Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4hze_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N HIS 41.A O no hydrogen 2.786 N/A ALA 4.A N SER 89.A O no hydrogen 2.865 N/A VAL 5.A N LYS 43.A O no hydrogen 2.928 N/A ILE 6.A N VAL 91.A O no hydrogen 2.776 N/A GLY 7.A N GLY 46.A O no hydrogen 2.790 N/A ALA 8.A N LEU 93.A O no hydrogen 2.814 N/A PHE 10.A N ALA 8.A O no hydrogen 2.695 N/A GLY 13.A N ASP 96.A OD2 no hydrogen 2.861 N/A GLN 14.A N SER 11.A O no hydrogen 3.318 N/A GLN 14.A NE2 SER 11.A O no hydrogen 2.887 N/A GLN 14.A NE2 ARG 16.A O no hydrogen 2.814 N/A LYS 15.A NZ ASN 135.A OD1 no hydrogen 2.801 N/A ARG 16.A N GLN 14.A OE1 no hydrogen 3.170 N/A ARG 16.A NH2 GLY 241.A O no hydrogen 2.884 N/A GLY 18.A N GLU 20.A OE1 no hydrogen 2.962 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.668 N/A HIS 21.A N GLY 18.A O no hydrogen 2.934 N/A GLY 22.A N VAL 19.A O no hydrogen 3.052 N/A ALA 25.A N HIS 21.A O no hydrogen 3.126 N/A ILE 26.A N GLY 22.A O no hydrogen 2.954 N/A ARG 27.A N PRO 23.A O no hydrogen 2.986 N/A ARG 27.A NE ASP 47.A OD1 no hydrogen 3.565 N/A ARG 27.A NH1 ASP 44.A OD1 no hydrogen 3.129 N/A ARG 27.A NH1 ASP 44.A OD2 no hydrogen 2.512 N/A ARG 27.A NH2 ASP 44.A OD1 no hydrogen 2.676 N/A GLU 28.A N ALA 24.A O no hydrogen 2.885 N/A ALA 29.A N ALA 25.A O no hydrogen 3.062 N/A ALA 29.A N ILE 26.A O no hydrogen 3.169 N/A GLY 30.A N ARG 27.A O no hydrogen 2.973 N/A ARG 34.A N GLY 30.A O no hydrogen 3.187 N/A ARG 34.A NE GLN 302.A OE1 no hydrogen 2.966 N/A ARG 34.A NH1 ASP 294.A OD1 no hydrogen 3.298 N/A ARG 34.A NH2 ASP 294.A OD1 no hydrogen 2.720 N/A ARG 34.A NH2 GLN 302.A OE1 no hydrogen 3.351 N/A LEU 35.A N LEU 31.A O no hydrogen 3.050 N/A SER 36.A N MET 32.A O no hydrogen 2.923 N/A SER 36.A OG.A MET 32.A O no hydrogen 3.167 N/A SER 37.A N LYS 33.A O no hydrogen 2.940 N/A SER 37.A OG.A LYS 33.A O no hydrogen 3.333 N/A SER 37.A OG.A ARG 34.A O no hydrogen 2.532 N/A SER 37.A OG.B LYS 33.A O no hydrogen 3.058 N/A LEU 38.A N LEU 35.A O no hydrogen 3.115 N/A GLY 39.A N SER 36.A O no hydrogen 2.829 N/A CYS 40.A N.A LEU 35.A O no hydrogen 3.230 N/A CYS 40.A SG.A LEU 35.A O no hydrogen 3.419 N/A HIS 41.A N HIS 1.A O no hydrogen 2.866 N/A LYS 43.A N VAL 3.A O no hydrogen 2.986 N/A PHE 45.A N VAL 5.A O no hydrogen 2.843 N/A GLY 46.A N ASP 44.A OD1 no hydrogen 2.758 N/A LEU 48.A N GLY 7.A O no hydrogen 2.857 N/A THR 51.A N GLU 75.A OE1 no hydrogen 2.990 N/A THR 51.A OG1 GLU 75.A OE1 no hydrogen 3.504 N/A THR 51.A OG1 GLU 75.A OE2 no hydrogen 2.512 N/A LYS 55.A NZ ASP 57.A OD1 no hydrogen 