrogen 2.887 N/A HIS 190.A NE2 THR 379.A O no hydrogen 2.891 N/A TRP 194.A N HIS 190.A O no hydrogen 2.887 N/A THR 195.A N PRO 191.A O no hydrogen 2.811 N/A THR 195.A OG1 PRO 191.A O no hydrogen 3.200 N/A ARG 196.A N ILE 192.A O no hydrogen 3.096 N/A ARG 196.A NE GLU 174.A OE2 no hydrogen 2.975 N/A ARG 196.A NH1 VAL 45.A O no hydrogen 2.979 N/A ARG 196.A NH2 GLU 174.A OE1 no hydrogen 2.792 N/A ARG 196.A NH2 GLU 174.A OE2 no hydrogen 3.503 N/A VAL 197.A N LEU 193.A O no hydrogen 2.943 N/A THR 198.A N TRP 194.A O no hydrogen 2.727 N/A THR 198.A OG1 TRP 194.A O no hydrogen 2.902 N/A ASP 199.A N THR 195.A O no hydrogen 2.863 N/A ARG 200.A N ARG 196.A O no hydrogen 3.055 N/A ARG 200.A NE ALA 176.A O no hydrogen 2.784 N/A ARG 200.A NH1 ALA 176.A O no hydrogen 3.122 N/A ARG 201.A N VAL 197.A O no hydrogen 2.854 N/A ARG 201.A NE ASP 224.A OD1 no hydrogen 3.442 N/A ARG 201.A NE ASP 224.A OD2 no hydrogen 2.889 N/A ARG 201.A NH1 ASP 224.A OD1 no hydrogen 2.860 N/A ARG 201.A NH2 ARG 201.A O no hydrogen 2.874 N/A LEU 202.A N THR 198.A O no hydrogen 2.808 N/A SER 203.A N ASP 199.A O no hydrogen 2.870 N/A SER 203.A OG ASP 199.A O no hydrogen 3.027 N/A SER 203.A OG ASP 199.A OD1 no hydrogen 3.023 N/A HIS 204.A N ARG 200.A O no hydrogen 2.917 N/A THR 207.A N HIS 204.A O no hydrogen 2.964 N/A THR 207.A OG1 HIS 204.A O no hydrogen 2.767 N/A ARG 208.A N ASP 177.A O no hydrogen 2.970 N/A ARG 208.A NE THR 207.A O no hydrogen 2.888 N/A ARG 208.A NH2 THR 207.A O no hydrogen 3.038 N/A VAL 209.A N ASP 224.A OD2 no hydrogen 2.819 N/A VAL 210.A N PHE 179.A O no hydrogen 2.797 N/A VAL 211.A N ILE 225.A O no hydrogen 2.942 N/A LEU 212.A N LEU 181.A O no hydrogen 2.871 N/A SER 213.A N ILE 227.A O no hydrogen 2.878 N/A SER 213.A OG PHE 215.A O no hydrogen 2.593 N/A SER 213.A OG HIS 217.A NE2 no hydrogen 3.237 N/A PHE 215.A N SER 213.A OG no hydrogen 3.261 N/A THR 216.A N ALA 755.A O no hydrogen 3.033 N/A CYS 219.A N HIS 217.A ND1 no hydrogen 3.186 N/A CYS 219.A SG SER 184.A O no hydrogen 3.945 N/A CYS 219.A SG ASN 185.A OD1 no hydrogen 3.466 N/A PHE 220.A N HIS 217.A O no hydrogen 2.917 N/A ASP 221.A N ARG 218.A O no hydrogen 3.073 N/A LEU 222.A N CYS 219.A O no hydrogen 3.116 N/A ASP 224.A N VAL 209.A O no hydrogen 2.684 N/A ILE 225.A N VAL 209.A O no hydrogen 3.287 N/A ILE 227.A N VAL 211.A O no hydrogen 2.824 N/A PHE 229.A N SER 213.A O no hydrogen 3.050 N/A LYS 230.A N SER 316.A O no hydrogen 2.918 N/A GLN 232.A NE2 THR 349.A OG1 no hydrogen 3.088 N/A GLN 232.A NE2 GLU 673.A O no hydrogen 3.187 N/A THR 233.A N LYS 230.A O no hydrogen 3.082 N/A THR 233.A OG1 LYS 230.A O no hydrogen 2.669 N/A LEU 235.A N GLN 232.A O no hydrogen 3.464 N/A ALA 236.A N THR 233.A O no hydrogen 2.969 N/A MET 237.A N THR 233.A O no hydrogen 3.070 N/A LEU 238.A N ASP 234.A O no hydrogen 2.798 N/A ASN 239.A N LEU 235.A O no hydrogen 3.200 N/A ASN 239.A ND2 LEU 670.A O no hydrogen 2.818 N/A TYR 240.A N ALA 236.A O no hydrogen 2.896 N/A TYR 240.A OH ASP 324.A OD1 no hydrogen 2.474 N/A ILE 241.A N MET 237.A O no hydrogen 3.096 N/A ALA 242.A N LEU 238.A O no hydrogen 3.149 N/A ASN 243.A N ASN 239.A O no hydrogen 2.862 N/A ASN 243.A ND2 TYR 307.A O no hydrogen 3.171 N/A TYR 244.A N TYR 240.A O no hydrogen 2.788 N/A TYR 244.A OH GLU 328.A OE1 no hydrogen 2.661 N/A ILE 245.A N ILE 241.A O no hydrogen 2.857 N/A ILE 246.A N ALA 242.A O no hydrogen 3.097 N/A ARG 247.A N ASN 243.A O no hydrogen 2.707 N/A ASN 248.A N TYR 244.A O no hydrogen 2.985 N/A ASN 249.A N ILE 246.A O no hydrogen 3.003 N/A LYS 250.A N ILE 245.A O no hydrogen 2.850 N/A ASN 252.A N LEU 364.A O no hydrogen 2.864 N/A ASN 252.A ND2 THR 365.A O no hydrogen 3.247 N/A PHE 255.A N ASN 252.A OD1 no hydrogen 3.106 N/A VAL 256.A N ASN 252.A O no hydrogen 2.868 N/A ASN 257.A N LYS 253.A O no hydrogen 2.895 N/A LYS 258.A N ASP 254.A O no hydrogen 3.022 N/A LYS 