Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hkw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 55.A OD1 no hydrogen 2.958 N/A SER 3.A N PHE 54.A O no hydrogen 2.910 N/A SER 3.A OG VAL 52.A O no hydrogen 2.797 N/A SER 3.A OG PHE 54.A O no hydrogen 3.322 N/A SER 5.A N TYR 274.A O no hydrogen 2.957 N/A TRP 6.A NE1 THR 53.A OG1 no hydrogen 2.773 N/A THR 7.A N CYS 272.A O no hydrogen 2.924 N/A THR 7.A OG1 ASN 271.A O no hydrogen 2.559 N/A ALA 9.A N THR 7.A OG1 no hydrogen 3.234 N/A THR 12.A OG1 SER 267.A OG no hydrogen 2.583 N/A LEU 21.A N VAL 37.A O no hydrogen 3.081 N/A SER 27.A OG ASN 24.A O no hydrogen 3.088 N/A ASN 28.A N ASN 24.A O no hydrogen 2.829 N/A SER 29.A N ALA 25.A O no hydrogen 2.981 N/A SER 29.A N LEU 26.A O no hydrogen 3.287 N/A SER 29.A OG LEU 26.A O no hydrogen 2.564 N/A LEU 30.A N SER 27.A O no hydrogen 3.030 N/A LEU 31.A N SER 27.A O no hydrogen 3.072 N/A ARG 32.A N GLY 491.A O no hydrogen 2.871 N/A HIS 33.A N LEU 490.A O no hydrogen 3.104 N/A HIS 33.A ND1 LYS 489.A O no hydrogen 2.848 N/A HIS 34.A N ARG 32.A O no hydrogen 2.833 N/A MET 36.A N.A HIS 33.A O no hydrogen 3.046 N/A MET 36.A N.B HIS 33.A O no hydrogen 3.027 N/A VAL 37.A N HIS 34.A O no hydrogen 3.180 N/A TYR 38.A N PHE 145.A O no hydrogen 2.959 N/A SER 39.A N GLN 19.A O no hydrogen 2.892 N/A SER 39.A OG THR 40.A O no hydrogen 3.040 N/A THR 40.A N GLU 143.A O no hydrogen 2.819 N/A THR 40.A OG1 LYS 141.A O no hydrogen 2.666 N/A THR 40.A OG1 GLU 143.A O no hydrogen 3.445 N/A SER 42.A N GLU 17.A OE2 no hydrogen 2.939 N/A SER 42.A OG GLU 17.A OE1 no hydrogen 2.758 N/A ARG 43.A N THR 41.A OG1 no hydrogen 3.148 N/A SER 44.A N THR 41.A O no hydrogen 3.198 N/A SER 44.A OG THR 41.A O no hydrogen 3.025 N/A ALA 45.A N SER 42.A O no hydrogen 2.999 N/A ARG 48.A N.A SER 44.A O no hydrogen 3.467 N/A ARG 48.A N.A ALA 45.A O no hydrogen 3.013 N/A ARG 48.A NE.A ALA 155.A O no hydrogen 3.100 N/A ARG 48.A NH2.A PRO 154.A O no hydrogen 2.884 N/A GLN 49.A N ALA 45.A O no hydrogen 2.839 N/A LYS 50.A N CYS 46.A O no hydrogen 3.046 N/A LYS 51.A N GLN 47.A O no hydrogen 3.273 N/A VAL 52.A N ARG 48.A O.A no hydrogen 2.997 N/A VAL 52.A N ARG 48.A O.B no hydrogen 2.988 N/A THR 53.A N LYS 50.A O no hydrogen 3.413 N/A THR 53.A OG1 GLN 49.A O no hydrogen 2.586 N/A PHE 54.A N SER 3.A OG no hydrogen 3.081 N/A ARG 56.A N SER 1.A O no hydrogen 3.023 N/A ARG 56.A NE SER 1.A O no hydrogen 2.827 N/A ARG 56.A NH1 SER 1.A OG no hydrogen 2.990 N/A ARG 56.A NH1 ARG 276.A O no hydrogen 2.784 N/A ARG 56.A NH2 SER 224.A O no hydrogen 2.845 N/A ARG 56.A NH2 VAL 226.A O no hydrogen 2.854 N/A ARG 56.A NH2 ARG 276.A O no hydrogen 3.498 N/A GLN 58.A NE2 ASP 230.A OD1 no hydrogen 2.839 N/A GLN 58.A NE2 ASP 230.A OD2 no hydrogen 3.509 N/A GLN 58.A NE2 TYR 344.A O no hydrogen 2.983 N/A VAL 59.A N ARG 343.A O no hydrogen 2.850 N/A TYR 64.A N ASP 61.A OD1 no hydrogen 3.191 N/A GLN 65.A N ASP 61.A O no hydrogen 3.011 N/A ASP 66.A N SER 62.A O no hydrogen 2.832 N/A VAL 67.A N HIS 63.A O no hydrogen 3.024 N/A LEU 68.A N TYR 64.A O no hydrogen 3.019 N/A LYS 69.A N GLN 65.A O no hydrogen 3.013 N/A GLU 70.A N ASP 66.A O no hydrogen 3.199 N/A VAL 71.A N VAL 67.A O no hydrogen 2.964 N/A LYS 72.A N LEU 68.A O no hydrogen 2.897 N/A ALA 73.A N LYS 69.A O no hydrogen 2.923 N/A ALA 74.A N GLU 70.A O no hydrogen 2.993 N/A ALA 75.A N VAL 71.A O no hydrogen 2.865 N/A SER 76.A N LYS 72.A O no hydrogen 3.045 N/A SER 76.A N ALA 73.A O no hydrogen 3.321 N/A SER 76.A OG ALA 73.A O no hydrogen 2.606 N/A LYS 77.A N ALA 74.A O no hydrogen 3.170 N/A VAL 78.A N ALA 75.A O no hydrogen 2.910 N/A ALA 80.A N ASP 242.A O no hydrogen 3.025 N/A ASN 81.A N ASP 175.A OD2 no hydrogen 2.765 N/A LEU 83.A N MET 171.A O