Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hs0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N HIS 24.A O no hydrogen 3.272 N/A LEU 2.A N HIS 24.A O no hydrogen 3.371 N/A TYR 3.A N SER 598.A OG no hydrogen 3.253 N/A TYR 3.A OH ASP 26.A OD2 no hydrogen 2.672 N/A THR 4.A N GLU 22.A O no hydrogen 3.008 N/A LEU 5.A N THR 596.A O no hydrogen 2.783 N/A ILE 6.A N LEU 20.A O no hydrogen 2.770 N/A THR 7.A N ALA 594.A O no hydrogen 2.926 N/A THR 7.A OG1 PRO 8.A O no hydrogen 2.980 N/A ALA 9.A N GLY 592.A O no hydrogen 2.897 N/A LEU 11.A N LEU 93.A O no hydrogen 2.862 N/A ARG 12.A N GLU 17.A OE2 no hydrogen 3.336 N/A ARG 12.A NH2 LYS 453.A O no hydrogen 2.861 N/A THR 13.A N SER 95.A O no hydrogen 3.281 N/A THR 13.A OG1 SER 98.A OG no hydrogen 3.329 N/A ASP 14.A N ILE 67.A O no hydrogen 2.973 N/A GLU 17.A N ILE 65.A O no hydrogen 2.925 N/A ILE 19.A N PRO 63.A O no hydrogen 3.141 N/A LEU 20.A N ILE 6.A O no hydrogen 2.847 N/A VAL 21.A N VAL 61.A O no hydrogen 3.035 N/A GLU 22.A N THR 4.A O no hydrogen 2.903 N/A ALA 23.A N MET 59.A O no hydrogen 3.062 N/A HIS 24.A N LEU 2.A O no hydrogen 2.803 N/A HIS 24.A ND1 TYR 445.A OH no hydrogen 2.724 N/A HIS 24.A NE2 TYR 490.A OH no hydrogen 2.799 N/A THR 28.A N ASP 26.A OD1 no hydrogen 2.853 N/A THR 28.A OG1 ASP 26.A OD1 no hydrogen 3.306 N/A LYS 30.A N MET 53.A O no hydrogen 2.787 N/A LEU 32.A N VAL 51.A O no hydrogen 2.760 N/A ASP 33.A N THR 82.A O no hydrogen 3.017 N/A ILE 34.A N THR 49.A O no hydrogen 3.171 N/A PHE 35.A N GLN 80.A O no hydrogen 3.165 N/A VAL 36.A N PHE 47.A O no hydrogen 2.910 N/A HIS 37.A N VAL 78.A O no hydrogen 2.960 N/A LYS 42.A N ASP 38.A O no hydrogen 3.197 N/A LYS 42.A NZ GLU 89.A OE1 no hydrogen 3.236 N/A LYS 44.A N ASP 38.A OD1 no hydrogen 3.454 N/A THR 45.A OG1 HIS 37.A NE2 no hydrogen 3.307 N/A LEU 46.A N VAL 36.A O no hydrogen 2.758 N/A PHE 47.A N VAL 36.A O no hydrogen 3.456 N/A THR 49.A N ILE 34.A O no hydrogen 3.091 N/A ARG 50.A NE GLN 31.A OE1 no hydrogen 3.106 N/A ARG 50.A NH2 GLN 31.A OE1 no hydrogen 3.314 N/A VAL 51.A N LEU 32.A O no hydrogen 2.923 N/A MET 53.A N LYS 30.A O no hydrogen 3.026 N/A GLY 57.A N ASN 54.A O no hydrogen 2.964 N/A GLY 58.A N PRO 55.A O no hydrogen 3.097 N/A MET 59.A N ASN 54.A O no hydrogen 3.028 N/A VAL 61.A N VAL 21.A O no hydrogen 3.075 N/A THR 62.A OG1 THR 62.A O no hydrogen 2.628 N/A ILE 65.A N GLU 17.A O no hydrogen 2.864 N/A ALA 69.A N ASP 14.A OD1 no hydrogen 3.261 N/A ALA 69.A N ASP 14.A OD2 no hydrogen 3.365 N/A ASN 74.A ND2 SER 607.A O no hydrogen 3.579 N/A VAL 77.A N VAL 92.A O no hydrogen 3.046 N/A VAL 78.A N HIS 37.A O no hydrogen 2.868 N/A VAL 79.A N LYS 90.A O no hydrogen 3.160 N/A GLN 80.A N PHE 35.A O no hydrogen 3.074 N/A VAL 81.A N LEU 