Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jak_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N ALA 318.A O no hydrogen 3.049 N/A THR 4.A N GLN 77.A OE1 no hydrogen 2.757 N/A THR 4.A OG1 GLN 77.A OE1 no hydrogen 3.065 N/A LYS 5.A N GLN 77.A OE1 no hydrogen 2.879 N/A LYS 5.A NZ GLU 48.A OE1 no hydrogen 2.674 N/A LYS 5.A NZ SER 74.A O no hydrogen 3.006 N/A VAL 6.A N GLN 28.A O no hydrogen 2.886 N/A LEU 7.A N ALA 78.A O no hydrogen 2.877 N/A ILE 8.A N VAL 30.A O no hydrogen 2.869 N/A ALA 9.A N HIS 80.A O no hydrogen 2.932 N/A ASN 10.A ND2 PRO 81.A O no hydrogen 2.807 N/A ASN 10.A ND2 CYS 83.A O no hydrogen 2.819 N/A ARG 11.A N ASN 10.A OD1 no hydrogen 2.825 N/A ARG 11.A NE ASP 37.A OD1 no hydrogen 3.107 N/A ARG 11.A NE ASP 37.A OD2 no hydrogen 2.911 N/A ARG 11.A NH2 ASP 37.A OD1 no hydrogen 2.670 N/A GLY 12.A N HIS 42.A ND1 no hydrogen 3.470 N/A CYS 16.A N GLY 12.A O no hydrogen 3.211 N/A CYS 16.A SG GLY 12.A O no hydrogen 3.561 N/A ARG 17.A N GLU 13.A O no hydrogen 2.782 N/A ARG 17.A NE HIS 298.A NE2 no hydrogen 3.648 N/A ARG 17.A NH1 ARG 17.A O no hydrogen 2.884 N/A ARG 17.A NH1 THR 21.A OG1 no hydrogen 2.719 N/A ARG 17.A NH2 GLU 302.A OE1 no hydrogen 3.111 N/A ARG 17.A NH2 GLU 302.A OE2 no hydrogen 3.436 N/A ARG 17.A NH2 ASP 308.A OD1 no hydrogen 2.400 N/A VAL 18.A N ILE 14.A O no hydrogen 3.033 N/A MET 19.A N ALA 15.A O no hydrogen 2.966 N/A ARG 20.A N CYS 16.A O no hydrogen 2.921 N/A THR 21.A OG1 ASP 308.A OD1 no hydrogen 3.495 N/A THR 21.A OG1 ASP 308.A OD2 no hydrogen 2.646 N/A ALA 22.A N VAL 18.A O no hydrogen 2.922 N/A LYS 23.A N MET 19.A O no hydrogen 2.882 N/A LYS 23.A NZ MET 45.A O no hydrogen 2.658 N/A LYS 23.A NZ ASP 47.A OD1 no hydrogen 2.791 N/A LYS 24.A N ARG 20.A O no hydrogen 3.078 N/A LYS 24.A NZ GLU 311.A OE2 no hydrogen 3.232 N/A LEU 25.A N THR 21.A O no hydrogen 3.056 N/A LEU 25.A N ALA 22.A O no hydrogen 3.086 N/A GLY 26.A N LYS 23.A O no hydrogen 3.014 N/A VAL 27.A N ALA 22.A O no hydrogen 2.896 N/A GLN 28.A N THR 4.A O no hydrogen 2.823 N/A THR 29.A N ASP 47.A OD2 no hydrogen 2.760 N/A THR 29.A OG1 ASP 47.A OD2 no hydrogen 2.733 N/A VAL 30.A N VAL 6.A O no hydrogen 2.876 N/A ALA 31.A N GLU 48.A O no hydrogen 2.820 N/A TYR 33.A N TYR 50.A O no hydrogen 2.940 N/A SER 34.A OG ASP 37.A OD2 no hydrogen 2.961 N/A SER 34.A OG TYR 384.A OH no hydrogen 2.752 N/A GLU 35.A N GLY 53.A O no hydrogen 2.860 N/A ASP 37.A N SER 34.A O no hydrogen 2.891 N/A ASP 37.A N SER 34.A OG no hydrogen 3.196 N/A ARG 38.A N GLU 35.A O no hydrogen 3.505 N/A SER 40.A N ASP 37.A O no hydrogen 2.879 N/A SER 40.A OG ASP 37.A O no hydrogen 3.290 N/A SER 40.A OG ASP 37.A OD1 no hydrogen 3.245 N/A HIS 42.A NE2 VAL 32.A O no hydrogen 3.173 N/A VAL 43.A N SER 40.A O no hydrogen 3.010 N/A ASP 44.A N SER 40.A O no hydrogen 3.375 N/A MET 45.A N MET 41.A O no hydrogen 2.982 N/A ALA 46.A N HIS 42.A O no hydrogen 3.241 N/A ALA 46.A N VAL 43.A O no hydrogen 3.357 N/A ASP 47.A N THR 29.A O no hydrogen 2.969 N/A ASP 47.A N THR 29.A OG1 no hydrogen 3.239 N/A GLU 48.A N THR 29.A O no hydrogen 3.168 N/A TYR 50.A N ALA 31.A O no hydrogen 2.988 N/A TYR 50.A OH GLU 48.A OE2 no hydrogen 3.200 N/A ILE 52.A N TYR 33.A O no hydrogen 2.844 N/A GLN 59.A N PRO 56.A O no hydrogen 2.922 N/A SER 60.A N SER 57.A O no hydrogen 3.140 N/A SER 60.A OG PRO 54.A O no hydrogen 