Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wsx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASN 476.A O no hydrogen 3.074 N/A TYR 5.A N GLN 474.A O no hydrogen 2.950 N/A TYR 5.A OH TYR 48.A O no hydrogen 2.774 N/A VAL 8.A N ILE 472.A O no hydrogen 3.103 N/A LEU 10.A N TRP 470.A O no hydrogen 2.778 N/A HIS 14.A N ASP 12.A OD1 no hydrogen 3.042 N/A HIS 14.A ND1 ASP 12.A OD1 no hydrogen 2.752 N/A HIS 14.A ND1 ASP 12.A OD2 no hydrogen 2.852 N/A GLN 16.A N ARG 34.A O no hydrogen 2.804 N/A VAL 18.A N LEU 32.A O no hydrogen 2.902 N/A HIS 20.A N VAL 30.A O no hydrogen 2.945 N/A TRP 21.A NE1 THR 462.A OG1 no hydrogen 2.782 N/A ALA 22.A N VAL 28.A O no hydrogen 2.834 N/A ASN 27.A ND2 TYR 46.A O no hydrogen 2.482 N/A VAL 28.A N SER 26.A OG no hydrogen 3.269 N/A ILE 29.A N SER 45.A O no hydrogen 3.092 N/A VAL 30.A N HIS 20.A O no hydrogen 2.920 N/A ALA 31.A N TYR 43.A O no hydrogen 2.719 N/A LEU 32.A N VAL 18.A O no hydrogen 2.913 N/A ALA 33.A N ASP 41.A O no hydrogen 2.919 N/A ARG 34.A N GLN 16.A O no hydrogen 3.059 N/A ARG 34.A NH1 ALA 72.A O no hydrogen 2.639 N/A ARG 34.A NH2 GLN 16.A OE1 no hydrogen 3.494 N/A SER 39.A N ASP 35.A OD2 no hydrogen 2.959 N/A SER 39.A OG HIS 14.A NE2 no hydrogen 3.181 N/A ASP 41.A N ALA 33.A O no hydrogen 2.967 N/A VAL 42.A N SER 56.A OG no hydrogen 2.984 N/A TYR 43.A N ALA 31.A O no hydrogen 2.834 N/A TYR 43.A OH ASP 12.A OD2 no hydrogen 2.524 N/A VAL 44.A N LYS 53.A O no hydrogen 3.060 N/A SER 45.A N ILE 29.A O no hydrogen 2.776 N/A SER 45.A OG ASP 47.A OD1 no hydrogen 2.666 N/A SER 45.A OG SER 51.A O no hydrogen 2.912 N/A TYR 46.A OH PHE 100.A O no hydrogen 2.417 N/A ASP 47.A N SER 45.A OG no hydrogen 3.244 N/A TYR 48.A N ASN 27.A O no hydrogen 2.929 N/A GLY 49.A N SER 45.A OG no hydrogen 2.878 N/A LYS 50.A N ASP 47.A O no hydrogen 3.010 N/A LYS 50.A NZ ASP 47.A O no hydrogen 3.400 N/A SER 51.A N ASP 47.A OD1 no hydrogen 2.813 N/A SER 51.A OG ASP 47.A OD2 no hydrogen 2.492 N/A LYS 53.A N VAL 44.A O no hydrogen 2.857 N/A ILE 55.A N VAL 42.A O no hydrogen 2.876 N/A SER 56.A OG ASP 41.A OD1 no hydrogen 2.773 N/A LYS 58.A N ILE 55.A O no hydrogen 3.033 N/A LYS 58.A NZ CYS 101.A O no hydrogen 3.390 N/A LYS 58.A NZ ASN 102.A O no hydrogen 3.013 N/A LEU 59.A N SER 56.A O no hydrogen 2.762 N/A ASN 60.A ND2 ASP 57.A O no hydrogen 3.013 N/A GLY 62.A N ASN 60.A OD1 no hydrogen 2.871 N/A ASN 65.A N GLY 62.A O no hydrogen 3.291 N/A