Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1upx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N THR 19.A O no hydrogen 3.203 N/A CYS 6.A N CYS 18.A O no hydrogen 3.086 N/A GLN 8.A NE2 THR 73.A O no hydrogen 2.947 N/A GLN 10.A N TYR 486.A O no hydrogen 2.917 N/A GLN 10.A NE2 THR 510.A OG1 no hydrogen 2.869 N/A THR 12.A N CYS 9.A O no hydrogen 3.306 N/A THR 12.A OG1 CYS 6.A O no hydrogen 3.106 N/A ASN 15.A N THR 12.A O no hydrogen 2.964 N/A ASN 15.A ND2 LEU 511.A O no hydrogen 2.945 N/A LYS 16.A N VAL 13.A O no hydrogen 2.907 N/A GLY 17.A N VAL 13.A O no hydrogen 3.016 N/A CYS 18.A N CYS 6.A O no hydrogen 2.825 N/A CYS 18.A SG THR 12.A OG1 no hydrogen 3.662 N/A GLY 22.A N LYS 26.A O no hydrogen 2.846 N/A GLY 25.A N GLY 22.A O no hydrogen 2.879 N/A LYS 26.A NZ GLN 34.A OE1 no hydrogen 3.222 N/A THR 30.A OG1 ASP 81.A OD1 no hydrogen 2.574 N/A ALA 31.A N LYS 27.A O no hydrogen 2.913 N/A ALA 32.A N PRO 28.A O no hydrogen 2.891 N/A LEU 33.A N GLU 29.A O no hydrogen 2.944 N/A GLN 34.A N THR 30.A O no hydrogen 2.979 N/A ASP 35.A N ALA 31.A O no hydrogen 2.930 N/A ALA 36.A N ALA 32.A O no hydrogen 2.883 N/A LEU 37.A N LEU 33.A O no hydrogen 2.846 N/A ILE 38.A N GLN 34.A O no hydrogen 2.920 N/A TYR 39.A N ASP 35.A O no hydrogen 3.047 N/A TYR 39.A OH ASP 110.A OD1 no hydrogen 2.600 N/A VAL 40.A N ALA 36.A O no hydrogen 3.026 N/A THR 41.A N LEU 37.A O no hydrogen 2.951 N/A THR 41.A OG1 LEU 37.A O no hydrogen 2.708 N/A LYS 42.A N ILE 38.A O no hydrogen 2.941 N/A LYS 42.A NZ THR 147.A OG1 no hydrogen 3.134 N/A GLY 43.A N TYR 39.A O no hydrogen 3.075 N/A LEU 44.A N VAL 40.A O no hydrogen 2.874 N/A GLY 45.A N THR 41.A O no hydrogen 2.891 N/A GLN 46.A N LYS 42.A O no hydrogen 3.010 N/A GLN 46.A NE2 GLY 107.A O no hydrogen 3.087 N/A ILE 47.A N GLY 43.A O no hydrogen 3.118 N/A ALA 48.A N LEU 44.A O no hydrogen 2.904 N/A THR 49.A N GLY 45.A O no hydrogen 2.938 N/A THR 49.A OG1 GLY 45.A O no hydrogen 2.727 N/A ARG 50.A N GLN 46.A O no hydrogen 2.941 N/A ARG 50.A NH1 SER 106.A O no hydrogen 2.869 N/A ARG 50.A NH2 SER 106.A O no hydrogen 2.920 N/A LEU 51.A N ILE 47.A O no hydrogen 2.922 N/A ARG 52.A N ALA 48.A O no hydrogen 2.970 N/A ARG 52.A NH1 GLN 175.A OE1 no hydrogen 2.857 N/A ARG 52.A NH2 GLN 175.A OE1 no hydrogen 2.951 N/A ALA 53.A N THR 49.A O no hydrogen 3.018 N/A GLU 54.A N ARG 50.A O no hydrogen 2.981 N/A GLU 54.A N LEU 51.A O no hydrogen 3.076 N/A GLY 55.A N ARG 52.A O no hydrogen 2.988 N/A LYS 56.A N LEU 51.A O no hydrogen 2.906 N/A LYS 56.A NZ GLU 54.A OE1 no hydrogen 2.742 N/A LYS 56.A NZ THR 103.A OG1 no hydrogen 3.037 N/A HIS 60.A ND1 ASP 63.A OD2 no hydrogen 2.786 N/A HIS 60.A NE2 ASP 161.A OD1 no hydrogen 2.751 N/A ARG 61.A N ASP 59.A OD1 no hydrogen 2.951 N/A ILE 62.A N ASP 59.A O no hydrogen 2.967 N/A ARG 64.A N HIS 60.A O no hydrogen 3.030 N/A ARG 64.A NE ASP 161.A OD1 no hydrogen 3.492 N/A ARG 64.A NE ASP 161.A OD2 no hydrogen 2.747 N/A ARG 64.A NH2 ASP 161.A OD1 no hydrogen 3.252 N/A LEU 65.A N ARG 61.A O no hydrogen 3.036 N/A VAL 66.A N ILE 62.A O no hydrogen 3.009 N/A THR 67.A N ASP 63.A O no hydrogen 2.960 N/A THR 67.A OG1 ASP 63.A O no hydrogen 3.300 N/A THR 67.A OG1 ARG 64.A O no hydrogen 3.244 N/A GLY 68.A N ARG 64.A O no hydrogen 2.932 N/A ASN 69.A N LEU 65.A O no hydrogen 2.896 N/A ASN 69.A ND2 THR 41.A OG1 no hydrogen 2.873 N/A ASN 69.A ND2 THR 91.A OG1 no hydrogen 2.846 N/A LEU 70.A N VAL 66.A O no hydrogen 3.039 N/A PHE 71.A N THR 67.A O no hydrogen 2.986 N/A ALA 