Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1vjz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ILE 279.A O no hydrogen 2.941 N/A ARG 3.A NH2 TYR 320.A O no hydrogen 2.820 N/A ARG 5.A N ASN 34.A OD1 no hydrogen 2.795 N/A ARG 5.A NE TYR 320.A OXT no hydrogen 2.890 N/A ARG 5.A NH1 ASP 32.A O no hydrogen 3.023 N/A ARG 5.A NH2 LEU 317.A O no hydrogen 2.913 N/A ARG 5.A NH2 TYR 320.A OXT no hydrogen 2.947 N/A GLY 6.A N PHE 281.A O no hydrogen 3.030 N/A PHE 7.A N PHE 35.A O no hydrogen 3.230 N/A ASN 8.A N LEU 283.A O no hydrogen 2.808 N/A ASN 8.A ND2 GLY 251.A O no hydrogen 2.989 N/A ASN 8.A ND2 LEU 283.A O no hydrogen 3.398 N/A LEU 9.A N ARG 37.A O no hydrogen 2.900 N/A PHE 13.A N LEU 10.A O no hydrogen 3.106 N/A SER 14.A N SER 17.A OG no hydrogen 2.843 N/A SER 14.A OG GLU 90.A OE1 no hydrogen 2.988 N/A ILE 15.A N GLU 90.A OE2 no hydrogen 2.737 N/A LYS 16.A N SER 14.A OG no hydrogen 2.999 N/A SER 17.A N SER 14.A O no hydrogen 2.801 N/A SER 17.A OG SER 14.A O no hydrogen 3.201 N/A GLY 19.A N GLU 11.A O no hydrogen 2.710 N/A ASN 20.A N THR 18.A OG1 no hydrogen 3.353 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 2.679 N/A ASP 25.A N LYS 22.A O no hydrogen 3.003 N/A PHE 26.A N GLU 23.A O no hydrogen 3.080 N/A LEU 27.A N GLU 23.A O no hydrogen 3.091 N/A TRP 28.A N GLU 24.A O no hydrogen 2.843 N/A GLN 30.A N LEU 27.A O no hydrogen 2.945 N/A TRP 31.A N TRP 28.A O no hydrogen 2.948 N/A ASP 32.A N ALA 29.A O no hydrogen 2.941 N/A ASN 34.A N ARG 5.A O no hydrogen 2.868 N/A ASN 34.A ND2 ARG 3.A O no hydrogen 3.074 N/A VAL 36.A N HIS 74.A O no hydrogen 2.881 N/A ARG 37.A N PHE 7.A O no hydrogen 2.939 N/A ARG 37.A NE ASN 129.A OD1 no hydrogen 2.945 N/A ARG 37.A NH1 ASN 8.A OD1 no hydrogen 2.988 N/A ARG 37.A NH1 GLU 252.A OE2 no hydrogen 2.869 N/A ARG 37.A NH2 ASN 129.A OD1 no hydrogen 2.870 N/A ARG 37.A NH2 ASN 132.A OD1 no hydrogen 2.786 N/A ILE 38.A N CYS 76.A O no hydrogen 2.872 N/A HIS 41.A N ARG 81.A O no hydrogen 3.071 N/A LEU 43.A N CYS 40.A O no hydrogen 2.991 N/A TRP 44.A N HIS 41.A O no hydrogen 2.999 N/A TRP 44.A NE1 HIS 110.A ND1 no hydrogen 2.813 N/A SER 45.A OG PRO 50.A O no hydrogen 3.444 N/A SER 45.A OG ILE 52.A O no hydrogen 2.651 N/A ASN 49.A N ASP 46.A OD2 no hydrogen 2.797 N/A PHE 51.A N ASN 49.A OD1 no hydrogen 3.075 N/A ILE 52.A N ASN 49.A O no hydrogen 3.270 N/A ARG 54.A N TRP 44.A O no hydrogen 2.774 N/A ARG 54.A NH1 SER 45.A O no hydrogen 2.945 N/A ARG 54.A NH2 LEU 43.A O no hydrogen 3.375 N/A ARG 54.A NH2 SER 45.A O no hydrogen 2.853 N/A PHE 58.A N GLU 55.A O