3.060 N/A LYS 55.A NZ ASP 57.A OD2 no hydrogen 3.401 N/A ASP 57.A N LYS 55.A O no hydrogen 2.822 N/A TYR 59.A N ILE 63.A O no hydrogen 2.943 N/A LEU 62.A N TYR 59.A O no hydrogen 3.017 N/A ILE 63.A N TYR 59.A O no hydrogen 2.914 N/A VAL 64.A N GLY 134.A O no hydrogen 3.058 N/A ASN 65.A ND2 GLN 12.A O no hydrogen 2.929 N/A ARG 67.A N ASP 56.A OD1 no hydrogen 2.903 N/A ARG 67.A NH1 ASP 56.A OD1 no hydrogen 2.874 N/A ARG 67.A NH1 ASP 57.A O no hydrogen 2.904 N/A SER 68.A N ASP 56.A OD2 no hydrogen 2.784 N/A SER 68.A OG ASP 56.A OD2 no hydrogen 2.632 N/A VAL 69.A N ASN 65.A O no hydrogen 2.998 N/A GLY 70.A N PRO 66.A O no hydrogen 2.864 N/A LEU 71.A N ARG 67.A O no hydrogen 2.884 N/A ALA 72.A N SER 68.A O no hydrogen 2.973 N/A ASN 73.A N VAL 69.A O no hydrogen 3.000 N/A ASN 73.A ND2 VAL 69.A O no hydrogen 3.036 N/A ASN 73.A ND2 SER 98.A O no hydrogen 2.984 N/A GLN 74.A N GLY 70.A O no hydrogen 2.944 N/A GLU 75.A N LEU 71.A O no hydrogen 2.900 N/A LEU 76.A N ALA 72.A O no hydrogen 2.837 N/A ALA 77.A N ASN 73.A O no hydrogen 2.819 N/A GLU 78.A N GLN 74.A O no hydrogen 3.241 N/A VAL 79.A N GLU 75.A O no hydrogen 3.364 N/A VAL 80.A N LEU 76.A O no hydrogen 2.914 N/A SER 81.A N ALA 77.A O no hydrogen 2.857 N/A ARG 82.A N GLU 78.A O no hydrogen 3.100 N/A ARG 82.A NE ASP 86.A OD1 no hydrogen 3.355 N/A ARG 82.A NE ASP 86.A OD2 no hydrogen 2.961 N/A ALA 83.A N VAL 79.A O no hydrogen 2.954 N/A VAL 84.A N VAL 80.A O no hydrogen 2.922 N/A SER 85.A N SER 81.A O no hydrogen 2.882 N/A SER 85.A OG SER 81.A O no hydrogen 3.116 N/A SER 85.A OG ARG 82.A O no hydrogen 2.758 N/A ASP 86.A N ARG 82.A O no hydrogen 2.958 N/A ASP 86.A N ALA 83.A O no hydrogen 3.195 N/A GLY 87.A N VAL 84.A O no hydrogen 2.962 N/A TYR 88.A N ALA 83.A O no hydrogen 3.024 N/A SER 89.A N SER 2.A O no hydrogen 2.931 N/A SER 89.A OG LEU 266.A O no hydrogen 3.422 N/A CYS 90.A N SER 267.A O no hydrogen 2.966 N/A VAL 91.A N ALA 4.A O no hydrogen 2.743 N/A THR 92.A N LEU 269.A O no hydrogen 2.831 N/A LEU 93.A N ILE 6.A O no hydrogen 2.826 N/A GLY 94.A N LEU 271.A O no hydrogen 2.901 N/A GLY 95.A N VAL 19.A O no hydrogen 2.943 N/A ASP 96.A N PHE 10.A O no hydrogen 2.914 N/A HIS 97.A N GLU 273.A OE2 no hydrogen 2.881 N/A HIS 97.A NE2 SER 226.A OG no hydrogen 2.816 N/A SER 98.A N ASP 96.A OD1 no hydrogen 2.859 N/A SER 98.A OG ASP 96.A OD1 no hydrogen 2.664 N/A LEU 99.A N.A ASP 96.A O no hydrogen 3.212 N/A ALA 100.A N HIS 97.A O no hydrogen 3.093 N/A ILE 101.A N SER 98.A O no hydrogen 3.082 N/A GLY 102.A N ASN 73.A OD1 no hydrogen 2.830 N/A THR 103.A N LEU 99.A O.A