Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2am2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 GLU 6.A OE2 no hydrogen 3.458 N/A GLU 6.A N THR 3.A OG1 no hydrogen 3.358 N/A ILE 7.A N THR 3.A O no hydrogen 2.757 N/A ALA 8.A N ILE 4.A O no hydrogen 2.983 N/A GLN 9.A N HIS 5.A O no hydrogen 2.952 N/A VAL 10.A N GLU 6.A O no hydrogen 2.899 N/A VAL 11.A N ILE 7.A O no hydrogen 2.740 N/A GLY 12.A N ALA 8.A O no hydrogen 2.674 N/A ALA 13.A N ALA 8.A O no hydrogen 2.819 N/A LYS 14.A N LEU 78.A O no hydrogen 2.658 N/A LYS 14.A NZ ASP 80.A OD1 no hydrogen 3.049 N/A LYS 14.A NZ ASP 80.A OD2 no hydrogen 3.071 N/A ASN 15.A ND2 TYR 76.A O no hydrogen 2.863 N/A ILE 19.A N ASP 16.A OD2 no hydrogen 3.396 N/A PHE 20.A N ILE 17.A O no hydrogen 2.783 N/A LEU 25.A N LEU 2.A O no hydrogen 2.986 N/A GLU 26.A N GLY 38.A O no hydrogen 2.661 N/A LYS 27.A NZ GLU 29.A OE2 no hydrogen 3.009 N/A LYS 27.A NZ ASP 39.A OD2 no hydrogen 3.138 N/A GLU 29.A N LEU 40.A O no hydrogen 3.180 N/A ARG 33.A NE ASP 31.A OD1 no hydrogen 3.240 N/A ARG 33.A NH1 GLU 350.A O no hydrogen 3.329 N/A ARG 33.A NH2 ASP 31.A OD1 no hydrogen 3.189 N/A LEU 34.A N ASP 31.A O no hydrogen 2.390 N/A ILE 35.A N SER 32.A O no hydrogen 3.221 N/A GLY 36.A N ASP 39.A OD2 no hydrogen 2.761 N/A GLY 38.A N GLY 61.A O no hydrogen 2.880 N/A ASP 39.A N GLY 36.A O no hydrogen 3.189 N/A LEU 40.A N LYS 27.A O no hydrogen 2.612 N/A PHE 41.A N VAL 64.A O no hydrogen 3.085 N/A VAL 42.A N GLU 29.A O no hydrogen 3.027 N/A ALA 47.A N THR 323.A OG1 no hydrogen 2.496 N/A GLY 50.A N LEU 44.A O no hydrogen 2.605 N/A HIS 51.A N ASP 49.A OD2 no hydrogen 2.648 N/A HIS 51.A NE2 GLU 68.A OE1 no hydrogen 3.159 N/A PHE 53.A N GLY 50.A O no hydrogen 2.611 N/A ILE 54.A N HIS 51.A O no hydrogen 2.816 N/A ALA 57.A N PHE 53.A O no hydrogen 2.865 N/A PHE 58.A N ILE 54.A O no hydrogen 3.206 N/A GLU 59.A N GLU 55.A O no hydrogen 3.169 N/A ASN 60.A N THR 56.A O no hydrogen 3.030 N/A ASN 60.A N ALA 57.A O no hydrogen 2.727 N/A GLY 61.A N PHE 58.A O no hydrogen 2.743 N/A ALA 62.A N ALA 57.A O no hydrogen 3.352 N/A ALA 63.A N ASP 39.A O no hydrogen 2.820 N/A THR 65.A N PRO 75.A O no hydrogen 2.687 N/A THR 65.A OG1 LEU 66.A O no hydrogen 2.635 N/A LEU 66.A N PHE 41.A O no hydrogen 2.856 N/A SER 67.A N ILE 77.A O no hydrogen 3.041 N/A SER 67.A OG LYS 69.A O no hydrogen 2.490 N/A LYS 69.A N SER 67.A OG no hydrogen 2.900 N/A ILE 77.A N THR 65.A O no hydrogen 2.803 N/A LEU 78.A N ASN 15.A OD1 no hydrogen 2.610 N/A VAL 79.A N SER 67.A O no hydrogen 2.873 N/A THR 84.A N ASP 81.A OD2 no hydrogen 2.718 