Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A N ASP 1.A O no hydrogen 2.585 N/A SER 5.A N.A ARG 26.A O no hydrogen 2.953 N/A SER 5.A N.B ARG 26.A O no hydrogen 2.961 N/A SER 5.A OG.B ASP 28.A OD1 no hydrogen 2.774 N/A ALA 7.A N LEU 24.A O no hydrogen 2.915 N/A ASN 9.A N ASP 23.A OD1 no hydrogen 3.093 N/A VAL 10.A N VAL 22.A O no hydrogen 2.873 N/A VAL 12.A N LEU 20.A O no hydrogen 2.769 N/A MET 14.A N VAL 18.A O no hydrogen 2.831 N/A ARG 15.A N ASP 94.A OD2 no hydrogen 2.891 N/A ARG 15.A NE ASP 94.A OD1 no hydrogen 3.254 N/A ARG 15.A NE ASP 94.A OD2 no hydrogen 2.895 N/A ARG 15.A NH2 GLU 93.A OE1 no hydrogen 2.989 N/A ARG 15.A NH2 ASP 94.A OD1 no hydrogen 2.896 N/A GLY 17.A N MET 14.A O no hydrogen 2.925 N/A VAL 18.A N ASP 16.A OD1 no hydrogen 3.266 N/A ARG 19.A N GLU 79.A OE1 no hydrogen 3.003 N/A ARG 19.A NE GLU 79.A OE2 no hydrogen 3.108 N/A ARG 19.A NH2 GLU 79.A OE2 no hydrogen 3.312 N/A LEU 20.A N VAL 12.A O no hydrogen 2.936 N/A ALA 21.A N SER 78.A OG no hydrogen 2.844 N/A VAL 22.A N VAL 10.A O no hydrogen 2.875 N/A ASP 23.A N ILE 69.A O no hydrogen 2.898 N/A LEU 24.A N ALA 7.A O no hydrogen 2.874 N/A TYR 25.A N VAL 67.A O no hydrogen 2.788 N/A ARG 26.A N SER 5.A O.A no hydrogen 2.937 N/A ARG 26.A N SER 5.A O.B no hydrogen 2.916 N/A ASP 28.A N ASN 3.A O no hydrogen 2.966 N/A GLY 31.A N ASP 30.A OD1.B no hydrogen 2.759 N/A VAL 33.A N TRP 104.A O no hydrogen 2.815 N/A VAL 35.A N ASN 108.A O no hydrogen 2.954 N/A LEU 36.A N ALA 66.A O no hydrogen 2.823 N/A LEU 37.A N GLY 110.A O no hydrogen 2.820 N/A VAL 38.A N VAL 68.A O no hydrogen 2.900 N/A ARG 39.A NE GLN 70.A OE1 no hydrogen 2.749 N/A ARG 39.A NH1 ASP 88.A OD1 no hydrogen 2.906 N/A ARG 39.A NH2 GLN 70.A OE1 no hydrogen 2.989 N/A ASN 40.A N GLN 70.A O no hydrogen 2.947 N/A TYR 42.A N ASN 40.A OD1 no hydrogen 2.815 N/A LYS 44.A N ASP 71.A OD1 no hydrogen 2.767 N/A LYS 44.A NZ ASN 9.A OD1 no hydrogen 2.632 N/A LYS 44.A NZ ASP 23.A OD1 no hydrogen 2.858 N/A PHE 45.A N ASP 43.A OD1 no hydrogen 3.023 N/A ASP 46.A N ASP 43.A O no hydrogen 2.875 N/A VAL 47.A N PHE 45.A O no hydrogen 2.977 N/A SER 51.A N VAL 47.A O no hydrogen 3.184 N/A SER 51.A OG VAL 47.A O no hydrogen 2.609 N/A THR 52.A OG1 GLN 53.A OE1 no hydrogen 2.682 N/A GLN 53.A N TRP 50.A O no hydrogen 2.961 N/A GLN 53.A NE2 ALA 49.A O no hydrogen 2.955 N/A SER 54.A N SER 51.A O no hydrogen 2.955 N/A SER 54.A OG THR 55.A OG1 no hydrogen 3.110 N/A THR 55.A N SER 51.A O no hydrogen 3.163 N/A THR 55.A OG1 SER 54.A OG no hydrogen 3.110 N/A ASN 56.A N THR 309.A OG1 no hydrogen 2.788 N/A TRP 57.A NE1 SER 51.A OG no hydrogen 2.826 N/A GLU 59.A N.A ASN 56.A O no hydrogen 2.986 N/A GLU 59.A N.B ASN 56.A O no hydrogen 2.990 N/A PHE 60.A N TRP 57.A O no hydrogen 2.872 N/A VAL 61.A N TRP 57.A O no hydrogen 3.436 N/A ARG 62.A N LEU 58.A O no hydrogen 2.868 N/A ARG 62.A NH1 GLU 59.A OE1.B no hydrogen 2.689 N/A ASP 63.A N GLU 59.A O.A no hydrogen 3.000 N/A ASP 63.A N GLU 59.A O.B no hydrogen 2.918 N/A GLY 64.A N VAL 61.A O no hydrogen 3.029 N/A TYR 65.A N PHE 60.A O no hydrogen 2.934 N/A TYR 65.A OH ASP 317.A OD1 no hydrogen 2.697 N/A ALA 66.A N PRO 34.A O no hydrogen 2.975 N/A VAL 67.A N TYR 25.A O no hydrogen 2.883 N/A VAL 68.A N LEU 36.A O no hydrogen 2.819 N/A ILE 69.A N ASP 23.A O no hydrogen 3.048 N/A GLN 70.A N VAL 38.A O no hydrogen 2.913 N/A GLN 70.A NE2 THR 95.A OG1 no hydrogen 2.847 N/A ASP 71.A N ALA 21.A O no hydrogen 2.946 N/A THR 72.A N ASN 40.A O no hydrogen 3.130 N/A ARG 73.A NE ASP 91.A OD2 no hydrogen 2.883 N/A ARG 73.A NH1 ASP 16.A OD2 no hydrogen 2.841 N/A ARG 73.A NH2 ASP 16.A OD1 no hydrogen 3.179 N/A ARG 73.A NH2 ASP 16.A OD2 no hydrogen 3.499 N/A ARG 73.A NH2 ASP 91.A OD1 no hydrogen 2.859 N/A GLY 74.A N GLU 79.A O no hydrogen 2.906 N/A LEU 75.A N THR 72.A O no hydrogen 3.213 N/A PHE 76.A N