72.A N GLY 68.A O no hydrogen 2.942 N/A THR 73.A N LEU 70.A O no hydrogen 3.043 N/A THR 73.A OG1 LEU 70.A O no hydrogen 2.834 N/A ILE 74.A N PHE 71.A O no hydrogen 3.044 N/A THR 75.A N GLN 488.A OE1 no hydrogen 2.957 N/A ALA 77.A N ILE 74.A O no hydrogen 3.105 N/A ASN 78.A ND2 ASP 80.A O no hydrogen 3.567 N/A PHE 79.A N GLY 327.A O no hydrogen 2.913 N/A ILE 83.A N ASP 80.A OD1 no hydrogen 3.205 N/A LEU 84.A N ASP 80.A O no hydrogen 3.007 N/A ALA 85.A N ASP 81.A O no hydrogen 2.853 N/A GLU 86.A N ASP 82.A O no hydrogen 3.063 N/A ARG 87.A N ILE 83.A O no hydrogen 2.935 N/A ARG 87.A NE ASN 69.A OD1 no hydrogen 2.725 N/A ARG 87.A NH1 GLU 337.A OE1 no hydrogen 3.087 N/A ARG 87.A NH2 LEU 65.A O no hydrogen 3.369 N/A ARG 87.A NH2 ASN 69.A OD1 no hydrogen 3.108 N/A VAL 88.A N LEU 84.A O no hydrogen 3.022 N/A ARG 89.A N ALA 85.A O no hydrogen 3.060 N/A ARG 89.A NE SER 117.A O no hydrogen 2.668 N/A ARG 89.A NH1 GLU 86.A OE1 no hydrogen 3.053 N/A ARG 89.A NH2 SER 117.A O no hydrogen 3.155 N/A MET 90.A N GLU 86.A O no hydrogen 2.884 N/A THR 91.A N ARG 87.A O no hydrogen 2.946 N/A THR 91.A OG1 ARG 87.A O no hydrogen 2.701 N/A CYS 92.A N VAL 88.A O no hydrogen 2.924 N/A CYS 92.A SG VAL 88.A O no hydrogen 3.380 N/A CYS 92.A SG TRP 114.A O no hydrogen 3.986 N/A ALA 93.A N ARG 89.A O no hydrogen 2.926 N/A ALA 94.A N MET 90.A O no hydrogen 2.954 N/A LYS 95.A N THR 91.A O no hydrogen 2.936 N/A LYS 95.A NZ ALA 111.A O no hydrogen 3.232 N/A LYS 95.A NZ ALA 112.A O no hydrogen 2.841 N/A LYS 95.A NZ TRP 114.A O no hydrogen 2.677 N/A LYS 96.A N CYS 92.A O no hydrogen 2.999 N/A LYS 96.A NZ GLU 115.A OE1 no hydrogen 2.891 N/A LYS 96.A NZ GLU 115.A OE2 no hydrogen 2.994 N/A GLU 97.A N ALA 93.A O no hydrogen 3.124 N/A LEU 98.A N ALA 94.A O no hydrogen 2.999 N/A ALA 99.A N LYS 95.A O no hydrogen 2.875 N/A ALA 100.A N LYS 96.A O no hydrogen 3.156 N/A SER 101.A N LEU 98.A O no hydrogen 3.026 N/A SER 101.A OG.A LEU 98.A O no hydrogen 2.444 N/A LEU 102.A N ALA 99.A O no hydrogen 3.109 N/A THR 103.A N GLU 54.A OE1 no hydrogen 3.009 N/A ASP 104.A N GLU 54.A OE2 no hydrogen 3.120 N/A LYS 105.A NZ LEU 102.A O no hydrogen 2.925 N/A SER 106.A N ASP 104.A OD1 no hydrogen 3.181 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.802 N/A SER 109.A N GLN 46.A OE1 no hydrogen 2.908 N/A SER 109.A OG GLN 46.A OE1 no hydrogen 2.929 N/A ALA 112.A N SER 109.A OG no hydrogen 3.059 N/A LEU 113.A N SER 109.A O no hydrogen 3.113 N/A LEU 113.A N ASP 110.A O no hydrogen 3.124 N/A TRP 114.A N ASP 110.A O no hydrogen 2.701 N/A MET 122.A N GLU 118.A O no hydrogen 3.166 N/A LEU 123.A N LYS 119.A O no hydrogen 2.884 N/A ALA 124.A N SER 120.A O no hydrogen 3.033 N/A LYS 125.A N ALA 121.A O no hydrogen 3.019 N/A LYS 125.A NZ ASP 110.A OD1 no hydrogen 2.759 N/A ALA 126.A N MET 122.A O no hydrogen 2.908 N/A GLY 127.A N LEU 123.A O no hydrogen 3.319 N/A GLY 127.A N ALA 124.A O no hydrogen 3.208 N/A THR 128.A N LYS 125.A O no hydrogen 2.992 N/A THR 128.A OG1 LYS 125.A O no hydrogen 3.141 N/A VAL 129.A N ALA 126.A O no hydrogen 3.157 N/A ALA 133.A N GLY 130.A O no hydrogen 3.119 N/A THR 134.A N VAL 131.A O no hydrogen 3.432 N/A VAL 139.A N ASP 136.A OD1 no hydrogen 3.009 N/A ARG 140.A N ASP 136.A O no hydrogen 2.854 N/A ARG 140.A NH1 THR 134.A O no hydrogen 3.076 N/A ARG 140.A NH1 THR 135.A O no hydrogen 3.109 N/A ARG 140.A NH2 ASP 137.A OD1 no hydrogen 2.831 N/A SER 141.A N ASP 137.A O no hydrogen 2.935 N/A SER 141.A OG PHE 514.A O no hydrogen 2.607 N/A