no hydrogen 3.015 N/A SER 84.A N GLU 87.A OE1 no hydrogen 2.816 N/A GLU 87.A N SER 84.A OG no hydrogen 2.983 N/A ALA 88.A N SER 84.A O no hydrogen 2.921 N/A CYS 89.A N VAL 85.A O no hydrogen 2.831 N/A CYS 89.A SG VAL 85.A O no hydrogen 3.260 N/A SER 90.A N GLU 86.A O no hydrogen 3.065 N/A SER 90.A OG GLU 87.A O no hydrogen 2.685 N/A LEU 91.A N ALA 88.A O no hydrogen 3.194 N/A THR 92.A N CYS 89.A O no hydrogen 3.081 N/A THR 92.A OG1 ALA 88.A O no hydrogen 3.375 N/A THR 92.A OG1 CYS 89.A O no hydrogen 3.331 N/A SER 96.A N PRO 93.A O no hydrogen 3.181 N/A SER 96.A OG ASP 557.A OD1 no hydrogen 2.661 N/A SER 96.A OG ASP 557.A OD2 no hydrogen 3.056 N/A SER 99.A N TYR 103.A O no hydrogen 2.896 N/A SER 99.A OG ASP 162.A OD1 no hydrogen 3.354 N/A SER 99.A OG ASP 162.A OD2 no hydrogen 2.660 N/A LYS 100.A N ASP 162.A OD1 no hydrogen 2.853 N/A PHE 101.A N SER 99.A OG no hydrogen 2.895 N/A TYR 103.A OH HIS 118.A ND1 no hydrogen 2.627 N/A GLY 104.A N ASP 107.A OD2 no hydrogen 2.857 N/A VAL 108.A N GLY 104.A O no hydrogen 3.118 N/A ARG 109.A N ALA 105.A O no hydrogen 2.823 N/A ARG 109.A NH1 SER 90.A O no hydrogen 3.099 N/A ARG 109.A NH1 THR 92.A O no hydrogen 2.842 N/A CYS 110.A N.A LYS 106.A O no hydrogen 2.955 N/A CYS 110.A N.B LYS 106.A O no hydrogen 2.953 N/A CYS 110.A SG.A LYS 106.A O no hydrogen 3.308 N/A CYS 110.A SG.A ASP 107.A O no hydrogen 3.655 N/A CYS 110.A SG.B LYS 106.A O no hydrogen 3.229 N/A HIS 111.A N VAL 108.A O no hydrogen 2.991 N/A ALA 112.A N ASP 107.A O no hydrogen 2.833 N/A VAL 116.A N ALA 112.A O no hydrogen 2.993 N/A THR 117.A N ARG 113.A O no hydrogen 2.795 N/A THR 117.A OG1 ARG 113.A O no hydrogen 2.829 N/A HIS 118.A N LYS 114.A O no hydrogen 3.275 N/A HIS 118.A ND1 TYR 103.A OH no hydrogen 2.627 N/A ILE 119.A N ALA 115.A O no hydrogen 2.849 N/A ASN 120.A N VAL 116.A O no hydrogen 2.902 N/A SER 121.A N THR 117.A O no hydrogen 3.129 N/A SER 121.A OG HIS 118.A O no hydrogen 2.643 N/A VAL 122.A N HIS 118.A O no hydrogen 2.925 N/A TRP 123.A N ILE 119.A O no hydrogen 2.901 N/A LYS 124.A N ASN 120.A O no hydrogen 3.012 N/A LYS 124.A NZ GLU 128.A OE1 no hydrogen 3.109 N/A LYS 124.A NZ GLU 128.A OE2 no hydrogen 2.989 N/A ASP 125.A N SER 121.A O no hydrogen 2.966 N/A LEU 126.A N VAL 122.A O no hydrogen 2.911 N/A LEU 127.A N TRP 123.A O no hydrogen 3.087 N/A GLU 128.A N LYS 124.A O no hydrogen 2.998 N/A GLU 128.A N ASP 125.A O no hydrogen 3.302 N/A ASP 129.A N ASP 125.A O no hydrogen 2.834 N/A VAL 131.A N.A ASP 129.A OD1 no hydrogen 2.853 N/A VAL 131.A N.B ASP 129.A OD1 no hydrogen 2.835 N/A THR 132.A N ASP 129.A OD1 no hydrogen 2.981 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.361 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.658 N/A ILE 134.A N ARG 257.A O no hydrogen 2.789 N/A THR 136.A N PRO 263.A O no hydrogen 3.338 N/A THR 136.A OG1 PRO 263.A O no hydrogen 2.724 N/A THR 137.A N PHE 160.A O no hydrogen 2.828 N/A ILE 138.A N THR 265.A O no hydrogen 3.020 N/A MET 139.A N ILE 158.A O no hydrogen 2.920 N/A LYS 141.A N ARG 156.A O no hydrogen 2.841 N/A ASN 142.A ND2 GLU 17.A OE2 no hydrogen 2.998 N/A ASN 142.A ND2 THR 40.A O no hydrogen 2.983 N/A GLU 143.A N THR 40.A OG1 no hydrogen 2.973 N/A PHE 145.A N TYR 38.A O no hydrogen 2.906 N/A CYS 146.A SG MET 36.A O.A no hydrogen 3.772 N/A CYS 146.A SG VAL 147.A O no hydrogen 3.443 N/A VAL 147.A N MET 36.A O.A no hydrogen 2.813 N/A VAL 147.A N MET 36.A O.B no hydrogen 2.802 N/A GLN 148.A N GLY 151.A O no hydrogen 3.471 N/A LYS 153.A N TYR 38.A OH no hydrogen 2.729 N/A ALA 155.A N SER 44.A OG no hydrogen 2.822 N/A ILE 158.A N MET 139.A O no hydrogen 2.849 N/A VAL 159.A N SER 280.A OG no hydrogen 3.070 N/A PHE 160.A N THR 137.A O no hydrogen 3.081 N/A GLY 