SER 67.A N ASN 65.A OD1 no hydrogen 3.313 N/A SER 67.A OG ASN 65.A OD1 no hydrogen 2.586 N/A VAL 70.A N ASP 88.A OD1 no hydrogen 2.927 N/A ILE 71.A N SER 40.A OG no hydrogen 2.988 N/A ALA 72.A N ALA 87.A O no hydrogen 2.983 N/A PHE 74.A N GLN 73.A OE1 no hydrogen 2.999 N/A TYR 75.A N ILE 85.A O no hydrogen 2.883 N/A HIS 76.A NE2 ASN 81.A O no hydrogen 2.758 N/A SER 77.A N ARG 83.A O no hydrogen 3.172 N/A ALA 79.A N SER 77.A OG no hydrogen 3.103 N/A LYS 82.A N ASP 80.A OD1 no hydrogen 2.969 N/A LYS 82.A NZ ASP 80.A OD2 no hydrogen 3.314 N/A ARG 83.A N ASP 80.A O no hydrogen 3.181 N/A ARG 83.A NE ASP 80.A OD2 no hydrogen 3.230 N/A ARG 83.A NH1 ASN 124.A OD1 no hydrogen 2.745 N/A ARG 83.A NH2 ASN 124.A OD1 no hydrogen 3.444 N/A TYR 84.A N THR 97.A O no hydrogen 3.173 N/A ILE 85.A N TYR 75.A O no hydrogen 2.969 N/A PHE 86.A N TRP 95.A O no hydrogen 2.859 N/A ALA 87.A N GLN 73.A O no hydrogen 3.066 N/A ASP 88.A N TYR 93.A O no hydrogen 3.080 N/A ALA 89.A N VAL 70.A O no hydrogen 2.617 N/A TYR 90.A N ASP 88.A OD2 no hydrogen 2.713 N/A TYR 90.A OH PRO 37.A O no hydrogen 2.532 N/A ALA 91.A N ASP 88.A OD2 no hydrogen 2.734 N/A LEU 94.A N PHE 107.A O no hydrogen 2.859 N/A TRP 95.A N PHE 86.A O no hydrogen 2.920 N/A TRP 95.A NE1 ASN 60.A O no hydrogen 2.851 N/A ILE 96.A N GLN 105.A O no hydrogen 2.933 N/A THR 97.A N TYR 84.A O no hydrogen 3.010 N/A THR 97.A OG1 ASP 99.A OD1 no hydrogen 2.708 N/A THR 97.A OG1 THR 103.A O no hydrogen 2.859 N/A ASP 99.A N THR 97.A OG1 no hydrogen 3.141 N/A PHE 100.A N LYS 82.A O no hydrogen 2.856 N/A CYS 101.A N THR 97.A OG1 no hydrogen 2.927 N/A ASN 102.A N ASP 99.A O no hydrogen 3.147 N/A THR 103.A N ASP 99.A OD1 no hydrogen 2.917 N/A THR 103.A OG1 ASP 99.A OD2 no hydrogen 2.972 N/A GLN 105.A N ILE 96.A O no hydrogen 2.961 N/A PHE 107.A N LEU 94.A O no hydrogen 2.703 N/A ILE 109.A N GLN 92.A O no hydrogen 2.818 N/A ARG 112.A NH1 ALA 89.A O no hydrogen 2.954 N/A ALA 114.A N ARG 112.A O no hydrogen 3.019 N/A LEU 116.A N TYR 75.A OH no hydrogen 3.428 N/A LEU 117.A N LEU 127.A O no hydrogen 2.775 N/A HIS 119.A N LEU 125.A O no hydrogen 3.059 N/A LYS 121.A N HIS 119.A ND1 no hydrogen 3.094 N/A ALA 122.A N HIS 119.A ND1 no hydrogen 3.112 N/A LEU 125.A N ALA 122.A O no hydrogen 3.037 N/A LEU 126.A N SER 141.A O no hydrogen 2.927 N/A LEU 127.A N LEU 117.A O no hydrogen 3.044 N/A GLY 128.A N TRP 139.A O no hydrogen 2.679 N/A PHE 129.A N ASP 115.A