Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1t9b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N ILE 178.A O no hydrogen 2.705 N/A SER 4.A N ASP 2.A OD1 no hydrogen 3.423 N/A SER 4.A OG ASP 2.A OD1 no hydrogen 3.152 N/A SER 4.A OG ASP 2.A OD2 no hydrogen 2.685 N/A VAL 6.A N THR 3.A O no hydrogen 3.266 N/A GLY 7.A N LEU 174.A O no hydrogen 2.621 N/A LEU 8.A N PHE 5.A O no hydrogen 2.940 N/A THR 9.A N GLN 12.A OE1 no hydrogen 2.868 N/A THR 9.A OG1 GLN 12.A OE1 no hydrogen 3.391 N/A GLY 10.A N ALA 172.A O no hydrogen 2.854 N/A GLY 11.A N THR 170.A O no hydrogen 2.831 N/A GLN 12.A N THR 9.A OG1 no hydrogen 3.086 N/A ILE 13.A N THR 9.A O no hydrogen 2.934 N/A PHE 14.A N GLY 10.A O no hydrogen 2.930 N/A ASN 15.A N GLY 11.A O no hydrogen 2.999 N/A ASN 15.A ND2 SER 44.A OG no hydrogen 2.882 N/A GLU 16.A N GLN 12.A O no hydrogen 3.006 N/A MET 17.A N ILE 13.A O no hydrogen 2.784 N/A MET 18.A N PHE 14.A O no hydrogen 3.052 N/A ARG 20.A N GLU 16.A O no hydrogen 3.051 N/A ARG 20.A NH2 SER 4.A OG no hydrogen 3.299 N/A GLN 21.A N MET 17.A O no hydrogen 2.906 N/A GLN 21.A NE2 ASN 147.A OD1 no hydrogen 2.861 N/A ASN 22.A N SER 19.A O no hydrogen 2.936 N/A VAL 23.A N MET 18.A O no hydrogen 2.886 N/A THR 25.A OG1 ASP 24.A OD1 no hydrogen 2.789 N/A VAL 26.A N ASN 48.A O no hydrogen 2.880 N/A PHE 27.A N VAL 74.A O no hydrogen 2.933 N/A GLY 28.A N VAL 50.A O no hydrogen 3.179 N/A TYR 29.A N LEU 76.A O no hydrogen 3.089 N/A ILE 34.A N GLY 31.A O no hydrogen 3.186 N/A LEU 35.A N GLY 32.A O no hydrogen 3.135 N/A VAL 37.A N ILE 34.A O no hydrogen 3.084 N/A TYR 38.A N ILE 34.A O no hydrogen 3.230 N/A TYR 38.A OH LEU 76.A O no hydrogen 2.725 N/A ASP 39.A N LEU 35.A O no hydrogen 2.927 N/A ALA 40.A N PRO 36.A O no hydrogen 3.353 N/A ILE 41.A N VAL 37.A O no hydrogen 3.016 N/A HIS 42.A N ASP 39.A O no hydrogen 3.340 N/A SER 44.A N ILE 41.A O no hydrogen 2.943 N/A LYS 46.A N SER 44.A OG no hydrogen 3.369 N/A LYS 46.A NZ GLU 16.A OE1.A no hydrogen 3.035 N/A LYS 46.A NZ GLU 16.A OE1.B no hydrogen 2.938 N/A ASN 48.A N ASP 24.A O no hydrogen 2.961 N/A VAL 50.A N VAL 26.A O no hydrogen 2.880 N/A LYS 53.A N GLU 455.A OE1 no hydrogen 3.042 N/A LYS 53.A N GLU 455.A OE2 no hydrogen 3.409 N/A LYS 53.A NZ SER 457.A OG no hydrogen 2.631 N/A HIS 54.A N GLU 455.A OE2 no hydrogen 3.164 N/A GLU 55.A N GLU 55.A OE1 no hydrogen 2.787 N/A GLN 56.A N HIS 54.A ND1 no hydrogen 2.900 N/A GLN 56.A NE2 HIS 60.A NE2 no hydrogen 3.087 N/A ALA 58.A N HIS 54.A O no hydrogen 3.258 N/A GLY 59.A N GLU 55.A O no hydrogen 2.960 N/A HIS 60.A N GLN 56.A O no hydrogen 2.960 N/A HIS 60.A ND1 GLU 63.A OE2 no hydrogen 2.786 N/A MET 61.A N GLY 57.A O no hydrogen 2.858 N/A ALA 62.A N ALA 58.A O no hydrogen 2.950 N/A GLU 63.A N GLY 59.A O no hydrogen 3.092 N/A GLY 64.A N HIS 60.A O no hydrogen 2.927 N/A TYR 65.A N MET 61.A O no hydrogen 2.847 N/A TYR 65.A OH ASP 24.A OD1 no hydrogen 2.676 N/A ALA 66.A N ALA 62.A O no hydrogen 2.941 N/A ARG 67.A N GLU 63.A O no hydrogen 2.890 N/A ALA 68.A N GLY 64.A O no hydrogen 3.097 N/A SER 69.A N TYR 65.A O no hydrogen 2.976 N/A SER 69.A OG TYR 65.A O no hydrogen 2.840 N/A GLY 70.A N ALA 66.A O no hydrogen 2.832 N/A LYS 71.A N SER 69.A OG no hydrogen 2.987 N/A LYS 71.A NZ ASN 22.A O no