258.A NZ ASP 254.A OD1 no hydrogen 3.161 N/A LYS 258.A NZ ASP 254.A OD2 no hydrogen 2.974 N/A HIS 259.A N PHE 255.A O no hydrogen 2.843 N/A THR 260.A N VAL 256.A O no hydrogen 3.115 N/A THR 260.A OG1 VAL 256.A O no hydrogen 2.765 N/A VAL 261.A N ALA 665.A O no hydrogen 2.969 N/A LYS 263.A N ILE 667.A O no hydrogen 2.856 N/A GLU 264.A N LYS 293.A O no hydrogen 2.870 N/A GLY 265.A N ALA 669.A O no hydrogen 3.119 N/A VAL 266.A N ALA 291.A O no hydrogen 2.947 N/A ASP 268.A N GLU 673.A OE2 no hydrogen 2.740 N/A TYR 271.A OH PRO 674.A O no hydrogen 2.545 N/A ARG 274.A NE GLU 464.A OE2 no hydrogen 2.884 N/A ARG 274.A NH1 ASP 441.A OD1 no hydrogen 3.551 N/A ARG 274.A NH1 ASP 441.A OD2 no hydrogen 2.889 N/A ARG 274.A NH2 ARG 437.A O no hydrogen 3.163 N/A ARG 274.A NH2 ASP 441.A OD1 no hydrogen 3.268 N/A ARG 274.A NH2 ASP 441.A OD2 no hydrogen 3.500 N/A ARG 274.A NH2 GLU 464.A OE1 no hydrogen 2.913 N/A ARG 274.A NH2 GLU 464.A OE2 no hydrogen 3.537 N/A HIS 277.A N ARG 274.A O no hydrogen 2.937 N/A GLN 280.A N HIS 277.A O no hydrogen 2.959 N/A LYS 281.A N HIS 277.A O no hydrogen 3.051 N/A LYS 281.A NZ ASP 276.A OD1.A no hydrogen 2.970 N/A ALA 282.A N PRO 278.A O no hydrogen 2.946 N/A ALA 283.A N GLN 280.A O no hydrogen 3.235 N/A LYS 284.A N ASP 268.A OD2 no hydrogen 3.071 N/A ASN 285.A N ASP 268.A O no hydrogen 3.016 N/A ASN 285.A ND2 THR 267.A O no hydrogen 2.798 N/A ALA 291.A N ASP 288.A O no hydrogen 3.441 N/A LYS 293.A N GLU 264.A O no hydrogen 3.003 N/A ILE 295.A N PHE 262.A O no hydrogen 2.996 N/A THR 296.A N GLU 299.A OE1 no hydrogen 2.953 N/A THR 296.A OG1 GLU 299.A OE1 no hydrogen 3.411 N/A GLU 299.A N THR 296.A OG1 no hydrogen 3.125 N/A PHE 300.A N THR 296.A O no hydrogen 2.980 N/A ALA 301.A N PHE 297.A O no hydrogen 2.833 N/A LYS 302.A N ASP 298.A O no hydrogen 2.914 N/A LYS 302.A NZ ASP 298.A OD1 no hydrogen 2.921 N/A LYS 302.A NZ ASP 298.A OD2 no hydrogen 2.971 N/A PHE 303.A N GLU 299.A O no hydrogen 2.927 N/A VAL 304.A N PHE 300.A O no hydrogen 3.024 N/A SER 305.A N ALA 301.A O no hydrogen 3.013 N/A SER 305.A N LYS 302.A O no hydrogen 3.262 N/A SER 305.A OG LYS 302.A O no hydrogen 2.657 N/A TYR 307.A N VAL 304.A O no hydrogen 2.949 N/A TYR 311.A N ASP 308.A OD1 no hydrogen 3.093 N/A VAL 312.A N ASP 308.A O no hydrogen 2.933 N/A SER 313.A N ALA 309.A O no hydrogen 2.877 N/A SER 313.A OG.A VAL 318.A O no hydrogen 2.744 N/A SER 313.A OG.B ALA 309.A O no hydrogen 2.789 N/A SER 313.A OG.B ASP 310.A O no hydrogen 3.519 N/A LYS 314.A N ASP 310.A O no hydrogen 3.176 N/A LEU 315.A N TYR 311.A O no hydrogen 2.931 N/A SER 316.A N VAL 312.A O no hydrogen 2.870 N/A SER 316.A OG VAL 312.A O no hydrogen 2.735 N/A VAL 318.A N SER 316.A OG no hydrogen 3.099 N/A LYS 322.A N PRO 319.A O no hydrogen 3.054 N/A LYS 322.A NZ GLY 226.A O no hydrogen 2.850 N/A LEU 323.A N PRO 319.A O no hydrogen 3.142 N/A ASP 324.A N LYS 320.A O no hydrogen 2.942 N/A GLN 325.A N ALA 321.A O no hydrogen 2.981 N/A LEU 326.A N LYS 322.A O no hydrogen 3.068 N/A ALA 327.A N LEU 323.A O no hydrogen 2.835 N/A GLU 328.A N ASP 324.A O no hydrogen 2.916 N/A LEU 329.A N LEU 326.A O no hydrogen 3.145 N/A TYR 330.A N LEU 326.A O no hydrogen 3.502 N/A TYR 330.A OH SER 339.A OG no hydrogen 2.629 N/A ALA 331.A N ALA 327.A O no hydrogen 2.862 N/A ASP 332.A N GLU 328.A O no hydrogen 2.975 N/A ASN 334.A N ASP 332.A OD1 no hydrogen 2.998 N/A ILE 335.A N ASP 332.A O no hydrogen 3.184 N/A LYS 336.A N ASP 177.A OD2 no hydrogen 2.883 N/A VAL 337.A N ASN 373.A OD1 no hydrogen 2.960 N/A MET 338.A N ALA 178.A O no hydrogen 2.900 N/A SER 339.A N SER 374.A O no hydrogen 2.956 N/A SER 339.A OG TYR 330.A OH no hydrogen 2.629 N/A LEU 340.A N VAL 180.A O no hydrogen 2.834 N/A TRP 341.A NE1 ASN 355.A OD1 no hydrogen 2.815 N/A THR 342.A OG1 SER 184.A OG no hydrogen 2.819 N/A ASN 346.A N THR 342.A O no hydrogen 3.210 N/A ASN 346.A