Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xty_5.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ALA 1.A O no hydrogen 3.284 N/A GLN 5.A N GLN 5.A OE1 no hydrogen 2.890 N/A ARG 7.A N GLU 3.A O no hydrogen 2.847 N/A LYS 8.A N GLY 4.A O no hydrogen 2.950 N/A SER 9.A N GLN 5.A O no hydrogen 2.890 N/A SER 9.A OG GLN 5.A O no hydrogen 3.031 N/A SER 9.A OG ALA 6.A O no hydrogen 3.286 N/A GLN 10.A N ARG 7.A O no hydrogen 2.755 N/A LEU 11.A N ARG 7.A O no hydrogen 2.854 N/A LEU 11.A N LYS 8.A O no hydrogen 2.739 N/A GLN 12.A N LYS 8.A O no hydrogen 2.710 N/A ARG 14.A N LEU 11.A O no hydrogen 2.773 N/A ARG 14.A NE ASP 61.A OD2 no hydrogen 3.294 N/A ARG 14.A NH2 ASP 61.A OD2 no hydrogen 2.605 N/A PHE 15.A N LEU 11.A O no hydrogen 2.782 N/A LYS 16.A NZ GLU 89.A OE2 no hydrogen 2.949 N/A GLU 17.A N ARG 13.A O no hydrogen 3.385 N/A ARG 20.A N LYS 16.A O no hydrogen 3.219 N/A GLN 21.A N PHE 18.A O no hydrogen 3.375 N/A TYR 22.A N PHE 18.A O no hydrogen 3.121 N/A VAL 24.A N THR 32.A O no hydrogen 3.206 N/A ARG 28.A N THR 26.A OG1 no hydrogen 3.136 N/A THR 29.A OG1 GLY 30.A O no hydrogen 3.168 N/A THR 32.A OG1 PHE 31.A O no hydrogen 2.593 N/A LYS 34.A N TYR 22.A O no hydrogen 3.450 N/A TYR 35.A OH ASP 56.A OD2 no hydrogen 2.694 N/A LEU 39.A N TYR 35.A O no hydrogen 2.916 N/A LYS 40.A N ARG 36.A O no hydrogen 2.913 N/A ARG 41.A N ASP 37.A O no hydrogen 2.877 N/A HIS 42.A N GLU 38.A O no hydrogen 2.880 N/A TYR 43.A N LEU 39.A O no hydrogen 2.899 N/A ASN 44.A N LYS 40.A O no hydrogen 2.933 N/A GLY 46.A N TYR 43.A O no hydrogen 2.786 N/A GLU 47.A N HIS 42.A O no hydrogen 2.849 N/A VAL 52.A N MET 107.A O no hydrogen 3.391 N/A GLU 53.A N TYR 35.A OH no hydrogen 3.317 N/A MET 54.A N LYS 109.A O no hydrogen 3.202 N/A LEU 57.A N GLU 53.A O no hydrogen 3.306 N/A ALA 58.A N MET 54.A O no hydrogen 2.925 N/A SER 59.A N GLU 55.A O no hydrogen 2.918 N/A SER 59.A OG GLU 55.A O no hydrogen 3.269 N/A SER 59.A OG ASP 56.A O no hydrogen 2.855 N/A PHE 60.A N ASP 56.A O no hydrogen 2.958 N/A ASP 61.A N LEU 57.A O no hydrogen 3.325 N/A ASP 66.A N ASP 63.A O no hydrogen 2.990 N/A TYR 67.A N ASP 63.A O no hydrogen 3.129 N/A LEU 68.A N LEU 64.A O no hydrogen 2.960 N/A TYR 69.A N ASP 66.A O no hydrogen 2.902 N/A LYS 70.A N ASP 66.A O no hydrogen 2.978 N/A LYS 70.A N TYR 67.A O no hydrogen 2.921 N/A LYS 70.A NZ ASP 66.A OD2 no hydrogen 2.719 N/A GLN 71.A N TYR 67.A O no hydrogen 2.709 N/A LEU 76.A N PRO 72.A O no hydrogen 3.099 N/A LEU 79.A N HIS 75.A O no hydrogen 2.975 N/A GLU 80.A N LEU 76.A O no hydrogen 2.882 N/A GLU 81.A N GLN 77.A O no hydrogen 2.917 N/A GLU 81.A