no hydrogen 2.975 N/A THR 103.A OG1 ASP 270.A OD1 no hydrogen 2.885 N/A THR 103.A OG1 ASP 270.A OD2 no hydrogen 3.188 N/A ILE 104.A N ALA 100.A O no hydrogen 2.966 N/A SER 105.A N ILE 101.A O no hydrogen 3.107 N/A SER 105.A OG ILE 101.A O no hydrogen 2.722 N/A GLY 106.A N GLY 102.A O no hydrogen 2.891 N/A HIS 107.A N THR 103.A O no hydrogen 2.859 N/A HIS 107.A ND1 HIS 224.A ND1 no hydrogen 2.898 N/A HIS 107.A NE2 SER 267.A OG no hydrogen 2.733 N/A ALA 108.A N ILE 104.A O no hydrogen 2.865 N/A ARG 109.A N SER 105.A O no hydrogen 2.981 N/A HIS 110.A N HIS 107.A O no hydrogen 3.055 N/A CYS 111.A N.A HIS 107.A O no hydrogen 2.828 N/A LEU 114.A N CYS 111.A O.A no hydrogen 3.164 N/A CYS 115.A N PRO 222.A O no hydrogen 2.962 N/A CYS 115.A SG PRO 222.A O no hydrogen 3.729 N/A VAL 116.A N SER 169.A O no hydrogen 2.869 N/A VAL 117.A N HIS 224.A O no hydrogen 2.908 N/A TRP 118.A N VAL 171.A O no hydrogen 2.916 N/A TRP 118.A NE1 ASP 120.A OD2 no hydrogen 3.042 N/A VAL 119.A N SER 226.A O no hydrogen 2.941 N/A ASP 120.A N ILE 173.A O no hydrogen 3.048 N/A ALA 121.A N ASP 230.A OD1 no hydrogen 3.300 N/A HIS 122.A N ASP 120.A OD1 no hydrogen 2.842 N/A ILE 125.A N GLU 182.A OE2 no hydrogen 2.964 N/A ASN 126.A N GLY 138.A O no hydrogen 3.281 N/A ASN 126.A ND2 ASP 179.A OD2 no hydrogen 2.843 N/A THR 127.A N THR 130.A OG1 no hydrogen 2.957 N/A LEU 129.A N THR 127.A OG1 no hydrogen 2.984 N/A THR 130.A N THR 127.A O no hydrogen 2.990 N/A THR 130.A OG1 ASN 126.A OD1 no hydrogen 2.779 N/A THR 130.A OG1 THR 127.A O no hydrogen 3.559 N/A THR 131.A N THR 127.A O no hydrogen 2.976 N/A SER 133.A N THR 131.A OG1 no hydrogen 3.208 N/A SER 133.A OG THR 131.A OG1 no hydrogen 3.251 N/A GLY 134.A N THR 131.A OG1 no hydrogen 2.977 N/A ASN 135.A N SER 133.A OG no hydrogen 3.048 N/A HIS 137.A N GLY 13.A O no hydrogen 2.861 N/A HIS 137.A ND1 GLU 273.A OE2 no hydrogen 2.814 N/A GLY 138.A N ASN 135.A O no hydrogen 3.099 N/A GLN 139.A N LEU 136.A O no hydrogen 3.064 N/A GLN 139.A NE2 ASN 135.A O no hydrogen 3.191 N/A VAL 141.A N ASP 124.A O no hydrogen 3.007 N/A SER 142.A N GLN 139.A O no hydrogen 3.006 N/A SER 142.A OG ASN 126.A O no hydrogen 2.942 N/A SER 142.A OG GLN 139.A O no hydrogen 2.913 N/A PHE 143.A N PRO 140.A O no hydrogen 3.161 N/A LEU 144.A N VAL 141.A O no hydrogen 3.045 N/A ARG 146.A N ILE 165.A O no hydrogen 2.823 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.769 N/A LEU 148.A N LEU 145.A O no hydrogen 3.247 N/A GLN 149.A N ARG 146.A O no hydrogen 3.320 N/A GLN 149.A NE2.B SER 142.A O no hydrogen 2.784 N/A GLN 149.A NE2.B