no hydrogen 2.922 N/A GLU 59.A N ASP 56.A O no hydrogen 2.960 N/A LYS 60.A N PHE 57.A O no hydrogen 3.009 N/A LYS 60.A NZ THR 18.A O no hydrogen 3.072 N/A LYS 60.A NZ ASN 20.A OD1 no hydrogen 3.510 N/A ASP 62.A N PHE 58.A O no hydrogen 2.773 N/A ARG 63.A N GLU 59.A O no hydrogen 3.235 N/A VAL 64.A N LYS 60.A O no hydrogen 3.489 N/A ILE 65.A N ILE 61.A O no hydrogen 2.992 N/A PHE 66.A N ASP 62.A O no hydrogen 2.759 N/A TRP 67.A N ARG 63.A O no hydrogen 2.724 N/A GLY 68.A N VAL 64.A O no hydrogen 2.867 N/A GLU 69.A N ILE 65.A O no hydrogen 3.183 N/A LYS 70.A N PHE 66.A O no hydrogen 3.142 N/A TYR 71.A N TRP 67.A O no hydrogen 2.814 N/A TYR 71.A OH GLU 23.A OE2 no hydrogen 2.537 N/A ILE 73.A N GLY 68.A O no hydrogen 2.853 N/A HIS 74.A N ASN 34.A O no hydrogen 2.744 N/A HIS 74.A ND1 THR 124.A O no hydrogen 3.071 N/A HIS 74.A NE2 SER 127.A OG no hydrogen 2.716 N/A ILE 75.A N HIS 125.A O no hydrogen 2.777 N/A CYS 76.A N VAL 36.A O no hydrogen 2.804 N/A CYS 76.A SG SER 127.A OG no hydrogen 3.669 N/A ILE 77.A N SER 127.A O no hydrogen 3.055 N/A SER 78.A N ILE 38.A O no hydrogen 2.861 N/A SER 78.A OG ASN 129.A OD1 no hydrogen 2.938 N/A LEU 79.A N ASN 129.A O no hydrogen 3.308 N/A ARG 81.A NH1 VAL 91.A O no hydrogen 3.029 N/A ARG 81.A NH1 GLU 93.A OE2 no hydrogen 2.768 N/A ARG 81.A NH2 ASN 88.A O no hydrogen 2.897 N/A ARG 81.A NH2 VAL 91.A O no hydrogen 3.213 N/A ALA 82.A N TYR 85.A O no hydrogen 2.950 N/A GLY 84.A N GLU 93.A OE1 no hydrogen 2.978 N/A TYR 85.A N ALA 82.A O no hydrogen 2.994 N/A TYR 85.A OH GLU 133.A O no hydrogen 2.645 N/A SER 86.A OG HIS 80.A O no hydrogen 2.891 N/A ASN 88.A N SER 86.A OG no hydrogen 3.119 N/A LYS 89.A NZ SER 86.A O no hydrogen 3.044 N/A GLU 90.A N ASN 88.A OD1 no hydrogen 2.903 N/A ASN 96.A N ASP 100.A OD2.B no hydrogen 2.796 N/A ASN 96.A ND2 ILE 141.A O no hydrogen 2.969 N/A LEU 97.A N GLY 84.A O no hydrogen 2.940 N/A TRP 98.A N ASN 96.A OD1 no hydrogen 3.014 N/A LYS 99.A N ASN 96.A O no hydrogen 2.924 N/A LYS 99.A NZ PRO 139.A O no hydrogen 2.631 N/A LYS 99.A NZ ASP 145.A OD2 no hydrogen 2.798 N/A ASP 100.A N ASN 96.A O no hydrogen 2.857 N/A ALA 103.A N ASP 100.A OD1.A no hydrogen 3.068 N/A GLN 104.A N ASP 100.A O no hydrogen 3.020 N/A GLN 104.A NE2 LEU 97.A O no hydrogen 2.953 N/A GLU 105.A N GLU 101.A O no hydrogen 2.936 N/A ALA 106.A N THR 102.A O no hydrogen 2.889 N/A PHE 107.A N ALA 103.A O no hydrogen 2.775 N/A ILE 108.A N GLN 104.A O no hydrogen 3.032 N/A HIS 109.A N GLU 105.A O no hydrogen 2.924 N/A HIS 109.A NE2 PHE 51.A O no hydrogen 3.008 N/A HIS 110.A