164.A N ASP 162.A OD2 no hydrogen 3.314 N/A ARG 166.A N ASP 162.A O no hydrogen 2.954 N/A ARG 166.A NE ASP 557.A OD2 no hydrogen 2.879 N/A ARG 166.A NH1 PRO 161.A O no hydrogen 2.849 N/A ARG 166.A NH2 SER 96.A OG no hydrogen 2.795 N/A ARG 166.A NH2 ALA 97.A O no hydrogen 2.846 N/A VAL 167.A N LEU 163.A O no hydrogen 3.049 N/A CYS 168.A N GLY 164.A O no hydrogen 3.236 N/A CYS 168.A SG ILE 119.A O no hydrogen 3.612 N/A CYS 168.A SG GLY 164.A O no hydrogen 3.545 N/A GLU 169.A N VAL 165.A O no hydrogen 2.820 N/A LYS 170.A N ARG 166.A O no hydrogen 3.174 N/A LYS 170.A NZ ASP 557.A O no hydrogen 2.755 N/A LYS 170.A NZ ASP 557.A OD2 no hydrogen 3.312 N/A MET 171.A N VAL 167.A O no hydrogen 3.074 N/A ALA 172.A N CYS 168.A O no hydrogen 3.025 N/A LEU 173.A N GLU 169.A O no hydrogen 2.784 N/A TYR 174.A N LYS 170.A O no hydrogen 2.941 N/A TYR 174.A OH HIS 560.A NE2 no hydrogen 2.676 N/A VAL 177.A N LEU 173.A O no hydrogen 2.912 N/A SER 178.A N TYR 174.A O no hydrogen 3.057 N/A SER 178.A OG TYR 174.A O no hydrogen 2.721 N/A SER 178.A OG TYR 553.A OH no hydrogen 2.677 N/A LYS 179.A N ASP 175.A O no hydrogen 3.144 N/A LYS 179.A N VAL 176.A O no hydrogen 3.180 N/A LYS 179.A NZ LYS 79.A O no hydrogen 3.292 N/A LYS 179.A NZ ASP 175.A OD1 no hydrogen 3.441 N/A LYS 179.A NZ ASP 175.A OD2 no hydrogen 2.800 N/A LEU 180.A N VAL 176.A O no hydrogen 2.861 N/A ALA 183.A N LYS 179.A O no hydrogen 3.415 N/A VAL 184.A N LEU 180.A O no hydrogen 3.019 N/A VAL 184.A N PRO 181.A O no hydrogen 3.329 N/A MET 185.A N.A PRO 181.A O no hydrogen 3.072 N/A MET 185.A N.B PRO 181.A O no hydrogen 3.046 N/A MET 185.A N.C PRO 181.A O no hydrogen 3.095 N/A GLY 186.A N GLN 182.A O no hydrogen 2.840 N/A SER 188.A N MET 185.A O.A no hydrogen 3.408 N/A SER 188.A N MET 185.A O.B no hydrogen 2.995 N/A SER 188.A N MET 185.A O.C no hydrogen 3.131 N/A SER 188.A OG MET 311.A O no hydrogen 2.994 N/A TYR 189.A N GLY 186.A O no hydrogen 3.046 N/A GLY 190.A N VAL 313.A O no hydrogen 2.891 N/A GLN 192.A NE2 GLY 186.A O no hydrogen 2.677 N/A GLN 192.A NE2 TYR 189.A O no hydrogen 2.838 N/A TYR 193.A N GLY 190.A O no hydrogen 3.319 N/A TYR 193.A OH SER 187.A O no hydrogen 2.623 N/A SER 194.A N GLN 197.A OE1 no hydrogen 2.866 N/A GLY 196.A N LEU 464.A O no hydrogen 2.951 N/A GLN 197.A N SER 194.A OG no hydrogen 3.123 N/A ARG 198.A N SER 194.A O no hydrogen 2.821 N/A VAL 199.A N PRO 195.A O no hydrogen 3.020 N/A GLU 200.A N GLY 196.A O no hydrogen 3.110 N/A PHE 201.A N GLN 197.A O no hydrogen 2.903 N/A LEU 202.A N ARG 198.A O no hydrogen 3.013 N/A VAL 203.A N VAL 199.A O no hydrogen 2.976 N/A GLN 204.A N GLU 200.A O no hydrogen 2.900 N/A ALA 205.A N PHE 201.A O no hydrogen 2.925 N/A TRP 206.A N LEU 202.A O no hydrogen 2.976 N/A LYS 207.A N VAL 203.A O no hydrogen 2.865 N/A SER 208.A N GLN 204.A O no hydrogen 2.955 N/A SER 208.A OG GLN 204.A O no hydrogen 3.459 N/A SER 208.A OG ALA 205.A O no hydrogen 2.814 N/A LYS 209.A N TRP 206.A O no hydrogen 3.344 N/A LYS 209.A NZ ASP 308.A O.A no hydrogen 2.873 N/A LYS 209.A NZ ASP 308.A O.B no hydrogen 2.682 N/A LYS 209.A NZ ASP 308.A OD2.A no hydrogen 3.115 N/A LYS 209.A NZ THR 310.A OG1 no hydrogen 2.926 N/A LYS 210.A N.A GLU 323.A OE2 no hydrogen 2.727 N/A LYS 210.A N.B GLU 323.A OE2 no hydrogen 2.719 N/A SER 211.A N GLU 323.A OE1 no hydrogen 3.003 N/A MET 213.A N CYS 322.A O no hydrogen 2.961 N/A GLY 214.A N GLU 355.A O no hydrogen 2.951 N/A PHE 215.A N VAL 320.A O no hydrogen 2.911 N/A TYR 217.A N LEU 318.A O no hydrogen 3.042 N/A TYR 217.A OH ALA 346.A O no hydrogen 2.659 N/A ARG 220.A N PRO 347.A O no hydrogen 3.051 N/A CYS 221.A SG.A LYS 51.A O no hydrogen 3.785 N/A CYS 221.A SG.B SER 224.A OG no hydrogen 3.137 N/A SER 224.A N CYS 