ND2 CYS 149.A O no hydrogen 3.177 N/A GLN 347.A N MET 343.A O no hydrogen 2.735 N/A GLN 347.A NE2 HIS 148.A O no hydrogen 3.343 N/A HIS 348.A NE2 ASP 234.A OD1 no hydrogen 2.978 N/A THR 349.A N ASP 788.A OD2 no hydrogen 3.019 N/A ARG 350.A N HIS 348.A ND1 no hydrogen 2.875 N/A ARG 350.A NE GLU 673.A OE1 no hydrogen 2.948 N/A ARG 350.A NH1 GLY 270.A O no hydrogen 2.830 N/A ARG 350.A NH1 THR 349.A O no hydrogen 2.758 N/A ARG 350.A NH2 GLY 270.A O no hydrogen 2.946 N/A ARG 350.A NH2 GLU 673.A OE1 no hydrogen 2.850 N/A GLY 351.A N HIS 348.A O no hydrogen 2.824 N/A ALA 354.A N ARG 350.A O no hydrogen 2.889 N/A ASN 355.A N GLY 351.A O no hydrogen 3.024 N/A ASN 355.A ND2 ASN 346.A OD1 no hydrogen 2.933 N/A ASN 355.A ND2 GLY 351.A O no hydrogen 2.962 N/A ASN 356.A N THR 352.A O no hydrogen 3.014 N/A MET 357.A N TRP 353.A O no hydrogen 2.730 N/A VAL 358.A N ALA 354.A O no hydrogen 2.959 N/A TYR 359.A N ASN 355.A O no hydrogen 3.121 N/A ASN 360.A N ASN 356.A O no hydrogen 2.994 N/A LEU 361.A N VAL 358.A O no hydrogen 3.105 N/A HIS 362.A NE2 VAL 337.A O no hydrogen 3.333 N/A LEU 363.A N TYR 359.A O no hydrogen 2.853 N/A LEU 364.A N ASN 360.A O no hydrogen 2.788 N/A THR 365.A OG1 LEU 361.A O no hydrogen 2.956 N/A THR 365.A OG1 HIS 362.A O no hydrogen 3.228 N/A GLY 366.A N LEU 363.A O no hydrogen 3.392 N/A LYS 367.A N HIS 362.A O no hydrogen 2.785 N/A LYS 367.A NZ TYR 330.A O no hydrogen 2.858 N/A LYS 367.A NZ ASP 332.A O no hydrogen 2.715 N/A LYS 367.A NZ ILE 335.A O no hydrogen 2.766 N/A ILE 368.A N GLY 366.A O no hydrogen 3.071 N/A GLY 372.A N ASP 172.A OD1 no hydrogen 2.855 N/A ASN 373.A N THR 370.A O no hydrogen 3.031 N/A SER 374.A N VAL 337.A O no hydrogen 2.946 N/A SER 374.A OG ASP 172.A OD2 no hydrogen 2.810 N/A PHE 376.A N SER 339.A O no hydrogen 2.777 N/A LEU 378.A N TRP 341.A O no hydrogen 2.877 N/A GLN 381.A NE2 GLN 120.A OE1 no hydrogen 2.998 N/A SER 383.A N GLY 119.A O no hydrogen 2.807 N/A SER 383.A OG THR 387.A OG1 no hydrogen 2.827 N/A CYS 385.A SG THR 379.A OG1 no hydrogen 2.939 N/A GLY 386.A N GLY 507.A O no hydrogen 3.070 N/A THR 387.A N SER 383.A O no hydrogen 2.869 N/A THR 387.A OG1 TRP 121.A O no hydrogen 2.772 N/A THR 387.A OG1 SER 383.A OG no hydrogen 2.827 N/A ALA 388.A N SER 383.A O no hydrogen 3.177 N/A ARG 389.A N ALA 384.A O no hydrogen 2.839 N/A ARG 389.A NE ASP 164.A OD2 no hydrogen 2.876 N/A ARG 389.A NH2 ASP 164.A OD1 no hydrogen 2.658 N/A ARG 389.A NH2 ASP 164.A OD2 no hydrogen 3.364 N/A GLU 390.A N CYS 385.A O no hydrogen 2.955 N/A VAL 391.A N THR 387.A O no hydrogen 2.990 N/A GLY 392.A N ALA 388.A O no hydrogen 2.955 N/A THR 393.A N ALA 388.A O no hydrogen 2.928 N/A SER 395.A N ASP 143.A OD1 no hydrogen 2.721 N/A SER 395.A OG ASP 143.A OD1 no hydrogen 3.286 N/A ARG 397.A N PHE 394.A O no hydrogen 3.203 N/A ARG 397.A NE LEU 398.A O no hydrogen 3.050 N/A ARG 397.A NE MET 402.A O no hydrogen 2.800 N/A ARG 397.A NH1 ARG 389.A O no hydrogen 2.904 N/A ARG 397.A NH2 ARG 389.A O no hydrogen 2.940 N/A ARG 397.A NH2 LEU 398.A O no hydrogen 2.732 N/A LEU 398.A N MET 402.A O no hydrogen 2.898 N/A ALA 400.A N GLU 390.A O no hydrogen 2.978 N/A MET 402.A N PRO 399.A O no hydrogen 3.167 N/A VAL 403.A N HIS 409.A ND1 no hydrogen 3.073 N/A VAL 404.A N HIS 396.A O no hydrogen 2.915 N/A ASN 406.A N VAL 403.A O no hydrogen 3.179 N/A LYS 408.A N ASN 406.A OD1 no hydrogen 2.880 N/A HIS 409.A N ASN 406.A OD1 no hydrogen 3.391 N/A ARG 410.A N ASN 406.A O no hydrogen 3.060 N/A ARG 410.A NH1 VAL 404.A O no hydrogen 2.911 N/A GLU 411.A N PRO 407.A O no hydrogen 2.937 N/A GLU 412.A N LYS 408.A O no hydrogen 3.021 N/A ALA 413.A N HIS 409.A O no hydrogen 3.067 N/A GLU 414.A N ARG 410.A O no hydrogen 2.813 N/A ARG 415.A N GLU 411.A O no hydrogen 2.896 N/A ARG 415.A NE GLU 412.A OE1 no hydrogen 2.934 N/A ARG 415.A NH2 GLU 412.A OE1 no hydrogen 3.351 N/A ARG 415.A