Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rao_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N GLU 300.A OE1 no hydrogen 2.818 N/A GLU 6.A N THR 305.A O no hydrogen 2.876 N/A GLY 8.A N LEU 307.A O no hydrogen 2.652 N/A PHE 9.A N THR 46.A O no hydrogen 2.959 N/A TRP 10.A N LEU 309.A O no hydrogen 2.991 N/A TRP 10.A NE1 LEU 308.A O no hydrogen 3.159 N/A LEU 11.A N LEU 48.A O no hydrogen 2.930 N/A TRP 17.A N GLU 24.A OE1 no hydrogen 3.057 N/A TRP 17.A NE1 GLN 314.A OE1 no hydrogen 2.757 N/A LEU 18.A N GLU 24.A OE2 no hydrogen 2.836 N/A ARG 19.A NE ASP 56.A O no hydrogen 3.289 N/A ARG 19.A NH1 ASP 56.A O no hydrogen 3.320 N/A ARG 19.A NH2 TYR 274.A O no hydrogen 2.862 N/A ASN 20.A ND2 ILE 254.A O no hydrogen 2.854 N/A VAL 21.A N LEU 18.A O no hydrogen 3.455 N/A SER 25.A N ASP 23.A OD1 no hydrogen 3.239 N/A THR 28.A N PRO 26.A O no hydrogen 2.878 N/A TYR 31.A N THR 28.A OG1 no hydrogen 3.039 N/A ALA 32.A N THR 28.A O no hydrogen 3.116 N/A LYS 33.A N PHE 29.A O no hydrogen 2.837 N/A GLN 34.A N GLU 30.A O no hydrogen 3.009 N/A THR 35.A N TYR 31.A O no hydrogen 2.999 N/A THR 35.A OG1 TYR 31.A O no hydrogen 2.825 N/A ALA 36.A N ALA 32.A O no hydrogen 2.851 N/A GLN 37.A N LYS 33.A O no hydrogen 2.811 N/A GLN 37.A NE2 VAL 77.A O no hydrogen 2.868 N/A ALA 38.A N GLN 34.A O no hydrogen 3.006 N/A ALA 39.A N THR 35.A O no hydrogen 2.919 N/A GLU 40.A N ALA 36.A O no hydrogen 3.214 N/A LEU 42.A N ALA 38.A O no hydrogen 2.973 N/A LEU 42.A N ALA 39.A O no hydrogen 3.111 N/A PHE 44.A N ALA 39.A O no hydrogen 2.992 N/A SER 45.A N TYR 7.A O no hydrogen 2.923 N/A SER 45.A OG GLU 6.A OE2 no hydrogen 3.385 N/A SER 45.A OG THR 46.A OG1 no hydrogen 3.016 N/A THR 46.A OG1 SER 45.A OG no hydrogen 3.016 N/A THR 47.A N GLU 82.A O no hydrogen 2.868 N/A THR 47.A OG1 PHE 9.A O no hydrogen 3.081 N/A LEU 48.A N PHE 9.A O no hydrogen 3.012 N/A ASN 53.A N GLU 122.A OE2 no hydrogen 2.820 N/A ASN 53.A ND2 GLU 122.A OE2 no hydrogen 3.071 N/A ASN 55.A ND2 PHE 14.A O no hydrogen 2.880 N/A ASN 55.A ND2 PRO 63.A O no hydrogen 2.964 N/A ILE 57.A N ASN 55.A OD1 no hydrogen 2.954 N/A LYS 58.A N ASN 55.A OD1 no hydrogen 2.813 N/A LYS 58.A NZ LEU 18.A O no hydrogen 3.038 N/A LYS 58.A NZ VAL 21.A O no hydrogen 2.743 N/A LYS 58.A NZ ASN 22.A O no hydrogen 3.187 N/A LYS 58.A NZ GLU 24.A OE2 no hydrogen 2.744 N/A GLY 59.A N ASN 55.A O no hydrogen 3.095 N/A ALA 62.A N GLY 59.A O no hydrogen 2.665 N/A LEU 65.A N ILE 13.A O no hydrogen 2.936 N/A TRP 68.A N GLU 66.A OE2 no hydrogen 3.011 N/A TRP 68.A NE1 ALA 85.A O no hydrogen 