Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4p6y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 157.A OE1 no hydrogen 2.343 N/A ILE 5.A N MET 1.A O no hydrogen 2.974 N/A ARG 6.A N LYS 2.A O no hydrogen 2.773 N/A ARG 6.A NE GLU 3.A OE1 no hydrogen 3.256 N/A ARG 6.A NE GLU 3.A OE2 no hydrogen 3.512 N/A ARG 6.A NH2 GLU 3.A OE2 no hydrogen 3.169 N/A LYS 7.A N GLU 3.A O no hydrogen 2.974 N/A LYS 7.A NZ GLU 28.A OE2 no hydrogen 3.110 N/A LEU 8.A N LEU 4.A O no hydrogen 2.936 N/A THR 9.A N ILE 5.A O no hydrogen 2.995 N/A THR 9.A OG1 ILE 5.A O no hydrogen 2.993 N/A THR 9.A OG1 ARG 6.A O no hydrogen 3.276 N/A THR 9.A OG1 SER 164.A OG no hydrogen 2.927 N/A GLU 10.A N ARG 6.A O no hydrogen 3.201 N/A ALA 11.A N LYS 7.A O no hydrogen 3.221 N/A ALA 11.A N LEU 8.A O no hydrogen 3.332 N/A PHE 12.A N GLU 20.A OE2 no hydrogen 2.999 N/A GLY 13.A N GLU 63.A OE2 no hydrogen 2.879 N/A SER 15.A N GLU 63.A O no hydrogen 3.257 N/A SER 15.A OG ASP 62.A OD2 no hydrogen 2.550 N/A GLY 16.A N GLU 18.A OE2 no hydrogen 2.811 N/A ARG 17.A N PRO 14.A O no hydrogen 2.887 N/A ARG 17.A NH1 GLY 16.A O no hydrogen 3.210 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.718 N/A ARG 22.A N GLU 18.A O no hydrogen 3.098 N/A ARG 22.A NH1 GLY 42.A O no hydrogen 2.886 N/A SER 23.A N GLU 19.A O no hydrogen 2.991 N/A SER 23.A OG GLU 19.A O no hydrogen 3.340 N/A SER 23.A OG GLU 19.A OE2 no hydrogen 2.657 N/A ILE 24.A N GLU 20.A O no hydrogen 3.208 N/A ILE 25.A N VAL 21.A O no hydrogen 3.006 N/A LEU 26.A N ARG 22.A O no hydrogen 2.996 N/A GLU 27.A N SER 23.A O no hydrogen 3.099 N/A GLU 28.A N ILE 24.A O no hydrogen 3.132 N/A LEU 29.A N ILE 25.A O no hydrogen 3.046 N/A GLU 30.A N GLU 27.A O no hydrogen 3.300 N/A HIS 32.A N LEU 29.A O no hydrogen 2.761 N/A ASP 34.A N TRP 47.A O no hydrogen 2.843 N/A GLY 35.A N TRP 47.A O no hydrogen 3.481 N/A ARG 37.A N ILE 45.A O no hydrogen 2.818 N/A ASP 39.A N ASN 43.A O no hydrogen 3.112 N/A LEU 41.A N ASP 39.A OD1 no hydrogen 3.043 N/A GLY 42.A N ASP 39.A O no hydrogen 2.981 N/A ASN 43.A N ASP 39.A OD1 no hydrogen 2.828 N/A ASN 43.A ND2 ASP 39.A OD2 no hydrogen 2.817 N/A ASN 43.A ND2 GLY 203.A O no hydrogen 3.058 N/A LEU 44.A N PHE 193.A O no hydrogen 3.003 N/A ILE 45.A N ARG 37.A O no hydrogen 2.872 N/A VAL 46.A N GLY 191.A O no hydrogen 2.785 N/A TRP 47.A N GLY 35.A O no hydrogen 2.997 N/A LYS 48.A N LEU 189.A O no hydrogen 2.837 N/A LYS 48.A NZ PHE 180.A O no hydrogen 2.572 N/A LYS 48.A NZ ILE 183.A O no hydrogen 2.937 N/A GLY 49.A N ASP 34.A OD2 no hydrogen 2.909 N/A LYS 53.A NZ GLU 215.A