88.A O no hydrogen 3.005 N/A THR 82.A N ASP 33.A O no hydrogen 3.097 N/A VAL 86.A N GLY 83.A O no hydrogen 2.978 N/A LEU 88.A N VAL 81.A O no hydrogen 3.105 N/A LYS 90.A N VAL 79.A O no hydrogen 3.341 N/A LYS 90.A NZ THR 603.A O no hydrogen 2.893 N/A VAL 92.A N VAL 77.A O no hydrogen 2.947 N/A LEU 94.A N GLN 75.A O no hydrogen 3.165 N/A SER 95.A N LEU 11.A O no hydrogen 2.846 N/A TYR 96.A OH VAL 72.A O no hydrogen 3.089 N/A GLN 97.A NE2 GLU 175.A OE1 no hydrogen 2.702 N/A SER 98.A N TYR 96.A O no hydrogen 2.909 N/A SER 98.A OG THR 13.A O no hydrogen 2.847 N/A SER 98.A OG THR 13.A OG1 no hydrogen 3.329 N/A SER 99.A OG SER 122.A OG no hydrogen 2.613 N/A SER 99.A OG TYR 170.A OH no hydrogen 2.707 N/A PHE 102.A N PHE 121.A O no hydrogen 3.008 N/A GLN 104.A N ARG 119.A O no hydrogen 2.973 N/A THR 105.A OG1 LYS 107.A O no hydrogen 3.058 N/A ASP 106.A N LEU 117.A O no hydrogen 3.374 N/A LYS 107.A N TYR 110.A OH no hydrogen 3.220 N/A TYR 110.A N ASP 182.A O no hydrogen 2.753 N/A TYR 110.A OH ASP 106.A OD1 no hydrogen 2.358 N/A TYR 110.A OH LYS 107.A O no hydrogen 3.355 N/A SER 114.A OG THR 111.A O no hydrogen 2.734 N/A VAL 116.A N TYR 153.A O no hydrogen 2.757 N/A LEU 117.A N ASP 106.A OD1 no hydrogen 3.240 N/A ARG 119.A N GLN 104.A O no hydrogen 3.003 N/A ARG 119.A NH1 GLN 104.A OE1 no hydrogen 2.840 N/A ARG 119.A NH1 LEU 544.A O no hydrogen 3.509 N/A ARG 119.A NH2 LEU 544.A O no hydrogen 2.801 N/A PHE 121.A N PHE 102.A O no hydrogen 2.907 N/A MET 123.A N PHE 100.A O no hydrogen 3.274 N/A VAL 128.A N VAL 145.A O no hydrogen 3.379 N/A ILE 129.A N LYS 169.A O no hydrogen 2.825 N/A VAL 130.A N ASN 143.A O no hydrogen 2.858 N/A GLU 131.A N VAL 167.A O no hydrogen 2.856 N/A PHE 132.A N SER 141.A O no hydrogen 2.891 N/A GLN 133.A N ARG 165.A O no hydrogen 2.894 N/A THR 134.A N ILE 138.A O no hydrogen 2.948 N/A THR 134.A OG1 GLU 136.A OE1 no hydrogen 3.208 N/A GLY 137.A N THR 134.A O no hydrogen 2.663 N/A ILE 138.A N THR 134.A OG1 no hydrogen 3.177 N/A VAL 140.A N PHE 132.A O no hydrogen 3.028 N/A SER 142.A OG GLU 131.A OE2 no hydrogen 3.353 N/A ASN 143.A N VAL 130.A O no hydrogen 3.058 N/A VAL 145.A N VAL 128.A O no hydrogen 2.712 N/A ASN 148.A N ASP 146.A O no hydrogen 2.515 N/A PHE 149.A N ASP 146.A O no hydrogen 3.121 N/A LEU 155.A N SER 114.A O no hydrogen 3.180 N/A SER 160.A OG GLU 136.A OE1 no hydrogen 3.137 N/A SER 160.A OG GLU 136.A OE2 no hydrogen 2.634 N/A GLY 162.A N VAL 183.A O no hydrogen 3.018 N/A THR 163.A OG1 ASP 182.A OD1 no hydrogen 2.679 N/A THR 163.A OG1 TYR 558.A OH no hydrogen 3.367 N/A TRP 164.A N PHE 181.A O no hydrogen 2.808 N/A TRP 164.A NE1 SER 160.A O no hydrogen 3.018 N/A ARG 165.A N GLN 133.A O no hydrogen 3.078 N/A ILE 166.A N ALA 179.A O no