3.156 N/A SER 60.A OG PRO 56.A O no hydrogen 3.050 N/A TYR 61.A OH ASP 37.A OD2 no hydrogen 2.544 N/A LEU 62.A N SER 57.A O no hydrogen 2.840 N/A SER 63.A N SER 60.A O no hydrogen 2.885 N/A LYS 66.A NZ ILE 52.A O no hydrogen 2.869 N/A LYS 66.A NZ GLN 59.A O no hydrogen 2.733 N/A ILE 67.A N SER 63.A O no hydrogen 3.156 N/A ILE 68.A N MET 64.A O no hydrogen 2.961 N/A GLN 69.A N GLU 65.A O no hydrogen 2.897 N/A GLN 69.A NE2 THR 73.A OG1 no hydrogen 3.205 N/A VAL 70.A N LYS 66.A O no hydrogen 2.948 N/A ALA 71.A N ILE 67.A O no hydrogen 2.952 N/A LYS 72.A N ILE 68.A O no hydrogen 2.966 N/A LYS 72.A NZ GLU 99.A OE1 no hydrogen 2.825 N/A LYS 72.A NZ GLU 99.A OE2 no hydrogen 2.655 N/A THR 73.A N GLN 69.A O no hydrogen 2.905 N/A THR 73.A OG1 GLN 69.A O no hydrogen 3.108 N/A SER 74.A N VAL 70.A O no hydrogen 2.846 N/A SER 74.A OG VAL 70.A O no hydrogen 2.718 N/A SER 74.A OG ALA 71.A O no hydrogen 3.330 N/A ALA 75.A N LYS 72.A O no hydrogen 3.161 N/A ALA 76.A N ALA 71.A O no hydrogen 2.975 N/A GLN 77.A N LYS 5.A O no hydrogen 3.054 N/A GLN 77.A NE2 THR 4.A OG1 no hydrogen 2.921 N/A ILE 79.A N ILE 102.A O no hydrogen 2.832 N/A HIS 80.A N LEU 7.A O no hydrogen 2.811 N/A GLY 82.A N HIS 80.A ND1 no hydrogen 3.028 N/A SER 87.A N GLY 84.A O no hydrogen 3.052 N/A SER 87.A OG GLY 84.A O no hydrogen 2.655 N/A ASN 89.A N LEU 86.A O no hydrogen 3.242 N/A GLU 91.A N GLU 91.A OE2 no hydrogen 2.804 N/A PHE 92.A N ASN 89.A OD1 no hydrogen 2.771 N/A ALA 93.A N ASN 89.A O no hydrogen 3.215 N/A GLU 94.A N MET 90.A O no hydrogen 2.972 N/A LEU 95.A N GLU 91.A O no hydrogen 2.858 N/A CYS 96.A N PHE 92.A O no hydrogen 2.912 N/A CYS 96.A SG PHE 92.A O no hydrogen 3.191 N/A LYS 97.A N ALA 93.A O no hydrogen 3.247 N/A GLN 98.A N GLU 94.A O no hydrogen 2.896 N/A GLU 99.A N LEU 95.A O no hydrogen 3.016 N/A GLY 100.A N LYS 97.A O no hydrogen 3.198 N/A ILE 101.A N CYS 96.A O no hydrogen 2.860 N/A ILE 102.A N GLN 77.A O no hydrogen 2.903 N/A ILE 104.A N ILE 79.A O no hydrogen 2.922 N/A ILE 111.A N PRO 107.A O no hydrogen 3.214 N/A ARG 112.A N PRO 108.A O no hydrogen 3.012 N/A ARG 112.A NE ASP 113.A OD1 no hydrogen 3.024 N/A ARG 112.A NH2 ASP 113.A OD1 no hydrogen 2.929 N/A ASP 113.A N SER 109.A O no hydrogen 2.906 N/A MET 114.A N ALA 110.A O no hydrogen 3.119 N/A GLY 115.A N ILE 111.A O no hydrogen 2.997 N/A GLY 115.A N ARG 112.A O no hydrogen 3.200 N/A SER 120.A N ILE 116.A O no hydrogen 2.879 N/A SER 120.A OG ILE 116.A O no hydrogen 3.321 N/A SER 120.A OG LYS 117.A O no hydrogen 2.891 N/A LYS 121.A N LYS 117.A O no hydrogen 2.904 N/A SER 122.A N SER 118.A O no hydrogen 3.075 N/A SER 122.A OG SER 118.A O no hydrogen 2.798 N/A ILE 123.A N THR 119.A O no hydrogen 3.032 N/A MET 124.A N SER 120.A O no hydrogen 2.899 N/A ALA 125.A N LYS 121.A O no hydrogen 2.839 N/A ALA 126.A N SER 122.A O no hydrogen 3.036 N/A ALA 127.A N ILE 123.A O no hydrogen 2.940 N/A GLY 128.A N ALA 125.A O no hydrogen 3.044 N/A HIS 136.A ND1 GLU 201.A OE2 no hydrogen 3.202 N/A GLN 140.A NE2 GLU 138.A O no hydrogen 3.154 N/A GLN 140.A NE2 MET 198.A O no hydrogen 2.924 N/A CYS 144.A SG ASP 139.A OD2 no hydrogen 3.591 N/A LEU 145.A N SER 141.A O no hydrogen 2.865 N/A LYS 146.A N ASP 142.A O no hydrogen 2.961 N/A GLU 147.A N GLN 143.A O no hydrogen 2.934 N/A HIS 148.A N CYS 144.A O no hydrogen 2.986 N/A ALA 149.A N LEU 