Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q3n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 MET 1.A O no hydrogen 3.044 N/A ASN 3.A ND2 ASP 71.A O no hydrogen 3.010 N/A LYS 5.A N ASN 3.A OD1 no hydrogen 2.818 N/A LYS 5.A NZ ASP 68.A O no hydrogen 2.964 N/A LYS 5.A NZ ASP 71.A OD1 no hydrogen 2.791 N/A VAL 6.A N GLU 30.A O no hydrogen 2.954 N/A VAL 7.A N LEU 74.A O no hydrogen 2.971 N/A VAL 8.A N VAL 32.A O no hydrogen 2.824 N/A VAL 9.A N VAL 76.A O no hydrogen 2.866 N/A GLY 10.A N LEU 34.A O no hydrogen 2.785 N/A THR 11.A N ASP 35.A OD2 no hydrogen 2.767 N/A THR 11.A OG1 ASP 35.A OD2 no hydrogen 2.944 N/A MET 16.A N GLY 12.A O no hydrogen 2.993 N/A SER 17.A N PHE 13.A O no hydrogen 2.942 N/A SER 17.A OG PHE 13.A O no hydrogen 2.840 N/A TYR 18.A N VAL 14.A O no hydrogen 3.071 N/A TYR 18.A OH THR 242.A OG1 no hydrogen 2.670 N/A ALA 19.A N GLY 15.A O no hydrogen 2.926 N/A TYR 20.A N MET 16.A O no hydrogen 2.812 N/A ALA 21.A N SER 17.A O no hydrogen 2.858 N/A MET 22.A N TYR 18.A O no hydrogen 2.951 N/A VAL 23.A N ALA 19.A O no hydrogen 2.942 N/A ASN 24.A N TYR 20.A O no hydrogen 2.958 N/A ASN 24.A ND2 TYR 20.A O no hydrogen 2.840 N/A GLN 25.A N ALA 21.A O no hydrogen 2.844 N/A GLY 26.A N VAL 23.A O no hydrogen 3.363 N/A THR 27.A N MET 22.A O no hydrogen 3.063 N/A GLU 29.A N SER 4.A OG no hydrogen 2.929 N/A GLU 30.A N SER 4.A O no hydrogen 2.999 N/A LEU 31.A N SER 60.A O no hydrogen 2.878 N/A VAL 32.A N VAL 6.A O no hydrogen 2.949 N/A LEU 33.A N LYS 62.A O no hydrogen 2.843 N/A LEU 34.A N VAL 8.A O no hydrogen 2.837 N/A ASP 37.A N ASP 35.A OD1 no hydrogen 2.747 N/A LYS 38.A NZ ASP 65.A OD1 no hydrogen 3.238 N/A LYS 40.A N ASP 37.A OD1 no hydrogen 3.187 N/A LYS 40.A NZ THR 11.A O no hydrogen 2.866 N/A LYS 40.A NZ GLU 44.A OE2 no hydrogen 2.681 N/A ALA 41.A N ASP 37.A O no hydrogen 3.161 N/A GLU 42.A N LYS 38.A O no hydrogen 2.968 N/A GLY 43.A N ARG 39.A O no hydrogen 2.951 N/A GLU 44.A N LYS 40.A O no hydrogen 2.898 N/A ALA 45.A N ALA 41.A O no hydrogen 2.905 N/A MET 46.A N GLU 42.A O no hydrogen 2.998 N/A ASP 47.A N GLY 43.A O no hydrogen 3.000 N/A LEU 48.A N GLU 44.A O no hydrogen 2.988 N/A ASN 49.A N ALA 45.A O no hydrogen 2.847 N/A ASN 49.A ND2 ILE 61.A O no hydrogen 3.003 N/A HIS 50.A N MET 46.A O no hydrogen 2.943 N/A GLY 51.A N LEU 48.A O no hydrogen 3.098 N/A LEU 52.A N ASN 49.A O no hydrogen 3.060 N/A PHE 54.A N GLY 51.A O no hydrogen 2.874 N/A GLY 55.A N LEU 52.A O no hydrogen 2.917 N/A ARG 57.A NH1 GLY 26.A O no hydrogen 3.006 N/A SER 60.A N GLU 29.A O no hydrogen 2.887 N/A LYS 62.A N LEU 31.A