N LEU 78.A O no hydrogen 3.264 N/A ALA 82.A N LEU 78.A O no hydrogen 2.961 N/A ALA 82.A N LEU 79.A O no hydrogen 3.194 N/A ALA 83.A N LEU 79.A O no hydrogen 2.941 N/A LYS 84.A NZ ASP 103.A OD2 no hydrogen 2.935 N/A VAL 86.A N ALA 82.A O no hydrogen 2.965 N/A ALA 87.A N ALA 83.A O no hydrogen 3.125 N/A GLU 89.A N VAL 86.A O no hydrogen 3.240 N/A THR 91.A OG1 ALA 87.A O no hydrogen 3.092 N/A ARG 94.A NH1 ASP 88.A OD1 no hydrogen 2.865 N/A ARG 94.A NH2 GLU 99.A O no hydrogen 3.477 N/A GLN 102.A N TYR 43.A OH no hydrogen 3.336 N/A GLN 105.A N TYR 48.A O no hydrogen 3.454 N/A MET 107.A N ILE 50.A O no hydrogen 3.132 N/A LYS 109.A N VAL 52.A O no hydrogen 3.083 N/A SER 115.A N LYS 130.A O no hydrogen 2.873 N/A SER 119.A N SER 116.A O no hydrogen 2.807 N/A LEU 120.A N ILE 117.A O no hydrogen 3.343 N/A LYS 121.A NZ ARG 118.A O no hydrogen 3.465 N/A MET 124.A N LYS 121.A O no hydrogen 2.807 N/A SER 126.A N TYR 241.A O no hydrogen 2.609 N/A SER 126.A OG MET 125.A O no hydrogen 2.243 N/A HIS 127.A ND1 SER 126.A O no hydrogen 2.572 N/A VAL 129.A N GLY 239.A O no hydrogen 2.959 N/A LYS 130.A NZ ALA 112.A O no hydrogen 3.365 N/A ILE 131.A N ILE 237.A O no hydrogen 2.946 N/A ILE 134.A N GLN 202.A O no hydrogen 2.851 N/A ILE 135.A N ASN 233.A O no hydrogen 3.080 N/A ILE 136.A N LYS 200.A O no hydrogen 2.876 N/A SER 139.A N THR 198.A O no hydrogen 3.126 N/A SER 139.A OG ALA 140.A O no hydrogen 3.228 N/A ARG 142.A N PHE 196.A O no hydrogen 2.955 N/A LYS 144.A NZ ARG 165.A O no hydrogen 3.176 N/A THR 146.A N LYS 192.A O no hydrogen 2.911 N/A ARG 147.A NH1 THR 160.A OG1 no hydrogen 3.418 N/A ILE 148.A N ILE 162.A O no hydrogen 2.610 N/A SER 149.A OG LYS 190.A O no hydrogen 3.222 N/A ILE 150.A N LEU 159.A O no hydrogen 3.515 N/A GLN 151.A N PHE 185.A O no hydrogen 2.948 N/A CYS 152.A N ASN 157.A O no hydrogen 2.591 N/A CYS 152.A SG SER 154.A OG no hydrogen 3.777 N/A CYS 152.A SG PRO 183.A O no hydrogen 4.024 N/A ASN 157.A ND2 ASN 178.A O no hydrogen 3.548 N/A MET 164.A N THR 146.A O no hydrogen 2.727 N/A LEU 168.A N TYR 256.A OH no hydrogen 2.920 N/A CYS 179.A SG SER 154.A OG no hydrogen 2.596 N/A TYR 184.A OH CYS 177.A O no hydrogen 3.382 N/A PHE 185.A N GLN 151.A O no hydrogen 2.929 N/A MET 187.A N SER 149.A O no hydrogen 3.382 N/A LYS 190.A N MET 187.A O no hydrogen 3.124 N/A CYS 191.A SG PRO 188.A O no hydrogen 3.544 N/A CYS 191.A SG CYS 191.A O no hydrogen 2.908 N/A LYS 192.A N ARG 147.A O no hydrogen 3.286 N/A CYS 193.A SG CYS 191.A O no hydrogen 3.420 N/A VAL 194.A N LYS 144.A O no hydrogen 3.410 N/A PHE 196.A N ARG 142.A O no hydrogen 2.911 N/A GLN 197.A