3.214 N/A THR 69.A N GLU 66.A OE1 no hydrogen 2.796 N/A THR 69.A OG1 GLU 66.A OE1 no hydrogen 2.638 N/A THR 70.A N GLU 66.A O no hydrogen 3.136 N/A THR 70.A OG1 GLU 66.A O no hydrogen 2.479 N/A ALA 71.A N ALA 67.A O no hydrogen 2.828 N/A ALA 72.A N TRP 68.A O no hydrogen 3.084 N/A ALA 73.A N THR 69.A O no hydrogen 3.050 N/A LEU 74.A N THR 70.A O no hydrogen 2.794 N/A ALA 75.A N ALA 71.A O no hydrogen 2.878 N/A ALA 76.A N ALA 72.A O no hydrogen 3.259 N/A ALA 76.A N ALA 73.A O no hydrogen 3.213 N/A VAL 77.A N LEU 74.A O no hydrogen 3.218 N/A THR 78.A OG1 LEU 74.A O no hydrogen 2.708 N/A ASP 79.A N GLU 40.A OE2 no hydrogen 3.144 N/A ARG 80.A N GLU 40.A OE2 no hydrogen 2.867 N/A ARG 80.A NH1 ASP 79.A OD1 no hydrogen 2.919 N/A ARG 80.A NH2 GLU 40.A O no hydrogen 3.347 N/A LEU 81.A N GLU 40.A OE2 no hydrogen 2.870 N/A GLU 82.A N SER 45.A O no hydrogen 3.009 N/A ILE 83.A N ARG 109.A O no hydrogen 2.814 N/A ALA 85.A N ILE 49.A O no hydrogen 3.026 N/A VAL 86.A N ASN 113.A O no hydrogen 2.989 N/A ARG 87.A N GLU 51.A OE1 no hydrogen 3.086 N/A ARG 87.A NE GLU 51.A OE1 no hydrogen 2.688 N/A ARG 87.A NH1 GLU 122.A OE1 no hydrogen 2.934 N/A ARG 87.A NH1 GLU 122.A OE2 no hydrogen 3.514 N/A ARG 87.A NH2 GLU 122.A OE2 no hydrogen 2.852 N/A PHE 90.A N ARG 87.A O no hydrogen 2.947 N/A HIS 91.A N PRO 88.A O no hydrogen 3.009 N/A HIS 91.A ND1 THR 96.A OG1 no hydrogen 3.042 N/A HIS 91.A NE2 GLU 51.A OE2 no hydrogen 2.596 N/A ALA 94.A N ASN 92.A OD1 no hydrogen 2.824 N/A VAL 95.A N ASN 92.A OD1 no hydrogen 3.118 N/A THR 96.A N ASN 92.A O no hydrogen 2.884 N/A THR 96.A OG1 HIS 91.A ND1 no hydrogen 3.042 N/A THR 96.A OG1 ASN 92.A O no hydrogen 2.847 N/A ALA 97.A N PRO 93.A O no hydrogen 2.978 N/A LYS 98.A N ALA 94.A O no hydrogen 3.193 N/A ALA 100.A N ALA 97.A O no hydrogen 2.963 N/A ASN 101.A N LYS 98.A O no hydrogen 2.983 N/A ASP 103.A N ALA 99.A O no hydrogen 2.959 N/A GLN 104.A N ALA 100.A O no hydrogen 2.754 N/A GLN 104.A NE2 LYS 173.A O no hydrogen 2.702 N/A LEU 105.A N ASN 101.A O no hydrogen 2.909 N/A SER 106.A N ILE 102.A O no hydrogen 2.897 N/A SER 106.A OG ILE 102.A O no hydrogen 2.747 N/A SER 106.A OG ASP 103.A O no hydrogen 3.108 N/A ASN 107.A N GLN 104.A O no hydrogen 3.112 N/A GLY 108.A N ASP 103.A O no hydrogen 2.858 N/A ARG 109.A N SER 106.A OG no hydrogen 3.185 N/A ARG 109.A NE SER 106.A O no hydrogen 2.963 N/A ARG 109.A NH1 THR 78.A OG1 no hydrogen 3.040 N/A ARG 109.A NH1 LEU 81.A O no hydrogen 2.766 N/A ARG 109.A NH2 ALA 75.A O no hydrogen 3.019 N/A PHE 110.A N ASP 103.A OD1 no hydrogen 