O no hydrogen 3.038 N/A ASP 130.A N GLN 137.A O no hydrogen 3.225 N/A SER 132.A OG ASP 130.A OD1 no hydrogen 2.863 N/A LYS 136.A NZ HIS 133.A O no hydrogen 2.978 N/A GLN 137.A NE2 GLU 153.A OE2 no hydrogen 3.533 N/A LEU 138.A N GLN 152.A O no hydrogen 2.684 N/A TRP 139.A N GLY 128.A O no hydrogen 2.706 N/A LYS 140.A N ILE 149.A O no hydrogen 2.808 N/A SER 141.A N LEU 126.A O no hydrogen 3.003 N/A SER 141.A OG ASP 143.A OD1 no hydrogen 3.046 N/A SER 141.A OG THR 147.A O no hydrogen 2.801 N/A ASP 143.A N SER 141.A OG no hydrogen 3.386 N/A PHE 144.A N ASN 124.A O no hydrogen 2.966 N/A GLY 145.A N SER 141.A OG no hydrogen 2.853 N/A GLN 146.A N ASP 143.A OD1 no hydrogen 2.846 N/A THR 147.A N ASP 143.A OD1 no hydrogen 2.818 N/A THR 147.A OG1 ASP 143.A OD2 no hydrogen 2.632 N/A TRP 148.A NE1 GLY 145.A O no hydrogen 3.058 N/A ILE 149.A N LYS 140.A O no hydrogen 2.846 N/A ILE 151.A N LEU 138.A O no hydrogen 2.895 N/A GLN 152.A N LEU 138.A O no hydrogen 3.468 N/A GLN 152.A NE2 ILE 151.A O no hydrogen 2.746 N/A HIS 154.A N ASN 135.A O no hydrogen 3.112 N/A VAL 155.A N LYS 136.A O no hydrogen 2.910 N/A LYS 156.A N GLU 174.A O no hydrogen 2.791 N/A LYS 156.A NZ ARG 205.A O no hydrogen 2.809 N/A SER 157.A N GLU 174.A O no hydrogen 3.086 N/A SER 159.A N TYR 172.A O no hydrogen 2.836 N/A SER 159.A OG TRP 160.A O no hydrogen 2.816 N/A TRP 160.A NE1 LEU 117.A O no hydrogen 3.043 N/A GLY 161.A N THR 170.A O no hydrogen 2.773 N/A ILE 162.A N ASP 166.A OD2 no hydrogen 2.671 N/A ASP 166.A N ILE 162.A O no hydrogen 2.776 N/A THR 170.A N LYS 167.A O no hydrogen 3.360 N/A THR 170.A OG1 LYS 167.A O no hydrogen 2.711 N/A ILE 171.A N SER 187.A O no hydrogen 2.885 N/A TYR 172.A N SER 159.A O no hydrogen 2.783 N/A TYR 172.A OH ASP 166.A OD1 no hydrogen 2.671 N/A ILE 173.A N PHE 185.A O no hydrogen 2.938 N/A GLU 174.A N SER 157.A O no hydrogen 2.841 N/A ARG 175.A NH1 GLN 152.A OE1 no hydrogen 2.637 N/A HIS 176.A N HIS 154.A O no hydrogen 2.859 N/A GLY 180.A N GLU 177.A O no hydrogen 2.962 N/A TYR 181.A N SER 179.A OG no hydrogen 3.130 N/A SER 182.A N VAL 204.A O no hydrogen 2.935 N/A SER 182.A OG ARG 175.A O no hydrogen 2.590 N/A VAL 184.A N LEU 201.A O no hydrogen 2.946 N/A PHE 185.A N ILE 173.A O no hydrogen 2.862 N/A ARG 186.A N GLU 198.A O no hydrogen 2.756 N/A ARG 186.A NH1 TYR 172.A OH no hydrogen 2.839 N/A ARG 186.A NH2 GLU 198.A OE1 no hydrogen 2.830 N/A SER 187.A N ILE 171.A O no