Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dyd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 12.A N VAL 341.A O no hydrogen 3.373 N/A ASN 12.A ND2 GLU 343.A O no hydrogen 3.054 N/A ASN 14.A N ASN 12.A OD1 no hydrogen 3.032 N/A LYS 15.A N ASN 12.A O no hydrogen 3.192 N/A LYS 15.A NZ GLN 344.A OE1 no hydrogen 2.553 N/A ILE 18.A N.A SER 345.A O no hydrogen 2.839 N/A ILE 18.A N.B SER 345.A O no hydrogen 2.835 N/A SER 19.A OG SER 21.A OG.B no hydrogen 2.836 N/A LEU 20.A N HIS 347.A O no hydrogen 2.714 N/A SER 21.A N.A SER 19.A OG no hydrogen 3.416 N/A SER 21.A N.B SER 19.A OG no hydrogen 3.414 N/A SER 21.A OG.B SER 19.A OG no hydrogen 2.836 N/A SER 21.A OG.B HIS 347.A ND1 no hydrogen 2.806 N/A THR 26.A N ASP 24.A OD1 no hydrogen 2.912 N/A THR 26.A OG1 ASP 24.A OD1 no hydrogen 2.684 N/A THR 26.A OG1 ASP 24.A OD2 no hydrogen 3.318 N/A VAL 27.A N ASP 24.A O no hydrogen 3.479 N/A GLY 29.A N THR 26.A O no hydrogen 3.029 N/A ASN 30.A ND2 THR 365.A O no hydrogen 2.839 N/A THR 33.A OG1 TRP 226.A O no hydrogen 2.816 N/A GLU 36.A N ASP 34.A OD2 no hydrogen 3.059 N/A VAL 37.A N ASP 34.A O no hydrogen 3.044 N/A THR 38.A N ASP 34.A O no hydrogen 3.401 N/A GLN 39.A N PRO 35.A O no hydrogen 2.802 N/A GLN 39.A NE2 GLN 39.A O no hydrogen 3.432 N/A GLN 39.A NE2 ASP 43.A OD1 no hydrogen 2.649 N/A ALA 40.A N GLU 36.A O no hydrogen 2.961 N/A MET 41.A N VAL 37.A O no hydrogen 3.400 N/A LYS 42.A N THR 38.A O no hydrogen 3.098 N/A ASP 43.A N GLN 39.A O no hydrogen 2.735 N/A ALA 44.A N ALA 40.A O no hydrogen 3.087 N/A LEU 45.A N MET 41.A O no hydrogen 2.958 N/A ASP 46.A N LYS 42.A O no hydrogen 2.863 N/A SER 47.A N ASP 43.A O no hydrogen 3.037 N/A SER 47.A OG ALA 44.A O no hydrogen 2.657 N/A GLY 48.A N LEU 45.A O no hydrogen 3.323 N/A LYS 49.A N SER 47.A OG no hydrogen 3.206 N/A SER 56.A OG SER 257.A OG no hydrogen 2.817 N/A GLY 58.A N PRO 55.A O no hydrogen 2.774 N/A PHE 59.A N GLN 268.A OE1 no hydrogen 2.862 N/A SER 62.A OG GLN 268.A O no hydrogen 2.805 N/A ARG 63.A N PHE 59.A O no hydrogen 2.970 N/A ARG 63.A NE GLY 58.A O no hydrogen 3.071 N/A ARG 63.A NH2 ALA 79.A O no hydrogen 2.802 N/A GLU 64.A N LEU 60.A O no hydrogen 2.740 N/A GLU 65.A N SER 61.A O no hydrogen 3.069 N/A ILE 66.A N SER 62.A O no hydrogen 3.232 N/A ALA 67.A N ARG 63.A O no hydrogen 2.875 N/A SER 68.A N GLU 64.A O no hydrogen 2.800 N/A TYR 69.A N GLU 65.A O no hydrogen 2.835 N/A TYR 70.A N ILE 66.A O no hydrogen 3.086 N/A ALA 75.A N CYS 72.A O no hydrogen 2.916 N/A LEU 77.A N HIS 71.A ND1 no hydrogen 3.178 N/A GLU 78.A N ASP 81.A OD2 no hydrogen 2.802 N/A LYS 80.A NZ ASP 81.A