Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8fl0_SR.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A NZ SER 158.A OG no hydrogen 3.330 N/A LYS 7.A N ASN 4.A OD1 no hydrogen 2.888 N/A THR 9.A OG1 GLN 63.A OE1 no hydrogen 2.783 N/A VAL 11.A N GLU 151.A OE1 no hydrogen 3.219 N/A LYS 15.A NZ ASP 19.A OD2 no hydrogen 3.074 N/A ASP 16.A N SER 13.A OG no hydrogen 3.215 N/A PHE 17.A N SER 13.A O no hydrogen 2.578 N/A ILE 18.A N ALA 14.A O no hydrogen 3.106 N/A ASP 19.A N LYS 15.A O no hydrogen 3.092 N/A LEU 20.A N ASP 16.A O no hydrogen 2.689 N/A THR 21.A N PHE 17.A O no hydrogen 3.302 N/A THR 21.A OG1 PHE 17.A O no hydrogen 2.914 N/A LEU 22.A N ILE 18.A O no hydrogen 3.061 N/A SER 23.A N ASP 19.A O no hydrogen 3.208 N/A SER 23.A OG ASP 19.A O no hydrogen 3.108 N/A THR 25.A N THR 21.A O no hydrogen 3.270 N/A THR 25.A OG1 THR 53.A OG1 no hydrogen 2.877 N/A GLN 26.A N LEU 22.A O no hydrogen 2.992 N/A ARG 27.A N SER 23.A O no hydrogen 2.890 N/A LYS 28.A N LYS 24.A O no hydrogen 2.797 N/A THR 29.A OG1 THR 25.A O no hydrogen 2.487 N/A HIS 34.A ND1 TYR 37.A OH no hydrogen 2.884 N/A TYR 37.A N HIS 34.A O no hydrogen 3.218 N/A ILE 42.A N GLN 38.A O no hydrogen 3.102 N/A ARG 43.A N ILE 39.A O no hydrogen 2.842 N/A ARG 43.A NE GLY 119.A O no hydrogen 2.831 N/A ARG 43.A NH2 GLY 119.A O no hydrogen 2.662 N/A HIS 44.A N HIS 40.A O no hydrogen 3.123 N/A PHE 45.A N ARG 41.A O no hydrogen 3.141 N/A TYR 46.A N ILE 42.A O no hydrogen 3.326 N/A MET 47.A N ARG 43.A O no hydrogen 2.920 N/A ARG 48.A N HIS 44.A O no hydrogen 3.139 N/A LYS 49.A NZ THR 29.A OG1 no hydrogen 2.876 N/A LYS 49.A NZ PRO 30.A O no hydrogen 2.850 N/A VAL 50.A N TYR 46.A O no hydrogen 3.331 N/A LYS 51.A N MET 47.A O no hydrogen 2.939 N/A PHE 52.A N ARG 48.A O no hydrogen 2.792 N/A THR 53.A N LYS 49.A O no hydrogen 3.009 N/A THR 53.A OG1 THR 25.A OG1 no hydrogen 2.877 N/A THR 53.A OG1 LYS 49.A O no hydrogen 2.527 N/A GLN 54.A N VAL 50.A O no hydrogen 3.012 N/A GLN 55.A N LYS 51.A O no hydrogen 2.913 N/A ASN 56.A N PHE 52.A O no hydrogen 3.157 N/A TYR 57.A N THR 53.A O no hydrogen 3.086 N/A HIS 58.A N GLN 54.A O no hydrogen 2.859 N/A ASP 59.A N GLN 55.A O no hydrogen 2.980 N/A ARG 60.A N ASN 56.A O no hydrogen 3.293 N/A ARG 60.A NH2 VAL 10.A O no hydrogen 3.150 N/A LEU 61.A N TYR 57.A O no hydrogen 3.045 N/A SER 62.A N HIS 58.A O no hydrogen 2.937 N/A SER 62.A OG HIS 58.A O no hydrogen 2.879 N/A GLN 63.A N ASP 59.A O no hydrogen 2.963 N/A ILE 64.A N ARG 60.A O no hydrogen 3.150 N/A LEU 65.A N LEU 61.A O no hydrogen 3.191 N/A THR 66.A N SER 62.A O no hydrogen 2.965 N/A