SER 175.A OG no hydrogen 2.925 N/A ALA 77.A N ASP 71.A OD2 no hydrogen 3.014 N/A SER 78.A N LEU 75.A O no hydrogen 3.016 N/A SER 78.A OG ASP 71.A O no hydrogen 2.608 N/A GLU 79.A N ARG 19.A O no hydrogen 2.939 N/A HIS 85.A N TYR 116.A OH no hydrogen 3.090 N/A VAL 86.A N PRO 84.A O no hydrogen 2.797 N/A ASP 88.A N HIS 85.A O no hydrogen 3.321 N/A ASP 91.A N ASP 87.A O no hydrogen 2.922 N/A ALA 92.A N ASP 88.A O no hydrogen 3.018 N/A GLU 93.A N GLU 89.A O no hydrogen 3.012 N/A ASP 94.A N ALA 90.A O no hydrogen 2.964 N/A THR 95.A N ASP 91.A O no hydrogen 2.940 N/A THR 95.A OG1 ASP 91.A O no hydrogen 2.723 N/A LEU 96.A N ALA 92.A O no hydrogen 2.841 N/A SER 97.A N GLU 93.A O no hydrogen 2.993 N/A SER 97.A OG GLU 93.A O no hydrogen 2.952 N/A TRP 98.A N ASP 94.A O no hydrogen 2.980 N/A ILE 99.A N THR 95.A O no hydrogen 2.904 N/A LEU 100.A N LEU 96.A O no hydrogen 2.986 N/A GLU 101.A N SER 97.A O no hydrogen 3.221 N/A GLU 101.A N TRP 98.A O no hydrogen 3.113 N/A GLN 102.A N ILE 99.A O no hydrogen 3.002 N/A GLN 102.A NE2 TRP 98.A O no hydrogen 2.890 N/A CYS 105.A N GLN 102.A O no hydrogen 3.112 N/A ASP 106.A N VAL 33.A O no hydrogen 2.958 N/A ASN 108.A N ASP 106.A OD1 no hydrogen 3.061 N/A ASN 108.A ND2 ASP 106.A OD1 no hydrogen 3.052 N/A VAL 109.A N GLY 131.A O no hydrogen 2.874 N/A GLY 110.A N VAL 35.A O no hydrogen 2.780 N/A MET 111.A N ALA 134.A O no hydrogen 3.249 N/A SER 115.A N.A SER 138.A O.A no hydrogen 2.659 N/A SER 115.A N.A SER 138.A O.B no hydrogen 2.829 N/A SER 115.A N.B SER 138.A O.A no hydrogen 2.692 N/A SER 115.A N.B SER 138.A O.B no hydrogen 2.857 N/A SER 115.A OG.A HIS 285.A NE2.A no hydrogen 2.115 N/A SER 115.A OG.B HIS 285.A NE2.A no hydrogen 2.854 N/A TYR 116.A OH ASP 88.A OD2 no hydrogen 3.107 N/A LEU 117.A N VAL 114.A O no hydrogen 2.937 N/A GLY 118.A N SER 115.A O.A no hydrogen 2.723 N/A GLY 118.A N SER 115.A O.B no hydrogen 2.914 N/A VAL 119.A N.A SER 115.A O.A no hydrogen 2.828 N/A VAL 119.A N.A SER 115.A O.B no hydrogen 2.882 N/A VAL 119.A N.B SER 115.A O.A no hydrogen 2.850 N/A VAL 119.A N.B SER 115.A O.B no hydrogen 2.905 N/A THR 120.A N TYR 116.A O no hydrogen 3.132 N/A THR 120.A OG1 ARG 39.A O no hydrogen 3.555 N/A THR 120.A OG1 TYR 116.A O no hydrogen 2.996 N/A GLN 121.A N GLY 118.A O no hydrogen 3.045 N/A GLN 121.A NE2 LEU 117.A O no hydrogen 2.870 N/A GLN 121.A NE2 ALA 136.A O no hydrogen 3.150 N/A GLN 123.A N VAL 119.A O.A no hydrogen 3.200 N/A GLN 123.A N VAL 119.A O.B no hydrogen 3.249 N/A GLN 123.A NE2 HIS 85.A O no hydrogen 2.939 N/A ALA 124.A N THR 120.A O no hydrogen 3.040 N/A ALA 125.A N GLN 121.A O no hydrogen 2.868 N/A VAL 126.A N TRP 122.A O no hydrogen 3.285 N/A SER 127.A N ALA 124.A O no hydrogen 3.030 N/A SER 127.A OG ALA 124.A O no hydrogen 2.748 N/A VAL 129.A N SER 127.A OG no hydrogen 3.198 N/A LEU 132.A N VAL 129.A O no hydrogen 3.101 N/A LYS 133.A N.A VAL 109.A O no hydrogen 2.807 N/A LYS 133.A N.B VAL 109.A O no hydrogen 2.808 N/A LYS 133.A NZ.A GLY 130.A O no hydrogen 3.021 N/A LYS 133.A NZ.B ASN 108.A OD1 no hydrogen 2.619 N/A ILE 135.A N PRO 248.A O no hydrogen 2.979 N/A ALA 136.A N GLN 121.A OE1 no hydrogen 2.776 N/A SER 138.A N.A GLY 113.A O no hydrogen 3.028 N/A SER 138.A N.B GLY 113.A O no hydrogen 3.123 N/A SER 138.A OG.B GLY 113.A O no hydrogen 2.720 N/A MET 139.A N.A THR 252.A O no hydrogen 2.945 N/A MET 139.A N.B THR 252.A O no hydrogen 2.737 N/A SER 141.A OG ASP 143.A O no hydrogen 2.931 N/A SER 141.A OG ALA 147.A O no hydrogen 2.872 N/A ASP 143.A N SER 141.A OG no hydrogen 3.009 N/A TYR 145.A OH PRO 227.A O no hydrogen 2.733 N/A ARG 146.A N ASP 143.A OD1 no hydrogen 3.169 N/A ARG 146.A NE GLU 262.A OE2 no hydrogen 2.767 N/A ALA 147.A N ASP 143.A O no hydrogen 2.966 N/A TRP 149.A N LEU 144.A O no hydrogen 3.261 N/A TRP 149.A NE1 HIS 85.A NE2 no hydrogen 3.098 