3.088 N/A THR 111.A N ILE 83.A O no hydrogen 2.985 N/A THR 111.A OG1 GLU 82.A OE2 no hydrogen 2.796 N/A LEU 112.A N LYS 181.A O no hydrogen 3.101 N/A ASN 113.A N THR 84.A O no hydrogen 2.843 N/A VAL 114.A N TYR 183.A O no hydrogen 2.942 N/A VAL 115.A N VAL 86.A O no hydrogen 2.952 N/A SER 116.A OG THR 140.A OG1 no hydrogen 2.694 N/A ALA 123.A N TRP 119.A O no hydrogen 3.022 N/A LYS 124.A N GLU 120.A O no hydrogen 3.045 N/A LYS 124.A NZ GLU 120.A OE2 no hydrogen 2.932 N/A GLN 125.A N GLU 121.A O no hydrogen 3.071 N/A GLN 125.A NE2 GLU 121.A OE2 no hydrogen 2.733 N/A TYR 126.A N GLU 122.A O no hydrogen 2.806 N/A GLY 128.A N ALA 123.A O no hydrogen 2.985 N/A VAL 129.A N GLY 89.A O no hydrogen 3.239 N/A ARG 139.A N GLU 135.A O no hydrogen 3.174 N/A ARG 139.A NE THR 131.A OG1 no hydrogen 3.135 N/A ARG 139.A NH1 TYR 163.A OH no hydrogen 3.062 N/A THR 140.A N ARG 136.A O no hydrogen 3.178 N/A THR 140.A OG1 SER 116.A OG no hydrogen 2.694 N/A THR 140.A OG1 ARG 136.A O no hydrogen 3.568 N/A GLU 141.A N TYR 137.A O no hydrogen 2.991 N/A GLU 142.A N ASP 138.A O no hydrogen 3.098 N/A PHE 143.A N ARG 139.A O no hydrogen 2.849 N/A VAL 144.A N THR 140.A O no hydrogen 2.945 N/A THR 145.A N GLU 141.A O no hydrogen 3.024 N/A THR 145.A OG1 GLU 141.A O no hydrogen 2.840 N/A ILE 146.A N GLU 142.A O no hydrogen 2.923 N/A LEU 147.A N PHE 143.A O no hydrogen 3.065 N/A LYS 148.A N VAL 144.A O no hydrogen 3.121 N/A LYS 148.A NZ HIS 198.A O no hydrogen 2.687 N/A GLY 149.A N THR 145.A O no hydrogen 3.052 N/A LEU 150.A N ILE 146.A O no hydrogen 2.995 N/A TRP 151.A N LEU 147.A O no hydrogen 3.047 N/A TRP 151.A NE1 ALA 97.A O no hydrogen 3.058 N/A LYS 152.A N GLY 149.A O no hydrogen 3.243 N/A GLU 153.A N GLY 149.A O no hydrogen 2.910 N/A PHE 156.A N THR 168.A O no hydrogen 2.942 N/A TYR 158.A N LEU 165.A O no hydrogen 2.713 N/A GLY 160.A N TYR 163.A O no hydrogen 2.987 N/A ASN 161.A N GLU 142.A OE2 no hydrogen 2.830 N/A PHE 162.A N GLU 142.A OE1 no hydrogen 2.890 N/A LEU 165.A N TYR 158.A O no hydrogen 2.793 N/A HIS 167.A N SER 157.A OG no hydrogen 3.037 N/A THR 168.A N PHE 156.A O no hydrogen 2.917 N/A LYS 173.A NZ LEU 150.A O no hydrogen 2.742 N/A LYS 173.A NZ GLU 153.A O no hydrogen 2.842 N/A LYS 173.A NZ LEU 170.A O no hydrogen 2.701 N/A VAL 175.A N ASP 103.A OD2 no hydrogen 2.789 N/A GLN 176.A N ASP 103.A OD2 no hydrogen 3.042 N/A GLN 176.A NE2 ASP 103.A OD1 no hydrogen 2.699 N/A GLN 176.A NE2 PHE 110.A O no hydrogen 2.739 N/A GLY 179.A N GLN 176.A O no hydrogen 3.242 N/A LYS 181.A N GLN 176.A OE1 no hydrogen 