hydrogen 3.019 N/A SER 187.A OG ASP 189.A OD1 no hydrogen 3.145 N/A SER 187.A OG ASN 196.A O no hydrogen 3.505 N/A THR 188.A N ASN 196.A O no hydrogen 3.041 N/A ASP 189.A N SER 187.A OG no hydrogen 3.162 N/A PHE 191.A N SER 187.A OG no hydrogen 2.932 N/A GLN 192.A N ASP 189.A OD1 no hydrogen 3.126 N/A GLN 192.A NE2 PHE 190.A O no hydrogen 2.936 N/A SER 193.A OG ASP 189.A OD2 no hydrogen 2.463 N/A SER 193.A OG ASN 196.A OD1 no hydrogen 3.556 N/A GLU 198.A N ARG 186.A O no hydrogen 2.755 N/A ILE 200.A N VAL 184.A O no hydrogen 2.814 N/A VAL 204.A N SER 182.A O no hydrogen 2.798 N/A ARG 205.A N THR 217.A O no hydrogen 2.812 N/A ARG 205.A NH1 GLY 180.A O no hydrogen 2.851 N/A ASP 206.A N THR 217.A OG1 no hydrogen 3.063 N/A GLN 208.A N PHE 215.A O no hydrogen 2.878 N/A GLN 208.A NE2 VAL 305.A O no hydrogen 2.813 N/A ARG 210.A N TYR 213.A O no hydrogen 2.870 N/A LYS 212.A NZ ASP 259.A OD1 no hydrogen 2.906 N/A TYR 213.A N ARG 210.A O no hydrogen 3.027 N/A TYR 213.A OH ALA 279.A O no hydrogen 2.637 N/A MET 214.A N SER 231.A O no hydrogen 2.967 N/A PHE 215.A N GLN 208.A O no hydrogen 2.771 N/A ALA 216.A N TRP 229.A O no hydrogen 3.015 N/A THR 217.A N ASP 206.A O no hydrogen 3.068 N/A THR 217.A OG1 THR 303.A OG1 no hydrogen 2.556 N/A LYS 218.A N GLN 227.A O no hydrogen 2.938 N/A VAL 220.A N SER 225.A O no hydrogen 2.924 N/A SER 225.A N VAL 220.A O no hydrogen 2.961 N/A VAL 226.A N ILE 248.A O no hydrogen 2.973 N/A GLN 227.A N LYS 218.A O no hydrogen 2.828 N/A TRP 229.A N ALA 216.A O no hydrogen 2.769 N/A TRP 229.A NE1 GLN 227.A OE1 no hydrogen 2.798 N/A VAL 230.A N ARG 238.A O no hydrogen 2.902 N/A SER 231.A N MET 214.A O no hydrogen 2.962 N/A SER 231.A OG LYS 235.A O no hydrogen 2.624 N/A GLY 233.A N LYS 212.A O no hydrogen 2.973 N/A ARG 234.A NE ASP 166.A OD1 no hydrogen 2.855 N/A ARG 234.A NE ASP 166.A OD2 no hydrogen 3.369 N/A ARG 234.A NH1 ASP 211.A O no hydrogen 3.452 N/A ARG 234.A NH2 ASP 166.A OD2 no hydrogen 2.902 N/A ARG 234.A NH2 ASP 211.A O no hydrogen 3.448 N/A LYS 235.A N PHE 232.A O no hydrogen 3.392 N/A ARG 238.A N VAL 230.A O no hydrogen 2.884 N/A ALA 240.A N LEU 228.A O no hydrogen 2.708 N/A GLN 241.A N LEU 282.A O no hydrogen 2.776 N/A THR 244.A OG1 HIS 246.A O no hydrogen 2.486 N/A ARG 245.A N GLU 564.A OE1 no hydrogen 2.693 N/A ARG 245.A NH2 GLU 564.A OE2 no hydrogen 3.201 N/A ILE 248.A N SER 225.A OG no hydrogen 2.945 N/A TYR 251.A N THR 303.A O no