Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dki_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N ASP 3.A O no hydrogen 3.369 N/A ASN 8.A N LYS 4.A O no hydrogen 2.804 N/A THR 9.A N GLU 5.A O no hydrogen 2.996 N/A THR 9.A OG1 GLU 5.A O no hydrogen 2.727 N/A THR 9.A OG1 ASP 24.A OD2 no hydrogen 2.959 N/A ILE 10.A N ILE 6.A O no hydrogen 3.089 N/A ASP 11.A N ASN 7.A O no hydrogen 2.660 N/A ALA 12.A N ASN 8.A O no hydrogen 3.005 N/A ILE 13.A N THR 9.A O no hydrogen 3.056 N/A GLU 14.A N ILE 10.A O no hydrogen 3.144 N/A ASP 15.A N ASP 11.A O no hydrogen 2.790 N/A LYS 16.A N ILE 13.A O no hydrogen 3.284 N/A LYS 16.A NZ VAL 51.A O no hydrogen 3.409 N/A LYS 16.A NZ LYS 52.A O no hydrogen 3.332 N/A ASN 17.A N ALA 12.A O no hydrogen 2.984 N/A LYS 19.A NZ GLU 35.A OE2 no hydrogen 3.406 N/A LYS 19.A NZ THR 39.A OG1 no hydrogen 3.072 N/A GLN 20.A N ASN 17.A O no hydrogen 2.905 N/A GLN 20.A N ASN 17.A OD1 no hydrogen 3.303 N/A GLN 20.A NE2 ASP 24.A OD1 no hydrogen 3.236 N/A VAL 21.A N ASN 17.A O no hydrogen 3.239 N/A TYR 22.A N PHE 18.A O no hydrogen 2.910 N/A LYS 23.A N LYS 19.A O no hydrogen 2.759 N/A ASP 24.A N GLN 20.A O no hydrogen 2.813 N/A SER 25.A N TYR 22.A O no hydrogen 3.101 N/A SER 25.A OG VAL 21.A O no hydrogen 3.198 N/A SER 26.A N LEU 101.A O no hydrogen 2.822 N/A SER 26.A OG SER 29.A OG no hydrogen 2.718 N/A TYR 27.A N GLU 95.A OE1 no hydrogen 3.131 N/A TYR 27.A N GLU 95.A OE2 no hydrogen 2.996 N/A SER 29.A N SER 26.A OG no hydrogen 3.018 N/A SER 29.A OG SER 26.A O no hydrogen 3.214 N/A SER 29.A OG SER 26.A OG no hydrogen 2.718 N/A SER 29.A OG LEU 101.A O no hydrogen 3.170 N/A LYS 30.A N SER 26.A O no hydrogen 2.885 N/A LYS 30.A NZ TYR 22.A O no hydrogen 3.135 N/A SER 31.A N TYR 27.A O no hydrogen 3.070 N/A SER 31.A N ILE 28.A O no hydrogen 3.213 N/A SER 31.A OG TYR 27.A O no hydrogen 3.125 N/A SER 31.A OG ILE 28.A O no hydrogen 3.002 N/A ASP 32.A N ILE 28.A O no hydrogen 2.707 N/A ASN 33.A N SER 29.A O no hydrogen 3.125 N/A ASN 33.A ND2 SER 29.A O no hydrogen 3.033 N/A GLY 34.A N LYS 30.A O no hydrogen 3.185 N/A MET 38.A N GLY 34.A O no hydrogen 3.259 N/A THR 39.A N GLU 35.A O no hydrogen 2.841 N/A THR 39.A OG1 GLU 35.A O no hydrogen 2.546 N/A GLU 40.A N VAL 36.A O no hydrogen 2.806 N/A ARG 41.A N VAL 36.A O no hydrogen 2.946 N/A ARG 41.A NH1 GLU 37.A OE2 no hydrogen 2.980 N/A ARG 41.A NH2 GLN 116.A O no hydrogen 3.219 N/A ILE 45.A N ARG 41.A O no hydrogen 3.050 N/A TYR 46.A N PRO 42.A O no hydrogen 2.769 N/A TYR 46.A OH ILE 108.A O no hydrogen 2.658 N/A ASN 47.A N ILE 43.A O no hydrogen 2.986 N/A SER 48.A N LYS 44.A O no hydrogen 2.790 N/A LEU 49.A N ILE 45.A O no hydrogen 2.987 N/A GLY 50.A N TYR 46.A O no hydrogen 2.829 N/A VAL 51.A N TYR 46.A O no hydrogen 3.142 N/A LYS 52.A N LYS 78.A O no hydrogen 2.784 N/A ASN 55.A N LYS 76.A O no hydrogen 2.854 N/A ILE 56.A N GLU 14.A OE1 no hydrogen 2.944 N/A GLN 57.A N GLN 74.A O no hydrogen 3.187 N/A ARG 59.A NE ILE 56.A O no hydrogen 2.807 N/A ARG 59.A NH1 ASP 11.A OD1 no hydrogen 2.963 N/A ARG 59.A NH2 ASP 11.A OD1 no hydrogen 2.788 N/A ARG 59.A NH2 ILE 56.A O no hydrogen 3.441 N/A LYS 60.A N ASP 72.A O no hydrogen 2.664 N/A LYS 62.A N ARG 70.A O no hydrogen 2.939 N/A VAL 64.A N LYS 68.A O no hydrogen 3.152 N/A SER 65.A N LYS 68.A O no hydrogen 3.339 N/A ASN 67.A N SER 65.A OG no hydrogen 3.156 N/A LYS 68.A N SER 65.A O no hydrogen 3.331 N/A LYS 69.A N PHE 92.A O no hydrogen 2.990 N/A ARG 70.A N LYS 62.A O no hydrogen 2.826 N/A VAL 71.A N PHE 90.A O no hydrogen 2.728 N/A ASP 