hydrogen 2.726 N/A GLY 73.A N PRO 99.A O no hydrogen 2.974 N/A VAL 75.A N VAL 101.A O no hydrogen 2.900 N/A LEU 76.A N PHE 27.A O no hydrogen 2.896 N/A VAL 77.A N PHE 103.A O no hydrogen 2.886 N/A SER 79.A OG GLN 118.A O no hydrogen 2.887 N/A GLY 82.A N SER 79.A O no hydrogen 3.000 N/A THR 84.A N GLY 80.A O no hydrogen 2.909 N/A THR 84.A OG1 GLY 80.A O no hydrogen 3.341 N/A THR 84.A OG1 PRO 81.A O no hydrogen 3.367 N/A ASN 85.A N PRO 81.A O no hydrogen 2.967 N/A VAL 86.A N ALA 83.A O no hydrogen 3.086 N/A VAL 87.A N THR 84.A O no hydrogen 3.218 N/A MET 90.A N VAL 86.A O no hydrogen 3.119 N/A ALA 91.A N VAL 87.A O no hydrogen 2.870 N/A ASP 92.A N THR 88.A O no hydrogen 2.821 N/A ALA 93.A N PRO 89.A O no hydrogen 2.828 N/A PHE 94.A N MET 90.A O no hydrogen 2.754 N/A ALA 95.A N ALA 91.A O no hydrogen 3.013 N/A ASP 96.A N ASP 92.A O no hydrogen 3.157 N/A ILE 98.A N ALA 93.A O no hydrogen 2.913 N/A MET 100.A N GLY 159.A O no hydrogen 3.322 N/A VAL 101.A N GLY 73.A O no hydrogen 2.792 N/A VAL 102.A N VAL 161.A O no hydrogen 2.865 N/A PHE 103.A N VAL 75.A O no hydrogen 2.687 N/A THR 104.A N VAL 163.A O no hydrogen 3.119 N/A THR 104.A OG1 ASP 164.A OD1 no hydrogen 2.801 N/A GLY 105.A N VAL 77.A O no hydrogen 2.797 N/A GLN 106.A N LEU 165.A O no hydrogen 2.926 N/A GLN 106.A NE2 ALA 120.A O no hydrogen 3.162 N/A GLN 106.A NE2 ASP 164.A OD2 no hydrogen 2.859 N/A VAL 107.A N GLN 106.A OE1 no hydrogen 2.746 N/A THR 109.A N ASP 168.A OD1 no hydrogen 2.892 N/A THR 109.A OG1 ASP 168.A OD2 no hydrogen 2.617 N/A ALA 111.A N PRO 108.A O no hydrogen 2.756 N/A ILE 112.A N PRO 108.A O no hydrogen 3.174 N/A GLY 113.A N GLU 119.A OE2 no hydrogen 2.666 N/A THR 114.A N ALA 111.A O no hydrogen 3.206 N/A THR 114.A OG1 ALA 111.A O no hydrogen 2.500 N/A ALA 116.A N GLU 119.A OE1 no hydrogen 2.789 N/A GLU 119.A N ALA 116.A O no hydrogen 3.120 N/A GLY 124.A N ASP 121.A OD1 no hydrogen 3.112 N/A ILE 125.A N ASP 121.A O no hydrogen 2.930 N/A SER 126.A N VAL 122.A O no hydrogen 2.941 N/A SER 126.A OG VAL 122.A O no hydrogen 2.805 N/A ARG 127.A N GLY 124.A O no hydrogen 3.319 N/A CYS 129.A N SER 126.A O no hydrogen 3.132 N/A CYS 129.A SG SER 126.A O no hydrogen 3.664 N/A THR 130.A OG1 SER 126.A O no hydrogen 2.780 N/A LYS 131.A N PRO 160.A O no hydrogen 2.867 N/A LYS 131.A NZ ILE 152.A O no hydrogen 2.675 N/A LYS 131.A NZ ARG 157.A O no hydrogen 2.841 N/A ASN 133.A ND2 VAL 123.A O no hydrogen 2.952 N/A ASN 133.A ND2 SER 126.A OG no hydrogen 3.223 N/A VAL 134.A N LEU 162.A O no hydrogen 3.033 N/A VAL 136.A N ASP 164.A O no hydrogen 2.967 N/A LYS 137.A N GLU 141.A OE2 no hydrogen 2.874 N/A SER 138.A OG GLU 140.A OE1 no hydrogen 3.225 N/A GLU 141.A N SER 138.A O no hydrogen 3.142 N/A LEU 142.A N VAL 139.A O no hydrogen 3.167 N/A ARG 145.A N GLU 141.A O no hydrogen 2.958 N/A ARG 145.A NE GLU 141.A OE1 no hydrogen 2.649 N/A ARG 145.A NH1 GLU 148.A OE1 no hydrogen 2.784 N/A ARG 145.A NH2 GLU 141.A OE1 no hydrogen 3.169 N/A ILE 146.A N LEU 142.A O no hydrogen 2.941 N/A ASN 147.A N PRO 143.A O no hydrogen 2.914 N/A GLU 148.A N LEU 144.A O no hydrogen 2.848 N/A ALA 149.A N ARG 145.A O no hydrogen 2.955 N/A PHE 150.A N ILE 146.A O no hydrogen 3.154 N/A GLU 151.A N ASN 147.A O no hydrogen 3.095 N/A ILE 152.A N GLU 148.A