OE1 no hydrogen 3.532 N/A LYS 53.A NZ GLU 215.A OE2 no hydrogen 2.875 N/A LYS 53.A NZ TYR 328.A OH no hydrogen 3.046 N/A LYS 54.A N ASP 214.A OD2 no hydrogen 2.695 N/A LYS 54.A NZ TYR 190.A OH no hydrogen 2.910 N/A VAL 55.A N THR 188.A O no hydrogen 3.094 N/A ILE 56.A N GLU 215.A O no hydrogen 2.803 N/A LEU 57.A N TYR 190.A O no hydrogen 2.812 N/A ASP 58.A N ILE 217.A O no hydrogen 2.897 N/A ALA 59.A N VAL 192.A O no hydrogen 3.122 N/A HIS 60.A ND1 ASP 62.A O no hydrogen 2.809 N/A HIS 60.A ND1 ASP 62.A OD1 no hydrogen 2.823 N/A ILE 61.A N SER 194.A O no hydrogen 2.831 N/A GLU 63.A N GLY 13.A O no hydrogen 2.871 N/A GLY 65.A N VAL 82.A O no hydrogen 2.911 N/A VAL 66.A N GLY 149.A O no hydrogen 2.910 N/A VAL 67.A N GLU 80.A O no hydrogen 2.790 N/A VAL 68.A N SER 147.A O no hydrogen 3.027 N/A THR 69.A N THR 78.A O no hydrogen 2.841 N/A THR 69.A OG1 THR 78.A OG1 no hydrogen 2.779 N/A VAL 71.A N ASN 70.A OD1 no hydrogen 2.775 N/A ASP 72.A N PHE 76.A O no hydrogen 3.074 N/A GLY 75.A N ASP 72.A O no hydrogen 3.061 N/A PHE 76.A N ASP 72.A OD1 no hydrogen 2.759 N/A LEU 77.A N ILE 129.A O no hydrogen 2.921 N/A THR 78.A N ASN 70.A O no hydrogen 2.953 N/A THR 78.A OG1 THR 69.A OG1 no hydrogen 2.779 N/A GLU 80.A N VAL 67.A O no hydrogen 2.747 N/A VAL 82.A N GLY 65.A O no hydrogen 2.763 N/A VAL 85.A N GLY 83.A O no hydrogen 3.005 N/A TYR 88.A N SER 86.A OG no hydrogen 3.183 N/A TYR 88.A OH VAL 119.A O no hydrogen 2.506 N/A MET 89.A N SER 86.A O no hydrogen 3.099 N/A LEU 90.A N PRO 87.A O no hydrogen 3.027 N/A GLY 92.A N VAL 105.A O no hydrogen 3.253 N/A LYS 93.A N LEU 90.A O no hydrogen 2.969 N/A LYS 93.A NZ ASP 152.A O no hydrogen 3.011 N/A ILE 95.A N GLY 103.A O no hydrogen 2.855 N/A ARG 96.A N VAL 150.A O no hydrogen 2.779 N/A ARG 96.A NH1 GLY 100.A O no hydrogen 2.786 N/A ARG 96.A NH2 ASP 152.A OD1 no hydrogen 3.340 N/A PHE 97.A N THR 101.A O no hydrogen 2.887 N/A GLU 98.A N PHE 148.A O no hydrogen 3.233 N/A ASN 99.A ND2 MET 142.A O no hydrogen 2.832 N/A GLY 100.A N PHE 97.A O no hydrogen 2.967 N/A THR 101.A N ASN 99.A OD1 no hydrogen 3.336 N/A THR 101.A OG1 ASN 99.A OD1 no hydrogen 2.910 N/A GLY 103.A N ILE 95.A O no hydrogen 2.986 N/A VAL 104.A N ASP 130.A O no hydrogen 2.770 N/A VAL 105.A N LYS 93.A O no hydrogen 3.046 N/A GLY 106.A N PHE 128.A O no hydrogen 2.798 N/A GLU 108.A N LYS 126.A O no hydrogen 2.708 N/A GLU 110.A N GLU 114.A OE2 no hydrogen 3.008 N/A GLU 114.A N THR 111.A OG1 no hydrogen 2.883 N/A ARG 115.A N THR 111.A O no hydrogen 2.957 N/A ARG 115.A NH1 MET 107.A O no hydrogen 2.797 N/A GLN 116.A