Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6wyc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ASP 89.A OD2 no hydrogen 2.795 N/A ARG 2.A NE LEU 86.A O no hydrogen 2.956 N/A ARG 2.A NE ASP 87.A O no hydrogen 3.194 N/A ARG 2.A NH2 LEU 86.A O no hydrogen 2.747 N/A ILE 3.A N GLU 27.A O no hydrogen 2.814 N/A VAL 4.A N VAL 90.A O no hydrogen 3.082 N/A ILE 5.A N ALA 30.A O no hydrogen 3.036 N/A ASN 6.A N VAL 92.A O no hydrogen 2.816 N/A ASN 6.A ND2 GLU 93.A OE2 no hydrogen 2.828 N/A GLY 7.A N ASN 32.A O no hydrogen 2.847 N/A PHE 8.A N ASP 33.A OD2 no hydrogen 2.752 N/A ARG 10.A NE GLU 313.A OE2 no hydrogen 2.833 N/A ARG 10.A NH1 ASP 47.A OD2 no hydrogen 2.808 N/A ARG 10.A NH2 ASP 47.A OD1 no hydrogen 2.971 N/A ARG 10.A NH2 ASP 47.A OD2 no hydrogen 3.217 N/A ARG 10.A NH2 GLU 313.A OE1 no hydrogen 2.925 N/A ARG 10.A NH2 GLU 313.A OE2 no hydrogen 3.463 N/A ARG 13.A N GLY 9.A O no hydrogen 2.861 N/A ARG 13.A NH1 PHE 8.A O no hydrogen 2.882 N/A LEU 14.A N ARG 10.A O no hydrogen 3.158 N/A VAL 15.A N ILE 11.A O no hydrogen 2.822 N/A LEU 16.A N GLY 12.A O no hydrogen 3.235 N/A ARG 17.A N ARG 13.A O no hydrogen 2.915 N/A ARG 17.A NH1 HIS 50.A O no hydrogen 3.044 N/A ARG 17.A NH1 GLY 51.A O no hydrogen 3.440 N/A ARG 17.A NH2 GLY 51.A O no hydrogen 2.932 N/A GLN 18.A N LEU 14.A O no hydrogen 2.857 N/A GLN 18.A NE2 GLU 286.A OE2 no hydrogen 3.013 N/A GLN 18.A NE2 THR 318.A OG1 no hydrogen 2.922 N/A ILE 19.A N VAL 15.A O no hydrogen 2.929 N/A LEU 20.A N LEU 16.A O no hydrogen 3.020 N/A LYS 21.A N ARG 17.A O no hydrogen 2.901 N/A LYS 21.A NZ GLU 286.A OE2 no hydrogen 2.877 N/A ARG 22.A N GLN 18.A O no hydrogen 3.390 N/A ARG 22.A NH1 ASP 322.A OD1 no hydrogen 2.825 N/A ARG 22.A NH1 GLU 325.A OE1 no hydrogen 2.856 N/A ARG 22.A NH2 ASP 322.A OD1 no hydrogen 2.863 N/A ASN 23.A N LEU 20.A O no hydrogen 3.133 N/A SER 24.A N ILE 19.A O no hydrogen 3.030 N/A SER 24.A OG GLU 325.A OE2 no hydrogen 2.820 N/A ILE 26.A N SER 24.A OG no hydrogen 3.016 N/A GLU 27.A N MET 1.A O no hydrogen 2.830 N/A VAL 29.A N ILE 3.A O no hydrogen 2.864 N/A ILE 31.A N HIS 71.A O no hydrogen 2.855 N/A ASN 32.A N ILE 5.A O no hydrogen 2.890 N/A ASN 32.A ND2 ASN 6.A OD1 no hydrogen 2.811 N/A ASN 32.A ND2 GLU 75.A O no hydrogen 2.800 N/A ASP 33.A N LEU 73.A O no hydrogen 3.168 N/A LEU 34.A N ASP 33.A OD1 no hydrogen 2.672 N/A LEU 39.A N ASP 38.A OD1 no hydrogen 2.881 N/A LEU 40.A N ALA 36.A O no hydrogen 3.187 N/A THR 41.A N GLY 37.A O no hydrogen 2.867 N/A THR 41.A OG1 GLY 37.A O no hydrogen 2.702 N/A TYR 42.A N ASP 38.A O no hydrogen 3.098 