Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jkl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A OH GLU 337.A OE2 no hydrogen 3.003 N/A THR 9.A N ARG 12.A O no hydrogen 3.068 N/A THR 9.A OG1 THR 11.A OG1 no hydrogen 3.262 N/A THR 9.A OG1 VAL 265.A O no hydrogen 3.190 N/A THR 11.A N THR 9.A OG1 no hydrogen 3.275 N/A THR 11.A OG1 THR 9.A OG1 no hydrogen 3.262 N/A THR 11.A OG1 ASP 264.A OD1 no hydrogen 2.620 N/A ARG 12.A N THR 9.A O no hydrogen 3.203 N/A ARG 12.A NH1 ILE 183.A O no hydrogen 3.567 N/A ARG 12.A NH1 ASP 264.A OD1 no hydrogen 3.435 N/A ASN 13.A N ILE 177.A O no hydrogen 2.908 N/A THR 14.A OG1 LEU 7.A O no hydrogen 2.648 N/A TYR 15.A N LEU 175.A O no hydrogen 2.869 N/A LEU 17.A N LEU 173.A O no hydrogen 2.904 N/A GLY 18.A N ASP 16.A OD1 no hydrogen 2.752 N/A GLY 19.A N ILE 42.A O no hydrogen 2.899 N/A TRP 21.A N MET 40.A O no hydrogen 2.863 N/A TRP 21.A NE1 LEU 17.A O no hydrogen 3.050 N/A ASN 22.A N GLU 65.A O no hydrogen 2.844 N/A PHE 23.A N GLU 38.A O no hydrogen 2.698 N/A LYS 24.A N TRP 63.A O no hydrogen 3.169 N/A LYS 24.A NZ GLU 27.A O no hydrogen 2.801 N/A GLY 26.A N ASP 61.A O no hydrogen 3.077 N/A HIS 28.A NE2 GLU 65.A OE2 no hydrogen 3.027 N/A ASN 31.A N ASN 29.A OD1 no hydrogen 3.099 N/A GLU 32.A N ASN 29.A O no hydrogen 2.677 N/A LEU 34.A N GLU 65.A OE1 no hydrogen 2.768 N/A SER 36.A OG ASN 22.A OD1 no hydrogen 2.821 N/A MET 40.A N TRP 21.A O no hydrogen 2.866 N/A ILE 42.A N GLY 19.A O no hydrogen 2.872 N/A THR 44.A N VAL 169.A O no hydrogen 2.912 N/A THR 44.A OG1 SER 45.A O no hydrogen 2.988 N/A THR 44.A OG1 ASN 303.A O no hydrogen 3.406 N/A SER 45.A N ASN 303.A O no hydrogen 3.078 N/A SER 45.A OG HIS 170.A NE2 no hydrogen 2.873 N/A SER 45.A OG ASN 303.A O no hydrogen 3.211 N/A PHE 46.A N ALA 167.A O no hydrogen 3.027 N/A ASN 47.A ND2 ARG 56.A O no hydrogen 3.137 N/A LEU 49.A N PHE 46.A O no hydrogen 3.150 N/A MET 50.A N ASN 47.A O no hydrogen 3.000 N/A LYS 53.A NZ ASP 57.A OD2 no hydrogen 2.681 N/A ARG 56.A N SER 52.A O no hydrogen 3.159 N/A ARG 56.A NE ASP 48.A OD1 no hydrogen 3.001 N/A ARG 56.A NH2 ASP 48.A OD1 no hydrogen 3.040 N/A ARG 56.A NH2 GLU 543.A OE2 no hydrogen 3.217 N/A ASP 57.A N LYS 53.A O no hydrogen 2.833 N/A TYR 58.A N LYS 55.A O no hydrogen 3.357 N/A TYR 58.A OH ASP 61.A O no hydrogen 2.550 N/A GLY 60.A N ASN 131.A OD1 no hydrogen 2.836 N/A PHE 62.A N ALA 129.A O no hydrogen 2.902 N/A TRP 63.A N LYS 24.A O no hydrogen 2.822 N/A TYR 64.A N ILE 127.A O no hydrogen 2.924 N/A GLU 65.A N ASN 22.A O no hydrogen 2.848 N/A LYS 66.A N VAL 125.A O no hydrogen 3.231 N/A LYS 66.A NZ ILE 20.A O no hydrogen 3.393 N/A ILE 68.A N ILE 123.A O no hydrogen 2.798 N/A VAL 70.A N GLU 121.A O no hydrogen 3.083 N/A SER 74.A N GLU 77.A OE1 no hydrogen 2.965 N/A GLU 77.A N SER 74.A O no hydrogen 3.218 N/A GLU 78.A N ARG 178.A O no hydrogen 2.746 N/A MET 79.A N TYR 118.A OH no hydrogen 2.820 N/A VAL 80.A N MET 176.A O no hydrogen 2.945 N/A LEU 81.A N VAL 111.A O no hydrogen 2.665 N/A ARG 82.A N LYS 174.A O no hydrogen 2.724 N/A ARG 82.A NH1 GLU 336.A OE1 no hydrogen 2.670 N/A ARG 82.A NH2 ALA 2.A O no hydrogen 3.113 N/A ARG 82.A NH2 GLU 336.A OE1 no hydrogen 3.078 N/A ARG 82.A NH2 GLU 336.A OE2 no hydrogen 2.936 N/A PHE 83.A N PHE 109.A O no hydrogen 2.947 N/A GLY 84.A N PRO 172.A O no hydrogen 3.084 N/A THR 87.A N GLY 168.A O no hydrogen 3.091 N/A THR 87.A OG1 GLY 105.A O no hydrogen 2.710 N/A THR 87.A OG1 HIS 170.A ND1 no hydrogen 2.915 N/A HIS 88.A N ASN 130.A O no hydrogen 2.721 N/A HIS 88.A NE2 ASN 165.A OD1 no hydrogen 2.779 N/A GLN 89.A N ASN 130.A O no hydrogen 2.873 N/A GLN 89.A NE2 ASN 130.A OD1 no hydrogen 3.309 N/A GLN 