THR 66.A OG1 SER 62.A O no hydrogen 3.219 N/A THR 66.A OG1 GLN 63.A O no hydrogen 3.048 N/A ASP 67.A N GLN 63.A O no hydrogen 3.178 N/A PHE 68.A N ILE 64.A O no hydrogen 3.333 N/A LYS 70.A NZ LEU 65.A O no hydrogen 3.162 N/A LYS 70.A NZ PHE 68.A O no hydrogen 3.560 N/A ASP 73.A N LYS 70.A O no hydrogen 3.054 N/A ILE 74.A N LYS 70.A O no hydrogen 3.081 N/A HIS 75.A N TYR 3.A OH no hydrogen 2.728 N/A PHE 77.A N HIS 75.A ND1 no hydrogen 3.279 N/A TYR 78.A OH PRO 161.A O no hydrogen 3.206 N/A TYR 78.A OH ILE 163.A O no hydrogen 3.209 N/A ALA 79.A N HIS 75.A O no hydrogen 2.941 N/A ASP 80.A N PRO 76.A O no hydrogen 2.778 N/A LEU 81.A N PHE 77.A O no hydrogen 2.918 N/A MET 82.A N TYR 78.A O no hydrogen 2.692 N/A ASN 83.A N ALA 79.A O no hydrogen 3.176 N/A ILE 84.A N ASP 80.A O no hydrogen 3.297 N/A LEU 85.A N LEU 81.A O no hydrogen 3.136 N/A TYR 86.A N MET 82.A O no hydrogen 3.025 N/A LYS 88.A N ASN 83.A OD1 no hydrogen 3.048 N/A TYR 91.A N ASP 87.A O no hydrogen 2.861 N/A TYR 91.A OH PRO 69.A O no hydrogen 2.912 N/A LYS 92.A N LYS 88.A O no hydrogen 3.013 N/A LEU 93.A N ASP 89.A O no hydrogen 2.879 N/A ALA 94.A N HIS 90.A O no hydrogen 2.862 N/A LEU 95.A N TYR 91.A O no hydrogen 3.286 N/A GLY 96.A N LYS 92.A O no hydrogen 2.791 N/A GLN 97.A N LEU 93.A O no hydrogen 2.933 N/A ILE 98.A N ALA 94.A O no hydrogen 3.240 N/A ASN 99.A N LEU 95.A O no hydrogen 2.881 N/A ILE 100.A N GLY 96.A O no hydrogen 3.098 N/A ALA 101.A N GLN 97.A O no hydrogen 3.221 N/A LYS 102.A N ILE 98.A O no hydrogen 3.139 N/A ASN 103.A N ASN 99.A O no hydrogen 3.249 N/A LEU 104.A N ILE 100.A O no hydrogen 2.797 N/A VAL 105.A N ALA 101.A O no hydrogen 3.078 N/A ASP 106.A N LYS 102.A O no hydrogen 3.467 N/A ASN 107.A N ASN 103.A O no hydrogen 3.426 N/A VAL 108.A N LEU 104.A O no hydrogen 3.202 N/A ALA 109.A N VAL 105.A O no hydrogen 3.244 N/A LYS 110.A N ASP 106.A O no hydrogen 3.078 N/A ASP 111.A N ASN 107.A O no hydrogen 3.105 N/A TYR 112.A N VAL 108.A O no hydrogen 3.040 N/A VAL 113.A N ALA 109.A O no hydrogen 2.862 N/A ARG 114.A N LYS 110.A O no hydrogen 3.217 N/A ARG 114.A NH1 ASP 111.A OD1 no hydrogen 3.552 N/A LEU 115.A N ASP 111.A O no hydrogen 3.166 N/A MET 116.A N TYR 112.A O no hydrogen 3.013 N/A TYR 118.A N LEU 115.A O no hydrogen 3.274 N/A GLY 119.A N MET 116.A O no hydrogen 2.903 N/A SER 121.A OG ASP 120.A OD2 no hydrogen 3.346 N/A CYS 125.A N SER 121.A O no hydrogen 3.230 N/A CYS 125.A SG SER 121.A O no hydrogen 3.658 N/A LYS 126.A N LEU 122.A O no hydrogen 2.836 N/A GLN 127.A N TYR 123.A O no hydrogen 3.012 N/A LEU 128.A N ARG 124.A O no hydrogen 