N/A LEU 43.A N LEU 39.A O no hydrogen 2.991 N/A PHE 44.A N LEU 40.A O no hydrogen 2.978 N/A LYS 45.A N THR 41.A O no hydrogen 3.000 N/A LYS 45.A N TYR 42.A O no hydrogen 3.201 N/A LYS 45.A NZ PRO 55.A O no hydrogen 3.430 N/A LYS 45.A NZ ALA 57.A O no hydrogen 2.762 N/A TYR 46.A N TYR 42.A O no hydrogen 2.986 N/A THR 49.A N ASP 47.A OD1 no hydrogen 2.995 N/A HIS 50.A N ASP 47.A OD1 no hydrogen 2.896 N/A HIS 50.A NE2 GLU 313.A OE1 no hydrogen 2.762 N/A GLY 51.A N ASP 47.A O no hydrogen 2.942 N/A PHE 53.A N LYS 45.A O no hydrogen 2.878 N/A GLN 56.A N GLN 56.A OE1 no hydrogen 2.553 N/A ALA 57.A N ALA 54.A O no hydrogen 2.965 N/A THR 58.A N VAL 64.A O no hydrogen 3.035 N/A THR 58.A OG1 SER 60.A OG no hydrogen 3.285 N/A SER 60.A OG THR 58.A OG1 no hydrogen 3.285 N/A LEU 63.A N VAL 70.A O no hydrogen 2.785 N/A VAL 64.A N THR 58.A O no hydrogen 2.818 N/A MET 65.A N ARG 68.A O no hydrogen 2.880 N/A ARG 68.A N MET 65.A O no hydrogen 2.978 N/A ARG 68.A NH1 ILE 26.A O no hydrogen 2.832 N/A ARG 68.A NH2 SER 24.A O no hydrogen 2.711 N/A VAL 70.A N LEU 63.A O no hydrogen 2.847 N/A HIS 71.A N VAL 29.A O no hydrogen 3.083 N/A PHE 72.A N GLY 62.A O no hydrogen 3.011 N/A LEU 73.A N ILE 31.A O no hydrogen 2.830 N/A GLU 75.A N ASN 32.A OD1 no hydrogen 2.852 N/A ASP 77.A N GLU 75.A OE1 no hydrogen 2.982 N/A GLN 79.A N ASP 77.A OD1 no hydrogen 2.973 N/A LYS 80.A N ASP 77.A O no hydrogen 2.974 N/A LEU 81.A N VAL 78.A O no hydrogen 3.210 N/A TRP 83.A N LEU 81.A O no hydrogen 3.042 N/A TRP 83.A NE1 HIS 107.A ND1 no hydrogen 2.993 N/A LYS 84.A N SER 110.A O no hydrogen 3.118 N/A LEU 86.A N PRO 82.A O no hydrogen 3.146 N/A ASP 87.A N LYS 84.A O no hydrogen 3.077 N/A VAL 88.A N TRP 83.A O no hydrogen 3.200 N/A ASP 89.A N ARG 2.A O no hydrogen 2.789 N/A VAL 90.A N ARG 2.A O no hydrogen 3.200 N/A VAL 91.A N ARG 114.A O no hydrogen 2.936 N/A VAL 92.A N VAL 4.A O no hydrogen 2.832 N/A GLU 93.A N LEU 116.A O no hydrogen 2.858 N/A SER 94.A N ASN 6.A O no hydrogen 2.841 N/A SER 94.A OG ASN 6.A O no hydrogen 3.209 N/A SER 94.A OG GLY 7.A O no hydrogen 2.733 N/A THR 95.A N GLU 93.A OE1 no hydrogen 3.050 N/A THR 95.A OG1 GLU 93.A OE1 no hydrogen 2.660 N/A LEU 97.A N THR 95.A OG1 no hydrogen 3.029 N/A ASN 100.A ND2 ASP 103.A OD2 no hydrogen 3.519 N/A ARG 101.A N LYS 122.A O no hydrogen 3.337 N/A VAL 104.A N ASN 100.A O no hydrogen 3.086 N/A ALA 105.A N ARG 101.A O no hydrogen 2.783 N/A LYS 106.A N ASP 103.A O no hydrogen 3.357 N/A HIS 107.A N VAL 104.A O no hydrogen 3.077 N/A HIS 107.A NE2 GLU 93.A OE2 no hydrogen 2.824 N/A LEU 108.A N ALA 