72.A N LYS 60.A O no hydrogen 2.654 N/A GLN 74.A N GLN 57.A O no hydrogen 2.723 N/A GLN 74.A NE2 ASP 85.A OD1 no hydrogen 2.604 N/A TYR 75.A N ARG 86.A O no hydrogen 2.830 N/A TYR 75.A OH TYR 46.A OH no hydrogen 2.694 N/A TYR 75.A OH VAL 107.A O no hydrogen 2.665 N/A LYS 76.A N ASN 55.A O no hydrogen 2.798 N/A ILE 77.A N ILE 84.A O no hydrogen 2.797 N/A LYS 78.A N ASP 53.A O no hydrogen 2.790 N/A THR 79.A N GLY 82.A O no hydrogen 3.218 N/A THR 79.A OG1 GLY 82.A O no hydrogen 2.462 N/A ASN 80.A N GLY 50.A O no hydrogen 3.101 N/A ASN 80.A ND2 GLY 50.A O no hydrogen 3.553 N/A GLY 82.A N THR 79.A O no hydrogen 3.226 N/A GLY 82.A N THR 79.A OG1 no hydrogen 3.072 N/A ILE 84.A N ILE 77.A O no hydrogen 2.867 N/A ARG 86.A N TYR 75.A O no hydrogen 3.253 N/A ASN 87.A ND2 ASP 72.A OD2 no hydrogen 2.994 N/A VAL 88.A N ALA 73.A O no hydrogen 2.922 N/A PHE 90.A N VAL 71.A O no hydrogen 2.971 N/A PHE 92.A N LYS 69.A O no hydrogen 2.792 N/A VAL 93.A N LYS 100.A O no hydrogen 2.678 N/A LYS 94.A N ASN 67.A O no hydrogen 3.116 N/A GLU 95.A N MET 98.A O no hydrogen 2.933 N/A MET 98.A N GLU 95.A O no hydrogen 3.267 N/A TRP 99.A N GLU 5.A OE1 no hydrogen 3.471 N/A LYS 100.A N VAL 93.A O no hydrogen 2.631 N/A LYS 100.A NZ LYS 23.A O no hydrogen 2.799 N/A LEU 101.A N ASP 24.A O no hydrogen 3.014 N/A ASP 102.A N ASN 91.A O no hydrogen 2.635 N/A TRP 103.A N SER 29.A OG no hydrogen 3.228 N/A HIS 105.A NE2 GLU 37.A OE2 no hydrogen 3.135 N/A SER 106.A N ASP 104.A OD2 no hydrogen 3.013 N/A SER 106.A OG MET 112.A O no hydrogen 2.740 N/A VAL 107.A N ASP 104.A O no hydrogen 2.981 N/A ILE 108.A N HIS 105.A O no hydrogen 3.023 N/A ILE 109.A N HIS 105.A O no hydrogen 3.197 N/A GLY 111.A N SER 106.A OG no hydrogen 2.961 N/A MET 112.A N ILE 109.A O no hydrogen 2.958 N/A GLN 113.A N GLN 116.A OE1 no hydrogen 2.647 N/A GLN 116.A NE2 ASP 279.A OD1 no hydrogen 3.569 N/A SER 117.A N VAL 278.A O no hydrogen 2.843 N/A SER 117.A OG VAL 278.A O no hydrogen 3.426 N/A SER 117.A OG ASP 280.A OD1 no hydrogen 2.926 N/A HIS 119.A N THR 276.A O no hydrogen 3.014 N/A HIS 119.A ND1 GLU 121.A OE1 no hydrogen 2.805 N/A GLU 121.A N ARG 274.A O no hydrogen 2.680 N/A ASN 122.A ND2 ASP 271.A OD2 no hydrogen 3.095 N/A LEU 123.A N GLY 272.A O no hydrogen 2.793 N/A LYS 124.A NZ SER 125.A O no hydrogen 2.764 N/A SER 125.A N ASP 271.A OD1 no hydrogen 2.712 N/A SER 125.A OG HIS 269.A ND1 no hydrogen 2.752 N/A SER 125.A OG ASP 271.A OD1 no hydrogen 2.803 N/A GLU 126.A N ASP 296.A OD1 no hydrogen 2.779 N/A ARG 127.A NE GLU 260.A OE1 no hydrogen 2.807 N/A ARG 127.A NH1 ASP 264.A OD1 no hydrogen 2.677 N/A ARG 127.A NH2 GLU 260.A OE1 no hydrogen 2.959 N/A ARG 127.A NH2 ASP 264.A OD1 no hydrogen 2.689 N/A GLY 128.A N LEU 267.A O no hydrogen 2.996 N/A LYS 129.A N ASP 299.A OD1 no hydrogen 2.891 N/A LYS 129.A NZ GLU 137.A OE1 no hydrogen 3.486 N/A ILE 130.A N ALA 139.A O no hydrogen 2.793 N/A LEU 131.A N ILE 300.A O no hydrogen 2.593 N/A ASP 132.A N VAL 136.A O no hydrogen 2.772 N/A ARG 133.A N ILE 304.A O no hydrogen 2.855 N/A ARG 133.A NE ILE 639.A O no hydrogen 3.073 N/A ARG 133.A NE ASP 640.A OD2 no hydrogen 3.122 N/A ARG 133.A NH1 THR 303.A O no hydrogen 2.917 N/A ARG 133.A NH1 GLU 332.A OE1 no hydrogen 2.784 N/A ARG 133.A NH2 GLU 332.A OE1 no hydrogen 2.796 N/A ARG 133.A NH2 ASP 640.A OD2 no hydrogen 3.085 N/A ASN 134.A N ASP 132.A OD2 no hydrogen 2.823 N/A ASN 134.A ND2 ILE 639.A O no hydrogen 2.965 N/A ASN 135.A N ASP 132.A O no hydrogen 2.829 N/A VAL 136.A N ASP 132.A OD2 no hydrogen 2.866 N/A LEU 138.A