145.A O no hydrogen 2.939 N/A ARG 150.A N LYS 146.A O no hydrogen 2.984 N/A ARG 151.A N GLU 147.A O no hydrogen 2.859 N/A ILE 152.A N HIS 148.A O no hydrogen 2.989 N/A GLY 153.A N ARG 150.A O no hydrogen 3.015 N/A VAL 156.A N VAL 172.A O no hydrogen 2.751 N/A ILE 158.A N ARG 170.A O no hydrogen 2.834 N/A VAL 161.A N ALA 197.A O no hydrogen 2.968 N/A ARG 162.A NE ASP 195.A OD2 no hydrogen 2.770 N/A ARG 170.A N ILE 158.A O no hydrogen 2.749 N/A ARG 170.A NE SER 184.A OG no hydrogen 3.136 N/A ARG 170.A NH1 MET 169.A O no hydrogen 3.098 N/A ARG 170.A NH1 GLU 188.A OE2 no hydrogen 2.845 N/A ARG 170.A NH2 SER 184.A OG no hydrogen 3.016 N/A ARG 170.A NH2 GLU 188.A OE2 no hydrogen 2.897 N/A VAL 172.A N VAL 156.A O no hydrogen 2.752 N/A ARG 173.A N GLU 177.A OE2 no hydrogen 3.123 N/A SER 174.A OG GLU 177.A OE1 no hydrogen 2.623 N/A PHE 178.A N GLU 175.A O no hydrogen 3.380 N/A GLN 179.A NE2 ASP 142.A OD2 no hydrogen 2.782 N/A GLN 179.A NE2 GLU 183.A OE1 no hydrogen 2.950 N/A GLN 181.A N GLU 177.A O no hydrogen 3.144 N/A LEU 182.A N PHE 178.A O no hydrogen 2.915 N/A GLU 183.A N GLN 179.A O no hydrogen 3.036 N/A SER 184.A N GLU 180.A O no hydrogen 2.977 N/A ALA 185.A N GLN 181.A O no hydrogen 2.887 N/A ARG 186.A N LEU 182.A O no hydrogen 2.882 N/A ARG 186.A NH1 ASP 142.A OD1 no hydrogen 2.699 N/A ARG 186.A NH2 GLN 140.A O no hydrogen 2.638 N/A ARG 187.A N GLU 183.A O no hydrogen 3.079 N/A ARG 187.A NE GLU 183.A O no hydrogen 3.188 N/A GLU 188.A N SER 184.A O no hydrogen 3.175 N/A ALA 189.A N ALA 185.A O no hydrogen 2.887 N/A LYS 190.A N ARG 186.A O no hydrogen 2.818 N/A LYS 190.A NZ ASN 194.A O no hydrogen 3.418 N/A LYS 190.A NZ ASP 196.A OD1 no hydrogen 2.876 N/A LYS 191.A N ARG 187.A O no hydrogen 3.028 N/A SER 192.A N GLU 188.A O no hydrogen 2.935 N/A SER 192.A N ALA 189.A O no hydrogen 3.183 N/A SER 192.A OG GLU 188.A O no hydrogen 2.794 N/A PHE 193.A N ALA 189.A O no hydrogen 2.779 N/A ASN 194.A N LYS 190.A O no hydrogen 3.010 N/A ALA 197.A N ASP 195.A OD1 no hydrogen 2.885 N/A MET 198.A N GLN 140.A OE1 no hydrogen 2.749 N/A LEU 199.A N LYS 159.A O no hydrogen 2.804 N/A LYS 202.A NZ PRO 155.A O no hydrogen 3.304 N/A ARG 208.A N MET 279.A O no hydrogen 2.861 N/A ARG 208.A NH2 PRO 246.A O no hydrogen 2.985 N/A HIS 209.A N SER 231.A OG no hydrogen 3.118 N/A HIS 209.A ND1 GLN 233.A OE1 no hydrogen 3.207 N/A GLU 211.A N ARG 228.A O no hydrogen 3.017 N/A VAL 212.A N VAL 275.A O no hydrogen 2.966 N/A GLN 213.A NE2 VAL 214.A O no hydrogen 3.332 N/A VAL 214.A N GLY 273.A O no hydrogen 2.778 N/A PHE 215.A N VAL 223.A O no hydrogen 2.797 N/A GLY 216.A N GLY 271.A O no hydrogen 3.038 N/A ASP 217.A N ASN 221.A O no hydrogen 3.237 N/A GLY 220.A N ASP 217.A O no hydrogen 2.898 N/A GLY 220.A N ASP 217.A OD1 no hydrogen 2.802 N/A VAL 223.A N PHE 215.A O no hydrogen 2.881 N/A LEU 225.A N GLN 213.A O no hydrogen 2.784 N/A ARG 228.A N GLU 211.A O no hydrogen 2.768 N/A ARG 228.A NH2 THR 274.A OG1 no hydrogen 3.198 N/A ASP 229.A N GLU 242.A O no hydrogen 2.844 N/A CYS 230.A N HIS 209.A O no hydrogen 3.130 N/A CYS 230.A SG GLU 297.A OE1 no hydrogen 3.700 N/A SER 231.A N ASP 229.A OD1 no hydrogen 3.101 N/A SER 231.A OG ASP 229.A OD1 no hydrogen 3.147 N/A SER 231.A OG ASP 229.A OD2 no hydrogen 3.237 N/A ARG 234.A N GLN 237.A O no hydrogen 2.787 N/A ARG 235.A NH1 ASN 348.A OD1 no