N/A THR 84.A OG1 ASP 81.A OD2 no hydrogen 2.444 N/A ALA 85.A N ASP 81.A O no hydrogen 3.002 N/A PHE 86.A N VAL 82.A O no hydrogen 2.731 N/A GLN 87.A N LEU 83.A O no hydrogen 2.830 N/A SER 88.A N THR 84.A O no hydrogen 2.913 N/A SER 88.A OG THR 84.A O no hydrogen 3.094 N/A LEU 89.A N ALA 85.A O no hydrogen 2.902 N/A ALA 90.A N PHE 86.A O no hydrogen 3.238 N/A SER 91.A N GLN 87.A O no hydrogen 2.947 N/A TYR 92.A N SER 88.A O no hydrogen 2.943 N/A TYR 92.A OH GLU 6.A OE1 no hydrogen 2.472 N/A TYR 93.A N LEU 89.A O no hydrogen 2.895 N/A LEU 94.A N ALA 90.A O no hydrogen 2.961 N/A GLU 95.A N TYR 92.A O no hydrogen 2.953 N/A LYS 96.A N TYR 92.A O no hydrogen 3.029 N/A LYS 96.A NZ LYS 1.A O no hydrogen 2.953 N/A LYS 96.A NZ GLU 6.A OE1 no hydrogen 3.053 N/A LYS 96.A NZ GLU 6.A OE2 no hydrogen 3.489 N/A THR 97.A N TYR 93.A O no hydrogen 2.776 N/A THR 97.A OG1 TYR 93.A O no hydrogen 2.474 N/A THR 98.A N LEU 94.A O no hydrogen 3.159 N/A THR 98.A OG1 THR 97.A O no hydrogen 2.737 N/A ASP 100.A N GLU 150.A O no hydrogen 3.175 N/A PHE 102.A N LEU 152.A O no hydrogen 2.867 N/A ALA 103.A N THR 174.A O no hydrogen 3.012 N/A VAL 104.A N LEU 154.A O no hydrogen 2.858 N/A THR 105.A N ILE 176.A O no hydrogen 2.976 N/A THR 112.A OG1 ASP 115.A OD2 no hydrogen 2.665 N/A LYS 114.A NZ THR 129.A O no hydrogen 2.962 N/A ASP 115.A N THR 112.A OG1 no hydrogen 3.159 N/A ALA 117.A N LYS 114.A O no hydrogen 3.334 N/A HIS 118.A N ASP 115.A O no hydrogen 2.776 N/A HIS 118.A NE2 ALA 291.A O no hydrogen 2.959 N/A LEU 120.A N LEU 116.A O no hydrogen 3.028 N/A SER 121.A N ALA 117.A O no hydrogen 2.988 N/A SER 121.A OG ALA 117.A O no hydrogen 3.132 N/A THR 122.A N LEU 119.A O no hydrogen 3.269 N/A THR 122.A OG1 LEU 119.A O no hydrogen 3.051 N/A ARG 123.A N LEU 120.A O no hydrogen 3.361 N/A TYR 124.A N LEU 120.A O no hydrogen 2.947 N/A TYR 124.A OH GLU 281.A O no hydrogen 2.183 N/A LYS 125.A N GLU 150.A OE1 no hydrogen 2.900 N/A TYR 127.A N LYS 151.A O no hydrogen 2.849 N/A LYS 128.A NZ ASP 115.A OD1 no hydrogen 3.126 N/A THR 129.A N VAL 153.A O no hydrogen 2.971 N/A GLN 130.A NE2 LYS 128.A O no hydrogen 2.482 N/A TYR 133.A N GLN 130.A O no hydrogen 3.358 N/A ASN 134.A ND2 GLU 155.A OE2 no hydrogen 2.812 N/A ASN 135.A ND2 GLU 136.A OE1 no hydrogen 3.112 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.753 N/A GLY 138.A N ASN 135.A OD1 no hydrogen 2.837 N/A LEU 139.A N ASN 135.A O no hydrogen 2.931 N/A TYR 141.A N ILE 137.A O no hydrogen 3.089 N/A TYR 141.A OH GLU 29.A OE1 no hydrogen 2.961 N/A THR 142.A N GLY 138.A O no hydrogen 2.719 N/A