NE2 SER 139.A O no hydrogen 3.101 N/A THR 198.A OG1 GLN 197.A O no hydrogen 2.566 N/A LEU 201.A N MET 217.A O no hydrogen 2.893 N/A GLN 202.A N ILE 134.A O no hydrogen 2.895 N/A GLU 203.A N ARG 215.A O no hydrogen 3.340 N/A ARG 215.A N GLU 203.A OE2 no hydrogen 2.285 N/A MET 217.A N LEU 201.A O no hydrogen 2.888 N/A TYR 224.A N GLN 105.A OE1 no hydrogen 3.049 N/A LEU 225.A N ASP 222.A O no hydrogen 3.221 N/A CYS 226.A N ASP 222.A O no hydrogen 3.122 N/A CYS 226.A SG ASP 222.A O no hydrogen 3.248 N/A ASP 227.A N GLN 197.A OE1 no hydrogen 3.384 N/A GLY 232.A N ILE 135.A O no hydrogen 3.166 N/A VAL 235.A N GLY 133.A O no hydrogen 3.501 N/A ILE 237.A N ILE 131.A O no hydrogen 2.901 N/A MET 238.A N GLY 261.A O no hydrogen 3.163 N/A ILE 240.A N ARG 258.A O no hydrogen 2.956 N/A SER 242.A N TYR 256.A O no hydrogen 2.926 N/A LYS 244.A N SER 254.A O no hydrogen 3.399 N/A LYS 245.A N LEU 168.A O no hydrogen 3.406 N/A ARG 253.A NH1 ILE 252.A O no hydrogen 3.400 N/A TYR 256.A N SER 242.A O no hydrogen 2.940 N/A ILE 257.A N GLN 218.A O no hydrogen 2.963 N/A ARG 258.A N ILE 240.A O no hydrogen 3.453 N/A LEU 260.A N MET 238.A O no hydrogen 3.042 N/A ASP 265.A N ARG 234.A O no hydrogen 3.340 N/A GLN 270.A NE2 GLU 271.A OE2 no hydrogen 3.154 N/A GLU 272.A N SER 268.A O no hydrogen 3.172 N/A GLU 272.A N PRO 269.A O no hydrogen 3.118 N/A GLU 273.A N GLN 270.A O no hydrogen 3.236 N/A PHE 275.A N GLU 272.A O no hydrogen 3.121 N/A ARG 276.A N GLU 272.A O no hydrogen 2.906 N/A ARG 277.A N GLU 273.A O no hydrogen 2.887 N/A ALA 279.A N PHE 275.A O no hydrogen 2.892 N/A ALA 280.A N ARG 276.A O no hydrogen 2.909 N/A ALA 280.A N ARG 277.A O no hydrogen 3.129 N/A LEU 281.A N ARG 277.A O no hydrogen 2.825 N/A SER 289.A OG GLU 286.A O no hydrogen 3.442 N/A LYS 290.A N GLU 286.A O no hydrogen 2.909 N/A SER 291.A N ILE 288.A O no hydrogen 2.733 N/A SER 291.A OG SER 291.A O no hydrogen 2.270 N/A SER 291.A OG ILE 475.A O no hydrogen 3.150 N/A MET 302.A N GLY 299.A O no hydrogen 3.156 N/A LYS 303.A N THR 300.A O no hydrogen 2.869 N/A LYS 303.A NZ ALA 293.A O no hydrogen 3.512 N/A LYS 303.A NZ ILE 296.A O no hydrogen 2.592 N/A LYS 304.A N THR 300.A O no hydrogen 2.319 N/A ALA 305.A N ASP 301.A O no hydrogen 2.896 N/A ALA 307.A N LYS 304.A O no hydrogen 3.168 N/A CYS 308.A N ALA 305.A O no hydrogen 2.847 N/A CYS 308.A SG LYS 304.A O no hydrogen 3.887 N/A CYS 308.A SG ALA 305.A O no hydrogen 3.552 N/A PHE 311.A N CYS 308.A O no hydrogen 2.806 N/A GLY 312.A N CYS 308.A O no hydrogen 2.774 N/A LYS 316.A NZ GLU 542.A OE2 no hydrogen 2.423 N/A GLY 321.A N LEU 318.A O no hydrogen 3.041 