hydrogen 2.918 N/A VAL 167.A N GLU 131.A O no hydrogen 2.821 N/A ALA 168.A N TYR 177.A O no hydrogen 2.890 N/A LYS 169.A N ILE 129.A O no hydrogen 2.948 N/A TYR 170.A OH SER 99.A OG no hydrogen 2.707 N/A SER 173.A N TYR 170.A O no hydrogen 2.960 N/A SER 173.A OG GLU 175.A O no hydrogen 2.861 N/A ASN 176.A ND2 PRO 174.A O no hydrogen 3.419 N/A TYR 177.A N ALA 168.A O no hydrogen 2.894 N/A THR 178.A OG1 ASN 176.A OD1 no hydrogen 3.487 N/A ALA 179.A N ILE 166.A O no hydrogen 2.758 N/A PHE 181.A N TRP 164.A O no hydrogen 3.208 N/A ASP 182.A N GLY 108.A O no hydrogen 2.916 N/A VAL 183.A N GLY 162.A O no hydrogen 2.715 N/A ARG 184.A N TYR 110.A O no hydrogen 2.945 N/A SER 190.A N ASP 294.A OD2 no hydrogen 2.726 N/A SER 190.A OG ASP 294.A OD2 no hydrogen 2.624 N/A GLU 192.A N ARG 217.A O no hydrogen 2.770 N/A ARG 194.A N THR 215.A O no hydrogen 2.923 N/A GLN 196.A N SER 213.A O no hydrogen 3.004 N/A SER 198.A N HIS 211.A O no hydrogen 2.853 N/A SER 198.A OG HIS 211.A O no hydrogen 3.291 N/A LYS 200.A N GLU 199.A OE1 no hydrogen 3.359 N/A PHE 202.A N HIS 304.A O no hydrogen 2.819 N/A TYR 203.A N GLU 208.A OE1 no hydrogen 3.300 N/A ILE 204.A N VAL 306.A O no hydrogen 2.894 N/A PHE 210.A N LEU 261.A O no hydrogen 3.173 N/A HIS 211.A N SER 198.A OG no hydrogen 2.886 N/A VAL 212.A N ALA 259.A O no hydrogen 2.922 N/A SER 213.A N GLN 196.A O no hydrogen 3.074 N/A ILE 214.A N GLY 257.A O no hydrogen 2.654 N/A THR 215.A N ARG 194.A O no hydrogen 3.003 N/A THR 215.A OG1 ARG 194.A O no hydrogen 3.464 N/A ALA 216.A N GLY 255.A O no hydrogen 2.786 N/A ARG 217.A N GLU 192.A O no hydrogen 3.198 N/A ARG 217.A NE GLY 221.A O no hydrogen 3.036 N/A ARG 217.A NE GLU 223.A OE2 no hydrogen 3.040 N/A ARG 217.A NH2 GLY 221.A O no hydrogen 2.618 N/A TYR 218.A N GLU 222.A O no hydrogen 2.871 N/A LEU 219.A N SER 190.A O no hydrogen 3.166 N/A GLY 221.A N TYR 218.A O no hydrogen 3.035 N/A VAL 224.A N ALA 216.A O no hydrogen 2.885 N/A GLY 226.A N ILE 252.A O no hydrogen 2.838 N/A VAL 227.A N MET 288.A O no hydrogen 3.047 N/A ALA 228.A N ILE 250.A O no hydrogen 2.670 N/A PHE 229.A N THR 286.A O no hydrogen 2.715 N/A VAL 230.A N THR 248.A O no hydrogen 3.017 N/A LEU 231.A N SER 284.A O no hydrogen 2.921 N/A PHE 232.A N SER 246.A OG no hydrogen 3.223 N/A GLY 233.A N TYR 282.A O no hydrogen 3.000 N/A VAL 234.A N LYS 241.A O no hydrogen 2.867 N/A LYS 235.A N THR 280.A O no hydrogen 2.970 N/A LYS 240.A NZ GLU 299.A OE1 no hydrogen 2.816 N/A LYS 240.A NZ GLU 299.A OE2 no hydrogen 2.711 N/A LYS 241.A N VAL 234.A O no hydrogen 3.056 N/A LYS 241.A NZ GLU 275.A OE2 no hydrogen 2.724 N/A ILE 243.A N PHE 232.A O no hydrogen 2.889 N/A SER 246.A N ILE 243.A O no hydrogen 2.813 N/A SER 246.A OG ILE 243.A O no hydrogen 