N THR 112.A O no hydrogen 3.005 N/A GLU 117.A N GLU 113.A O no hydrogen 2.898 N/A ASN 118.A N GLU 114.A O no hydrogen 2.774 N/A ASN 118.A ND2 GLU 108.A O no hydrogen 2.780 N/A VAL 119.A N ARG 115.A O no hydrogen 3.037 N/A ARG 120.A N GLN 116.A O no hydrogen 3.240 N/A LYS 121.A N GLU 117.A O no hydrogen 3.088 N/A LYS 121.A N ASN 118.A O no hydrogen 3.058 N/A LEU 122.A N TYR 88.A OH no hydrogen 3.004 N/A SER 123.A OG ASP 125.A OD2 no hydrogen 3.567 N/A LYS 126.A N SER 123.A O no hydrogen 3.097 N/A LEU 127.A N PHE 124.A O no hydrogen 3.126 N/A PHE 128.A N GLY 106.A O no hydrogen 2.839 N/A ILE 129.A N LEU 77.A O no hydrogen 2.862 N/A ASP 130.A N VAL 104.A O no hydrogen 2.735 N/A GLY 132.A N ASP 130.A OD1 no hydrogen 2.818 N/A ASN 134.A N GLU 138.A OE1 no hydrogen 2.724 N/A ARG 136.A N ASP 73.A O no hydrogen 2.946 N/A ARG 136.A NE ASP 73.A OD1 no hydrogen 3.340 N/A ARG 136.A NH2 ASP 73.A OD1 no hydrogen 2.932 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.769 N/A GLU 138.A N SER 135.A OG no hydrogen 3.125 N/A ALA 139.A N SER 135.A O no hydrogen 2.943 N/A GLN 140.A N ARG 136.A O no hydrogen 2.926 N/A LYS 141.A N GLU 137.A O no hydrogen 3.173 N/A MET 142.A N GLU 138.A O no hydrogen 3.368 N/A CYS 143.A N ALA 139.A O no hydrogen 2.812 N/A CYS 143.A SG MET 142.A O no hydrogen 3.589 N/A GLY 146.A N VAL 68.A O no hydrogen 2.860 N/A SER 147.A N PRO 144.A O no hydrogen 3.040 N/A SER 147.A OG PRO 144.A O no hydrogen 2.486 N/A GLY 149.A N VAL 66.A O no hydrogen 2.774 N/A VAL 150.A N ARG 96.A O no hydrogen 2.872 N/A TYR 151.A OH HIS 307.A O no hydrogen 2.902 N/A ASP 152.A N ARG 94.A O no hydrogen 2.945 N/A SER 153.A OG PRO 309.A O no hydrogen 2.901 N/A PHE 155.A N GLU 10.A OE2 no hydrogen 2.846 N/A VAL 156.A N VAL 163.A O no hydrogen 2.705 N/A VAL 158.A N LYS 161.A O no hydrogen 2.776 N/A LYS 161.A N VAL 158.A O no hydrogen 2.942 N/A TYR 162.A N ILE 313.A O no hydrogen 3.095 N/A VAL 163.A N VAL 156.A O no hydrogen 2.740 N/A SER 164.A N GLU 311.A O no hydrogen 3.064 N/A SER 164.A OG THR 9.A OG1 no hydrogen 2.927 N/A SER 164.A OG LYS 165.A O no hydrogen 3.499 N/A LYS 165.A NZ THR 9.A O no hydrogen 2.618 N/A LYS 165.A NZ ALA 11.A O no hydrogen 2.780 N/A LYS 165.A NZ GLU 63.A OE1 no hydrogen 2.852 N/A LYS 165.A NZ GLU 63.A OE2 no hydrogen 3.073 N/A ASP 168.A N GLU 311.A OE1 no hydrogen 2.747 N/A ARG 170.A N ALA 166.A O no hydrogen 3.008 N/A ARG 170.A NE ILE 61.A O no hydrogen 2.936 N/A ARG 170.A NH1 LEU 8.A O no hydrogen 3.004 N/A ARG 170.A NH1 ALA 11.A O no hydrogen 2.911 N/A ARG 170.A NH1 GLU 63.A OE2 no hydrogen 