hydrogen 2.972 N/A TYR 251.A OH VAL 226.A O no hydrogen 2.548 N/A TYR 252.A N CYS 264.A O no hydrogen 3.002 N/A ALA 254.A N PHE 262.A O no hydrogen 2.838 N/A SER 257.A N ASP 255.A OD2 no hydrogen 3.323 N/A SER 257.A OG ASP 255.A OD1 no hydrogen 2.720 N/A SER 257.A OG ASP 255.A OD2 no hydrogen 3.351 N/A GLN 260.A NE2 LYS 341.A O no hydrogen 2.943 N/A VAL 261.A N SER 277.A OG no hydrogen 3.060 N/A PHE 262.A N ASP 255.A O no hydrogen 2.871 N/A VAL 263.A N TYR 275.A O no hydrogen 2.861 N/A CYS 264.A N TYR 252.A O no hydrogen 2.747 N/A VAL 265.A N ASN 273.A O no hydrogen 3.162 N/A ASN 270.A ND2 TYR 293.A O no hydrogen 3.314 N/A ARG 271.A N SER 268.A O no hydrogen 3.098 N/A ARG 271.A NH1 ASN 269.A O no hydrogen 2.640 N/A THR 272.A N VAL 291.A O no hydrogen 2.761 N/A THR 272.A OG1 VAL 265.A O no hydrogen 3.158 N/A THR 272.A OG1 SER 266.A O no hydrogen 2.710 N/A ASN 273.A N VAL 265.A O no hydrogen 3.273 N/A LEU 274.A N LEU 288.A O no hydrogen 2.797 N/A TYR 275.A N VAL 263.A O no hydrogen 2.750 N/A ILE 276.A N SER 285.A O no hydrogen 2.947 N/A SER 277.A N VAL 261.A O no hydrogen 3.108 N/A SER 277.A OG GLU 278.A O no hydrogen 2.494 N/A GLY 281.A N GLU 278.A O no hydrogen 3.144 N/A SER 285.A N ILE 276.A O no hydrogen 2.854 N/A SER 285.A OG CYS 544.A O no hydrogen 2.771 N/A SER 287.A N LEU 274.A O no hydrogen 2.955 N/A SER 287.A OG GLY 342.A O no hydrogen 2.768 N/A LEU 288.A N LEU 274.A O no hydrogen 3.263 N/A ASN 290.A N ASN 273.A OD1 no hydrogen 3.163 N/A VAL 291.A N THR 272.A O no hydrogen 2.825 N/A LEU 292.A N THR 329.A O no hydrogen 2.917 N/A TYR 293.A N ASN 270.A O no hydrogen 2.837 N/A TYR 294.A N PHE 313.A O no hydrogen 2.808 N/A THR 303.A N ASP 206.A OD2 no hydrogen 2.915 N/A THR 303.A OG1 ASP 206.A OD2 no hydrogen 2.597 N/A THR 303.A OG1 THR 217.A OG1 no hydrogen 2.556 N/A VAL 305.A N TYR 251.A O no hydrogen 2.862 N/A TYR 307.A OH ILE 253.A O no hydrogen 2.713 N/A GLU 311.A N PHE 308.A O no hydrogen 2.763 N/A ALA 314.A N TYR 252.A OH no hydrogen 3.382 N/A ASP 315.A N LEU 292.A O no hydrogen 2.751 N/A HIS 317.A N ILE 327.A O no hydrogen 2.795 N/A VAL 319.A N VAL 325.A O no hydrogen 2.999 N/A GLU 320.A N SER 364.A OG no hydrogen 2.940 N/A GLY 324.A N GLU 258.A OE1 no hydrogen 2.899 N/A TYR 326.A N THR 338.A O no hydrogen 3.231 N/A TYR 326.A OH ASP 255.A OD2 no hydrogen 2.783 N/A ILE 327.A N HIS 317.A O no hydrogen 2.847 N/A ALA 328.A N VAL 336.A O no hydrogen 