Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7awy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N GLY 16.A O no hydrogen 3.078 N/A SER 3.A OG GLY 16.A O no hydrogen 3.153 N/A SER 3.A OG VAL 40.A O no hydrogen 3.010 N/A VAL 6.A N TYR 14.A O no hydrogen 2.922 N/A GLY 8.A N THR 12.A O no hydrogen 2.827 N/A GLY 11.A N GLY 8.A O no hydrogen 2.793 N/A THR 12.A N ASP 10.A OD1 no hydrogen 2.981 N/A THR 12.A OG1 ASP 10.A OD1 no hydrogen 3.041 N/A THR 12.A OG1 ASP 10.A OD2 no hydrogen 3.252 N/A ILE 13.A N ILE 23.A O no hydrogen 2.829 N/A TYR 14.A N VAL 6.A O no hydrogen 2.771 N/A PHE 15.A N TYR 21.A O no hydrogen 3.057 N/A SER 17.A OG ASN 18.A OD1 no hydrogen 3.312 N/A ASN 18.A N SER 17.A OG no hydrogen 2.779 N/A ASN 18.A ND2 GLY 36.A O no hydrogen 2.949 N/A HIS 19.A ND1 ASN 32.A OD1 no hydrogen 2.802 N/A LEU 20.A N PHE 33.A O no hydrogen 2.821 N/A TYR 21.A N PHE 15.A O no hydrogen 2.834 N/A ALA 22.A N TRP 31.A O no hydrogen 2.908 N/A ILE 23.A N ILE 13.A O no hydrogen 2.717 N/A ASN 24.A N THR 28.A O no hydrogen 2.824 N/A ASN 24.A ND2 THR 28.A OG1 no hydrogen 2.833 N/A GLY 27.A N ASN 24.A O no hydrogen 2.851 N/A THR 28.A N ASP 26.A OD1 no hydrogen 3.084 N/A THR 28.A OG1 ASP 26.A OD1 no hydrogen 2.768 N/A LYS 30.A N ALA 22.A O no hydrogen 2.739 N/A LYS 30.A NZ ASN 24.A OD1 no hydrogen 3.155 N/A TRP 31.A N ALA 22.A O no hydrogen 3.322 N/A TRP 31.A NE1 PRO 65.A O no hydrogen 2.893 N/A PHE 33.A N LEU 20.A O no hydrogen 2.763 N/A VAL 40.A N SER 17.A O no hydrogen 3.019 N/A THR 41.A N THR 54.A O no hydrogen 2.919 N/A THR 41.A OG1 ARG 42.A O no hydrogen 3.393 N/A THR 41.A OG1 THR 54.A O no hydrogen 3.457 N/A THR 41.A OG1 THR 54.A OG1 no hydrogen 3.066 N/A ARG 42.A NH1 ARG 42.A O no hydrogen 2.899 N/A ARG 42.A NH1 PRO 83.A O no hydrogen 2.834 N/A ARG 42.A NH2 PRO 83.A O no hydrogen 2.954 N/A ALA 44.A N TYR 52.A O no hydrogen 2.980 N/A SER 46.A N THR 50.A O no hydrogen 2.864 N/A SER 46.A OG ASP 48.A OD2 no hydrogen 2.628 N/A GLY 49.A N SER 46.A O no hydrogen 2.870 N/A THR 50.A N SER 46.A OG no hydrogen 3.131 N/A THR 50.A N ASP 48.A OD2 no hydrogen 3.137 N/A THR 50.A OG1 ASP 48.A OD2 no hydrogen 2.677 N/A ILE 51.A N ILE 63.A O no hydrogen 2.878 N/A TYR 52.A N ALA 44.A O no hydrogen 2.861 N/A VAL 53.A N TYR 61.A O no hydrogen 3.150 N/A THR 54.A N THR 41.A OG1 no hydrogen 2.998 N/A THR 54.A OG1 THR 41.A OG1 no hydrogen 3.066 N/A THR 54.A OG1 SER 81.A O no hydrogen 2.829 N/A SER 55.A N HIS 59.A O no hydrogen 2.853 N/A SER 55.A OG ASP 57.A OD2 no hydrogen 2.566 N/A LEU 56.A N THR 39.A O no hydrogen 