3.338 N/A ARG 170.A NH2 ILE 61.A O no hydrogen 2.722 N/A ARG 170.A NH2 GLU 63.A OE2 no hydrogen 3.089 N/A ILE 171.A N MET 167.A O no hydrogen 2.970 N/A CYS 173.A N ASP 169.A O no hydrogen 2.999 N/A CYS 173.A SG HIS 60.A O no hydrogen 3.367 N/A CYS 173.A SG ASP 169.A O no hydrogen 3.252 N/A ALA 174.A N ARG 170.A O no hydrogen 2.793 N/A VAL 175.A N ILE 171.A O no hydrogen 3.093 N/A ILE 176.A N GLY 172.A O no hydrogen 3.144 N/A VAL 177.A N CYS 173.A O no hydrogen 2.966 N/A GLU 178.A N ALA 174.A O no hydrogen 3.045 N/A VAL 179.A N VAL 175.A O no hydrogen 2.928 N/A PHE 180.A N ILE 176.A O no hydrogen 3.052 N/A LYS 181.A N VAL 177.A O no hydrogen 2.874 N/A ARG 182.A N GLU 178.A O no hydrogen 3.091 N/A ARG 182.A NH1 GLU 178.A OE2 no hydrogen 3.530 N/A ARG 182.A NH1 GLU 319.A OE1 no hydrogen 3.277 N/A ARG 182.A NH1 GLU 319.A OE2 no hydrogen 3.412 N/A ARG 182.A NH2 GLU 319.A OE2 no hydrogen 3.082 N/A ILE 183.A N VAL 179.A O no hydrogen 2.791 N/A LYS 184.A N ALA 331.A O no hydrogen 2.953 N/A ALA 186.A N LEU 329.A O no hydrogen 2.866 N/A THR 188.A N LYS 53.A O no hydrogen 2.834 N/A THR 188.A OG1 GLY 51.A O no hydrogen 2.390 N/A LEU 189.A N LYS 48.A O no hydrogen 2.849 N/A TYR 190.A N VAL 55.A O no hydrogen 2.785 N/A GLY 191.A N VAL 46.A O no hydrogen 2.683 N/A VAL 192.A N LEU 57.A O no hydrogen 2.853 N/A PHE 193.A N LEU 44.A O no hydrogen 2.786 N/A SER 194.A N ALA 59.A O no hydrogen 3.026 N/A SER 194.A OG ASP 58.A OD1 no hydrogen 3.429 N/A SER 194.A OG ASP 58.A OD2 no hydrogen 2.772 N/A SER 194.A OG ALA 59.A O no hydrogen 3.486 N/A VAL 195.A N ASN 43.A OD1 no hydrogen 2.934 N/A GLN 196.A N GLU 18.A OE2 no hydrogen 3.101 N/A GLU 197.A N ASP 62.A OD1 no hydrogen 3.209 N/A GLU 198.A N ASP 62.A OD2 no hydrogen 2.982 N/A LEU 201.A N GLU 197.A O no hydrogen 2.968 N/A VAL 202.A N GLN 196.A O no hydrogen 2.929 N/A GLY 203.A N VAL 195.A O no hydrogen 2.813 N/A SER 205.A N VAL 202.A O no hydrogen 3.125 N/A SER 205.A OG LEU 201.A O no hydrogen 2.812 N/A VAL 206.A N GLY 203.A O no hydrogen 3.132 N/A ALA 207.A N GLY 203.A O no hydrogen 2.985 N/A TYR 209.A N VAL 206.A O no hydrogen 2.889 N/A VAL 211.A N GLY 208.A O no hydrogen 3.059 N/A ALA 213.A N VAL 211.A O no hydrogen 2.897 N/A ASP 214.A N LYS 54.A O no hydrogen 2.859 N/A GLU 215.A N LYS 54.A O no hydrogen 3.226 N/A ALA 216.A N PRO 295.A O no hydrogen 3.109 N/A ILE 217.A N ILE 56.A O no hydrogen 2.737 N/A ALA 218.A N ALA 297.A O no hydrogen 2.796 N/A ILE 219.A N ASP 58.A O no hydrogen 2.631 N/A ASP 220.A N VAL 299.A O no hydrogen 3.286 N/A VAL 221.A N ASP 220.A OD1 no