O no hydrogen 3.175 N/A LYS 62.A NZ ASP 68.A OD1 no hydrogen 3.088 N/A GLY 64.A N LEU 33.A O no hydrogen 2.780 N/A ASP 65.A N ASP 68.A OD2 no hydrogen 2.819 N/A ASP 68.A N ASP 65.A O no hydrogen 2.992 N/A CYS 69.A N TYR 66.A O no hydrogen 2.859 N/A LYS 70.A N LYS 67.A O no hydrogen 3.208 N/A ALA 72.A N CYS 69.A O no hydrogen 2.999 N/A GLY 73.A N LYS 5.A O no hydrogen 2.908 N/A VAL 75.A N ILE 115.A O no hydrogen 2.924 N/A VAL 76.A N VAL 7.A O no hydrogen 2.814 N/A ILE 77.A N LEU 117.A O no hydrogen 2.862 N/A THR 78.A N VAL 9.A O no hydrogen 2.891 N/A THR 78.A OG1 VAL 9.A O no hydrogen 3.072 N/A THR 78.A OG1 GLY 10.A O no hydrogen 2.940 N/A VAL 81.A N ASN 96.A OD1 no hydrogen 2.848 N/A GLN 83.A NE2 GLU 87.A O no hydrogen 2.695 N/A LYS 84.A N GLU 87.A OE1 no hydrogen 2.866 N/A GLU 87.A N LYS 84.A O no hydrogen 3.011 N/A HIS 91.A N THR 88.A OG1 no hydrogen 3.114 N/A HIS 91.A ND1 GLU 87.A OE2 no hydrogen 2.635 N/A LEU 92.A N THR 88.A O no hydrogen 3.185 N/A LEU 93.A N ARG 89.A O no hydrogen 2.911 N/A LYS 94.A N ILE 90.A O no hydrogen 2.911 N/A ARG 95.A N HIS 91.A O no hydrogen 2.882 N/A ARG 95.A NH1 GLU 87.A OE2 no hydrogen 2.996 N/A ASN 96.A N LEU 92.A O no hydrogen 2.844 N/A ASN 96.A ND2 VAL 81.A O no hydrogen 3.537 N/A ASN 96.A ND2 LEU 92.A O no hydrogen 3.152 N/A ALA 97.A N LEU 93.A O no hydrogen 2.926 N/A GLU 98.A N LYS 94.A O no hydrogen 3.062 N/A ILE 99.A N ARG 95.A O no hydrogen 3.106 N/A ILE 100.A N ASN 96.A O no hydrogen 2.999 N/A LYS 101.A N ALA 97.A O no hydrogen 2.925 N/A THR 102.A N GLU 98.A O no hydrogen 2.975 N/A THR 102.A OG1 GLU 98.A O no hydrogen 3.066 N/A VAL 103.A N ILE 99.A O no hydrogen 2.879 N/A VAL 104.A N ILE 100.A O no hydrogen 2.827 N/A LYS 105.A N LYS 101.A O no hydrogen 2.938 N/A LYS 105.A NZ GLU 133.A O no hydrogen 2.801 N/A LYS 105.A NZ GLU 133.A OE1 no hydrogen 3.050 N/A ASN 106.A N THR 102.A O no hydrogen 3.075 N/A ILE 107.A N VAL 103.A O no hydrogen 2.831 N/A MET 108.A N VAL 104.A O no hydrogen 2.836 N/A SER 109.A N LYS 105.A O no hydrogen 2.971 N/A SER 109.A OG.A ASN 106.A O no hydrogen 2.576 N/A SER 109.A OG.B LYS 105.A O no hydrogen 3.031 N/A SER 110.A N ILE 107.A O no hydrogen 3.096 N/A SER 110.A OG ILE 107.A O no hydrogen 2.660 N/A GLY 111.A N MET 108.A O no hydrogen 3.108 N/A PHE 112.A N SER 110.A OG no hydrogen 3.133 N/A ILE 115.A N GLY 73.A O no hydrogen 2.966 N/A LEU 116.A N ARG 140.A O no hydrogen 2.844 N/A LEU 117.A N VAL 75.A O no hydrogen 2.931 N/A VAL 118.A N ILE 142.A O no hydrogen 2.789 N/A ALA 119.A N ILE 77.A O no hydrogen 2.781 N/A SER 120.A N ILE 77.A O no hydrogen 