hydrogen 3.270 N/A ARG 235.A NH2 ASN 348.A OD1 no hydrogen 3.094 N/A GLN 237.A N ARG 234.A O no hydrogen 2.991 N/A LYS 238.A NZ GLU 211.A OE2 no hydrogen 2.639 N/A LYS 238.A NZ GLU 276.A OE1 no hydrogen 2.927 N/A LYS 238.A NZ GLU 297.A OE1 no hydrogen 2.661 N/A ILE 239.A N VAL 232.A O no hydrogen 3.057 N/A ILE 240.A N VAL 232.A O no hydrogen 3.503 N/A GLU 241.A N GLU 337.A O no hydrogen 2.936 N/A GLU 242.A N ASP 229.A O no hydrogen 2.992 N/A ALA 243.A N ALA 335.A O no hydrogen 3.029 N/A ILE 248.A N ALA 245.A O no hydrogen 3.502 N/A LYS 249.A NZ HIS 283.A ND1 no hydrogen 3.228 N/A ARG 253.A N LYS 249.A O no hydrogen 2.892 N/A LYS 254.A N SER 250.A O no hydrogen 2.914 N/A LYS 255.A N GLU 251.A O no hydrogen 3.042 N/A LYS 255.A NZ GLU 251.A OE1 no hydrogen 3.104 N/A LEU 256.A N VAL 252.A O no hydrogen 2.769 N/A GLY 257.A N ARG 253.A O no hydrogen 2.792 N/A GLU 258.A N LYS 254.A O no hydrogen 2.992 N/A ALA 259.A N LYS 255.A O no hydrogen 3.181 N/A ALA 260.A N LEU 256.A O no hydrogen 3.449 N/A VAL 261.A N GLY 257.A O no hydrogen 2.711 N/A ARG 262.A N GLU 258.A O no hydrogen 3.070 N/A ALA 263.A N ALA 259.A O no hydrogen 3.453 N/A ALA 264.A N ALA 260.A O no hydrogen 2.985 N/A LYS 265.A N VAL 261.A O no hydrogen 2.874 N/A ALA 266.A N ARG 262.A O no hydrogen 2.865 N/A VAL 267.A N ALA 263.A O no hydrogen 3.069 N/A ASN 268.A N LYS 265.A O no hydrogen 2.882 N/A TYR 269.A N ALA 264.A O no hydrogen 2.932 N/A TYR 269.A OH ALA 272.A O no hydrogen 2.919 N/A GLY 271.A N GLY 216.A O no hydrogen 2.958 N/A GLY 273.A N VAL 214.A O no hydrogen 2.698 N/A THR 274.A N ASN 291.A O no hydrogen 3.187 N/A VAL 275.A N VAL 212.A O no hydrogen 3.027 N/A GLU 276.A N GLU 289.A O no hydrogen 2.725 N/A PHE 277.A N VAL 210.A O no hydrogen 2.781 N/A ILE 278.A N CYS 286.A O no hydrogen 2.879 N/A MET 279.A N ARG 208.A O no hydrogen 3.049 N/A ASP 280.A N ASN 284.A O no hydrogen 2.887 N/A LYS 282.A N ASP 280.A OD1 no hydrogen 2.841 N/A HIS 283.A N ASP 280.A O no hydrogen 3.000 N/A ASN 284.A N ASP 280.A OD1 no hydrogen 2.810 N/A ASN 284.A ND2 ASP 280.A OD2 no hydrogen 2.854 N/A CYS 286.A N ILE 278.A O no hydrogen 2.904 N/A PHE 287.A N PRO 130.A O no hydrogen 3.106 N/A MET 288.A N GLU 276.A O no hydrogen 2.833 N/A GLU 289.A N GLU 276.A O no hydrogen 3.408 N/A ASN 291.A N THR 274.A O no hydrogen 3.057 N/A ARG 293.A NE GLU 88.A OE2 no hydrogen 2.724 N/A ARG 293.A NH1 LEU 294.A O no hydrogen 3.484 N/A ARG 293.A NH1 GLN 295.A OE1 no hydrogen 2.772 N/A ARG 293.A NH2 GLN 295.A OE1 no hydrogen 3.506 N/A GLU 297.A N GLU 297.A OE2 no hydrogen 2.706 N/A HIS 298.A N GLN 295.A O no hydrogen 3.286 N/A HIS 298.A ND1 GLN 295.A O no hydrogen 2.839 N/A VAL 300.A N GLU 297.A O no hydrogen 3.316 N/A GLU 302.A N HIS 298.A O no hydrogen 3.067 N/A MET 303.A N PRO 299.A O no hydrogen 2.938 N/A ILE 304.A N VAL 300.A O no hydrogen 3.329 N/A ILE 304.A N THR 301.A O no hydrogen 3.193 N/A THR 305.A N THR 301.A O no hydrogen 3.062 N/A THR 305.A OG1 THR 301.A O no hydrogen 2.927 N/A THR 305.A OG1 THR 307.A OG1 no hydrogen 2.741 N/A GLY 306.A N GLU 302.A O no hydrogen 2.823 N/A THR 307.A N THR 305.A OG1 no hydrogen 3.347 N/A THR 307.A OG1 THR 305.A OG1 no hydrogen 2.741 N/A LEU 309.A N GLU 302.A OE1 no hydrogen 2.754 N/A GLU 311.A N ASP 308.A OD1 no hydrogen 3.073 N/A TRP 312.A N ASP 308.A O no hydrogen 3.078 N/A GLN 