89.A NE2 VAL 132.A O no hydrogen 3.227 N/A ALA 90.A N HIS 102.A O no hydrogen 3.036 N/A LYS 91.A N CYS 128.A O no hydrogen 3.062 N/A ILE 92.A N GLY 100.A O no hydrogen 2.802 N/A TYR 93.A N SER 126.A O no hydrogen 2.739 N/A VAL 94.A N VAL 97.A O no hydrogen 3.044 N/A ASP 95.A N LYS 124.A O no hydrogen 2.805 N/A VAL 97.A N VAL 94.A O no hydrogen 3.173 N/A VAL 99.A N ILE 92.A O no hydrogen 2.993 N/A HIS 102.A N ALA 90.A O no hydrogen 3.035 N/A HIS 102.A NE2 GLU 380.A OE1 no hydrogen 2.778 N/A LYS 103.A NZ THR 136.A O no hydrogen 3.172 N/A LYS 103.A NZ THR 136.A OG1 no hydrogen 3.084 N/A GLY 104.A N HIS 88.A O no hydrogen 3.099 N/A THR 107.A OG1 GLU 380.A OE2 no hydrogen 2.694 N/A PHE 109.A N PHE 83.A O no hydrogen 3.090 N/A VAL 111.A N LEU 81.A O no hydrogen 2.783 N/A VAL 113.A N MET 79.A O no hydrogen 2.786 N/A LYS 117.A N PRO 114.A O no hydrogen 3.130 N/A TYR 118.A N GLU 115.A O no hydrogen 3.247 N/A TYR 118.A OH VAL 113.A O no hydrogen 2.681 N/A ASN 120.A N LYS 117.A O no hydrogen 3.055 N/A LYS 122.A NZ GLU 121.A OE1 no hydrogen 3.124 N/A ILE 123.A N ILE 68.A O no hydrogen 2.947 N/A LYS 124.A N ASP 95.A OD1 no hydrogen 2.798 N/A LYS 124.A NZ PRO 30.A O no hydrogen 2.566 N/A LYS 124.A NZ GLU 32.A O no hydrogen 2.687 N/A LYS 124.A NZ GLU 65.A OE2 no hydrogen 3.450 N/A VAL 125.A N LYS 66.A O no hydrogen 3.107 N/A SER 126.A N TYR 93.A O no hydrogen 2.790 N/A SER 126.A OG GLU 65.A OE2 no hydrogen 2.574 N/A ILE 127.A N TYR 64.A O no hydrogen 2.733 N/A CYS 128.A N LYS 91.A O no hydrogen 2.868 N/A ALA 129.A N PHE 62.A O no hydrogen 2.921 N/A ASN 130.A N GLN 89.A O no hydrogen 2.889 N/A ASN 130.A ND2 ASP 61.A OD1 no hydrogen 2.715 N/A ASN 131.A ND2 TYR 58.A O no hydrogen 2.861 N/A VAL 132.A N ASN 130.A OD1 no hydrogen 2.979 N/A ASP 134.A N THR 137.A OG1 no hydrogen 2.933 N/A TYR 135.A OH ASN 142.A OD1 no hydrogen 2.780 N/A THR 136.A N ASP 134.A OD1 no hydrogen 2.772 N/A THR 136.A OG1 ASP 134.A OD1 no hydrogen 2.647 N/A THR 137.A OG1 ASP 134.A O no hydrogen 3.190 N/A THR 137.A OG1 PRO 139.A O no hydrogen 2.925 N/A VAL 140.A N VAL 356.A O no hydrogen 3.159 N/A GLY 141.A N ASP 134.A O no hydrogen 3.124 N/A ASN 142.A N ARG 158.A O no hydrogen 2.656 N/A ASN 142.A ND2 ARG 158.A O no hydrogen 2.773 N/A ASN 142.A ND2 ASN 160.A OD1 no hydrogen 3.074 N/A ASN 142.A ND2 ASN 361.A OD1 no hydrogen 3.339 N/A TYR 143.A OH GLU 145.A OE2 no hydrogen 2.469 N/A SER 144.A N LYS 156.A O no hydrogen 3.147 N/A ILE 146.A N LYS 154.A O no hydrogen 3.170 N/A GLN 148.A N SER 152.A O no hydrogen 3.344 N/A GLN 148.A NE2 SER 152.A OG no hydrogen 3.022 N/A LYS 154.A N ILE 146.A O no hydrogen 3.127 N/A LYS 156.A N SER 144.A O no hydrogen 3.043 N/A ARG 158.A N ASN 142.A O no hydrogen 2.840 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.723 N/A ASN 160.A N VAL 140.A O no hydrogen 3.235 N/A ASN 160.A ND2 GLY 357.A O no hydrogen 2.670 N/A ASN 160.A ND2 PHE 359.A O no hydrogen 2.689 N/A PHE 164.A N GLU 543.A O no hydrogen 2.951 N/A ASN 165.A ND2 ASN 131.A O no hydrogen 3.348 N/A TYR 166.A N PHE 164.A O no hydrogen 2.743 N/A TYR 166.A OH ASP 48.A OD1 no hydrogen 3.255 N/A TYR 166.A OH ASP 48.A OD2 no hydrogen 2.745 N/A ALA 167.A N ASN 47.A OD1 no hydrogen 2.905 N/A GLY 168.A N THR 87.A O no hydrogen 3.404 N/A ARG 171.A NH1 GLU 298.A OE1 no hydrogen 2.940 N/A ARG 171.A NH1 PRO 333.A O no hydrogen 2.628 N/A ARG 171.A NH2 PHE 106.A O no hydrogen 2.942 N/A LYS 174.A N ARG 82.A O no hydrogen 2.812 N/A LYS 174.A NZ ASP 16.A OD2 no hydrogen 2.837 N/A LEU 175.A N TYR 15.A O no hydrogen 2.741 N/A MET 176.A N VAL 80.A O no hydrogen 2.855 N/A ILE 177.A N ASN 13.A O no hydrogen 2.809 N/A ARG 178.A N GLU 78.A O no