Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8zi1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 4.A OE1 no hydrogen 2.881 N/A LYS 2.A NZ ASP 22.A OD1 no hydrogen 3.304 N/A GLY 5.A N ALA 64.A O no hydrogen 2.907 N/A ILE 7.A N GLN 62.A O no hydrogen 3.202 N/A VAL 8.A N ARG 16.A O no hydrogen 3.102 N/A SER 11.A N ILE 14.A O no hydrogen 2.927 N/A ILE 14.A N SER 11.A O no hydrogen 2.906 N/A VAL 15.A N ALA 49.A O no hydrogen 2.906 N/A ARG 16.A N MET 9.A O no hydrogen 2.944 N/A ARG 16.A NH1 SER 46.A OG no hydrogen 3.157 N/A ILE 17.A N VAL 47.A O no hydrogen 2.686 N/A HIS 18.A N THR 6.A O no hydrogen 3.181 N/A GLY 26.A N ALA 39.A O no hydrogen 3.317 N/A GLU 27.A N MET 24.A O no hydrogen 3.122 N/A MET 28.A N ARG 69.A O no hydrogen 3.323 N/A ILE 29.A N GLY 37.A O no hydrogen 2.855 N/A GLU 30.A N ARG 65.A O no hydrogen 2.877 N/A PHE 31.A N LEU 35.A O no hydrogen 2.701 N/A GLY 37.A N ILE 29.A O no hydrogen 2.925 N/A MET 38.A N VAL 50.A O no hydrogen 3.306 N/A LEU 40.A N GLY 48.A O no hydrogen 3.033 N/A GLU 43.A N SER 46.A O no hydrogen 2.856 N/A VAL 47.A N ILE 17.A O no hydrogen 2.963 N/A GLY 48.A N ASN 41.A O no hydrogen 2.898 N/A ALA 49.A N VAL 15.A O no hydrogen 2.924 N/A VAL 50.A N MET 38.A O no hydrogen 3.220 N/A LEU 52.A N PHE 36.A O no hydrogen 2.768 N/A LEU 58.A N TYR 55.A O no hydrogen 3.338 N/A GLY 61.A N ILE 7.A O no hydrogen 3.105 N/A GLN 62.A N GLN 59.A O no hydrogen 3.413 N/A GLN 62.A NE2 SER 57.A O no hydrogen 3.325 N/A ALA 64.A N GLY 5.A O no hydrogen 3.136 N/A ARG 65.A NH1 GLU 30.A OE2 no hydrogen 2.300 N/A THR 67.A N MET 28.A O no hydrogen 3.390 N/A ARG 69.A N THR 67.A OG1 no hydrogen 3.154 N/A LEU 71.A N GLY 26.A O no hydrogen 3.076 N/A VAL 73.A N ASP 103.A O no hydrogen 2.892 N/A VAL 75.A N LEU 101.A O no hydrogen 2.901 N/A GLY 81.A N THR 197.A O no hydrogen 2.498 N/A ARG 82.A NE ASP 92.A OD2 no hydrogen 3.116 N/A ARG 82.A NH1 GLY 95.A O no hydrogen 3.346 N/A ARG 82.A NH2 ASP 92.A OD1 no hydrogen 3.330 N/A ARG 82.A NH2 GLY 95.A O no hydrogen 2.548 N/A VAL 84.A N VAL 199.A O no hydrogen 2.842 N/A ASP 85.A N ASN 89.A O no hydrogen 2.751 N/A GLY 88.A N ASP 85.A O no hydrogen 2.716 N/A ASN 89.A N ASP 85.A OD1 no hydrogen 2.428 N/A ILE 91.A N VAL 83.A O no hydrogen 3.292 N/A LYS 94.A NZ GLU 189.A OE2 no hydrogen 3.019 N/A THR 102.A OG1 GLU 72.A OE2 no hydrogen 2.902 N/A ASP 103.A N VAL 73.A O no hydrogen 2.916 N/A VAL 105.A N LEU 71.A O no hydrogen 3.096 N/A TRP 114.A N GLY 111.A O no hydrogen 3.234 N/A ARG 115.A NH2 PRO 110.A O no hydrogen 2.381 N/A GLN 116.A N ARG 279.A O no hydrogen 3.112 N/A VAL 122.A N VAL 135.A