221.A O.A no hydrogen 2.918 N/A SER 224.A N CYS 221.A O.B no hydrogen 2.990 N/A SER 224.A OG VAL 52.A O no hydrogen 2.714 N/A THR 225.A N CYS 221.A O.A no hydrogen 3.245 N/A THR 225.A N CYS 221.A O.B no hydrogen 3.306 N/A THR 225.A N PHE 222.A O no hydrogen 2.846 N/A THR 225.A OG1 PHE 222.A O no hydrogen 2.637 N/A VAL 226.A N ASP 223.A O no hydrogen 3.418 N/A THR 227.A N ASP 230.A OD2 no hydrogen 3.016 N/A THR 227.A OG1 GLN 58.A OE1 no hydrogen 2.786 N/A THR 227.A OG1 SER 229.A OG no hydrogen 3.071 N/A SER 229.A OG THR 227.A OG1 no hydrogen 3.071 N/A ASP 230.A N THR 227.A OG1 no hydrogen 3.018 N/A ILE 231.A N THR 227.A O no hydrogen 3.054 N/A ARG 232.A N GLU 228.A O no hydrogen 2.927 N/A ARG 232.A NE GLU 256.A OE2 no hydrogen 2.885 N/A ARG 232.A NH2 GLU 256.A OE1 no hydrogen 2.842 N/A THR 233.A N SER 229.A O no hydrogen 2.784 N/A THR 233.A OG1 SER 229.A O no hydrogen 3.111 N/A GLU 234.A N.A ASP 230.A O no hydrogen 3.000 N/A GLU 234.A N.B ASP 230.A O no hydrogen 2.993 N/A GLU 235.A N ILE 231.A O no hydrogen 3.163 N/A ALA 236.A N ARG 232.A O no hydrogen 2.978 N/A ILE 237.A N THR 233.A O no hydrogen 2.953 N/A TYR 238.A N GLU 234.A O.A no hydrogen 2.880 N/A TYR 238.A N GLU 234.A O.B no hydrogen 2.932 N/A GLN 239.A N GLU 235.A O no hydrogen 3.010 N/A GLN 239.A NE2 GLU 235.A OE2 no hydrogen 2.920 N/A GLN 239.A NE2 ARG 248.A O no hydrogen 3.091 N/A CYS 240.A N ILE 237.A O no hydrogen 3.024 N/A CYS 240.A SG LYS 72.A O no hydrogen 3.898 N/A CYS 240.A SG ALA 236.A O no hydrogen 3.412 N/A CYS 241.A N TYR 238.A O no hydrogen 3.183 N/A CYS 241.A SG ALA 75.A O no hydrogen 3.849 N/A CYS 241.A SG TYR 238.A O no hydrogen 3.380 N/A ASP 242.A N VAL 78.A O no hydrogen 2.809 N/A GLN 246.A N ASP 244.A OD2 no hydrogen 2.847 N/A ARG 248.A N ASP 244.A O no hydrogen 3.118 N/A ARG 248.A NH1 GLN 239.A O no hydrogen 2.882 N/A ARG 248.A NH1 GLN 239.A OE1 no hydrogen 2.843 N/A ARG 248.A NH2 CYS 241.A O no hydrogen 2.918 N/A VAL 249.A N PRO 245.A O no hydrogen 3.348 N/A ALA 250.A N GLN 246.A O no hydrogen 2.966 N/A ILE 251.A N ALA 247.A O no hydrogen 2.792 N/A LYS 252.A N ARG 248.A O no hydrogen 3.219 N/A SER 253.A N VAL 249.A O no hydrogen 2.950 N/A SER 253.A OG LEU 126.A O no hydrogen 2.636 N/A SER 253.A OG ASP 129.A O no hydrogen 3.324 N/A SER 253.A OG VAL 249.A O no hydrogen 3.297 N/A LEU 254.A N ALA 250.A O no hydrogen 2.801 N/A THR 255.A N ILE 251.A O no hydrogen 2.976 N/A THR 255.A OG1 ILE 251.A O no hydrogen 3.052 N/A GLU 256.A N LYS 252.A O no hydrogen 2.959 N/A ARG 257.A N SER 253.A O no hydrogen 2.826 N/A ARG 257.A NE THR 132.A O no hydrogen 2.727 N/A ARG 257.A NH1 ASP 125.A O no hydrogen 3.145 N/A ARG 257.A NH1 ASP 125.A OD1 no hydrogen 2.935 N/A ARG 257.A NH1 ASP 129.A O no hydrogen 2.916 N/A ARG 257.A NH2 ASP 125.A OD1 no hydrogen 2.904 N/A ARG 257.A NH2 THR 132.A O no hydrogen 3.530 N/A LEU 258.A N LEU 254.A O no hydrogen 2.882 N/A TYR 259.A N LEU 254.A O no hydrogen 2.857 N/A TYR 259.A OH GLU 169.A OE1 no hydrogen 2.651 N/A VAL 260.A N THR 255.A O no hydrogen 2.954 N/A GLY 261.A N LEU 258.A O no hydrogen 3.307 N/A GLY 262.A N ARG 275.A O no hydrogen 3.023 N/A LEU 264.A N GLY 273.A O no hydrogen 2.828 N/A THR 265.A N THR 136.A O no hydrogen 2.893 N/A THR 265.A OG1 ASP 135.A OD1 no hydrogen 2.597 N/A THR 265.A OG1 ASP 135.A OD2 no hydrogen 3.263 N/A ASN 266.A N GLU 270.A O no hydrogen 2.909 N/A ASN 266.A ND2 LEU 10.A O no hydrogen 2.794 N/A ASN 266.A ND2 GLU 270.A OE1 no hydrogen 2.861 N/A SER 267.A OG THR 12.A O no hydrogen 3.418 N/A SER 267.A OG THR 12.A OG1 no hydrogen 2.583 N/A SER 267.A OG PRO 13.A O no hydrogen 3.011 N/A LYS 268.A N ASN 266.A OD1 no hydrogen 2.907 N/A GLY 269.A N ASN 266.A O no hydrogen 2.912 N/A GLU 270.A N ASN 