hydrogen 3.067 N/A ARG 178.A NE GLU 78.A OE1 no hydrogen 2.615 N/A ARG 178.A NH1 GLU 110.A OE1 no hydrogen 2.929 N/A ARG 178.A NH1 GLU 110.A OE2 no hydrogen 2.956 N/A ARG 178.A NH2 GLU 78.A OE1 no hydrogen 3.037 N/A ARG 178.A NH2 GLU 110.A OE2 no hydrogen 2.588 N/A LYS 180.A N ASP 76.A O no hydrogen 2.824 N/A LYS 180.A NZ GLU 75.A O no hydrogen 2.848 N/A LYS 180.A NZ GLU 115.A OE2 no hydrogen 2.780 N/A ASN 181.A ND2 LYS 210.A O no hydrogen 3.223 N/A HIS 182.A N ASN 208.A OD1 no hydrogen 2.866 N/A HIS 182.A ND1 PRO 179.A O no hydrogen 2.917 N/A HIS 182.A ND1 LYS 180.A O no hydrogen 3.168 N/A ILE 183.A N ASP 264.A OD2 no hydrogen 2.940 N/A PHE 184.A N GLU 206.A O no hydrogen 2.983 N/A THR 187.A N LEU 204.A O no hydrogen 2.993 N/A ILE 188.A N ASN 387.A OD1 no hydrogen 3.091 N/A THR 189.A N HIS 202.A O no hydrogen 3.059 N/A ARG 191.A N ASP 200.A O no hydrogen 3.002 N/A SER 193.A N SER 198.A O no hydrogen 2.939 N/A SER 193.A OG ASP 195.A OD1 no hydrogen 2.488 N/A SER 193.A OG SER 198.A O no hydrogen 3.197 N/A LEU 196.A N SER 193.A O no hydrogen 3.115 N/A GLN 197.A N SER 193.A OG no hydrogen 3.145 N/A GLN 197.A N ASP 195.A OD1 no hydrogen 3.078 N/A SER 198.A N SER 193.A OG no hydrogen 2.901 N/A ALA 199.A N LEU 236.A O no hydrogen 3.050 N/A ASP 200.A N ARG 191.A O no hydrogen 2.920 N/A LEU 201.A N LEU 234.A O no hydrogen 2.797 N/A HIS 202.A N THR 189.A O no hydrogen 2.909 N/A HIS 202.A NE2 ASP 200.A OD2 no hydrogen 2.912 N/A PHE 203.A N SER 232.A O no hydrogen 2.870 N/A LEU 204.A N THR 187.A O no hydrogen 2.922 N/A GLU 206.A N ASP 185.A O no hydrogen 2.936 N/A THR 207.A OG1 GLN 209.A O no hydrogen 2.620 N/A ASN 208.A N ASN 208.A OD1 no hydrogen 2.561 N/A ASN 208.A ND2 LYS 180.A O no hydrogen 2.397 N/A GLN 209.A N ASN 181.A OD1 no hydrogen 3.136 N/A ASP 212.A N PHE 257.A O no hydrogen 2.979 N/A GLU 213.A N PHE 257.A O no hydrogen 3.332 N/A ARG 215.A N GLU 255.A O no hydrogen 2.820 N/A ARG 215.A NE THR 229.A O no hydrogen 3.668 N/A ILE 216.A N THR 229.A O no hydrogen 2.958 N/A SER 217.A N ARG 253.A O no hydrogen 2.942 N/A VAL 218.A N GLY 227.A O no hydrogen 2.876 N/A PHE 219.A N THR 251.A O no hydrogen 2.989 N/A ASP 220.A N LYS 224.A O no hydrogen 3.069 N/A GLU 221.A N TYR 248.A OH no hydrogen 3.322 N/A ASP 222.A N ASP 220.A OD1 no hydrogen 2.972 N/A ASN 223.A N ASP 220.A O no hydrogen 2.892 N/A LYS 224.A N ASP 220.A OD1 no hydrogen 2.951 N/A VAL 226.A N VAL 218.A O no hydrogen 2.884 N/A THR 229.A N ILE 216.A O no hydrogen 3.094 N/A THR 229.A OG1 ARG 233.A O no hydrogen 3.048 N/A ASP 231.A N THR 229.A OG1 no hydrogen 2.830 N/A ARG 233.A NE ASP 200.A OD1 no hydrogen 3.145 N/A ARG 233.A NE ASP 200.A OD2 no hydrogen 3.235 N/A ARG 233.A NH2 ASP 200.A OD2 no hydrogen 2.629 N/A LEU 234.A N LEU 201.A O no hydrogen 3.084 N/A LEU 236.A N ALA 199.A O no hydrogen 2.926 N/A VAL 239.A N GLN 197.A O no hydrogen 3.072 N/A HIS 240.A N TYR 250.A OH no hydrogen 2.845 N/A TRP 242.A N LEU 272.A O no hydrogen 2.686 N/A TRP 242.A NE1 ASP 343.A O no hydrogen 2.926 N/A GLU 243.A N ASN 246.A O no hydrogen 3.051 N/A LEU 245.A N GLY 346.A O no hydrogen 2.697 N/A ASN 246.A N GLU 243.A O no hydrogen 3.015 N/A LEU 249.A N GLU 221.A OE1 no hydrogen 2.793 N/A TYR 250.A N PHE 270.A O no hydrogen 2.774 N/A THR 251.A N PHE 219.A O no hydrogen 2.935 N/A THR 251.A OG1 ASN 269.A OD1 no hydrogen 3.155 N/A ALA 252.A N GLU 268.A O no hydrogen 2.743 N/A ARG 253.A N SER 217.A O no hydrogen 2.787 N/A ARG 253.A NH1 GLU 267.A OE2 no hydrogen 2.974 N/A VAL 254.A N TYR 266.A O no hydrogen 2.754 N/A GLU 255.A N ARG 215.A O no hydrogen 2.810 N/A ILE 256.A N ASP 264.A O no hydrogen 3.081 N/A PHE 257.A N GLU 213.A O no