O no hydrogen 3.158 N/A THR 124.A N ASP 130.A OD1 no hydrogen 3.364 N/A THR 124.A N ASP 130.A OD2 no hydrogen 3.110 N/A TYR 126.A OH ASP 157.A OD2 no hydrogen 2.385 N/A LYS 127.A NZ LEU 406.A O no hydrogen 2.943 N/A LYS 127.A NZ ASP 444.A OD2 no hydrogen 2.897 N/A ASP 130.A N TYR 126.A O no hydrogen 2.849 N/A THR 131.A N LYS 127.A O no hydrogen 2.917 N/A THR 131.A OG1 LYS 127.A O no hydrogen 2.423 N/A MET 132.A N SER 128.A O no hydrogen 3.311 N/A ILE 133.A N VAL 129.A O no hydrogen 2.806 N/A GLY 136.A N GLN 139.A OE1 no hydrogen 2.883 N/A ARG 137.A N GLN 120.A O no hydrogen 2.907 N/A ARG 137.A NE PRO 121.A O no hydrogen 3.129 N/A ARG 137.A NH1 ASP 231.A OD2 no hydrogen 2.658 N/A ARG 137.A NH2 PRO 121.A O no hydrogen 2.625 N/A GLY 138.A N THR 301.A OG1 no hydrogen 3.172 N/A GLN 139.A N GLY 136.A O no hydrogen 3.277 N/A GLN 139.A NE2 ASP 326.A O no hydrogen 3.671 N/A GLN 139.A NE2 SER 351.A O no hydrogen 2.871 N/A ARG 140.A NH1 LEU 274.A O no hydrogen 3.206 N/A ARG 140.A NH2 ASP 326.A OD1 no hydrogen 3.006 N/A GLU 141.A N ALA 302.A O no hydrogen 3.334 N/A LEU 142.A N GLY 327.A O no hydrogen 3.136 N/A ILE 143.A N PRO 304.A O no hydrogen 3.151 N/A ILE 144.A N ILE 329.A O no hydrogen 2.885 N/A GLY 145.A N ILE 306.A O no hydrogen 3.386 N/A THR 149.A OG1 ASP 146.A O no hydrogen 2.484 N/A LYS 151.A NZ ASP 146.A O no hydrogen 3.193 N/A THR 152.A OG1 ASP 237.A OD1 no hydrogen 3.436 N/A MET 154.A N GLY 150.A O no hydrogen 3.489 N/A ALA 155.A N LYS 151.A O no hydrogen 3.453 N/A ILE 156.A N THR 152.A O no hydrogen 3.077 N/A ASP 157.A N ALA 153.A O no hydrogen 2.836 N/A ALA 158.A N MET 154.A O no hydrogen 2.959 N/A ILE 159.A N ALA 155.A O no hydrogen 2.944 N/A ILE 160.A N ILE 156.A O no hydrogen 2.893 N/A ALA 161.A N ASP 157.A O no hydrogen 2.939 N/A GLN 162.A N ILE 159.A O no hydrogen 3.368 N/A CYS 169.A N TYR 196.A O no hydrogen 3.424 N/A CYS 169.A SG ILE 167.A O no hydrogen 3.749 N/A VAL 170.A N LEU 233.A O no hydrogen 2.808 N/A TYR 171.A N THR 198.A O no hydrogen 3.131 N/A VAL 172.A N ILE 235.A O no hydrogen 2.909 N/A ALA 173.A N VAL 200.A O no hydrogen 2.927 N/A GLY 175.A N ALA 202.A O no hydrogen 2.704 N/A ILE 181.A N LYS 177.A O no hydrogen 3.158 N/A ALA 182.A N GLN 178.A O no hydrogen 2.922 N/A ASN 183.A N SER 179.A O no hydrogen 2.927 N/A VAL 184.A N THR 180.A O no hydrogen 2.903 N/A VAL 185.A N ILE 181.A O no hydrogen 2.940 N/A ARG 186.A N ALA 182.A O no hydrogen 2.911 N/A ARG 186.A NH1 ASN 183.A OD1 no hydrogen 2.752 N/A LYS 187.A N ASN 183.A O no hydrogen 2.932 N/A LEU 188.A N VAL 184.A O no hydrogen 2.909 N/A GLU 189.A N VAL 185.A O