2.563 N/A LEU 247.A N PRO 244.A O no hydrogen 3.434 N/A THR 248.A N VAL 230.A O no hydrogen 2.949 N/A ILE 250.A N ALA 228.A O no hydrogen 2.781 N/A ILE 252.A N GLY 226.A O no hydrogen 3.004 N/A ILE 253.A N ASP 256.A O no hydrogen 3.137 N/A ASP 256.A N ILE 253.A O no hydrogen 2.924 N/A GLY 257.A N ILE 214.A O no hydrogen 2.746 N/A ALA 259.A N VAL 212.A O no hydrogen 3.043 N/A THR 260.A OG1 HIS 211.A ND1 no hydrogen 3.121 N/A LEU 261.A N PHE 210.A O no hydrogen 2.860 N/A ARG 263.A N ASN 209.A OD1 no hydrogen 2.766 N/A ARG 263.A NE GLU 208.A O no hydrogen 2.908 N/A ARG 263.A NH1 TYR 203.A O no hydrogen 3.268 N/A ARG 263.A NH2 TYR 203.A O no hydrogen 2.916 N/A ARG 263.A NH2 GLU 208.A O no hydrogen 3.483 N/A PHE 266.A N LYS 262.A O no hydrogen 3.092 N/A ARG 267.A N ARG 263.A O no hydrogen 2.965 N/A ARG 267.A NH2 ASN 207.A OD1 no hydrogen 2.884 N/A SER 268.A N ASP 264.A O no hydrogen 3.041 N/A SER 268.A OG ASP 264.A O no hydrogen 3.205 N/A ARG 269.A N THR 265.A O no hydrogen 3.311 N/A ARG 269.A NH1 ARG 269.A O no hydrogen 3.258 N/A PHE 270.A N PHE 266.A O no hydrogen 2.832 N/A ASN 274.A N ASN 272.A OD1 no hydrogen 3.317 N/A ASN 274.A ND2 ASN 272.A OD1 no hydrogen 2.951 N/A GLU 275.A N ASN 272.A O no hydrogen 2.873 N/A LEU 276.A N LEU 273.A O no hydrogen 3.203 N/A VAL 277.A N ASN 274.A O no hydrogen 3.234 N/A HIS 279.A N LEU 276.A O no hydrogen 3.056 N/A LEU 281.A N ILE 303.A O no hydrogen 2.552 N/A TYR 282.A N GLY 233.A O no hydrogen 2.971 N/A ALA 283.A N GLN 300.A O no hydrogen 2.832 N/A SER 284.A N LEU 231.A O no hydrogen 2.731 N/A VAL 285.A N THR 298.A O no hydrogen 3.078 N/A THR 286.A N PHE 229.A O no hydrogen 2.884 N/A VAL 287.A N VAL 296.A O no hydrogen 3.008 N/A MET 288.A N VAL 227.A O no hydrogen 3.013 N/A THR 289.A N ASP 294.A O no hydrogen 3.155 N/A THR 289.A OG1 SER 293.A OG no hydrogen 3.127 N/A GLU 290.A N GLU 225.A O no hydrogen 3.015 N/A SER 291.A OG SER 293.A OG no hydrogen 3.065 N/A GLY 292.A N THR 289.A O no hydrogen 2.927 N/A SER 293.A OG THR 289.A OG1 no hydrogen 3.127 N/A SER 293.A OG SER 291.A OG no hydrogen 3.065 N/A MET 295.A N ASP 294.A OD1 no hydrogen 2.736 N/A VAL 296.A N VAL 287.A O no hydrogen 2.946 N/A THR 298.A N VAL 285.A O no hydrogen 2.896 N/A GLN 300.A N ALA 283.A O no hydrogen 2.817 N/A GLN 300.A NE2 SER 301.A O no hydrogen 2.907 N/A ILE 303.A N LEU 281.A O no hydrogen 3.334 N/A ILE 305.A N HIS 279.A O no hydrogen 3.074 N/A VAL 306.A N PHE 202.A O no hydrogen 2.874 N/A SER 308.A OG ARG 391.A O no hydrogen 2.717 N/A TYR 310.A N SER 308.A OG no hydrogen 3.230 N/A GLN 311.A N THR 334.A O no hydrogen 2.953 N/A HIS 313.A N TYR 332.A O no hydrogen 2.744 N/A HIS 313.A NE2 THR 334.A OG1 no hydrogen 3.198 N/A THR 317.A N PHE 314.A O no hydrogen 