hydrogen 2.908 N/A VAL 258.A N GLN 261.A O no hydrogen 3.105 N/A ASP 259.A N ASP 212.A OD2 no hydrogen 2.771 N/A GLN 261.A N VAL 258.A O no hydrogen 3.265 N/A GLN 263.A N ILE 256.A O no hydrogen 2.839 N/A GLN 263.A NE2 ASN 181.A O no hydrogen 3.111 N/A VAL 265.A N THR 11.A OG1 no hydrogen 3.068 N/A TYR 266.A N VAL 254.A O no hydrogen 3.006 N/A TYR 266.A OH TYR 5.A O no hydrogen 2.588 N/A GLU 268.A N ALA 252.A O no hydrogen 2.958 N/A PHE 270.A N TYR 250.A O no hydrogen 2.920 N/A ARG 273.A NE PRO 389.A O no hydrogen 2.709 N/A ARG 273.A NH1 ARG 273.A O no hydrogen 3.053 N/A ARG 273.A NH1 GLN 424.A OE1 no hydrogen 3.104 N/A ARG 273.A NH2 PRO 389.A O no hydrogen 3.332 N/A ARG 273.A NH2 GLN 424.A OE1 no hydrogen 3.091 N/A GLU 274.A N ASN 285.A OD1 no hydrogen 2.808 N/A GLU 276.A N LEU 283.A O no hydrogen 3.008 N/A THR 278.A N GLN 281.A O no hydrogen 3.188 N/A GLY 280.A N ASP 485.A O no hydrogen 2.721 N/A GLN 281.A N THR 278.A O no hydrogen 3.151 N/A LEU 283.A N GLU 276.A O no hydrogen 2.764 N/A LEU 284.A N LYS 287.A O no hydrogen 2.950 N/A ASN 285.A N GLU 274.A O no hydrogen 2.713 N/A ASN 285.A ND2 TRP 242.A O no hydrogen 3.325 N/A ASN 285.A ND2 GLU 243.A OE2 no hydrogen 2.754 N/A ARG 286.A NE GLU 274.A OE1 no hydrogen 3.396 N/A ARG 286.A NE GLU 274.A OE2 no hydrogen 2.995 N/A ARG 286.A NH1 SER 193.A O no hydrogen 3.229 N/A ARG 286.A NH1 ASP 194.A O no hydrogen 3.151 N/A ARG 286.A NH2 LEU 192.A O no hydrogen 3.515 N/A ARG 286.A NH2 SER 193.A O no hydrogen 3.075 N/A ARG 286.A NH2 GLU 274.A OE1 no hydrogen 3.033 N/A LYS 287.A N LEU 284.A O no hydrogen 3.160 N/A LYS 287.A NZ ASN 285.A O no hydrogen 3.562 N/A ILE 289.A N PHE 282.A O no hydrogen 2.882 N/A TYR 290.A N HIS 581.A O no hydrogen 2.926 N/A TYR 290.A OH GLU 534.A OE2 no hydrogen 2.682 N/A PHE 291.A N VAL 532.A O no hydrogen 2.924 N/A LYS 292.A N ASN 325.A OD1 no hydrogen 2.858 N/A LYS 292.A NZ GLY 323.A O no hydrogen 2.958 N/A LYS 292.A NZ TRP 576.A O no hydrogen 3.022 N/A LYS 292.A NZ ILE 579.A O no hydrogen 2.566 N/A LYS 292.A NZ HIS 581.A ND1 no hydrogen 3.278 N/A GLY 293.A N GLU 534.A O no hydrogen 3.173 N/A PHE 294.A N SER 326.A O no hydrogen 3.321 N/A GLY 295.A N VAL 536.A O no hydrogen 2.763 N/A LYS 296.A N ARG 328.A O no hydrogen 3.459 N/A LYS 296.A NZ ASP 315.A OD2 no hydrogen 3.264 N/A HIS 297.A ND1 TYR 332.A OH no hydrogen 2.936 N/A GLU 298.A N TYR 332.A OH no hydrogen 2.995 N/A THR 300.A N GLY 304.A O no hydrogen 3.087 N/A THR 300.A OG1 PHE 301.A O no hydrogen 3.369 N/A ASN 303.A N PHE 301.A O no hydrogen 2.667 N/A GLY 304.A N THR 300.A O no hydrogen 3.133 N/A ARG 305.A N SER 45.A OG no hydrogen 2.785 N/A ARG 305.A NE GLU 298.A O no hydrogen 2.972 N/A ARG 305.A NH1 PHE 164.A O no hydrogen 2.929 N/A ARG 305.A NH2 GLU 298.A O no hydrogen 3.398 N/A GLY 306.A N ASN 303.A O no hydrogen 2.881 N/A LEU 307.A N HIS 170.A O no hydrogen 2.872 N/A ALA 311.A N ASN 308.A OD1 no hydrogen 3.159 N/A ASN 312.A N ASN 308.A O no hydrogen 3.025 N/A LEU 313.A N GLU 309.A O no hydrogen 3.024 N/A MET 314.A N ALA 310.A O no hydrogen 2.886 N/A ASP 315.A N ALA 311.A O no hydrogen 2.970 N/A LEU 316.A N ASN 312.A O no hydrogen 2.992 N/A ASN 317.A N LEU 313.A O no hydrogen 2.901 N/A LEU 318.A N MET 314.A O no hydrogen 3.066 N/A LEU 319.A N ASP 315.A O no hydrogen 2.871 N/A LYS 320.A N LEU 316.A O no hydrogen 2.984 N/A ASP 321.A N ASN 317.A O no hydrogen 2.954 N/A MET 322.A N LEU 318.A O no hydrogen 3.074 N/A GLY 323.A N LYS 320.A O no hydrogen 3.188 N/A ALA 324.A N LEU 319.A O no hydrogen 3.051 N/A ASN 325.A N LYS 292.A O no hydrogen 2.593 N/A ASN 325.A ND2 TYR 290.A O no hydrogen 2.969 N/A ASN 325.A ND2 HIS 581.A ND1 no hydrogen 