OD1 no hydrogen 3.181 N/A ASP 81.A N GLU 78.A O no hydrogen 2.955 N/A VAL 82.A N ALA 79.A O no hydrogen 3.260 N/A ILE 83.A N ILE 236.A O no hydrogen 3.172 N/A LEU 84.A N ILE 57.A O no hydrogen 2.857 N/A THR 85.A N GLY 234.A O no hydrogen 2.741 N/A THR 85.A OG1 GLY 87.A O no hydrogen 2.874 N/A SER 86.A N GLN 90.A OE1 no hydrogen 2.714 N/A GLY 87.A N THR 85.A O no hydrogen 2.934 N/A CYS 88.A SG GLY 220.A O no hydrogen 3.527 N/A GLN 90.A N GLY 87.A O no hydrogen 3.178 N/A ALA 91.A N GLY 87.A O no hydrogen 3.387 N/A ILE 92.A N CYS 88.A O no hydrogen 2.905 N/A ASP 93.A N SER 89.A O no hydrogen 2.931 N/A LEU 94.A N GLN 90.A O no hydrogen 2.674 N/A CYS 95.A N ALA 91.A O no hydrogen 2.990 N/A CYS 95.A SG ALA 91.A O no hydrogen 3.150 N/A LEU 96.A N ILE 92.A O no hydrogen 3.068 N/A ALA 97.A N ASP 93.A O no hydrogen 2.877 N/A VAL 98.A N LEU 94.A O no hydrogen 3.013 N/A LEU 99.A N CYS 95.A O no hydrogen 3.165 N/A ASN 101.A N GLN 104.A OE1 no hydrogen 3.085 N/A GLN 104.A N ASN 101.A O no hydrogen 3.005 N/A ASN 105.A N LYS 152.A O no hydrogen 3.332 N/A ILE 106.A N GLU 126.A O no hydrogen 3.142 N/A LEU 107.A N CYS 155.A O no hydrogen 3.028 N/A VAL 108.A N LYS 128.A O no hydrogen 2.816 N/A ARG 110.A N TYR 130.A O no hydrogen 2.884 N/A ARG 110.A NE ASN 131.A OD1 no hydrogen 2.744 N/A ARG 110.A NH2 GLU 355.A O no hydrogen 2.987 N/A TYR 116.A OH ASP 191.A OD2 no hydrogen 2.659 N/A LYS 117.A N SER 114.A O no hydrogen 3.290 N/A LYS 117.A NZ GLU 355.A OE2 no hydrogen 2.759 N/A THR 118.A N SER 114.A O no hydrogen 3.244 N/A THR 118.A OG1 SER 114.A O no hydrogen 3.564 N/A LEU 119.A N LEU 115.A O no hydrogen 2.901 N/A ALA 120.A N TYR 116.A O no hydrogen 3.237 N/A GLU 121.A N LYS 117.A O no hydrogen 2.976 N/A SER 122.A N THR 118.A O no hydrogen 3.315 N/A SER 122.A OG THR 118.A O no hydrogen 2.795 N/A SER 122.A OG LEU 119.A O no hydrogen 2.659 N/A MET 123.A N LEU 119.A O no hydrogen 3.312 N/A MET 123.A N ALA 120.A O no hydrogen 3.247 N/A ILE 125.A N ALA 120.A O no hydrogen 2.694 N/A GLU 126.A N GLN 104.A O no hydrogen 3.131 N/A LYS 128.A N ILE 106.A O no hydrogen 2.945 N/A TYR 130.A N VAL 108.A O no hydrogen 2.899 N/A TYR 130.A OH ILE 157.A O no hydrogen 2.594 N/A ASN 131.A N GLN 144.A OE1 no hydrogen 2.957 N/A LEU 132.A N ARG 110.A O no hydrogen 2.943 N/A LEU 133.A N GLU 139.A O no hydrogen 2.750 N/A LYS 136.A N LEU 133.A O no hydrogen 3.091 N/A TRP 138.A N LEU 133.A O no hydrogen 2.707 N/A GLU 139.A N LYS 136.A O no hydrogen 2.911 N/A ILE 140.A N HIS 173.A NE2 no hydrogen 3.214 N/A ASP 141.A N ASN 131.A O no hydrogen 3.025 N/A GLN 144.A N ASP 141.A OD1 no hydrogen 