3.298 N/A SER 120.A OG ILE 77.A O no hydrogen 3.324 N/A SER 120.A OG ALA 79.A O no hydrogen 2.622 N/A LEU 126.A N PRO 122.A O no hydrogen 3.004 N/A ALA 127.A N VAL 123.A O no hydrogen 2.855 N/A TYR 128.A N ASP 124.A O no hydrogen 3.291 N/A VAL 129.A N VAL 125.A O no hydrogen 2.966 N/A ALA 130.A N LEU 126.A O no hydrogen 2.794 N/A TRP 131.A N ALA 127.A O no hydrogen 2.804 N/A LYS 132.A N TYR 128.A O no hydrogen 2.917 N/A LYS 132.A NZ.A TYR 128.A OH no hydrogen 2.615 N/A GLU 133.A N VAL 129.A O no hydrogen 2.887 N/A SER 134.A N ALA 130.A O no hydrogen 2.937 N/A SER 134.A N TRP 131.A O no hydrogen 3.249 N/A SER 134.A OG ALA 130.A O no hydrogen 3.228 N/A SER 134.A OG TRP 131.A O no hydrogen 2.899 N/A LEU 136.A N SER 134.A OG no hydrogen 2.996 N/A HIS 137.A ND1 SER 139.A OG no hydrogen 2.730 N/A SER 139.A N HIS 137.A ND1 no hydrogen 3.018 N/A SER 139.A OG HIS 137.A ND1 no hydrogen 2.730 N/A ARG 140.A N HIS 137.A O no hydrogen 2.932 N/A ARG 140.A NH1 ASP 280.A O no hydrogen 2.968 N/A ARG 140.A NH2 ASN 113.A O no hydrogen 2.983 N/A VAL 141.A N HIS 138.A O no hydrogen 3.298 N/A ILE 142.A N LEU 116.A O no hydrogen 2.803 N/A GLY 143.A N SER 256.A O.A no hydrogen 3.068 N/A GLY 143.A N SER 256.A O.B no hydrogen 3.039 N/A SER 144.A N VAL 118.A O no hydrogen 3.035 N/A THR 146.A OG1 ILE 172.A O no hydrogen 2.721 N/A SER 147.A N SER 144.A O no hydrogen 3.120 N/A SER 147.A OG SER 144.A O no hydrogen 2.687 N/A THR 150.A N THR 146.A O no hydrogen 2.858 N/A THR 150.A OG1 THR 146.A O no hydrogen 2.834 N/A ALA 151.A N SER 147.A O no hydrogen 3.043 N/A ARG 152.A N LEU 148.A O no hydrogen 2.890 N/A LEU 153.A N ASP 149.A O no hydrogen 2.919 N/A ARG 154.A N THR 150.A O no hydrogen 2.911 N/A ARG 154.A NE.A SER 165.A O no hydrogen 3.306 N/A ARG 154.A NE.A VAL 168.A O no hydrogen 2.737 N/A ARG 154.A NE.B ALA 170.A O no hydrogen 3.080 N/A ARG 154.A NH2.B ALA 170.A O no hydrogen 3.093 N/A TYR 155.A N ALA 151.A O no hydrogen 2.967 N/A GLU 156.A N ARG 152.A O no hydrogen 2.880 N/A ILE 157.A N LEU 153.A O no hydrogen 2.982 N/A SER 158.A N ARG 154.A O no hydrogen 2.963 N/A SER 158.A OG TYR 155.A O no hydrogen 2.662 N/A GLN 159.A N TYR 155.A O no hydrogen 3.202 N/A GLN 159.A N GLU 156.A O no hydrogen 3.197 N/A GLN 159.A NE2 SER 158.A OG no hydrogen 3.085 N/A TYR 160.A N ILE 157.A O no hydrogen 2.971 N/A TYR 160.A OH HIS 211.A ND1 no hydrogen 3.167 N/A ILE 161.A N ILE 157.A O no hydrogen 3.216 N/A HIS 162.A N SER 158.A O no hydrogen 2.802 N/A ARG 166.A N ASP 164.A OD1 no hydrogen 2.972 N/A ARG 166.A NE ASP 164.A OD1 no hydrogen 3.001 N/A ARG 166.A