105.A O no hydrogen 2.847 N/A ASP 109.A N ALA 105.A O no hydrogen 3.068 N/A SER 110.A N LYS 106.A O no hydrogen 2.970 N/A SER 110.A OG VAL 78.A O no hydrogen 2.752 N/A SER 110.A OG LYS 106.A O no hydrogen 3.158 N/A GLY 111.A N LEU 108.A O no hydrogen 2.891 N/A ALA 112.A N HIS 107.A O no hydrogen 3.097 N/A LYS 113.A N VAL 88.A O no hydrogen 3.120 N/A LYS 113.A NZ ASP 87.A OD1 no hydrogen 2.888 N/A LYS 113.A NZ VAL 88.A O no hydrogen 3.340 N/A LYS 113.A NZ ASP 89.A OD1 no hydrogen 2.882 N/A ARG 114.A NH2 PRO 139.A O no hydrogen 2.727 N/A VAL 115.A N VAL 142.A O no hydrogen 2.826 N/A LEU 116.A N VAL 91.A O no hydrogen 2.844 N/A ILE 117.A N ILE 144.A O no hydrogen 2.842 N/A THR 118.A N GLU 93.A O no hydrogen 3.052 N/A THR 118.A OG1 GLU 93.A O no hydrogen 3.307 N/A LYS 122.A N VAL 99.A O no hydrogen 2.991 N/A THR 127.A OG1 VAL 125.A O no hydrogen 3.164 N/A PHE 128.A N SER 145.A O no hydrogen 2.860 N/A VAL 129.A N ASN 133.A OD1 no hydrogen 2.821 N/A GLY 131.A N HIS 134.A ND1 no hydrogen 3.083 N/A VAL 132.A N VAL 129.A O no hydrogen 2.964 N/A ASN 133.A N VAL 129.A O no hydrogen 3.123 N/A ASN 133.A ND2 THR 127.A O no hydrogen 2.990 N/A GLN 136.A N ASN 133.A O no hydrogen 2.950 N/A PHE 137.A N HIS 134.A O no hydrogen 2.977 N/A ASP 138.A N ASP 141.A OD2 no hydrogen 3.009 N/A ALA 140.A N ASP 138.A OD1 no hydrogen 2.907 N/A ASP 141.A N ASP 138.A O no hydrogen 2.774 N/A ILE 144.A N VAL 115.A O no hydrogen 2.919 N/A SER 145.A N PRO 126.A O no hydrogen 2.963 N/A SER 145.A OG ALA 119.A O no hydrogen 2.623 N/A ASN 146.A N ILE 117.A O no hydrogen 3.225 N/A ALA 147.A N SER 145.A OG no hydrogen 2.919 N/A SER 148.A OG THR 151.A OG1 no hydrogen 2.994 N/A CYS 149.A SG HIS 176.A NE2 no hydrogen 3.307 N/A THR 150.A OG1 TYR 310.A OH no hydrogen 2.748 N/A THR 151.A N SER 148.A OG no hydrogen 3.036 N/A THR 151.A OG1 SER 148.A OG no hydrogen 2.994 N/A THR 151.A OG1 ALA 210.A O no hydrogen 3.362 N/A ASN 152.A N SER 148.A O no hydrogen 3.097 N/A ASN 152.A ND2 ASN 146.A O no hydrogen 2.863 N/A ASN 152.A ND2 SER 148.A O no hydrogen 2.927 N/A CYS 153.A N CYS 149.A O no hydrogen 3.071 N/A CYS 153.A N THR 150.A O no hydrogen 3.076 N/A CYS 153.A SG SER 289.A OG no hydrogen 3.694 N/A CYS 153.A SG ALA 308.A O no hydrogen 3.498 N/A LEU 154.A N THR 150.A O no hydrogen 2.893 N/A ALA 155.A N THR 151.A O no hydrogen 2.853 N/A ALA 158.A N LEU 154.A O no hydrogen 2.849 N/A LYS 159.A N ALA 155.A O no hydrogen 2.877 N/A LYS 159.A NZ ASP 163.A OD2 no hydrogen 2.859 N/A VAL 160.A N PRO 156.A O no hydrogen 3.154 N/A LEU 161.A N LEU 157.A O no hydrogen 