O no hydrogen 2.799 N/A ALA 153.A N ALA 149.A O no hydrogen 2.896 N/A THR 154.A N PHE 150.A O no hydrogen 3.228 N/A THR 154.A N GLU 151.A O no hydrogen 3.274 N/A THR 154.A OG1 PHE 150.A O no hydrogen 2.809 N/A THR 154.A OG1 GLU 151.A O no hydrogen 3.307 N/A SER 155.A N ILE 152.A O no hydrogen 3.422 N/A SER 155.A OG.A GLU 151.A O no hydrogen 3.167 N/A SER 155.A OG.A ILE 152.A O no hydrogen 3.241 N/A SER 155.A OG.B GLU 151.A O no hydrogen 2.601 N/A ARG 157.A NH2 ALA 95.A O no hydrogen 2.930 N/A GLY 159.A N ALA 153.A O no hydrogen 3.095 N/A VAL 161.A N MET 100.A O no hydrogen 2.872 N/A LEU 162.A N TRP 132.A O no hydrogen 3.156 N/A VAL 163.A N VAL 102.A O no hydrogen 2.808 N/A ASP 164.A N VAL 134.A O no hydrogen 2.796 N/A LEU 165.A N THR 104.A O no hydrogen 2.799 N/A LYS 167.A N GLN 106.A O no hydrogen 2.759 N/A VAL 169.A N PRO 166.A O no hydrogen 2.943 N/A THR 170.A N PRO 166.A O no hydrogen 3.174 N/A THR 170.A OG1 LYS 167.A O no hydrogen 3.116 N/A ALA 171.A N LYS 167.A O no hydrogen 3.078 N/A LEU 174.A N LEU 8.A O no hydrogen 2.791 N/A ILE 178.A N ASP 2.A O no hydrogen 2.997 N/A GLN 183.A N PHE 180.A O no hydrogen 3.228 N/A SER 184.A OG ALA 318.A O no hydrogen 3.169 N/A ILE 185.A N VAL 181.A O no hydrogen 2.937 N/A ASN 186.A N MET 182.A O no hydrogen 2.867 N/A LYS 187.A N GLN 183.A O no hydrogen 3.044 N/A ALA 188.A N SER 184.A O no hydrogen 2.869 N/A ALA 189.A N ILE 185.A O no hydrogen 3.035 N/A ASP 190.A N ASN 186.A O no hydrogen 3.144 N/A LEU 191.A N LYS 187.A O no hydrogen 2.991 N/A ILE 192.A N ALA 188.A O no hydrogen 3.035 N/A ASN 193.A N ALA 189.A O no hydrogen 2.998 N/A ASN 193.A ND2 LYS 333.A O no hydrogen 3.170 N/A LEU 194.A N LEU 191.A O no hydrogen 3.156 N/A ALA 195.A N ILE 192.A O no hydrogen 2.973 N/A LYS 196.A N ASP 264.A OD1 no hydrogen 2.804 N/A LYS 197.A N ASP 264.A OD1 no hydrogen 3.217 N/A LYS 197.A N ASP 264.A OD2 no hydrogen 3.094 N/A VAL 199.A N LEU 265.A O no hydrogen 3.012 N/A LEU 200.A N PRO 226.A O no hydrogen 2.941 N/A TYR 201.A N ILE 267.A O no hydrogen 2.904 N/A VAL 202.A N THR 228.A O no hydrogen 2.936 N/A GLY 203.A N VAL 269.A O no hydrogen 2.828 N/A GLY 205.A N GLY 270.A O no hydrogen 2.919 N/A ILE 206.A N GLY 203.A O no hydrogen 3.226 N/A LEU 207.A N ALA 204.A O no hydrogen 2.901 N/A ASN 208.A N GLY 205.A O no hydrogen 3.162 N/A ASP 211.A N HIS 209.A ND1 no hydrogen 2.869 N/A GLY 212.A N HIS 209.A O no hydrogen 2.903 N/A LEU 215.A N ASP 211.A O no hydrogen 3.003 N/A LEU 216.A N GLY 212.A O no hydrogen 2.935 N/A LYS 217.A N PRO 213.A O no hydrogen 2.966 N/A LYS 217.A NZ ASP 221.A OD1 no hydrogen 2.785 N/A GLU 218.A N ARG 214.A O no hydrogen 2.994 N/A LEU 219.A N LEU 215.A O no hydrogen 2.945 N/A SER 220.A N LEU 216.A O no hydrogen 2.924 N/A SER 220.A OG ILE 225.A O no hydrogen 2.791 N/A ASP 221.A N LYS 217.A O no hydrogen 2.877 N/A ARG 222.A N GLU 218.A O no hydrogen 2.821 N/A ARG 222.A NE ILE 334.A O no hydrogen 2.600 N/A ARG 222.A NH2 ILE 334.A O no hydrogen 2.991 N/A ALA 223.A N LEU 219.A O no hydrogen 2.983 N/A GLN 224.A N ASP 221.A O no hydrogen 3.326 N/A GLN 224.A NE2 ASP 221.A O no hydrogen 2.819 N/A ILE 225.A N SER 220.A O no hydrogen 2.961 N/A VAL 227.A N LYS 243.A O no hydrogen 2.761 N/A THR 228.A N LEU 200.A O no hydrogen 2.874 