N ILE 130.A O no hydrogen 2.802 N/A ALA 139.A N ILE 130.A O no hydrogen 3.060 N/A ASN 140.A N ASN 218.A O no hydrogen 2.875 N/A ASN 140.A ND2 GLU 137.A OE2 no hydrogen 2.934 N/A GLY 142.A N SER 216.A O no hydrogen 2.721 N/A THR 143.A OG1 GLU 213.A OE1 no hydrogen 3.409 N/A THR 143.A OG1 THR 214.A O no hydrogen 3.136 N/A ALA 144.A N THR 214.A O no hydrogen 2.843 N/A TYR 145.A N VAL 193.A O no hydrogen 2.834 N/A GLU 146.A N ASN 212.A O no hydrogen 2.687 N/A ILE 147.A N LYS 191.A O no hydrogen 2.790 N/A GLY 148.A N THR 210.A O no hydrogen 2.998 N/A ILE 149.A N VAL 188.A O no hydrogen 3.212 N/A LYS 152.A N ASP 184.A O no hydrogen 2.940 N/A LYS 152.A NZ ASN 153.A OD1 no hydrogen 2.845 N/A ASP 158.A N SER 155.A O no hydrogen 2.853 N/A TYR 159.A N LYS 156.A O no hydrogen 3.398 N/A ILE 162.A N ASP 158.A O no hydrogen 3.104 N/A ALA 163.A N TYR 159.A O no hydrogen 2.865 N/A LYS 164.A N LYS 160.A O no hydrogen 2.893 N/A GLU 165.A N ALA 161.A O no hydrogen 2.923 N/A LEU 166.A N ILE 162.A O no hydrogen 3.104 N/A ILE 168.A N ALA 163.A O no hydrogen 2.838 N/A TYR 172.A N SER 169.A OG no hydrogen 3.014 N/A ILE 173.A N SER 169.A O no hydrogen 3.117 N/A LYS 174.A N GLU 170.A O no hydrogen 3.068 N/A GLN 175.A N ASP 171.A O no hydrogen 2.853 N/A GLN 175.A NE2 ASP 171.A OD2 no hydrogen 2.748 N/A GLN 176.A N TYR 172.A O no hydrogen 2.827 N/A MET 177.A N ILE 173.A O no hydrogen 2.796 N/A ASP 178.A N LYS 174.A O no hydrogen 2.828 N/A GLN 179.A NE2 GLN 176.A O no hydrogen 2.604 N/A GLN 179.A NE2 GLN 176.A OE1 no hydrogen 3.700 N/A GLN 183.A N THR 186.A OG1 no hydrogen 3.205 N/A GLN 183.A NE2 ASN 180.A O no hydrogen 3.663 N/A GLN 183.A NE2 TRP 181.A O no hydrogen 3.311 N/A THR 186.A N GLN 183.A O no hydrogen 2.994 N/A VAL 188.A N ILE 149.A O no hydrogen 2.804 N/A LEU 190.A N ILE 147.A O no hydrogen 2.789 N/A LYS 191.A NZ LEU 166.A O no hydrogen 2.961 N/A LYS 191.A NZ GLY 350.A O no hydrogen 3.335 N/A VAL 193.A N TYR 145.A O no hydrogen 2.692 N/A LYS 194.A NZ ARG 217.A O no hydrogen 3.455 N/A LYS 194.A NZ ASN 218.A OD1 no hydrogen 3.064 N/A ASP 197.A N LYS 195.A O no hydrogen 3.216 N/A LEU 200.A N ASP 197.A O no hydrogen 3.435 N/A SER 201.A N ASP 197.A O no hydrogen 3.072 N/A SER 201.A OG ASP 197.A O no hydrogen 2.717 N/A SER 201.A OG GLU 198.A O no hydrogen 3.446 N/A ASP 202.A N GLU 198.A O no hydrogen 3.162 N/A ALA 204.A N LEU 200.A O no hydrogen 2.987 N/A LYS 205.A N SER 201.A O no hydrogen 3.447 N/A LYS 206.A N ASP 202.A O no hydrogen 2.888 N/A HIS 208.A N LYS 205.A O no hydrogen 3.297 N/A LEU 209.A N ALA 204.A O no hydrogen 2.672 N/A THR 210.A N GLY 148.A O no hydrogen 2.863 N/A ASN 212.A N GLU 146.A O no hydrogen 2.910 N/A ASN 212.A ND2 GLU 146.A OE2 no hydrogen 3.169 N/A THR 214.A N ALA 144.A O no hydrogen 2.641 N/A THR 214.A OG1 GLU 215.A O no hydrogen 3.475 N/A SER 216.A N GLY 142.A O no hydrogen 3.052 N/A SER 216.A OG TYR 349.A OH no hydrogen 2.688 N/A ARG 217.A NE GLU 260.A OE2 no hydrogen 2.849 N/A ARG 217.A NH1 GLY 128.A O no hydrogen 2.849 N/A ARG 217.A NH2 GLY 128.A O no hydrogen 2.675 N/A ARG 217.A NH2 GLU 260.A OE1 no hydrogen 3.186 N/A ARG 217.A NH2 GLU 260.A OE2 no hydrogen 3.251 N/A ASN 218.A N ASN 140.A O no hydrogen 2.739 N/A ASN 218.A ND2 ASN 140.A OD1 no hydrogen 3.437 N/A TYR 219.A N TYR 345.A OH no hydrogen 3.160 N/A TYR 219.A OH GLU 260.A OE2 no hydrogen 2.687 N/A GLU 222.A N TYR 219.A O no hydrogen 2.921 N/A ALA 224.A N LEU 221.A O no hydrogen 3.046 N/A THR 225.A OG1 GLU 222.A O no hydrogen 3.470 N/A SER 226.A N LYS 223.A O no hydrogen 