no hydrogen 2.922 N/A GLU 190.A N ARG 186.A O no hydrogen 2.924 N/A THR 191.A N LYS 187.A O no hydrogen 3.254 N/A THR 191.A OG1 LYS 187.A O no hydrogen 3.216 N/A THR 191.A OG1 LEU 188.A O no hydrogen 3.316 N/A GLY 192.A N GLU 189.A O no hydrogen 3.354 N/A ALA 195.A N GLY 192.A O no hydrogen 3.374 N/A THR 197.A OG1 ALA 193.A O no hydrogen 2.630 N/A THR 198.A N CYS 169.A O no hydrogen 3.300 N/A THR 198.A OG1 LEU 79.A O no hydrogen 2.735 N/A VAL 199.A N ARG 82.A O no hydrogen 2.949 N/A VAL 200.A N TYR 171.A O no hydrogen 2.948 N/A ALA 201.A N VAL 84.A O no hydrogen 3.222 N/A ALA 202.A N ALA 173.A O no hydrogen 2.795 N/A ALA 203.A N ASP 206.A OD2 no hydrogen 3.298 N/A ALA 204.A N GLN 176.A O no hydrogen 2.941 N/A ASP 206.A N ALA 203.A O no hydrogen 3.103 N/A GLN 211.A N PRO 207.A O no hydrogen 3.363 N/A GLN 211.A NE2 ASP 206.A O no hydrogen 2.786 N/A TYR 212.A N ALA 208.A O no hydrogen 2.892 N/A TYR 212.A N ALA 209.A O no hydrogen 3.193 N/A LEU 213.A N ALA 209.A O no hydrogen 2.927 N/A ALA 214.A N MET 210.A O no hydrogen 2.940 N/A SER 217.A N LEU 213.A O no hydrogen 3.446 N/A SER 217.A OG ALA 86.A O no hydrogen 3.364 N/A SER 217.A OG LEU 213.A O no hydrogen 3.195 N/A GLY 218.A N ALA 214.A O no hydrogen 2.964 N/A CYS 219.A N PRO 215.A O no hydrogen 2.894 N/A CYS 219.A SG GLU 223.A OE2 no hydrogen 3.544 N/A THR 220.A N TYR 216.A O no hydrogen 2.947 N/A THR 220.A OG1 TYR 216.A O no hydrogen 3.387 N/A THR 220.A OG1 SER 217.A O no hydrogen 2.739 N/A MET 221.A N SER 217.A O no hydrogen 2.937 N/A GLY 222.A N GLY 218.A O no hydrogen 2.928 N/A GLU 223.A N CYS 219.A O no hydrogen 2.891 N/A GLU 223.A N THR 220.A O no hydrogen 3.291 N/A ARG 228.A N PHE 225.A O no hydrogen 3.095 N/A ARG 228.A NH1 TYR 224.A O no hydrogen 2.712 N/A GLU 230.A N PHE 225.A O no hydrogen 3.008 N/A ILE 234.A N THR 301.A O no hydrogen 2.895 N/A ILE 235.A N VAL 170.A O no hydrogen 2.921 N/A ASP 237.A N VAL 172.A O no hydrogen 2.860 N/A LEU 239.A N ILE 305.A O no hydrogen 3.101 N/A GLN 242.A NE2 TYR 212.A O no hydrogen 3.188 N/A ALA 243.A N LEU 239.A O no hydrogen 2.962 N/A VAL 244.A N SER 240.A O no hydrogen 2.925 N/A ALA 245.A N LYS 241.A O no hydrogen 2.924 N/A TYR 246.A N GLN 242.A O no hydrogen 2.917 N/A ARG 247.A N ALA 243.A O no hydrogen 2.895 N/A ARG 247.A NH1 ALA 261.A O no hydrogen 3.516 N/A GLN 248.A N VAL 244.A O no hydrogen 2.925 N/A ILE 249.A N ALA 245.A O no hydrogen 2.965 N/A SER 250.A N TYR 246.A O no hydrogen 2.907 N/A SER 250.A OG TYR 246.A O no hydrogen 3.488 N/A SER 250.A OG ARG 247.A O no hydrogen 2.850 N/A LEU 251.A N ARG 247.A O no hydrogen 2.906 N/A LEU 