N/A ARG 324.A N LYS 316.A O no hydrogen 3.070 N/A ARG 325.A NH2 ASN 329.A OD1 no hydrogen 3.491 N/A LEU 330.A N VAL 432.A O no hydrogen 3.020 N/A LEU 331.A N MET 448.A O no hydrogen 3.038 N/A MET 332.A N ALA 434.A O no hydrogen 2.907 N/A LYS 340.A NZ ASP 335.A O no hydrogen 2.534 N/A SER 341.A OG THR 338.A O no hydrogen 2.826 N/A LEU 344.A N LYS 340.A O no hydrogen 2.943 N/A LYS 345.A N SER 341.A O no hydrogen 2.929 N/A PHE 346.A N GLN 342.A O no hydrogen 2.912 N/A VAL 347.A N LEU 343.A O no hydrogen 2.932 N/A GLU 348.A N LEU 344.A O no hydrogen 2.924 N/A LYS 349.A N LYS 345.A O no hydrogen 2.912 N/A CYS 350.A N PHE 346.A O no hydrogen 2.926 N/A CYS 350.A SG PHE 346.A O no hydrogen 3.742 N/A SER 351.A OG VAL 347.A O no hydrogen 3.098 N/A SER 351.A OG GLU 348.A O no hydrogen 2.489 N/A VAL 355.A N VAL 389.A O no hydrogen 2.908 N/A THR 357.A N CYS 391.A O no hydrogen 2.917 N/A LEU 362.A N ASP 402.A OD2 no hydrogen 3.152 N/A THR 363.A N ASP 402.A OD1 no hydrogen 3.439 N/A THR 363.A OG1 ASP 402.A OD1 no hydrogen 3.301 N/A SER 365.A N GLU 378.A O no hydrogen 2.912 N/A MET 367.A N ILE 376.A O no hydrogen 2.948 N/A ASP 369.A N ASN 374.A O no hydrogen 2.774 N/A SER 371.A N ASP 369.A OD1 no hydrogen 2.927 N/A SER 372.A OG ASN 374.A O no hydrogen 3.266 N/A ARG 373.A N ASP 369.A O no hydrogen 2.754 N/A ARG 373.A NE SER 372.A O no hydrogen 2.959 N/A ASN 374.A N SER 372.A OG no hydrogen 3.222 N/A ILE 376.A N MET 367.A O no hydrogen 2.894 N/A GLU 378.A N SER 365.A O no hydrogen 2.877 N/A ALA 381.A N LEU 362.A O no hydrogen 2.781 N/A MET 382.A N LEU 362.A O no hydrogen 3.472 N/A LEU 384.A N ALA 381.A O no hydrogen 2.708 N/A ALA 385.A N ALA 381.A O no hydrogen 3.073 N/A GLY 387.A N ARG 429.A O no hydrogen 2.370 N/A VAL 389.A N ILE 353.A O no hydrogen 2.886 N/A VAL 390.A N SER 431.A O no hydrogen 2.499 N/A CYS 391.A N VAL 355.A O no hydrogen 2.868 N/A CYS 391.A SG LEU 344.A O no hydrogen 3.988 N/A ILE 392.A N LEU 433.A O no hydrogen 3.133 N/A LYS 397.A N GLU 394.A O no hydrogen 2.888 N/A LYS 397.A NZ SER 358.A OG no hydrogen 2.524 N/A ARG 399.A NH2 ALA 359.A O no hydrogen 3.033 N/A ARG 403.A N ARG 399.A O no hydrogen 2.615 N/A VAL 404.A N GLU 400.A O no hydrogen 2.949 N/A ALA 405.A N ASP 401.A O no hydrogen 2.949 N/A ILE 406.A N ASP 402.A O no hydrogen 2.893 N/A HIS 407.A N ARG 403.A O no hydrogen 2.964 N/A GLU 408.A N VAL 404.A O no hydrogen 3.029 N/A ALA 409.A N ALA 405.A O no hydrogen 2.886 N/A MET 410.A N ILE 406.A O no hydrogen 2.950 N/A GLU 411.A N HIS 407.A O no hydrogen 2.989 N/A GLN 412.A N GLU 408.A O no hydrogen 2.912 N/A GLN 413.A N ALA 409.A O no