313.A N LEU 309.A O no hydrogen 2.924 N/A LEU 314.A N VAL 310.A O no hydrogen 3.021 N/A ARG 315.A N GLU 311.A O no hydrogen 3.043 N/A ARG 315.A NE GLU 311.A OE1 no hydrogen 3.095 N/A ARG 315.A NH2 GLU 311.A OE1 no hydrogen 2.738 N/A ILE 316.A N TRP 312.A O no hydrogen 2.907 N/A ALA 317.A N GLN 313.A O no hydrogen 2.936 N/A ALA 318.A N LEU 314.A O no hydrogen 2.981 N/A GLY 319.A N ILE 316.A O no hydrogen 2.887 N/A GLU 320.A N ARG 315.A O no hydrogen 3.149 N/A SER 325.A N GLU 328.A OE2 no hydrogen 2.841 N/A SER 325.A OG GLU 327.A OE2 no hydrogen 3.409 N/A GLN 326.A NE2 TYR 224.A O no hydrogen 3.688 N/A GLU 327.A N GLU 327.A OE2 no hydrogen 2.830 N/A GLU 328.A N SER 325.A OG no hydrogen 3.214 N/A ILE 329.A N SER 325.A O no hydrogen 3.190 N/A GLN 332.A NE2 THR 330.A OG1 no hydrogen 3.036 N/A HIS 334.A N ALA 395.A O no hydrogen 2.891 N/A ALA 335.A N ALA 243.A O no hydrogen 2.710 N/A PHE 336.A N VAL 393.A O no hydrogen 3.069 N/A GLU 337.A N GLU 241.A O no hydrogen 2.750 N/A ALA 338.A N LEU 391.A O no hydrogen 2.893 N/A ARG 339.A N ILE 239.A O no hydrogen 3.153 N/A ARG 339.A NH1 TYR 341.A OH no hydrogen 3.121 N/A ILE 340.A N ALA 389.A O no hydrogen 2.637 N/A TYR 341.A N ASN 420.A OD1 no hydrogen 2.868 N/A ALA 342.A N PRO 386.A O no hydrogen 3.260 N/A ASP 344.A N MET 350.A O no hydrogen 2.919 N/A SER 346.A OG ASP 344.A OD1 no hydrogen 2.607 N/A ASN 347.A N ASP 344.A O no hydrogen 3.146 N/A ASN 347.A N ASP 344.A OD1 no hydrogen 3.126 N/A MET 350.A N ASN 347.A O no hydrogen 3.129 N/A VAL 352.A N ALA 342.A O no hydrogen 2.835 N/A LEU 356.A N ASP 378.A O no hydrogen 2.811 N/A HIS 358.A N VAL 415.A O no hydrogen 3.040 N/A ASP 365.A N THR 368.A O no hydrogen 3.252 N/A SER 367.A OG TRP 394.A O no hydrogen 2.872 N/A THR 368.A N ASP 365.A OD1 no hydrogen 3.163 N/A THR 368.A OG1 ASP 365.A OD2 no hydrogen 2.891 N/A ARG 369.A N VAL 392.A O no hydrogen 3.096 N/A ARG 369.A NE GLU 371.A OE1 no hydrogen 3.132 N/A ARG 369.A NH2 GLU 302.A OE2 no hydrogen 3.468 N/A ARG 369.A NH2 GLU 371.A OE1 no hydrogen 3.414 N/A ARG 369.A NH2 GLU 371.A OE2 no hydrogen 3.375 N/A GLU 371.A N LYS 390.A O no hydrogen 3.063 N/A THR 372.A OG1 VAL 374.A O no hydrogen 2.749 N/A VAL 374.A N THR 372.A OG1 no hydrogen 3.254 N/A ARG 375.A N ASP 378.A OD2 no hydrogen 2.846 N/A ARG 375.A NE ASP 378.A OD1 no hydrogen 3.489 N/A ARG 375.A NE ASP 378.A OD2 no hydrogen 3.218 N/A ARG 375.A NH1 ASP 44.A OD2 no hydrogen 3.380 N/A ARG 375.A NH2 ASN 39.A O no hydrogen 2.745 N/A ARG 375.A NH2 ASP 378.A OD1 no hydrogen 3.144 N/A GLN 376.A NE2 VAL 357.A O no hydrogen 2.866 N/A GLY 377.A N LEU 356.A O no hydrogen 2.655 N/A ASP 378.A N ARG 375.A O no hydrogen 2.947 N/A VAL 380.A N GLY 354.A O no hydrogen 2.852 N/A HIS 383.A N SER 381.A OG no hydrogen 3.083 N/A ILE 388.A N ILE 340.A O no hydrogen 2.643 N/A ALA 389.A N ILE 340.A O no hydrogen 3.442 N/A LYS 390.A N GLU 371.A O no hydrogen 3.330 N/A LYS 390.A NZ GLU 13.A OE1 no hydrogen 2.564 N/A LYS 390.A NZ VAL 296.A O no hydrogen 3.242 N/A LEU 391.A N ALA 338.A O no hydrogen 2.902 N/A VAL 392.A N ARG 369.A O no hydrogen 3.381 N/A VAL 393.A N PHE 336.A O no hydrogen 2.996 N/A TRP 394.A NE1 GLN 332.A O no hydrogen 2.848 N/A ALA 395.A N HIS 334.A O no hydrogen 2.831 N/A ARG 398.A NE GLU 242.A OE2 no hydrogen 3.278 N/A ARG 398.A NH2 GLU 242.A OE1 no hydrogen 3.449 N/A ARG 