Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fhb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ LYS 131.A O no hydrogen 2.777 N/A LYS 3.A NZ VAL 133.A O no hydrogen 2.378 N/A ARG 4.A N GLU 134.A O no hydrogen 3.355 N/A GLN 6.A N VAL 136.A O no hydrogen 2.880 N/A GLN 6.A NE2 GLU 135.A OE1 no hydrogen 2.668 N/A SER 9.A N ASP 141.A OD2 no hydrogen 2.713 N/A SER 9.A OG ASP 141.A OD1 no hydrogen 2.610 N/A SER 9.A OG ASP 141.A OD2 no hydrogen 3.243 N/A THR 14.A N ASP 11.A OD1 no hydrogen 2.875 N/A THR 14.A OG1 ASP 11.A OD1 no hydrogen 3.151 N/A THR 14.A OG1 ASP 11.A OD2 no hydrogen 2.702 N/A GLN 15.A N ASP 11.A O no hydrogen 2.945 N/A GLN 15.A NE2 LEU 10.A O no hydrogen 2.934 N/A LYS 16.A N PRO 12.A O no hydrogen 3.105 N/A LEU 17.A N ALA 13.A O no hydrogen 3.079 N/A ILE 18.A N THR 14.A O no hydrogen 3.011 N/A THR 19.A N GLN 15.A O no hydrogen 2.863 N/A THR 19.A OG1 GLN 15.A O no hydrogen 2.926 N/A ASN 20.A N LYS 16.A O no hydrogen 2.767 N/A ASN 20.A ND2 TYR 263.A OH no hydrogen 2.677 N/A ILE 21.A N LEU 17.A O no hydrogen 2.900 N/A SER 23.A N ASN 20.A O no hydrogen 3.287 N/A MET 26.A N SER 23.A OG no hydrogen 3.121 N/A PHE 27.A N SER 23.A O no hydrogen 3.045 N/A LYS 28.A N LYS 24.A O no hydrogen 2.821 N/A ASN 29.A N GLU 25.A O no hydrogen 2.884 N/A THR 30.A N MET 26.A O no hydrogen 2.888 N/A THR 30.A OG1 MET 26.A O no hydrogen 2.967 N/A MET 31.A N PHE 27.A O no hydrogen 2.909 N/A ALA 32.A N LYS 28.A O no hydrogen 2.751 N/A LEU 33.A N ASN 29.A O no hydrogen 2.852 N/A MET 34.A N THR 30.A O no hydrogen 3.175 N/A MET 34.A N MET 31.A O no hydrogen 2.953 N/A ASP 35.A N ALA 32.A O no hydrogen 3.200 N/A LEU 36.A N MET 31.A O no hydrogen 2.960 N/A ASP 37.A N PRO 87.A O no hydrogen 2.950 N/A LYS 39.A N ASP 37.A OD1 no hydrogen 2.928 N/A LYS 40.A N ASP 37.A OD1 no hydrogen 2.927 N/A LYS 45.A N PRO 42.A O no hydrogen 2.799 N/A LEU 46.A N PRO 42.A O no hydrogen 3.143 N/A LYS 48.A NZ GLU 118.A OE1 no hydrogen 2.585 N/A LYS 48.A NZ GLU 118.A OE2 no hydrogen 3.209 N/A GLN 50.A N SER 47.A O no hydrogen 3.174 N/A GLN 50.A N SER 47.A OG no hydrogen 3.088 N/A GLN 50.A NE2 VAL 85.A O no hydrogen 2.933 N/A ILE 51.A N SER 47.A O no hydrogen 3.142 N/A ALA 52.A N LYS 48.A O no hydrogen 2.910 N/A ARG 53.A N GLN 49.A O no hydrogen 2.897 N/A GLY 54.A N GLN 50.A O no hydrogen 2.874 N/A PHE 55.A N ILE 51.A O no hydrogen 3.012 N/A GLU 56.A N ALA 52.A O no hydrogen 3.165 N/A ALA 57.A N ARG 53.A O no hydrogen 2.870 N/A LEU 58.A N GLY 54.A O no hydrogen 2.930 N/A GLU 59.A N PHE 55.A O no hydrogen 2.745 N/A ALA 60.A N GLU 56.A O no hydrogen 2.915 