3.206 N/A SER 326.A N LYS 292.A O no hydrogen 3.138 N/A SER 326.A OG LYS 292.A O no hydrogen 3.320 N/A SER 326.A OG ASN 325.A OD1 no hydrogen 2.998 N/A PHE 327.A N LEU 348.A O no hydrogen 3.055 N/A ARG 328.A N PHE 294.A O no hydrogen 3.051 N/A ARG 328.A NH1 GLU 352.A OE1 no hydrogen 2.771 N/A ARG 328.A NH1 ASN 398.A OD1 no hydrogen 2.975 N/A ARG 328.A NH2 THR 491.A O no hydrogen 3.377 N/A ARG 328.A NH2 GLU 492.A OE2 no hydrogen 3.274 N/A THR 329.A N ILE 350.A O no hydrogen 3.053 N/A THR 329.A OG1 THR 329.A O no hydrogen 2.506 N/A THR 329.A OG1 TYR 332.A O no hydrogen 3.556 N/A THR 329.A OG1 ILE 350.A O no hydrogen 3.567 N/A THR 329.A OG1 ASP 351.A OD1 no hydrogen 3.553 N/A SER 330.A OG LYS 296.A O no hydrogen 2.792 N/A SER 330.A OG ARG 328.A O no hydrogen 3.450 N/A HIS 331.A ND1 GLU 352.A OE2 no hydrogen 3.028 N/A TYR 332.A N THR 329.A O no hydrogen 2.991 N/A TYR 332.A OH HIS 297.A ND1 no hydrogen 2.936 N/A TYR 334.A OH SER 330.A O no hydrogen 2.752 N/A SER 335.A N GLU 298.A OE2 no hydrogen 2.880 N/A GLU 337.A N GLU 337.A OE1 no hydrogen 2.615 N/A MET 338.A N SER 335.A O no hydrogen 3.131 N/A MET 338.A N SER 335.A OG no hydrogen 3.121 N/A MET 339.A N SER 335.A O no hydrogen 3.311 N/A ARG 340.A N GLU 336.A O no hydrogen 2.909 N/A LEU 341.A N GLU 337.A O no hydrogen 3.024 N/A ALA 342.A N MET 338.A O no hydrogen 2.920 N/A ASP 343.A N MET 339.A O no hydrogen 2.996 N/A ARG 344.A N ARG 340.A O no hydrogen 3.108 N/A ARG 344.A NE ARG 344.A O no hydrogen 2.862 N/A ARG 344.A NH1 GLU 221.A OE1 no hydrogen 3.001 N/A ARG 344.A NH2 GLU 221.A OE1 no hydrogen 2.624 N/A MET 345.A N LEU 341.A O no hydrogen 2.954 N/A VAL 347.A N ALA 342.A O no hydrogen 3.049 N/A LEU 348.A N ASN 325.A O no hydrogen 2.901 N/A VAL 349.A N SER 390.A O no hydrogen 2.727 N/A ILE 350.A N PHE 327.A O no hydrogen 3.025 N/A ASP 351.A N MET 393.A O no hydrogen 2.853 N/A GLU 352.A N THR 329.A OG1 no hydrogen 2.817 N/A VAL 356.A N PRO 354.A O no hydrogen 2.819 N/A PHE 359.A N GLY 357.A O no hydrogen 2.752 N/A GLN 360.A N THR 364.A OG1 no hydrogen 3.007 N/A ASN 361.A ND2 ASN 160.A OD1 no hydrogen 3.054 N/A THR 364.A N GLU 404.A OE1 no hydrogen 2.624 N/A THR 364.A OG1 GLU 404.A OE1 no hydrogen 3.129 N/A THR 364.A OG1 GLU 404.A OE2 no hydrogen 3.023 N/A TRP 365.A NE1 ALA 401.A O no hydrogen 2.853 N/A LEU 367.A N THR 364.A O no hydrogen 3.136 N/A MET 368.A N THR 364.A O no hydrogen 3.084 N/A GLN 369.A N TYR 135.A O no hydrogen 2.907 N/A THR 370.A OG1 TYR 410.A OH no hydrogen 2.683 N/A LYS 371.A NZ GLU 375.A OE2 no hydrogen 2.828 N/A HIS 374.A N THR 370.A O no hydrogen 2.831 N/A HIS 374.A ND1 TYR 410.A OH no hydrogen 2.842 N/A HIS 374.A NE2 VAL 396.A O no hydrogen 2.750 N/A GLU 375.A N LYS 371.A O no hydrogen 3.006 N/A GLN 376.A N ALA 372.A O no hydrogen 3.145 N/A GLN 376.A NE2 LYS 103.A O no hydrogen 3.004 N/A GLN 376.A NE2 GLU 380.A OE1 no hydrogen 3.237 N/A GLN 376.A NE2 GLU 380.A OE2 no hydrogen 3.227 N/A ALA 377.A N ALA 373.A O no hydrogen 2.980 N/A ILE 378.A N HIS 374.A O no hydrogen 3.156 N/A GLN 379.A N GLU 375.A O no hydrogen 3.026 N/A GLN 379.A NE2 GLU 375.A O no hydrogen 3.586 N/A GLU 380.A N GLN 376.A O no hydrogen 2.794 N/A LEU 381.A N ALA 377.A O no hydrogen 2.965 N/A VAL 382.A N ILE 378.A O no hydrogen 3.090 N/A LYS 383.A N GLN 379.A O no hydrogen 3.155 N/A ARG 384.A N GLU 380.A O no hydrogen 3.040 N/A ARG 384.A N LEU 381.A O no hydrogen 3.182 N/A ARG 384.A NE ASP 385.A OD1 no hydrogen 2.587 N/A ARG 384.A NH1 TYR 334.A O no hydrogen 2.988 N/A ARG 384.A NH2 TYR 334.A O no hydrogen 2.925 N/A ARG 384.A NH2 ASP 385.A OD2 no hydrogen 2.911 N/A ASP 385.A N LEU 381.A O no hydrogen 2.923 N/A LYS 386.A N VAL 