THR 142.A OG1 TYR 133.A O no hydrogen 3.475 N/A THR 142.A OG1 GLY 138.A O no hydrogen 2.395 N/A VAL 143.A N LEU 139.A O no hydrogen 2.770 N/A LEU 144.A N PRO 140.A O no hydrogen 3.171 N/A HIS 145.A N TYR 141.A O no hydrogen 2.951 N/A HIS 145.A N THR 142.A O no hydrogen 3.101 N/A HIS 145.A NE2 ALA 28.A O no hydrogen 2.907 N/A THR 149.A OG1 PRO 146.A O no hydrogen 2.546 N/A GLU 150.A N LYS 125.A O no hydrogen 2.698 N/A LYS 151.A N LYS 125.A O no hydrogen 3.293 N/A LYS 151.A NZ ASP 100.A OD2 no hydrogen 2.965 N/A LYS 151.A NZ GLU 281.A OE1 no hydrogen 3.113 N/A LEU 152.A N ASP 100.A O no hydrogen 2.820 N/A VAL 153.A N TYR 127.A O no hydrogen 2.863 N/A LEU 154.A N PHE 102.A O no hydrogen 2.661 N/A GLU 155.A N THR 129.A OG1 no hydrogen 2.915 N/A GLN 157.A NE2 ILE 194.A O no hydrogen 3.403 N/A ASP 158.A N ASP 162.A OD2 no hydrogen 2.963 N/A HIS 159.A N ASP 162.A OD2 no hydrogen 2.464 N/A ASP 162.A N HIS 159.A O no hydrogen 2.950 N/A HIS 164.A ND1 ASP 202.A OD2 no hydrogen 2.667 N/A LEU 165.A N GLY 161.A O no hydrogen 3.393 N/A LEU 166.A N ASP 162.A O no hydrogen 3.270 N/A SER 167.A N ILE 163.A O no hydrogen 2.893 N/A SER 167.A OG ILE 200.A O no hydrogen 2.899 N/A GLU 168.A N HIS 164.A O no hydrogen 3.022 N/A LEU 169.A N LEU 165.A O no hydrogen 2.866 N/A ALA 170.A N LEU 166.A O no hydrogen 2.910 N/A ARG 171.A N SER 167.A O no hydrogen 2.866 N/A ARG 171.A NH1 GLY 203.A O no hydrogen 3.529 N/A LYS 173.A N VAL 101.A O no hydrogen 2.751 N/A LYS 173.A NZ ASP 100.A OD2 no hydrogen 3.426 N/A LYS 173.A NZ GLU 281.A OE1 no hydrogen 3.255 N/A LYS 173.A NZ GLU 281.A OE2 no hydrogen 3.070 N/A ALA 175.A N LEU 208.A O no hydrogen 3.061 N/A ILE 176.A N ALA 103.A O no hydrogen 3.012 N/A VAL 177.A N LEU 210.A O no hydrogen 2.967 N/A THR 178.A N THR 105.A O no hydrogen 3.234 N/A THR 178.A OG1 THR 105.A O no hydrogen 3.314 N/A PHE 188.A N ALA 186.A O no hydrogen 2.430 N/A LYS 189.A N GLU 193.A OE1 no hydrogen 2.806 N/A ARG 191.A NH2 ASP 214.A OD1 no hydrogen 3.015 N/A GLU 193.A N ASP 190.A O no hydrogen 2.770 N/A ILE 194.A N ASP 190.A O no hydrogen 2.887 N/A ALA 195.A N ARG 191.A O no hydrogen 2.770 N/A LYS 196.A N SER 192.A O no hydrogen 2.979 N/A GLY 197.A N GLU 193.A O no hydrogen 2.811 N/A LYS 198.A N ILE 194.A O no hydrogen 3.124 N/A LYS 198.A NZ THR 105.A OG1 no hydrogen 3.142 N/A ILE 200.A N LYS 198.A O no hydrogen 2.882 N/A ASP 202.A N GLN 199.A O no hydrogen 3.047 N/A GLY 203.A N SER 167.A OG no hydrogen 2.599 N/A GLY 206.A N ASP 224.A O no hydrogen 2.908 N/A SER 207.A N ALA 204.A O no hydrogen 3.191 N/A SER 207.A OG LYS 