3.077 N/A LYS 129.A N CYS 125.A O no hydrogen 2.856 N/A ARG 130.A N LYS 126.A O no hydrogen 2.942 N/A ALA 131.A N GLN 127.A O no hydrogen 2.760 N/A ALA 132.A N LEU 128.A O no hydrogen 2.894 N/A LEU 133.A N LYS 129.A O no hydrogen 3.044 N/A GLY 134.A N ARG 130.A O no hydrogen 2.881 N/A ARG 135.A N ALA 131.A O no hydrogen 3.054 N/A ARG 135.A NH2 TYR 112.A OH no hydrogen 2.892 N/A MET 136.A N ALA 132.A O no hydrogen 3.058 N/A CYS 137.A N LEU 133.A O no hydrogen 3.089 N/A CYS 137.A SG TYR 57.A OH no hydrogen 3.512 N/A CYS 137.A SG LEU 133.A O no hydrogen 3.326 N/A THR 138.A N GLY 134.A O no hydrogen 3.164 N/A THR 138.A OG1 GLY 134.A O no hydrogen 2.919 N/A VAL 139.A N ARG 135.A O no hydrogen 3.306 N/A ILE 140.A N MET 136.A O no hydrogen 3.265 N/A LYS 141.A N CYS 137.A O no hydrogen 3.094 N/A GLN 143.A N ILE 140.A O no hydrogen 2.654 N/A SER 146.A OG GLN 143.A O no hydrogen 3.056 N/A LEU 147.A N GLN 143.A O no hydrogen 3.088 N/A GLU 148.A N LYS 144.A O no hydrogen 3.084 N/A TYR 149.A N GLN 145.A O no hydrogen 2.945 N/A TYR 149.A OH TYR 86.A O no hydrogen 2.900 N/A LEU 150.A N SER 146.A O no hydrogen 3.035 N/A GLU 151.A N LEU 147.A O no hydrogen 3.141 N/A GLN 152.A N GLU 148.A O no hydrogen 3.273 N/A VAL 153.A N TYR 149.A O no hydrogen 3.065 N/A ARG 154.A N LEU 150.A O no hydrogen 2.773 N/A ARG 154.A NE GLU 151.A OE1 no hydrogen 2.933 N/A ARG 154.A NH2 GLU 151.A OE1 no hydrogen 3.481 N/A ARG 154.A NH2 GLU 151.A OE2 no hydrogen 3.336 N/A GLN 155.A N GLU 151.A O no hydrogen 3.401 N/A HIS 156.A N GLN 152.A O no hydrogen 3.302 N/A LEU 157.A N VAL 153.A O no hydrogen 2.717 N/A SER 158.A N ARG 154.A O no hydrogen 2.804 N/A LEU 160.A N LEU 157.A O no hydrogen 3.270 N/A ILE 163.A N TYR 78.A OH no hydrogen 2.724 N/A ARG 168.A N THR 167.A OG1 no hydrogen 2.697 N/A ARG 168.A NH1 ARG 215.A O no hydrogen 3.067 N/A THR 169.A OG1 GLN 217.A O no hydrogen 2.549 N/A LEU 170.A N GLN 217.A O no hydrogen 3.168 N/A LEU 171.A N ALA 249.A O no hydrogen 3.411 N/A TYR 175.A OH GLU 266.A O no hydrogen 2.447 N/A LYS 180.A NZ TYR 175.A O no hydrogen 3.072 N/A SER 181.A OG THR 201.A OG1 no hydrogen 2.753 N/A SER 181.A OG ASP 220.A OD2 no hydrogen 2.991 N/A SER 182.A N GLY 179.A O no hydrogen 3.257 N/A SER 182.A OG THR 321.A OG1 no hydrogen 3.115 N/A PHE 183.A N GLY 179.A O no hydrogen 3.138 N/A ILE 184.A N LYS 180.A O no hydrogen 3.357 N/A ASN 185.A ND2 VAL 192.A O no hydrogen 3.126 N/A LYS 186.A N PHE 183.A O no hydrogen 3.067 N/A LYS 186.A NZ THR 321.A O no hydrogen 3.048 N/A LYS 186.A NZ GLU 324.A OE2 no hydrogen 2.735 N/A THR 188.A OG1 ILE 184.A O no