N/A TYR 150.A N TYR 145.A O no hydrogen 2.825 N/A TYR 150.A OH VAL 223.A O no hydrogen 2.652 N/A GLY 154.A N GLY 151.A O no hydrogen 3.135 N/A LEU 156.A N ASP 531.A OD1 no hydrogen 3.199 N/A SER 157.A N.A TRP 149.A O no hydrogen 2.800 N/A SER 157.A N.B TRP 149.A O no hydrogen 2.808 N/A SER 157.A OG.A TYR 150.A O no hydrogen 2.808 N/A SER 157.A OG.B LYS 529.A O.A no hydrogen 3.180 N/A SER 157.A OG.B LYS 529.A O.B no hydrogen 3.175 N/A GLU 159.A N PRO 528.A O no hydrogen 3.088 N/A LEU 161.A N SER 157.A O.A no hydrogen 3.052 N/A LEU 161.A N SER 157.A O.B no hydrogen 3.074 N/A LEU 162.A N VAL 158.A O no hydrogen 2.987 N/A GLY 163.A N GLU 159.A O no hydrogen 2.956 N/A TRP 164.A N ALA 160.A O no hydrogen 2.963 N/A TRP 164.A NE1 TYR 42.A OH no hydrogen 2.843 N/A SER 165.A N LEU 161.A O no hydrogen 2.994 N/A SER 165.A OG LEU 161.A O no hydrogen 2.645 N/A ALA 166.A N LEU 162.A O no hydrogen 2.981 N/A LEU 167.A N.A GLY 163.A O no hydrogen 3.013 N/A LEU 167.A N.B GLY 163.A O no hydrogen 3.029 N/A ILE 168.A N TRP 164.A O no hydrogen 2.888 N/A GLY 169.A N SER 165.A O no hydrogen 2.821 N/A THR 170.A N ALA 166.A O no hydrogen 3.001 N/A THR 170.A OG1 ALA 166.A O no hydrogen 2.896 N/A GLY 171.A N LEU 167.A O.A no hydrogen 3.134 N/A GLY 171.A N LEU 167.A O.B no hydrogen 3.163 N/A LEU 172.A N ILE 168.A O no hydrogen 2.577 N/A ILE 173.A N.A GLY 169.A O no hydrogen 3.026 N/A ILE 173.A N.B GLY 169.A O no hydrogen 3.041 N/A THR 174.A N THR 170.A O no hydrogen 3.124 N/A THR 174.A OG1 THR 170.A O no hydrogen 3.028 N/A SER 175.A N GLY 171.A O no hydrogen 2.788 N/A SER 175.A OG GLY 171.A O no hydrogen 3.062 N/A ARG 176.A N ILE 173.A O.A no hydrogen 3.153 N/A ARG 176.A N ILE 173.A O.B no hydrogen 3.355 N/A ARG 176.A NE ASP 183.A OD1 no hydrogen 3.173 N/A ARG 180.A N ASP 183.A OD2 no hydrogen 2.802 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.661 N/A ASP 183.A N ARG 180.A O no hydrogen 3.080 N/A ASP 186.A N GLU 182.A O no hydrogen 2.985 N/A PHE 187.A N ASP 183.A O no hydrogen 2.870 N/A VAL 188.A N ALA 184.A O no hydrogen 3.171 N/A GLN 189.A N ALA 185.A O no hydrogen 3.056 N/A GLN 189.A NE2 ALA 185.A O no hydrogen 3.427 N/A LEU 190.A N ASP 186.A O no hydrogen 2.910 N/A ALA 191.A N PHE 187.A O no hydrogen 2.961 N/A ALA 192.A N VAL 188.A O no hydrogen 3.010 N/A ILE 193.A N GLN 189.A O no hydrogen 3.150 N/A LEU 194.A N LEU 190.A O no hydrogen 3.062 N/A ASN 195.A N ALA 191.A O no hydrogen 2.907 N/A ASP 196.A N.A ILE 193.A O no hydrogen 3.017 N/A ASP 196.A N.B ILE 193.A O no hydrogen 2.990 N/A GLY 199.A N ASP 196.A OD1.A no hydrogen 3.018 N/A GLY 199.A N ASP 196.A OD2.B no hydrogen 3.025 N/A ALA 200.A N ASP 196.A O.A no hydrogen 3.026 N/A ALA 200.A N ASP 196.A O.B no hydrogen 2.966 N/A ALA 201.A N VAL 197.A O no hydrogen 2.857 N/A SER 202.A N GLY 199.A O no hydrogen 3.148 N/A SER 202.A OG ALA 198.A O no hydrogen 2.743 N/A THR 204.A OG1 GLN 544.A OE1 no hydrogen 3.277 N/A ALA 207.A N ALA 541.A O no hydrogen 2.941 N/A GLU 208.A N PRO 205.A O no hydrogen 3.255 N/A GLN 209.A NE2 LEU 206.A O no hydrogen 2.808 N/A GLY 213.A N GLN 209.A O no hydrogen 2.760 N/A ARG 214.A N LEU 211.A O no hydrogen 3.158 N/A ARG 214.A NH1 ASP 186.A OD2 no hydrogen 2.902 N/A ARG 214.A NH2 ASP 186.A OD1 no hydrogen 2.994 N/A LEU 215.A N LEU 211.A O no hydrogen 3.024 N/A ILE 216.A N.A LEU 212.A O no hydrogen 2.799 N/A ILE 216.A N.B LEU 212.A O no hydrogen 2.783 N/A VAL 219.A N.A ILE 216.A O.A no hydrogen 2.914 N/A VAL 219.A N.A ILE 216.A O.B no hydrogen 2.934 N/A VAL 219.A N.B ILE 216.A O.A no hydrogen 2.917 N/A VAL 219.A N.B ILE 216.A O.B no hydrogen 2.937 N/A ILE 220.A N PRO 217.A O no hydrogen 3.052 N/A ASP 221.A N PRO 217.A O no hydrogen 2.878 N/A GLN 222.A N TRP 218.A O no hydrogen 2.923 N/A GLN 222.A NE2 SER 232.A OG no hydrogen 2.901 N/A VAL 223.A N TRP 218.A O