252.A N GLN 248.A O no hydrogen 2.918 N/A LEU 253.A N ILE 249.A O no hydrogen 2.941 N/A LEU 253.A N SER 250.A O no hydrogen 3.134 N/A ARG 254.A N LEU 251.A O no hydrogen 3.142 N/A ARG 255.A N SER 250.A O no hydrogen 3.385 N/A VAL 266.A N PRO 263.A O no hydrogen 3.282 N/A PHE 267.A N GLY 264.A O no hydrogen 2.938 N/A LEU 269.A N ASP 265.A O no hydrogen 3.191 N/A HIS 270.A N VAL 266.A O no hydrogen 3.152 N/A HIS 270.A N PHE 267.A O no hydrogen 2.958 N/A SER 271.A N TYR 268.A O no hydrogen 2.934 N/A ARG 272.A N TYR 268.A O no hydrogen 2.999 N/A GLU 275.A N SER 271.A O no hydrogen 2.806 N/A ARG 276.A NH1 VAL 105.A O no hydrogen 3.300 N/A ARG 276.A NH2 GLU 223.A OE1 no hydrogen 2.695 N/A ARG 279.A NH1 SER 117.A O no hydrogen 2.855 N/A ARG 279.A NH2 THR 297.A OG1 no hydrogen 2.912 N/A SER 281.A OG GLU 283.A OE1 no hydrogen 3.281 N/A GLU 283.A N GLU 283.A OE1 no hydrogen 2.794 N/A VAL 285.A N SER 281.A O no hydrogen 3.357 N/A GLU 286.A N ALA 282.A O no hydrogen 3.230 N/A LYS 287.A N GLU 283.A O no hydrogen 3.017 N/A PHE 288.A N TYR 284.A O no hydrogen 2.899 N/A THR 289.A N VAL 285.A O no hydrogen 2.896 N/A GLY 291.A N GLU 286.A O no hydrogen 3.107 N/A ALA 292.A N THR 289.A O no hydrogen 3.267 N/A LEU 303.A N ILE 234.A O no hydrogen 2.973 N/A ILE 306.A N ILE 143.A O no hydrogen 3.163 N/A THR 308.A N GLY 145.A O no hydrogen 3.163 N/A THR 308.A OG1 ASP 146.A OD1 no hydrogen 2.490 N/A GLY 311.A N ASP 146.A OD1 no hydrogen 2.906 N/A ASP 312.A N GLN 309.A O no hydrogen 3.255 N/A THR 319.A N ALA 315.A O no hydrogen 3.121 N/A THR 319.A OG1 VAL 313.A O no hydrogen 3.276 N/A THR 319.A OG1 ALA 315.A O no hydrogen 2.775 N/A ASN 320.A N PHE 316.A O no hydrogen 3.391 N/A VAL 321.A N VAL 317.A O no hydrogen 3.380 N/A ILE 322.A N PRO 318.A O no hydrogen 3.280 N/A SER 323.A OG ASN 320.A O no hydrogen 2.651 N/A ILE 324.A N VAL 321.A O no hydrogen 3.142 N/A THR 325.A OG1 VAL 321.A O no hydrogen 3.294 N/A THR 325.A OG1 ILE 322.A O no hydrogen 3.218 N/A THR 325.A OG1 GLN 328.A OE1 no hydrogen 2.502 N/A ASP 326.A N ARG 140.A O no hydrogen 2.935 N/A GLN 328.A N VAL 350.A O no hydrogen 3.012 N/A ILE 329.A N LEU 142.A O no hydrogen 2.783 N/A PHE 330.A N SER 349.A OG no hydrogen 2.655 N/A LEU 331.A N ILE 144.A O no hydrogen 3.117 N/A PHE 336.A N GLU 332.A O no hydrogen 3.388 N/A ASN 337.A N THR 333.A O no hydrogen 2.936 N/A ASN 337.A ND2 THR 333.A OG1 no hydrogen 3.308 N/A ALA 338.A N SER 334.A O no hydrogen 3.006 N/A ILE 340.A N ALA 338.A O no hydrogen 2.781 N/A ASN 345.A N PHE 330.A O no hydrogen 2.927 N/A ASN 345.A ND2 GLU 332.A OE2 no hydrogen 3.111 N/A GLY 347.A