3.313 N/A SER 226.A OG LYS 223.A O no hydrogen 3.515 N/A SER 226.A OG TYR 342.A O no hydrogen 2.679 N/A HIS 227.A NE2 PRO 366.A O no hydrogen 2.571 N/A LEU 229.A N THR 225.A O no hydrogen 2.995 N/A GLY 230.A N SER 226.A O no hydrogen 3.021 N/A GLY 233.A N ILE 254.A O no hydrogen 3.029 N/A ILE 235.A N ALA 252.A O no hydrogen 2.837 N/A ASN 236.A N GLU 239.A OE2 no hydrogen 2.744 N/A GLU 239.A N ASN 236.A OD1 no hydrogen 2.790 N/A LEU 240.A N ASN 236.A O no hydrogen 3.039 N/A LYS 241.A NZ GLU 238.A OE1 no hydrogen 2.887 N/A GLN 242.A N GLU 239.A O no hydrogen 2.955 N/A TYR 245.A N GLN 242.A O no hydrogen 3.211 N/A TYR 248.A OH ASP 264.A OD2 no hydrogen 3.028 N/A ALA 252.A N LYS 249.A O no hydrogen 3.332 N/A ILE 254.A N GLY 233.A O no hydrogen 2.958 N/A GLY 255.A N ASP 264.A OD1 no hydrogen 2.820 N/A LYS 256.A N TYR 231.A O no hydrogen 2.757 N/A LYS 256.A NZ PRO 234.A O no hydrogen 2.862 N/A LYS 256.A NZ GLU 239.A OE1 no hydrogen 3.307 N/A LYS 256.A NZ GLU 239.A OE2 no hydrogen 2.644 N/A LEU 259.A N LEU 228.A O no hydrogen 2.820 N/A GLU 260.A N LEU 229.A O no hydrogen 2.846 N/A LYS 261.A N LYS 257.A O no hydrogen 3.222 N/A LYS 261.A N GLY 258.A O no hydrogen 3.216 N/A LEU 262.A N GLY 258.A O no hydrogen 2.991 N/A TYR 263.A N LEU 259.A O no hydrogen 2.796 N/A TYR 263.A OH ASP 471.A O no hydrogen 2.653 N/A ASP 264.A N LYS 261.A O no hydrogen 3.061 N/A LYS 265.A NZ GLU 244.A O no hydrogen 3.040 N/A LEU 267.A N TYR 263.A O no hydrogen 3.224 N/A GLN 268.A N LYS 265.A O no hydrogen 3.388 N/A GLN 268.A NE2 VAL 253.A O no hydrogen 2.936 N/A GLN 268.A NE2 ASP 264.A OD1 no hydrogen 3.326 N/A GLN 268.A NE2 ASP 264.A OD2 no hydrogen 2.813 N/A HIS 269.A N GLN 268.A OE1 no hydrogen 3.347 N/A HIS 269.A ND1 SER 125.A OG no hydrogen 2.752 N/A GLU 270.A N LYS 295.A O no hydrogen 2.926 N/A GLY 272.A N LEU 123.A O no hydrogen 2.765 N/A TYR 273.A N LYS 292.A O no hydrogen 3.036 N/A TYR 273.A OH TYR 81.A O no hydrogen 2.525 N/A ARG 274.A N GLU 121.A O no hydrogen 2.724 N/A VAL 275.A N ILE 290.A O no hydrogen 2.862 N/A THR 276.A N HIS 119.A O no hydrogen 2.853 N/A THR 276.A OG1 HIS 119.A O no hydrogen 3.512 N/A ILE 277.A N HIS 287.A O no hydrogen 2.728 N/A VAL 278.A N SER 117.A O no hydrogen 2.964 N/A ASP 279.A N THR 284.A O no hydrogen 3.050 N/A ASP 280.A N ASP 115.A O no hydrogen 2.848 N/A SER 282.A OG THR 284.A OG1 no hydrogen 3.127 N/A ASN 283.A N ASP 279.A O no hydrogen 3.426 N/A ASN 283.A ND2 ASN 281.A O no hydrogen 2.989 N/A THR 284.A OG1 SER 282.A OG no hydrogen 3.127 N/A ALA 286.A N ILE 277.A O no hydrogen 2.664 N/A HIS 287.A N ILE 277.A O no hydrogen 3.304 N/A ILE 290.A N VAL 275.A O no hydrogen 3.142 N/A LYS 292.A N TYR 273.A O no hydrogen 2.779 N/A LYS 294.A NZ ASP 296.A OD2 no hydrogen 3.540 N/A LYS 295.A N GLU 270.A O no hydrogen 2.868 N/A GLY 297.A N GLU 126.A O no hydrogen 2.757 N/A ILE 300.A N LYS 129.A O no hydrogen 2.987 N/A LEU 302.A N LEU 131.A O no hydrogen 2.816 N/A THR 303.A N LEU 525.A O no hydrogen 2.987 N/A THR 303.A OG1 LEU 333.A O no hydrogen 2.624 N/A THR 303.A OG1 HIS 524.A O no hydrogen 2.941 N/A ASP 305.A N LEU 334.A O no hydrogen 2.791 N/A ALA 306.A N ASP 132.A OD1 no hydrogen 2.782 N/A LYS 307.A N ASP 305.A OD1 no hydrogen 3.061 N/A LYS 307.A NZ ASP 305.A OD1 no hydrogen 3.185 N/A LYS 307.A NZ ASP 305.A OD2 no hydrogen 3.088 N/A LYS 307.A NZ ASP 638.A O no hydrogen 3.330 N/A LYS 307.A NZ GLU 641.A OXT no hydrogen 2.435 N/A GLN 309.A N ASP 305.A O no hydrogen 2.919 N/A GLN 309.A NE2 ALA 224.A O no hydrogen 3.057 N/A GLN 309.A