N/A THR 228.A OG1 ASP 246.A O no hydrogen 2.859 N/A THR 229.A N ASP 246.A O no hydrogen 3.161 N/A THR 229.A OG1 THR 230.A O no hydrogen 3.289 N/A THR 230.A N VAL 202.A O no hydrogen 3.033 N/A GLN 232.A NE2 THR 414.A O no hydrogen 3.249 N/A GLY 233.A N THR 230.A O no hydrogen 3.024 N/A LEU 234.A N THR 230.A O no hydrogen 3.220 N/A SER 236.A N GLY 233.A O no hydrogen 2.968 N/A SER 236.A OG GLY 233.A O no hydrogen 2.733 N/A GLN 239.A N TRP 406.A O no hydrogen 3.019 N/A GLU 240.A N ASP 238.A OD1 no hydrogen 2.684 N/A ASP 241.A N ASP 238.A O no hydrogen 3.117 N/A LYS 243.A N ASP 241.A OD1 no hydrogen 2.600 N/A LYS 243.A NZ ASP 221.A OD2 no hydrogen 2.891 N/A LYS 243.A NZ ASP 241.A OD1 no hydrogen 3.120 N/A LYS 243.A NZ ASP 241.A OD2 no hydrogen 3.305 N/A SER 244.A N ASP 241.A O no hydrogen 2.930 N/A LEU 245.A N VAL 227.A O no hydrogen 2.755 N/A MET 247.A N ASP 246.A OD1 no hydrogen 2.550 N/A LEU 248.A N THR 229.A O no hydrogen 3.319 N/A GLY 249.A N ASN 257.A OD1 no hydrogen 2.829 N/A MET 250.A N ARG 276.A O no hydrogen 2.751 N/A HIS 251.A ND1 PRO 549.A O no hydrogen 3.012 N/A GLY 252.A N GLY 249.A O no hydrogen 3.074 N/A CYS 253.A N MET 247.A O no hydrogen 2.950 N/A CYS 253.A SG LEU 245.A O no hydrogen 3.076 N/A CYS 253.A SG MET 247.A O no hydrogen 3.701 N/A ASN 257.A N CYS 253.A O no hydrogen 3.242 N/A ASN 257.A ND2 GLY 249.A O no hydrogen 3.098 N/A LEU 258.A N ALA 254.A O no hydrogen 2.735 N/A ALA 259.A N THR 255.A O no hydrogen 2.908 N/A VAL 260.A N ALA 256.A O no hydrogen 3.205 N/A GLN 261.A N ASN 257.A O no hydrogen 3.067 N/A GLN 261.A NE2 LYS 283.A O no hydrogen 2.981 N/A GLN 261.A NE2 ASP 558.A OD1 no hydrogen 2.769 N/A ASN 262.A N LEU 258.A O no hydrogen 2.906 N/A ASN 262.A ND2 LEU 258.A O no hydrogen 2.915 N/A ASP 264.A N LYS 197.A O no hydrogen 3.155 N/A ILE 266.A N GLY 298.A O no hydrogen 2.847 N/A ILE 267.A N VAL 199.A O no hydrogen 2.816 N/A ALA 268.A N ILE 300.A O no hydrogen 2.805 N/A VAL 269.A N TYR 201.A O no hydrogen 2.819 N/A GLY 270.A N PHE 302.A O no hydrogen 3.182 N/A ARG 276.A N ASP 274.A OD2 no hydrogen 2.892 N/A ARG 276.A NE ASP 275.A OD2 no hydrogen 2.614 N/A ARG 276.A NH2 ASP 275.A OD2 no hydrogen 2.972 N/A VAL 277.A N ASP 274.A O no hydrogen 3.113 N/A THR 278.A N ASP 274.A O no hydrogen 3.211 N/A THR 278.A OG1 ASP 274.A O no hydrogen 3.462 N/A THR 278.A OG1 GLY 279.A O no hydrogen 3.160 N/A ASN 280.A N SER 555.A O no hydrogen 3.174 N/A ASN 280.A ND2 GLY 554.A O no hydrogen 2.629 N/A SER 282.A N ASN 280.A OD1 no hydrogen 3.136 N/A SER 282.A OG ASN 280.A OD1 no hydrogen 2.633 N/A LYS 283.A N ASN 280.A O no hydrogen 2.789 N/A LYS 283.A NZ GLY 554.A O no hydrogen 2.934 N/A LYS 283.A NZ GLU 559.A OE1 no hydrogen 3.475 N/A LYS 283.A NZ GLU 559.A OE2 no hydrogen 2.754 N/A PHE 284.A N ILE 281.A O no hydrogen 3.133 N/A ALA 285.A N GLN 261.A OE1 no hydrogen 2.766 N/A GLU 287.A N GLN 261.A O no hydrogen 3.451 N/A ARG 289.A N ALA 285.A O no hydrogen 3.223 N/A ARG 290.A N PRO 286.A O no hydrogen 3.133 N/A ARG 290.A NE GLU 287.A OE1 no hydrogen 3.061 N/A ARG 290.A NH2 GLU 287.A OE2 no hydrogen 3.304 N/A ALA 291.A N GLU 287.A O no hydrogen 2.863 N/A ALA 292.A N ALA 288.A O no hydrogen 2.928 N/A ALA 293.A N ARG 289.A O no hydrogen 3.024 N/A GLU 294.A N ARG 