3.025 N/A LEU 162.A N ALA 158.A O no hydrogen 2.769 N/A ASP 163.A N LYS 159.A O no hydrogen 2.911 N/A ASN 164.A N VAL 160.A O no hydrogen 3.094 N/A ASN 164.A ND2 VAL 160.A O no hydrogen 2.880 N/A PHE 165.A N LEU 161.A O no hydrogen 2.868 N/A GLY 166.A N LEU 161.A O no hydrogen 3.038 N/A GLY 166.A N LEU 162.A O no hydrogen 3.170 N/A GLU 168.A N LYS 245.A O no hydrogen 2.825 N/A GLU 169.A N LYS 245.A O no hydrogen 3.384 N/A GLY 170.A N LYS 224.A O no hydrogen 2.882 N/A LEU 171.A N THR 243.A O no hydrogen 2.849 N/A MET 172.A N THR 226.A O no hydrogen 2.921 N/A THR 173.A N ASP 241.A O no hydrogen 2.886 N/A THR 174.A N MET 228.A O no hydrogen 3.038 N/A THR 174.A OG1 VAL 239.A O no hydrogen 3.002 N/A THR 174.A OG1 TYR 310.A OH no hydrogen 2.625 N/A VAL 175.A N VAL 239.A O no hydrogen 2.880 N/A HIS 176.A N PHE 230.A O no hydrogen 2.806 N/A HIS 176.A ND1 ALA 177.A O no hydrogen 2.660 N/A ALA 177.A N SER 238.A OG no hydrogen 2.996 N/A ALA 178.A N VAL 234.A O no hydrogen 2.939 N/A THR 179.A N GLN 182.A OE1 no hydrogen 3.318 N/A THR 179.A OG1 THR 181.A OG1 no hydrogen 3.386 N/A THR 181.A OG1 THR 179.A OG1 no hydrogen 3.386 N/A GLN 182.A N THR 179.A O no hydrogen 2.930 N/A GLY 187.A N GLY 196.A O no hydrogen 2.871 N/A SER 189.A OG ASP 192.A O no hydrogen 3.413 N/A ASP 192.A N SER 189.A O no hydrogen 3.078 N/A GLY 195.A N ASP 192.A O no hydrogen 2.827 N/A GLY 196.A N TRP 193.A O no hydrogen 3.288 N/A ARG 197.A N ARG 194.A O no hydrogen 3.044 N/A ARG 197.A NE ASP 186.A OD2 no hydrogen 3.066 N/A GLY 198.A N ASP 186.A OD1 no hydrogen 2.783 N/A ALA 199.A N SER 183.A O no hydrogen 2.822 N/A GLN 201.A N GLY 198.A O no hydrogen 3.268 N/A ASN 202.A ND2 GLY 198.A O no hydrogen 2.929 N/A ILE 204.A N ARG 231.A O no hydrogen 2.836 N/A ALA 206.A N ALA 229.A O no hydrogen 2.871 N/A ALA 210.A N THR 208.A OG1 no hydrogen 3.103 N/A ALA 213.A N GLY 209.A O no hydrogen 2.835 N/A VAL 214.A N ALA 210.A O no hydrogen 3.169 N/A VAL 214.A N ALA 211.A O no hydrogen 3.268 N/A GLY 215.A N LYS 212.A O no hydrogen 2.900 N/A LEU 216.A N ALA 213.A O no hydrogen 2.942 N/A CYS 217.A N ALA 213.A O no hydrogen 3.346 N/A CYS 217.A SG.A ALA 213.A O no hydrogen 3.867 N/A CYS 217.A SG.B ALA 213.A O no hydrogen 3.820 N/A CYS 217.A SG.B VAL 214.A O no hydrogen 3.086 N/A LEU 218.A N VAL 214.A O no hydrogen 2.761 N/A LEU 221.A N LEU 218.A O no hydrogen 2.786 N/A LYS 222.A N PRO 219.A O no hydrogen 3.064 N/A LYS 224.A N LEU 221.A O no hydrogen 3.060 N/A LYS 224.A NZ ILE 167.A O no hydrogen 2.839 N/A THR 226.A N GLY 170.A O no hydrogen 3.333 N/A GLY 227.A N