NE2 LEU 336.A O no hydrogen 2.737 N/A LYS 310.A N ALA 306.A O no hydrogen 2.948 N/A SER 311.A N LYS 307.A O no hydrogen 2.969 N/A ILE 312.A N VAL 308.A O no hydrogen 2.910 N/A TYR 313.A N GLN 309.A O no hydrogen 2.949 N/A ASN 314.A N LYS 310.A O no hydrogen 2.727 N/A ASN 315.A N SER 311.A O no hydrogen 3.058 N/A ASN 315.A N ILE 312.A O no hydrogen 3.224 N/A ASN 315.A ND2 SER 311.A O no hydrogen 3.116 N/A ASN 315.A ND2 GLU 628.A OE1 no hydrogen 3.277 N/A MET 316.A N TYR 313.A O no hydrogen 2.832 N/A LYS 317.A N TYR 313.A O no hydrogen 2.627 N/A ASP 319.A N MET 316.A O no hydrogen 2.799 N/A TYR 320.A OH GLU 365.A OE1 no hydrogen 3.403 N/A GLY 321.A N THR 339.A O no hydrogen 2.810 N/A SER 322.A N ASN 607.A O no hydrogen 2.825 N/A GLY 323.A N VAL 337.A O no hydrogen 2.899 N/A THR 324.A N ALA 605.A O no hydrogen 2.896 N/A ALA 325.A N ALA 335.A O no hydrogen 3.153 N/A ILE 326.A N MET 603.A O no hydrogen 2.918 N/A HIS 327.A N GLU 332.A O no hydrogen 2.943 N/A HIS 327.A ND1 ASN 601.A O no hydrogen 2.604 N/A GLN 329.A NE2 PRO 600.A O no hydrogen 2.720 N/A THR 330.A N HIS 327.A O no hydrogen 3.290 N/A THR 330.A OG1 HIS 327.A O no hydrogen 3.492 N/A THR 330.A OG1 GLU 332.A OE2 no hydrogen 2.711 N/A GLY 331.A N HIS 327.A O no hydrogen 2.793 N/A GLU 332.A N THR 330.A OG1 no hydrogen 3.405 N/A LEU 333.A N HIS 524.A O no hydrogen 2.840 N/A LEU 334.A N ALA 325.A O no hydrogen 2.782 N/A ALA 335.A N ALA 325.A O no hydrogen 3.297 N/A LEU 336.A N GLN 309.A OE1 no hydrogen 3.078 N/A VAL 337.A N GLY 323.A O no hydrogen 2.740 N/A SER 338.A OG LEU 368.A O no hydrogen 3.058 N/A THR 339.A N GLY 321.A O no hydrogen 2.832 N/A THR 339.A OG1 MET 316.A O no hydrogen 3.053 N/A THR 339.A OG1 ASP 319.A O no hydrogen 2.785 N/A SER 341.A OG LYS 223.A O no hydrogen 2.756 N/A PHE 347.A N VAL 344.A O no hydrogen 2.830 N/A MET 348.A N VAL 344.A O no hydrogen 3.210 N/A MET 348.A N TYR 345.A O no hydrogen 2.758 N/A TYR 349.A N TYR 345.A O no hydrogen 2.736 N/A TYR 349.A OH SER 216.A OG no hydrogen 2.688 N/A GLY 350.A N PRO 346.A O no hydrogen 2.679 N/A SER 352.A OG GLU 355.A OE1 no hydrogen 3.205 N/A GLU 355.A N SER 352.A OG no hydrogen 3.319 N/A TYR 356.A N SER 352.A O no hydrogen 3.232 N/A ASN 357.A N ASN 353.A O no hydrogen 2.754 N/A ASN 357.A ND2 ASN 353.A O no hydrogen 3.077 N/A LYS 358.A N GLU 354.A O no hydrogen 3.106 N/A LEU 359.A N TYR 356.A O no hydrogen 3.315 N/A THR 360.A N TYR 356.A O no hydrogen 3.147 N/A THR 360.A OG1 TYR 356.A O no hydrogen 3.214 N/A THR 360.A OG1 ASN 357.A O no hydrogen 3.181 N/A GLU 361.A N ASN 357.A O no hydrogen 2.898 N/A LYS 364.A N ASP 362.A OD1 no hydrogen 2.835 N/A LYS 364.A NZ ASN 318.A O no hydrogen 2.772 N/A GLU 365.A N ASP 362.A O no hydrogen 3.183 N/A LEU 368.A N GLU 365.A O no hydrogen 3.376 N/A ASN 369.A ND2 HIS 227.A O no hydrogen 3.622 N/A LYS 370.A N SER 338.A OG no hydrogen 2.756 N/A LYS 370.A NZ THR 339.A O no hydrogen 2.964 N/A LYS 370.A NZ LYS 364.A O no hydrogen 2.821 N/A LYS 370.A NZ GLU 365.A O no hydrogen 2.913 N/A GLN 372.A N ASN 369.A O no hydrogen 3.342 N/A GLN 372.A NE2 PRO 473.A O no hydrogen 2.906 N/A THR 375.A N ILE 502.A O no hydrogen 2.768 N/A SER 379.A OG TYR 495.A O no hydrogen 3.374 N/A THR 380.A N PRO 377.A O no hydrogen 3.085 N/A THR 380.A OG1 PRO 377.A O no hydrogen 2.588 N/A GLN 381.A N GLY 378.A O no hydrogen 3.290 N/A GLN 381.A NE2 THR 385.A OG1 no hydrogen 3.027 N/A LYS 382.A N SER 379.A O no hydrogen 3.048 N/A LYS 382.A NZ SER 379.A OG no hydrogen 3.091 N/A LYS 382.A NZ SER 438.A O no hydrogen 3.174 N/A