no hydrogen 3.214 N/A VAL 224.A N VAL 219.A O.A no hydrogen 2.996 N/A VAL 224.A N VAL 219.A O.B no hydrogen 3.113 N/A ASP 225.A N ILE 220.A O no hydrogen 2.934 N/A HIS 226.A N VAL 223.A O no hydrogen 3.299 N/A HIS 226.A ND1 ASP 230.A OD2 no hydrogen 2.713 N/A ASN 229.A N LEU 487.A O no hydrogen 2.823 N/A ASP 230.A N ASP 228.A O no hydrogen 2.768 N/A SER 232.A N ASP 230.A OD1 no hydrogen 3.101 N/A SER 232.A OG ASP 230.A OD1 no hydrogen 2.619 N/A TRP 233.A N ASP 230.A O no hydrogen 3.118 N/A TRP 233.A NE1 HIS 226.A O no hydrogen 2.857 N/A GLN 234.A N ASP 230.A O no hydrogen 3.131 N/A GLN 234.A NE2 ASN 229.A O no hydrogen 3.356 N/A SER 235.A N.A GLU 231.A O.A no hydrogen 3.124 N/A SER 235.A N.A GLU 231.A O.B no hydrogen 3.094 N/A SER 235.A N.B GLU 231.A O.A no hydrogen 3.129 N/A SER 235.A N.B GLU 231.A O.B no hydrogen 3.100 N/A SER 235.A OG.B GLU 231.A O.A no hydrogen 3.047 N/A SER 235.A OG.B GLU 231.A O.B no hydrogen 3.040 N/A ILE 236.A N TRP 233.A O no hydrogen 3.219 N/A SER 237.A N TRP 233.A O no hydrogen 3.095 N/A SER 237.A N GLN 234.A O no hydrogen 3.172 N/A SER 237.A OG ALA 142.A O no hydrogen 3.536 N/A LEU 238.A N ALA 142.A O no hydrogen 2.838 N/A PHE 239.A N SER 237.A OG no hydrogen 3.412 N/A ARG 241.A N LEU 238.A O no hydrogen 2.965 N/A ARG 241.A NH1 GLU 89.A OE1 no hydrogen 2.923 N/A ARG 241.A NH2 GLU 89.A OE1 no hydrogen 3.552 N/A ARG 241.A NH2 GLU 89.A OE2 no hydrogen 2.905 N/A ARG 241.A NH2 SER 237.A O no hydrogen 3.124 N/A LEU 242.A N PHE 239.A O no hydrogen 3.040 N/A GLY 244.A N ARG 241.A O no hydrogen 3.277 N/A LEU 245.A N LEU 242.A O no hydrogen 3.085 N/A ALA 249.A N ASP 275.A O no hydrogen 3.237 N/A LEU 250.A N ILE 135.A O no hydrogen 2.937 N/A ILE 251.A N ARG 277.A O no hydrogen 2.852 N/A THR 252.A N PRO 137.A O no hydrogen 3.274 N/A ALA 253.A N VAL 279.A O no hydrogen 2.865 N/A TRP 255.A N GLY 281.A O no hydrogen 2.825 N/A TRP 255.A NE1 PHE 336.A O no hydrogen 2.866 N/A TYR 256.A N TRP 283.A O no hydrogen 2.935 N/A TYR 256.A OH ALA 473.A O no hydrogen 2.592 N/A ASP 257.A N GLY 254.A O no hydrogen 3.011 N/A PHE 259.A N ASP 257.A OD1 no hydrogen 2.970 N/A VAL 260.A N ASP 257.A O no hydrogen 3.007 N/A SER 263.A N PHE 259.A O no hydrogen 2.780 N/A SER 263.A OG ALA 140.A O no hydrogen 2.714 N/A SER 263.A OG PHE 259.A O no hydrogen 3.085 N/A LEU 264.A N VAL 260.A O no hydrogen 2.981 N/A ARG 265.A N.A GLY 261.A O no hydrogen 3.073 N/A ARG 265.A N.B GLY 261.A O no hydrogen 3.065 N/A ARG 265.A NE.B GLU 262.A OE1 no hydrogen 3.230 N/A ARG 265.A NH1.B GLU 262.A OE1 no hydrogen 2.677 N/A THR 266.A N GLU 262.A O no hydrogen 3.082 N/A THR 266.A OG1 SER 263.A O no hydrogen 2.636 N/A PHE 267.A N SER 263.A O no hydrogen 3.389 N/A VAL 268.A N LEU 264.A O no hydrogen 3.186 N/A ALA 269.A N ARG 265.A O.A no hydrogen 2.975 N/A ALA 269.A N ARG 265.A O.B no hydrogen 2.953 N/A VAL 270.A N THR 266.A O no hydrogen 3.132 N/A VAL 270.A N PHE 267.A O no hydrogen 3.319 N/A LYS 271.A N PHE 267.A O no hydrogen 3.006 N/A LYS 271.A NZ ASP 348.A OD1 no hydrogen 2.993 N/A LYS 271.A NZ ASP 348.A OD2 no hydrogen 3.417 N/A LYS 271.A NZ TRP 349.A O no hydrogen 2.822 N/A ASN 273.A N VAL 270.A O no hydrogen 3.303 N/A ASN 273.A ND2 LEU 245.A O no hydrogen 3.446 N/A ARG 277.A N ALA 249.A O no hydrogen 2.914 N/A ARG 277.A NE ASP 275.A OD1 no hydrogen 2.841 N/A ARG 277.A NH1 VAL 330.A O no hydrogen 2.791 N/A ARG 277.A NH1 PRO 331.A O no hydrogen 3.195 N/A ARG 277.A NH2 ASP 275.A OD1 no hydrogen 3.285 N/A LEU 278.A N LYS 332.A O.A no hydrogen 2.949 N/A LEU 278.A N LYS 332.A O.B no hydrogen 2.936 N/A VAL 279.A N ILE 251.A O no hydrogen 2.941 N/A VAL 280.A N ARG 334.A O no hydrogen 2.976 N/A GLY 281.A N ALA 253.A O no hydrogen 3.141 N/A TRP 283.A NE1 ALA 301.A O no hydrogen 2.740 N/A SER 284.A N ASN 287.A O no hydrogen 3.079 N/A SER 284.A OG GLY 409.A