173.A O no hydrogen 3.436 N/A SER 207.A OG ALA 204.A O no hydrogen 2.777 N/A LEU 209.A N LYS 226.A O no hydrogen 2.940 N/A LEU 210.A N ALA 175.A O no hydrogen 2.911 N/A ALA 211.A N VAL 228.A O no hydrogen 3.040 N/A ALA 213.A N PHE 230.A O no hydrogen 3.185 N/A ILE 216.A N ASP 214.A OD2 no hydrogen 2.956 N/A VAL 217.A N ASP 214.A O no hydrogen 3.255 N/A GLU 218.A N PRO 215.A O no hydrogen 3.014 N/A TYR 220.A N VAL 217.A O no hydrogen 2.730 N/A TYR 220.A OH SER 192.A O no hydrogen 3.393 N/A LEU 221.A N GLU 218.A O no hydrogen 3.133 N/A LYS 225.A NZ ASP 224.A OD1 no hydrogen 3.007 N/A LYS 226.A N SER 207.A O no hydrogen 3.016 N/A VAL 228.A N LEU 209.A O no hydrogen 3.026 N/A PHE 230.A N ALA 211.A O no hydrogen 3.261 N/A GLY 231.A N LEU 236.A O no hydrogen 2.854 N/A GLY 233.A N GLU 237.A OE2 no hydrogen 3.524 N/A ALA 234.A N GLY 231.A O no hydrogen 2.961 N/A LEU 236.A N ARG 229.A O no hydrogen 3.191 N/A THR 239.A OG1 LYS 251.A O no hydrogen 3.264 N/A ASP 240.A N LYS 251.A O no hydrogen 3.495 N/A VAL 242.A N THR 249.A O no hydrogen 2.629 N/A ARG 244.A N SER 247.A O no hydrogen 3.098 N/A ARG 244.A NH1 THR 249.A OG1 no hydrogen 2.575 N/A THR 249.A N VAL 242.A O no hydrogen 2.793 N/A THR 249.A OG1 ASP 260.A OD2 no hydrogen 2.452 N/A PHE 250.A N LEU 259.A O no hydrogen 3.120 N/A LYS 251.A N ASP 240.A O no hydrogen 2.596 N/A LYS 251.A NZ ALA 252.A O no hydrogen 2.779 N/A LYS 251.A NZ LEU 255.A O no hydrogen 2.547 N/A ASN 253.A N GLU 237.A O no hydrogen 3.227 N/A LEU 255.A N ALA 252.A O no hydrogen 2.732 N/A GLU 256.A N GLU 285.A OE1 no hydrogen 3.123 N/A GLU 256.A N GLU 285.A OE2 no hydrogen 3.235 N/A GLN 257.A N GLU 285.A OE2 no hydrogen 3.069 N/A LEU 259.A N PHE 250.A O no hydrogen 2.808 N/A LEU 261.A N LEU 248.A O no hydrogen 2.826 N/A ASN 268.A ND2 THR 111.A O no hydrogen 3.684 N/A ALA 269.A N GLY 265.A O no hydrogen 2.984 N/A THR 270.A N LYS 266.A O no hydrogen 3.057 N/A THR 270.A OG1 LYS 266.A O no hydrogen 3.017 N/A ASN 271.A N TYR 267.A O no hydrogen 2.888 N/A ALA 272.A N ASN 268.A O no hydrogen 2.882 N/A ALA 274.A N ASN 271.A O no hydrogen 2.778 N/A SER 275.A N ALA 272.A O no hydrogen 2.824 N/A SER 275.A OG ALA 272.A O no hydrogen 2.768 N/A VAL 277.A N ILE 273.A O no hydrogen 3.394 N/A ALA 278.A N ALA 274.A O no hydrogen 2.816 N/A LEU 279.A N SER 275.A O no hydrogen 2.624 N/A GLN 280.A N TYR 276.A O no hydrogen 3.102 N/A GLN 280.A NE2 TYR 276.A O no hydrogen 3.278 N/A GLU 281.A N VAL 277.A O no hydrogen 3.225 N/A GLY 282.A N LEU 279.A O no hydrogen 2.407 N/A SER 284.A N GLN 287.A OE1 no hydrogen 3.008 N/A