THR 226.A OG1 no hydrogen 2.811 N/A MET 228.A N MET 172.A O no hydrogen 2.980 N/A ALA 229.A N ALA 206.A O no hydrogen 2.882 N/A PHE 230.A N THR 174.A O no hydrogen 2.881 N/A ARG 231.A N ILE 204.A O no hydrogen 2.772 N/A ARG 231.A NH1 THR 179.A OG1 no hydrogen 2.788 N/A ARG 231.A NH1 GLN 182.A OE1 no hydrogen 2.890 N/A VAL 232.A N HIS 176.A O no hydrogen 2.979 N/A VAL 234.A N VAL 232.A O no hydrogen 2.830 N/A VAL 237.A N ASN 312.A OD1 no hydrogen 2.930 N/A SER 238.A N TYR 310.A O no hydrogen 2.888 N/A SER 238.A OG ASN 312.A OD1 no hydrogen 2.873 N/A VAL 239.A N VAL 175.A O no hydrogen 2.909 N/A VAL 240.A N ALA 308.A O no hydrogen 2.712 N/A ASP 241.A N THR 173.A O no hydrogen 2.769 N/A LEU 242.A N LEU 306.A O no hydrogen 2.822 N/A THR 243.A N LEU 171.A O no hydrogen 2.872 N/A VAL 244.A N PHE 304.A O no hydrogen 2.874 N/A LYS 245.A N GLU 169.A O no hydrogen 2.857 N/A LEU 246.A N ARG 302.A O no hydrogen 2.804 N/A SER 247.A N GLY 166.A O no hydrogen 2.928 N/A SER 248.A OG.A PHE 165.A O no hydrogen 2.775 N/A SER 248.A OG.B PHE 165.A O no hydrogen 3.235 N/A THR 250.A N ASP 301.A O no hydrogen 2.817 N/A THR 251.A N THR 250.A OG1 no hydrogen 2.824 N/A TYR 252.A OH ALA 293.A O no hydrogen 2.574 N/A ALA 254.A N THR 251.A OG1 no hydrogen 2.972 N/A ILE 255.A N THR 251.A O no hydrogen 3.124 N/A CYS 256.A N TYR 252.A O no hydrogen 2.942 N/A CYS 256.A SG TYR 252.A O no hydrogen 3.421 N/A GLU 257.A N GLU 253.A O no hydrogen 2.900 N/A ALA 258.A N ALA 254.A O no hydrogen 2.983 N/A VAL 259.A N ILE 255.A O no hydrogen 2.973 N/A LYS 260.A N CYS 256.A O no hydrogen 2.837 N/A HIS 261.A N GLU 257.A O no hydrogen 2.863 N/A ALA 262.A N ALA 258.A O no hydrogen 2.980 N/A ALA 263.A N VAL 259.A O no hydrogen 2.871 N/A ASN 264.A N LYS 260.A O no hydrogen 3.161 N/A ASN 264.A N HIS 261.A O no hydrogen 3.069 N/A THR 265.A N ALA 262.A O no hydrogen 3.076 N/A THR 265.A OG1 HIS 261.A O no hydrogen 2.771 N/A MET 267.A N ALA 262.A O no hydrogen 2.721 N/A LYS 268.A N THR 265.A O no hydrogen 3.200 N/A ILE 270.A N MET 267.A O no hydrogen 2.871 N/A MET 271.A N MET 267.A O no hydrogen 2.895 N/A TYR 272.A N SER 289.A O no hydrogen 2.951 N/A TYR 273.A OH GLU 275.A OE2 no hydrogen 2.606 N/A THR 274.A N PHE 291.A O no hydrogen 3.033 N/A GLU 276.A N THR 274.A OG1 no hydrogen 3.081 N/A ALA 277.A N GLU 276.A OE2.A no hydrogen 3.051 N/A VAL 279.A N ASP 282.A OD2 no hydrogen 3.005 N/A ASP 282.A N VAL 279.A O no hydrogen 2.970 N/A PHE 283.A N SER 280.A O no hydrogen 2.955 N/A ILE 284.A N SER 281.A O no hydrogen 3.267 N/A GLY 285.A N ASP 311.A OD2 no hydrogen 