NH2 GLU 412.A OE2 no hydrogen 2.968 N/A ILE 416.A N GLU 412.A O no hydrogen 2.981 N/A TRP 417.A N ALA 413.A O no hydrogen 2.823 N/A TRP 417.A NE1 TYR 127.A OH no hydrogen 2.741 N/A LYS 418.A N ARG 415.A O no hydrogen 3.297 N/A LYS 418.A NZ ASN 569.A O no hydrogen 2.666 N/A LEU 419.A N GLU 414.A O no hydrogen 2.817 N/A GLY 422.A N GLU 414.A OE1 no hydrogen 3.248 N/A THR 423.A N PRO 420.A O no hydrogen 3.107 N/A THR 423.A OG1 PRO 420.A O no hydrogen 2.594 N/A ILE 424.A N GLU 414.A OE2 no hydrogen 2.950 N/A LYS 427.A NZ ASP 426.A OD1 no hydrogen 3.375 N/A GLY 429.A N SER 395.A O no hydrogen 3.012 N/A TYR 430.A N ASN 141.A OD1 no hydrogen 2.799 N/A ALA 432.A N ASP 143.A OD2 no hydrogen 2.814 N/A LEU 434.A N ASP 431.A OD2 no hydrogen 3.341 N/A GLN 435.A N ASP 431.A O no hydrogen 2.688 N/A ASN 436.A N ALA 432.A O no hydrogen 3.383 N/A ARG 437.A N VAL 433.A O no hydrogen 3.243 N/A ARG 437.A NE ASP 778.A OD2 no hydrogen 3.273 N/A ARG 437.A NH1 GLY 272.A O no hydrogen 2.942 N/A ARG 437.A NH2 GLY 272.A O no hydrogen 3.107 N/A ARG 437.A NH2 ASP 778.A OD2 no hydrogen 2.972 N/A MET 438.A N LEU 434.A O no hydrogen 2.790 N/A LEU 439.A N GLN 435.A O no hydrogen 2.826 N/A LYS 440.A N ASN 436.A O no hydrogen 2.935 N/A LYS 440.A NZ GLU 463.A O no hydrogen 2.811 N/A ASP 441.A N ARG 437.A O no hydrogen 2.909 N/A GLY 442.A N LEU 439.A O no hydrogen 3.158 N/A LYS 443.A N MET 438.A O no hydrogen 2.874 N/A LEU 444.A N MET 438.A O no hydrogen 3.291 N/A ASN 445.A N ALA 112.A O no hydrogen 2.773 N/A ALA 446.A N ALA 112.A O no hydrogen 3.152 N/A TYR 447.A N PHE 475.A O no hydrogen 2.989 N/A TRP 448.A N GLY 114.A O no hydrogen 3.086 N/A TRP 448.A NE1 SER 479.A OG no hydrogen 2.881 N/A VAL 449.A N VAL 477.A O no hydrogen 2.794 N/A GLN 450.A N PHE 116.A O no hydrogen 2.916 N/A ASN 452.A ND2 PHE 116.A O no hydrogen 2.882 N/A ASN 452.A ND2 GLY 117.A O no hydrogen 3.287 N/A ASN 452.A ND2 GLN 450.A O no hydrogen 2.970 N/A ASN 453.A ND2 SER 698.A OG no hydrogen 2.910 N/A ASN 454.A N ASN 452.A OD1 no hydrogen 2.987 N/A MET 455.A N THR 486.A OG1 no hydrogen 2.792 N/A GLN 456.A N ASN 453.A O no hydrogen 2.873 N/A ALA 457.A N ASN 453.A O no hydrogen 3.014 N/A ALA 458.A N ASN 454.A O no hydrogen 2.882 N/A ASN 460.A ND2 GLU 463.A OE1 no hydrogen 3.056 N/A ASN 460.A ND2 ASP 778.A OD1 no hydrogen 2.943 N/A LEU 461.A N ASN 773.A O no hydrogen 2.902 N/A GLU 463.A N ASN 460.A O no hydrogen 3.172 N/A GLU 464.A N ASN 460.A O no hydrogen 3.026 N/A LEU 466.A N LEU 461.A O no hydrogen 2.915 N/A GLY 468.A N GLU 464.A O no hydrogen 2.899 N/A TYR 469.A N GLY 465.A O no hydrogen 2.815 N/A ARG 470.A N LEU 466.A O no hydrogen 3.046 N/A ARG 470.A NH1 ALA 489.A O no hydrogen 2.883 N/A ARG 470.A NH1 ASP 491.A OD1 no hydrogen 2.761 N/A ARG 470.A NH2 ASP 491.A OD1 no hydrogen 3.546 N/A ASN 471.A ND2 LEU 439.A O no hydrogen 3.239 N/A ASN 471.A ND2 LYS 440.A O no hydrogen 3.171 N/A ALA 473.A N ASN 471.A OD1 no hydrogen 2.964 N/A ASN 474.A N ASN 471.A O no hydrogen 2.944 N/A ASN 474.A ND2 LEU 439.A O no hydrogen 2.839 N/A ASN 474.A ND2 GLY 468.A O no hydrogen 2.838 N/A PHE 475.A N ASN 445.A O no hydrogen 2.874 N/A ILE 476.A N ASP 491.A OD2 no hydrogen 2.873 N/A VAL 477.A N TYR 447.A O no hydrogen 2.726 N/A VAL 478.A N LEU 492.A O no hydrogen 2.848 N/A SER 479.A N VAL 449.A O no hydrogen 2.828 N/A ASP 480.A N LEU 494.A O no hydrogen 3.111 N/A ALA 481.A N ASP 480.A OD2 no hydrogen 2.686 N/A TYR 482.A N ASP 480.A OD2 no hydrogen 2.894 N/A TYR 482.A OH ILE 60.A O no hydrogen 2.625 N/A THR 486.A N ASN 453.A OD1 no hydrogen 3.240 N/A THR 486.A OG1 ASN 453.A OD1 no hydrogen 2.572 N/A ALA 487.A N THR 484.A OG1 no hydrogen 2.831 N/A LEU 488.A N THR 484.A O no hydrogen 2.925 N/A ALA 489.A N VAL 485.A O no hydrogen 3.091 N/A ALA 489.A N THR 486.A O no hydrogen 3.219 N/A ALA 490.A N ALA 487.A O no hydrogen 2.999 N/A ASP 491.A N ILE 