LEU 142.A N ASP 138.A O no hydrogen 2.956 N/A ARG 143.A N VAL 139.A O no hydrogen 2.880 N/A ARG 143.A NH1 THR 134.A OG1 no hydrogen 3.054 N/A ARG 143.A NH2 ASP 184.A OD1 no hydrogen 2.875 N/A TRP 144.A N ARG 140.A O no hydrogen 3.003 N/A LEU 145.A N SER 141.A O no hydrogen 2.877 N/A ILE 146.A N LEU 142.A O no hydrogen 2.878 N/A THR 147.A N ARG 143.A O no hydrogen 2.913 N/A THR 147.A OG1 ARG 143.A O no hydrogen 2.741 N/A PHE 148.A N TRP 144.A O no hydrogen 2.831 N/A GLY 149.A N LEU 145.A O no hydrogen 2.935 N/A LEU 150.A N ILE 146.A O no hydrogen 2.790 N/A LYS 151.A N THR 147.A O no hydrogen 2.945 N/A LYS 151.A NZ GLN 8.A OE1 no hydrogen 2.797 N/A LYS 151.A NZ THR 73.A O no hydrogen 3.252 N/A LYS 151.A NZ THR 73.A OG1 no hydrogen 2.941 N/A GLY 152.A N PHE 148.A O no hydrogen 3.148 N/A MET 153.A N GLY 149.A O no hydrogen 2.880 N/A ALA 154.A N LEU 150.A O no hydrogen 2.829 N/A ALA 155.A N LYS 151.A O no hydrogen 3.013 N/A TYR 156.A N GLY 152.A O no hydrogen 3.223 N/A ALA 157.A N MET 153.A O no hydrogen 2.872 N/A LYS 158.A N ALA 154.A O no hydrogen 2.812 N/A LYS 158.A NZ ARG 64.A O no hydrogen 3.063 N/A LYS 158.A NZ THR 67.A OG1 no hydrogen 3.184 N/A LYS 158.A NZ GLU 337.A OE2 no hydrogen 2.877 N/A HIS 159.A N ALA 155.A O no hydrogen 3.062 N/A ALA 160.A N TYR 156.A O no hydrogen 3.058 N/A ASP 161.A N ALA 157.A O no hydrogen 2.948 N/A VAL 162.A N LYS 158.A O no hydrogen 2.871 N/A LEU 163.A N HIS 159.A O no hydrogen 3.308 N/A LEU 163.A N ALA 160.A O no hydrogen 3.041 N/A GLY 164.A N ASP 161.A O no hydrogen 2.908 N/A LYS 165.A N ALA 160.A O no hydrogen 2.927 N/A LYS 165.A NZ.B LEU 163.A O no hydrogen 2.985 N/A LEU 170.A N GLU 167.A O no hydrogen 3.016 N/A ASP 171.A N GLU 167.A O no hydrogen 3.239 N/A ALA 172.A N ASN 168.A O no hydrogen 2.866 N/A PHE 173.A N SER 169.A O no hydrogen 3.006 N/A MET 174.A N LEU 170.A O no hydrogen 2.960 N/A GLN 175.A N ASP 171.A O no hydrogen 3.104 N/A GLN 175.A NE2 ASP 63.A OD1 no hydrogen 2.907 N/A GLU 176.A N ALA 172.A O no hydrogen 2.959 N/A ALA 177.A N PHE 173.A O no hydrogen 2.796 N/A LEU 178.A N MET 174.A O no hydrogen 2.993 N/A ALA 179.A N GLN 175.A O no hydrogen 3.166 N/A LYS 180.A N GLU 176.A O no hydrogen 2.959 N/A THR 181.A N ALA 177.A O no hydrogen 3.213 N/A THR 181.A N LEU 178.A O no hydrogen 3.175 N/A THR 181.A OG1 LEU 178.A O no hydrogen 2.703 N/A LEU 182.A N ALA 179.A O no hydrogen 3.050 N/A ASP 183.A N LYS 180.A O no hydrogen 3.071 N/A SER 185.A N ASP 183.A OD1 no hydrogen 3.037 N/A SER 185.A OG ASP 183.A OD1 no hydrogen 2.705 N/A SER 185.A OG ASP 183.A OD2 no hydrogen 3.366 N/A LEU 186.A N ASP 183.A O no hydrogen 3.405 N/A SER 187.A N ASP 190.A OD2 no hydrogen 3.037 N/A ASP 190.A N SER 187.A OG no hydrogen 3.008 N/A LEU 191.A N SER 187.A O no hydrogen 2.994 N/A VAL 192.A N VAL 188.A O no hydrogen 2.823 N/A ALA 193.A N ALA 189.A O no hydrogen 3.000 N/A LEU 194.A N ASP 190.A O no hydrogen 2.945 N/A THR 195.A N LEU 191.A O no hydrogen 2.881 N/A THR 195.A OG1 LEU 191.A O no hydrogen 2.881 N/A LEU 196.A N VAL 192.A O no hydrogen 3.138 N/A GLU 197.A N ALA 193.A O no hydrogen 2.941 N/A THR 198.A N LEU 194.A O no hydrogen 2.836 N/A THR 198.A OG1 LEU 194.A O no hydrogen 2.749 N/A GLY 199.A N THR 195.A O no hydrogen 3.100 N/A LYS 200.A N LEU 196.A O no hydrogen 3.048 N/A PHE 201.A N GLU 197.A O no hydrogen 2.973 N/A GLY 202.A N THR 198.A O no hydrogen 2.813 N/A VAL 203.A N GLY 199.A O no hydrogen 3.012 N/A SER 204.A N LYS 200.A O no hydrogen 3.107 N/A SER 