290.A O no hydrogen 3.142 N/A GLY 295.A N ALA 292.A O no hydrogen 3.044 N/A ARG 296.A N ALA 291.A O no hydrogen 2.797 N/A ARG 296.A NE GLU 294.A OE1 no hydrogen 2.750 N/A ARG 296.A NH2 GLU 294.A OE1 no hydrogen 3.531 N/A GLY 298.A N ASP 264.A O no hydrogen 2.756 N/A ILE 299.A N GLN 316.A OE1 no hydrogen 2.710 N/A ILE 300.A N ILE 266.A O no hydrogen 2.904 N/A HIS 301.A N ILE 317.A O no hydrogen 2.888 N/A HIS 301.A NE2 ALA 271.A O no hydrogen 2.835 N/A PHE 302.A N ALA 268.A O no hydrogen 2.878 N/A GLU 303.A N VAL 319.A O no hydrogen 3.181 N/A SER 305.A N GLU 303.A OE2 no hydrogen 2.692 N/A ASN 308.A N SER 305.A O no hydrogen 2.872 N/A ILE 309.A N PRO 306.A O no hydrogen 3.042 N/A ASN 310.A ND2 THR 315.A OG1 no hydrogen 2.825 N/A LYS 311.A NZ ASN 308.A OD1 no hydrogen 2.793 N/A GLN 316.A N ILE 299.A O no hydrogen 2.943 N/A ILE 317.A N ILE 299.A O no hydrogen 3.264 N/A VAL 319.A N HIS 301.A O no hydrogen 2.963 N/A GLY 321.A N GLU 303.A O no hydrogen 3.107 N/A THR 325.A N ASP 322.A OD1 no hydrogen 2.961 N/A THR 325.A OG1 ASP 322.A OD1 no hydrogen 2.700 N/A ASN 326.A N ASP 322.A O no hydrogen 3.097 N/A ASN 326.A ND2 GLU 320.A O no hydrogen 3.045 N/A LEU 327.A N ALA 323.A O no hydrogen 2.811 N/A GLY 328.A N THR 324.A O no hydrogen 3.087 N/A LYS 329.A N THR 325.A O no hydrogen 3.315 N/A MET 330.A N ASN 326.A O no hydrogen 3.143 N/A MET 331.A N LEU 327.A O no hydrogen 2.987 N/A LYS 333.A N MET 330.A O no hydrogen 2.877 N/A LYS 333.A NZ ASN 186.A OD1 no hydrogen 2.762 N/A ILE 334.A N MET 331.A O no hydrogen 2.842 N/A PHE 335.A N ASN 193.A OD1 no hydrogen 2.822 N/A VAL 337.A N ARG 222.A O no hydrogen 2.836 N/A ARG 340.A NE ALA 223.A O no hydrogen 3.069 N/A ARG 340.A NE GLN 224.A O no hydrogen 2.800 N/A ARG 340.A NH1 ALA 195.A O no hydrogen 3.227 N/A ARG 340.A NH2 ALA 223.A O no hydrogen 2.820 N/A SER 341.A OG GLU 339.A OE2 no hydrogen 3.537 N/A TRP 343.A NE1 PRO 198.A O no hydrogen 2.796 N/A PHE 344.A N ARG 340.A O no hydrogen 2.875 N/A ALA 345.A N SER 341.A O no hydrogen 2.826 N/A GLN 346.A N GLU 342.A O no hydrogen 2.959 N/A GLN 346.A NE2 GLN 346.A O no hydrogen 3.094 N/A ILE 347.A N TRP 343.A O no hydrogen 3.042 N/A ASN 348.A N PHE 344.A O no hydrogen 2.923 N/A LYS 349.A N ALA 345.A O no hydrogen 2.992 N/A TRP 350.A N GLN 346.A O no hydrogen 3.166 N/A LYS 351.A N ILE 347.A O no hydrogen 3.069 N/A LYS 351.A NZ SER 244.A O no hydrogen 2.846 N/A LYS 352.A N ASN 348.A O no hydrogen 3.137 N/A GLU 353.A N LYS 349.A O no hydrogen 3.189 N/A GLU 353.A N TRP 350.A O no hydrogen 3.210 N/A TYR 354.A N TRP 350.A O no hydrogen 2.627 N/A TYR 356.A OH ASP 246.A OD1 no hydrogen 2.729 N/A ALA 357.A N PRO 355.A O no hydrogen 2.538 N/A TYR 358.A OH THR 371.A OG1 no hydrogen 2.767 N/A GLU 361.A N GLU 361.A OE1 no hydrogen 2.636 N/A THR 362.A N SER 365.A OG no hydrogen 3.049 N/A SER 365.A N THR 362.A O no hydrogen 2.841 N/A SER 365.A OG THR 362.A O no hydrogen 2.962 N/A SER 365.A OG LYS 366.A O no hydrogen 3.187 N/A LYS 368.A N GLU 361.A OE2 no hydrogen 3.163 N/A LYS 368.A NZ ASP 542.A OD2 no hydrogen 2.616 N/A THR 371.A OG1 TYR 358.A OH no hydrogen 2.767 N/A THR 371.A OG1 GLU 361.A OE1 no hydrogen 2.648 N/A THR 371.A OG1 GLU 361.A OE2 no hydrogen 3.147 N/A VAL 372.A N LYS 368.A O no hydrogen 3.251 