N ALA 106.A O no hydrogen 2.887 N/A HIS 110.A NE2 PRO 50.A O no hydrogen 2.610 N/A TRP 111.A N PHE 107.A O no hydrogen 3.023 N/A TRP 111.A NE1 LEU 130.A O no hydrogen 2.880 N/A SER 112.A N ILE 108.A O no hydrogen 2.730 N/A SER 112.A OG.B ILE 108.A O no hydrogen 2.760 N/A PHE 113.A N HIS 109.A O no hydrogen 3.134 N/A ILE 114.A N HIS 110.A O no hydrogen 3.085 N/A ALA 115.A N TRP 111.A O no hydrogen 2.828 N/A ARG 116.A N SER 112.A O no hydrogen 2.862 N/A ARG 117.A N PHE 113.A O no hydrogen 2.933 N/A ARG 117.A NE ASP 62.A OD1 no hydrogen 2.858 N/A ARG 117.A NH2 ASP 62.A OD2 no hydrogen 2.780 N/A TYR 118.A N ILE 114.A O no hydrogen 3.036 N/A TYR 118.A OH ASP 62.A OD1 no hydrogen 2.527 N/A LYS 119.A NZ ILE 160.A O no hydrogen 2.915 N/A ILE 121.A N TYR 118.A O no hydrogen 2.956 N/A SER 122.A OG.A THR 124.A OG1.A no hydrogen 2.704 N/A SER 122.A OG.A HIS 125.A ND1 no hydrogen 2.868 N/A SER 122.A OG.B THR 124.A OG1.A no hydrogen 3.322 N/A SER 123.A OG GLU 163.A O no hydrogen 3.014 N/A THR 124.A N SER 122.A OG.B no hydrogen 3.159 N/A THR 124.A OG1.A SER 122.A OG.A no hydrogen 2.704 N/A THR 124.A OG1.A SER 122.A OG.B no hydrogen 3.322 N/A HIS 125.A N SER 122.A O no hydrogen 2.966 N/A LEU 126.A N SER 122.A O no hydrogen 3.159 N/A SER 127.A N ILE 75.A O no hydrogen 2.898 N/A SER 127.A OG HIS 74.A NE2 no hydrogen 2.716 N/A PHE 128.A N LEU 165.A O no hydrogen 3.111 N/A ASN 129.A N ILE 77.A O no hydrogen 2.849 N/A ASN 129.A ND2 ILE 167.A O no hydrogen 2.951 N/A ASN 129.A ND2 ASP 169.A OD1 no hydrogen 2.960 N/A LEU 130.A N ILE 167.A O no hydrogen 3.404 N/A ASN 132.A N LEU 79.A O no hydrogen 2.826 N/A ASN 132.A ND2 GLU 133.A OE1 no hydrogen 3.012 N/A GLU 133.A N ASP 169.A OD2 no hydrogen 2.783 N/A GLN 140.A N ASP 138.A OD1 no hydrogen 3.049 N/A ILE 141.A N ASP 138.A O no hydrogen 2.677 N/A ASP 145.A N SER 142.A OG no hydrogen 3.011 N/A HIS 146.A N SER 142.A O no hydrogen 3.179 N/A HIS 146.A ND1 ASN 147.A OD1 no hydrogen 2.866 N/A ASN 147.A N VAL 143.A O no hydrogen 2.881 N/A SER 148.A N GLU 144.A O no hydrogen 2.945 N/A SER 148.A OG.A GLU 144.A O no hydrogen 2.700 N/A SER 148.A OG.A ASP 145.A O no hydrogen 3.045 N/A LEU 149.A N ASP 145.A O no hydrogen 3.197 N/A ILE 150.A N HIS 146.A O no hydrogen 2.935 N/A LYS 151.A N ASN 147.A O no hydrogen 3.009 N/A LYS 151.A NZ ASP 180.A OD2.B no hydrogen 3.138 N/A ARG 152.A N SER 148.A O no hydrogen 2.981 N/A THR 153.A N LEU 149.A O no hydrogen 2.954 N/A THR 153.A OG1 LEU 149.A O no hydrogen 2.780 N/A ILE 154.A N ILE 150.A O no hydrogen 2.958 N/A THR 155.A N LYS 151.A O