476.A O no hydrogen 2.770 N/A LEU 492.A N ILE 476.A O no hydrogen 3.157 N/A VAL 493.A N LEU 71.A O no hydrogen 2.846 N/A LEU 494.A N VAL 478.A O no hydrogen 2.843 N/A SER 496.A N ASP 480.A O no hydrogen 2.878 N/A SER 496.A OG LEU 494.A O no hydrogen 3.204 N/A SER 496.A OG GLN 532.A OE1 no hydrogen 2.893 N/A ALA 497.A N ARG 527.A O no hydrogen 2.918 N/A MET 498.A N GLU 501.A OE1 no hydrogen 2.861 N/A TRP 499.A NE1 PRO 15.A O no hydrogen 3.079 N/A GLU 501.A N MET 498.A O no hydrogen 2.842 N/A LYS 502.A N TRP 499.A O no hydrogen 3.177 N/A LYS 502.A NZ GLU 125.A OE1 no hydrogen 3.478 N/A LYS 502.A NZ GLU 125.A OE2 no hydrogen 2.876 N/A LYS 502.A NZ ALA 497.A O no hydrogen 3.056 N/A GLY 504.A N TRP 516.A O no hydrogen 2.886 N/A TYR 506.A N GLN 514.A O no hydrogen 2.924 N/A TYR 506.A OH GLN 120.A O no hydrogen 2.808 N/A GLY 507.A N SER 383.A OG no hydrogen 2.944 N/A ASN 508.A N ARG 512.A O no hydrogen 2.905 N/A ASN 508.A ND2 THR 21.A O no hydrogen 2.973 N/A ALA 509.A N GLY 20.A O no hydrogen 3.140 N/A GLU 510.A N ASN 508.A OD1 no hydrogen 2.967 N/A ARG 511.A N ASN 508.A O no hydrogen 3.244 N/A ARG 511.A NE PRO 166.A O no hydrogen 2.940 N/A ARG 511.A NH1 GLY 168.A O no hydrogen 2.733 N/A ARG 511.A NH1 ARG 638.A O no hydrogen 2.758 N/A ARG 511.A NH2 TRP 629.A O no hydrogen 2.722 N/A ARG 511.A NH2 THR 637.A O no hydrogen 3.011 N/A ARG 512.A N ASN 508.A OD1 no hydrogen 2.895 N/A ARG 512.A NE GLU 510.A OE2 no hydrogen 2.976 N/A ARG 512.A NH1 ARG 625.A O no hydrogen 3.226 N/A ARG 512.A NH1 GLY 626.A O no hydrogen 3.390 N/A ARG 512.A NH2 GLU 44.A OE1 no hydrogen 3.084 N/A ARG 512.A NH2 GLU 510.A OE2 no hydrogen 3.108 N/A THR 513.A N LEU 627.A O no hydrogen 3.137 N/A GLN 514.A N TYR 506.A O no hydrogen 2.762 N/A GLN 514.A NE2 GLY 22.A O no hydrogen 2.892 N/A TRP 516.A N GLY 504.A O no hydrogen 2.873 N/A TRP 516.A NE1 TRP 499.A O no hydrogen 2.996 N/A GLN 518.A NE2 VAL 520.A O no hydrogen 3.152 N/A LEU 519.A N VAL 500.A O no hydrogen 2.748 N/A VAL 520.A N VAL 500.A O no hydrogen 3.222 N/A ASP 521.A N ASN 32.A OD1 no hydrogen 2.780 N/A GLU 525.A N THR 68.A O no hydrogen 2.842 N/A ALA 526.A N PRO 523.A O no hydrogen 3.035 N/A ARG 527.A N PRO 495.A O no hydrogen 3.078 N/A SER 528.A OG GLU 588.A OE2 no hydrogen 2.548 N/A LEU 530.A N GLU 125.A OE2 no hydrogen 3.276 N/A TRP 531.A N SER 528.A OG no hydrogen 2.930 N/A GLN 532.A N SER 528.A O no hydrogen 3.038 N/A GLN 532.A NE2 SER 479.A OG no hydrogen 2.675 N/A LEU 533.A N ASP 529.A O no hydrogen 3.027 N/A VAL 534.A N LEU 530.A O no hydrogen 3.143 N/A GLU 535.A N TRP 531.A O no hydrogen 2.841 N/A PHE 536.A N GLN 532.A O no hydrogen 2.937 N/A ALA 537.A N LEU 533.A O no hydrogen 3.189 N/A LYS 538.A N GLU 535.A O no hydrogen 3.120 N/A LYS 538.A NZ GLU 535.A OE1 no hydrogen 2.914 N/A ARG 539.A N PHE 536.A O no hydrogen 2.952 N/A ARG 539.A NH1 ASP 95.A OD1 no hydrogen 2.737 N/A ARG 539.A NH1 GLU 98.A OE1 no hydrogen 2.891 N/A ARG 539.A NH2 ASP 91.A O no hydrogen 3.546 N/A ARG 539.A NH2 ASP 95.A OD1 no hydrogen 3.388 N/A PHE 540.A N ALA 537.A O no hydrogen 3.458 N/A LYS 541.A N GLU 544.A OE1 no hydrogen 2.902 N/A VAL 542.A N LYS 560.A O no hydrogen 2.857 N/A GLU 543.A N GLU 543.A OE1 no hydrogen 2.781 N/A GLU 544.A N LYS 541.A O no hydrogen 2.933 N/A VAL 545.A N VAL 542.A O no hydrogen 2.972 N/A TRP 546.A N VAL 542.A O no hydrogen 2.694 N/A TRP 546.A NE1 ALA 135.A O no hydrogen 2.979 N/A GLU 549.A N GLU 549.A OE1 no hydrogen 2.870 N/A LEU 550.A N PRO 547.A O no hydrogen 3.012 N/A ILE 551.A N PRO 547.A O no hydrogen 3.214 N/A ALA 552.A N PRO 548.A O no hydrogen 2.920 N/A LYS 553.A N LEU 550.A O no hydrogen 2.968 N/A LYS 553.A NZ PRO 421.A O no hydrogen 2.710 N/A LYS 554.A N ILE 551.A O no hydrogen 2.929 N/A GLU 556.A N GLU 556.A OE1 no hydrogen 2.968 N/A TYR 557.A N LYS 554.A O no hydrogen 2.978 N/A TYR 557.A OH LYS 418.A O no hydrogen 