LEU 145.A O no hydrogen 2.939 N/A LYS 151.A N LEU 148.A O no hydrogen 2.925 N/A LYS 151.A NZ ASP 150.A OD1 no hydrogen 3.445 N/A LYS 151.A NZ ASP 150.A OD2 no hydrogen 2.892 N/A VAL 152.A N GLN 149.A O no hydrogen 3.152 N/A PHE 158.A N LEU 155.A O no hydrogen 3.158 N/A TRP 160.A NE1 GLY 70.A O no hydrogen 3.097 N/A ILE 161.A N PHE 158.A O no hydrogen 3.217 N/A CYS 164.A SG LYS 162.A O no hydrogen 3.925 N/A SER 166.A OG.A GLU 147.A OE2 no hydrogen 2.800 N/A SER 166.A OG.B SER 169.A OG no hydrogen 2.746 N/A SER 167.A N GLU 147.A OE1 no hydrogen 2.834 N/A SER 167.A N GLU 147.A OE2 no hydrogen 3.484 N/A SER 167.A OG TYR 189.A O no hydrogen 3.530 N/A ALA 168.A N SER 166.A OG.A no hydrogen 3.177 N/A SER 169.A N SER 166.A O no hydrogen 2.875 N/A SER 169.A OG SER 166.A OG.B no hydrogen 2.746 N/A VAL 171.A N VAL 116.A O no hydrogen 2.992 N/A TYR 172.A N GLN 192.A O no hydrogen 3.217 N/A TYR 172.A OH ALA 123.A O no hydrogen 2.709 N/A ILE 173.A N TRP 118.A O no hydrogen 2.923 N/A GLY 174.A N PHE 194.A O no hydrogen 2.890 N/A ARG 176.A N ALA 121.A O no hydrogen 2.819 N/A ARG 176.A NE VAL 244.A O no hydrogen 2.969 N/A ARG 176.A NH1 ASP 230.A O no hydrogen 2.753 N/A ARG 176.A NH1 ALA 231.A O no hydrogen 3.301 N/A ARG 176.A NH1 PHE 232.A O no hydrogen 3.248 N/A ARG 176.A NH1 VAL 244.A O no hydrogen 2.958 N/A ARG 176.A NH2 GLY 174.A O no hydrogen 3.287 N/A ARG 176.A NH2 ALA 231.A O no hydrogen 2.936 N/A ASP 177.A N ALA 121.A O no hydrogen 2.963 N/A ASP 179.A N GLU 182.A OE1 no hydrogen 2.866 N/A HIS 183.A N ASP 179.A O no hydrogen 2.991 N/A PHE 184.A N PRO 180.A O no hydrogen 3.079 N/A ILE 185.A N PRO 181.A O no hydrogen 2.998 N/A LEU 186.A N GLU 182.A O no hydrogen 2.852 N/A LYS 187.A N HIS 183.A O no hydrogen 2.987 N/A LYS 187.A NZ TYR 193.A OH no hydrogen 3.562 N/A ASN 188.A N PHE 184.A O no hydrogen 2.757 N/A TYR 189.A N ILE 185.A O no hydrogen 3.016 N/A ASP 190.A N LYS 187.A O no hydrogen 3.200 N/A ILE 191.A N LEU 186.A O no hydrogen 2.893 N/A GLN 192.A NE2 ASP 190.A O no hydrogen 3.008 N/A PHE 194.A N TYR 172.A O no hydrogen 2.816 N/A SER 195.A N ASP 198.A OD2 no hydrogen 2.890 N/A SER 195.A OG ASP 198.A OD2 no hydrogen 3.313 N/A MET 196.A N LEU 175.A O no hydrogen 3.059 N/A ASP 198.A N SER 195.A OG no hydrogen 3.209 N/A ILE 199.A N SER 195.A O no hydrogen 2.993 N/A ASP 200.A N MET 196.A O no hydrogen 2.828 N/A ARG 201.A N ARG 197.A O no hydrogen 3.000 N/A LEU 202.A N ASP 198.A O no hydrogen 2.810 N/A GLY 203.A N ILE 199.A O no hydrogen 2.870 N/A GLN 205.A NE2 GLU 209.A OE1 no hydrogen 2.928 N/A VAL 207.A N GLY 203.A