204.A OG LYS 200.A O no hydrogen 3.354 N/A ALA 205.A N PHE 201.A O no hydrogen 2.844 N/A MET 206.A N GLY 202.A O no hydrogen 2.923 N/A ALA 207.A N VAL 203.A O no hydrogen 2.783 N/A LEU 208.A N SER 204.A O no hydrogen 2.927 N/A LEU 209.A N ALA 205.A O no hydrogen 2.973 N/A ASP 210.A N MET 206.A O no hydrogen 2.845 N/A ALA 211.A N ALA 207.A O no hydrogen 2.959 N/A ALA 212.A N LEU 208.A O no hydrogen 2.899 N/A ASN 213.A N LEU 209.A O no hydrogen 2.800 N/A THR 214.A N ASP 210.A O no hydrogen 2.972 N/A THR 214.A OG1 ASP 210.A O no hydrogen 2.908 N/A GLY 215.A N ALA 211.A O no hydrogen 2.831 N/A THR 216.A N ALA 212.A O no hydrogen 3.104 N/A THR 216.A OG1 ALA 212.A O no hydrogen 2.723 N/A TYR 217.A N ASN 213.A O no hydrogen 2.932 N/A TYR 217.A OH GLU 246.A OE1 no hydrogen 2.670 N/A GLY 218.A N THR 214.A O no hydrogen 2.918 N/A GLU 221.A N TYR 270.A O no hydrogen 2.981 N/A ILE 222.A N GLN 373.A OE1 no hydrogen 2.967 N/A THR 223.A N GLY 367.A O no hydrogen 2.848 N/A THR 223.A OG1 GLU 221.A O no hydrogen 2.733 N/A VAL 225.A N ILE 365.A O no hydrogen 2.776 N/A ILE 227.A N GLY 363.A O no hydrogen 2.973 N/A GLY 228.A N ASN 226.A OD1 no hydrogen 2.913 N/A VAL 229.A N GLU 359.A OE1 no hydrogen 2.969 N/A GLY 230.A N TYR 260.A OH no hydrogen 2.804 N/A ASN 232.A ND2 ASP 258.A OD2 no hydrogen 3.183 N/A ILE 235.A N ASP 258.A O no hydrogen 2.925 N/A LEU 236.A N PRO 301.A O no hydrogen 2.918 N/A ILE 237.A N TYR 260.A O no hydrogen 2.868 N/A SER 238.A N LEU 303.A O no hydrogen 2.827 N/A SER 238.A OG HIS 262.A ND1 no hydrogen 2.678 N/A HIS 240.A ND1 THR 306.A OG1 no hydrogen 2.805 N/A ASP 241.A N THR 305.A OG1 no hydrogen 3.089 N/A ARG 243.A NE GLY 339.A O no hydrogen 3.042 N/A ARG 243.A NH1 GLU 246.A OE1 no hydrogen 3.106 N/A ARG 243.A NH2 GLY 339.A O no hydrogen 3.233 N/A ASP 244.A N ASP 241.A OD1 no hydrogen 2.899 N/A LEU 245.A N ASP 241.A O no hydrogen 3.474 N/A GLU 246.A N LEU 242.A O no hydrogen 2.975 N/A MET 247.A N ARG 243.A O no hydrogen 3.082 N/A LEU 248.A N ASP 244.A O no hydrogen 2.909 N/A LEU 249.A N LEU 245.A O no hydrogen 2.785 N/A LYS 250.A N GLU 246.A O no hydrogen 3.024 N/A LYS 250.A NZ GLU 246.A OE2 no hydrogen 2.753 N/A GLN 251.A N MET 247.A O no hydrogen 3.032 N/A GLN 251.A NE2 LYS 342.A O no hydrogen 2.761 N/A THR 252.A N LEU 248.A O no hydrogen 2.962 N/A THR 252.A OG1 LEU 248.A O no hydrogen 2.745 N/A THR 252.A OG1 LEU 249.A O no hydrogen 3.192 N/A THR 252.A OG1 HIS 279.A NE2 no hydrogen 2.863 N/A GLU 253.A N LEU 249.A O no hydrogen 3.186 N/A GLU 253.A N LYS 250.A O no hydrogen 3.384 N/A THR 255.A N THR 252.A O no hydrogen 3.053 N/A THR 255.A OG1 THR 252.A O no hydrogen 2.659 N/A VAL 257.A N THR 255.A OG1 no hydrogen 3.139 N/A ASP 258.A N PRO 233.A O no hydrogen 2.956 N/A VAL 259.A N HIS 279.A O no hydrogen 2.959 N/A TYR 260.A N ILE 235.A O no hydrogen 2.913 N/A THR 261.A N GLY 282.A O no hydrogen 3.011 N/A THR 261.A OG1 GLY 282.A O no hydrogen 3.449 N/A THR 261.A OG1 ASN 283.A OD1 no hydrogen 2.623 N/A HIS 262.A N ILE 237.A O no hydrogen 2.925 N/A HIS 262.A ND1 SER 238.A OG no hydrogen 2.678 N/A MET 265.A N HIS 262.A O no hydrogen 2.945 N/A LEU 266.A N SER 263.A O no hydrogen 3.386 N/A ALA 268.A N MET 265.A O no hydrogen 2.970 N/A HIS 269.A N LEU 266.A O no hydrogen 3.088 N/A HIS 269.A ND1 LEU 266.A O no hydrogen 3.086 N/A HIS 269.A NE2 LYS 281.A O no hydrogen 2.638 N/A TYR 270.A N PRO 267.A O no hydrogen 2.901 N/A TYR 270.A OH ASP 448.A OD2 no hydrogen 2.624 N/A TYR 271.A N ALA 268.A O no