O no hydrogen 2.717 N/A HIS 285.A NE2.A SER 115.A OG.A no hydrogen 2.115 N/A ASN 287.A N SER 284.A O no hydrogen 3.272 N/A ASN 287.A ND2 ARG 291.A O no hydrogen 2.891 N/A ASN 287.A ND2 ASP 410.A O no hydrogen 2.967 N/A THR 289.A N ASN 287.A OD1 no hydrogen 2.935 N/A THR 289.A OG1 ASN 287.A OD1 no hydrogen 2.679 N/A ARG 291.A N THR 289.A OG1 no hydrogen 2.952 N/A ASN 292.A N ARG 295.A O no hydrogen 2.857 N/A ASN 292.A ND2 ARG 295.A O no hydrogen 3.513 N/A ALA 293.A N ASN 411.A OD1 no hydrogen 3.373 N/A ARG 295.A N ASN 292.A O no hydrogen 3.382 N/A ARG 295.A NH1 ASP 341.A OD2 no hydrogen 2.906 N/A ARG 295.A NH2 ASP 341.A OD1 no hydrogen 2.884 N/A ARG 295.A NH2 ASP 341.A OD2 no hydrogen 3.354 N/A LYS 296.A NZ.B ASN 292.A O no hydrogen 2.768 N/A PHE 297.A N GLY 290.A O no hydrogen 2.917 N/A ALA 301.A N GLY 298.A O no hydrogen 2.933 N/A THR 302.A N ILE 299.A O no hydrogen 3.143 N/A THR 302.A OG1 THR 289.A O no hydrogen 3.003 N/A THR 302.A OG1 ILE 299.A O no hydrogen 3.162 N/A TYR 303.A N LEU 288.A O.A no hydrogen 2.900 N/A TYR 303.A N LEU 288.A O.B no hydrogen 2.921 N/A TYR 303.A OH SER 54.A O no hydrogen 2.635 N/A ALA 308.A N PRO 304.A O no hydrogen 2.789 N/A THR 309.A N ILE 305.A O no hydrogen 2.972 N/A THR 309.A OG1 ILE 305.A O no hydrogen 2.640 N/A THR 310.A N GLN 306.A O no hydrogen 3.014 N/A THR 310.A OG1 GLN 306.A O no hydrogen 3.176 N/A MET 311.A N GLU 307.A O no hydrogen 2.900 N/A HIS 312.A N ALA 308.A O no hydrogen 2.903 N/A HIS 312.A ND1 ALA 308.A O no hydrogen 2.778 N/A LYS 313.A N THR 309.A O no hydrogen 2.932 N/A LYS 313.A NZ ASP 63.A OD2 no hydrogen 2.582 N/A LYS 313.A NZ ASP 317.A OD2 no hydrogen 2.863 N/A ALA 314.A N THR 310.A O no hydrogen 3.005 N/A PHE 315.A N MET 311.A O no hydrogen 2.897 N/A PHE 316.A N HIS 312.A O no hydrogen 2.864 N/A ASP 317.A N LYS 313.A O no hydrogen 2.748 N/A ARG 318.A N ALA 314.A O no hydrogen 2.976 N/A ARG 318.A NH2 ARG 318.A O no hydrogen 2.993 N/A HIS 319.A N PHE 315.A O no hydrogen 3.112 N/A HIS 319.A NE2 ASP 275.A OD2 no hydrogen 2.746 N/A LEU 320.A N PHE 316.A O no hydrogen 2.738 N/A ARG 321.A N.A ASP 317.A O no hydrogen 3.235 N/A ARG 321.A N.B ASP 317.A O no hydrogen 3.240 N/A ARG 321.A NE.B ASP 317.A OD1 no hydrogen 3.198 N/A ARG 321.A NH1.A ASP 63.A O no hydrogen 3.482 N/A ARG 321.A NH1.A ASP 63.A OD2 no hydrogen 2.947 N/A ARG 321.A NH1.A ASP 317.A OD1 no hydrogen 3.083 N/A ARG 321.A NH2.A ASP 63.A O no hydrogen 2.691 N/A GLU 323.A N ASP 317.A O no hydrogen 3.124 N/A ALA 326.A N GLU 323.A O no hydrogen 2.949 N/A ALA 328.A N ASP 325.A O no hydrogen 3.064 N/A VAL 330.A N LEU 327.A O no hydrogen 3.032 N/A LYS 332.A NZ.A ASP 275.A OD1 no hydrogen 2.684 N/A LYS 332.A NZ.A ALA 276.A O no hydrogen 2.935 N/A LYS 332.A NZ.B ALA 276.A O no hydrogen 3.159 N/A VAL 333.A N GLU 346.A O no hydrogen 3.217 N/A ARG 334.A N LEU 278.A O no hydrogen 2.843 N/A ARG 334.A NH1 ASP 345.A OD1 no hydrogen 2.858 N/A LEU 335.A N ARG 344.A O no hydrogen 2.931 N/A PHE 336.A N VAL 280.A O no hydrogen 2.806 N/A VAL 337.A N GLU 342.A O no hydrogen 2.824 N/A MET 338.A N SER 509.A O no hydrogen 2.949 N/A GLY 339.A N ASP 341.A OD1 no hydrogen 2.850 N/A GLU 342.A N VAL 337.A O no hydrogen 3.126 N/A TRP 343.A NE1 ALA 300.A O no hydrogen 2.834 N/A ARG 344.A N LEU 335.A O no hydrogen 2.847 N/A ARG 344.A NE GLU 346.A OE2 no hydrogen 2.711 N/A ARG 344.A NH1 GLU 438.A OE1 no hydrogen 2.897 N/A ARG 344.A NH1 GLU 438.A OE2 no hydrogen 3.420 N/A ARG 344.A NH2 GLU 346.A OE2 no hydrogen 2.934 N/A ARG 344.A NH2 GLU 438.A OE1 no hydrogen 3.545 N/A ARG 344.A NH2 GLU 438.A OE2 no hydrogen 2.689 N/A GLU 346.A N VAL 333.A O no hydrogen 2.830 N/A TRP 349.A N ASP 348.A OD1 no hydrogen 2.914 N/A THR 354.A N LEU 351.A O no hydrogen 3.402 N/A THR 354.A OG1 LEU 351.A O no hydrogen 2.705 N/A ALA 355.A N ILE 569.A O no hydrogen 