GLN 287.A N SER 284.A OG no hydrogen 2.625 N/A ILE 288.A N SER 284.A O no hydrogen 3.037 N/A ARG 289.A N GLU 285.A O no hydrogen 2.861 N/A ARG 289.A NH1 GLU 285.A OE2 no hydrogen 3.281 N/A LEU 290.A N GLU 286.A O no hydrogen 2.598 N/A ALA 291.A N GLN 287.A O no hydrogen 2.830 N/A PHE 292.A N ILE 288.A O no hydrogen 2.782 N/A GLN 293.A N LEU 290.A O no hydrogen 2.885 N/A THR 298.A N LYS 110.A O no hydrogen 2.925 N/A THR 298.A OG1 LYS 110.A O no hydrogen 3.155 N/A LYS 305.A NZ ASN 300.A OD1 no hydrogen 2.755 N/A LYS 306.A NZ ASP 312.A OD1 no hydrogen 3.563 N/A ALA 308.A N GLU 441.A O no hydrogen 2.714 N/A ASP 312.A N ASP 422.A O no hydrogen 3.295 N/A ASP 316.A N LEU 426.A O no hydrogen 3.034 N/A TYR 318.A N ASP 316.A OD1 no hydrogen 3.199 N/A ASN 321.A N ASN 319.A O no hydrogen 2.955 N/A ALA 324.A N ASN 321.A OD1 no hydrogen 2.788 N/A LYS 325.A NZ GLU 329.A OE1 no hydrogen 2.865 N/A LYS 325.A NZ GLU 329.A OE2 no hydrogen 2.762 N/A LEU 326.A N THR 323.A O no hydrogen 2.880 N/A LEU 326.A N ALA 324.A O no hydrogen 3.134 N/A ILE 327.A N ALA 324.A O no hydrogen 2.707 N/A GLU 329.A N LYS 325.A O no hydrogen 3.259 N/A THR 330.A N LEU 326.A O no hydrogen 2.873 N/A THR 330.A OG1 LEU 326.A O no hydrogen 3.502 N/A PHE 331.A N ILE 327.A O no hydrogen 3.321 N/A SER 332.A N LEU 328.A O no hydrogen 2.819 N/A SER 332.A OG LEU 328.A O no hydrogen 3.476 N/A GLY 340.A N ASN 337.A O no hydrogen 3.274 N/A LYS 341.A NZ ASP 422.A OD2 no hydrogen 3.286 N/A LYS 342.A N ASP 371.A OD2 no hydrogen 2.408 N/A LYS 342.A NZ PHE 331.A O no hydrogen 2.524 N/A LYS 342.A NZ GLN 423.A OE1 no hydrogen 2.937 N/A ILE 343.A N GLN 423.A O no hydrogen 3.201 N/A VAL 345.A N LEU 425.A O no hydrogen 2.718 N/A LEU 346.A N ILE 374.A O no hydrogen 2.652 N/A ALA 347.A N LYS 427.A O no hydrogen 3.236 N/A LYS 349.A NZ ASN 430.A O no hydrogen 3.365 N/A SER 355.A N GLY 352.A O no hydrogen 2.973 N/A LEU 358.A N GLN 354.A O no hydrogen 2.785 N/A HIS 359.A N SER 355.A O no hydrogen 2.845 N/A HIS 359.A ND1 SER 355.A O no hydrogen 2.781 N/A ASN 360.A N VAL 356.A O no hydrogen 3.292 N/A ASN 360.A ND2 GLN 382.A OE1 no hydrogen 3.368 N/A GLN 361.A N LEU 358.A O no hydrogen 3.207 N/A LEU 363.A N GLN 361.A O no hydrogen 3.225 N/A LEU 365.A N ILE 362.A O no hydrogen 3.454 N/A LEU 370.A N SER 366.A O no hydrogen 2.821 N/A ASP 371.A N LYS 342.A O no hydrogen 2.946 N/A ILE 372.A N LYS 342.A O no hydrogen 3.066 N/A VAL 373.A N HIS 394.A O no hydrogen 3.000 N/A ILE 374.A N ALA 344.A O no hydrogen 2.730 N/A PHE 375.A N TYR 396.A O no hydrogen 2.698 N/A TYR 376.A N LEU 346.A O no