3.036 N/A GLY 58.A N SER 55.A O no hydrogen 2.996 N/A HIS 59.A N SER 55.A OG no hydrogen 3.124 N/A HIS 59.A ND1 TYR 61.A OH no hydrogen 2.780 N/A LEU 60.A N PHE 73.A O no hydrogen 2.847 N/A TYR 61.A N VAL 53.A O no hydrogen 2.853 N/A ALA 62.A N TRP 71.A O no hydrogen 2.884 N/A ILE 63.A N ILE 51.A O no hydrogen 2.692 N/A ASN 64.A N THR 68.A O no hydrogen 2.710 N/A ASN 64.A ND2 THR 68.A OG1 no hydrogen 3.016 N/A GLY 67.A N ASN 64.A O no hydrogen 2.824 N/A THR 68.A N ASP 66.A OD1 no hydrogen 3.052 N/A THR 68.A OG1 ASP 66.A OD1 no hydrogen 2.644 N/A LYS 70.A N ALA 62.A O no hydrogen 2.737 N/A LYS 70.A NZ THR 50.A OG1 no hydrogen 3.378 N/A TRP 71.A N ALA 62.A O no hydrogen 3.283 N/A TRP 71.A NE1 PRO 105.A O no hydrogen 2.825 N/A ARG 72.A NE GLU 69.A OE2 no hydrogen 2.838 N/A ARG 72.A NH2 GLU 69.A OE1 no hydrogen 2.916 N/A ARG 72.A NH2 GLU 69.A OE2 no hydrogen 3.514 N/A PHE 73.A N LEU 60.A O no hydrogen 2.800 N/A THR 75.A N GLY 58.A O no hydrogen 2.932 N/A THR 75.A OG1 GLY 58.A O no hydrogen 2.775 N/A THR 75.A OG1 LYS 77.A O no hydrogen 3.267 N/A LYS 77.A N THR 75.A OG1 no hydrogen 3.235 N/A ARG 78.A NE GLU 80.A OE1 no hydrogen 2.795 N/A ARG 78.A NH1 GLU 80.A OE1 no hydrogen 3.156 N/A ILE 79.A N LEU 56.A O no hydrogen 3.267 N/A SER 81.A OG SER 121.A O no hydrogen 2.586 N/A VAL 84.A N.A TYR 92.A O no hydrogen 3.012 N/A VAL 84.A N.B TYR 92.A O no hydrogen 3.008 N/A GLY 86.A N THR 90.A O no hydrogen 2.829 N/A ASN 87.A ND2 TYR 92.A OH no hydrogen 2.957 N/A ASN 87.A ND2 GLY 129.A O no hydrogen 2.889 N/A THR 90.A N GLY 86.A O no hydrogen 2.866 N/A THR 90.A OG1 ASN 87.A O no hydrogen 2.836 N/A ILE 91.A N ILE 103.A O no hydrogen 2.936 N/A TYR 92.A N VAL 84.A O.A no hydrogen 2.797 N/A TYR 92.A N VAL 84.A O.B no hydrogen 2.787 N/A PHE 93.A N TYR 101.A O no hydrogen 3.142 N/A GLY 94.A N SER 81.A OG no hydrogen 2.869 N/A SER 95.A N HIS 99.A O no hydrogen 2.895 N/A TYR 96.A N ARG 78.A O no hydrogen 2.924 N/A TYR 96.A OH GLU 80.A OE2 no hydrogen 3.102 N/A ASP 97.A N SER 95.A OG no hydrogen 2.951 N/A GLY 98.A N SER 95.A O no hydrogen 2.952 N/A HIS 99.A N ASP 97.A OD1 no hydrogen 2.902 N/A HIS 99.A ND1 ASP 97.A OD1 no hydrogen 2.843 N/A LEU 100.A N PHE 113.A O no hydrogen 2.897 N/A TYR 101.A N PHE 93.A O no hydrogen 2.851 N/A TYR 101.A OH ASP 97.A OD2 no hydrogen 2.772 N/A ALA 102.A N TRP 111.A O no hydrogen 2.879 N/A ILE 103.A N ILE 91.A O no hydrogen 2.732 N/A ASN 104.A N THR 108.A O no hydrogen 2.750 N/A ASN 104.A ND2 THR 108.A OG1 no hydrogen 3.075 N/A GLY 107.A N ASN 104.A O no hydrogen 2.859 N/A THR 108.A