266.A OD1 no hydrogen 2.948 N/A ASN 271.A ND2 LEU 264.A O no hydrogen 3.380 N/A ASN 271.A ND2 GLY 273.A O no hydrogen 3.250 N/A CYS 272.A N LEU 264.A O no hydrogen 2.808 N/A CYS 272.A SG ALA 9.A O no hydrogen 3.905 N/A CYS 272.A SG LEU 10.A O no hydrogen 3.447 N/A TYR 274.A N SER 5.A O no hydrogen 2.894 N/A ARG 275.A N GLY 262.A O no hydrogen 2.890 N/A ARG 275.A NH1 LEU 258.A O no hydrogen 3.273 N/A ARG 275.A NH1 TYR 259.A O no hydrogen 3.161 N/A ARG 275.A NH1 CYS 277.A O no hydrogen 2.906 N/A ARG 275.A NH2 LEU 258.A O no hydrogen 2.777 N/A ARG 276.A N SER 3.A O no hydrogen 2.857 N/A ARG 276.A NH1 GLU 228.A OE2 no hydrogen 2.640 N/A CYS 277.A SG SER 3.A O no hydrogen 3.587 N/A CYS 277.A SG ARG 278.A O no hydrogen 3.914 N/A ARG 278.A N ASP 223.A O no hydrogen 3.160 N/A ARG 278.A NE ASN 289.A OD1 no hydrogen 2.806 N/A ARG 278.A NH1 GLU 234.A OE1.A no hydrogen 2.713 N/A ARG 278.A NH1 GLU 234.A OE2.A no hydrogen 3.505 N/A ARG 278.A NH1 ASN 289.A OD1 no hydrogen 3.097 N/A ARG 278.A NH2 GLU 234.A OE2.A no hydrogen 2.834 N/A ARG 278.A NH2 GLU 234.A OE2.B no hydrogen 2.718 N/A SER 280.A OG LEU 157.A O no hydrogen 3.293 N/A GLY 281.A N VAL 159.A O no hydrogen 2.880 N/A VAL 282.A N THR 285.A OG1 no hydrogen 3.214 N/A LEU 283.A N GLU 169.A OE1 no hydrogen 2.919 N/A THR 285.A N VAL 282.A O no hydrogen 3.170 N/A THR 285.A OG1 ALA 279.A O no hydrogen 2.722 N/A THR 285.A OG1 VAL 282.A O no hydrogen 3.046 N/A GLY 288.A N THR 284.A O no hydrogen 2.720 N/A ASN 289.A N THR 285.A O no hydrogen 2.886 N/A ASN 289.A ND2 ASP 223.A OD1 no hydrogen 2.846 N/A THR 290.A N SER 286.A O no hydrogen 2.854 N/A THR 290.A OG1 SER 286.A O no hydrogen 2.699 N/A LEU 291.A N CYS 287.A O no hydrogen 2.883 N/A THR 292.A N GLY 288.A O no hydrogen 2.943 N/A THR 292.A OG1 GLU 234.A OE1.A no hydrogen 2.445 N/A THR 292.A OG1 GLY 288.A O no hydrogen 2.941 N/A CYS 293.A N ASN 289.A O no hydrogen 2.849 N/A TYR 294.A N THR 290.A O no hydrogen 2.886 N/A ILE 295.A N LEU 291.A O no hydrogen 2.892 N/A LYS 296.A N THR 292.A O no hydrogen 3.048 N/A LYS 296.A NZ ASP 230.A OD2 no hydrogen 2.772 N/A LYS 296.A NZ TYR 344.A O no hydrogen 2.887 N/A LYS 296.A NZ SER 345.A O.B no hydrogen 3.215 N/A LYS 296.A NZ SER 345.A OG.A no hydrogen 2.738 N/A ALA 297.A N CYS 293.A O no hydrogen 2.797 N/A ARG 298.A N TYR 294.A O no hydrogen 2.802 N/A ARG 298.A NE GLU 70.A OE1 no hydrogen 2.863 N/A ARG 298.A NH2 GLU 70.A OE1 no hydrogen 3.267 N/A ALA 299.A N ILE 295.A O no hydrogen 3.148 N/A ALA 300.A N LYS 296.A O no hydrogen 2.809 N/A CYS 301.A N ALA 297.A O no hydrogen 2.825 N/A CYS 301.A SG ALA 297.A O no hydrogen 3.360 N/A ARG 302.A N ARG 298.A O no hydrogen 3.417 N/A ARG 302.A NH2 GLU 70.A OE1 no hydrogen 3.531 N/A ARG 302.A NH2 GLU 70.A OE2 no hydrogen 2.833 N/A ALA 303.A N ALA 299.A O no hydrogen 3.000 N/A ALA 304.A N ALA 300.A O no hydrogen 2.851 N/A GLY 305.A N ARG 302.A O no hydrogen 3.109 N/A LEU 306.A N CYS 301.A O no hydrogen 3.175 N/A GLN 307.A NE2 GLY 305.A O no hydrogen 2.824 N/A THR 310.A N ILE 321.A O no hydrogen 2.716 N/A LEU 312.A N VAL 319.A O no hydrogen 2.902 N/A VAL 313.A N SER 188.A O no hydrogen 2.842 N/A CYS 314.A N ASP 317.A O no hydrogen 2.942 N/A GLY 315.A N THR 290.A OG1 no hydrogen 2.838 N/A ASP 317.A N CYS 314.A O no hydrogen 2.861 N/A VAL 319.A N LEU 312.A O no hydrogen 3.071 N/A VAL 320.A N PHE 215.A O no hydrogen 2.953 N/A ILE 321.A N THR 310.A O no hydrogen 2.869 N/A CYS 322.A N MET 213.A O no hydrogen 2.781 N/A CYS 322.A SG MET 213.A O no hydrogen 3.665 N/A GLU 323.A N GLN 307.A O no hydrogen 2.929 N/A SER 324.A N SER 211.A O no hydrogen 2.754 N/A SER 324.A OG ASP 330.A OD1 no hydrogen 3.565 N/A SER 324.A OG ASP 330.A OD2 no hydrogen 2.572 N/A ALA 325.A N