N/A LEU 61.A N ALA 57.A O no hydrogen 3.161 N/A GLU 62.A N LEU 58.A O no hydrogen 2.904 N/A GLU 63.A N GLU 59.A O no hydrogen 3.008 N/A ALA 64.A N ALA 60.A O no hydrogen 3.169 N/A LEU 65.A N LEU 61.A O no hydrogen 2.941 N/A LYS 66.A N GLU 62.A O no hydrogen 2.789 N/A ASP 70.A N PRO 68.A O no hydrogen 2.867 N/A GLY 72.A N ASP 70.A OD1 no hydrogen 2.910 N/A SER 74.A N GLU 77.A OE2 no hydrogen 3.292 N/A GLU 77.A N SER 74.A OG no hydrogen 2.907 N/A LEU 78.A N SER 74.A O no hydrogen 3.092 N/A SER 79.A N LEU 75.A O no hydrogen 2.773 N/A SER 79.A OG LEU 75.A O no hydrogen 2.896 N/A SER 80.A N GLU 76.A O no hydrogen 2.980 N/A HIS 81.A N GLU 77.A O no hydrogen 3.011 N/A PHE 82.A N LEU 78.A O no hydrogen 3.210 N/A TYR 83.A N SER 79.A O no hydrogen 2.858 N/A TYR 83.A OH PRO 96.A O no hydrogen 2.746 N/A THR 84.A N SER 80.A O no hydrogen 3.113 N/A THR 84.A N HIS 81.A O no hydrogen 3.032 N/A THR 84.A OG1 SER 80.A O no hydrogen 2.879 N/A VAL 85.A N HIS 81.A O no hydrogen 3.132 N/A ILE 86.A N PHE 82.A O no hydrogen 2.784 N/A HIS 88.A ND1 ILE 86.A O no hydrogen 2.689 N/A ASN 89.A N ASP 35.A O no hydrogen 2.758 N/A SER 93.A N PHE 90.A O no hydrogen 3.158 N/A SER 93.A OG PHE 90.A O no hydrogen 3.159 N/A ILE 98.A N SER 79.A OG no hydrogen 2.820 N/A SER 100.A OG GLU 102.A OE1 no hydrogen 3.529 N/A LEU 103.A N SER 100.A OG no hydrogen 3.138 N/A LEU 104.A N SER 100.A O no hydrogen 3.059 N/A GLN 105.A N PRO 101.A O no hydrogen 2.863 N/A GLN 105.A NE2 ASP 109.A OD1 no hydrogen 2.663 N/A GLN 105.A NE2 HIS 229.A O no hydrogen 3.118 N/A ALA 106.A N GLU 102.A O no hydrogen 2.947 N/A LYS 107.A N LEU 103.A O no hydrogen 3.026 N/A LYS 107.A N LEU 104.A O no hydrogen 3.099 N/A LYS 107.A NZ HIS 88.A NE2 no hydrogen 3.128 N/A LYS 108.A N LEU 104.A O no hydrogen 2.965 N/A LYS 108.A NZ GLU 62.A OE1 no hydrogen 2.806 N/A ASP 109.A N GLN 105.A O no hydrogen 2.839 N/A MET 110.A N ALA 106.A O no hydrogen 3.140 N/A LEU 111.A N LYS 107.A O no hydrogen 3.112 N/A LEU 112.A N LYS 108.A O no hydrogen 2.943 N/A VAL 113.A N ASP 109.A O no hydrogen 2.993 N/A LEU 114.A N MET 110.A O no hydrogen 2.867 N/A ALA 115.A N LEU 111.A O no hydrogen 2.959 N/A ASP 116.A N LEU 112.A O no hydrogen 3.290 N/A ILE 117.A N VAL 113.A O no hydrogen 2.861 N/A GLU 118.A N LEU 114.A O no hydrogen 2.798 N/A LEU 119.A N ALA 115.A O no hydrogen 2.840 N/A ALA 120.A N ASP 116.A O no hydrogen 3.155 N/A GLN 121.A N ILE 117.A O no hydrogen 3.053 N/A ALA 122.A N GLU 118.A O no hydrogen 2.819 N/A LEU 123.A N LEU 119.A O no hydrogen 2.913 N/A GLN 124.A N ALA 120.A O no hydrogen 3.170 N/A GLN 124.A