N ASP 106.A OD1 no hydrogen 3.085 N/A THR 108.A OG1 ASP 106.A OD1 no hydrogen 2.678 N/A LYS 110.A N ALA 102.A O no hydrogen 2.715 N/A LYS 110.A NZ ASN 104.A OD1 no hydrogen 3.284 N/A TRP 111.A N ALA 102.A O no hydrogen 3.309 N/A TRP 111.A NE1 PRO 143.A O no hydrogen 2.911 N/A ARG 112.A NE GLU 109.A OE2 no hydrogen 2.832 N/A ARG 112.A NH2 GLU 109.A OE1 no hydrogen 2.820 N/A ARG 112.A NH2 GLU 109.A OE2 no hydrogen 3.545 N/A PHE 113.A N LEU 100.A O no hydrogen 2.833 N/A LYS 114.A NZ ASP 97.A O no hydrogen 2.788 N/A THR 115.A N GLY 98.A O no hydrogen 2.895 N/A THR 115.A OG1 GLY 98.A O no hydrogen 2.604 N/A LYS 117.A N THR 115.A OG1 no hydrogen 3.337 N/A ILE 119.A N SER 95.A O no hydrogen 3.127 N/A SER 121.A OG GLY 134.A O no hydrogen 2.625 N/A VAL 124.A N TYR 132.A O no hydrogen 2.868 N/A GLY 126.A N THR 130.A O no hydrogen 2.818 N/A GLY 129.A N GLY 126.A O no hydrogen 2.879 N/A THR 130.A N ASP 128.A OD1 no hydrogen 2.993 N/A THR 130.A OG1 ASP 128.A OD1 no hydrogen 2.900 N/A THR 130.A OG1 ASP 128.A OD2 no hydrogen 3.359 N/A ILE 131.A N ILE 141.A O no hydrogen 2.841 N/A TYR 132.A N VAL 124.A O no hydrogen 2.779 N/A PHE 133.A N TYR 139.A O no hydrogen 3.018 N/A SER 135.A N HIS 137.A O no hydrogen 2.886 N/A SER 135.A OG ASN 136.A OD1 no hydrogen 3.254 N/A ASN 136.A ND2 ASN 116.A OD1 no hydrogen 2.878 N/A HIS 137.A NE2 ASN 150.A OD1 no hydrogen 3.019 N/A LEU 138.A N PHE 151.A O no hydrogen 2.866 N/A TYR 139.A N PHE 133.A O no hydrogen 2.858 N/A TYR 139.A OH ASN 136.A OD1 no hydrogen 2.656 N/A ALA 140.A N TRP 149.A O no hydrogen 2.939 N/A ILE 141.A N ILE 131.A O no hydrogen 2.766 N/A ASN 142.A N THR 146.A O no hydrogen 2.793 N/A ASN 142.A ND2 THR 146.A O no hydrogen 3.406 N/A ASN 142.A ND2 THR 146.A OG1 no hydrogen 3.029 N/A GLY 145.A N ASN 142.A O no hydrogen 2.874 N/A THR 146.A N ASP 144.A OD2 no hydrogen 3.048 N/A THR 146.A OG1 ASP 144.A OD2 no hydrogen 2.707 N/A LYS 148.A N ALA 140.A O no hydrogen 2.717 N/A TRP 149.A N ALA 140.A O no hydrogen 3.285 N/A TRP 149.A NE1 PRO 183.A O no hydrogen 2.990 N/A ASN 150.A ND2 GLU 147.A OE2 no hydrogen 2.901 N/A PHE 151.A N LEU 138.A O no hydrogen 2.827 N/A TRP 156.A N ALA 153.A O no hydrogen 3.350 N/A VAL 158.A N SER 135.A O no hydrogen 2.921 N/A THR 159.A N THR 172.A O no hydrogen 2.884 N/A THR 159.A OG1 ARG 160.A O no hydrogen 3.528 N/A THR 159.A OG1 THR 172.A O no hydrogen 3.336 N/A THR 159.A OG1 THR 172.A OG1 no hydrogen 2.951 N/A ARG 160.A NH1 PRO 201.A O no hydrogen 2.845 N/A ARG 160.A NH2 ARG 160.A O no hydrogen 2.891 N/A ARG 160.A NH2 PRO 201.A O no