2.620 N/A LYS 558.A N PRO 555.A O no hydrogen 3.138 N/A GLY 559.A N GLU 543.A OE2 no hydrogen 2.936 N/A LYS 560.A N TYR 557.A O no hydrogen 2.972 N/A THR 561.A N ASP 564.A OD2 no hydrogen 3.043 N/A LEU 562.A N PHE 540.A O no hydrogen 2.811 N/A TYR 563.A N ALA 537.A O no hydrogen 3.273 N/A ASP 564.A N THR 561.A OG1 no hydrogen 3.146 N/A VAL 565.A N THR 561.A O no hydrogen 3.034 N/A LEU 566.A N LEU 562.A O no hydrogen 2.843 N/A TYR 567.A N TYR 563.A O no hydrogen 2.899 N/A TYR 567.A OH ALA 128.A O no hydrogen 2.690 N/A ARG 568.A N TYR 563.A O no hydrogen 2.984 N/A ARG 568.A NE ASP 573.A OD2 no hydrogen 2.876 N/A ARG 568.A NH1 ASP 573.A OD2 no hydrogen 3.024 N/A ASN 569.A ND2 GLU 603.A OE2 no hydrogen 2.932 N/A GLY 570.A N ASP 573.A OD1 no hydrogen 2.731 N/A GLN 571.A N ASN 569.A OD1 no hydrogen 2.898 N/A VAL 572.A N ASN 569.A OD1 no hydrogen 2.822 N/A LYS 574.A N GLN 571.A O no hydrogen 3.209 N/A ASP 579.A N PRO 576.A O no hydrogen 2.956 N/A VAL 580.A N LEU 577.A O no hydrogen 3.020 N/A GLU 583.A N ASN 581.A OD1 no hydrogen 2.971 N/A TYR 584.A N ASN 581.A O no hydrogen 3.380 N/A TYR 584.A OH SER 12.A OG no hydrogen 3.373 N/A HIS 585.A ND1 ASP 521.A OD1 no hydrogen 2.698 N/A ASN 586.A ND2 GLN 597.A OE1 no hydrogen 2.947 N/A ALA 587.A N GLN 518.A OE1 no hydrogen 2.944 N/A GLU 588.A N GLU 588.A OE1 no hydrogen 2.722 N/A ALA 589.A N ASN 586.A OD1 no hydrogen 2.996 N/A LYS 590.A N ASN 586.A O no hydrogen 3.059 N/A ALA 591.A N ALA 587.A O no hydrogen 3.005 N/A PHE 592.A N GLU 588.A O no hydrogen 2.963 N/A GLY 593.A N ALA 589.A O no hydrogen 2.765 N/A TYR 595.A N PHE 575.A O no hydrogen 2.903 N/A TYR 595.A OH GLU 503.A OE2 no hydrogen 2.647 N/A GLN 597.A N GLN 597.A OE1 no hydrogen 2.806 N/A GLN 597.A NE2 ASN 586.A OD1 no hydrogen 2.970 N/A LYS 598.A NZ ASP 579.A OD2 no hydrogen 3.394 N/A LYS 598.A NZ ASP 619.A OD2 no hydrogen 3.561 N/A GLY 599.A N TYR 595.A O no hydrogen 3.054 N/A LEU 600.A N LEU 596.A O no hydrogen 2.862 N/A PHE 601.A N GLN 597.A O no hydrogen 2.929 N/A GLU 602.A N LYS 598.A O no hydrogen 2.878 N/A GLU 603.A N GLY 599.A O no hydrogen 3.054 N/A TYR 604.A N LEU 600.A O no hydrogen 2.864 N/A ALA 605.A N PHE 601.A O no hydrogen 2.768 N/A THR 606.A N GLU 603.A O no hydrogen 3.079 N/A THR 606.A OG1 GLU 602.A O no hydrogen 3.050 N/A THR 606.A OG1 GLU 603.A O no hydrogen 3.272 N/A PHE 607.A N TYR 604.A O no hydrogen 3.013 N/A GLY 608.A N ALA 605.A O no hydrogen 3.295 N/A ARG 609.A N ALA 605.A O no hydrogen 3.176 N/A ARG 609.A NE LEU 615.A O no hydrogen 2.851 N/A ARG 609.A NH1 GLU 602.A OE1 no hydrogen 2.969 N/A ARG 609.A NH2 GLU 602.A OE1 no hydrogen 3.463 N/A ARG 609.A NH2 GLU 602.A OE2 no hydrogen 2.911 N/A ARG 609.A NH2 LEU 615.A O no hydrogen 3.335 N/A ARG 609.A NH2 ALA 616.A O no hydrogen 3.000 N/A GLY 610.A N ASP 614.A OD2 no hydrogen 2.780 N/A HIS 611.A N GLY 608.A O no hydrogen 2.925 N/A GLY 612.A N TYR 648.A OH no hydrogen 2.981 N/A HIS 613.A N GLY 608.A O no hydrogen 3.256 N/A ALA 616.A N TYR 621.A OH no hydrogen 2.909 N/A PHE 618.A N GLU 602.A OE2 no hydrogen 2.829 N/A ALA 620.A N PRO 617.A O no hydrogen 2.931 N/A TYR 621.A N PHE 618.A O no hydrogen 3.045 N/A HIS 622.A N ASP 619.A O no hydrogen 2.987 N/A HIS 622.A NE2 GLU 503.A OE2 no hydrogen 2.787 N/A GLU 623.A N ASP 619.A O no hydrogen 3.349 N/A GLU 623.A N ALA 620.A O no hydrogen 3.252 N/A ALA 624.A N ALA 620.A O no hydrogen 3.053 N/A ARG 625.A NE ASP 40.A OD2 no hydrogen 2.755 N/A LEU 627.A N THR 513.A O no hydrogen 3.307 N/A ARG 628.A N GLU 636.A OE1 no hydrogen 2.865 N/A ARG 628.A NE GLU 636.A OE1 no hydrogen 3.039 N/A ARG 628.A NH1 ASP 171.A OD1 no hydrogen 2.946 N/A ARG 628.A NH1 GLU 510.A OE1 no hydrogen 2.877 N/A ARG 628.A NH2 GLU 636.A OE2 no hydrogen 3.039 N/A TRP 629.A N ARG 511.A O no hydrogen 3.070 N/A TRP 629.A NE1 GLU 390.A OE2 no hydrogen 2.889 N/A VAL 631.A N ASP 614.A O