382.A O no hydrogen 2.937 N/A LYS 386.A NZ ASP 185.A OD1 no hydrogen 2.734 N/A LYS 386.A NZ LYS 383.A O no hydrogen 2.815 N/A ASN 387.A ND2 ILE 186.A O no hydrogen 2.678 N/A ASN 387.A ND2 GLU 268.A OE2 no hydrogen 2.872 N/A HIS 388.A N ASP 385.A O no hydrogen 3.037 N/A HIS 388.A ND1 ASP 343.A OD2 no hydrogen 2.383 N/A SER 390.A N ASP 343.A OD1 no hydrogen 3.103 N/A SER 390.A OG ASP 343.A OD1 no hydrogen 2.771 N/A VAL 391.A N HIS 388.A O no hydrogen 3.203 N/A VAL 392.A N VAL 349.A O no hydrogen 3.087 N/A TRP 394.A N PRO 427.A O no hydrogen 3.037 N/A TRP 394.A NE1 ASP 422.A OD2 no hydrogen 3.074 N/A VAL 395.A N ASP 351.A O no hydrogen 2.736 N/A VAL 396.A N THR 429.A O no hydrogen 2.979 N/A ASN 398.A N ALA 355.A O no hydrogen 2.994 N/A GLU 399.A N VAL 431.A O no hydrogen 2.723 N/A ALA 401.A N LEU 358.A O no hydrogen 2.849 N/A SER 402.A N PRO 400.A O no hydrogen 2.789 N/A SER 402.A OG ASP 441.A OD2 no hydrogen 2.714 N/A GLU 404.A N ALA 401.A O no hydrogen 3.435 N/A ALA 407.A N GLU 404.A O no hydrogen 3.361 N/A HIS 408.A N GLN 442.A OE1 no hydrogen 3.180 N/A HIS 408.A ND1 GLN 442.A O no hydrogen 3.070 N/A TYR 410.A N GLY 406.A O no hydrogen 3.205 N/A TYR 410.A N ALA 407.A O no hydrogen 3.200 N/A TYR 410.A OH THR 370.A OG1 no hydrogen 2.683 N/A TYR 410.A OH HIS 374.A ND1 no hydrogen 2.842 N/A PHE 411.A N ALA 407.A O no hydrogen 3.131 N/A GLU 412.A N HIS 408.A O no hydrogen 3.032 N/A VAL 415.A N PHE 411.A O no hydrogen 2.833 N/A LYS 416.A N GLU 412.A O no hydrogen 3.209 N/A LYS 416.A NZ.A ASP 420.A OD2 no hydrogen 3.529 N/A LYS 416.A NZ.B ASP 420.A OD2 no hydrogen 3.435 N/A LEU 417.A N PRO 413.A O no hydrogen 2.958 N/A TYR 418.A N LEU 414.A O no hydrogen 3.346 N/A TYR 418.A OH VAL 395.A O no hydrogen 2.903 N/A LYS 419.A N VAL 415.A O no hydrogen 3.303 N/A LYS 419.A NZ ARG 426.A O no hydrogen 3.100 N/A LYS 419.A NZ ASP 448.A OD2 no hydrogen 2.992 N/A ASP 420.A N LYS 416.A O no hydrogen 2.880 N/A LEU 421.A N LEU 417.A O no hydrogen 2.985 N/A ASP 422.A N TYR 418.A O no hydrogen 3.014 N/A GLN 424.A N ASP 422.A OD1 no hydrogen 3.202 N/A LYS 425.A N ASP 422.A O no hydrogen 3.079 N/A LYS 425.A NZ LYS 419.A O no hydrogen 3.416 N/A ARG 426.A N ASP 422.A OD2 no hydrogen 2.773 N/A ARG 426.A NE ASP 422.A OD2 no hydrogen 3.112 N/A ARG 426.A NH1 LYS 386.A O no hydrogen 3.540 N/A ARG 426.A NH1 HIS 388.A O no hydrogen 3.173 N/A ARG 426.A NH1 VAL 391.A O no hydrogen 2.974 N/A ARG 426.A NH2 LYS 386.A O no hydrogen 2.680 N/A ARG 426.A NH2 ASP 422.A OD1 no hydrogen 2.894 N/A VAL 428.A N ASP 448.A OD2 no hydrogen 3.123 N/A THR 429.A N TRP 394.A O no hydrogen 2.740 N/A THR 429.A OG1 VAL 449.A O no hydrogen 2.597 N/A VAL 431.A N ALA 397.A O no hydrogen 2.999 N/A ASN 432.A N CYS 451.A O no hydrogen 2.752 N/A ASN 432.A ND2 ALA 436.A O no hydrogen 3.262 N/A ALA 436.A N ILE 433.A O no hydrogen 3.070 N/A THR 437.A N MET 435.A O no hydrogen 3.083 N/A THR 437.A OG1 ASP 439.A OD1 no hydrogen 3.154 N/A ARG 440.A N THR 437.A O no hydrogen 2.799 N/A ASP 441.A N THR 437.A O no hydrogen 2.853 N/A GLN 442.A N SER 402.A O no hydrogen 3.081 N/A VAL 443.A N ASP 441.A OD1 no hydrogen 3.017 N/A MET 444.A N ASP 441.A OD1 no hydrogen 2.886 N/A LEU 446.A N VAL 443.A O no hydrogen 3.104 N/A ASP 448.A N VAL 428.A O no hydrogen 2.961 N/A VAL 450.A N PRO 487.A O no hydrogen 2.930 N/A CYS 451.A SG THR 429.A OG1 no hydrogen 3.274 N/A LEU 452.A N ILE 489.A O no hydrogen 2.946 N/A ASN 453.A N ASN 432.A O no hydrogen 3.027 N/A ASN 453.A ND2 ASN 398.A OD1 no hydrogen 3.637 N/A ASN 453.A ND2 GLU 399.A OE2 no hydrogen 2.865 N/A ARG 454.A N GLU 492.A O no hydrogen 2.969 N/A ARG 454.A NE GLU 475.A OE1 no hydrogen 3.066 N/A