N ASN 345.A OD1 no hydrogen 3.224 N/A SER 349.A N ASN 345.A O no hydrogen 3.159 N/A SER 349.A OG ASN 345.A O no hydrogen 2.791 N/A VAL 350.A N GLN 328.A O no hydrogen 3.215 N/A SER 356.A N GLY 354.A O no hydrogen 2.802 N/A LYS 363.A N THR 359.A O no hydrogen 2.801 N/A LYS 364.A N LYS 360.A O no hydrogen 2.908 N/A LEU 365.A N ILE 361.A O no hydrogen 2.934 N/A SER 366.A OG THR 131.A O no hydrogen 2.335 N/A SER 366.A OG SER 366.A O no hydrogen 2.527 N/A THR 371.A N GLY 367.A O no hydrogen 2.932 N/A THR 371.A OG1 GLY 367.A O no hydrogen 3.219 N/A THR 371.A OG1 GLY 368.A O no hydrogen 2.533 N/A ALA 372.A N GLY 368.A O no hydrogen 2.902 N/A LEU 373.A N ILE 369.A O no hydrogen 2.925 N/A ALA 374.A N ARG 370.A O no hydrogen 2.905 N/A GLN 375.A N THR 371.A O no hydrogen 2.917 N/A TYR 376.A N ALA 372.A O no hydrogen 2.935 N/A ARG 377.A N LEU 373.A O no hydrogen 2.885 N/A ARG 377.A NE LEU 373.A O no hydrogen 2.984 N/A GLU 378.A N ALA 374.A O no hydrogen 2.894 N/A LEU 379.A N GLN 375.A O no hydrogen 2.926 N/A ALA 380.A N TYR 376.A O no hydrogen 3.113 N/A PHE 382.A N LEU 379.A O no hydrogen 2.980 N/A GLN 384.A N GLN 384.A OE1 no hydrogen 2.878 N/A ALA 386.A N ALA 383.A O no hydrogen 3.053 N/A ASP 390.A N ASP 388.A OD1 no hydrogen 3.382 N/A THR 393.A N ASP 390.A O no hydrogen 3.310 N/A THR 393.A OG1 ASP 388.A O no hydrogen 2.398 N/A THR 393.A OG1 ASP 390.A O no hydrogen 3.333 N/A THR 393.A OG1 ASP 390.A OD1 no hydrogen 2.309 N/A ARG 394.A N ASP 390.A O no hydrogen 2.897 N/A ARG 394.A NH1 ALA 386.A O no hydrogen 2.713 N/A ARG 394.A NH2 ALA 386.A O no hydrogen 2.970 N/A ARG 394.A NH2 SER 387.A O no hydrogen 3.453 N/A LYS 395.A N GLU 391.A O no hydrogen 3.377 N/A GLN 396.A N GLU 391.A O no hydrogen 2.941 N/A HIS 399.A N LYS 395.A O no hydrogen 2.540 N/A GLY 400.A N GLN 396.A O no hydrogen 2.890 N/A GLN 401.A N LEU 397.A O no hydrogen 2.927 N/A ARG 402.A N GLU 398.A O no hydrogen 2.898 N/A ARG 402.A NE GLU 398.A O no hydrogen 3.519 N/A VAL 403.A N HIS 399.A O no hydrogen 2.927 N/A THR 404.A N GLY 400.A O no hydrogen 2.896 N/A THR 404.A OG1 GLY 400.A O no hydrogen 2.452 N/A GLU 405.A N GLN 401.A O no hydrogen 2.913 N/A LEU 406.A N ARG 402.A O no hydrogen 2.919 N/A GLN 409.A NE2 GLY 125.A O no hydrogen 3.261 N/A GLN 409.A NE2 ALA 413.A O no hydrogen 2.595 N/A TYR 415.A N GLY 125.A O no hydrogen 3.283 N/A ALA 418.A N ASP 463.A OD1 no hydrogen 2.799 N/A GLN 420.A N SER 416.A O no hydrogen 3.168 N/A GLN 420.A NE2 TYR 415.A O no hydrogen 3.026 N/A GLN 420.A NE2 SER 416.A O no hydrogen 3.399 N/A ALA 421.A N ILE 417.A O no hydrogen 2.898 N/A VAL 422.A N ALA 