NE ASP 164.A OD2 no hydrogen 3.370 N/A ARG 166.A NH2 ASP 164.A OD2 no hydrogen 2.806 N/A ASN 167.A N ASP 164.A O no hydrogen 2.828 N/A VAL 168.A N SER 165.A O no hydrogen 3.003 N/A HIS 169.A N ASN 188.A O no hydrogen 2.734 N/A ILE 172.A N THR 150.A OG1 no hydrogen 3.014 N/A LEU 173.A N PHE 181.A O no hydrogen 2.928 N/A GLY 174.A N GLY 272.A O no hydrogen 2.956 N/A GLU 175.A N SER 301.A OG no hydrogen 2.773 N/A HIS 176.A N ASP 124.A OD2 no hydrogen 2.798 N/A HIS 176.A ND1 ASP 149.A OD2 no hydrogen 2.544 N/A SER 179.A N GLU 175.A OE1 no hydrogen 3.163 N/A SER 179.A OG GLU 175.A OE1 no hydrogen 2.703 N/A SER 179.A OG SER 301.A OG no hydrogen 2.539 N/A GLU 180.A N GLY 177.A O no hydrogen 3.124 N/A PHE 181.A N LEU 173.A O no hydrogen 3.022 N/A CYS 183.A N TYR 171.A O no hydrogen 3.060 N/A SER 185.A N GLU 294.A OE2 no hydrogen 2.894 N/A SER 185.A OG GLU 294.A OE1 no hydrogen 2.555 N/A SER 185.A OG GLU 294.A OE2 no hydrogen 3.155 N/A ASN 186.A ND2 SER 185.A OG no hydrogen 2.960 N/A ASN 186.A ND2 LYS 289.A O no hydrogen 2.998 N/A ASN 188.A N HIS 169.A O no hydrogen 2.928 N/A ASN 188.A ND2 GLY 190.A O no hydrogen 2.846 N/A VAL 189.A N LYS 192.A O no hydrogen 2.837 N/A GLY 190.A N ASN 167.A O no hydrogen 2.785 N/A LYS 192.A N VAL 189.A O no hydrogen 2.966 N/A LYS 192.A NZ SER 200.A OG no hydrogen 2.931 N/A ILE 194.A N ALA 187.A O no hydrogen 2.823 N/A VAL 197.A N PRO 193.A O no hydrogen 3.100 N/A ILE 198.A N ILE 194.A O no hydrogen 2.928 N/A ASP 199.A N ALA 195.A O no hydrogen 3.069 N/A SER 200.A N ASP 196.A O no hydrogen 3.014 N/A SER 200.A N VAL 197.A O no hydrogen 3.020 N/A SER 200.A OG ASP 196.A O no hydrogen 3.273 N/A MET 201.A N VAL 197.A O no hydrogen 2.913 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 2.736 N/A ILE 204.A N MET 201.A O no hydrogen 3.393 N/A SER 205.A N ASP 208.A OD2 no hydrogen 2.707 N/A SER 205.A OG.B GLU 207.A OE1 no hydrogen 3.337 N/A SER 205.A OG.B ASP 208.A OD2 no hydrogen 2.876 N/A ASP 208.A N SER 205.A O no hydrogen 3.016 N/A LEU 209.A N PHE 206.A O no hydrogen 3.033 N/A HIS 211.A N GLU 207.A O no hydrogen 3.485 N/A ILE 212.A N ASP 208.A O no hydrogen 2.819 N/A TYR 213.A N LEU 209.A O no hydrogen 2.979 N/A LEU 214.A N GLU 210.A O no hydrogen 3.019 N/A LYS 215.A N HIS 211.A O no hydrogen 2.882 N/A LYS 215.A NZ GLU 156.A OE1 no hydrogen 3.158 N/A LYS 215.A NZ GLU 156.A OE2 no hydrogen 3.231 N/A VAL 216.A N ILE 212.A O no hydrogen 2.882 N/A ARG 217.A N TYR 213.A O no hydrogen 2.835 N/A ARG 217.A NH1 TYR 213.A OH no hydrogen 3.016 N/A ASP 218.A N LEU 214.A O no hydrogen 2.934 N/A ALA 219.A