ARG 454.A NE GLU 475.A OE2 no hydrogen 3.187 N/A ARG 454.A NH1 ASN 432.A OD1 no hydrogen 2.581 N/A ARG 454.A NH1 GLU 475.A OE1 no hydrogen 2.690 N/A ARG 454.A NH2 ASN 432.A O no hydrogen 3.217 N/A ARG 454.A NH2 ASN 432.A OD1 no hydrogen 2.892 N/A ARG 454.A NH2 ASN 453.A O no hydrogen 3.171 N/A TYR 455.A OH GLU 492.A OE1 no hydrogen 2.451 N/A TYR 456.A OH GLU 475.A OE2 no hydrogen 2.567 N/A GLY 457.A N VAL 460.A O no hydrogen 2.639 N/A TRP 458.A N TYR 455.A O no hydrogen 2.967 N/A TYR 459.A N TYR 455.A O no hydrogen 3.074 N/A HIS 462.A ND1 TRP 458.A O no hydrogen 2.707 N/A GLY 463.A N GLY 457.A O no hydrogen 2.984 N/A ASP 464.A N ASP 461.A O no hydrogen 2.977 N/A ASN 467.A N ASP 464.A OD1 no hydrogen 3.187 N/A ASN 467.A ND2 ASP 464.A OD2 no hydrogen 2.718 N/A ALA 468.A N ASP 464.A O no hydrogen 2.889 N/A GLU 469.A N LEU 465.A O no hydrogen 2.951 N/A GLY 471.A N ASN 467.A O no hydrogen 3.245 N/A ILE 472.A N ALA 468.A O no hydrogen 3.026 N/A ARG 473.A N GLU 469.A O no hydrogen 3.204 N/A ARG 473.A NH2 GLU 469.A OE2 no hydrogen 2.928 N/A LYS 474.A N VAL 470.A O no hydrogen 2.978 N/A GLU 475.A N GLY 471.A O no hydrogen 3.184 N/A LEU 476.A N ILE 472.A O no hydrogen 3.027 N/A LEU 477.A N ARG 473.A O no hydrogen 3.161 N/A GLU 478.A N LYS 474.A O no hydrogen 3.303 N/A TRP 479.A N GLU 475.A O no hydrogen 2.947 N/A TRP 479.A NE1 GLU 475.A OE1 no hydrogen 3.103 N/A GLN 480.A N LEU 476.A O no hydrogen 3.046 N/A ASP 481.A N LEU 477.A O no hydrogen 3.022 N/A LYS 482.A N GLU 478.A O no hydrogen 2.900 N/A LYS 482.A NZ PRO 438.A O no hydrogen 2.367 N/A LYS 482.A NZ ASP 441.A O no hydrogen 3.261 N/A PHE 483.A N TRP 479.A O no hydrogen 3.030 N/A LYS 486.A N PHE 483.A O no hydrogen 3.280 N/A ILE 488.A N ASN 530.A O no hydrogen 2.797 N/A ILE 489.A N VAL 450.A O no hydrogen 2.820 N/A ILE 490.A N GLY 533.A O no hydrogen 3.103 N/A THR 491.A N LEU 452.A O no hydrogen 2.962 N/A THR 491.A OG1 LEU 452.A O no hydrogen 3.431 N/A THR 491.A OG1 ASN 453.A OD1 no hydrogen 2.634 N/A TYR 493.A OH HIS 522.A NE2 no hydrogen 2.805 N/A THR 497.A N HIS 555.A O no hydrogen 2.705 N/A THR 497.A OG1 ALA 495.A O no hydrogen 2.928 N/A LEU 498.A N TYR 509.A O no hydrogen 3.118 N/A GLY 500.A N GLU 511.A OE2 no hydrogen 3.051 N/A LEU 501.A N LEU 498.A O no hydrogen 3.147 N/A HIS 502.A ND1 GLU 512.A OE2 no hydrogen 2.701 N/A SER 503.A N GLU 512.A OE1 no hydrogen 3.192 N/A TRP 505.A N SER 503.A OG no hydrogen 3.144 N/A ASN 506.A ND2 ASP 516.A OD2 no hydrogen 2.610 N/A THR 510.A N ILE 507.A O no hydrogen 3.178 N/A THR 510.A OG1 ILE 507.A O no hydrogen 2.472 N/A GLU 511.A N LEU 501.A O no hydrogen 2.918 N/A PHE 513.A N THR 510.A OG1 no hydrogen 3.423 N/A GLN 514.A N THR 510.A O no hydrogen 3.454 N/A GLN 514.A NE2 GLY 557.A O no hydrogen 3.189 N/A CYS 515.A N GLU 511.A O no hydrogen 3.463 N/A CYS 515.A SG GLU 511.A O no hydrogen 3.641 N/A CYS 515.A SG GLN 567.A OE1 no hydrogen 3.666 N/A ASP 516.A N GLU 512.A O no hydrogen 2.962 N/A PHE 517.A N PHE 513.A O no hydrogen 2.706 N/A TYR 518.A N GLN 514.A O no hydrogen 3.159 N/A TYR 518.A OH TYR 493.A O no hydrogen 2.758 N/A GLU 519.A N CYS 515.A O no hydrogen 2.916 N/A MET 520.A N ASP 516.A O no hydrogen 3.044 N/A SER 521.A N PHE 517.A O no hydrogen 3.046 N/A SER 521.A OG PHE 517.A O no hydrogen 2.866 N/A HIS 522.A N TYR 518.A O no hydrogen 3.002 N/A HIS 522.A NE2 TYR 493.A OH no hydrogen 2.805 N/A ARG 523.A N GLU 519.A O no hydrogen 3.288 N/A ARG 523.A NH1 GLU 469.A OE2 no hydrogen 3.267 N/A VAL 524.A N MET 520.A O no hydrogen 3.303 N/A PHE 525.A N SER 521.A O no hydrogen 2.967 N/A ASP 526.A N HIS 522.A O no hydrogen 3.021 N/A GLY 527.A N VAL 524.A O no hydrogen 3.023 N/A