2.944 N/A THR 357.A N LEU 567.A O no hydrogen 2.843 N/A THR 357.A OG1 ALA 355.A O no hydrogen 2.860 N/A PHE 359.A N ILE 565.A O no hydrogen 2.772 N/A TYR 360.A N SER 377.A O no hydrogen 2.711 N/A LEU 361.A N SER 563.A O no hydrogen 2.996 N/A GLY 362.A N THR 375.A O no hydrogen 2.929 N/A ALA 367.A N ASP 387.A OD1 no hydrogen 2.895 N/A ASN 368.A ND2 THR 388.A O no hydrogen 2.879 N/A ASN 368.A ND2 ASP 423.A O no hydrogen 2.896 N/A THR 369.A N VAL 425.A O no hydrogen 2.841 N/A THR 369.A OG1 ASN 368.A O no hydrogen 2.547 N/A THR 369.A OG1 THR 371.A OG1 no hydrogen 3.216 N/A SER 370.A N HIS 420.A O no hydrogen 3.008 N/A THR 371.A N THR 369.A OG1 no hydrogen 3.252 N/A THR 371.A OG1 THR 369.A OG1 no hydrogen 3.216 N/A GLY 372.A N THR 369.A O no hydrogen 3.144 N/A GLY 373.A N ALA 366.A O no hydrogen 2.918 N/A THR 375.A N GLY 362.A O no hydrogen 2.852 N/A LEU 376.A N SER 429.A O.A no hydrogen 2.937 N/A LEU 376.A N SER 429.A O.B no hydrogen 3.085 N/A SER 377.A N TYR 360.A O no hydrogen 3.217 N/A SER 379.A N SER 377.A OG no hydrogen 3.023 N/A SER 381.A OG LEU 361.A O no hydrogen 2.745 N/A SER 385.A N.A ARG 557.A O no hydrogen 2.796 N/A SER 385.A N.B ARG 557.A O no hydrogen 2.810 N/A ASP 387.A N ILE 555.A O no hydrogen 2.898 N/A TYR 389.A N ASN 553.A O no hydrogen 2.974 N/A TYR 389.A OH SER 524.A OG no hydrogen 2.680 N/A TYR 391.A N ALA 551.A O no hydrogen 2.770 N/A TYR 391.A OH ASN 533.A O no hydrogen 2.805 N/A ALA 394.A N ASP 392.A OD1 no hydrogen 2.956 N/A ASP 395.A N ASP 392.A O no hydrogen 2.852 N/A VAL 397.A N SER 525.A OG no hydrogen 2.829 N/A SER 399.A N PHE 527.A O no hydrogen 2.875 N/A SER 399.A OG ASN 526.A OD1 no hydrogen 2.718 N/A GLY 402.A N GLY 412.A O no hydrogen 2.832 N/A LEU 405.A N GLU 159.A OE2 no hydrogen 2.901 N/A PHE 406.A N GLU 159.A OE1 no hydrogen 2.735 N/A HIS 407.A N GLU 159.A OE1 no hydrogen 2.903 N/A ALA 414.A N GLY 412.A O no hydrogen 2.829 N/A GLN 416.A N ALA 471.A O no hydrogen 2.762 N/A GLN 416.A NE2 LEU 400.A O.A no hydrogen 3.052 N/A GLN 416.A NE2 LEU 400.A O.B no hydrogen 2.921 N/A GLN 416.A NE2 ALA 414.A O no hydrogen 3.015 N/A ARG 417.A N ASP 415.A OD1 no hydrogen 3.103 N/A ARG 417.A NE ASP 415.A OD1 no hydrogen 3.401 N/A ARG 417.A NE ASP 415.A OD2 no hydrogen 2.955 N/A ARG 417.A NH2 ASP 415.A OD2 no hydrogen 2.908 N/A ILE 419.A N GLN 416.A O no hydrogen 2.992 N/A HIS 420.A N ARG 417.A O no hydrogen 3.161 N/A ARG 422.A N ILE 419.A O no hydrogen 3.225 N/A ARG 422.A NE ASP 424.A OD1 no hydrogen 2.867 N/A ARG 422.A NH1 ASP 395.A OD1 no hydrogen 3.041 N/A ARG 422.A NH2 ASP 395.A O no hydrogen 2.806 N/A ARG 422.A NH2 ASP 424.A OD1 no hydrogen 3.312 N/A ARG 422.A NH2 ASP 424.A OD2 no hydrogen 2.927 N/A VAL 425.A N ARG 422.A O no hydrogen 3.163 N/A LEU 426.A N VAL 522.A O no hydrogen 2.868 N/A CYS 427.A N ALA 367.A O no hydrogen 2.948 N/A CYS 427.A SG VAL 425.A O no hydrogen 3.956 N/A TYR 428.A N VAL 520.A O no hydrogen 2.933 N/A TYR 428.A OH ASP 387.A OD2 no hydrogen 2.702 N/A SER 429.A N.A GLY 374.A O no hydrogen 3.160 N/A SER 429.A N.B GLY 374.A O no hydrogen 3.181 N/A THR 430.A N ILE 518.A O no hydrogen 2.892 N/A THR 430.A OG1 GLU 431.A O.A no hydrogen 2.849 N/A THR 430.A OG1 GLU 431.A O.B no hydrogen 2.841 N/A THR 430.A OG1 ILE 518.A O no hydrogen 3.565 N/A LEU 433.A N HIS 516.A O no hydrogen 2.865 N/A THR 434.A OG1 ASP 435.A OD1.A no hydrogen 3.434 N/A VAL 437.A N PHE 512.A O no hydrogen 2.948 N/A VAL 439.A N ASN 510.A O no hydrogen 2.860 N/A THR 440.A N PRO 568.A O no hydrogen 2.977 N/A THR 440.A OG1 GLU 438.A OE2 no hydrogen 2.674 N/A THR 440.A OG1 SER 509.A OG no hydrogen 2.815 N/A GLY 441.A N THR 508.A O no hydrogen 2.981 N/A VAL 443.A N LEU 506.A O no hydrogen 2.910 N/A ALA 445.A N ILE 503.A O no hydrogen 2.887 N/A ARG 446.A N HIS 564.A O no hydrogen 2.838 N/A ARG 446.A NE GLU 500.A OE2 no