LYS 382.A NZ SER 438.A OG no hydrogen 2.943 N/A ILE 383.A N THR 380.A O no hydrogen 3.226 N/A THR 385.A N GLN 381.A O no hydrogen 3.013 N/A THR 385.A OG1 GLN 381.A O no hydrogen 3.272 N/A THR 385.A OG1 GLY 494.A O no hydrogen 2.626 N/A ALA 386.A N LYS 382.A O no hydrogen 3.053 N/A MET 387.A N ILE 383.A O no hydrogen 2.986 N/A ILE 388.A N LEU 384.A O no hydrogen 3.286 N/A GLY 389.A N THR 385.A O no hydrogen 3.123 N/A LEU 390.A N ALA 386.A O no hydrogen 2.925 N/A ASN 391.A N MET 387.A O no hydrogen 3.181 N/A ASN 392.A N ILE 388.A O no hydrogen 2.968 N/A ASN 392.A ND2 ILE 388.A O no hydrogen 3.372 N/A LYS 393.A N LEU 390.A O no hydrogen 3.282 N/A LEU 395.A N GLY 389.A O no hydrogen 3.174 N/A ASP 396.A N THR 399.A OG1 no hydrogen 2.995 N/A THR 399.A N ASP 396.A O no hydrogen 2.903 N/A THR 399.A OG1 ASP 396.A O no hydrogen 3.033 N/A THR 399.A OG1 ASP 396.A OD2 no hydrogen 2.962 N/A TYR 401.A N ILE 429.A O no hydrogen 2.803 N/A ILE 403.A N GLY 427.A O no hydrogen 2.783 N/A GLY 405.A N ASN 426.A OD1 no hydrogen 2.701 N/A TRP 408.A N VAL 419.A O no hydrogen 3.004 N/A LYS 410.A NZ GLU 487.A OE1 no hydrogen 3.162 N/A SER 413.A OG ASP 411.A OD2 no hydrogen 2.461 N/A TRP 414.A N ASP 411.A O no hydrogen 3.341 N/A GLY 415.A N LYS 412.A O no hydrogen 2.812 N/A TYR 417.A N TRP 414.A O no hydrogen 3.049 N/A TYR 417.A OH ASP 492.A OD1 no hydrogen 2.576 N/A TYR 417.A OH TYR 495.A OH no hydrogen 3.204 N/A VAL 419.A N TRP 408.A O no hydrogen 2.656 N/A ARG 421.A N LYS 406.A O no hydrogen 2.809 N/A ARG 421.A NE GLY 405.A O no hydrogen 2.815 N/A ARG 421.A NH1 VAL 425.A O no hydrogen 2.693 N/A ARG 421.A NH1 ASP 439.A OD2 no hydrogen 3.120 N/A ARG 421.A NH2 ILE 403.A O no hydrogen 2.898 N/A ARG 421.A NH2 GLY 405.A O no hydrogen 3.277 N/A GLY 427.A N ILE 403.A O no hydrogen 3.067 N/A ILE 429.A N TYR 401.A O no hydrogen 2.788 N/A LYS 432.A NZ GLN 553.A OE1 no hydrogen 3.553 N/A GLN 433.A N ASP 430.A OD1 no hydrogen 2.965 N/A GLN 433.A NE2 GLN 433.A O no hydrogen 2.899 N/A GLN 433.A NE2 SER 437.A OG no hydrogen 2.817 N/A ALA 434.A N ASP 430.A O no hydrogen 2.983 N/A ILE 435.A N LEU 431.A O no hydrogen 2.815 N/A GLU 436.A N LYS 432.A O no hydrogen 3.143 N/A SER 437.A N GLN 433.A O no hydrogen 2.827 N/A SER 437.A OG GLN 433.A O no hydrogen 3.059 N/A ASP 439.A N ALA 434.A O no hydrogen 2.982 N/A PHE 442.A N ASP 439.A OD1 no hydrogen 2.986 N/A PHE 443.A N ASP 439.A O no hydrogen 3.216 N/A ALA 444.A N ASN 440.A O no hydrogen 2.786 N/A ARG 445.A N ILE 441.A O no hydrogen 2.887 N/A ARG 445.A NH1 LYS 402.A O no hydrogen 3.270 N/A VAL 446.A N PHE 442.A O no hydrogen 2.918 N/A ALA 447.A N PHE 443.A O no hydrogen 3.040 N/A LEU 448.A N ALA 444.A O no hydrogen 2.977 N/A GLU 449.A N ARG 445.A O no hydrogen 3.065 N/A LEU 450.A N ALA 447.A O no hydrogen 3.259 N/A GLY 451.A N ALA 447.A O no hydrogen 3.304 N/A PHE 455.A N GLY 451.A O no hydrogen 3.013 N/A GLU 456.A N SER 452.A O no hydrogen 2.995 N/A LYS 457.A N LYS 453.A O no hydrogen 2.989 N/A GLY 458.A N LYS 454.A O no hydrogen 2.871 N/A MET 459.A N PHE 455.A O no hydrogen 2.765 N/A LYS 460.A N GLU 456.A O no hydrogen 3.086 N/A LYS 461.A N LYS 457.A O no hydrogen 2.781 N/A LYS 461.A NZ ASN 537.A O no hydrogen 3.252 N/A LEU 462.A N GLY 458.A O no hydrogen 3.210 N/A GLY 463.A N LYS 460.A O no hydrogen 3.000 N/A VAL 464.A N MET 459.A O no hydrogen 3.039 N/A GLU 466.A N GLY 463.A O no hydrogen 3.392 N/A SER 470.A N ILE 468.A O no hydrogen 2.690 N/A SER 470.A OG PRO 523.A O no hydrogen 2.812 N/A TYR 472.A N SER 470.A OG no hydrogen 