hydrogen 2.730 N/A TYR 376.A OH ASP 405.A OD1 no hydrogen 2.786 N/A TYR 376.A OH ASP 405.A OD2 no hydrogen 3.066 N/A GLY 377.A N PHE 398.A O no hydrogen 2.980 N/A GLU 378.A N ASP 348.A OD1 no hydrogen 3.263 N/A GLU 378.A N ASP 348.A OD2 no hydrogen 2.908 N/A ASP 379.A N ASP 348.A OD2 no hydrogen 2.537 N/A ILE 380.A N ASP 348.A OD1 no hydrogen 2.681 N/A ALA 381.A N GLU 378.A O no hydrogen 2.825 N/A ALA 384.A N ILE 380.A O no hydrogen 3.084 N/A GLN 385.A N ALA 381.A O no hydrogen 3.150 N/A GLN 385.A NE2 GLN 389.A OE1 no hydrogen 2.633 N/A LEU 386.A N GLN 382.A O no hydrogen 3.063 N/A ALA 387.A N LEU 383.A O no hydrogen 2.933 N/A SER 388.A N ALA 384.A O no hydrogen 2.805 N/A SER 388.A OG GLN 385.A O no hydrogen 2.584 N/A GLN 389.A N GLN 385.A O no hydrogen 3.280 N/A GLN 389.A N LEU 386.A O no hydrogen 3.134 N/A HIS 394.A N PRO 391.A O no hydrogen 3.397 N/A TYR 396.A N VAL 373.A O no hydrogen 3.062 N/A PHE 398.A N PHE 375.A O no hydrogen 2.822 N/A LYS 400.A NZ ASP 405.A OD2 no hydrogen 3.275 N/A THR 401.A N GLN 404.A O no hydrogen 2.578 N/A ASP 403.A N THR 401.A OG1 no hydrogen 3.005 N/A GLN 404.A N THR 401.A OG1 no hydrogen 3.122 N/A GLN 404.A NE2 THR 401.A OG1 no hydrogen 2.482 N/A GLN 406.A N LYS 399.A O no hydrogen 3.080 N/A PHE 407.A N ASP 405.A O no hydrogen 2.577 N/A LEU 410.A N GLN 406.A O no hydrogen 2.998 N/A VAL 411.A N PHE 407.A O no hydrogen 2.869 N/A LYS 412.A N GLU 408.A O no hydrogen 3.321 N/A GLN 413.A N ASP 409.A O no hydrogen 3.119 N/A GLN 413.A NE2 GLU 416.A OE1 no hydrogen 3.529 N/A GLN 413.A NE2 SER 417.A OG no hydrogen 2.347 N/A VAL 414.A N LEU 410.A O no hydrogen 2.822 N/A LYS 415.A N VAL 411.A O no hydrogen 2.877 N/A GLU 416.A N LYS 412.A O no hydrogen 2.820 N/A SER 417.A N GLN 413.A O no hydrogen 2.670 N/A SER 417.A OG GLN 413.A O no hydrogen 2.713 N/A LEU 418.A N VAL 414.A O no hydrogen 2.580 N/A GLY 419.A N ASP 422.A OD2 no hydrogen 2.481 N/A ASP 422.A N GLY 419.A O no hydrogen 2.957 N/A GLN 423.A NE2 PRO 335.A O no hydrogen 3.478 N/A LYS 427.A N VAL 345.A O no hydrogen 3.335 N/A LYS 427.A NZ ASN 319.A O no hydrogen 2.791 N/A LEU 433.A N SER 431.A OG no hydrogen 2.975 N/A ALA 434.A N SER 431.A O no hydrogen 3.100 N/A LYS 435.A NZ ASN 432.A OD1 no hydrogen 2.686 N/A LEU 436.A N ASN 432.A O no hydrogen 2.966 N/A VAL 437.A N LEU 433.A O no hydrogen 3.238 N/A GLU 438.A N ALA 434.A O no hydrogen 3.152 N/A SER 439.A N LYS 435.A O no hydrogen 3.055 N/A LEU 440.A N LEU 436.A O no hydrogen 3.072 N/A GLU 441.A N VAL 437.A O no hydrogen 3.341 N/A ASN 442.A N GLU 438.A O no hydrogen 3.163 N/A