hydrogen 2.338 N/A VAL 192.A N ASN 185.A OD1 no hydrogen 3.049 N/A GLN 195.A NE2 ASP 193.A OD1 no hydrogen 3.270 N/A THR 200.A OG1 TYR 197.A O no hydrogen 2.712 N/A THR 201.A OG1 SER 181.A OG no hydrogen 2.753 N/A LYS 202.A NZ PHE 199.A O no hydrogen 3.385 N/A PHE 205.A N ASP 220.A O no hydrogen 2.985 N/A GLY 207.A N VAL 218.A O no hydrogen 2.662 N/A MET 209.A N TRP 216.A O no hydrogen 2.937 N/A TYR 211.A N LEU 214.A O no hydrogen 2.876 N/A LYS 212.A NZ TYR 211.A OH no hydrogen 2.956 N/A LEU 214.A N TYR 211.A O no hydrogen 2.943 N/A ARG 215.A NE ASP 210.A OD1 no hydrogen 3.374 N/A TRP 216.A N MET 209.A O no hydrogen 2.946 N/A TRP 216.A NE1 TYR 211.A O no hydrogen 3.086 N/A GLN 217.A N ARG 168.A O no hydrogen 3.186 N/A GLN 217.A NE2 ASP 164.A O no hydrogen 2.852 N/A VAL 218.A N GLY 207.A O no hydrogen 2.484 N/A VAL 219.A N LEU 170.A O no hydrogen 2.951 N/A ASP 220.A N PHE 205.A O no hydrogen 2.815 N/A ILE 224.A N GLY 174.A O no hydrogen 3.239 N/A LEU 225.A N GLU 236.A OE2 no hydrogen 2.885 N/A ASP 231.A N PRO 228.A O no hydrogen 3.153 N/A ARG 232.A N LEU 229.A O no hydrogen 3.387 N/A GLU 236.A N ASN 233.A OD1 no hydrogen 2.961 N/A MET 237.A N ASN 233.A O no hydrogen 2.877 N/A GLN 238.A N THR 234.A O no hydrogen 3.214 N/A GLN 238.A N ILE 235.A O no hydrogen 3.290 N/A ALA 239.A N GLU 236.A O no hydrogen 3.186 N/A THR 241.A N MET 237.A O no hydrogen 3.027 N/A THR 241.A OG1 MET 237.A O no hydrogen 3.451 N/A ALA 242.A N ALA 239.A O no hydrogen 3.037 N/A LEU 243.A N ALA 239.A O no hydrogen 3.402 N/A ALA 244.A N ILE 240.A O no hydrogen 3.289 N/A HIS 245.A N THR 241.A O no hydrogen 3.406 N/A HIS 245.A ND1 THR 241.A O no hydrogen 3.074 N/A LEU 246.A N ALA 242.A O no hydrogen 3.196 N/A ALA 249.A N THR 169.A O no hydrogen 3.207 N/A LEU 251.A N LEU 171.A O no hydrogen 2.569 N/A TYR 252.A OH GLN 267.A O no hydrogen 2.865 N/A MET 254.A N VAL 286.A O no hydrogen 2.751 N/A CYS 260.A N ASP 255.A OD2 no hydrogen 2.473 N/A CYS 260.A SG PRO 176.A O no hydrogen 3.185 N/A GLU 266.A N GLU 266.A OE1 no hydrogen 2.685 N/A GLN 267.A N GLY 263.A O no hydrogen 2.781 N/A LEU 268.A N LEU 264.A O no hydrogen 2.799 N/A GLU 269.A N ARG 265.A O no hydrogen 3.065 N/A LEU 270.A N GLU 266.A O no hydrogen 3.361 N/A PHE 271.A N LEU 268.A O no hydrogen 2.970 N/A GLN 272.A N GLN 272.A OE1 no hydrogen 2.721 N/A ILE 274.A N LEU 270.A O no hydrogen 2.864 N/A ARG 275.A N GLN 272.A O no hydrogen 3.036 N/A LEU 277.A N ILE 274.A O no hydrogen 3.053 N/A LYS 281.A NZ LEU 243.A O no hydrogen 3.194 N/A ILE 284.A N VAL 250.A O no hydrogen 3.099 N/A VAL 285.A N PRO 315.A O no hydrogen 