hydrogen 2.774 N/A ALA 162.A N TYR 170.A O no hydrogen 2.900 N/A SER 164.A N THR 168.A O no hydrogen 2.837 N/A SER 164.A OG ASP 166.A OD1 no hydrogen 2.612 N/A GLY 167.A N SER 164.A O no hydrogen 2.900 N/A THR 168.A N ASP 166.A OD1 no hydrogen 2.949 N/A THR 168.A OG1 ASP 166.A OD1 no hydrogen 2.689 N/A ILE 169.A N ILE 181.A O no hydrogen 2.853 N/A TYR 170.A N ALA 162.A O no hydrogen 2.782 N/A VAL 171.A N TYR 179.A O no hydrogen 3.128 N/A THR 172.A N THR 159.A OG1 no hydrogen 3.091 N/A THR 172.A OG1 THR 159.A OG1 no hydrogen 2.951 N/A THR 172.A OG1 SER 199.A O no hydrogen 2.711 N/A SER 173.A N HIS 177.A O no hydrogen 2.880 N/A SER 173.A OG ASP 175.A OD1 no hydrogen 2.592 N/A LEU 174.A N THR 157.A O no hydrogen 2.912 N/A GLY 176.A N SER 173.A O no hydrogen 2.881 N/A HIS 177.A N SER 173.A OG no hydrogen 3.226 N/A HIS 177.A ND1 ASP 175.A OD2 no hydrogen 2.640 N/A LEU 178.A N PHE 191.A O no hydrogen 2.799 N/A TYR 179.A N VAL 171.A O no hydrogen 2.827 N/A ALA 180.A N TRP 189.A O no hydrogen 2.896 N/A ILE 181.A N ILE 169.A O no hydrogen 2.677 N/A ASN 182.A N THR 186.A O no hydrogen 2.772 N/A ASN 182.A ND2 THR 186.A O no hydrogen 3.339 N/A ASN 182.A ND2 THR 186.A OG1 no hydrogen 3.108 N/A GLY 185.A N ASN 182.A O no hydrogen 2.904 N/A THR 186.A N ASP 184.A OD1 no hydrogen 3.122 N/A THR 186.A OG1 ASP 184.A OD1 no hydrogen 2.701 N/A LYS 188.A N ALA 180.A O no hydrogen 2.735 N/A LYS 188.A NZ THR 168.A OG1 no hydrogen 3.332 N/A TRP 189.A N ALA 180.A O no hydrogen 3.268 N/A TRP 189.A NE1 PRO 223.A O no hydrogen 2.906 N/A ARG 190.A NE GLU 187.A OE2 no hydrogen 2.743 N/A ARG 190.A NH2 GLU 187.A OE1 no hydrogen 2.762 N/A ARG 190.A NH2 GLU 187.A OE2 no hydrogen 3.317 N/A PHE 191.A N LEU 178.A O no hydrogen 2.765 N/A THR 193.A N GLY 176.A O no hydrogen 2.866 N/A THR 193.A OG1 GLY 176.A O no hydrogen 2.670 N/A THR 193.A OG1 LYS 195.A O no hydrogen 3.253 N/A ARG 196.A NE GLU 198.A OE2 no hydrogen 2.587 N/A ARG 196.A NH2 GLU 198.A OE2 no hydrogen 2.774 N/A ILE 197.A N LEU 174.A O no hydrogen 3.228 N/A SER 199.A OG SER 200.A O no hydrogen 3.510 N/A SER 199.A OG SER 239.A O no hydrogen 2.777 N/A SER 200.A N THR 240.A OG1 no hydrogen 3.065 N/A SER 200.A OG THR 240.A OG1 no hydrogen 3.303 N/A VAL 202.A N TYR 210.A O no hydrogen 2.911 N/A GLY 204.A N THR 208.A O no hydrogen 2.929 N/A ASN 205.A ND2 TYR 210.A OH no hydrogen 2.895 N/A ASN 205.A ND2 GLY 247.A O no hydrogen 2.957 N/A THR 208.A N GLY 204.A O no hydrogen 2.961 N/A ILE 209.A N ILE 221.A O no hydrogen 2.903 N/A TYR 210.A N VAL 202.A O no hydrogen 2.768 N/A