hydrogen 3.128 N/A ARG 446.A NH2 GLU 500.A OE2 no hydrogen 3.177 N/A LEU 447.A N VAL 501.A O no hydrogen 2.904 N/A PHE 448.A N SER 563.A OG no hydrogen 2.912 N/A VAL 449.A N TYR 499.A O no hydrogen 2.825 N/A SER 450.A N ARG 554.A O.A no hydrogen 2.974 N/A SER 450.A N ARG 554.A O.B no hydrogen 3.053 N/A SER 450.A OG HIS 556.A NE2 no hydrogen 2.793 N/A SER 451.A OG ASN 553.A OD1 no hydrogen 2.694 N/A SER 452.A N VAL 552.A O no hydrogen 3.016 N/A ALA 453.A N SER 451.A OG no hydrogen 2.976 N/A THR 456.A OG1 ASN 535.A OD1 no hydrogen 2.793 N/A PHE 458.A N VAL 479.A O no hydrogen 2.907 N/A THR 459.A N SER 523.A O no hydrogen 2.756 N/A ALA 460.A N GLY 477.A O no hydrogen 3.092 N/A LYS 461.A N.A GLN 521.A O no hydrogen 2.880 N/A LYS 461.A N.B GLN 521.A O no hydrogen 2.880 N/A LYS 461.A NZ.A GLN 416.A OE1 no hydrogen 2.519 N/A LYS 461.A NZ.A GLN 521.A OE1 no hydrogen 2.959 N/A LYS 461.A NZ.B GLN 416.A OE1 no hydrogen 2.822 N/A LEU 462.A N CYS 475.A O.A no hydrogen 2.798 N/A LEU 462.A N CYS 475.A O.B no hydrogen 2.824 N/A VAL 463.A N MET 519.A O.A no hydrogen 2.837 N/A VAL 463.A N MET 519.A O.B no hydrogen 2.744 N/A ASP 464.A N ILE 472.A O no hydrogen 2.873 N/A VAL 465.A N ARG 517.A O no hydrogen 3.006 N/A PHE 466.A N ARG 470.A O no hydrogen 2.769 N/A GLY 469.A N PHE 466.A O no hydrogen 2.960 N/A ARG 470.A N ASP 468.A OD2 no hydrogen 3.008 N/A ARG 470.A NE ASP 468.A OD1 no hydrogen 3.175 N/A ARG 470.A NE ASP 468.A OD2 no hydrogen 3.087 N/A ARG 470.A NH1 ASP 294.A O no hydrogen 2.869 N/A ALA 471.A N ASP 415.A OD1 no hydrogen 2.992 N/A ILE 472.A N ASP 464.A O no hydrogen 2.864 N/A ALA 473.A N ALA 414.A O no hydrogen 3.072 N/A LEU 474.A N.A LEU 462.A O no hydrogen 2.855 N/A LEU 474.A N.B LEU 462.A O no hydrogen 2.812 N/A GLY 477.A N ALA 460.A O no hydrogen 2.933 N/A VAL 479.A N PHE 458.A O no hydrogen 2.805 N/A ARG 480.A N GLY 153.A O no hydrogen 2.923 N/A ARG 480.A NE ASP 457.A OD1 no hydrogen 2.853 N/A ARG 480.A NH1 ASP 531.A OD1 no hydrogen 2.838 N/A ARG 480.A NH2 ASP 457.A OD2 no hydrogen 2.812 N/A ARG 480.A NH2 ASP 531.A O no hydrogen 2.952 N/A ARG 480.A NH2 ASP 531.A OD1 no hydrogen 3.120 N/A MET 481.A N THR 456.A O no hydrogen 2.874 N/A ARG 482.A N ASP 455.A OD1 no hydrogen 2.862 N/A ARG 482.A NE ASP 455.A OD2 no hydrogen 2.860 N/A ARG 482.A NH1 GLY 538.A O no hydrogen 3.064 N/A ARG 482.A NH2 ASP 455.A OD2 no hydrogen 2.937 N/A ARG 482.A NH2 GLY 538.A O no hydrogen 2.938 N/A TYR 483.A N ARG 480.A O no hydrogen 2.819 N/A TYR 483.A OH ASP 228.A OD2 no hydrogen 2.596 N/A ARG 484.A N MET 481.A O no hydrogen 2.990 N/A ARG 484.A NH1 MET 481.A O no hydrogen 2.922 N/A ARG 484.A NH1 THR 491.A O no hydrogen 2.859 N/A ARG 484.A NH2 THR 491.A OG1 no hydrogen 3.170 N/A ARG 484.A NH2 LEU 492.A O no hydrogen 3.509 N/A VAL 488.A N THR 486.A OG1 no hydrogen 2.904 N/A ASN 489.A N THR 486.A OG1 no hydrogen 3.242 N/A THR 491.A N ARG 482.A O no hydrogen 3.107 N/A ILE 493.A N VAL 454.A O no hydrogen 2.972 N/A GLU 494.A N.A TYR 499.A OH no hydrogen 2.896 N/A GLU 494.A N.B TYR 499.A OH no hydrogen 2.863 N/A GLY 496.A N SER 451.A O no hydrogen 2.864 N/A GLU 497.A N GLU 494.A O.A no hydrogen 3.223 N/A GLU 497.A N GLU 494.A O.B no hydrogen 3.232 N/A TYR 499.A N VAL 449.A O no hydrogen 2.825 N/A VAL 501.A N LEU 447.A O no hydrogen 2.810 N/A ILE 503.A N ALA 445.A O no hydrogen 2.859 N/A MET 505.A N VAL 443.A O no hydrogen 2.883 N/A LEU 506.A N ASP 504.A OD1 no hydrogen 2.934 N/A THR 508.A N GLY 441.A O no hydrogen 3.096 N/A SER 509.A OG THR 440.A OG1 no hydrogen 2.815 N/A ASN 510.A N VAL 439.A O no hydrogen 2.850 N/A ASN 510.A ND2 ASP 464.A OD2 no hydrogen 3.039 N/A VAL 511.A N MET 338.A O no hydrogen 2.787 N/A PHE 512.A N VAL 437.A O no hydrogen 2.866 N/A GLY 515.A N LEU 433.A O no hydrogen 2.839 N/A HIS 516.A N LEU 513.A O no hydrogen 3.014 N/A HIS 