3.468 N/A THR 317.A OG1 TYR 327.A OH no hydrogen 2.995 N/A THR 317.A OG1 GLU 328.A O no hydrogen 3.228 N/A LYS 319.A NZ PHE 314.A O no hydrogen 3.108 N/A PHE 321.A N ILE 400.A O no hydrogen 3.183 N/A LYS 322.A NZ HIS 413.A ND1 no hydrogen 3.390 N/A LYS 322.A NZ ASP 501.A OD1 no hydrogen 2.789 N/A LYS 322.A NZ ASP 501.A OD2 no hydrogen 3.403 N/A MET 325.A N LYS 322.A O no hydrogen 2.921 N/A TYR 327.A N LEU 367.A O no hydrogen 3.362 N/A TYR 327.A OH PRO 318.A O no hydrogen 2.430 N/A LEU 329.A N LEU 365.A O no hydrogen 2.976 N/A THR 330.A N THR 317.A OG1 no hydrogen 3.089 N/A VAL 331.A N ALA 363.A O no hydrogen 2.912 N/A TYR 332.A N HIS 313.A O no hydrogen 3.226 N/A VAL 333.A N GLY 361.A O no hydrogen 2.894 N/A THR 334.A N GLN 311.A O no hydrogen 2.952 N/A THR 334.A OG1 GLN 311.A OE1 no hydrogen 3.493 N/A THR 334.A OG1 HIS 313.A NE2 no hydrogen 3.198 N/A THR 334.A OG1 ASN 335.A O no hydrogen 3.186 N/A ASN 335.A N SER 339.A O no hydrogen 2.815 N/A ASN 335.A ND2 SER 339.A OG no hydrogen 3.229 N/A GLY 338.A N ASN 335.A O no hydrogen 2.976 N/A SER 339.A N ASP 337.A OD1 no hydrogen 3.016 N/A SER 339.A OG ASP 337.A OD1 no hydrogen 2.724 N/A ALA 341.A N VAL 333.A O no hydrogen 3.247 N/A HIS 343.A N THR 357.A O no hydrogen 3.220 N/A VAL 344.A N THR 357.A OG1 no hydrogen 2.994 N/A VAL 346.A N GLY 355.A O no hydrogen 2.660 N/A VAL 347.A N ARG 381.A O no hydrogen 3.034 N/A SER 348.A N SER 353.A O no hydrogen 2.875 N/A SER 348.A OG THR 379.A O no hydrogen 3.305 N/A PHE 351.A N SER 348.A O no hydrogen 2.909 N/A HIS 352.A N GLU 349.A O no hydrogen 3.497 N/A SER 353.A N SER 348.A O no hydrogen 3.457 N/A SER 353.A OG ILE 366.A O no hydrogen 3.135 N/A GLY 355.A N VAL 346.A O no hydrogen 3.051 N/A THR 357.A N VAL 344.A O no hydrogen 3.085 N/A THR 357.A OG1 ALA 341.A O no hydrogen 2.801 N/A THR 357.A OG1 VAL 344.A O no hydrogen 3.443 N/A LEU 358.A N THR 362.A O no hydrogen 3.012 N/A SER 359.A N GLU 420.A OE2 no hydrogen 2.831 N/A SER 359.A OG GLU 420.A OE2 no hydrogen 2.729 N/A GLY 361.A N LEU 358.A O no hydrogen 2.790 N/A THR 362.A OG1 ASP 360.A OD1 no hydrogen 2.640 N/A THR 362.A OG1 ASP 360.A OD2 no hydrogen 3.283 N/A ALA 363.A N VAL 331.A O no hydrogen 2.950 N/A LYS 364.A NZ ILE 416.A O no hydrogen 2.840 N/A LEU 365.A N LEU 329.A O no hydrogen 2.768 N/A LEU 367.A N TYR 327.A O no hydrogen 2.912 N/A ALA 373.A N PRO 370.A O no hydrogen 3.329 N/A GLN 374.A NE2 GLN 403.A OE1 no hydrogen 3.328 N/A LEU 376.A N ALA 399.A O no hydrogen 2.963 N/A ILE 378.A N MET 397.A O no hydrogen 2.909 N/A THR 379.A OG1 SER 396.A OG no hydrogen 2.688 N/A VAL 380.A N LYS 395.A O no hydrogen 3.202 N/A ARG 381.A N VAL 347.A O no hydrogen 3.201 N/A ARG 381.A NE GLU 349.A OE2 no hydrogen 3.137 N/A ARG 381.A