hydrogen 3.238 N/A ALA 273.A N TYR 217.A O no hydrogen 3.121 N/A PHE 274.A N TYR 271.A O no hydrogen 3.183 N/A LYS 275.A N PRO 272.A O no hydrogen 3.201 N/A LYS 275.A NZ GLU 221.A OE2 no hydrogen 2.713 N/A LYS 275.A NZ THR 223.A OG1 no hydrogen 2.826 N/A LYS 276.A N ALA 273.A O no hydrogen 3.501 N/A TYR 277.A N PHE 274.A O no hydrogen 3.434 N/A HIS 279.A NE2 LEU 249.A O no hydrogen 2.914 N/A PHE 280.A N TYR 277.A O no hydrogen 3.121 N/A LYS 281.A N VAL 259.A O no hydrogen 2.789 N/A ASN 283.A N ASN 226.A O no hydrogen 2.954 N/A ASN 283.A ND2 TYR 430.A OH no hydrogen 3.181 N/A TYR 284.A N THR 261.A O no hydrogen 2.830 N/A TYR 284.A OH SER 297.A OG no hydrogen 2.792 N/A TYR 284.A OH THR 358.A O no hydrogen 2.624 N/A ASN 286.A N GLU 294.A OE1 no hydrogen 2.760 N/A ASN 286.A ND2 GLU 294.A OE2 no hydrogen 2.862 N/A TRP 288.A NE1 ASP 400.A O.A no hydrogen 2.955 N/A TRP 288.A NE1 ASP 400.A O.B no hydrogen 2.991 N/A TRP 289.A NE1 ASP 400.A OD2.A no hydrogen 2.928 N/A TRP 289.A NE1 ASP 400.A OD2.B no hydrogen 2.743 N/A LYS 290.A N ALA 287.A O no hydrogen 3.173 N/A GLN 291.A N TRP 288.A O no hydrogen 3.041 N/A GLN 291.A NE2 TRP 288.A O no hydrogen 2.869 N/A GLN 291.A NE2 CYS 308.A O no hydrogen 2.917 N/A GLU 293.A N LYS 290.A O no hydrogen 3.143 N/A GLU 294.A N LYS 290.A O no hydrogen 3.006 N/A PHE 295.A N GLN 291.A O no hydrogen 2.787 N/A SER 297.A N GLU 293.A O no hydrogen 3.067 N/A SER 297.A OG TYR 284.A OH no hydrogen 2.792 N/A SER 297.A OG GLU 293.A O no hydrogen 3.411 N/A SER 297.A OG GLU 294.A O no hydrogen 3.351 N/A PHE 298.A N GLU 294.A O no hydrogen 2.967 N/A ASN 299.A N GLU 296.A O no hydrogen 3.188 N/A ASN 299.A ND2 ALA 356.A O no hydrogen 2.845 N/A ASN 299.A ND2 THR 358.A OG1 no hydrogen 2.927 N/A GLY 300.A N PHE 298.A O no hydrogen 2.819 N/A VAL 302.A N ARG 319.A O no hydrogen 2.931 N/A LEU 303.A N LEU 236.A O no hydrogen 2.767 N/A LEU 304.A N TYR 321.A O no hydrogen 2.846 N/A THR 305.A N SER 238.A O no hydrogen 3.049 N/A THR 305.A OG1 SER 238.A O no hydrogen 2.855 N/A THR 306.A OG1 HIS 240.A ND1 no hydrogen 2.805 N/A THR 306.A OG1 ASN 307.A O no hydrogen 2.646 N/A ASN 307.A ND2 THR 75.A O no hydrogen 3.285 N/A ASN 307.A ND2 GLU 487.A OE2.B no hydrogen 2.760 N/A CYS 308.A SG ASN 76.A OD1 no hydrogen 3.547 N/A LEU 309.A N ASN 76.A O no hydrogen 2.854 N/A VAL 310.A N GLN 291.A OE1 no hydrogen 2.978 N/A LYS 313.A NZ GLU 296.A OE2 no hydrogen 2.974 N/A SER 315.A OG GLU 296.A OE2 no hydrogen 2.773 N/A TYR 316.A N LYS 313.A O no hydrogen 3.203 N/A LYS 317.A N LYS 313.A O no hydrogen 2.947 N/A LYS 317.A NZ THR 329.A O no hydrogen 3.022 N/A ARG 319.A N TYR 316.A O no hydrogen 2.914 N/A ARG 319.A NH1 PHE 295.A O no hydrogen 2.855 N/A ARG 319.A NH1 GLY 300.A O no hydrogen 2.819 N/A ARG 319.A NH2 PHE 295.A O no hydrogen 3.467 N/A ARG 319.A NH2 GLU 296.A O no hydrogen 2.965 N/A VAL 320.A N LYS 317.A O no hydrogen 3.219 N/A TYR 321.A N VAL 302.A O no hydrogen 2.805 N/A TYR 321.A OH HIS 350.A ND1 no hydrogen 2.668 N/A THR 322.A N LYS 332.A O no hydrogen 2.868 N/A THR 322.A OG1 VAL 326.A O no hydrogen 3.468 N/A THR 322.A OG1 LYS 332.A O no hydrogen 3.332 N/A THR 322.A OG1 HIS 333.A ND1 no hydrogen 2.768 N/A THR 323.A N LEU 304.A O no hydrogen 3.138 N/A THR 323.A OG1 ILE 334.A O no hydrogen 2.666 N/A VAL 326.A N THR 323.A O no hydrogen 3.097 N/A GLY 327.A N ALA 77.A O no hydrogen 3.093 N/A CYS 331.A N PHE 328.A O no hydrogen 2.939 N/A CYS 331.A SG LYS 317.A O no hydrogen 4.047 N/A LYS 332.A NZ ASP 318.A O