no hydrogen 2.888 N/A THR 155.A OG1 LYS 151.A O no hydrogen 2.813 N/A GLU 156.A N ARG 152.A O no hydrogen 3.091 N/A ILE 157.A N THR 153.A O no hydrogen 2.904 N/A ARG 158.A N ILE 154.A O no hydrogen 2.810 N/A ARG 158.A NE ARG 164.A O no hydrogen 3.037 N/A ARG 158.A NH1 GLU 184.A O no hydrogen 2.792 N/A ARG 158.A NH2 ARG 164.A O no hydrogen 2.921 N/A ARG 158.A NH2 GLU 184.A O no hydrogen 3.214 N/A ARG 158.A NH2 ASN 185.A O no hydrogen 2.700 N/A LYS 159.A N THR 155.A O no hydrogen 3.060 N/A LYS 159.A N GLU 156.A O no hydrogen 3.180 N/A LYS 159.A NZ GLU 156.A OE2 no hydrogen 2.676 N/A ILE 160.A N ILE 157.A O no hydrogen 3.003 N/A ASP 161.A N ILE 157.A O no hydrogen 2.828 N/A ARG 164.A N ASP 161.A O no hydrogen 3.099 N/A ARG 164.A NH1 ILE 121.A O no hydrogen 2.720 N/A ARG 164.A NH2 ILE 121.A O no hydrogen 2.955 N/A LEU 165.A N SER 123.A OG no hydrogen 2.868 N/A ILE 166.A N ASN 185.A O no hydrogen 3.458 N/A ILE 167.A N PHE 128.A O no hydrogen 2.745 N/A ILE 168.A N VAL 187.A O no hydrogen 2.676 N/A GLY 170.A N SER 189.A O no hydrogen 2.989 N/A LEU 171.A N ILE 176.A O no hydrogen 2.908 N/A GLY 172.A N PRO 135.A O no hydrogen 2.956 N/A TYR 173.A N PRO 134.A O no hydrogen 2.793 N/A GLY 174.A N GLY 170.A O no hydrogen 2.878 N/A ASN 175.A N LEU 171.A O no hydrogen 2.895 N/A ILE 176.A N LEU 171.A O no hydrogen 2.816 N/A VAL 178.A N GLN 188.A OE1 no hydrogen 2.802 N/A ILE 183.A N LEU 181.A O no hydrogen 2.875 N/A ASN 185.A ND2 GLU 163.A O no hydrogen 2.950 N/A THR 186.A OG1 ILE 183.A O no hydrogen 2.989 N/A VAL 187.A N ILE 166.A O no hydrogen 2.967 N/A GLN 188.A N GLU 247.A O no hydrogen 2.881 N/A GLN 188.A NE2 VAL 178.A O no hydrogen 2.774 N/A SER 189.A N ILE 168.A O no hydrogen 2.793 N/A CYS 190.A N PHE 249.A O no hydrogen 2.765 N/A CYS 190.A SG PHE 249.A O no hydrogen 3.640 N/A ARG 191.A NE GLU 133.A OE2 no hydrogen 2.877 N/A ARG 191.A NH1 SER 189.A OG no hydrogen 3.223 N/A ARG 191.A NH1 CYS 190.A O no hydrogen 3.135 N/A ARG 191.A NH2 ASN 132.A OD1 no hydrogen 2.999 N/A GLY 192.A N GLU 252.A O no hydrogen 2.797 N/A TYR 193.A OH GLU 252.A OE1 no hydrogen 2.502 N/A PHE 196.A N HIS 221.A ND1 no hydrogen 2.898 N/A SER 197.A N TRP 220.A O no hydrogen 2.945 N/A SER 197.A OG TRP 220.A O no hydrogen 3.130 N/A VAL 198.A N PRO 195.A O no hydrogen 3.057 N/A THR 199.A N PRO 195.A O no hydrogen 3.101 N/A THR 199.A OG1 TYR 193.A O no hydrogen 2.588 N/A THR 199.A OG1 PRO 195.A O no hydrogen 3.355 N/A THR 199.A OG1 HIS 200.A ND1 no hydrogen 2.856 N/A HIS 200.A N PHE 196.A O no hydrogen 2.813 N/A HIS 200.A ND1 THR 