3.257 N/A VAL 286.A N TYR 252.A O no hydrogen 2.521 N/A ALA 287.A N ILE 317.A O no hydrogen 2.971 N/A ASN 288.A N MET 254.A O no hydrogen 2.676 N/A ASN 288.A ND2 VAL 178.A O no hydrogen 2.753 N/A LYS 289.A N ASN 288.A OD1 no hydrogen 2.595 N/A LYS 289.A NZ ASN 177.A O no hydrogen 3.517 N/A CYS 290.A N THR 319.A O no hydrogen 2.955 N/A CYS 290.A SG GLU 325.A OE1 no hydrogen 3.565 N/A GLU 297.A N ARG 294.A O no hydrogen 3.005 N/A LEU 298.A N ARG 294.A O no hydrogen 3.307 N/A LEU 298.A N ILE 295.A O no hydrogen 3.184 N/A GLN 303.A N SER 299.A O no hydrogen 3.057 N/A GLN 303.A NE2 ILE 295.A O no hydrogen 2.723 N/A LYS 304.A N ASP 301.A O no hydrogen 2.984 N/A ILE 305.A N ASP 302.A O no hydrogen 3.253 N/A THR 307.A N GLN 303.A O no hydrogen 3.056 N/A THR 307.A OG1 GLN 303.A O no hydrogen 3.297 N/A THR 307.A OG1 LYS 304.A O no hydrogen 3.068 N/A ASP 308.A N LYS 304.A O no hydrogen 3.030 N/A LEU 309.A N ILE 305.A O no hydrogen 3.088 N/A GLN 310.A N PHE 306.A O no hydrogen 2.907 N/A SER 311.A N THR 307.A O no hydrogen 2.646 N/A SER 311.A OG ASP 308.A O no hydrogen 2.673 N/A SER 311.A OG ASP 308.A OD1 no hydrogen 3.301 N/A GLU 312.A N ASP 308.A O no hydrogen 2.864 N/A GLY 313.A N GLN 310.A O no hydrogen 3.084 N/A PHE 314.A N LEU 309.A O no hydrogen 2.847 N/A ILE 317.A N VAL 285.A O no hydrogen 3.229 N/A GLU 318.A N GLU 318.A OE1 no hydrogen 2.743 N/A THR 319.A N ALA 287.A O no hydrogen 2.696 N/A THR 319.A OG1 SER 320.A O no hydrogen 3.477 N/A SER 320.A OG THR 323.A O no hydrogen 3.545 N/A THR 321.A OG1 SER 182.A OG no hydrogen 3.115 N/A GLU 324.A N GLU 324.A OE1 no hydrogen 2.830 N/A GLU 325.A N THR 323.A O no hydrogen 2.547 N/A LYS 329.A NZ GLU 325.A O no hydrogen 3.353 N/A LYS 329.A NZ GLU 325.A OE2 no hydrogen 2.707 N/A VAL 330.A N GLY 326.A O no hydrogen 3.136 N/A LYS 331.A N VAL 327.A O no hydrogen 3.357 N/A THR 332.A N ILE 328.A O no hydrogen 3.172 N/A THR 332.A OG1 ILE 328.A O no hydrogen 3.479 N/A THR 332.A OG1 LYS 329.A O no hydrogen 2.919 N/A GLU 333.A N LYS 329.A O no hydrogen 3.077 N/A ALA 334.A N VAL 330.A O no hydrogen 2.879 N/A CYS 335.A N LYS 331.A O no hydrogen 3.017 N/A CYS 335.A SG LYS 331.A O no hydrogen 3.204 N/A ASP 336.A N THR 332.A O no hydrogen 3.108 N/A ARG 337.A N GLU 333.A O no hydrogen 3.239 N/A ARG 337.A NH1 GLU 333.A OE1 no hydrogen 3.516 N/A LEU 338.A N ALA 334.A O no hydrogen 3.257 N/A LEU 339.A N CYS 335.A O no hydrogen 2.694 N/A ALA 340.A N ASP 336.A O no hydrogen 2.739 N/A HIS 341.A N ARG 337.A O no hydrogen 2.967 N/A ARG 342.A N LEU 338.A O no hydrogen 2.870 N/A VAL 343.A N LEU 339.A O no