N VAL 216.A O no hydrogen 3.362 N/A GLU 222.A N ASP 218.A O no hydrogen 2.925 N/A ILE 223.A N ALA 219.A O no hydrogen 3.001 N/A ILE 224.A N ALA 220.A O no hydrogen 2.876 N/A SER 225.A N TYR 221.A O no hydrogen 2.857 N/A SER 225.A OG TYR 221.A O no hydrogen 3.331 N/A SER 225.A OG GLU 222.A O no hydrogen 2.817 N/A ARG 226.A N ILE 223.A O no hydrogen 2.875 N/A ARG 226.A NE GLU 222.A OE2 no hydrogen 2.696 N/A ARG 226.A NH2 GLU 222.A OE2 no hydrogen 3.130 N/A LYS 227.A N ILE 223.A O no hydrogen 2.848 N/A LYS 228.A N ILE 224.A O no hydrogen 2.868 N/A GLY 235.A N TYR 231.A O no hydrogen 3.059 N/A MET 236.A N TYR 232.A O no hydrogen 3.200 N/A ALA 237.A N GLY 233.A O no hydrogen 3.120 N/A LEU 238.A N ILE 234.A O no hydrogen 2.820 N/A VAL 239.A N GLY 235.A O no hydrogen 3.078 N/A ARG 240.A N MET 236.A O no hydrogen 2.997 N/A ARG 240.A NH1 ARG 240.A O no hydrogen 3.027 N/A ARG 240.A NH1 GLU 249.A OE1 no hydrogen 2.887 N/A ARG 240.A NH2 GLU 249.A OE1 no hydrogen 2.929 N/A ILE 241.A N ALA 237.A O no hydrogen 2.995 N/A THR 242.A N LEU 238.A O no hydrogen 2.915 N/A THR 242.A OG1 TYR 18.A OH no hydrogen 2.670 N/A THR 242.A OG1 LEU 238.A O no hydrogen 2.678 N/A ALA 243.A N VAL 239.A O no hydrogen 2.775 N/A ALA 244.A N ARG 240.A O no hydrogen 3.037 N/A ILE 245.A N ILE 241.A O no hydrogen 3.227 N/A PHE 246.A N THR 242.A O no hydrogen 2.851 N/A ASN 247.A N ALA 243.A O no hydrogen 2.828 N/A ASN 247.A ND2 ALA 243.A O no hydrogen 3.198 N/A ASN 248.A N ILE 245.A O no hydrogen 3.023 N/A GLU 249.A N ALA 244.A O no hydrogen 2.928 N/A ARG 251.A N LEU 277.A O no hydrogen 3.105 N/A LEU 253.A N ALA 275.A O no hydrogen 2.943 N/A ILE 255.A N LEU 273.A O no hydrogen 3.005 N/A SER 256.A N.A GLY 143.A O no hydrogen 2.936 N/A SER 256.A N.B GLY 143.A O no hydrogen 2.932 N/A SER 256.A OG.A ASP 124.A OD1 no hydrogen 2.597 N/A SER 256.A OG.B ASP 124.A OD1 no hydrogen 2.824 N/A VAL 257.A N ILE 271.A O no hydrogen 3.046 N/A ASN 259.A N VAL 269.A O no hydrogen 2.997 N/A ASN 259.A ND2 TYR 263.A O no hydrogen 3.019 N/A ASN 259.A ND2 GLU 266.A O no hydrogen 3.040 N/A ASN 260.A N ASP 267.A O no hydrogen 2.824 N/A VAL 262.A N ASN 259.A O no hydrogen 3.134 N/A TYR 263.A N ASN 259.A OD1 no hydrogen 2.730 N/A TYR 263.A OH VAL 286.A O no hydrogen 2.636 N/A CYS 265.A SG GLU 266.A O no hydrogen 3.859 N/A GLN 268.A N GLU 266.A OE1.B no hydrogen 3.181 N/A TYR 270.A OH HIS 138.A O no hydrogen 3.276 N/A TYR 270.A OH VAL 141.A O no hydrogen 2.782 N/A ILE 271.A N VAL 257.A O no hydrogen 2.878 N/A GLY 272.A N GLY 174.A O no hydrogen 2.986 N/A LEU 273.A N ILE 255.A O no hydrogen 