516.A ND1 ASP 464.A OD1 no hydrogen 2.562 N/A ARG 517.A N VAL 465.A O no hydrogen 3.030 N/A ARG 517.A NH1 THR 430.A O no hydrogen 2.913 N/A ILE 518.A N THR 430.A OG1 no hydrogen 3.059 N/A MET 519.A N.A VAL 463.A O no hydrogen 2.942 N/A MET 519.A N.B VAL 463.A O no hydrogen 2.975 N/A VAL 520.A N TYR 428.A O no hydrogen 2.805 N/A GLN 521.A N LYS 461.A O.A no hydrogen 2.863 N/A GLN 521.A N LYS 461.A O.B no hydrogen 2.901 N/A GLN 521.A NE2 GLN 416.A OE1 no hydrogen 3.683 N/A VAL 522.A N LEU 426.A O no hydrogen 2.780 N/A SER 523.A N THR 459.A O no hydrogen 3.176 N/A SER 523.A OG ASP 424.A O no hydrogen 2.595 N/A SER 524.A OG TYR 389.A OH no hydrogen 2.680 N/A SER 524.A OG ASP 457.A O no hydrogen 2.710 N/A PHE 527.A N VAL 397.A O no hydrogen 2.940 N/A LYS 529.A N.A SER 399.A OG no hydrogen 2.922 N/A LYS 529.A N.B SER 399.A OG no hydrogen 2.929 N/A LYS 529.A NZ.A THR 403.A O no hydrogen 2.984 N/A LYS 529.A NZ.A THR 403.A OG1 no hydrogen 2.901 N/A LYS 529.A NZ.B SER 157.A OG.B no hydrogen 2.422 N/A LYS 529.A NZ.B LYS 529.A O.B no hydrogen 3.060 N/A TYR 530.A N ASN 526.A O no hydrogen 2.884 N/A ASP 531.A N LEU 156.A O no hydrogen 2.854 N/A ARG 532.A NH1 PRO 393.A O no hydrogen 2.927 N/A ARG 532.A NH2 SER 202.A O no hydrogen 3.250 N/A ASN 533.A ND2 ASP 455.A OD2 no hydrogen 2.955 N/A ASN 533.A ND2 ASP 457.A OD1 no hydrogen 2.840 N/A SER 534.A OG THR 536.A OG1 no hydrogen 2.989 N/A SER 534.A OG GLU 543.A OE2 no hydrogen 2.591 N/A ASN 535.A N ASN 533.A OD1 no hydrogen 2.835 N/A ASN 535.A ND2 TYR 391.A O no hydrogen 3.580 N/A ASN 535.A ND2 CYS 549.A O no hydrogen 2.863 N/A THR 536.A OG1 SER 534.A OG no hydrogen 2.989 N/A THR 536.A OG1 GLU 543.A OE1 no hydrogen 2.515 N/A THR 536.A OG1 GLU 543.A OE2 no hydrogen 3.258 N/A GLY 538.A N THR 536.A OG1 no hydrogen 2.937 N/A ARG 542.A N VAL 539.A O no hydrogen 2.919 N/A ARG 542.A NH2 ASP 225.A OD1 no hydrogen 2.962 N/A GLU 543.A N ILE 540.A O no hydrogen 3.238 N/A GLN 544.A N GLU 547.A OE2 no hydrogen 2.751 N/A LEU 545.A N THR 204.A OG1 no hydrogen 3.057 N/A GLU 547.A N GLN 544.A O no hydrogen 3.084 N/A MET 548.A N LEU 545.A O no hydrogen 3.024 N/A CYS 549.A N SER 534.A O no hydrogen 2.968 N/A ALA 551.A N TYR 391.A O no hydrogen 2.914 N/A VAL 552.A N SER 452.A OG no hydrogen 2.859 N/A ASN 553.A N TYR 389.A O no hydrogen 2.872 N/A ASN 553.A ND2 THR 456.A OG1 no hydrogen 3.049 N/A ASN 553.A ND2 SER 524.A OG no hydrogen 2.905 N/A ARG 554.A N.A SER 450.A O no hydrogen 2.887 N/A ARG 554.A N.B SER 450.A O no hydrogen 2.870 N/A ARG 554.A NE.B THR 388.A OG1 no hydrogen 2.674 N/A ILE 555.A N ASP 387.A O no hydrogen 2.872 N/A HIS 556.A N PHE 448.A O no hydrogen 2.837 N/A HIS 556.A NE2 SER 450.A OG no hydrogen 2.793 N/A ARG 557.A N SER 385.A O.A no hydrogen 2.973 N/A ARG 557.A N SER 385.A O.B no hydrogen 2.939 N/A ARG 557.A NE ASP 387.A OD2 no hydrogen 2.742 N/A ARG 557.A NH1 GLY 363.A O no hydrogen 2.779 N/A ARG 557.A NH2 GLY 363.A O no hydrogen 3.526 N/A ARG 557.A NH2 GLY 365.A O no hydrogen 2.937 N/A ARG 557.A NH2 ASP 387.A OD1 no hydrogen 3.011 N/A ARG 557.A NH2 ASP 387.A OD2 no hydrogen 3.423 N/A GLY 558.A N HIS 561.A O no hydrogen 3.105 N/A GLU 560.A N GLU 384.A OE2 no hydrogen 2.541 N/A HIS 561.A ND1 GLU 384.A OE1 no hydrogen 3.245 N/A SER 563.A N HIS 561.A O no hydrogen 2.796 N/A SER 563.A OG HIS 556.A O no hydrogen 2.622 N/A HIS 564.A N ARG 446.A O no hydrogen 2.887 N/A HIS 564.A ND1 PRO 562.A O no hydrogen 2.804 N/A ILE 565.A N PHE 359.A O no hydrogen 2.945 N/A VAL 566.A N SER 444.A O no hydrogen 2.736 N/A LEU 567.A N THR 357.A O no hydrogen 2.870 N/A ILE 569.A N ALA 355.A O no hydrogen 2.884 N/A ILE 570.A N GLU 438.A O no hydrogen 2.969 N/A ARG 572.A NH1 GLU 346.A OE2 no hydrogen 2.898 N/A ARG 572.A NH2 GLU 346.A OE1 no hydrogen 2.805 N/A ARG 572.A NH2 GLU 346.A OE2 no hydrogen 3.304 N/A