ASP 330.A OD1 no hydrogen 2.808 N/A GLY 326.A N SER 324.A OG no hydrogen 3.079 N/A GLU 329.A N GLU 329.A OE2 no hydrogen 2.702 N/A ASP 330.A N GLY 326.A O no hydrogen 2.802 N/A ALA 331.A N VAL 327.A O no hydrogen 3.010 N/A ALA 332.A N GLN 328.A O no hydrogen 2.986 N/A SER 333.A N GLU 329.A O no hydrogen 2.839 N/A SER 333.A OG GLU 329.A O no hydrogen 3.487 N/A SER 333.A OG ASP 330.A O no hydrogen 2.753 N/A LEU 334.A N.A ASP 330.A O no hydrogen 2.977 N/A LEU 334.A N.B ASP 330.A O no hydrogen 2.980 N/A ARG 335.A N ALA 331.A O no hydrogen 3.163 N/A ALA 336.A N ALA 332.A O no hydrogen 3.062 N/A PHE 337.A N SER 333.A O no hydrogen 2.854 N/A THR 338.A N LEU 334.A O.A no hydrogen 2.991 N/A THR 338.A N LEU 334.A O.B no hydrogen 2.831 N/A THR 338.A OG1 LEU 334.A O.A no hydrogen 2.877 N/A THR 338.A OG1 LEU 334.A O.B no hydrogen 3.030 N/A GLU 339.A N.A ARG 335.A O no hydrogen 2.934 N/A GLU 339.A N.B ARG 335.A O no hydrogen 2.923 N/A ALA 340.A N ALA 336.A O no hydrogen 2.951 N/A MET 341.A N PHE 337.A O no hydrogen 2.924 N/A THR 342.A N THR 338.A O no hydrogen 2.842 N/A THR 342.A OG1 THR 338.A O no hydrogen 2.716 N/A ARG 343.A N GLU 339.A O.A no hydrogen 2.894 N/A ARG 343.A N GLU 339.A O.B no hydrogen 2.993 N/A TYR 344.A N ALA 340.A O no hydrogen 2.981 N/A TYR 344.A OH ASP 61.A OD1 no hydrogen 2.731 N/A TYR 344.A OH ASP 61.A OD2 no hydrogen 3.281 N/A SER 345.A N.A THR 342.A O no hydrogen 2.897 N/A SER 345.A N.B THR 342.A O no hydrogen 2.908 N/A SER 345.A OG.A THR 225.A O no hydrogen 2.625 N/A SER 345.A OG.A TYR 344.A O no hydrogen 2.691 N/A SER 345.A OG.B THR 225.A O no hydrogen 2.830 N/A ALA 346.A N MET 341.A O no hydrogen 2.775 N/A GLY 349.A N ASP 218.A O no hydrogen 2.838 N/A ASP 350.A N ASP 218.A OD2 no hydrogen 3.195 N/A GLN 353.A NE2 PRO 351.A O no hydrogen 3.598 N/A GLU 355.A N GLY 214.A O no hydrogen 2.810 N/A TYR 356.A OH ASP 330.A OD2 no hydrogen 2.607 N/A LEU 360.A N ASP 357.A O no hydrogen 3.095 N/A ILE 361.A N LEU 358.A O no hydrogen 3.179 N/A SER 363.A N SER 366.A O no hydrogen 2.860 N/A SER 363.A OG ASP 317.A OD2 no hydrogen 2.577 N/A CYS 364.A N ASP 317.A OD1 no hydrogen 2.679 N/A SER 366.A N SER 363.A O no hydrogen 2.908 N/A SER 366.A OG CYS 364.A O no hydrogen 2.945 N/A ASN 367.A N THR 383.A O no hydrogen 2.903 N/A ASN 367.A ND2 VAL 368.A O no hydrogen 3.104 N/A SER 369.A N TYR 381.A O no hydrogen 2.859 N/A ALA 371.A N VAL 379.A O no hydrogen 2.919 N/A HIS 372.A N HIS 473.A O no hydrogen 2.870 N/A HIS 372.A ND1 SER 474.A O.A no hydrogen 2.932 N/A HIS 372.A ND1 SER 474.A O.B no hydrogen 2.939 N/A ASP 373.A N LYS 377.A O no hydrogen 2.948 N/A ALA 375.A N ASP 373.A OD1 no hydrogen 2.868 N/A GLY 376.A N ASP 373.A O no hydrogen 3.297 N/A LYS 377.A N ASP 373.A OD1 no hydrogen 3.006 N/A ARG 378.A NH2 TYR 380.A OH no hydrogen 2.997 N/A VAL 379.A N ALA 371.A O no hydrogen 2.788 N/A TYR 381.A N SER 369.A O no hydrogen 3.012 N/A THR 383.A N ASN 367.A O no hydrogen 2.938 N/A THR 383.A OG1 ARG 384.A O no hydrogen 3.476 N/A THR 383.A OG1 GLU 479.A OE2 no hydrogen 2.716 N/A ARG 384.A NE ASP 385.A O no hydrogen 2.949 N/A THR 387.A N ASP 385.A OD1 no hydrogen 2.913 N/A THR 387.A OG1 ASP 385.A OD1 no hydrogen 2.618 N/A LEU 390.A N PRO 386.A O no hydrogen 2.862 N/A ALA 391.A N THR 387.A O no hydrogen 2.894 N/A ARG 392.A N THR 388.A O no hydrogen 2.940 N/A ARG 392.A NE VAL 144.A O no hydrogen 2.758 N/A ARG 392.A NH2 VAL 144.A O no hydrogen 3.112 N/A ALA 393.A N PRO 389.A O no hydrogen 2.879 N/A ALA 394.A N LEU 390.A O no hydrogen 2.972 N/A TRP 395.A N ALA 391.A O no hydrogen 3.136 N/A GLU 396.A N ARG 392.A O no hydrogen 2.864 N/A THR 397.A N ALA 393.A O no hydrogen 3.002 N/A THR 397.A N ALA 394.A O no hydrogen 3.140 N/A THR 397.A OG1 