3.092 N/A LEU 145.A N ASP 141.A O no hydrogen 2.973 N/A GLU 146.A N LEU 142.A O no hydrogen 3.099 N/A TYR 147.A N LYS 143.A O no hydrogen 3.225 N/A ILE 149.A N TYR 147.A O no hydrogen 2.712 N/A ASP 150.A N THR 153.A OG1 no hydrogen 2.720 N/A THR 153.A N ASP 150.A O no hydrogen 3.198 N/A THR 153.A OG1 ASN 105.A OD1 no hydrogen 2.756 N/A THR 153.A OG1 ASP 150.A O no hydrogen 3.295 N/A ALA 154.A N ASN 105.A O no hydrogen 2.981 N/A CYS 155.A SG LEU 156.A O no hydrogen 3.933 N/A CYS 155.A SG PRO 187.A O no hydrogen 3.732 N/A LEU 156.A N PRO 187.A O no hydrogen 3.049 N/A ILE 157.A N LEU 107.A O no hydrogen 2.946 N/A VAL 158.A N LEU 189.A O no hydrogen 3.106 N/A ASN 159.A ND2 ASP 191.A O no hydrogen 2.955 N/A ASN 160.A N ASP 191.A O no hydrogen 3.336 N/A SER 162.A N SER 167.A O no hydrogen 3.131 N/A ASN 163.A N ASN 159.A OD1 no hydrogen 3.088 N/A CYS 165.A N SER 162.A OG no hydrogen 3.301 N/A CYS 165.A SG PRO 111.A O no hydrogen 4.014 N/A GLY 166.A N SER 162.A O no hydrogen 2.787 N/A PHE 169.A N ASN 160.A OD1 no hydrogen 2.888 N/A HIS 173.A N SER 170.A OG no hydrogen 2.996 N/A LEU 174.A N SER 170.A O no hydrogen 2.944 N/A GLN 175.A N LYS 171.A O no hydrogen 2.995 N/A LYS 176.A N ARG 172.A O no hydrogen 2.939 N/A ILE 177.A N HIS 173.A O no hydrogen 2.849 N/A LEU 178.A N LEU 174.A O no hydrogen 2.898 N/A ALA 179.A N GLN 175.A O no hydrogen 2.809 N/A VAL 180.A N LYS 176.A O no hydrogen 3.275 N/A VAL 180.A N ILE 177.A O no hydrogen 3.209 N/A ALA 181.A N ILE 177.A O no hydrogen 3.363 N/A ALA 182.A N LEU 178.A O no hydrogen 3.018 N/A ARG 183.A N ALA 179.A O no hydrogen 3.515 N/A ARG 183.A NE GLU 146.A OE2 no hydrogen 3.072 N/A ARG 183.A NH1 GLU 146.A OE1 no hydrogen 2.775 N/A GLN 184.A N VAL 180.A O no hydrogen 3.040 N/A GLN 184.A NE2 GLU 146.A OE2 no hydrogen 2.841 N/A CYS 185.A N ALA 182.A O no hydrogen 3.137 N/A CYS 185.A SG ALA 182.A O no hydrogen 3.470 N/A VAL 186.A N ALA 181.A O no hydrogen 3.019 N/A ILE 188.A N PRO 215.A O no hydrogen 3.276 N/A LEU 189.A N LEU 156.A O no hydrogen 2.951 N/A ALA 190.A N LEU 217.A O no hydrogen 2.864 N/A ASP 191.A N VAL 158.A O no hydrogen 2.818 N/A GLU 192.A N CYS 219.A O no hydrogen 2.722 N/A ILE 193.A N ASP 191.A OD1 no hydrogen 3.236 N/A GLY 195.A N GLU 192.A O no hydrogen 3.130 N/A MET 197.A N TYR 194.A O no hydrogen 3.034 N/A PHE 199.A N SER 313.A O no hydrogen 2.804 N/A SER 200.A OG SER 313.A OG no hydrogen 2.876 N/A CYS 202.A SG VAL 168.A O no hydrogen 3.879 N/A CYS 202.A SG ASP 201.A O no hydrogen 3.331 N/A LEU 207.A N GLU 192.A OE2 no hydrogen 2.742 N/A THR 209.A N PRO 206.A O no hydrogen 2.963 N/A THR 