N/A ILE 373.A N PRO 369.A O no hydrogen 3.260 N/A LYS 374.A N GLN 370.A O no hydrogen 3.173 N/A LYS 375.A N THR 371.A O no hydrogen 3.008 N/A LYS 375.A NZ ASP 522.A OD1 no hydrogen 2.957 N/A LEU 376.A N VAL 372.A O no hydrogen 2.913 N/A SER 377.A N ILE 373.A O no hydrogen 2.856 N/A LYS 378.A N LYS 374.A O no hydrogen 3.351 N/A LYS 378.A NZ ASP 382.A OD2 no hydrogen 2.799 N/A VAL 379.A N LYS 375.A O no hydrogen 2.951 N/A ALA 380.A N LEU 376.A O no hydrogen 2.792 N/A ASN 381.A N SER 377.A O no hydrogen 3.139 N/A ASP 382.A N LYS 378.A O no hydrogen 2.871 N/A THR 383.A N ALA 380.A O no hydrogen 3.117 N/A THR 383.A OG1 ALA 380.A O no hydrogen 2.619 N/A GLY 384.A N ASN 381.A O no hydrogen 2.988 N/A ARG 385.A N THR 383.A OG1 no hydrogen 3.175 N/A ARG 385.A NH2 GLU 437.A O no hydrogen 2.794 N/A HIS 386.A ND1 SER 438.A OG no hydrogen 2.831 N/A ILE 388.A N LEU 439.A O no hydrogen 2.809 N/A VAL 389.A N THR 411.A O no hydrogen 2.761 N/A THR 390.A N ILE 441.A O no hydrogen 2.842 N/A THR 390.A OG1 GLY 424.A O no hydrogen 3.053 N/A THR 391.A OG1 GLY 392.A O no hydrogen 2.826 N/A THR 391.A OG1 THR 414.A OG1 no hydrogen 2.727 N/A GLY 392.A N ILE 443.A O no hydrogen 3.295 N/A VAL 393.A N SER 448.A OG no hydrogen 3.102 N/A GLY 394.A N GLN 397.A OE1 no hydrogen 3.234 N/A GLN 395.A NE2 GLN 481.A OE1 no hydrogen 2.873 N/A GLN 395.A NE2 VAL 545.A O no hydrogen 2.732 N/A GLN 397.A N GLY 394.A O no hydrogen 3.098 N/A GLN 397.A NE2 THR 414.A OG1 no hydrogen 2.630 N/A GLN 397.A NE2 SER 415.A O no hydrogen 3.093 N/A MET 398.A N GLY 394.A O no hydrogen 3.219 N/A TRP 399.A N GLN 395.A O no hydrogen 2.773 N/A ALA 400.A N HIS 396.A O no hydrogen 2.983 N/A ALA 401.A N GLN 397.A O no hydrogen 3.136 N/A GLN 402.A N MET 398.A O no hydrogen 2.904 N/A GLN 402.A NE2 HIS 251.A O no hydrogen 2.715 N/A GLN 402.A NE2 LEU 548.A O no hydrogen 3.353 N/A HIS 403.A N TRP 399.A O no hydrogen 2.968 N/A TRP 404.A N ALA 400.A O no hydrogen 3.243 N/A TRP 406.A N GLN 239.A OE1 no hydrogen 2.993 N/A TRP 406.A NE1 ALA 401.A O no hydrogen 2.980 N/A ARG 407.A NE ASP 238.A OD1 no hydrogen 3.008 N/A ARG 407.A NE ASP 238.A OD2 no hydrogen 3.174 N/A ARG 407.A NH2 ASP 238.A OD2 no hydrogen 2.785 N/A THR 411.A OG1 ASN 408.A O no hydrogen 2.452 N/A ILE 413.A N VAL 389.A O no hydrogen 2.725 N/A THR 414.A OG1 THR 391.A OG1 no hydrogen 2.727 N/A SER 415.A OG ASP 92.A OD2 no hydrogen 2.572 N/A GLY 416.A N ASP 96.A OD2 no hydrogen 2.991 N/A GLY 417.A N ASP 96.A OD1 no hydrogen 2.749 N/A THR 420.A N SER 415.A OG no hydrogen 2.860 N/A THR 420.A OG1 ASP 92.A OD2 no hydrogen 2.911 N/A TYR 423.A N THR 420.A O no hydrogen 3.218 N/A ALA 427.A N TYR 423.A O no hydrogen 2.961 N/A ALA 428.A N GLY 424.A O no hydrogen 2.956 N/A ILE 429.A N LEU 425.A O no hydrogen 2.988 N/A GLY 430.A N PRO 426.A O no hydrogen 3.008 N/A ALA 431.A N ALA 427.A O no hydrogen 2.812 N/A GLN 432.A N ALA 428.A O no hydrogen 2.748 N/A GLN 432.A NE2 GLN 432.A O no hydrogen 3.520 N/A GLN 432.A NE2 LYS 435.A O no hydrogen 2.976 N/A GLN 432.A NE2 SER 438.A O no hydrogen 2.974 N/A VAL 433.A N ILE 429.A O no hydrogen 3.043 N/A ALA 434.A N GLY 430.A O no hydrogen 3.102 N/A LYS 435.A N ALA 431.A O no hydrogen 2.830 N/A SER 438.A N LYS 435.A O no hydrogen 3.065 N/A SER 438.A OG HIS 386.A