hydrogen 2.775 N/A THR 414.A OG1 LEU 426.A O no hydrogen 2.634 N/A ILE 415.A N LEU 426.A O no hydrogen 2.893 N/A LYS 419.A N ILE 422.A O no hydrogen 2.896 N/A ILE 422.A N LYS 419.A O no hydrogen 2.912 N/A LEU 426.A N ILE 415.A O no hydrogen 2.890 N/A SER 428.A N GLN 413.A O no hydrogen 3.158 N/A SER 431.A OG ASP 327.A OD2 no hydrogen 2.462 N/A LEU 433.A N VAL 390.A O no hydrogen 2.913 N/A ALA 434.A N LEU 330.A O no hydrogen 2.722 N/A ALA 435.A N ILE 392.A O no hydrogen 2.992 N/A ALA 436.A N MET 332.A O no hydrogen 3.029 N/A LEU 443.A N MET 439.A O no hydrogen 3.193 N/A ARG 445.A N ILE 442.A O no hydrogen 3.312 N/A PHE 446.A N LEU 443.A O no hydrogen 3.396 N/A ILE 449.A N SER 568.A O no hydrogen 3.283 N/A PHE 450.A N LEU 331.A O no hydrogen 2.903 N/A ILE 451.A N ASP 571.A OD2 no hydrogen 3.283 N/A GLU 459.A N GLU 459.A OE2 no hydrogen 2.642 N/A ARG 460.A NE ARG 460.A O no hydrogen 3.429 N/A ASP 461.A N ASN 457.A O no hydrogen 2.434 N/A VAL 462.A N GLU 458.A O no hydrogen 2.877 N/A MET 463.A N GLU 459.A O no hydrogen 2.952 N/A LEU 464.A N ARG 460.A O no hydrogen 2.892 N/A ALA 465.A N ASP 461.A O no hydrogen 2.841 N/A LYS 466.A N VAL 462.A O no hydrogen 2.893 N/A HIS 467.A N MET 463.A O no hydrogen 2.945 N/A VAL 468.A N LEU 464.A O no hydrogen 2.910 N/A THR 470.A N LYS 466.A O no hydrogen 3.368 N/A THR 470.A OG1 HIS 467.A O no hydrogen 2.526 N/A LEU 471.A N VAL 468.A O no hydrogen 3.284 N/A HIS 472.A N VAL 468.A O no hydrogen 2.927 N/A VAL 473.A N ILE 469.A O no hydrogen 2.992 N/A SER 474.A N LEU 471.A O no hydrogen 3.257 N/A LYS 479.A N ASP 476.A O no hydrogen 3.070 N/A LEU 480.A N ASP 476.A O no hydrogen 2.572 N/A LYS 481.A N LEU 477.A O no hydrogen 2.933 N/A LYS 481.A NZ LYS 349.A O no hydrogen 2.391 N/A LYS 481.A NZ SER 351.A O no hydrogen 3.273 N/A PHE 483.A N LYS 479.A O no hydrogen 2.844 N/A PHE 483.A N LEU 480.A O no hydrogen 3.172 N/A ILE 484.A N LEU 480.A O no hydrogen 2.945 N/A ALA 485.A N LYS 481.A O no hydrogen 2.918 N/A TYR 486.A N PHE 483.A O no hydrogen 3.028 N/A CYS 487.A N PHE 483.A O no hydrogen 2.867 N/A CYS 487.A SG LYS 546.A O no hydrogen 3.223 N/A ARG 488.A N ILE 484.A O no hydrogen 2.905 N/A ARG 488.A NE LEU 310.A O no hydrogen 3.157 N/A LYS 490.A N CYS 487.A O no hydrogen 3.422 N/A LYS 490.A NZ VAL 489.A O no hydrogen 2.545 N/A ARG 494.A NH1 PRO 493.A O no hydrogen 3.389 N/A SER 496.A OG GLU 498.A OE2 no hydrogen 2.994 N/A SER 496.A OG ALA 553.A O no hydrogen 2.329 N/A GLU 498.A N GLU 498.A OE1 no hydrogen 2.739 N/A LYS 502.A N GLU 498.A O no hydrogen 2.974 N/A LEU 503.A N ALA 499.A O no hydrogen 2.917 N/A LYS 504.A N ALA 