NH1 THR 382.A O no hydrogen 2.808 N/A ARG 381.A NH1 ASN 383.A OD1 no hydrogen 3.225 N/A ARG 381.A NH2 GLU 349.A OE2 no hydrogen 3.083 N/A THR 382.A N ALA 393.A O no hydrogen 3.024 N/A THR 382.A OG1 GLN 392.A OE1 no hydrogen 3.237 N/A THR 382.A OG1 ALA 393.A O no hydrogen 3.495 N/A ASN 383.A N PRO 345.A O no hydrogen 2.852 N/A HIS 384.A N GLN 392.A OE1 no hydrogen 3.260 N/A ASP 386.A N HIS 384.A ND1 no hydrogen 3.349 N/A ARG 391.A N PRO 388.A O no hydrogen 3.101 N/A ARG 391.A NH1 ASP 205.A OD1 no hydrogen 2.862 N/A ARG 391.A NH1 ALA 307.A O no hydrogen 3.505 N/A ARG 391.A NH2 ASP 205.A OD1 no hydrogen 3.270 N/A GLN 392.A N ARG 389.A O no hydrogen 3.028 N/A GLN 392.A NE2 HIS 384.A O no hydrogen 3.257 N/A ALA 393.A N THR 382.A OG1 no hydrogen 2.707 N/A LYS 395.A N VAL 380.A O no hydrogen 3.177 N/A SER 396.A OG THR 379.A OG1 no hydrogen 2.688 N/A MET 397.A N ILE 378.A O no hydrogen 3.041 N/A ALA 399.A N LEU 376.A O no hydrogen 2.712 N/A ILE 400.A N LYS 319.A O no hydrogen 3.140 N/A TYR 402.A N PHE 321.A O no hydrogen 3.197 N/A GLN 403.A N GLN 582.A O no hydrogen 3.103 N/A GLY 407.A N THR 404.A O no hydrogen 3.149 N/A SER 408.A N GLN 405.A O no hydrogen 3.392 N/A SER 408.A OG GLN 405.A O no hydrogen 3.473 N/A SER 408.A OG GLU 497.A OE2 no hydrogen 2.259 N/A ASN 410.A ND2 GLU 497.A OE1 no hydrogen 2.994 N/A TYR 411.A N LYS 434.A O no hydrogen 3.063 N/A HIS 413.A N ASN 432.A O no hydrogen 3.032 N/A VAL 414.A N ASP 501.A OD2 no hydrogen 3.025 N/A ALA 415.A N ASN 430.A O no hydrogen 3.241 N/A LYS 422.A N ASP 425.A OD2 no hydrogen 3.116 N/A GLY 424.A N ILE 477.A O no hydrogen 3.108 N/A ASP 425.A N LYS 422.A O no hydrogen 3.104 N/A LEU 427.A N LEU 475.A O no hydrogen 2.806 N/A VAL 429.A N MET 473.A O no hydrogen 2.837 N/A ASN 430.A N ALA 415.A O no hydrogen 3.274 N/A ASN 430.A ND2 ALA 415.A O no hydrogen 3.673 N/A PHE 431.A N VAL 471.A O no hydrogen 2.813 N/A ASN 432.A N HIS 413.A O no hydrogen 2.959 N/A VAL 433.A N ASN 469.A O no hydrogen 3.068 N/A ASN 436.A N ASN 410.A OD1 no hydrogen 2.971 N/A ASN 438.A N ASN 436.A OD1 no hydrogen 3.374 N/A LEU 440.A N ASN 436.A O no hydrogen 2.665 N/A GLN 442.A N SER 439.A O no hydrogen 3.025 N/A TYR 445.A OH HIS 24.A ND1 no hydrogen 2.724 N/A PHE 446.A N GLN 462.A O no hydrogen 2.774 N/A THR 447.A N TYR 490.A O no hydrogen 2.856 N/A THR 447.A OG1 GLU 22.A OE1 no hydrogen 3.521 N/A THR 447.A OG1 GLU 22.A OE2 no hydrogen 2.894 N/A TYR 448.A N GLY 460.A O no hydrogen 2.880 N/A LEU 449.A N VAL 488.A O no hydrogen 2.635 N/A ILE 450.A N LYS 458.A O no hydrogen 2.664 N/A LEU 451.A N ARG 486.A O no hydrogen 2.788 N/A ASN 452.A N LYS 455.A O no hydrogen 2.898 N/A LYS 453.A NZ ASN 452.A OD1 no hydrogen 3.016 N/A LYS 453.A NZ ILE 482.A O no