ALA 393.A O no hydrogen 2.852 N/A THR 397.A OG1 HIS 426.A NE2 no hydrogen 2.924 N/A ALA 398.A N ALA 394.A O no hydrogen 3.071 N/A ARG 399.A N TRP 395.A O no hydrogen 2.896 N/A ARG 399.A NE GLU 18.A OE2 no hydrogen 3.161 N/A ARG 399.A NH1 GLU 18.A OE1 no hydrogen 3.279 N/A ARG 399.A NH2 ALA 398.A O no hydrogen 2.812 N/A THR 401.A OG1 VAL 403.A O no hydrogen 3.030 N/A ASN 404.A N ASP 442.A O no hydrogen 2.843 N/A ASN 404.A ND2 ASP 442.A O no hydrogen 3.330 N/A SER 405.A N GLU 396.A OE2 no hydrogen 2.927 N/A SER 405.A OG GLU 396.A OE1 no hydrogen 3.201 N/A SER 405.A OG GLU 396.A OE2 no hydrogen 2.668 N/A TRP 406.A N GLU 396.A OE1 no hydrogen 2.931 N/A LEU 407.A N ASN 404.A O no hydrogen 3.314 N/A ASN 409.A N SER 405.A O no hydrogen 2.780 N/A ILE 410.A N TRP 406.A O no hydrogen 2.966 N/A ILE 411.A N LEU 407.A O no hydrogen 3.022 N/A MET 412.A N GLY 408.A O no hydrogen 2.868 N/A PHE 413.A N ASN 409.A O no hydrogen 2.796 N/A THR 416.A N PHE 413.A O no hydrogen 2.919 N/A THR 416.A OG1 PHE 413.A O no hydrogen 2.744 N/A TRP 418.A NE1 THR 383.A OG1 no hydrogen 3.068 N/A ALA 419.A N THR 416.A OG1 no hydrogen 3.045 N/A ARG 420.A N THR 416.A O no hydrogen 3.108 N/A ARG 420.A NH1 LEU 472.A O no hydrogen 2.862 N/A ARG 420.A NH1 TYR 475.A OH no hydrogen 3.025 N/A MET 421.A N LEU 417.A O.A no hydrogen 2.896 N/A MET 421.A N LEU 417.A O.B no hydrogen 2.966 N/A ILE 422.A N TRP 418.A O no hydrogen 3.040 N/A LEU 423.A N TRP 418.A O no hydrogen 3.205 N/A MET 424.A N ALA 419.A O no hydrogen 2.862 N/A THR 425.A OG1 MET 421.A O no hydrogen 2.727 N/A HIS 426.A N ILE 422.A O no hydrogen 2.868 N/A HIS 426.A NE2 THR 397.A OG1 no hydrogen 2.924 N/A PHE 427.A N LEU 423.A O no hydrogen 2.913 N/A PHE 428.A N MET 424.A O no hydrogen 3.002 N/A SER 429.A N.A THR 425.A O no hydrogen 3.121 N/A SER 429.A N.B THR 425.A O no hydrogen 3.112 N/A SER 429.A OG.B THR 425.A O no hydrogen 2.613 N/A VAL 430.A N HIS 426.A O no hydrogen 2.893 N/A LEU 431.A N PHE 427.A O no hydrogen 2.833 N/A ILE 432.A N PHE 428.A O no hydrogen 2.950 N/A ALA 433.A N SER 429.A O.A no hydrogen 3.073 N/A ALA 433.A N SER 429.A O.B no hydrogen 2.857 N/A ARG 434.A N VAL 430.A O no hydrogen 2.921 N/A ARG 434.A NH1 THR 397.A O no hydrogen 3.200 N/A ARG 434.A NH2 THR 397.A O no hydrogen 2.893 N/A ASP 435.A N ILE 432.A O no hydrogen 3.160 N/A GLN 436.A N LEU 431.A O no hydrogen 2.751 N/A GLN 439.A N GLN 436.A O no hydrogen 3.083 N/A LEU 441.A N ILE 452.A O no hydrogen 2.838 N/A CYS 443.A N TYR 450.A O no hydrogen 2.904 N/A CYS 443.A SG TYR 450.A O no hydrogen 4.011 N/A ILE 445.A N.A ALA 448.A O no hydrogen 2.950 N/A ILE 445.A N.B ALA 448.A O no hydrogen 2.953 N/A TYR 446.A OH TYR 193.A O no hydrogen 2.619 N/A ALA 448.A N ILE 445.A O.A no hydrogen 3.054 N/A ALA 448.A N ILE 445.A O.B no hydrogen 3.306 N/A CYS 449.A N.A ILE 558.A O no hydrogen 2.825 N/A CYS 449.A SG.A CYS 443.A O no hydrogen 3.854 N/A TYR 450.A N CYS 443.A O no hydrogen 2.721 N/A ILE 452.A N LEU 441.A O no hydrogen 2.855 N/A ASP 456.A N GLU 453.A O no hydrogen 2.807 N/A LEU 457.A N PRO 454.A O no hydrogen 3.024 N/A ILE 460.A N ASP 456.A O no hydrogen 3.261 N/A ILE 461.A N LEU 457.A O no hydrogen 2.782 N/A GLN 462.A N PRO 458.A O no hydrogen 2.979 N/A ARG 463.A N PRO 459.A O no hydrogen 3.029 N/A ARG 463.A NH2 ALA 540.A O no hydrogen 2.898 N/A ARG 463.A NH2 LEU 543.A O no hydrogen 2.839 N/A LEU 464.A N ILE 460.A O no hydrogen 2.980 N/A HIS 465.A N ILE 461.A O no hydrogen 2.861 N/A HIS 465.A NE2 ILE 411.A O no hydrogen 2.719 N/A GLY 466.A N GLN 462.A O no hydrogen 2.835 N/A ALA 469.A N GLY 466.A O no hydrogen 3.114 N/A PHE 470.A N LEU 467.A O no hydrogen 3.279 N/A SER 471.A N SER 468.A O no hydrogen 2.902 N/A HIS 473.A N HIS 372.A O