2.987 N/A LYS 181.A NZ TYR 183.A OH no hydrogen 3.047 N/A LYS 181.A NZ SER 231.A OG no hydrogen 2.799 N/A LEU 182.A N ASP 200.A OD2 no hydrogen 2.924 N/A TYR 183.A N LEU 112.A O no hydrogen 2.801 N/A TYR 183.A OH GLU 82.A OE2 no hydrogen 2.892 N/A ALA 184.A N ALA 201.A O no hydrogen 3.022 N/A ARG 190.A NE ASP 138.A OD1 no hydrogen 3.396 N/A ARG 190.A NH1 ARG 190.A O no hydrogen 3.477 N/A ARG 190.A NH2 ASP 138.A OD1 no hydrogen 2.563 N/A ARG 190.A NH2 GLU 141.A OE2 no hydrogen 2.565 N/A GLY 191.A N SER 188.A OG no hydrogen 2.792 N/A LYS 192.A N SER 188.A O no hydrogen 2.892 N/A LYS 192.A NZ GLU 187.A O no hydrogen 3.393 N/A GLU 193.A N LYS 189.A O no hydrogen 3.100 N/A VAL 194.A N ARG 190.A O no hydrogen 3.241 N/A ILE 195.A N GLY 191.A O no hydrogen 3.308 N/A VAL 196.A N LYS 192.A O no hydrogen 2.890 N/A ASN 197.A N GLU 193.A O no hydrogen 2.942 N/A ASN 197.A ND2 GLU 193.A O no hydrogen 2.759 N/A HIS 198.A N VAL 194.A O no hydrogen 2.908 N/A ALA 199.A N ILE 195.A O no hydrogen 3.042 N/A ASP 200.A N LEU 182.A O no hydrogen 2.742 N/A TYR 202.A N SER 231.A O no hydrogen 3.083 N/A VAL 203.A N ALA 184.A O no hydrogen 2.904 N/A HIS 204.A ND1 GLY 205.A O no hydrogen 3.294 N/A GLY 205.A N ASN 278.A O no hydrogen 2.801 N/A THR 207.A N GLU 210.A OE1 no hydrogen 3.161 N/A GLU 209.A N GLU 209.A OE1.A no hydrogen 2.841 N/A GLU 210.A N THR 207.A OG1 no hydrogen 3.073 N/A VAL 211.A N THR 207.A O no hydrogen 2.841 N/A SER 212.A N VAL 208.A O no hydrogen 2.979 N/A VAL 213.A N GLU 209.A O no hydrogen 3.171 N/A LYS 214.A N GLU 210.A O no hydrogen 3.146 N/A LYS 214.A NZ GLU 187.A OE1 no hydrogen 2.836 N/A LYS 214.A NZ GLU 187.A OE2 no hydrogen 3.132 N/A ILE 215.A N VAL 211.A O no hydrogen 2.881 N/A GLU 216.A N SER 212.A O no hydrogen 2.994 N/A ASP 217.A N VAL 213.A O no hydrogen 2.902 N/A ASN 219.A N GLU 216.A O no hydrogen 3.039 N/A ARG 220.A N ASP 217.A O no hydrogen 2.978 N/A ARG 221.A NE GLU 227.A O no hydrogen 2.878 N/A ARG 221.A NH1 VAL 196.A O no hydrogen 2.710 N/A ARG 221.A NH1 ALA 199.A O no hydrogen 2.922 N/A ARG 221.A NH2 ALA 199.A O no hydrogen 3.180 N/A ARG 221.A NH2 GLU 227.A O no hydrogen 3.021 N/A LYS 222.A N LYS 218.A O no hydrogen 3.232 N/A LYS 222.A N ASN 219.A O no hydrogen 3.178 N/A LYS 223.A N ARG 220.A O no hydrogen 3.188 N/A VAL 224.A N ARG 221.A O no hydrogen 3.304 N/A GLN 230.A N ASP 200.A O no hydrogen 2.817 N/A PHE 232.A N THR 305.A OG1 no hydrogen 2.869 N/A GLY 233.A N TYR 202.A O no hydrogen 2.797 N/A LEU 234.A N LEU 306.A O no hydrogen 3.030 N/A ALA 236.A N LEU 308.A O no