199.A OG1 no hydrogen 2.856 N/A ALA 203.A N HIS 200.A O no hydrogen 2.967 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 2.842 N/A SER 208.A OG ALA 203.A O no hydrogen 2.669 N/A PHE 211.A N SER 208.A O no hydrogen 2.998 N/A TRP 216.A NE1 ASP 269.A OD2 no hydrogen 2.709 N/A GLY 219.A N TRP 226.A O no hydrogen 3.227 N/A TRP 220.A N SER 197.A OG no hydrogen 2.889 N/A HIS 221.A N GLU 224.A O no hydrogen 2.777 N/A GLU 224.A N HIS 221.A O no hydrogen 3.134 N/A TRP 226.A N GLY 219.A O no hydrogen 2.786 N/A LYS 230.A N ASN 227.A OD1 no hydrogen 2.873 N/A LEU 231.A N ASN 227.A O no hydrogen 3.066 N/A LEU 232.A N ARG 228.A O no hydrogen 2.859 N/A GLU 233.A N GLU 229.A O no hydrogen 2.974 N/A HIS 234.A N LYS 230.A O no hydrogen 3.032 N/A TYR 235.A N LEU 231.A O no hydrogen 3.050 N/A TYR 235.A OH ARG 191.A O no hydrogen 2.573 N/A LEU 236.A N LEU 232.A O no hydrogen 2.893 N/A THR 237.A N GLU 233.A O no hydrogen 3.081 N/A THR 237.A OG1 GLU 233.A O no hydrogen 3.387 N/A TRP 238.A N HIS 234.A O no hydrogen 3.258 N/A TRP 238.A NE1 ASN 175.A O no hydrogen 2.966 N/A ILE 239.A N TYR 235.A O no hydrogen 2.989 N/A LEU 241.A N TRP 238.A O no hydrogen 3.054 N/A ARG 242.A N ILE 239.A O no hydrogen 3.022 N/A ARG 242.A NE GLU 247.A OE1 no hydrogen 2.747 N/A ARG 242.A NH1 LEU 277.A O no hydrogen 2.935 N/A ARG 242.A NH2 GLU 247.A OE1 no hydrogen 3.120 N/A ARG 242.A NH2 LEU 277.A O no hydrogen 3.217 N/A GLN 243.A N LYS 240.A O no hydrogen 3.108 N/A LYS 244.A N LEU 241.A O no hydrogen 2.830 N/A LYS 244.A NZ.A LYS 240.A O no hydrogen 3.093 N/A LYS 244.A NZ.B ASP 179.A O no hydrogen 2.849 N/A GLY 245.A N ARG 242.A O no hydrogen 2.833 N/A ILE 246.A N LEU 241.A O no hydrogen 3.152 N/A GLU 247.A N THR 186.A O no hydrogen 3.479 N/A VAL 248.A N GLU 247.A OE1 no hydrogen 2.876 N/A PHE 249.A N GLN 188.A O no hydrogen 3.119 N/A CYS 250.A N GLY 280.A O no hydrogen 2.813 N/A CYS 250.A SG CYS 190.A O no hydrogen 3.898 N/A CYS 250.A SG GLU 252.A O no hydrogen 3.400 N/A GLY 251.A N CYS 190.A O no hydrogen 3.220 N/A GLY 253.A N GLY 192.A O no hydrogen 3.157 N/A TYR 255.A N THR 199.A O no hydrogen 2.820 N/A TYR 255.A OH GLU 204.A OE1 no hydrogen 2.805 N/A ASN 256.A ND2 SER 295.A O no hydrogen 2.923 N/A LYS 257.A NZ ASN 256.A OD1 no hydrogen 2.813 N/A THR 258.A OG1 VAL 198.A O no hydrogen 2.558 N/A HIS 260.A N ASP 299.A OD2 no hydrogen 2.755 N/A HIS 260.A NE2 ASP 311.A OD2 no hydrogen 2.748 N/A VAL 263.A N PRO 259.A O no hydrogen 3.088 N/A LEU 264.A N HIS 260.A O no hydrogen 2.980 N/A LYS 265.A N ASP 261.A O no hydrogen 3.024 N/A LYS 