209.A OG1 PRO 206.A O no hydrogen 2.645 N/A LEU 210.A N LEU 207.A O no hydrogen 3.442 N/A SER 211.A N ALA 208.A O no hydrogen 3.002 N/A SER 211.A OG VAL 214.A O no hydrogen 2.501 N/A VAL 214.A N SER 211.A OG no hydrogen 3.160 N/A ILE 216.A N HIS 239.A O no hydrogen 2.952 N/A LEU 217.A N ILE 188.A O no hydrogen 2.977 N/A SER 218.A N LEU 237.A O no hydrogen 2.855 N/A CYS 219.A N ALA 190.A O no hydrogen 2.747 N/A GLY 220.A N TRP 235.A O no hydrogen 3.084 N/A LEU 222.A N LEU 233.A O no hydrogen 3.247 N/A LYS 224.A NZ TYR 194.A OH no hydrogen 3.252 N/A ARG 225.A NH1 TYR 69.A OH no hydrogen 2.908 N/A TRP 226.A N LEU 222.A O no hydrogen 3.014 N/A LEU 227.A N LYS 224.A O no hydrogen 3.304 N/A TRP 231.A N VAL 228.A O no hydrogen 3.127 N/A ARG 232.A NH1 SER 86.A O no hydrogen 3.456 N/A ARG 232.A NH2 PRO 229.A O no hydrogen 2.797 N/A GLY 234.A N THR 85.A O no hydrogen 2.897 N/A TRP 235.A N GLY 220.A O no hydrogen 3.115 N/A ILE 236.A N ILE 83.A O no hydrogen 2.872 N/A LEU 237.A N SER 218.A O no hydrogen 2.746 N/A ILE 238.A N ASP 81.A O no hydrogen 2.965 N/A HIS 239.A N ILE 216.A O no hydrogen 2.760 N/A ARG 241.A NH1 GLU 74.A O no hydrogen 3.211 N/A ILE 244.A N ARG 241.A O no hydrogen 2.863 N/A PHE 245.A N ASP 240.A OD1 no hydrogen 3.023 N/A GLY 246.A N ASP 240.A OD2 no hydrogen 3.007 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.791 N/A ARG 250.A NH1 ASP 81.A OD1 no hydrogen 2.822 N/A ARG 250.A NH2 ASP 81.A OD1 no hydrogen 3.453 N/A ASP 251.A N ASN 247.A O no hydrogen 2.728 N/A GLY 252.A N GLU 248.A O no hydrogen 2.741 N/A LEU 253.A N ILE 249.A O no hydrogen 2.783 N/A VAL 254.A N ARG 250.A O no hydrogen 3.021 N/A LYS 255.A N ASP 251.A O no hydrogen 2.972 N/A LEU 256.A N GLY 252.A O no hydrogen 3.086 N/A SER 257.A N LEU 253.A O no hydrogen 2.970 N/A SER 257.A OG SER 56.A OG no hydrogen 2.817 N/A SER 257.A OG VAL 254.A O no hydrogen 2.660 N/A GLN 258.A N VAL 254.A O no hydrogen 3.288 N/A GLN 258.A N LYS 255.A O no hydrogen 3.050 N/A ARG 259.A N LEU 256.A O no hydrogen 3.169 N/A LEU 261.A N SER 257.A O no hydrogen 3.104 N/A THR 265.A OG1 TYR 50.A O no hydrogen 2.593 N/A VAL 267.A N CYS 264.A O no hydrogen 3.139 N/A GLN 268.A N CYS 264.A O no hydrogen 3.256 N/A GLN 268.A NE2 PRO 263.A O no hydrogen 2.860 N/A GLY 269.A N THR 265.A O no hydrogen 2.891 N/A ALA 270.A N ILE 266.A O no hydrogen 3.095 N/A LEU 271.A N GLN 268.A O no hydrogen 3.225 N/A LYS 272.A NZ SER 273.A OG no hydrogen 2.883 N/A ILE 274.A N ALA 270.A O no hydrogen 2.974 N/A LEU 275.A N LEU 271.A O no hydrogen 2.880 N/A CYS 276.A N LYS 272.A O no hydrogen 2.768 N/A ARG 277.A N SER 