hydrogen 2.746 N/A THR 222.A N ILE 301.A O no hydrogen 2.999 N/A THR 222.A OG1 GLU 275.A OE2 no hydrogen 2.713 N/A SER 224.A N THR 303.A O no hydrogen 3.037 N/A SER 224.A OG ASP 226.A OD1 no hydrogen 2.733 N/A ALA 225.A N MET 236.A O no hydrogen 2.740 N/A HIS 234.A N ILE 231.A O no hydrogen 3.069 N/A HIS 234.A ND1 ASP 223.A OD2 no hydrogen 2.596 N/A HIS 234.A NE2 THR 278.A OG1 no hydrogen 2.798 N/A ARG 237.A N GLN 273.A OE1 no hydrogen 3.005 N/A LEU 238.A N ASP 226.A OD2 no hydrogen 2.788 N/A SER 239.A N ASP 317.A OD2 no hydrogen 2.727 N/A GLY 240.A N ARG 237.A O no hydrogen 3.230 N/A GLY 241.A N ASP 317.A OD1 no hydrogen 2.597 N/A ALA 243.A N SER 300.A O no hydrogen 2.961 N/A LEU 244.A N GLN 273.A O no hydrogen 2.841 N/A LYS 245.A N THR 298.A O no hydrogen 2.921 N/A LYS 245.A NZ ASP 248.A OD2 no hydrogen 3.357 N/A LYS 245.A NZ GLU 275.A OE2 no hydrogen 2.713 N/A VAL 246.A N GLU 275.A O no hydrogen 2.607 N/A LYS 247.A NZ ASP 248.A O no hydrogen 3.109 N/A ASP 248.A N SER 251.A O no hydrogen 2.964 N/A ARG 249.A N GLY 280.A O no hydrogen 3.201 N/A ARG 249.A NE THR 278.A O no hydrogen 3.069 N/A SER 251.A N ASP 248.A OD1 no hydrogen 2.767 N/A SER 253.A N VAL 246.A O no hydrogen 3.269 N/A SER 253.A OG LYS 245.A O no hydrogen 2.637 N/A SER 254.A N SER 296.A O no hydrogen 2.852 N/A ILE 257.A N SER 254.A OG no hydrogen 3.199 N/A LEU 258.A N SER 254.A O no hydrogen 3.131 N/A GLU 259.A N LYS 255.A O no hydrogen 2.861 N/A ASN 260.A N ARG 256.A O no hydrogen 3.062 N/A ASN 260.A ND2 TYR 328.A OH no hydrogen 3.305 N/A LEU 261.A N ILE 257.A O no hydrogen 2.921 N/A ILE 262.A N LEU 258.A O no hydrogen 2.776 N/A GLU 263.A N GLU 259.A O no hydrogen 2.892 N/A ILE 264.A N ASN 260.A O no hydrogen 2.878 N/A ALA 265.A N LEU 261.A O no hydrogen 2.800 N/A GLU 266.A N ILE 262.A O no hydrogen 2.900 N/A LYS 267.A N GLU 263.A O no hydrogen 2.924 N/A LYS 267.A NZ GLU 263.A OE1 no hydrogen 3.175 N/A PHE 268.A N ILE 264.A O no hydrogen 3.085 N/A ASP 269.A N GLU 266.A O no hydrogen 3.103 N/A ILE 270.A N ALA 265.A O no hydrogen 2.705 N/A LYS 271.A NZ SER 239.A O no hydrogen 3.180 N/A GLN 273.A N PRO 242.A O no hydrogen 2.926 N/A GLN 273.A NE2 ARG 237.A O no hydrogen 2.905 N/A GLN 273.A NE2 GLY 241.A O no hydrogen 2.936 N/A GLU 275.A N LEU 244.A O no hydrogen 2.891 N/A LEU 277.A N LYS 247.A O no hydrogen 2.909 N/A THR 278.A N HIS 234.A NE2 no hydrogen 3.253 N/A THR 278.A OG1 HIS 234.A NE2 no hydrogen 2.798 N/A THR 282.A OG1 THR 298.A OG1 no hydrogen 2.880 N/A ASN 283.A ND2 ASP 58.A OD1 no hydrogen 2.929 N/A ALA 284.A N THR 282.A OG1 no