hydrogen 3.196 N/A GLU 344.A N ALA 340.A O no hydrogen 3.222 N/A THR 345.A N HIS 341.A O no hydrogen 3.392 N/A LYS 346.A N ARG 342.A O no hydrogen 3.199 N/A MET 347.A N VAL 343.A O no hydrogen 2.810 N/A LYS 348.A N THR 345.A O no hydrogen 3.131 N/A LYS 348.A NZ GLU 344.A O no hydrogen 3.254 N/A GLU 354.A N LYS 351.A O no hydrogen 3.191 N/A VAL 355.A N VAL 352.A O no hydrogen 3.386 N/A LEU 356.A N ASN 353.A O no hydrogen 3.417 N/A ARG 358.A N VAL 355.A O no hydrogen 3.216 N/A LEU 359.A N VAL 355.A O no hydrogen 3.380 N/A LEU 359.A N LEU 356.A O no hydrogen 2.969 N/A HIS 360.A N LEU 356.A O no hydrogen 3.082 N/A LYS 370.A N ASP 368.A OD2 no hydrogen 2.853 N/A LYS 370.A NZ GLU 371.A O no hydrogen 2.730 N/A VAL 380.A N PRO 377.A O no hydrogen 3.266 N/A LEU 387.A N ARG 383.A O no hydrogen 3.279 N/A GLU 388.A N GLU 384.A O no hydrogen 2.880 N/A LEU 389.A N ARG 385.A O no hydrogen 2.958 N/A GLU 390.A N ASP 386.A O no hydrogen 2.899 N/A MET 391.A N LEU 387.A O no hydrogen 3.025 N/A TYR 395.A OH GLU 384.A OE2 no hydrogen 2.740 N/A GLN 400.A NE2 ASP 413.A O no hydrogen 3.080 N/A LYS 401.A N ASP 398.A O no hydrogen 3.157 N/A TRP 403.A N GLN 400.A O no hydrogen 3.380 N/A LYS 411.A N LEU 408.A O no hydrogen 3.222 N/A LYS 411.A NZ LYS 401.A O no hydrogen 3.027 N/A TRP 419.A N HIS 422.A O no hydrogen 2.864 N/A HIS 422.A N TRP 419.A O no hydrogen 3.073 N/A ILE 424.A N GLU 417.A O no hydrogen 2.931 N/A ASP 426.A N ASN 423.A O no hydrogen 3.332 N/A TYR 427.A N ILE 424.A O no hydrogen 3.277 N/A ILE 428.A N ALA 425.A O no hydrogen 3.382 N/A ALA 431.A N ASP 429.A OD2 no hydrogen 2.858 N/A LEU 436.A N ILE 432.A O no hydrogen 2.864 N/A GLU 437.A N MET 433.A O no hydrogen 2.823 N/A GLU 438.A N LYS 434.A O no hydrogen 3.423 N/A LEU 439.A N LYS 435.A O no hydrogen 3.098 N/A GLU 440.A N LEU 436.A O no hydrogen 2.843 N/A LYS 441.A N GLU 437.A O no hydrogen 3.043 N/A GLU 442.A N GLU 438.A O no hydrogen 3.207 N/A GLU 443.A N LEU 439.A O no hydrogen 3.134 N/A GLU 444.A N GLU 440.A O no hydrogen 3.103 N/A LEU 445.A N LYS 441.A O no hydrogen 3.041 N/A ARG 446.A N GLU 442.A O no hydrogen 2.985 N/A ARG 446.A NE GLU 442.A OE2 no hydrogen 3.387 N/A THR 447.A N GLU 443.A O no hydrogen 2.911 N/A THR 447.A OG1 GLU 443.A O no hydrogen 3.308 N/A THR 447.A OG1 GLU 444.A O no hydrogen 2.823 N/A ALA 448.A N GLU 444.A O no hydrogen 3.036 N/A ALA 449.A N LEU 445.A O no hydrogen 2.821 N/A GLY 450.A N THR 447.A O no hydrogen 3.166 N/A GLU 451.A N ARG 446.A O no hydrogen 3.012 N/A TYR 452.A OH GLU 443.A OE1 no hydrogen 2.906 N/A TYR 452.A OH GLU 443.A OE2 no hydrogen 2.938 N/A