ND1 no hydrogen 2.831 N/A LEU 439.A N HIS 386.A O no hydrogen 2.749 N/A ILE 441.A N ILE 388.A O no hydrogen 2.817 N/A ASP 442.A N LYS 467.A O no hydrogen 2.813 N/A ILE 443.A N THR 390.A O no hydrogen 2.882 N/A ASP 444.A N LEU 469.A O no hydrogen 2.721 N/A GLY 445.A N ASP 444.A OD1 no hydrogen 3.034 N/A ASP 446.A N ASP 446.A OD1 no hydrogen 2.573 N/A SER 448.A OG VAL 393.A O no hydrogen 3.084 N/A PHE 449.A N GLY 445.A O no hydrogen 2.910 N/A ASN 450.A N ASP 446.A O no hydrogen 3.087 N/A MET 451.A N SER 448.A O no hydrogen 3.118 N/A THR 452.A N PHE 449.A O no hydrogen 3.273 N/A THR 452.A OG1 GLY 422.A O no hydrogen 2.623 N/A GLU 455.A N THR 452.A O no hydrogen 3.084 N/A LEU 456.A N LEU 453.A O no hydrogen 3.156 N/A SER 457.A OG THR 454.A O no hydrogen 3.195 N/A SER 458.A OG GLU 455.A OE1 no hydrogen 2.649 N/A ALA 459.A N GLU 455.A O no hydrogen 3.093 N/A ALA 459.A N LEU 456.A O no hydrogen 3.115 N/A GLN 461.A N SER 457.A O no hydrogen 3.101 N/A ALA 462.A N SER 458.A O no hydrogen 2.836 N/A GLY 463.A N VAL 460.A O no hydrogen 3.214 N/A THR 464.A N ALA 459.A O no hydrogen 3.007 N/A THR 464.A OG1 ALA 459.A O no hydrogen 3.222 N/A VAL 466.A N THR 464.A O no hydrogen 2.839 N/A LYS 467.A N VAL 440.A O no hydrogen 2.872 N/A LYS 467.A NZ PRO 465.A O no hydrogen 3.121 N/A LYS 467.A NZ THR 531.A O no hydrogen 2.771 N/A LYS 467.A NZ GLY 533.A O no hydrogen 3.055 N/A ILE 468.A N VAL 535.A O no hydrogen 2.805 N/A LEU 469.A N ASP 442.A O no hydrogen 2.799 N/A ILE 470.A N LEU 537.A O no hydrogen 2.887 N/A LEU 471.A N ASP 444.A O no hydrogen 2.942 N/A ASN 472.A N VAL 539.A O no hydrogen 3.021 N/A ASN 472.A ND2 GLU 538.A OE2 no hydrogen 3.046 N/A GLU 474.A N ASN 472.A OD1 no hydrogen 2.775 N/A GLU 475.A N ASP 446.A OD2 no hydrogen 3.031 N/A GLN 476.A N THR 494.A O no hydrogen 2.938 N/A VAL 479.A N GLN 476.A O no hydrogen 3.031 N/A THR 480.A N GLN 476.A O no hydrogen 2.983 N/A THR 480.A OG1 GLU 475.A OE1 no hydrogen 2.641 N/A THR 480.A OG1 GLN 476.A O no hydrogen 3.536 N/A THR 480.A OG1 GLY 477.A O no hydrogen 2.885 N/A GLN 481.A N GLY 477.A O no hydrogen 2.914 N/A GLN 481.A NE2 VAL 547.A O no hydrogen 3.277 N/A TRP 482.A N MET 478.A O no hydrogen 3.468 N/A GLN 483.A N VAL 479.A O no hydrogen 2.914 N/A GLN 483.A NE2 THR 494.A OG1 no hydrogen 3.001 N/A SER 484.A N THR 480.A O no hydrogen 2.726 N/A SER 484.A OG THR 480.A O no hydrogen 2.959 N/A SER 484.A OG TYR 491.A OH no hydrogen 2.520 N/A LEU 485.A N GLN 481.A O no hydrogen 2.983 N/A PHE 486.A N TRP 482.A O no hydrogen 2.733 N/A TYR 487.A N GLN 483.A O no hydrogen 2.952 N/A HIS 489.A N GLN 483.A O no hydrogen 3.065 N/A HIS 489.A NE2 GLN 571.A OE1 no hydrogen 3.022 N/A ARG 490.A N TYR 487.A O no hydrogen 3.001 N/A TYR 491.A OH SER 484.A OG no hydrogen 2.520 N/A SER 492.A N GLN 483.A OE1 no hydrogen 3.207 N/A GLN 496.A N GLN 496.A OE1 no hydrogen 2.573 N/A GLN 496.A NE2 ASP 446.A OD2 no hydrogen 3.375 N/A LYS 503.A N ASP 500.A OD1 no hydrogen 2.901 N/A LEU 504.A N ASP 500.A O no hydrogen 2.865 N/A ALA 505.A N PHE 501.A O no hydrogen 2.975 N/A GLU 506.A N ILE 502.A O no hydrogen 3.039 N/A ALA 507.A N LYS 503.A O no hydrogen 2.844 N/A MET 508.A N LEU 504.A O no hydrogen 2.888 N/A GLY 509.A N GLU 506.A O no hydrogen 2.913 N/A LEU 510.A N