no hydrogen 2.738 N/A LYS 332.A NZ ASP 318.A OD2 no hydrogen 3.087 N/A HIS 333.A ND1 THR 322.A OG1 no hydrogen 2.768 N/A ILE 334.A N THR 322.A O no hydrogen 2.770 N/A ILE 338.A N GLU 340.A OE1 no hydrogen 2.975 N/A GLU 340.A N GLU 340.A OE1 no hydrogen 3.019 N/A LYS 342.A NZ ASP 244.A OD1 no hydrogen 2.734 N/A LYS 342.A NZ ASP 244.A OD2 no hydrogen 3.421 N/A LYS 342.A NZ THR 323.A OG1 no hydrogen 2.875 N/A LYS 342.A NZ GLY 336.A O no hydrogen 2.973 N/A PHE 344.A N GLN 251.A OE1 no hydrogen 2.849 N/A SER 345.A N ASP 343.A OD1 no hydrogen 2.956 N/A SER 345.A OG ASP 343.A OD1 no hydrogen 2.867 N/A SER 345.A OG ASP 343.A OD2 no hydrogen 3.380 N/A ILE 348.A N PHE 344.A O no hydrogen 3.043 N/A ALA 349.A N SER 345.A O no hydrogen 2.971 N/A HIS 350.A N ALA 346.A O no hydrogen 2.939 N/A HIS 350.A ND1 TYR 321.A OH no hydrogen 2.668 N/A ALA 351.A N ILE 347.A O no hydrogen 2.898 N/A LYS 352.A N ILE 348.A O no hydrogen 3.229 N/A THR 353.A N HIS 350.A O no hydrogen 2.985 N/A THR 353.A OG1 HIS 350.A O no hydrogen 2.697 N/A CYS 354.A N ALA 351.A O no hydrogen 3.015 N/A CYS 354.A SG ASN 299.A O no hydrogen 3.488 N/A CYS 354.A SG HIS 350.A O no hydrogen 3.473 N/A THR 358.A N SER 297.A O no hydrogen 3.024 N/A THR 358.A OG1 SER 297.A O no hydrogen 3.462 N/A ILE 365.A N VAL 225.A O no hydrogen 2.975 N/A GLY 367.A N THR 223.A O no hydrogen 3.014 N/A GLY 368.A N ASP 448.A O no hydrogen 3.003 N/A PHE 369.A N ASP 448.A O no hydrogen 2.939 N/A HIS 371.A N SER 457.A OG no hydrogen 2.917 N/A HIS 371.A NE2 ASP 210.A OD2 no hydrogen 2.786 N/A GLN 373.A NE2 GLN 373.A O no hydrogen 2.875 N/A VAL 374.A N ALA 370.A O no hydrogen 2.981 N/A LEU 375.A N HIS 371.A O no hydrogen 2.867 N/A ALA 376.A N ASN 372.A O no hydrogen 3.021 N/A LEU 377.A N VAL 374.A O no hydrogen 2.926 N/A ALA 378.A N LEU 375.A O no hydrogen 3.163 N/A VAL 381.A N LEU 377.A O no hydrogen 3.064 N/A ILE 382.A N ALA 378.A O no hydrogen 2.807 N/A ASP 383.A N ASP 379.A O no hydrogen 2.914 N/A ALA 384.A N LYS 380.A O no hydrogen 3.025 N/A VAL 385.A N VAL 381.A O no hydrogen 2.974 N/A LYS 386.A N ILE 382.A O no hydrogen 2.901 N/A SER 387.A N ASP 383.A O no hydrogen 2.947 N/A SER 387.A OG ASP 383.A O no hydrogen 3.454 N/A SER 387.A OG ALA 384.A O no hydrogen 3.253 N/A GLY 388.A N VAL 385.A O no hydrogen 3.224 N/A ALA 389.A N SER 387.A OG no hydrogen 3.208 N/A ILE 390.A N ALA 384.A O no hydrogen 3.079 N/A LYS 391.A N ASP 419.A O no hydrogen 2.765 N/A PHE 393.A N PRO 478.A O no hydrogen 2.850 N/A VAL 394.A N VAL 421.A O no hydrogen 2.822 N/A VAL 395.A N VAL 480.A O no hydrogen 2.774 N/A MET 396.A N LEU 423.A O no hydrogen 2.883 N/A GLY 398.A N.A ALA 425.A O no hydrogen 2.878 N/A GLY 398.A N.B ALA 425.A O no hydrogen 2.892 N/A CYS 399.A N.A ALA 484.A O no hydrogen 2.896 N/A CYS 399.A N.B ALA 484.A O no hydrogen 2.940 N/A CYS 399.A SG.A GLU 487.A OE2.A no hydrogen 3.445 N/A CYS 399.A SG.B GLU 487.A OE2.A no hydrogen 3.219 N/A GLY 401.A N.B ASP 400.A OD1.A no hydrogen 3.067 N/A ARG 402.A N.A GLU 11.A OE2 no hydrogen 2.893 N/A ARG 402.A N.B GLU 11.A OE2 no hydrogen 2.824 N/A ARG 402.A NH1.A GLU 11.A OE1 no hydrogen 2.747 N/A ARG 402.A NH1.B GLU 11.A OE1 no hydrogen 3.112 N/A ARG 406.A N ALA 403.A O no hydrogen 2.979 N/A ARG 406.A NH1 CYS 399.A O.A no hydrogen 2.862 N/A ARG 406.A NH1 CYS 399.A O.B no hydrogen 3.075 N/A ARG 406.A NH2 GLN 10.A OE1 no hydrogen 3.052 N/A ARG 406.A NH2 TRP 485.A O no hydrogen 2.812 N/A SER 407.A N LYS 404.A O no hydrogen 3.129 N/A SER 407.A