N GLN 121.A O no hydrogen 3.146 N/A ALA 125.A N ALA 122.A O no hydrogen 3.222 N/A SER 127.A N GLU 130.A OE1 no hydrogen 3.343 N/A GLU 130.A N SER 127.A OG no hydrogen 3.010 N/A LYS 131.A N GLU 128.A O no hydrogen 3.105 N/A THR 132.A N GLU 128.A O no hydrogen 3.208 N/A THR 132.A N GLN 129.A O no hydrogen 2.752 N/A THR 132.A OG1 GLU 128.A O no hydrogen 2.819 N/A THR 132.A OG1 GLN 129.A O no hydrogen 2.479 N/A VAL 133.A N GLN 129.A O no hydrogen 3.034 N/A VAL 136.A N ARG 4.A O no hydrogen 2.791 N/A LEU 140.A N HIS 138.A ND1 no hydrogen 3.031 N/A ARG 142.A N HIS 138.A O no hydrogen 2.937 N/A ARG 142.A NE GLU 130.A OE1 no hydrogen 3.318 N/A ARG 142.A NE GLU 130.A OE2 no hydrogen 2.786 N/A ARG 142.A NH1 GLN 124.A O no hydrogen 3.205 N/A ARG 142.A NH1 ALA 125.A O no hydrogen 2.947 N/A ARG 142.A NH1 GLU 130.A OE1 no hydrogen 2.681 N/A ARG 142.A NH2 GLN 124.A O no hydrogen 2.835 N/A ASP 143.A N PRO 139.A O no hydrogen 3.079 N/A TYR 144.A N LEU 140.A O no hydrogen 2.920 N/A GLN 145.A N ASP 141.A O no hydrogen 2.839 N/A LEU 146.A N ARG 142.A O no hydrogen 2.831 N/A LEU 147.A N TYR 144.A O no hydrogen 3.149 N/A LYS 148.A N GLN 145.A O no hydrogen 3.048 N/A CYS 149.A SG GLN 150.A O no hydrogen 3.765 N/A GLN 150.A N ASN 187.A O no hydrogen 2.986 N/A LEU 151.A N TYR 144.A OH no hydrogen 3.139 N/A GLN 152.A N LYS 185.A O no hydrogen 2.905 N/A GLN 152.A NE2 GLN 150.A OE1 no hydrogen 2.705 N/A LEU 154.A N ILE 183.A O no hydrogen 2.884 N/A ALA 158.A N ASP 155.A O no hydrogen 2.917 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.977 N/A TYR 161.A N ALA 158.A O no hydrogen 2.958 N/A ILE 164.A N GLU 160.A O no hydrogen 3.060 N/A GLN 165.A N TYR 161.A O no hydrogen 3.050 N/A THR 166.A N LYS 162.A O no hydrogen 2.898 N/A THR 166.A OG1 LYS 162.A O no hydrogen 2.759 N/A TYR 167.A N VAL 163.A O no hydrogen 2.930 N/A TYR 167.A OH LEU 206.A O no hydrogen 2.742 N/A LEU 168.A N ILE 164.A O no hydrogen 2.842 N/A GLU 169.A N GLN 165.A O no hydrogen 2.963 N/A GLN 170.A N THR 166.A O no hydrogen 2.866 N/A THR 171.A N TYR 167.A O no hydrogen 3.237 N/A THR 171.A OG1 TYR 167.A O no hydrogen 2.787 N/A GLY 172.A N LEU 168.A O no hydrogen 2.837 N/A SER 173.A OG ARG 176.A O no hydrogen 2.895 N/A CYS 177.A N HIS 175.A O no hydrogen 2.779 N/A CYS 177.A SG PRO 178.A O no hydrogen 3.590 N/A THR 179.A N HIS 357.A O no hydrogen 2.843 N/A GLN 181.A N GLU 355.A O no hydrogen 2.889 N/A HIS 182.A N GLU 355.A O no hydrogen 3.443 N/A TRP 184.A N LEU 353.A O no hydrogen 2.688 N/A TRP 184.A NE1 THR 14.A OG1 no hydrogen 3.049 N/A LYS 185.A N GLN 152.A O no hydrogen 