418.A O no hydrogen 2.913 N/A SER 423.A N ASP 419.A O no hydrogen 2.961 N/A SER 423.A OG ASP 419.A O no hydrogen 2.862 N/A SER 423.A OG GLN 420.A O no hydrogen 2.767 N/A VAL 424.A N GLN 420.A O no hydrogen 2.898 N/A TYR 425.A N ALA 421.A O no hydrogen 2.901 N/A ALA 426.A N VAL 422.A O no hydrogen 2.916 N/A SER 427.A N SER 423.A O no hydrogen 2.917 N/A SER 427.A OG VAL 424.A O no hydrogen 2.649 N/A ASN 428.A N VAL 424.A O no hydrogen 2.885 N/A ALA 433.A N GLY 430.A O no hydrogen 3.128 N/A VAL 435.A N MET 432.A O no hydrogen 3.132 N/A GLU 436.A N GLU 436.A OE1 no hydrogen 2.767 N/A LYS 439.A NZ ASP 442.A OD2 no hydrogen 3.431 N/A LYS 439.A NZ TYR 489.A O no hydrogen 2.618 N/A ILE 440.A N VAL 437.A O no hydrogen 2.932 N/A PHE 443.A N LYS 439.A O no hydrogen 3.179 N/A ASP 444.A N ILE 440.A O no hydrogen 2.819 N/A ALA 445.A N VAL 441.A O no hydrogen 3.164 N/A ALA 446.A N ASP 442.A O no hydrogen 3.042 N/A LEU 447.A N PHE 443.A O no hydrogen 2.912 N/A ILE 448.A N ASP 444.A O no hydrogen 3.267 N/A ALA 449.A N ALA 445.A O no hydrogen 3.123 N/A TYR 450.A N ALA 446.A O no hydrogen 2.886 N/A PHE 451.A N LEU 447.A O no hydrogen 2.915 N/A ARG 452.A N ALA 449.A O no hydrogen 2.959 N/A SER 453.A N TYR 450.A O no hydrogen 2.956 N/A SER 453.A OG TYR 450.A O no hydrogen 2.992 N/A GLU 454.A N TYR 450.A O no hydrogen 2.943 N/A MET 459.A N TYR 455.A O no hydrogen 3.155 N/A LYS 460.A N ALA 456.A O no hydrogen 2.910 N/A GLN 461.A N PRO 457.A O no hydrogen 2.900 N/A ILE 462.A N LEU 458.A O no hydrogen 2.921 N/A ASP 463.A N MET 459.A O no hydrogen 2.894 N/A GLU 464.A N GLN 461.A O no hydrogen 3.431 N/A THR 465.A N GLN 461.A O no hydrogen 3.328 N/A LYS 470.A NZ GLU 473.A OE1 no hydrogen 2.737 N/A ILE 472.A N ASN 469.A O no hydrogen 2.979 N/A ILE 472.A N ASN 469.A OD1 no hydrogen 3.293 N/A GLU 473.A N ASN 469.A O no hydrogen 3.412 N/A ALA 474.A N LYS 470.A O no hydrogen 2.806 N/A ALA 475.A N ASP 471.A O no hydrogen 2.904 N/A ILE 476.A N ILE 472.A O no hydrogen 2.924 N/A LYS 477.A N GLU 473.A O no hydrogen 2.907 N/A LYS 477.A NZ TYR 431.A OH no hydrogen 2.774 N/A ALA 478.A N ALA 474.A O no hydrogen 2.907 N/A GLY 479.A N ALA 475.A O no hydrogen 2.907 N/A ILE 480.A N ILE 476.A O no hydrogen 2.945 N/A GLU 481.A N LYS 477.A O no hydrogen 2.886 N/A SER 482.A N ALA 478.A O no hydrogen 2.927 N/A SER 482.A OG ALA 478.A O no hydrogen 3.168 N/A PHE 483.A N GLY 479.A O no hydrogen 2.922 N/A LYS 484.A N ILE 480.A O no hydrogen 2.918 N/A LYS 484.A NZ TYR 431.A O no hydrogen 3.005 N/A THR 486.A N SER 482.A O no hydrogen 2.995 N/A THR 488.A N GLN 487.A OE1 no hydrogen 3.072 N/A