hydrogen 3.014 N/A TYR 237.A N GLY 280.A O no hydrogen 2.878 N/A VAL 238.A N GLN 310.A O no hydrogen 2.974 N/A ILE 239.A N LEU 285.A O no hydrogen 2.945 N/A ARG 241.A N GLY 287.A O no hydrogen 2.931 N/A ARG 241.A NH1 CYS 240.A O no hydrogen 2.884 N/A ARG 241.A NH1 GLU 317.A OE1 no hydrogen 2.852 N/A THR 243.A N GLU 246.A OE2 no hydrogen 3.221 N/A THR 243.A OG1 GLU 246.A OE2 no hydrogen 2.771 N/A GLU 246.A N THR 243.A OG1 no hydrogen 3.107 N/A ALA 247.A N THR 243.A O no hydrogen 3.225 N/A LEU 248.A N GLU 244.A O no hydrogen 2.917 N/A GLU 249.A N GLU 245.A O no hydrogen 3.078 N/A GLU 250.A N GLU 246.A O no hydrogen 3.055 N/A TRP 251.A N ALA 247.A O no hydrogen 2.970 N/A TRP 251.A NE1 ASN 272.A OD1 no hydrogen 3.159 N/A ARG 252.A N LEU 248.A O no hydrogen 2.932 N/A ARG 252.A NE VAL 260.A O no hydrogen 2.671 N/A ARG 252.A NH1 GLU 245.A OE1 no hydrogen 2.826 N/A ARG 252.A NH1 GLU 249.A OE1 no hydrogen 2.727 N/A ARG 252.A NH2 VAL 260.A O no hydrogen 2.837 N/A ARG 253.A N GLU 249.A O no hydrogen 3.032 N/A ARG 253.A NE GLU 250.A OE1 no hydrogen 2.699 N/A ARG 253.A NH2 GLU 250.A OE1 no hydrogen 3.359 N/A ARG 253.A NH2 GLU 250.A OE2 no hydrogen 2.701 N/A ILE 254.A N GLU 250.A O no hydrogen 3.013 N/A THR 255.A N TRP 251.A O no hydrogen 3.220 N/A THR 255.A N ARG 252.A O no hydrogen 3.242 N/A THR 255.A OG1 TRP 251.A O no hydrogen 2.749 N/A THR 255.A OG1 ARG 252.A O no hydrogen 3.190 N/A ASP 256.A N ARG 253.A O no hydrogen 3.250 N/A SER 261.A N GLN 264.A OE1 no hydrogen 3.045 N/A SER 261.A OG GLN 264.A OE1 no hydrogen 2.869 N/A LYS 262.A NZ GLU 244.A OE1 no hydrogen 2.842 N/A GLN 264.A N SER 261.A OG no hydrogen 3.260 N/A LEU 265.A N SER 261.A O no hydrogen 2.756 N/A GLU 266.A N LYS 262.A O no hydrogen 2.892 N/A GLN 267.A N SER 263.A O no hydrogen 2.988 N/A GLN 268.A NE2 THR 255.A OG1 no hydrogen 3.353 N/A GLN 268.A NE2 ASN 272.A OD1 no hydrogen 2.999 N/A VAL 269.A N GLN 267.A O no hydrogen 2.914 N/A ASN 272.A N GLN 268.A O no hydrogen 2.900 N/A ASN 272.A ND2 LEU 265.A O no hydrogen 2.938 N/A ASP 273.A N VAL 269.A O no hydrogen 2.903 N/A TYR 274.A N LYS 270.A O no hydrogen 3.023 N/A SER 275.A N LEU 271.A O no hydrogen 2.829 N/A SER 275.A OG LEU 271.A O no hydrogen 2.688 N/A VAL 276.A N ASN 272.A O no hydrogen 3.176 N/A SER 277.A OG ASN 278.A OD1 no hydrogen 2.928 N/A ARG 279.A NE ASP 273.A OD1 no hydrogen 3.253 N/A ARG 279.A NE ASP 273.A OD2 no hydrogen 3.117 N/A GLY 280.A N SER 277.A O no hydrogen 2.960 N/A ARG 282.A N ARG 279.A O no hydrogen 3.041 N/A ARG 282.A NE GLU 210.A OE1 no hydrogen 3.085 