500.A O no hydrogen 2.888 N/A ARG 506.A N LYS 502.A O no hydrogen 2.971 N/A TYR 507.A N LEU 503.A O no hydrogen 2.855 N/A ILE 508.A N LYS 504.A O no hydrogen 2.919 N/A MET 510.A N ARG 506.A O no hydrogen 2.939 N/A ARG 511.A N TYR 507.A O no hydrogen 2.924 N/A ARG 511.A NH1 TYR 507.A OH no hydrogen 2.899 N/A SER 512.A N ILE 508.A O no hydrogen 2.882 N/A SER 512.A OG ILE 508.A O no hydrogen 2.464 N/A ALA 514.A N ARG 511.A O no hydrogen 2.980 N/A GLN 516.A N GLN 516.A OE1 no hydrogen 2.697 N/A HIS 517.A N GLY 513.A O no hydrogen 2.926 N/A GLU 518.A N ALA 514.A O no hydrogen 2.907 N/A ARG 519.A N ARG 515.A O no hydrogen 2.826 N/A ARG 523.A NH1 THR 577.A OG1 no hydrogen 3.397 N/A ARG 524.A N ASP 522.A O no hydrogen 2.711 N/A SER 525.A OG ARG 524.A O no hydrogen 2.470 N/A SER 526.A OG SER 525.A O no hydrogen 2.501 N/A THR 530.A N GLN 533.A OE1 no hydrogen 3.249 N/A LEU 534.A N THR 530.A O no hydrogen 3.143 N/A GLU 535.A N VAL 531.A O no hydrogen 2.933 N/A ALA 536.A N ARG 532.A O no hydrogen 2.926 N/A ILE 537.A N GLN 533.A O no hydrogen 2.902 N/A VAL 538.A N LEU 534.A O no hydrogen 3.015 N/A ARG 539.A N GLU 535.A O no hydrogen 2.956 N/A ARG 539.A NH2 GLU 535.A OE2 no hydrogen 2.658 N/A ILE 540.A N ALA 536.A O no hydrogen 2.881 N/A ILE 540.A N ILE 537.A O no hydrogen 3.120 N/A ALA 541.A N ILE 537.A O no hydrogen 2.953 N/A GLU 542.A N VAL 538.A O no hydrogen 2.993 N/A LEU 544.A N ILE 540.A O no hydrogen 2.923 N/A SER 545.A N ALA 541.A O no hydrogen 2.949 N/A SER 545.A OG GLN 550.A O no hydrogen 3.508 N/A SER 545.A OG GLN 550.A OE1 no hydrogen 2.710 N/A LYS 546.A NZ GLY 312.A O no hydrogen 2.571 N/A LYS 546.A NZ GLY 313.A O no hydrogen 2.655 N/A MET 547.A N LEU 544.A O no hydrogen 2.991 N/A LEU 549.A N LYS 546.A O no hydrogen 3.312 N/A ALA 553.A N ARG 494.A O no hydrogen 3.319 N/A GLU 555.A N THR 554.A OG1 no hydrogen 2.377 N/A ALA 561.A N ASP 557.A O no hydrogen 2.945 N/A LEU 562.A N VAL 558.A O no hydrogen 2.850 N/A ARG 563.A N GLU 559.A O no hydrogen 2.886 N/A LEU 564.A N GLU 560.A O no hydrogen 2.884 N/A PHE 565.A N ALA 561.A O no hydrogen 2.901 N/A GLN 566.A N LEU 562.A O no hydrogen 2.815 N/A VAL 567.A N ARG 563.A O no hydrogen 2.933 N/A SER 568.A N LEU 564.A O no hydrogen 2.925 N/A SER 568.A OG LEU 564.A O no hydrogen 3.486 N/A THR 569.A N PHE 565.A O no hydrogen 2.840 N/A ASP 571.A N VAL 567.A O no hydrogen 2.980 N/A ALA 573.A N THR 569.A O no hydrogen 2.906 N/A LEU 574.A N LEU 570.A O no hydrogen 2.895 N/A SER 575.A N ASP 571.A O no hydrogen 2.958 N/A SER 575.A OG ASP 571.A O no hydrogen 3.342 N/A GLY 576.A N ALA 572.A O no hydrogen 2.898 N/A