OG LYS 404.A O no hydrogen 3.235 N/A TYR 408.A N SER 405.A O no hydrogen 3.021 N/A TYR 408.A OH ASP 538.A OD2 no hydrogen 2.636 N/A TYR 409.A N ARG 406.A O no hydrogen 2.955 N/A THR 410.A OG1 ARG 431.A O no hydrogen 2.658 N/A ASP 411.A N SER 407.A O no hydrogen 2.952 N/A PHE 412.A N TYR 408.A O no hydrogen 2.766 N/A ALA 413.A N TYR 409.A O no hydrogen 3.037 N/A GLU 414.A N THR 410.A O no hydrogen 2.907 N/A GLY 415.A N ASP 411.A O no hydrogen 2.939 N/A LEU 416.A N ALA 413.A O no hydrogen 3.339 N/A THR 420.A N PRO 417.A O no hydrogen 3.225 N/A THR 420.A OG1 PRO 417.A O no hydrogen 2.693 N/A VAL 421.A N LYS 392.A O no hydrogen 3.007 N/A ILE 422.A N ARG 445.A O no hydrogen 2.729 N/A LEU 423.A N VAL 394.A O no hydrogen 2.852 N/A THR 424.A N LEU 447.A O no hydrogen 2.928 N/A THR 424.A OG1 TYR 432.A OH no hydrogen 2.706 N/A GLY 426.A N GLY 450.A O no hydrogen 2.979 N/A ALA 428.A N GLY 398.A O.A no hydrogen 2.865 N/A ALA 428.A N GLY 398.A O.B no hydrogen 3.060 N/A LYS 429.A N GLY 426.A O no hydrogen 3.159 N/A LYS 429.A NZ ASP 448.A OD1 no hydrogen 2.875 N/A LYS 429.A NZ ASP 448.A OD2 no hydrogen 2.798 N/A LYS 429.A NZ GLY 450.A O no hydrogen 2.812 N/A TYR 430.A N CYS 427.A O no hydrogen 3.095 N/A TYR 430.A OH SER 263.A O no hydrogen 2.774 N/A ARG 431.A N ALA 428.A O no hydrogen 3.165 N/A ARG 431.A NE ASP 400.A OD1.A no hydrogen 2.725 N/A ARG 431.A NE ASP 400.A OD1.B no hydrogen 3.046 N/A ARG 431.A NE ASP 400.A OD2.A no hydrogen 3.485 N/A ARG 431.A NE ASP 400.A OD2.B no hydrogen 3.384 N/A ARG 431.A NH2 ASP 400.A OD1.A no hydrogen 3.413 N/A ARG 431.A NH2 GLY 401.A O.A no hydrogen 2.878 N/A ARG 431.A NH2 GLY 401.A O.B no hydrogen 2.956 N/A TYR 432.A N LYS 429.A O no hydrogen 3.036 N/A TYR 432.A OH MET 396.A O no hydrogen 2.635 N/A TYR 432.A OH THR 424.A OG1 no hydrogen 2.706 N/A ASN 433.A N LYS 429.A O no hydrogen 2.870 N/A LYS 434.A NZ GLY 285.A O no hydrogen 2.902 N/A LYS 434.A NZ ASN 286.A OD1 no hydrogen 2.795 N/A LYS 434.A NZ GLU 361.A OE2 no hydrogen 2.641 N/A ILE 440.A N ILE 443.A O no hydrogen 2.836 N/A GLY 442.A N ASP 439.A OD2 no hydrogen 3.007 N/A ILE 443.A N ILE 440.A O no hydrogen 2.909 N/A ARG 445.A N GLY 438.A O no hydrogen 2.984 N/A ARG 445.A NE THR 420.A O no hydrogen 2.728 N/A ARG 445.A NH1 LEU 437.A O no hydrogen 2.960 N/A ARG 445.A NH2 THR 420.A O no hydrogen 3.375 N/A ARG 445.A NH2 THR 420.A OG1 no hydrogen 3.162 N/A LEU 447.A N ILE 422.A O no hydrogen 2.831 N/A ALA 449.A N THR 424.A O no hydrogen 2.853 N/A GLY 450.A N ASP 448.A OD1 no hydrogen 2.909 N/A GLN 451.A N ASP 454.A OD2 no hydrogen 2.800 N/A GLN 451.A NE2 HIS 240.A O no hydrogen 2.971 N/A GLN 451.A NE2 GLU 264.A O no hydrogen 2.912 N/A CYS 452.A N GLU 264.A OE2 no hydrogen 2.815 N/A CYS 452.A SG TYR 156.A OH no hydrogen 3.142 N/A CYS 452.A SG HIS 240.A NE2 no hydrogen 3.684 N/A CYS 452.A SG GLU 264.A OE2 no hydrogen 3.348 N/A CYS 452.A SG ASN 453.A OD1 no hydrogen 4.000 N/A ASN 453.A ND2 GLN 451.A OE1 no hydrogen 2.994 N/A ASP 454.A N GLN 451.A O no hydrogen 2.781 N/A SER 455.A N CYS 452.A O no hydrogen 2.958 N/A SER 455.A OG CYS 452.A O no hydrogen 2.822 N/A TYR 456.A N ASN 453.A O no hydrogen 3.108 N/A LEU 458.A N ASP 454.A O no hydrogen 3.444 N/A ALA 459.A N SER 455.A O no hydrogen 3.038 N/A VAL 460.A N TYR 456.A O no hydrogen 2.895 N/A ILE 461.A N SER 457.A O no hydrogen 2.837 N/A ALA 462.A N LEU 458.A O no hydrogen 2.928 N/A LEU 463.A N ALA 459.A O no hydrogen 2.903 N/A LYS 464.A N VAL 460.A O no hydrogen 2.924 N/A