O no hydrogen 3.122 N/A MET 208.A N ILE 204.A O no hydrogen 2.953 N/A GLU 209.A N GLN 205.A O no hydrogen 3.007 N/A ARG 210.A N LYS 206.A O no hydrogen 2.913 N/A THR 211.A N VAL 207.A O no hydrogen 2.906 N/A THR 211.A OG1 VAL 207.A O no hydrogen 2.860 N/A PHE 212.A N MET 208.A O no hydrogen 3.031 N/A ASP 213.A N GLU 209.A O no hydrogen 3.011 N/A LEU 214.A N ARG 210.A O no hydrogen 3.059 N/A LEU 215.A N THR 211.A O no hydrogen 3.100 N/A ILE 216.A N PHE 212.A O no hydrogen 2.729 N/A ARG 219.A NE ASP 113.A OD2 no hydrogen 2.749 N/A ARG 219.A NH2 ASP 113.A OD1 no hydrogen 2.867 N/A ARG 219.A NH2 ASP 113.A OD2 no hydrogen 3.502 N/A ARG 221.A NE ASP 113.A O no hydrogen 2.910 N/A ARG 221.A NH1 LEU 215.A O no hydrogen 3.353 N/A ARG 221.A NH2 ASP 113.A O no hydrogen 3.495 N/A ARG 221.A NH2 SER 169.A OG no hydrogen 2.917 N/A ILE 223.A N LEU 265.A O no hydrogen 2.896 N/A HIS 224.A N CYS 115.A O no hydrogen 2.789 N/A HIS 224.A ND1 HIS 107.A ND1 no hydrogen 2.898 N/A HIS 224.A NE2 ASP 270.A OD2 no hydrogen 2.814 N/A LEU 225.A N ALA 268.A O no hydrogen 2.907 N/A SER 226.A N VAL 117.A O no hydrogen 2.866 N/A SER 226.A OG HIS 97.A NE2 no hydrogen 2.816 N/A SER 226.A OG ASP 270.A OD2 no hydrogen 2.727 N/A PHE 227.A N ASP 270.A O no hydrogen 2.872 N/A ASP 228.A N VAL 119.A O no hydrogen 2.883 N/A ILE 229.A N VAL 272.A O no hydrogen 3.054 N/A ASP 230.A N ASP 228.A OD1 no hydrogen 3.005 N/A ALA 231.A N ASP 228.A O no hydrogen 2.902 N/A PHE 232.A N ILE 229.A O no hydrogen 3.106 N/A ASP 233.A N LEU 248.A O no hydrogen 3.064 N/A THR 235.A N ASP 233.A OD2 no hydrogen 3.114 N/A THR 235.A OG1 ASP 233.A OD2 no hydrogen 2.739 N/A LEU 236.A N ASP 233.A O no hydrogen 2.827 N/A ALA 237.A N ASP 233.A O no hydrogen 3.005 N/A ALA 239.A N THR 288.A OG1 no hydrogen 3.155 N/A THR 240.A N PRO 238.A O no hydrogen 2.927 N/A THR 240.A OG1 GLU 273.A O no hydrogen 2.744 N/A THR 242.A OG1.B ASP 230.A OD2 no hydrogen 2.999 N/A GLY 246.A N ASP 233.A OD1 no hydrogen 2.884 N/A GLY 247.A N ASP 233.A OD1 no hydrogen 2.932 N/A LEU 248.A N ALA 231.A O no hydrogen 3.036 N/A THR 249.A N GLU 252.A OE1 no hydrogen 2.993 N/A TYR 250.A OH ASP 294.A OD2 no hydrogen 2.679 N/A GLU 252.A N THR 249.A OG1 no hydrogen 3.035 N/A GLY 253.A N THR 249.A O no hydrogen 3.032 N/A MET 254.A N TYR 250.A O no hydrogen 2.963 N/A TYR 255.A N ARG 251.A O no hydrogen 2.893 N/A ILE 256.A N GLU 252.A O no hydrogen 2.943 N/A ALA 257.A N GLY 253.A O no hydrogen 3.109 N/A GLU 258.A N MET 254.A O no hydrogen 2.844 N/A GLU 259.A N TYR 255.A O no hydrogen 2.959 N/A ILE 260.A N ILE 256.A O no