PHE 211.A N TYR 219.A O no hydrogen 3.103 N/A GLY 212.A N SER 199.A OG no hydrogen 2.961 N/A SER 213.A N HIS 217.A O no hydrogen 2.937 N/A TYR 214.A N ARG 196.A O no hydrogen 3.014 N/A ASP 215.A N SER 213.A OG no hydrogen 2.807 N/A GLY 216.A N SER 213.A O no hydrogen 2.950 N/A HIS 217.A N ASP 215.A OD1 no hydrogen 2.872 N/A HIS 217.A ND1 ASP 215.A OD1 no hydrogen 2.906 N/A LEU 218.A N PHE 231.A O no hydrogen 2.872 N/A TYR 219.A N PHE 211.A O no hydrogen 2.833 N/A TYR 219.A OH ASP 215.A OD2 no hydrogen 2.751 N/A ALA 220.A N TRP 229.A O no hydrogen 2.932 N/A ILE 221.A N ILE 209.A O no hydrogen 2.768 N/A ASN 222.A N THR 226.A O no hydrogen 2.813 N/A ASN 222.A ND2 THR 226.A O no hydrogen 3.250 N/A ASN 222.A ND2 THR 226.A OG1 no hydrogen 3.097 N/A GLY 225.A N ASN 222.A O no hydrogen 2.900 N/A THR 226.A N ASP 224.A OD1 no hydrogen 3.012 N/A THR 226.A OG1 ASP 224.A OD1 no hydrogen 2.609 N/A THR 226.A OG1 ASP 224.A OD2 no hydrogen 3.556 N/A LYS 228.A N ALA 220.A O no hydrogen 2.757 N/A TRP 229.A N ALA 220.A O no hydrogen 3.273 N/A TRP 229.A NE1 PRO 261.A O no hydrogen 2.822 N/A ARG 230.A NE GLU 227.A OE2 no hydrogen 2.765 N/A ARG 230.A NH2 GLU 227.A OE1 no hydrogen 2.748 N/A ARG 230.A NH2 GLU 227.A OE2 no hydrogen 3.370 N/A PHE 231.A N LEU 218.A O no hydrogen 2.810 N/A THR 233.A N GLY 216.A O no hydrogen 2.874 N/A THR 233.A OG1 GLY 216.A O no hydrogen 2.756 N/A LYS 235.A N THR 233.A OG1 no hydrogen 3.249 N/A ILE 237.A N SER 213.A O no hydrogen 3.052 N/A SER 239.A OG GLY 252.A O no hydrogen 2.660 N/A VAL 242.A N TYR 250.A O no hydrogen 2.841 N/A GLY 244.A N THR 248.A O no hydrogen 2.882 N/A GLY 247.A N GLY 244.A O no hydrogen 2.906 N/A THR 248.A N ASP 246.A OD1 no hydrogen 3.083 N/A THR 248.A OG1 ASP 246.A OD1 no hydrogen 2.899 N/A THR 248.A OG1 ASP 246.A OD2 no hydrogen 2.936 N/A ILE 249.A N ILE 259.A O no hydrogen 2.877 N/A TYR 250.A N VAL 242.A O no hydrogen 2.750 N/A PHE 251.A N TYR 257.A O no hydrogen 3.094 N/A SER 253.A N HIS 255.A O no hydrogen 2.954 N/A SER 253.A OG ASN 254.A OD1 no hydrogen 3.279 N/A ASN 254.A ND2 ASN 234.A OD1 no hydrogen 2.867 N/A HIS 255.A NE2 ASN 268.A OD1 no hydrogen 2.770 N/A LEU 256.A N PHE 269.A O no hydrogen 2.947 N/A TYR 257.A N PHE 251.A O no hydrogen 2.897 N/A TYR 257.A OH ASN 254.A OD1 no hydrogen 2.722 N/A ALA 258.A N TRP 267.A O no hydrogen 2.951 N/A ILE 259.A N ILE 249.A O no hydrogen 2.787 N/A ASN 260.A N THR 264.A O no hydrogen 2.817 N/A ASN 260.A ND2 THR 264.A O no hydrogen 3.332 N/A ASN 260.A ND2 THR 264.A OG1 no hydrogen 3.051 N/A GLY 263.A N ASN 260.A