ILE 528.A N PHE 525.A O no hydrogen 3.046 N/A ASN 530.A N GLN 480.A OE1 no hydrogen 3.014 N/A ASN 530.A ND2 PRO 484.A O no hydrogen 2.954 N/A LEU 531.A N ILE 528.A O no hydrogen 3.145 N/A VAL 532.A N ILE 488.A O no hydrogen 2.751 N/A GLU 534.A N PHE 291.A O no hydrogen 2.808 N/A GLN 535.A N ILE 490.A O no hydrogen 2.684 N/A GLN 535.A NE2 SER 326.A OG no hydrogen 3.329 N/A VAL 536.A N GLY 293.A O no hydrogen 3.047 N/A TRP 537.A N TYR 493.A O no hydrogen 3.264 N/A ASN 538.A N LYS 556.A O no hydrogen 2.822 N/A PHE 539.A N GLY 295.A O no hydrogen 3.137 N/A ALA 540.A N ASN 538.A OD1 no hydrogen 3.132 N/A ASP 541.A N PHE 559.A O no hydrogen 3.173 N/A PHE 542.A N ASN 554.A O no hydrogen 3.217 N/A GLU 543.A N ASP 299.A OD2 no hydrogen 3.165 N/A THR 544.A N GLU 543.A OE1 no hydrogen 3.117 N/A THR 544.A OG1 ASN 545.A O no hydrogen 3.207 N/A ASN 545.A ND2.A GLU 159.A OE1 no hydrogen 2.487 N/A LEU 546.A N ASN 545.A OD1.B no hydrogen 2.723 N/A ARG 550.A N MET 547.A O no hydrogen 2.820 N/A ARG 550.A NE ASP 162.A OD1 no hydrogen 2.840 N/A ARG 550.A NE ASP 162.A OD2 no hydrogen 3.140 N/A ARG 550.A NH1 LEU 549.A O no hydrogen 3.006 N/A ARG 550.A NH2 ASP 162.A OD2 no hydrogen 2.710 N/A ARG 550.A NH2 TYR 459.A OH no hydrogen 3.115 N/A ASN 554.A N PHE 542.A O no hydrogen 2.859 N/A ASN 554.A ND2 ASP 162.A OD2 no hydrogen 3.144 N/A HIS 555.A N ASP 496.A OD2 no hydrogen 2.855 N/A HIS 555.A ND1 ASP 541.A OD2 no hydrogen 2.920 N/A LYS 556.A N ASN 554.A OD1 no hydrogen 2.868 N/A LYS 556.A NZ TYR 459.A OH no hydrogen 2.774 N/A LYS 556.A NZ ASP 496.A OD1 no hydrogen 2.737 N/A GLY 557.A N ASP 541.A OD1 no hydrogen 2.961 N/A LEU 558.A N ASN 538.A O no hydrogen 2.944 N/A PHE 559.A N PHE 539.A O no hydrogen 2.930 N/A SER 560.A N GLN 564.A O no hydrogen 2.652 N/A ARG 561.A NE ASP 299.A OD1 no hydrogen 2.788 N/A ARG 561.A NH2 TYR 166.A OH no hydrogen 2.939 N/A ARG 561.A NH2 THR 300.A O no hydrogen 3.160 N/A ARG 563.A N SER 560.A O no hydrogen 2.873 N/A ARG 563.A NE ARG 561.A O no hydrogen 3.202 N/A ARG 563.A NH1 ASP 315.A OD1 no hydrogen 2.934 N/A ARG 563.A NH2 ASP 299.A O no hydrogen 2.645 N/A ARG 563.A NH2 ARG 561.A O no hydrogen 3.543 N/A GLN 564.A N ASN 562.A OD1 no hydrogen 3.068 N/A LYS 566.A N LEU 558.A O no hydrogen 3.051 N/A LYS 566.A NZ THR 497.A O no hydrogen 2.785 N/A LYS 566.A NZ ASP 541.A OD1 no hydrogen 2.908 N/A LYS 566.A NZ ASP 541.A OD2 no hydrogen 3.308 N/A LYS 566.A NZ GLY 557.A O no hydrogen 2.807 N/A GLN 567.A N GLU 511.A OE1 no hydrogen 2.920 N/A GLN 567.A NE2 GLU 512.A OE2 no hydrogen 3.337 N/A VAL 569.A N LYS 566.A O no hydrogen 3.208 N/A PHE 572.A N VAL 568.A O no hydrogen 2.994 N/A LYS 573.A N VAL 569.A O no hydrogen 3.098 N/A LYS 573.A NZ ASP 321.A OD1 no hydrogen 3.466 N/A LYS 573.A NZ ASP 321.A OD2 no hydrogen 2.830 N/A LYS 574.A N LYS 570.A O no hydrogen 3.372 N/A ARG 575.A N GLU 571.A O no hydrogen 3.221 N/A ARG 575.A NH1 ASP 526.A OD1 no hydrogen 3.540 N/A ARG 575.A NH1 GLU 534.A OE1 no hydrogen 3.333 N/A ARG 575.A NH2 ASP 526.A OD1 no hydrogen 3.130 N/A ARG 575.A NH2 ASP 526.A OD2 no hydrogen 2.381 N/A TRP 576.A N PHE 572.A O no hydrogen 2.787 N/A TRP 576.A NE1 GLU 534.A OE1 no hydrogen 2.795 N/A MET 577.A N LYS 573.A O no hydrogen 3.202 N/A THR 578.A N ARG 575.A O no hydrogen 3.084 N/A THR 578.A OG1 LYS 574.A O no hydrogen 2.876 N/A ILE 579.A N ARG 575.A O no hydrogen 3.070 N/A TYR 582.A OH GLU 243.A OE1 no hydrogen 2.175 N/A LYS 585.A NZ PHE 525.A O no hydrogen 3.195 N/A LYS 585.A NZ ILE 528.A O no hydrogen 2.622 N/A LYS 585.A NZ LEU 531.A O no hydrogen 2.888 N/A LYS 586.A N ASN 584.A OD1 no hydrogen 2.786 N/A LYS 586.A NZ ASN 530.A OD1 no hydrogen 2.298 N/A