273.A O no hydrogen 2.682 N/A THR 278.A OG1 ILE 274.A O no hydrogen 2.548 N/A PHE 282.A N PRO 279.A O no hydrogen 3.288 N/A HIS 284.A N GLY 280.A O no hydrogen 3.009 N/A ASN 285.A N GLU 281.A O no hydrogen 2.739 N/A THR 286.A N PHE 282.A O no hydrogen 3.085 N/A THR 286.A OG1 PHE 282.A O no hydrogen 2.813 N/A LEU 287.A N TYR 283.A O no hydrogen 3.048 N/A SER 288.A N HIS 284.A O no hydrogen 2.845 N/A SER 288.A OG HIS 284.A O no hydrogen 2.978 N/A PHE 289.A N ASN 285.A O no hydrogen 3.018 N/A LEU 290.A N THR 286.A O no hydrogen 2.945 N/A LYS 291.A N LEU 287.A O no hydrogen 2.894 N/A LYS 291.A NZ ASP 295.A OD2 no hydrogen 2.700 N/A SER 292.A N SER 288.A O no hydrogen 3.051 N/A SER 292.A OG SER 288.A O no hydrogen 2.770 N/A ASN 293.A N PHE 289.A O no hydrogen 3.065 N/A ASN 293.A ND2 ILE 364.A O no hydrogen 2.896 N/A ASN 293.A ND2 VAL 366.A O no hydrogen 2.648 N/A ALA 294.A N LEU 290.A O no hydrogen 2.887 N/A ASP 295.A N LYS 291.A O no hydrogen 2.833 N/A LEU 296.A N SER 292.A O no hydrogen 2.989 N/A CYS 297.A N ASN 293.A O no hydrogen 2.858 N/A TYR 298.A N ALA 294.A O no hydrogen 2.728 N/A GLY 299.A N ASP 295.A O no hydrogen 2.720 N/A ALA 300.A N LEU 296.A O no hydrogen 2.975 N/A LEU 301.A N CYS 297.A O no hydrogen 3.146 N/A ALA 302.A N TYR 298.A O no hydrogen 3.052 N/A ALA 303.A N GLY 299.A O no hydrogen 3.331 N/A ILE 304.A N LEU 301.A O no hydrogen 3.293 N/A LEU 307.A N ILE 304.A O no hydrogen 3.311 N/A ARG 308.A N GLY 321.A O no hydrogen 2.857 N/A VAL 310.A N MET 319.A O no hydrogen 3.067 N/A SER 313.A N GLY 166.A O no hydrogen 2.854 N/A SER 313.A OG SER 200.A OG no hydrogen 2.876 N/A GLY 314.A N GLY 166.A O no hydrogen 2.917 N/A ALA 315.A N MET 197.A O no hydrogen 3.086 N/A TYR 317.A OH TYR 194.A OH no hydrogen 2.472 N/A LEU 318.A N VAL 362.A O no hydrogen 3.165 N/A VAL 320.A N ILE 360.A O no hydrogen 2.853 N/A GLY 321.A N ARG 308.A O no hydrogen 2.796 N/A ILE 322.A N ASN 358.A O no hydrogen 2.816 N/A GLU 323.A N GLY 306.A O no hydrogen 2.774 N/A GLU 325.A N GLU 325.A OE1 no hydrogen 2.636 N/A HIS 326.A N GLU 323.A O no hydrogen 2.861 N/A HIS 326.A ND1 HIS 387.A O no hydrogen 2.744 N/A PHE 327.A N MET 324.A O no hydrogen 3.213 N/A PHE 330.A N PHE 327.A O no hydrogen 2.990 N/A GLU 331.A N GLU 335.A OE1 no hydrogen 3.276 N/A PHE 336.A N ASN 332.A O no hydrogen 3.358 N/A THR 337.A N ASP 333.A O no hydrogen 2.947 N/A THR 337.A OG1 ASP 333.A O no hydrogen 2.990 N/A THR 337.A OG1 VAL 334.A O no hydrogen 3.065 N/A GLU 338.A N VAL 334.A O no hydrogen 3.033 N/A ARG 339.A N GLU 335.A O no hydrogen 2.811 N/A ARG 339.A NH1 GLU 343.A OE2 no hydrogen 