O no hydrogen 2.796 N/A THR 264.A N ASP 262.A OD1 no hydrogen 2.988 N/A THR 264.A OG1 ASP 262.A OD1 no hydrogen 2.543 N/A LYS 266.A N ALA 258.A O no hydrogen 2.748 N/A LYS 266.A NZ ASP 246.A OD2 no hydrogen 3.084 N/A LYS 266.A NZ THR 248.A OG1 no hydrogen 3.204 N/A TRP 267.A N ALA 258.A O no hydrogen 3.300 N/A TRP 267.A NE1 PRO 301.A O no hydrogen 2.829 N/A PHE 269.A N LEU 256.A O no hydrogen 2.871 N/A TRP 274.A N ALA 271.A O no hydrogen 3.377 N/A VAL 276.A N SER 253.A O no hydrogen 2.975 N/A THR 277.A N THR 290.A O no hydrogen 2.903 N/A THR 277.A OG1 ARG 278.A O no hydrogen 2.921 N/A THR 277.A OG1 THR 290.A O no hydrogen 3.488 N/A ARG 278.A NE THR 240.A O no hydrogen 2.896 N/A ARG 278.A NE PRO 241.A O no hydrogen 3.470 N/A ARG 278.A NH2 PRO 241.A O no hydrogen 2.928 N/A ALA 280.A N TYR 288.A O no hydrogen 2.904 N/A SER 282.A N THR 286.A O no hydrogen 2.858 N/A SER 282.A OG ASP 284.A OD2 no hydrogen 2.648 N/A SER 282.A OG THR 286.A O no hydrogen 3.305 N/A GLY 285.A N SER 282.A O no hydrogen 2.716 N/A THR 286.A N ASP 284.A OD2 no hydrogen 2.932 N/A THR 286.A OG1 ASP 284.A OD2 no hydrogen 2.804 N/A ILE 287.A N ILE 299.A O no hydrogen 2.861 N/A TYR 288.A N ALA 280.A O no hydrogen 2.776 N/A VAL 289.A N TYR 297.A O no hydrogen 3.125 N/A THR 290.A N THR 277.A OG1 no hydrogen 3.023 N/A SER 291.A N HIS 295.A O no hydrogen 2.894 N/A SER 291.A OG ASP 293.A OD1 no hydrogen 2.593 N/A SER 291.A OG HIS 295.A O no hydrogen 3.496 N/A LEU 292.A N THR 275.A O no hydrogen 2.903 N/A GLY 294.A N SER 291.A O no hydrogen 2.852 N/A HIS 295.A N SER 291.A OG no hydrogen 3.231 N/A HIS 295.A ND1 ASP 293.A OD1 no hydrogen 2.833 N/A LEU 296.A N PHE 309.A O no hydrogen 2.821 N/A TYR 297.A N VAL 289.A O no hydrogen 2.840 N/A ALA 298.A N TRP 307.A O no hydrogen 2.829 N/A ILE 299.A N ILE 287.A O no hydrogen 2.687 N/A ASN 300.A N THR 304.A O no hydrogen 2.732 N/A ASN 300.A ND2 THR 304.A OG1 no hydrogen 3.049 N/A GLY 303.A N ASN 300.A O no hydrogen 2.851 N/A THR 304.A N ASP 302.A OD1 no hydrogen 3.087 N/A THR 304.A OG1 ASP 302.A OD1 no hydrogen 2.707 N/A LYS 306.A N ALA 298.A O no hydrogen 2.741 N/A LYS 306.A NZ THR 286.A OG1 no hydrogen 3.063 N/A TRP 307.A N ALA 298.A O no hydrogen 3.239 N/A TRP 307.A NE1 PRO 25.A O no hydrogen 2.867 N/A ARG 308.A NE GLU 305.A OE2 no hydrogen 2.734 N/A ARG 308.A NH2 GLU 305.A OE1 no hydrogen 2.917 N/A ARG 308.A NH2 GLU 305.A OE2 no hydrogen 3.482 N/A PHE 309.A N LEU 296.A O no hydrogen 2.833 N/A LYS 310.A NZ ASP 293.A O no hydrogen 2.949 N/A THR 311.A OG1 GLU 29.A OE1 no hydrogen 3.153 N/A