N/A ARG 282.A NH2 GLU 210.A OE2 no hydrogen 2.652 N/A ASN 284.A N LEU 281.A O no hydrogen 2.964 N/A GLY 287.A N ILE 239.A O no hydrogen 2.829 N/A THR 288.A N GLN 291.A OE1 no hydrogen 2.980 N/A GLN 291.A N THR 288.A OG1 no hydrogen 3.122 N/A GLN 291.A NE2 GLU 244.A OE1 no hydrogen 3.123 N/A ILE 292.A N THR 288.A O no hydrogen 2.947 N/A ALA 293.A N PRO 289.A O no hydrogen 2.782 N/A GLU 294.A N GLU 290.A O no hydrogen 3.002 N/A ARG 295.A N GLN 291.A O no hydrogen 3.000 N/A ARG 295.A NH2 ASN 284.A O no hydrogen 3.004 N/A ARG 295.A NH2 ILE 286.A O no hydrogen 2.825 N/A ILE 296.A N ILE 292.A O no hydrogen 2.831 N/A LEU 297.A N ALA 293.A O no hydrogen 3.068 N/A ALA 298.A N GLU 294.A O no hydrogen 3.010 N/A PHE 299.A N ARG 295.A O no hydrogen 3.106 N/A GLU 300.A N ILE 296.A O no hydrogen 2.925 N/A LYS 301.A N LEU 297.A O no hydrogen 3.035 N/A VAL 302.A N ALA 298.A O no hydrogen 3.300 N/A VAL 302.A N PHE 299.A O no hydrogen 3.187 N/A GLY 303.A N GLU 300.A O no hydrogen 3.074 N/A VAL 304.A N PHE 299.A O no hydrogen 3.094 N/A THR 305.A N PHE 232.A O no hydrogen 2.875 N/A THR 305.A OG1 PHE 232.A O no hydrogen 3.429 N/A LEU 306.A N PHE 232.A O no hydrogen 3.215 N/A LEU 307.A N GLU 6.A O no hydrogen 2.963 N/A LEU 308.A N LEU 234.A O no hydrogen 2.899 N/A LEU 309.A N GLY 8.A O no hydrogen 3.050 N/A GLN 310.A N ALA 236.A O no hydrogen 2.852 N/A SER 312.A OG GLU 24.A OE1 no hydrogen 2.556 N/A GLN 314.A NE2 TRP 10.A O no hydrogen 2.978 N/A LEU 315.A N TYR 31.A OH no hydrogen 3.122 N/A GLU 317.A N PRO 313.A O no hydrogen 3.061 N/A ARG 319.A N GLU 316.A O no hydrogen 3.134 N/A ARG 319.A NE GLU 317.A OE2 no hydrogen 3.042 N/A ARG 319.A NH2 GLU 317.A OE2 no hydrogen 3.060 N/A PHE 320.A N GLU 317.A O no hydrogen 3.043 N/A SER 321.A OG LEU 42.A O no hydrogen 2.902 N/A GLU 322.A N LYS 318.A O no hydrogen 3.035 N/A LYS 323.A N ARG 319.A O no hydrogen 2.889 N/A VAL 324.A N PHE 320.A O no hydrogen 2.990 N/A VAL 327.A N VAL 324.A O no hydrogen 2.998 N/A ALA 329.A N PRO 325.A O no hydrogen 2.960 N/A LYS 330.A N LEU 326.A O no hydrogen 2.907 N/A LYS 330.A NZ GLU 290.A OE1 no hydrogen 2.576 N/A ARG 331.A N VAL 327.A O no hydrogen 3.006 N/A ARG 331.A NE GLU 300.A OE2 no hydrogen 2.736 N/A ARG 331.A NH1 GLU 328.A OE2 no hydrogen 2.992 N/A ARG 331.A NH2 GLU 300.A OE1 no hydrogen 2.729 N/A ARG 331.A NH2 GLU 300.A OE2 no hydrogen 3.453 N/A LYS 332.A N GLU 328.A O no hydrogen 3.223 N/A LYS 332.A N ALA 329.A O no hydrogen 3.051 N/A GLU 333.A N ALA 329.A O no hydrogen 3.149 N/A GLU 333.A N LYS 330.A O no hydrogen 3.191 N/A