no hydrogen 2.736 N/A VAL 632.A N LYS 635.A O no hydrogen 3.026 N/A LYS 635.A N VAL 632.A O no hydrogen 3.028 N/A THR 637.A N ARG 628.A O no hydrogen 3.092 N/A THR 637.A OG1 PRO 630.A O no hydrogen 2.666 N/A ARG 638.A NH1 ASP 171.A OD2 no hydrogen 2.756 N/A TRP 639.A N SER 645.A OG.A no hydrogen 3.209 N/A TRP 639.A NE1 ASP 172.A OD1 no hydrogen 2.935 N/A ARG 640.A N MET 167.A O no hydrogen 2.953 N/A ARG 640.A NH1 ASP 164.A O no hydrogen 3.010 N/A ARG 640.A NH1 PRO 166.A O no hydrogen 3.049 N/A ARG 640.A NH2 ASP 164.A O no hydrogen 3.273 N/A TYR 641.A N ASP 646.A OD2 no hydrogen 2.758 N/A ARG 642.A NH1 GLY 654.A O no hydrogen 2.994 N/A GLU 643.A N GLY 654.A O no hydrogen 2.838 N/A SER 645.A N ARG 642.A O no hydrogen 3.117 N/A SER 645.A OG.A TRP 639.A O no hydrogen 2.750 N/A ASP 646.A N ARG 642.A O no hydrogen 3.071 N/A TYR 648.A N ASP 646.A OD1 no hydrogen 2.858 N/A TYR 648.A OH ASP 614.A OD1 no hydrogen 2.596 N/A TYR 648.A OH ASP 614.A OD2 no hydrogen 3.375 N/A VAL 649.A N ASP 646.A O no hydrogen 3.143 N/A GLY 652.A N GLU 643.A OE2 no hydrogen 2.833 N/A THR 653.A OG1 LYS 650.A O no hydrogen 2.653 N/A GLY 654.A N GLU 643.A OE1 no hydrogen 2.844 N/A GLN 656.A N TYR 641.A O no hydrogen 2.912 N/A PHE 657.A N GLY 663.A O no hydrogen 2.874 N/A TYR 658.A OH ASP 646.A OD1 no hydrogen 3.371 N/A TYR 658.A OH ASP 646.A OD2 no hydrogen 2.546 N/A ASN 660.A N PHE 657.A O no hydrogen 3.057 N/A ASN 660.A ND2 THR 160.A O no hydrogen 3.230 N/A ASN 660.A ND2 LYS 664.A O no hydrogen 2.752 N/A GLY 663.A N ASN 660.A O no hydrogen 2.808 N/A LYS 664.A N ASP 662.A OD1 no hydrogen 3.045 N/A ALA 665.A N HIS 259.A O no hydrogen 2.926 N/A VAL 666.A N THR 160.A O no hydrogen 2.907 N/A ILE 667.A N VAL 261.A O no hydrogen 2.789 N/A ALA 669.A N LYS 263.A O no hydrogen 2.730 N/A TYR 672.A N TYR 307.A OH no hydrogen 2.951 N/A ASP 680.A N TYR 683.A O no hydrogen 3.006 N/A TYR 683.A N ASP 680.A OD1 no hydrogen 2.858 N/A TYR 685.A N VAL 794.A O no hydrogen 3.009 N/A TRP 686.A N GLY 759.A O no hydrogen 2.919 N/A LEU 687.A N CYS 792.A O no hydrogen 2.936 N/A VAL 688.A N VAL 761.A O no hydrogen 2.853 N/A THR 689.A OG1 PHE 789.A O no hydrogen 2.756 N/A GLY 690.A N VAL 763.A O no hydrogen 3.404 N/A ARG 691.A NH2 HIS 697.A NE2 no hydrogen 2.983 N/A LEU 693.A N GLU 188.A OE2 no hydrogen 2.821 N/A GLU 694.A N GLU 694.A OE1 no hydrogen 2.718 N/A HIS 695.A N VAL 692.A O no hydrogen 3.427 N/A HIS 695.A ND1 THR 702.A OG1 no hydrogen 2.784 N/A HIS 695.A NE2 PHE 712.A O no hydrogen 2.847 N/A TRP 696.A N THR 702.A OG1 no hydrogen 3.080 N/A GLY 699.A N TRP 696.A O no hydrogen 2.773 N/A THR 702.A OG1 HIS 695.A ND1 no hydrogen 2.784 N/A ARG 703.A N GLY 699.A O no hydrogen 2.827 N/A ARG 703.A NE PRO 713.A O no hydrogen 2.815 N/A ARG 703.A NH2 PRO 713.A O no hydrogen 2.964 N/A ARG 704.A N MET 701.A O no hydrogen 3.106 N/A ARG 704.A NE ASP 65.A OD1 no hydrogen 2.811 N/A ARG 704.A NE ASP 65.A OD2 no hydrogen 3.328 N/A ARG 704.A NH1 SER 700.A O no hydrogen 2.765 N/A ARG 704.A NH2 ASP 65.A OD2 no hydrogen 2.913 N/A ARG 704.A NH2 PRO 483.A O no hydrogen 3.268 N/A VAL 705.A N THR 702.A O no hydrogen 3.008 N/A GLU 707.A N GLU 707.A OE1 no hydrogen 2.823 N/A TYR 709.A N VAL 705.A O no hydrogen 2.919 N/A ARG 710.A N PRO 706.A O no hydrogen 2.914 N/A SER 711.A N GLU 707.A O no hydrogen 2.954 N/A SER 711.A N LEU 708.A O no hydrogen 3.140 N/A SER 711.A OG LEU 708.A O no hydrogen 2.735 N/A PHE 712.A N TYR 709.A O no hydrogen 3.090 N/A ALA 715.A N ASP 767.A OD2 no hydrogen 3.021 N/A VAL 717.A N ARG 747.A O no hydrogen 2.868 N/A PHE 718.A N PHE 762.A O no hydrogen 2.892 N/A MET 719.A N GLU 749.A O no hydrogen 3.076 N/A GLU 722.A N HIS 720.A ND1 no hydrogen 2.976 N/A ASP 723.A N HIS 720.A O no hydrogen 2.993 N/A ALA 724.A N HIS 720.A O no hydrogen 3.084 N/A LYS 725.A N PRO 721.A O no hydrogen 3.017 N/A ALA 726.A N GLU 722.A O no