265.A NZ TRP 216.A O no hydrogen 3.560 N/A TRP 266.A N VAL 262.A O no hydrogen 2.938 N/A TRP 266.A NE1 ILE 194.A O no hydrogen 2.812 N/A LEU 267.A N VAL 263.A O no hydrogen 2.698 N/A GLU 268.A N LEU 264.A O no hydrogen 2.995 N/A ASP 269.A N LYS 265.A O no hydrogen 3.216 N/A LEU 270.A N TRP 266.A O no hydrogen 2.964 N/A LEU 271.A N LEU 267.A O no hydrogen 2.798 N/A GLU 272.A N GLU 268.A O no hydrogen 2.856 N/A ILE 273.A N ASP 269.A O no hydrogen 3.193 N/A PHE 274.A N LEU 270.A O no hydrogen 2.979 N/A LYS 275.A N LEU 271.A O no hydrogen 2.944 N/A THR 276.A N GLU 272.A O no hydrogen 2.931 N/A THR 276.A OG1 GLU 272.A O no hydrogen 3.088 N/A LEU 277.A N ILE 273.A O no hydrogen 2.684 N/A ASN 278.A N LYS 275.A O no hydrogen 3.127 N/A ILE 279.A N PHE 274.A O no hydrogen 2.625 N/A PHE 281.A N TRP 4.A O no hydrogen 2.818 N/A ALA 282.A N CYS 250.A O no hydrogen 2.886 N/A LEU 283.A N GLY 6.A O no hydrogen 2.878 N/A ASN 285.A ND2 TRP 284.A O no hydrogen 2.691 N/A ARG 287.A NE ASP 25.A OD1 no hydrogen 2.809 N/A ARG 287.A NE ASP 25.A OD2 no hydrogen 3.306 N/A ARG 287.A NH2 GLU 11.A OE2 no hydrogen 2.937 N/A ARG 287.A NH2 ASP 25.A OD2 no hydrogen 2.805 N/A GLY 288.A N LEU 293.A O no hydrogen 2.859 N/A PHE 290.A N ASN 285.A OD1 no hydrogen 2.975 N/A GLY 291.A N GLY 288.A O no hydrogen 2.846 N/A LEU 293.A N PHE 286.A O no hydrogen 3.111 N/A ASP 294.A N LYS 309.A O no hydrogen 2.735 N/A SER 295.A OG TYR 302.A OH no hydrogen 2.531 N/A ARG 297.A N TYR 302.A OH no hydrogen 2.759 N/A ARG 297.A NH1 TYR 255.A O no hydrogen 3.108 N/A ARG 297.A NH2 TYR 255.A O no hydrogen 2.788 N/A TYR 302.A OH SER 295.A OG no hydrogen 2.531 N/A GLU 303.A N LEU 310.A O no hydrogen 2.869 N/A TRP 305.A N HIS 308.A O no hydrogen 2.849 N/A GLY 307.A N GLU 304.A OE2.A no hydrogen 2.773 N/A HIS 308.A N TRP 305.A O no hydrogen 2.813 N/A HIS 308.A ND1 ASP 294.A OD2 no hydrogen 2.609 N/A LYS 309.A N ASP 294.A OD1 no hydrogen 3.041 N/A LEU 310.A N GLU 303.A O no hydrogen 2.785 N/A ASP 311.A N ILE 292.A O no hydrogen 2.788 N/A ARG 312.A NE GLU 303.A OE1 no hydrogen 2.997 N/A ARG 312.A NH1 GLU 315.A OE2 no hydrogen 2.778 N/A ARG 312.A NH2 GLU 303.A OE2 no hydrogen 2.919 N/A GLU 315.A N ARG 312.A O no hydrogen 2.779 N/A LEU 316.A N LYS 313.A O no hydrogen 3.034 N/A ARG 318.A N LEU 314.A O no hydrogen 2.940 N/A ARG 318.A NH1 GLU 315.A OE2 no hydrogen 2.994 N/A LYS 319.A N GLU 315.A O no hydrogen 3.036 N/A LYS 319.A NZ GLU 268.A OE2 no hydrogen 3.208 N/A TYR 320.A N LEU 317.A O no hydrogen 3.136 N/A TYR 320.A OH GLU 268.A OE2 no hydrogen 2.564 N/A