398.A NH2 GLU 242.A OE2 no hydrogen 3.096 N/A ARG 398.A NH2 PHE 433.A O no hydrogen 3.289 N/A ALA 400.A N ASP 397.A OD2 no hydrogen 3.125 N/A ALA 401.A N ASP 397.A O no hydrogen 2.975 N/A LEU 402.A N ARG 398.A O no hydrogen 2.945 N/A THR 403.A N GLN 399.A O no hydrogen 3.054 N/A THR 403.A OG1 GLN 399.A O no hydrogen 2.921 N/A LYS 404.A N ALA 400.A O no hydrogen 2.898 N/A LYS 404.A NZ ASP 365.A OD1 no hydrogen 3.066 N/A LEU 405.A N ALA 401.A O no hydrogen 2.948 N/A ARG 406.A N LEU 402.A O no hydrogen 3.163 N/A ARG 406.A NH1 GLU 434.A OE1 no hydrogen 2.814 N/A TYR 407.A N THR 403.A O no hydrogen 3.082 N/A SER 408.A N LYS 404.A O no hydrogen 2.856 N/A SER 408.A OG LYS 404.A O no hydrogen 2.786 N/A LEU 409.A N LEU 405.A O no hydrogen 2.719 N/A ARG 410.A N ARG 406.A O no hydrogen 3.290 N/A GLN 411.A N SER 408.A O no hydrogen 2.938 N/A GLN 411.A NE2 TYR 407.A O no hydrogen 3.262 N/A TYR 412.A N SER 408.A O no hydrogen 3.167 N/A ASN 413.A N SER 360.A O no hydrogen 3.029 N/A ASN 413.A ND2 ARG 410.A O no hydrogen 3.354 N/A VAL 415.A N HIS 358.A O no hydrogen 2.950 N/A ASN 420.A N TYR 341.A O no hydrogen 3.111 N/A ASN 420.A ND2 ARG 339.A O no hydrogen 2.942 N/A LEU 424.A N ASN 420.A O no hydrogen 2.901 N/A LEU 425.A N ILE 421.A O no hydrogen 2.924 N/A ASN 426.A N ASP 422.A O no hydrogen 3.007 N/A ASN 426.A ND2 LEU 450.A O no hydrogen 2.881 N/A LEU 427.A N PHE 423.A O no hydrogen 2.870 N/A SER 428.A N LEU 424.A O no hydrogen 2.885 N/A SER 428.A OG LEU 424.A O no hydrogen 2.720 N/A SER 428.A OG LEU 425.A O no hydrogen 3.269 N/A GLY 429.A N LEU 425.A O no hydrogen 3.241 N/A GLY 429.A N ASN 426.A O no hydrogen 3.318 N/A HIS 430.A N LEU 427.A O no hydrogen 3.051 N/A GLU 432.A N HIS 430.A ND1 no hydrogen 3.185 N/A GLU 434.A N HIS 430.A O no hydrogen 2.980 N/A ALA 435.A N PRO 431.A O no hydrogen 2.923 N/A GLY 436.A N PHE 433.A O no hydrogen 3.062 N/A ASN 437.A N GLU 432.A O no hydrogen 2.926 N/A ASN 437.A ND2 GLU 432.A OE2 no hydrogen 2.823 N/A THR 440.A N PRO 207.A O no hydrogen 2.890 N/A THR 440.A OG1 THR 206.A O no hydrogen 2.955 N/A ASP 441.A N HIS 439.A ND1 no hydrogen 3.315 N/A PHE 442.A N HIS 439.A O no hydrogen 3.024 N/A GLN 445.A N ASP 441.A O no hydrogen 2.879 N/A HIS 446.A N PHE 442.A O no hydrogen 2.978 N/A HIS 447.A N PRO 444.A O no hydrogen 3.493 N/A LYS 448.A NZ HIS 447.A ND1 no hydrogen 3.478 N/A GLN 449.A N HIS 446.A O no hydrogen 2.939 N/A GLN 449.A NE2 HIS 446.A ND1 no hydrogen 3.465 N/A LEU 450.A N HIS 446.A O no hydrogen 3.134 N/A LEU 451.A N HIS 447.A O no hydrogen 3.317 N/A ALA 457.A N ASP 511.A OD2 no hydrogen 2.927 N/A LYS 459.A NZ ILE 532.A O no hydrogen 3.307 N/A LYS 459.A NZ GLU 533.A OE1 no hydrogen 3.250 N/A GLU 460.A N GLU 460.A OE1 no hydrogen 2.651 N/A LEU 462.A N ALA 458.A O no hydrogen 3.297 N/A CYS 463.A N LYS 459.A O no hydrogen 2.921 N/A CYS 463.A SG LYS 459.A O no hydrogen 3.219 N/A GLN 464.A N GLU 460.A O no hydrogen 2.914 N/A ALA 465.A N SER 461.A O no hydrogen 2.905 N/A ALA 466.A N LEU 462.A O no hydrogen 2.939 N/A LEU 467.A N CYS 463.A O no hydrogen 2.911 N/A GLY 468.A N GLN 464.A O no hydrogen 2.883 N/A LEU 469.A N ALA 465.A O no hydrogen 2.950 N/A ILE 470.A N ALA 466.A O no hydrogen 2.946 N/A LEU 471.A N LEU 467.A O no hydrogen 2.892 N/A LYS 472.A N GLY 468.A O no hydrogen 2.887 N/A GLU 473.A N LEU 469.A O no hydrogen 