hydrogen 3.246 N/A MET 285.A N THR 282.A O no hydrogen 3.201 N/A GLY 286.A N ASN 283.A O no hydrogen 3.040 N/A TYR 287.A N ASN 283.A O no hydrogen 3.471 N/A TYR 287.A OH ASP 58.A OD2 no hydrogen 2.535 N/A GLN 288.A N ALA 284.A O no hydrogen 2.970 N/A GLN 288.A NE2 ILE 252.A O no hydrogen 3.090 N/A ARG 289.A N MET 285.A O no hydrogen 3.160 N/A ARG 289.A N GLY 286.A O no hydrogen 3.217 N/A THR 290.A N TYR 287.A O no hydrogen 3.246 N/A THR 290.A OG1 TYR 287.A O no hydrogen 3.330 N/A ARG 291.A NH1 GLY 208.A O no hydrogen 2.265 N/A ARG 291.A NH1 TYR 209.A O no hydrogen 2.696 N/A ARG 291.A NH1 VAL 211.A O no hydrogen 3.213 N/A ARG 291.A NH2 VAL 211.A O no hydrogen 3.066 N/A GLU 292.A N GLU 292.A OE1 no hydrogen 2.821 N/A GLY 293.A N THR 290.A O no hydrogen 2.745 N/A ILE 294.A N TYR 287.A O no hydrogen 3.271 N/A SER 296.A OG ILE 294.A O no hydrogen 2.700 N/A ALA 297.A N ALA 216.A O no hydrogen 3.045 N/A THR 298.A N SER 253.A OG no hydrogen 3.216 N/A THR 298.A OG1 THR 282.A OG1 no hydrogen 2.880 N/A VAL 299.A N ALA 218.A O no hydrogen 2.907 N/A SER 300.A N ALA 243.A O no hydrogen 2.857 N/A SER 300.A OG GLU 275.A OE1 no hydrogen 3.125 N/A ILE 301.A N ASP 220.A O no hydrogen 2.867 N/A THR 303.A N THR 222.A O no hydrogen 2.820 N/A THR 303.A OG1 ILE 301.A O no hydrogen 2.972 N/A ARG 304.A N MET 312.A O no hydrogen 2.755 N/A ARG 304.A NE ASP 226.A OD1 no hydrogen 2.826 N/A ARG 304.A NH2 ASP 226.A OD2 no hydrogen 3.008 N/A HIS 307.A N GLU 311.A OE2 no hydrogen 2.807 N/A SER 308.A N TYR 305.A O no hydrogen 3.024 N/A SER 308.A OG TYR 305.A O no hydrogen 2.665 N/A SER 310.A N SER 308.A OG no hydrogen 2.925 N/A GLU 311.A N SER 164.A O no hydrogen 2.836 N/A MET 312.A N ARG 304.A O no hydrogen 2.907 N/A ILE 313.A N TYR 162.A O no hydrogen 3.082 N/A ASP 317.A N ALA 314.A O no hydrogen 2.887 N/A GLU 319.A N PRO 315.A O no hydrogen 3.193 N/A ALA 320.A N ASP 316.A O no hydrogen 3.047 N/A THR 321.A N ASP 317.A O no hydrogen 2.974 N/A THR 321.A OG1 ASP 317.A O no hydrogen 2.910 N/A VAL 322.A N VAL 318.A O no hydrogen 2.887 N/A ASP 323.A N GLU 319.A O no hydrogen 2.865 N/A LEU 324.A N ALA 320.A O no hydrogen 2.816 N/A LEU 325.A N THR 321.A O no hydrogen 3.151 N/A ILE 326.A N VAL 322.A O no hydrogen 2.980 N/A ARG 327.A N ASP 323.A O no hydrogen 2.886 N/A TYR 328.A N LEU 324.A O no hydrogen 2.970 N/A TYR 328.A OH GLU 215.A OE1 no hydrogen 2.595 N/A LEU 329.A N LEU 325.A O no hydrogen 2.907 N/A LEU 329.A N ILE 326.A O no hydrogen 3.249 N/A GLY 330.A N ILE 326.A O no hydrogen 2.787 N/A ALA 331.A N LYS 184.A O no hydrogen 3.284 N/A