hydrogen 2.924 N/A HIS 261.A N ALA 257.A O no hydrogen 2.882 N/A ASN 262.A N GLU 258.A O no hydrogen 2.872 N/A ASN 262.A ND2 GLU 259.A OE2 no hydrogen 3.031 N/A THR 263.A N GLU 259.A O no hydrogen 3.224 N/A THR 263.A N ILE 260.A O no hydrogen 3.272 N/A THR 263.A OG1 ILE 260.A O no hydrogen 2.748 N/A GLY 264.A N HIS 261.A O no hydrogen 2.983 N/A LEU 265.A N THR 263.A OG1 no hydrogen 3.013 N/A SER 267.A N ILE 223.A O no hydrogen 2.888 N/A SER 267.A OG HIS 107.A NE2 no hydrogen 2.733 N/A ALA 268.A N ILE 223.A O no hydrogen 3.334 N/A LEU 269.A N CYS 90.A O no hydrogen 2.822 N/A ASP 270.A N LEU 225.A O no hydrogen 2.823 N/A LEU 271.A N THR 92.A O no hydrogen 2.968 N/A VAL 272.A N PHE 227.A O no hydrogen 3.010 N/A GLU 273.A N GLY 95.A O no hydrogen 2.871 N/A ASN 275.A N ALA 239.A O no hydrogen 2.902 N/A ASN 275.A ND2 LYS 17.A O no hydrogen 2.978 N/A GLN 277.A N ASN 275.A OD1 no hydrogen 3.015 N/A LEU 278.A N ASN 275.A O no hydrogen 3.114 N/A ALA 279.A N PRO 276.A O no hydrogen 3.304 N/A THR 280.A N GLU 284.A OE1 no hydrogen 2.834 N/A THR 280.A OG1 GLU 284.A OE1 no hydrogen 3.477 N/A GLU 284.A N SER 281.A OG no hydrogen 3.151 N/A ALA 285.A N SER 281.A O no hydrogen 3.174 N/A LYS 286.A N GLU 282.A O no hydrogen 2.868 N/A THR 287.A N GLU 283.A O no hydrogen 2.894 N/A THR 287.A OG1.B GLU 283.A O no hydrogen 3.473 N/A THR 287.A OG1.B GLU 284.A O no hydrogen 3.261 N/A THR 288.A N GLU 284.A O no hydrogen 3.248 N/A THR 288.A OG1 GLU 284.A O no hydrogen 2.837 N/A ALA 289.A N ALA 285.A O no hydrogen 3.096 N/A ASN 290.A N LYS 286.A O no hydrogen 2.812 N/A LEU 291.A N THR 287.A O no hydrogen 2.958 N/A ALA 292.A N THR 288.A O no hydrogen 3.035 N/A VAL 293.A N ALA 289.A O no hydrogen 3.011 N/A ASP 294.A N ASN 290.A O no hydrogen 2.975 N/A VAL 295.A N LEU 291.A O no hydrogen 3.004 N/A ILE 296.A N ALA 292.A O no hydrogen 3.089 N/A ALA 297.A N VAL 293.A O no hydrogen 2.853 N/A SER 298.A N ASP 294.A O no hydrogen 2.931 N/A SER 298.A OG.A MET 254.A O no hydrogen 3.377 N/A SER 298.A OG.B ASP 294.A O no hydrogen 3.085 N/A SER 299.A N VAL 295.A O no hydrogen 2.973 N/A SER 299.A OG VAL 295.A O no hydrogen 2.828 N/A PHE 300.A N ILE 296.A O no hydrogen 3.203 N/A PHE 300.A N ALA 297.A O no hydrogen 3.120 N/A GLY 301.A N SER 298.A O no hydrogen 3.108 N/A GLN 302.A N ALA 297.A O no hydrogen 2.961 N/A THR 303.A OG1 GLY 306.A O no hydrogen 3.074 N/A ARG 304.A NE GLU 258.A OE2 no hydrogen 2.767 N/A ARG 304.A NH2 GLU 258.A OE1 no hydrogen 2.982 N/A ARG 304.A NH2 GLU 258.A OE2 no hydrogen 3.507 N/A GLU 305.A N THR 303.A OG1 no hydrogen 3.305 N/A