2.729 N/A VAL 186.A N ARG 351.A O no hydrogen 2.831 N/A ASN 187.A N GLN 150.A O no hydrogen 2.912 N/A PHE 195.A N GLU 191.A O no hydrogen 3.193 N/A GLN 196.A N GLU 192.A O no hydrogen 3.010 N/A GLN 196.A NE2 GLU 192.A O no hydrogen 2.622 N/A ALA 197.A N ARG 194.A O no hydrogen 3.113 N/A HIS 198.A N PHE 195.A O no hydrogen 3.065 N/A HIS 198.A NE2 SER 346.A OG no hydrogen 2.558 N/A LEU 201.A N HIS 198.A O no hydrogen 3.164 N/A ASN 203.A ND2 GLY 272.A O no hydrogen 2.619 N/A ASN 203.A ND2 GLU 274.A OE2 no hydrogen 3.054 N/A ARG 204.A NH1 GLU 268.A OE2 no hydrogen 2.834 N/A ARG 204.A NH2 LEU 201.A O no hydrogen 3.011 N/A LYS 205.A N VAL 269.A O no hydrogen 2.959 N/A LYS 205.A NZ TYR 340.A OH no hydrogen 3.258 N/A LEU 206.A N VAL 318.A O no hydrogen 2.913 N/A LEU 207.A N GLY 267.A O no hydrogen 2.871 N/A TRP 208.A N ALA 241.A O no hydrogen 2.773 N/A HIS 209.A N PHE 265.A O no hydrogen 2.983 N/A HIS 209.A ND1 TYR 239.A O no hydrogen 2.660 N/A THR 211.A OG1 ASN 212.A O no hydrogen 3.447 N/A MET 213.A N ILE 252.A O no hydrogen 3.123 N/A VAL 215.A N ASN 212.A O no hydrogen 3.086 N/A VAL 216.A N MET 213.A O no hydrogen 3.437 N/A ILE 219.A N VAL 215.A O no hydrogen 2.956 N/A LEU 220.A N VAL 216.A O no hydrogen 3.025 N/A THR 221.A N ALA 217.A O no hydrogen 2.986 N/A THR 221.A N ALA 218.A O no hydrogen 3.138 N/A THR 221.A OG1 ALA 217.A O no hydrogen 2.757 N/A SER 222.A N ALA 218.A O no hydrogen 2.887 N/A GLY 223.A N ILE 219.A O no hydrogen 2.746 N/A ARG 225.A NE GLY 223.A O no hydrogen 2.928 N/A ARG 225.A NH1 ASP 116.A OD1 no hydrogen 2.834 N/A ARG 225.A NH2 ASP 116.A OD2 no hydrogen 3.279 N/A ILE 226.A N GLU 345.A OE2 no hydrogen 2.828 N/A HIS 229.A NE2 GLU 59.A OE2 no hydrogen 2.801 N/A SER 230.A N MET 227.A O no hydrogen 3.298 N/A SER 230.A OG MET 227.A O no hydrogen 2.863 N/A ARG 233.A NE ASP 280.A OD2 no hydrogen 2.786 N/A ARG 233.A NH2 ASP 280.A OD1 no hydrogen 2.920 N/A ARG 233.A NH2 ASP 280.A OD2 no hydrogen 3.416 N/A ARG 233.A NH2 THR 334.A O no hydrogen 2.618 N/A VAL 234.A N TYR 239.A OH no hydrogen 2.878 N/A GLY 235.A N GLY 232.A O no hydrogen 2.942 N/A LYS 236.A N LEU 284.A O no hydrogen 2.735 N/A GLY 237.A N GLY 235.A O no hydrogen 3.228 N/A ILE 238.A N ILE 342.A O no hydrogen 3.046 N/A TYR 239.A OH GLY 235.A O no hydrogen 2.785 N/A PHE 240.A N TYR 340.A O no hydrogen 2.944 N/A ALA 241.A N TRP 208.A O no hydrogen 2.962 N/A SER 242.A OG GLU 301.A OE2 no hydrogen 2.674 N/A ASN 244.A N THR 171.A OG1 no hydrogen 3.122 N/A SER 245.A N THR 171.A O no hydrogen 3.178 N/A SER 245.A OG THR 171.A O no hydrogen 3.424 N/A LYS 246.A