hydrogen 3.165 N/A LYS 455.A N ASN 452.A O no hydrogen 3.043 N/A LYS 455.A NZ THR 15.A OG1 no hydrogen 2.803 N/A PHE 457.A N ILE 450.A O no hydrogen 2.815 N/A LYS 458.A N ILE 450.A O no hydrogen 3.294 N/A GLY 460.A N TYR 448.A O no hydrogen 2.907 N/A ARG 461.A NE GLU 22.A OE2 no hydrogen 3.053 N/A ARG 461.A NE THR 447.A OG1 no hydrogen 3.340 N/A ARG 461.A NH1 GLY 58.A O no hydrogen 3.039 N/A ARG 461.A NH2 GLU 22.A OE2 no hydrogen 2.942 N/A ARG 461.A NH2 GLY 58.A O no hydrogen 3.509 N/A GLN 462.A N PHE 446.A O no hydrogen 2.917 N/A ARG 464.A NE GLN 468.A O no hydrogen 2.639 N/A ARG 464.A NH1 LEU 440.A O no hydrogen 2.843 N/A ARG 464.A NH1 ILE 443.A O no hydrogen 3.124 N/A ARG 464.A NH2 LEU 440.A O no hydrogen 3.251 N/A GLN 468.A N ARG 465.A O no hydrogen 3.165 N/A VAL 471.A N PHE 431.A O no hydrogen 3.229 N/A THR 472.A OG1 ASN 430.A OD1 no hydrogen 2.682 N/A MET 473.A N VAL 429.A O no hydrogen 2.847 N/A ASN 474.A ND2 ASN 426.A OD1 no hydrogen 3.505 N/A LEU 475.A N LEU 427.A O no hydrogen 3.029 N/A HIS 476.A ND1 ASN 426.A OD1 no hydrogen 3.189 N/A ILE 477.A N ASP 425.A O no hydrogen 3.139 N/A THR 478.A OG1 ASP 480.A OD2 no hydrogen 3.239 N/A LEU 481.A N THR 478.A O no hydrogen 2.796 N/A ILE 482.A N PRO 479.A O no hydrogen 3.299 N/A SER 484.A OG GLU 570.A OE1 no hydrogen 3.477 N/A SER 484.A OG GLU 570.A OE2 no hydrogen 2.707 N/A PHE 485.A N VAL 505.A O no hydrogen 2.853 N/A ARG 486.A N LEU 451.A O no hydrogen 2.868 N/A ARG 486.A NH1 ASP 573.A OD2 no hydrogen 2.684 N/A ARG 486.A NH2 THR 577.A O no hydrogen 2.515 N/A PHE 487.A N VAL 503.A O no hydrogen 2.952 N/A VAL 488.A N LEU 449.A O no hydrogen 2.931 N/A ALA 489.A N ASP 501.A O no hydrogen 2.914 N/A TYR 490.A N THR 447.A O no hydrogen 2.819 N/A TYR 490.A OH GLU 22.A OE1 no hydrogen 2.422 N/A TYR 490.A OH HIS 24.A NE2 no hydrogen 2.799 N/A TYR 491.A N VAL 499.A O no hydrogen 3.083 N/A TYR 491.A OH TYR 411.A O no hydrogen 3.025 N/A VAL 493.A N GLU 497.A O no hydrogen 2.935 N/A ASN 496.A N VAL 493.A O no hydrogen 3.269 N/A GLU 497.A N VAL 493.A O no hydrogen 3.083 N/A ILE 498.A N GLN 405.A OE1 no hydrogen 3.112 N/A VAL 499.A N TYR 491.A O no hydrogen 3.012 N/A ALA 500.A N TYR 402.A OH no hydrogen 3.377 N/A ASP 501.A N ALA 489.A O no hydrogen 2.945 N/A VAL 503.A N PHE 487.A O no hydrogen 2.918 N/A VAL 505.A N PHE 485.A O no hydrogen 2.795 N/A VAL 507.A N PRO 483.A O no hydrogen 3.043 N/A LYS 508.A N ILE 421.A O no hydrogen 2.843 N/A THR 510.A OG1 CYS 511.A O no hydrogen 2.853 N/A CYS 511.A SG GLN 562.A OE1 no hydrogen 3.067 N/A THR 514.A N ASP 537.A OD1 no hydrogen 3.263 N/A THR 514.A N ASP 537.A OD2 no hydrogen 3.177 N/A VAL 516.A N GLU 535.A O no hydrogen 2.902 N/A LYS 518.A N LYS 533.A O no hydrogen 3.051 N/A LYS 533.A