LEU 465.A N ILE 461.A O no hydrogen 2.953 N/A LYS 466.A N ALA 462.A O no hydrogen 2.904 N/A LYS 466.A NZ LEU 471.A O no hydrogen 2.812 N/A GLU 467.A N LEU 463.A O no hydrogen 3.071 N/A VAL 468.A N LYS 464.A O no hydrogen 2.908 N/A PHE 469.A N LEU 465.A O no hydrogen 2.993 N/A GLY 470.A N GLU 467.A O no hydrogen 3.063 N/A LEU 471.A N LYS 466.A O no hydrogen 3.002 N/A ASN 475.A N ASP 473.A OD1 no hydrogen 2.889 N/A ASN 475.A ND2 ASP 473.A OD1 no hydrogen 2.945 N/A ASN 475.A ND2 GLY 501.A O no hydrogen 2.797 N/A ASP 476.A N ASP 473.A O no hydrogen 3.010 N/A LEU 477.A N VAL 474.A O no hydrogen 3.255 N/A ILE 479.A N LEU 477.A O no hydrogen 2.883 N/A VAL 480.A N PHE 393.A O no hydrogen 2.889 N/A ASN 482.A N VAL 395.A O no hydrogen 2.790 N/A ASN 482.A ND2 TYR 408.A OH no hydrogen 3.005 N/A ILE 483.A N HIS 506.A O no hydrogen 2.870 N/A ALA 484.A N ALA 397.A O no hydrogen 3.284 N/A TRP 485.A N GLY 508.A O no hydrogen 2.980 N/A TRP 485.A NE1 THR 510.A O no hydrogen 2.880 N/A TYR 486.A OH ASN 76.A OD1 no hydrogen 3.031 N/A GLN 488.A NE2 GLN 8.A O no hydrogen 2.857 N/A GLN 488.A NE2 THR 75.A OG1 no hydrogen 2.908 N/A LYS 489.A N GLU 487.A OE1.A no hydrogen 3.004 N/A LYS 489.A N GLU 487.A OE1.B no hydrogen 3.009 N/A LYS 489.A NZ ASN 307.A OD1 no hydrogen 2.868 N/A ALA 490.A N GLU 487.A O.A no hydrogen 3.076 N/A VAL 491.A N GLU 487.A O.B no hydrogen 3.401 N/A ILE 492.A N GLN 488.A O no hydrogen 3.097 N/A VAL 493.A N LYS 489.A O no hydrogen 3.037 N/A LEU 494.A N ALA 490.A O no hydrogen 2.901 N/A LEU 495.A N VAL 491.A O no hydrogen 2.964 N/A ALA 496.A N ILE 492.A O no hydrogen 2.818 N/A LEU 497.A N VAL 493.A O no hydrogen 2.934 N/A LEU 498.A N LEU 494.A O no hydrogen 2.946 N/A SER 499.A N LEU 495.A O no hydrogen 2.877 N/A SER 499.A OG ALA 496.A O no hydrogen 2.706 N/A LEU 500.A N ALA 496.A O no hydrogen 3.068 N/A LEU 500.A N LEU 497.A O no hydrogen 3.117 N/A GLY 501.A N LEU 498.A O no hydrogen 3.012 N/A VAL 502.A N LEU 497.A O no hydrogen 3.082 N/A LYS 503.A N ASN 475.A OD1 no hydrogen 2.803 N/A ASN 504.A N PHE 527.A O no hydrogen 2.908 N/A HIS 506.A N TYR 481.A O no hydrogen 2.889 N/A LEU 507.A N GLY 530.A O no hydrogen 2.825 N/A GLY 508.A N ILE 483.A O no hydrogen 3.039 N/A LEU 515.A N PRO 512.A O no hydrogen 3.364 N/A SER 516.A N SER 141.A OG no hydrogen 3.069 N/A SER 516.A OG ASP 138.A OD1 no hydrogen 2.775 N/A VAL 519.A N SER 516.A OG no hydrogen 3.291 N/A ALA 520.A N SER 516.A O no hydrogen 2.830 N/A LYS 521.A N PRO 517.A O no hydrogen 2.945 N/A VAL 522.A N ASN 518.A O no hydrogen 3.232 N/A LEU 523.A N VAL 519.A O no hydrogen 3.131 N/A VAL 524.A N ALA 520.A O no hydrogen 2.918 N/A GLU 525.A N LYS 521.A O no hydrogen 2.801 N/A GLN 526.A N VAL 522.A O no hydrogen 2.853 N/A PHE 527.A N LEU 523.A O no hydrogen 2.955 N/A ASN 528.A N VAL 524.A O no hydrogen 2.920 N/A ILE 529.A N LEU 523.A O no hydrogen 3.343 N/A GLY 530.A N ILE 505.A O no hydrogen 2.948 N/A THR 533.A N ASP 538.A OD2 no hydrogen 2.872 N/A THR 533.A OG1 ASP 538.A OD1 no hydrogen 2.757 N/A GLN 536.A N GLN 536.A OE1 no hydrogen 2.788 N/A ASP 537.A N SER 534.A OG no hydrogen 3.089 N/A ASP 538.A N SER 534.A O no hydrogen 3.003 N/A LEU 539.A N PRO 535.A O no hydrogen 2.861 N/A LYS 540.A N ASP 537.A O no hydrogen 3.184 N/A ALA 541.A N ASP 537.A O no hydrogen 2.848 N/A PHE 542.A N ASP 538.A O no hydrogen 2.851 N/A PHE 543.A N LYS 540.A O no hydrogen 3.391 N/A GLY 544.A N LYS 540.A O no hydrogen 3.622 N/A GLY 544.A N ALA 541.A O no hydrogen 3.518 N/A