ALA 505.A O no hydrogen 2.759 N/A LYS 511.A N PRO 534.A O no hydrogen 3.510 N/A LYS 511.A NZ GLU 527.A OE2 no hydrogen 3.516 N/A LEU 513.A N LEU 536.A O no hydrogen 2.764 N/A ARG 514.A NE GLU 538.A OE1 no hydrogen 2.934 N/A ARG 514.A NH2 ASP 500.A OD1 no hydrogen 2.938 N/A ARG 514.A NH2 GLU 538.A OE1 no hydrogen 3.283 N/A VAL 515.A N GLU 538.A O no hydrogen 2.820 N/A GLN 518.A NE2 THR 362.A O no hydrogen 3.178 N/A GLN 518.A NE2 SER 365.A O no hydrogen 2.656 N/A GLU 520.A N LYS 517.A O no hydrogen 3.154 N/A LEU 521.A N GLN 518.A O no hydrogen 3.118 N/A LYS 524.A N GLU 520.A O no hydrogen 3.060 N/A LEU 525.A N LEU 521.A O no hydrogen 2.994 N/A LYS 526.A N ASP 522.A O no hydrogen 3.188 N/A GLU 527.A N ALA 523.A O no hydrogen 2.950 N/A PHE 528.A N LYS 524.A O no hydrogen 2.797 N/A VAL 529.A N LEU 525.A O no hydrogen 3.059 N/A SER 530.A N LYS 526.A O no hydrogen 3.029 N/A SER 530.A OG LYS 526.A O no hydrogen 2.722 N/A SER 530.A OG GLU 527.A O no hydrogen 3.360 N/A THR 531.A N PHE 528.A O no hydrogen 3.344 N/A THR 531.A OG1 GLU 527.A O no hydrogen 2.624 N/A VAL 535.A N VAL 466.A O no hydrogen 3.132 N/A LEU 536.A N LYS 511.A O no hydrogen 2.901 N/A LEU 537.A N ILE 468.A O no hydrogen 2.749 N/A GLU 538.A N LEU 513.A O no hydrogen 2.769 N/A VAL 539.A N ILE 470.A O no hydrogen 2.974 N/A GLU 540.A N VAL 515.A O no hydrogen 3.026 N/A VAL 541.A N ASN 472.A O no hydrogen 3.053 N/A ASP 542.A N ILE 367.A O no hydrogen 2.857 N/A LYS 543.A N ASP 542.A OD1 no hydrogen 2.963 N/A LYS 543.A NZ GLU 474.A OE1 no hydrogen 2.708 N/A LYS 544.A N GLU 475.A OE2 no hydrogen 2.847 N/A LYS 544.A NZ GLU 475.A OE1 no hydrogen 2.704 N/A LYS 544.A NZ HIS 495.A NE2 no hydrogen 2.894 N/A VAL 547.A N GLN 481.A OE1 no hydrogen 2.764 N/A MET 550.A N ILE 561.A O no hydrogen 3.085 N/A VAL 551.A N MET 250.A O no hydrogen 2.863 N/A SER 555.A N ALA 552.A O no hydrogen 3.312 N/A SER 555.A OG ALA 552.A O no hydrogen 3.144 N/A GLY 556.A N GLU 559.A OE2 no hydrogen 2.700 N/A GLU 559.A N GLY 556.A O no hydrogen 2.763 N/A ILE 561.A N MET 550.A O no hydrogen 3.014 N/A VAL 567.A N ASP 564.A OD1 no hydrogen 2.967 N/A GLU 568.A N ASP 564.A O no hydrogen 3.018 N/A ARG 569.A N PRO 565.A O no hydrogen 3.203 N/A ARG 569.A NH2 GLU 566.A OE1 no hydrogen 3.292 N/A GLN 570.A N GLU 566.A O no hydrogen 3.091 N/A GLN 571.A N VAL 567.A O no hydrogen 2.904 N/A THR 572.A N GLU 568.A O no hydrogen 2.999 N/A THR 572.A OG1 GLU 568.A O no hydrogen 2.975 N/A GLU 573.A N ARG 569.A O no hydrogen 3.245 N/A LEU 574.A N GLN 570.A O no hydrogen 3.036 N/A ARG 575.A N GLN 571.A O no hydrogen 2.746 N/A ARG 575.A NE HIS 583.A O no hydrogen 2.960 N/A HIS 576.A N THR 572.A O no hydrogen 2.933 N/A HIS 576.A ND1 HIS 583.A OXT no hydrogen 2.827 N/A LYS 577.A N GLU 573.A O no hydrogen 2.966 N/A ARG 578.A N LEU 574.A O no hydrogen 2.942 N/A ARG 578.A NH1 HIS 489.A ND1 no hydrogen 2.827 N/A THR 579.A N ARG 575.A O no hydrogen 2.934 N/A THR 579.A OG1 ARG 575.A O no hydrogen 2.820 N/A THR 579.A OG1 HIS 576.A O no hydrogen 3.532 N/A THR 579.A OG1 HIS 583.A OXT no hydrogen 2.908 N/A GLY 580.A N LYS 577.A O no hydrogen 3.488 N/A GLY 581.A N HIS 576.A O no hydrogen 2.744 N/A LYS 582.A N THR 579.A O no hydrogen 3.115 N/A HIS 583.A N THR 579.A OG1 no hydrogen 3.048 N/A