3.387 N/A TYR 475.A N GLN 372.A O no hydrogen 2.862 N/A GLN 478.A N LEU 501.A O no hydrogen 3.017 N/A GLN 478.A NE2 GLU 499.A O no hydrogen 2.710 N/A SER 480.A OG LYS 482.A O no hydrogen 3.272 N/A ASN 481.A N GLU 499.A OE2 no hydrogen 3.116 N/A LEU 490.A N ASN 486.A O no hydrogen 3.117 N/A ALA 491.A N GLU 487.A O no hydrogen 2.993 N/A ASP 492.A N ILE 488.A O no hydrogen 2.835 N/A SER 493.A N LEU 489.A O no hydrogen 2.739 N/A SER 493.A OG LEU 489.A O no hydrogen 2.760 N/A GLY 494.A N LEU 490.A O no hydrogen 3.101 N/A TYR 495.A OH ASP 492.A OD1 no hydrogen 2.948 N/A TYR 495.A OH GLN 497.A OE1 no hydrogen 3.125 N/A GLY 496.A N SER 493.A O no hydrogen 2.830 N/A LEU 501.A N GLN 478.A O no hydrogen 3.179 N/A ILE 502.A N THR 375.A O no hydrogen 2.816 N/A ASN 503.A ND2 PHE 371.A O no hydrogen 2.765 N/A ASN 503.A ND2 ILE 373.A O no hydrogen 2.996 N/A GLN 506.A N ASN 503.A O no hydrogen 2.906 N/A ILE 507.A N ASN 503.A O no hydrogen 3.365 N/A LEU 508.A N PRO 504.A O no hydrogen 2.793 N/A SER 509.A N VAL 505.A O no hydrogen 2.680 N/A SER 509.A OG VAL 505.A O no hydrogen 2.912 N/A ILE 510.A N GLN 506.A O no hydrogen 2.815 N/A TYR 511.A N ILE 507.A O no hydrogen 2.811 N/A TYR 511.A OH THR 380.A O no hydrogen 2.972 N/A SER 512.A N LEU 508.A O no hydrogen 2.891 N/A SER 512.A OG LEU 508.A O no hydrogen 2.924 N/A LEU 514.A N TYR 511.A O no hydrogen 3.039 N/A GLU 515.A N SER 512.A O no hydrogen 2.717 N/A ASN 516.A N ALA 513.A O no hydrogen 3.395 N/A ASN 516.A ND2 ASN 519.A O no hydrogen 2.921 N/A ASN 516.A ND2 ASN 521.A OD1 no hydrogen 3.192 N/A GLY 518.A N ALA 513.A O no hydrogen 2.711 N/A ASN 519.A N ASN 516.A O no hydrogen 2.989 N/A ASN 519.A ND2 ASN 516.A O no hydrogen 3.670 N/A ILE 520.A N LYS 535.A O no hydrogen 2.704 N/A ASN 521.A ND2 THR 330.A O no hydrogen 3.131 N/A ALA 522.A N LYS 532.A O no hydrogen 2.965 N/A HIS 524.A N GLY 331.A O no hydrogen 2.993 N/A HIS 524.A ND1 ALA 522.A O no hydrogen 2.982 N/A LEU 525.A N ASP 471.A OD1 no hydrogen 3.272 N/A LEU 525.A N ASP 471.A OD2 no hydrogen 2.708 N/A LEU 526.A N ASP 471.A OD1 no hydrogen 2.721 N/A LYS 527.A N GLN 301.A O no hydrogen 2.995 N/A LYS 527.A NZ LYS 527.A O no hydrogen 3.301 N/A THR 529.A N LEU 526.A O no hydrogen 3.227 N/A THR 529.A OG1 ASP 471.A OD1 no hydrogen 2.563 N/A THR 529.A OG1 LEU 526.A O no hydrogen 3.380 N/A LYS 532.A NZ VAL 533.A O no hydrogen 3.141 N/A TRP 534.A N ILE 520.A O no hydrogen 2.819 N/A LYS 535.A N ILE 520.A O no hydrogen 2.845 N/A LYS 535.A NZ GLU 466.A OE1 no hydrogen 3.003 N/A ASN 537.A N ASN 519.A OD1 no hydrogen 3.185 N/A ILE 538.A N GLY 518.A O no hydrogen 2.808 N/A GLU 542.A N GLU 542.A OE1 no hydrogen 2.976 N/A ILE 544.A N SER 540.A O no hydrogen 2.945 N/A ASN 545.A N LYS 541.A O no hydrogen 3.268 N/A LEU 546.A N GLU 542.A O no hydrogen 3.318 N/A LEU 547.A N ASN 543.A O no hydrogen 3.071 N/A THR 548.A N ILE 544.A O no hydrogen 2.905 N/A THR 548.A OG1 ASN 545.A O no hydrogen 3.249 N/A ASP 549.A N ASN 545.A O no hydrogen 2.941 N/A GLY 550.A N LEU 546.A O no hydrogen 3.409 N/A MET 551.A N LEU 547.A O no hydrogen 2.980 N/A GLN 552.A N THR 548.A O no hydrogen 2.835 N/A GLN 552.A NE2 GLN 553.A OE1 no hydrogen 3.646 N/A VAL 554.A N MET 551.A O no hydrogen 3.203 N/A ASN 556.A N GLN 552.A O no hydrogen 2.852 N/A LYS 557.A N GLN 553.A O no hydrogen 2.897 N/A THR 558.A OG1 GLU 436.A O no hydrogen 2.875 N/A HIS 559.A N VAL 554.A O no hydrogen 2.807 N/A LYS 560.A N LYS 557.A O no hydrogen 3.185 N/A ASP 562.A N HIS 559.A O no hydrogen 3.314 N/A ILE 563.A N HIS 559.A O no