2.992 N/A LYS 474.A N ILE 470.A O no hydrogen 2.923 N/A ALA 475.A N LEU 471.A O no hydrogen 2.880 N/A MET 476.A N LYS 472.A O no hydrogen 2.940 N/A THR 477.A N GLU 473.A O no hydrogen 2.927 N/A THR 477.A OG1 GLU 473.A O no hydrogen 2.821 N/A ASP 478.A N LYS 474.A O no hydrogen 2.937 N/A THR 479.A N ALA 475.A O no hydrogen 2.894 N/A THR 479.A OG1 ALA 475.A O no hydrogen 3.215 N/A PHE 480.A N MET 476.A O no hydrogen 2.956 N/A THR 481.A N THR 477.A O no hydrogen 2.888 N/A THR 481.A OG1 THR 477.A O no hydrogen 2.671 N/A LEU 482.A N ASP 478.A O no hydrogen 2.955 N/A GLN 483.A N PHE 480.A O no hydrogen 3.195 N/A ALA 484.A N THR 481.A O no hydrogen 3.055 N/A GLN 487.A NE2 LEU 482.A O no hydrogen 3.163 N/A SER 489.A OG SER 492.A OG no hydrogen 3.278 N/A SER 492.A N SER 489.A O no hydrogen 3.081 N/A SER 492.A OG SER 489.A OG no hydrogen 3.278 N/A SER 493.A N PRO 490.A O no hydrogen 3.101 N/A ARG 497.A NH2 ARG 498.A O no hydrogen 3.450 N/A THR 504.A OG1 THR 521.A OG1 no hydrogen 3.122 N/A ARG 505.A N VAL 520.A O no hydrogen 2.524 N/A ARG 505.A NH1 GLU 473.A OE1 no hydrogen 2.940 N/A ARG 505.A NH1 GLU 473.A OE2 no hydrogen 3.385 N/A ARG 505.A NH1 TYR 522.A OH no hydrogen 3.564 N/A ARG 505.A NH2 GLU 473.A OE2 no hydrogen 3.073 N/A MET 507.A N ILE 518.A O no hydrogen 2.788 N/A LEU 509.A N VAL 516.A O no hydrogen 2.863 N/A LYS 510.A N ASP 584.A O no hydrogen 2.939 N/A ASP 511.A N ASN 514.A O no hydrogen 2.804 N/A ASN 514.A N ASP 511.A O no hydrogen 3.014 N/A VAL 516.A N LEU 509.A O no hydrogen 2.570 N/A ILE 518.A N MET 507.A O no hydrogen 2.759 N/A ALA 519.A N GLN 531.A O no hydrogen 3.161 N/A VAL 520.A N ARG 505.A O no hydrogen 2.757 N/A THR 521.A N SER 529.A O no hydrogen 2.910 N/A THR 521.A OG1 THR 504.A OG1 no hydrogen 3.122 N/A TYR 522.A N TYR 503.A O no hydrogen 2.975 N/A ASN 523.A N SER 527.A O no hydrogen 3.089 N/A ASN 523.A ND2 SER 527.A OG no hydrogen 2.746 N/A ASN 523.A ND2 SER 529.A OG no hydrogen 3.134 N/A GLY 526.A N ASN 523.A O no hydrogen 3.206 N/A SER 527.A N ASP 525.A OD1 no hydrogen 3.024 N/A SER 527.A OG ASP 525.A OD1 no hydrogen 3.015 N/A SER 527.A OG ASP 525.A OD2 no hydrogen 3.380 N/A TYR 528.A N VAL 539.A O no hydrogen 2.761 N/A SER 529.A N THR 521.A O no hydrogen 3.105 N/A SER 529.A OG ASN 523.A OD1 no hydrogen 3.526 N/A SER 529.A OG GLN 538.A OE1 no hydrogen 2.912 N/A MET 530.A N PHE 537.A O no hydrogen 2.874 N/A GLN 531.A N ALA 519.A O no hydrogen 3.006 N/A GLN 531.A NE2 GLU 533.A O no hydrogen 3.344 N/A ILE 532.A N LYS 535.A O no hydrogen 2.944 N/A LYS 535.A N ILE 532.A O no hydrogen 3.115 N/A PHE 537.A N MET 530.A O no hydrogen 2.708 N/A GLN 538.A N ASN 557.A OD1 no hydrogen 2.980 N/A VAL 539.A N TYR 528.A O no hydrogen 2.767 N/A LEU 540.A N SER 555.A O no hydrogen 3.230 N/A ASN 542.A N LYS 553.A O no hydrogen 2.869 N/A TYR 544.A N TYR 551.A O no hydrogen 2.969 N/A GLU 546.A N CYS 549.A O no hydrogen 3.081 N/A ASP 548.A N ASP 548.A OD1 no hydrogen 2.391 N/A CYS 549.A N GLU 546.A O no hydrogen 3.076 N/A CYS 549.A SG ASP 548.A OD1 no hydrogen 3.775 N/A TYR 551.A N TYR 544.A O no hydrogen 2.693 N/A LEU 552.A N ALA 563.A O no hydrogen 2.732 N/A LYS 553.A N ASN 542.A O no hydrogen 2.990 N/A CYS 554.A N SER 561.A O no hydrogen 3.178 N/A CYS 554.A SG SER 561.A O no hydrogen 4.021 N/A CYS 554.A SG SER 561.A OG no hydrogen 3.721 N/A SER 