N GLU 243.A O no hydrogen 2.836 N/A LYS 246.A NZ GLU 339.A OE2 no hydrogen 3.389 N/A SER 247.A N GLU 243.A O no hydrogen 3.317 N/A ALA 248.A N ASN 244.A O no hydrogen 2.706 N/A GLY 249.A N LYS 246.A O no hydrogen 3.249 N/A TYR 250.A N SER 247.A O no hydrogen 2.971 N/A VAL 251.A N ALA 248.A O no hydrogen 3.140 N/A MET 254.A N VAL 261.A O no hydrogen 3.106 N/A CYS 256.A N HIS 259.A O no hydrogen 2.502 N/A HIS 259.A N CYS 256.A O no hydrogen 2.723 N/A VAL 261.A N MET 254.A O no hydrogen 2.873 N/A GLY 262.A N VAL 356.A O no hydrogen 3.016 N/A TYR 263.A OH GLU 355.A OE1 no hydrogen 2.710 N/A MET 264.A N LEU 354.A O no hydrogen 2.954 N/A PHE 265.A N HIS 209.A O no hydrogen 3.025 N/A LEU 266.A N TYR 352.A O no hydrogen 2.850 N/A GLY 267.A N LEU 207.A O no hydrogen 2.958 N/A GLU 268.A N ARG 349.A O no hydrogen 2.843 N/A VAL 269.A N LYS 205.A O no hydrogen 2.820 N/A ALA 270.A N GLN 347.A O no hydrogen 2.966 N/A LEU 271.A N ASN 203.A O no hydrogen 2.821 N/A GLY 272.A N GLY 202.A O no hydrogen 3.140 N/A ARG 273.A N ASP 292.A OD2 no hydrogen 2.855 N/A ARG 273.A NE GLY 290.A O no hydrogen 3.484 N/A HIS 275.A N SER 293.A O no hydrogen 2.939 N/A HIS 276.A NE2 GLU 274.A OE1 no hydrogen 2.539 N/A ILE 277.A N ILE 295.A O no hydrogen 3.099 N/A THR 279.A OG1 ASN 278.A OD1 no hydrogen 2.980 N/A ASN 281.A N ARG 233.A O no hydrogen 2.875 N/A ASN 281.A ND2 SER 283.A OG no hydrogen 2.712 N/A LEU 284.A N ASN 281.A O no hydrogen 3.359 N/A LYS 285.A NZ SER 283.A O no hydrogen 3.555 N/A SER 286.A OG PRO 287.A O no hydrogen 3.138 N/A PHE 291.A N PRO 288.A O no hydrogen 2.736 N/A ASP 292.A N ARG 273.A O no hydrogen 3.001 N/A SER 293.A OG LEU 271.A O no hydrogen 2.631 N/A VAL 294.A N LEU 341.A O no hydrogen 3.026 N/A ILE 295.A N HIS 275.A O no hydrogen 2.872 N/A ALA 296.A N GLU 339.A O no hydrogen 2.900 N/A ARG 297.A N ILE 277.A O no hydrogen 3.098 N/A GLY 298.A N SER 338.A OG no hydrogen 2.697 N/A HIS 299.A N PHE 335.A O no hydrogen 2.979 N/A HIS 299.A NE2 SER 333.A O no hydrogen 2.859 N/A THR 300.A OG1 GLU 243.A OE2 no hydrogen 2.857 N/A THR 300.A OG1 SER 336.A O no hydrogen 3.547 N/A GLU 301.A N VAL 325.A O no hydrogen 3.006 N/A ASP 303.A N GLN 323.A O no hydrogen 3.030 N/A THR 305.A N ASP 303.A OD1 no hydrogen 2.854 N/A THR 305.A OG1 ASP 303.A OD1 no hydrogen 2.644 N/A THR 305.A OG1 ASP 303.A OD2 no hydrogen 2.965 N/A GLN 306.A N ASP 303.A O no hydrogen 2.793 N/A ASP 307.A N PRO 304.A O no hydrogen 2.965 N/A THR 308.A N VAL 319.A O no hydrogen 2.889 N/A THR 308.A OG1 GLU 309.A O no hydrogen 3.538 N/A LEU 310.A N VAL 317.A O no hydrogen 2.782 N/A