2.747 N/A SER 288.A N ILE 270.A O no hydrogen 2.801 N/A SER 289.A N ILE 270.A O no hydrogen 3.279 N/A SER 289.A OG CYS 153.A O no hydrogen 2.855 N/A VAL 290.A N TRP 309.A O no hydrogen 2.850 N/A PHE 291.A N TYR 272.A O no hydrogen 2.850 N/A ASP 292.A N VAL 307.A O no hydrogen 2.883 N/A ALA 293.A N THR 274.A O no hydrogen 2.957 N/A GLN 294.A NE2 GLN 294.A O no hydrogen 3.192 N/A ALA 295.A N ASP 292.A O no hydrogen 3.310 N/A ALA 295.A N ASP 292.A OD1 no hydrogen 3.108 N/A VAL 297.A N LYS 305.A O no hydrogen 2.951 N/A LEU 299.A N PHE 303.A O no hydrogen 2.943 N/A ASN 300.A N PHE 303.A O no hydrogen 3.509 N/A ARG 302.A N ASN 300.A OD1 no hydrogen 2.996 N/A ARG 302.A NE LEU 246.A O no hydrogen 2.985 N/A ARG 302.A NH1 LEU 246.A O no hydrogen 2.896 N/A PHE 304.A N VAL 244.A O no hydrogen 3.049 N/A LYS 305.A N VAL 297.A O no hydrogen 2.836 N/A LYS 305.A NZ ASP 241.A OD1 no hydrogen 2.839 N/A LYS 305.A NZ ASP 241.A OD2 no hydrogen 3.437 N/A LYS 305.A NZ THR 243.A OG1 no hydrogen 3.099 N/A LEU 306.A N LEU 242.A O no hydrogen 2.819 N/A ALA 308.A N VAL 240.A O no hydrogen 2.964 N/A TRP 309.A N VAL 290.A O no hydrogen 2.798 N/A TRP 309.A NE1 ASP 292.A OD2 no hydrogen 2.883 N/A TYR 310.A N SER 238.A O no hydrogen 2.970 N/A TYR 310.A OH THR 150.A OG1 no hydrogen 2.748 N/A TYR 310.A OH THR 174.A OG1 no hydrogen 2.625 N/A GLU 313.A N ASP 311.A OD1 no hydrogen 2.986 N/A ILE 314.A N ASP 311.A OD1 no hydrogen 3.021 N/A GLY 315.A N ASP 311.A O no hydrogen 2.853 N/A TYR 316.A OH ALA 147.A O no hydrogen 2.646 N/A ALA 317.A N GLU 313.A O no hydrogen 2.954 N/A THR 318.A N ILE 314.A O no hydrogen 2.910 N/A THR 318.A OG1 ILE 314.A O no hydrogen 2.676 N/A ARG 319.A N GLY 315.A O no hydrogen 3.061 N/A ARG 319.A NE ASP 322.A OD2 no hydrogen 2.793 N/A ARG 319.A NH1 GLU 286.A O no hydrogen 2.784 N/A ARG 319.A NH1 SER 288.A OG no hydrogen 2.959 N/A ARG 319.A NH2 GLU 286.A O no hydrogen 3.166 N/A ARG 319.A NH2 ASP 322.A OD2 no hydrogen 2.887 N/A ILE 320.A N TYR 316.A O no hydrogen 2.942 N/A VAL 321.A N ALA 317.A O no hydrogen 3.183 N/A ASP 322.A N THR 318.A O no hydrogen 2.915 N/A LEU 323.A N ARG 319.A O no hydrogen 2.820 N/A LEU 324.A N ILE 320.A O no hydrogen 2.898 N/A GLU 325.A N VAL 321.A O no hydrogen 2.930 N/A TYR 326.A N ASP 322.A O no hydrogen 2.943 N/A VAL 327.A N LEU 323.A O no hydrogen 2.861 N/A GLN 328.A N LEU 324.A O no hydrogen 2.907 N/A GLU 329.A N GLU 325.A O no hydrogen 3.115 N/A ASN 330.A N VAL 327.A O no hydrogen 3.151 N/A ASN 330.A ND2 TYR 326.A O no hydrogen 2.823 N/A SER 331.A OG VAL 327.A O no hydrogen 2.653 N/A