no hydrogen 2.867 N/A HIS 473.A NE2 ASP 373.A O no hydrogen 2.821 N/A SER 474.A OG.A HIS 473.A ND1 no hydrogen 2.886 N/A TYR 475.A OH PRO 415.A O no hydrogen 2.629 N/A GLU 479.A N SER 476.A OG no hydrogen 3.058 N/A ILE 480.A N SER 476.A O no hydrogen 2.939 N/A ASN 481.A N PRO 477.A O no hydrogen 2.844 N/A ARG 482.A N GLY 478.A O no hydrogen 2.998 N/A ARG 482.A NH1 ASN 367.A OD1 no hydrogen 3.362 N/A ARG 482.A NH2 ASN 367.A OD1 no hydrogen 2.901 N/A ARG 482.A NH2 GLU 479.A OE1 no hydrogen 2.996 N/A VAL 483.A N GLU 479.A O no hydrogen 2.990 N/A ALA 484.A N ILE 480.A O no hydrogen 2.862 N/A ALA 485.A N ASN 481.A O no hydrogen 2.966 N/A CYS 486.A N ARG 482.A O no hydrogen 3.111 N/A CYS 486.A SG THR 387.A OG1 no hydrogen 3.440 N/A LEU 487.A N VAL 483.A O no hydrogen 2.965 N/A ARG 488.A N ALA 484.A O no hydrogen 3.129 N/A LYS 489.A N ALA 485.A O no hydrogen 2.988 N/A LYS 489.A NZ THR 387.A OG1 no hydrogen 2.838 N/A LEU 490.A N CYS 486.A O no hydrogen 2.986 N/A VAL 492.A N LEU 487.A O no hydrogen 2.960 N/A ALA 497.A N PRO 494.A O no hydrogen 2.920 N/A TRP 498.A N PRO 494.A O no hydrogen 3.204 N/A ARG 499.A N LEU 495.A O no hydrogen 2.922 N/A HIS 500.A N ARG 496.A O no hydrogen 3.189 N/A ARG 501.A N ALA 497.A O no hydrogen 3.037 N/A ALA 502.A N TRP 498.A O no hydrogen 2.709 N/A ARG 503.A N ARG 499.A O no hydrogen 3.102 N/A ARG 503.A N HIS 500.A O no hydrogen 3.252 N/A ARG 503.A NH1 ALA 527.A O no hydrogen 3.053 N/A SER 504.A N.A ARG 501.A O no hydrogen 3.014 N/A SER 504.A N.B ARG 501.A O no hydrogen 2.995 N/A VAL 505.A N ARG 501.A O no hydrogen 3.086 N/A ARG 506.A N ALA 502.A O no hydrogen 2.824 N/A ALA 507.A N ARG 503.A O no hydrogen 3.196 N/A LYS 508.A N SER 504.A O.A no hydrogen 3.008 N/A LYS 508.A N SER 504.A O.B no hydrogen 3.143 N/A LEU 509.A N VAL 505.A O no hydrogen 2.929 N/A LEU 510.A N ARG 506.A O no hydrogen 2.885 N/A SER 511.A N ALA 507.A O no hydrogen 3.035 N/A SER 511.A OG LYS 508.A O no hydrogen 2.685 N/A ARG 512.A N LEU 509.A O no hydrogen 3.127 N/A GLY 513.A N LEU 510.A O no hydrogen 3.357 N/A ARG 515.A NH1 GLU 453.A OE1 no hydrogen 3.058 N/A ARG 515.A NH1 ASP 456.A OD1 no hydrogen 2.889 N/A ARG 515.A NH2 GLU 453.A OE1 no hydrogen 3.299 N/A ALA 517.A N GLY 513.A O no hydrogen 2.936 N/A ILE 518.A N GLY 514.A O no hydrogen 3.224 N/A CYS 519.A N ARG 515.A O no hydrogen 2.841 N/A CYS 519.A SG LEU 455.A O no hydrogen 3.749 N/A CYS 519.A SG ARG 515.A O no hydrogen 3.515 N/A GLY 520.A N ALA 516.A O no hydrogen 2.925 N/A LYS 521.A N ALA 517.A O no hydrogen 2.877 N/A TYR 522.A N ILE 518.A O no hydrogen 2.944 N/A TYR 522.A OH THR 535.A O no hydrogen 2.535 N/A LEU 523.A N CYS 519.A O no hydrogen 2.914 N/A ASN 525.A ND2 LEU 532.A O no hydrogen 2.963 N/A ALA 527.A N PHE 524.A O no hydrogen 3.010 N/A VAL 528.A N ASN 525.A O no hydrogen 3.342 N/A LYS 531.A NZ ASN 525.A O no hydrogen 2.969 N/A LYS 531.A NZ VAL 528.A O no hydrogen 2.903 N/A LEU 532.A N ASN 525.A OD1 no hydrogen 3.014 N/A ILE 537.A N GLN 462.A OE1 no hydrogen 2.784 N/A ALA 540.A N ILE 537.A O no hydrogen 2.965 N/A GLN 542.A N ALA 539.A O no hydrogen 3.080 N/A LEU 543.A N ALA 539.A O no hydrogen 3.235 N/A LEU 543.A N ALA 540.A O no hydrogen 3.297 N/A SER 546.A N ASP 544.A OD1 no hydrogen 2.992 N/A SER 546.A OG ASP 544.A OD1 no hydrogen 2.710 N/A TRP 548.A N LEU 545.A O no hydrogen 3.086 N/A GLY 552.A N TYR 189.A OH no hydrogen 2.975 N/A TYR 553.A N TYR 446.A O no hydrogen 2.959 N/A TYR 553.A OH SER 178.A OG no hydrogen 2.677 N/A GLY 556.A N TYR 553.A O no hydrogen 2.821 N/A TYR 559.A N LEU 91.A O no hydrogen 2.747 N/A HIS 560.A N CYS 449.A O.A no hydrogen 2.789 N/A HIS 560.A ND1 TYR 450.A OH no hydrogen 2.775 N/A HIS 560.A NE2 TYR 174.A OH no hydrogen 2.676 N/A