2.936 N/A ALA 275.A N LEU 253.A O no hydrogen 2.834 N/A VAL 276.A N HIS 284.A O no hydrogen 2.976 N/A LEU 277.A N ARG 251.A O no hydrogen 2.869 N/A ASN 278.A N GLY 281.A O no hydrogen 3.025 N/A ASN 278.A ND2 ASN 250.A OD1 no hydrogen 2.873 N/A LYS 279.A N ASN 248.A OD1 no hydrogen 3.000 N/A LYS 279.A NZ ASP 280.A OD1 no hydrogen 3.195 N/A LYS 279.A NZ ASP 280.A OD2 no hydrogen 3.563 N/A ASP 280.A N ASN 278.A OD1 no hydrogen 2.814 N/A GLY 281.A N ASN 278.A O no hydrogen 2.979 N/A VAL 282.A N SER 139.A O no hydrogen 2.849 N/A HIS 283.A N VAL 276.A O no hydrogen 2.724 N/A HIS 283.A ND1 HIS 284.A ND1 no hydrogen 2.778 N/A HIS 284.A ND1 HIS 283.A ND1 no hydrogen 2.778 N/A VAL 286.A N PRO 274.A O no hydrogen 2.859 N/A LYS 287.A NZ LEU 288.A O no hydrogen 2.851 N/A LEU 288.A N TYR 263.A OH no hydrogen 2.828 N/A ASN 291.A N GLU 294.A OE1 no hydrogen 2.932 N/A GLU 294.A N ASN 291.A OD1 no hydrogen 2.914 N/A ASN 295.A N ASN 291.A O no hydrogen 2.921 N/A ASN 295.A ND2 ASP 264.A OD1 no hydrogen 3.203 N/A ASN 295.A ND2 ASP 264.A OD2 no hydrogen 3.457 N/A SER 296.A N GLU 292.A O no hydrogen 3.058 N/A GLN 297.A N LYS 293.A O no hydrogen 2.872 N/A LEU 298.A N GLU 294.A O no hydrogen 2.766 N/A ASN 299.A N ASN 295.A O no hydrogen 2.937 N/A ASN 300.A N SER 296.A O no hydrogen 2.913 N/A SER 301.A N GLN 297.A O no hydrogen 3.020 N/A SER 301.A OG SER 179.A O no hydrogen 3.436 N/A SER 301.A OG SER 179.A OG no hydrogen 2.539 N/A ALA 302.A N LEU 298.A O no hydrogen 2.794 N/A ASN 303.A N ASN 299.A O no hydrogen 2.829 N/A ILE 304.A N ASN 300.A O no hydrogen 3.053 N/A LEU 305.A N SER 301.A O no hydrogen 3.193 N/A ARG 306.A N ALA 302.A O no hydrogen 2.861 N/A ARG 306.A NE ARG 306.A O no hydrogen 3.201 N/A ARG 306.A NE ASP 310.A OD1 no hydrogen 3.132 N/A ARG 306.A NH1 TYR 128.A OH no hydrogen 3.439 N/A ARG 306.A NH1 GLN 268.A O no hydrogen 2.805 N/A ARG 306.A NH2 ASP 310.A OD1 no hydrogen 2.946 N/A ARG 306.A NH2 TYR 314.A O no hydrogen 3.004 N/A LYS 307.A N ASN 303.A O no hydrogen 2.905 N/A LYS 307.A NZ ASP 311.A OD1 no hydrogen 3.231 N/A LYS 307.A NZ ASP 311.A OD2 no hydrogen 2.770 N/A ASN 308.A N ILE 304.A O no hydrogen 3.046 N/A LEU 309.A N LEU 305.A O no hydrogen 2.874 N/A ASP 310.A N ARG 306.A O no hydrogen 2.846 N/A ASP 311.A N LYS 307.A O no hydrogen 2.903 N/A MET 312.A N ASN 308.A O no hydrogen 3.069 N/A MET 312.A N LEU 309.A O no hydrogen 3.043 N/A SER 313.A N ASP 310.A O no hydrogen 2.857 N/A SER 313.A OG MET 312.A O no hydrogen 2.738 N/A TYR 314.A N LEU 309.A O no hydrogen 2.850 N/A TYR 314.A OH GLU 133.A OE2 no hydrogen 2.821 N/A