N LYS 518.A O no hydrogen 2.926 N/A GLU 535.A N VAL 516.A O no hydrogen 3.019 N/A ALA 540.A N ASP 537.A O no hydrogen 3.057 N/A ALA 550.A N ASP 548.A OD1 no hydrogen 2.716 N/A VAL 551.A N ASP 548.A O no hydrogen 2.834 N/A TYR 552.A N ASP 548.A O no hydrogen 3.336 N/A VAL 553.A N LYS 549.A O no hydrogen 3.353 N/A LEU 554.A N VAL 551.A O no hydrogen 2.729 N/A ASN 555.A ND2 GLY 108.A O no hydrogen 3.417 N/A ASN 555.A ND2 ASP 182.A OD2 no hydrogen 3.314 N/A TYR 558.A N ASN 555.A O no hydrogen 3.151 N/A TYR 558.A OH THR 163.A OG1 no hydrogen 3.367 N/A TYR 558.A OH ASP 182.A OD1 no hydrogen 2.998 N/A LYS 559.A N ASP 556.A O no hydrogen 3.125 N/A LYS 559.A NZ ILE 560.A O no hydrogen 3.197 N/A LYS 564.A N SER 561.A OG no hydrogen 3.230 N/A ILE 565.A N SER 561.A O no hydrogen 3.231 N/A TRP 566.A N GLN 562.A O no hydrogen 3.071 N/A TRP 566.A NE1 THR 510.A O no hydrogen 2.667 N/A ASP 567.A N ALA 563.A O no hydrogen 2.955 N/A THR 568.A N LYS 564.A O no hydrogen 3.007 N/A THR 568.A OG1 LYS 564.A O no hydrogen 3.066 N/A ILE 569.A N ILE 565.A O no hydrogen 3.047 N/A GLU 570.A N TRP 566.A O no hydrogen 2.886 N/A LYS 571.A N ASP 567.A O no hydrogen 3.280 N/A LYS 571.A NZ ASP 567.A OD2 no hydrogen 3.342 N/A SER 572.A N ILE 569.A O no hydrogen 3.052 N/A SER 572.A OG THR 568.A O no hydrogen 3.055 N/A GLY 575.A N ASP 573.A OD1 no hydrogen 3.352 N/A CYS 576.A N ASP 590.A O no hydrogen 3.080 N/A THR 577.A OG1 ASP 590.A OD2 no hydrogen 3.137 N/A SER 580.A N SER 502.A O no hydrogen 3.271 N/A SER 580.A OG GLY 581.A O no hydrogen 3.349 N/A GLN 582.A NE2 ALA 401.A O no hydrogen 3.109 N/A ASN 584.A ND2 ILE 498.A O no hydrogen 3.187 N/A GLY 586.A N ASN 583.A OD1 no hydrogen 2.635 N/A VAL 587.A N ASN 583.A O no hydrogen 3.434 N/A GLU 589.A N LEU 585.A O no hydrogen 2.883 N/A ASP 590.A N GLY 586.A O no hydrogen 2.753 N/A ALA 591.A N VAL 587.A O no hydrogen 3.046 N/A ALA 591.A N PHE 588.A O no hydrogen 2.958 N/A GLY 592.A N GLU 589.A O no hydrogen 3.209 N/A LEU 593.A N PHE 588.A O no hydrogen 3.000 N/A ALA 594.A N THR 7.A O no hydrogen 2.576 N/A LEU 595.A N THR 603.A OG1 no hydrogen 3.335 N/A THR 596.A N LEU 5.A O no hydrogen 3.093 N/A THR 596.A OG1 GLU 89.A O no hydrogen 3.297 N/A THR 596.A OG1 ASN 602.A OD1 no hydrogen 2.999 N/A THR 597.A OG1 THR 599.A OG1 no hydrogen 3.156 N/A THR 597.A OG1 LEU 601.A O no hydrogen 3.509 N/A SER 598.A N TYR 3.A O no hydrogen 2.958 N/A SER 598.A OG ALA 1.A O no hydrogen 3.536 N/A THR 599.A OG1 THR 597.A OG1 no hydrogen 3.156 N/A THR 603.A N LEU 595.A O no hydrogen 3.094 N/A LYS 604.A N GLU 589.A OE2 no hydrogen 3.128 N/A GLN 605.A NE2 VAL 91.A O no hydrogen 2.882 N/A CYS 611.A SG PHE 574.A O no hydrogen 3.945 N/A GLN 613.A N GLN 613.A OE1 no hydrogen 3.170 N/A