2.757 N/A LEU 340.A N PHE 336.A O no hydrogen 2.985 N/A VAL 341.A N THR 337.A O no hydrogen 3.185 N/A ALA 342.A N GLU 338.A O no hydrogen 2.942 N/A GLU 343.A N ARG 339.A O no hydrogen 2.719 N/A GLN 344.A N LEU 340.A O no hydrogen 2.793 N/A SER 345.A N VAL 341.A O no hydrogen 2.881 N/A SER 345.A OG ASN 12.A O no hydrogen 2.913 N/A SER 345.A OG LYS 15.A O no hydrogen 2.906 N/A HIS 347.A N ILE 18.A O.A no hydrogen 2.947 N/A HIS 347.A N ILE 18.A O.B no hydrogen 2.925 N/A LEU 349.A N ARG 361.A O no hydrogen 3.185 N/A ALA 351.A N PHE 359.A O no hydrogen 2.848 N/A THR 352.A N ASP 333.A OD2 no hydrogen 2.922 N/A THR 352.A OG1 ASP 333.A OD1 no hydrogen 3.044 N/A THR 352.A OG1 ASP 333.A OD2 no hydrogen 3.031 N/A CYS 353.A N PRO 350.A O no hydrogen 3.144 N/A CYS 353.A SG PRO 350.A O no hydrogen 3.276 N/A PHE 354.A N ALA 351.A O no hydrogen 2.873 N/A GLU 355.A N THR 352.A O no hydrogen 2.934 N/A TYR 356.A N ALA 351.A O no hydrogen 2.996 N/A ASN 358.A N ASP 333.A OD1 no hydrogen 2.941 N/A ILE 360.A N VAL 320.A O no hydrogen 2.884 N/A ARG 361.A N LEU 349.A O no hydrogen 2.847 N/A ARG 361.A NH1 ASN 163.A OD1 no hydrogen 2.807 N/A ARG 361.A NH2 SER 21.A O.A no hydrogen 3.135 N/A ARG 361.A NH2 SER 21.A O.B no hydrogen 3.230 N/A VAL 362.A N LEU 318.A O no hydrogen 3.135 N/A VAL 363.A N LEU 20.A O no hydrogen 2.859 N/A ILE 364.A N MET 316.A O no hydrogen 2.965 N/A MET 371.A N PRO 367.A O no hydrogen 2.929 N/A LEU 372.A N GLU 368.A O no hydrogen 2.841 N/A GLU 373.A N VAL 369.A O no hydrogen 3.133 N/A ALA 374.A N MET 370.A O no hydrogen 3.010 N/A CYS 375.A N MET 371.A O no hydrogen 2.919 N/A CYS 375.A SG MET 371.A O no hydrogen 3.274 N/A SER 376.A N LEU 372.A O no hydrogen 3.066 N/A SER 376.A OG GLU 373.A O no hydrogen 3.046 N/A ARG 377.A N GLU 373.A O no hydrogen 3.018 N/A ARG 377.A NE GLU 373.A OE2 no hydrogen 2.908 N/A ARG 377.A NH1 THR 16.A O no hydrogen 3.058 N/A ARG 377.A NH2 THR 16.A O no hydrogen 2.839 N/A ARG 377.A NH2 GLN 344.A O no hydrogen 2.836 N/A ILE 378.A N ALA 374.A O no hydrogen 2.948 N/A GLN 379.A N CYS 375.A O no hydrogen 2.927 N/A GLU 380.A N SER 376.A O no hydrogen 3.142 N/A PHE 381.A N ARG 377.A O no hydrogen 2.995 N/A CYS 382.A N ILE 378.A O no hydrogen 2.893 N/A CYS 382.A SG ILE 378.A O no hydrogen 3.424 N/A GLU 383.A N GLN 379.A O no hydrogen 2.917 N/A GLN 384.A N GLU 380.A O no hydrogen 2.903 N/A HIS 385.A N CYS 382.A O no hydrogen 3.137 N/A HIS 385.A ND1 GLU 329.A OE1 no hydrogen 2.751 N/A HIS 385.A NE2 GLU 343.A OE1 no hydrogen 2.610 N/A HIS 385.A NE2 GLU 343.A OE2 no hydrogen 3.017 N/A HIS 387.A N HIS 326.A O no hydrogen 2.635 N/A