hydrogen 3.017 N/A LEU 727.A N ASP 723.A O no hydrogen 3.116 N/A LEU 727.A N ALA 724.A O no hydrogen 3.029 N/A GLY 728.A N LYS 725.A O no hydrogen 3.015 N/A LEU 729.A N ALA 724.A O no hydrogen 2.887 N/A ARG 731.A NE GLU 749.A OE1 no hydrogen 2.808 N/A ARG 731.A NH2 GLU 749.A OE2 no hydrogen 2.861 N/A GLY 732.A N ILE 748.A O no hydrogen 2.850 N/A VAL 733.A N ARG 730.A O no hydrogen 3.104 N/A VAL 735.A N SER 746.A O no hydrogen 2.886 N/A GLU 736.A N VAL 797.A O no hydrogen 2.739 N/A VAL 737.A N MET 744.A O no hydrogen 2.826 N/A VAL 738.A N LYS 795.A O no hydrogen 2.930 N/A SER 739.A N GLY 742.A O no hydrogen 2.976 N/A SER 739.A OG VAL 775.A O no hydrogen 2.742 N/A ARG 740.A NH1 GLU 677.A OE2 no hydrogen 3.334 N/A ARG 740.A NH2 ASP 680.A OD2 no hydrogen 2.757 N/A ARG 741.A N SER 739.A OG no hydrogen 3.076 N/A ARG 741.A NE VAL 775.A O no hydrogen 3.109 N/A ARG 741.A NE THR 776.A O no hydrogen 3.046 N/A ARG 741.A NH1 GLU 677.A OE1 no hydrogen 3.548 N/A ARG 741.A NH1 GLU 677.A OE2 no hydrogen 2.853 N/A ARG 741.A NH2 GLU 677.A OE1 no hydrogen 2.881 N/A ARG 741.A NH2 VAL 775.A O no hydrogen 3.044 N/A MET 744.A N VAL 737.A O no hydrogen 3.011 N/A ARG 745.A NE GLU 734.A OE2 no hydrogen 2.863 N/A ARG 745.A NH2 GLU 734.A OE1 no hydrogen 2.855 N/A ARG 745.A NH2 GLU 734.A OE2 no hydrogen 3.436 N/A SER 746.A N VAL 735.A O no hydrogen 3.114 N/A SER 746.A OG ALA 715.A O no hydrogen 3.373 N/A SER 746.A OG GLN 770.A OE1 no hydrogen 2.765 N/A ARG 747.A NH1 GLY 732.A O no hydrogen 2.976 N/A ILE 748.A N VAL 733.A O no hydrogen 3.023 N/A GLU 749.A N VAL 717.A O no hydrogen 2.812 N/A ARG 751.A N GLU 749.A OE1 no hydrogen 2.828 N/A ARG 753.A NH1 GLU 188.A OE2 no hydrogen 2.756 N/A ARG 753.A NH1 GLU 694.A OE1 no hydrogen 2.725 N/A ARG 753.A NH1 GLU 694.A OE2 no hydrogen 3.494 N/A ARG 753.A NH2 GLU 694.A OE1 no hydrogen 3.391 N/A ARG 753.A NH2 GLU 694.A OE2 no hydrogen 2.882 N/A ALA 755.A N THR 216.A O no hydrogen 2.819 N/A ARG 758.A NE ASP 723.A OD1 no hydrogen 2.808 N/A ARG 758.A NH2 ASP 723.A OD1 no hydrogen 3.469 N/A GLY 759.A N ASP 723.A OD2 no hydrogen 2.741 N/A LEU 760.A N PRO 757.A O no hydrogen 3.216 N/A VAL 761.A N TRP 686.A O no hydrogen 2.880 N/A PHE 762.A N PHE 718.A O no hydrogen 3.169 N/A VAL 763.A N VAL 688.A O no hydrogen 2.836 N/A TRP 765.A N GLY 690.A O no hydrogen 2.947 N/A SER 769.A N ASP 767.A OD1 no hydrogen 2.914 N/A SER 769.A OG ASP 767.A OD1 no hydrogen 2.576 N/A SER 769.A OG ASP 767.A OD2 no hydrogen 3.427 N/A GLN 770.A N ASP 767.A O no hydrogen 2.911 N/A ASN 773.A ND2 GLN 456.A O no hydrogen 2.796 N/A LYS 774.A N LEU 771.A O no hydrogen 2.938 N/A VAL 775.A N ILE 772.A O no hydrogen 2.851 N/A THR 776.A OG1 ASN 773.A O no hydrogen 3.371 N/A THR 776.A OG1 ASN 773.A OD1 no hydrogen 2.703 N/A ASP 778.A N ASP 778.A OD1 no hydrogen 2.739 N/A THR 780.A N TYR 271.A O no hydrogen 2.918 N/A THR 780.A OG1 CYS 781.A O no hydrogen 2.903 N/A CYS 781.A N GLN 786.A O no hydrogen 2.981 N/A CYS 781.A SG THR 352.A OG1 no hydrogen 3.219 N/A SER 784.A OG SER 152.A OG no hydrogen 2.872 N/A LEU 785.A N CYS 781.A O no hydrogen 2.792 N/A GLN 786.A N SER 784.A OG no hydrogen 3.166 N/A GLN 786.A NE2 HIS 148.A O no hydrogen 3.011 N/A GLN 786.A NE2 CYS 149.A O no hydrogen 2.764 N/A ASP 788.A N ALA 779.A O no hydrogen 2.976 N/A LYS 790.A N ASP 788.A OD1 no hydrogen 2.919 N/A LYS 790.A NZ GLN 347.A OE1 no hydrogen 2.983 N/A LYS 790.A NZ THR 689.A O no hydrogen 2.826 N/A LYS 791.A NZ GLN 232.A OE1 no hydrogen 2.854 N/A LYS 791.A NZ ASP 788.A OD2 no hydrogen 2.811 N/A CYS 792.A N LEU 687.A O no hydrogen 3.345 N/A CYS 792.A SG VAL 775.A O no hydrogen 3.985 N/A ALA 793.A N GLU 677.A OE1 no hydrogen 2.883 N/A VAL 794.A N TYR 685.A O no hydrogen 2.903 N/A LYS 795.A N VAL 738.A O no hydrogen 2.873 N/A VAL 797.A N GLU 736.A O no hydrogen 2.953 N/A VAL 799.A N GLU 734.A O no hydrogen 3.069 N/A