hydrogen 3.119 N/A TYR 564.A N LYS 560.A O no hydrogen 3.228 N/A ARG 565.A NE ASP 627.A OD1 no hydrogen 2.984 N/A ARG 565.A NE ASP 627.A OD2 no hydrogen 3.312 N/A ARG 565.A NH1 ASP 562.A O no hydrogen 3.090 N/A ARG 565.A NH1 TYR 564.A O no hydrogen 2.937 N/A ARG 565.A NH2 ASP 627.A OD2 no hydrogen 3.027 N/A TYR 567.A OH ASP 627.A OD1 no hydrogen 2.686 N/A ASN 569.A N ASP 596.A OD2 no hydrogen 2.714 N/A ILE 571.A N TYR 595.A O no hydrogen 2.806 N/A GLY 572.A N MET 551.A O no hydrogen 3.195 N/A LYS 573.A N ILE 593.A O no hydrogen 2.878 N/A LYS 573.A NZ SER 438.A OG no hydrogen 2.874 N/A LYS 573.A NZ SER 574.A O no hydrogen 2.812 N/A GLY 575.A N TRP 591.A O no hydrogen 2.816 N/A LYS 582.A N LYS 580.A O no hydrogen 2.669 N/A GLN 588.A NE2 ALA 577.A O no hydrogen 3.556 N/A GLY 590.A N VAL 608.A O no hydrogen 2.927 N/A TRP 591.A N GLY 575.A O no hydrogen 2.993 N/A TRP 591.A NE1 SER 376.A O no hydrogen 2.856 N/A PHE 592.A N ILE 606.A O no hydrogen 2.859 N/A ILE 593.A N LYS 573.A O no hydrogen 3.032 N/A SER 594.A N MET 604.A O no hydrogen 2.790 N/A SER 594.A OG TYR 626.A OH no hydrogen 2.547 N/A TYR 595.A N ILE 571.A O no hydrogen 3.073 N/A TYR 595.A OH GLU 515.A OE1 no hydrogen 3.015 N/A LYS 597.A N ASN 569.A O no hydrogen 2.712 N/A LYS 597.A NZ GLU 515.A OE1 no hydrogen 3.483 N/A ASP 598.A N ASP 596.A OD2 no hydrogen 2.947 N/A ASN 599.A N ASP 596.A O no hydrogen 2.933 N/A ASN 599.A ND2 TYR 630.A OH no hydrogen 2.950 N/A ASN 599.A ND2 TYR 637.A O no hydrogen 3.086 N/A ASN 601.A ND2 TYR 637.A O no hydrogen 2.753 N/A MET 603.A N ILE 326.A O no hydrogen 2.866 N/A MET 604.A N SER 594.A O no hydrogen 2.937 N/A ALA 605.A N THR 324.A O no hydrogen 2.809 N/A ILE 606.A N PHE 592.A O no hydrogen 2.988 N/A ASN 607.A N SER 322.A O no hydrogen 3.075 N/A ASN 607.A ND2 GLY 590.A O no hydrogen 3.056 N/A VAL 608.A N GLY 590.A O no hydrogen 3.228 N/A LYS 609.A N TYR 320.A O no hydrogen 2.849 N/A LYS 609.A NZ LYS 363.A O no hydrogen 3.539 N/A ASP 610.A N GLN 588.A O no hydrogen 2.815 N/A SER 616.A OG ASP 562.A OD2 no hydrogen 3.493 N/A TYR 617.A OH ASP 319.A OD1 no hydrogen 3.110 N/A TYR 617.A OH ASP 319.A OD2 no hydrogen 3.029 N/A ASN 618.A ND2 MET 614.A O no hydrogen 3.329 N/A ALA 619.A N ALA 615.A O no hydrogen 2.834 N/A LYS 620.A N SER 616.A O no hydrogen 2.624 N/A LYS 620.A NZ GLU 561.A O no hydrogen 3.256 N/A ILE 621.A N TYR 617.A O no hydrogen 3.099 N/A SER 622.A N ASN 618.A O no hydrogen 3.077 N/A SER 622.A OG ASN 618.A O no hydrogen 3.159 N/A GLY 623.A N ALA 619.A O no hydrogen 2.964 N/A LYS 624.A N LYS 620.A O no hydrogen 3.013 N/A VAL 625.A N ILE 621.A O no hydrogen 2.838 N/A TYR 626.A N SER 622.A O no hydrogen 3.033 N/A TYR 626.A OH SER 594.A OG no hydrogen 2.547 N/A ASP 627.A N GLY 623.A O no hydrogen 2.858 N/A GLU 628.A N LYS 624.A O no hydrogen 3.234 N/A LEU 629.A N VAL 625.A O no hydrogen 2.977 N/A TYR 630.A N TYR 626.A O no hydrogen 2.676 N/A TYR 630.A OH ASP 596.A OD1 no hydrogen 2.732 N/A GLU 631.A N GLU 628.A O no hydrogen 3.199 N/A ASN 632.A N ASP 627.A O no hydrogen 2.653 N/A GLY 633.A N TYR 630.A O no hydrogen 2.846 N/A ASN 634.A N GLU 631.A O no hydrogen 3.023 N/A ASN 634.A ND2 GLU 631.A O no hydrogen 3.039 N/A LYS 635.A N TYR 630.A O no hydrogen 3.257 N/A LYS 635.A NZ LEU 629.A O no hydrogen 3.212 N/A LYS 635.A NZ GLU 641.A OE1 no hydrogen 3.141 N/A LYS 636.A NZ TYR 567.A O no hydrogen 3.122 N/A LYS 636.A NZ ASP 596.A OD1 no hydrogen 3.289 N/A TYR 637.A OH ASP 305.A OD2 no hydrogen 2.697 N/A ASP 640.A N ASP 638.A OD1 no hydrogen 3.400 N/A