LEU 312.A N GLN 315.A O no hydrogen 2.924 N/A GLN 315.A N LEU 312.A O no hydrogen 3.100 N/A GLN 315.A NE2 SER 199.A O no hydrogen 3.288 N/A GLN 316.A NE2 GLU 309.A OE1 no hydrogen 2.918 N/A VAL 317.A N LEU 310.A O no hydrogen 2.863 N/A VAL 318.A N ARG 204.A O no hydrogen 2.955 N/A VAL 319.A N THR 308.A O no hydrogen 2.760 N/A GLN 321.A NE2 VAL 163.A O no hydrogen 2.702 N/A GLN 321.A NE2 PRO 320.A O no hydrogen 3.085 N/A GLN 323.A NE2 GLN 170.A OE1 no hydrogen 3.015 N/A VAL 325.A N GLU 301.A O no hydrogen 2.828 N/A CYS 327.A N HIS 299.A O no hydrogen 2.903 N/A PHE 330.A N CYS 327.A O no hydrogen 2.757 N/A SER 331.A N PRO 328.A O no hydrogen 3.246 N/A SER 331.A OG PRO 328.A O no hydrogen 3.120 N/A SER 333.A N PHE 330.A O no hydrogen 2.927 N/A SER 333.A OG ASN 278.A O no hydrogen 3.492 N/A SER 333.A OG ARG 297.A O no hydrogen 2.783 N/A SER 333.A OG PHE 335.A O no hydrogen 3.535 N/A THR 334.A N ASN 278.A O no hydrogen 2.937 N/A THR 334.A OG1 ASN 278.A O no hydrogen 3.280 N/A THR 334.A OG1 ASP 280.A OD1 no hydrogen 2.825 N/A PHE 335.A N SER 333.A OG no hydrogen 2.847 N/A GLN 337.A NE2 GLU 243.A OE1 no hydrogen 2.961 N/A GLN 337.A NE2 SER 245.A OG no hydrogen 2.891 N/A SER 338.A OG GLU 301.A OE1 no hydrogen 2.562 N/A GLU 339.A N ALA 296.A O no hydrogen 2.894 N/A TYR 340.A N PHE 240.A O no hydrogen 2.697 N/A TYR 340.A OH GLU 301.A OE2 no hydrogen 2.511 N/A LEU 341.A N VAL 294.A O no hydrogen 2.842 N/A TYR 343.A OH VAL 234.A O no hydrogen 2.691 N/A GLN 344.A NE2 GLN 347.A OE1 no hydrogen 3.090 N/A SER 346.A OG HIS 198.A NE2 no hydrogen 2.558 N/A GLN 347.A N GLN 344.A O no hydrogen 3.056 N/A GLN 347.A NE2 ALA 270.A O no hydrogen 2.892 N/A GLN 347.A NE2 ASP 292.A O no hydrogen 3.042 N/A CYS 348.A N.A GLU 345.A O no hydrogen 3.422 N/A CYS 348.A N.B GLU 345.A O no hydrogen 3.460 N/A CYS 348.A SG.A GLU 268.A O no hydrogen 3.916 N/A CYS 348.A SG.B GLU 345.A O no hydrogen 3.636 N/A ARG 349.A N GLU 268.A O no hydrogen 2.958 N/A LEU 350.A N GLU 191.A OE1 no hydrogen 2.960 N/A ARG 351.A N LEU 266.A O no hydrogen 3.142 N/A ARG 351.A NE GLU 268.A OE1 no hydrogen 2.831 N/A ARG 351.A NH1 ASP 313.A OD2 no hydrogen 2.905 N/A ARG 351.A NH2 GLU 268.A OE1 no hydrogen 2.852 N/A ARG 351.A NH2 ASP 313.A OD2 no hydrogen 2.904 N/A TYR 352.A N LEU 266.A O no hydrogen 3.192 N/A TYR 352.A OH GLU 160.A OE2 no hydrogen 2.485 N/A LEU 353.A N TRP 184.A O no hydrogen 2.827 N/A LEU 354.A N MET 264.A O no hydrogen 2.757 N/A GLU 355.A N HIS 182.A O no hydrogen 2.862 N/A VAL 356.A N GLY 262.A O no hydrogen 2.852 N/A HIS 357.A N THR 179.A O no hydrogen 2.673 N/A