555.A N LEU 540.A O no hydrogen 2.804 N/A SER 555.A OG VAL 559.A O no hydrogen 3.405 N/A VAL 556.A N VAL 559.A O no hydrogen 2.717 N/A ASN 557.A N GLN 538.A O no hydrogen 2.844 N/A ASN 557.A ND2 THR 536.A O no hydrogen 3.630 N/A VAL 559.A N VAL 556.A O no hydrogen 2.928 N/A SER 561.A N CYS 554.A O no hydrogen 2.956 N/A ALA 563.A N LEU 552.A O no hydrogen 3.136 N/A LYS 564.A N PHE 575.A O no hydrogen 2.696 N/A LYS 564.A NZ SER 360.A OG no hydrogen 2.781 N/A LYS 564.A NZ ASN 413.A OD1 no hydrogen 2.751 N/A LEU 565.A N THR 550.A O no hydrogen 3.067 N/A ILE 566.A N TYR 573.A O no hydrogen 2.932 N/A LEU 568.A N THR 571.A O no hydrogen 3.162 N/A THR 571.A N LEU 568.A O no hydrogen 3.057 N/A THR 571.A OG1 ASP 584.A OD1 no hydrogen 3.242 N/A ILE 572.A N ILE 583.A O no hydrogen 2.595 N/A TYR 573.A N ILE 566.A O no hydrogen 2.691 N/A LEU 574.A N ILE 581.A O no hydrogen 3.020 N/A PHE 575.A N LYS 564.A O no hydrogen 2.835 N/A SER 576.A N GLY 579.A O no hydrogen 2.803 N/A SER 576.A OG GLU 578.A OE1 no hydrogen 3.473 N/A SER 576.A OG GLY 579.A O no hydrogen 2.996 N/A LYS 577.A NZ TYR 407.A OH no hydrogen 2.596 N/A GLU 578.A N GLU 578.A OE1 no hydrogen 2.794 N/A GLY 579.A N SER 576.A OG no hydrogen 3.398 N/A ILE 581.A N LEU 574.A O no hydrogen 3.015 N/A ILE 583.A N ILE 572.A O no hydrogen 2.956 N/A ASP 584.A N LYS 510.A O no hydrogen 2.988 N/A ILE 585.A N ASN 570.A O no hydrogen 2.568 N/A LEU 591.A N PRO 588.A O no hydrogen 3.204 N/A SER 592.A N LYS 589.A O no hydrogen 2.739 N/A SER 592.A OG LYS 589.A O no hydrogen 2.475 N/A SER 593.A OG SER 592.A O no hydrogen 2.489 N/A VAL 594.A N SER 592.A OG no hydrogen 3.246 N/A SER 595.A N SER 593.A OG no hydrogen 3.278 N/A GLY 609.A N ALA 659.A O no hydrogen 3.237 N/A ILE 611.A N ALA 657.A O no hydrogen 2.752 N/A GLU 612.A N VAL 630.A O no hydrogen 2.780 N/A LYS 613.A N VAL 630.A O no hydrogen 3.308 N/A VAL 614.A N GLU 655.A OE2 no hydrogen 2.971 N/A PHE 615.A N LEU 628.A O no hydrogen 2.693 N/A LYS 623.A N ASP 626.A OD2 no hydrogen 3.108 N/A ALA 624.A N ASP 645.A OD1 no hydrogen 2.824 N/A GLY 625.A N SER 642.A O no hydrogen 3.022 N/A ASP 626.A N LYS 623.A O no hydrogen 2.936 N/A LEU 628.A N ILE 640.A O no hydrogen 2.781 N/A VAL 630.A N LYS 613.A O no hydrogen 2.917 N/A MET 631.A N HIS 638.A O no hydrogen 2.835 N/A ILE 632.A N THR 610.A O no hydrogen 3.068 N/A ALA 633.A N MET 636.A O no hydrogen 3.085 N/A HIS 638.A N MET 631.A O no hydrogen 2.869 N/A ILE 640.A N MET 629.A O no hydrogen 2.720 N/A SER 642.A N ASP 626.A O no hydrogen 2.809 N/A SER 642.A OG LYS 644.A O no hydrogen 2.730 N/A LYS 644.A NZ THR 599.A O no hydrogen 2.539 N/A LYS 644.A NZ THR 599.A OG1 no hydrogen 3.366 N/A VAL 648.A N ASP 620.A O no hydrogen 2.818 N/A LYS 650.A N GLU 667.A O no hydrogen 2.965 N/A PHE 652.A N LEU 665.A O no hydrogen 2.972 N/A TYR 653.A OH THR 663.A OG1 no hydrogen 3.289 N/A GLY 656.A N ILE 611.A O no hydrogen 2.784 N/A ALA 657.A N ARG 654.A O no hydrogen 3.290 N/A ALA 659.A N GLY 609.A O no hydrogen 3.085 N/A ARG 661.A N THR 608.A OG1 no hydrogen 3.140 N/A ARG 661.A NE PRO 606.A O no hydrogen 2.887 N/A HIS 662.A N ALA 605.A O no hydrogen 3.372 N/A THR 663.A OG1 TYR 653.A OH no hydrogen 3.289 N/A THR 663.A OG1 ASN 660.A O no hydrogen 2.690 N/A GLU 667.A N LYS 650.A O no hydrogen 2.768 N/A GLU 669.A N THR 647.A O no hydrogen 3.205 N/A