2.977 N/A THR 329.A N ASP 315.A O no hydrogen 3.061 N/A THR 329.A OG1 SER 335.A OG no hydrogen 3.304 N/A THR 329.A OG1 LEU 357.A O no hydrogen 3.496 N/A LEU 330.A N ARG 334.A O no hydrogen 2.804 N/A ILE 331.A N ASN 290.A O no hydrogen 3.088 N/A ARG 334.A N LEU 330.A O no hydrogen 3.050 N/A ARG 334.A NH1 MET 333.A O no hydrogen 2.880 N/A SER 335.A OG THR 329.A OG1 no hydrogen 3.304 N/A VAL 336.A N ALA 328.A O no hydrogen 2.792 N/A ILE 337.A N GLU 346.A O no hydrogen 2.820 N/A THR 338.A N TYR 326.A O no hydrogen 2.939 N/A THR 338.A OG1 THR 344.A O no hydrogen 2.763 N/A ASP 340.A N THR 338.A OG1 no hydrogen 3.140 N/A LYS 341.A N GLY 324.A O no hydrogen 2.901 N/A LYS 341.A NZ GLU 258.A O no hydrogen 2.929 N/A LYS 341.A NZ SER 587.A O no hydrogen 2.689 N/A GLY 342.A N THR 338.A OG1 no hydrogen 2.974 N/A GLY 343.A N ASP 340.A O no hydrogen 3.088 N/A THR 344.A N ASP 340.A OD1 no hydrogen 2.942 N/A THR 344.A OG1 GLU 540.A OE1 no hydrogen 3.084 N/A TRP 345.A NE1 SER 287.A OG no hydrogen 2.775 N/A GLU 346.A N ILE 337.A O no hydrogen 2.836 N/A LEU 348.A N SER 335.A O no hydrogen 3.073 N/A ALA 350.A N CYS 353.A O no hydrogen 3.016 N/A CYS 353.A N ALA 350.A O no hydrogen 2.766 N/A LEU 355.A N LEU 348.A O no hydrogen 3.147 N/A HIS 356.A N SER 377.A O no hydrogen 2.824 N/A LEU 357.A N SER 335.A OG no hydrogen 2.813 N/A GLN 359.A NE2 ILE 327.A O no hydrogen 3.559 N/A LEU 363.A N ILE 373.A O no hydrogen 2.761 N/A SER 364.A OG GLU 320.A O no hydrogen 3.460 N/A ALA 368.A N LYS 365.A O no hydrogen 2.951 N/A LEU 371.A N ALA 368.A O no hydrogen 3.108 N/A ILE 372.A N SER 387.A O no hydrogen 2.909 N/A ILE 373.A N LEU 363.A O no hydrogen 3.085 N/A ALA 374.A N TYR 385.A O no hydrogen 2.893 N/A THR 375.A OG1 TYR 404.A OH no hydrogen 2.667 N/A GLY 376.A N ASN 383.A O no hydrogen 2.951 N/A SER 377.A N HIS 356.A O no hydrogen 2.999 N/A LYS 381.A NZ ASN 383.A OD1 no hydrogen 2.715 N/A ASN 383.A N GLY 376.A O no hydrogen 2.826 N/A ASN 383.A ND2 TYR 385.A OH no hydrogen 3.105 N/A VAL 384.A N LEU 398.A O no hydrogen 2.916 N/A TYR 385.A N ALA 374.A O no hydrogen 2.723 N/A ILE 386.A N ARG 395.A O no hydrogen 2.860 N/A SER 387.A N ILE 372.A O no hydrogen 2.885 N/A SER 387.A OG SER 389.A OG no hydrogen 3.087 N/A SER 387.A OG ARG 393.A O no hydrogen 2.651 N/A SER 388.A OG GLU 431.A OE1 no hydrogen 3.471 N/A SER 389.A N SER 387.A OG no hydrogen 3.035 N/A SER 389.A OG SER 387.A OG no hydrogen 3.087 N/A ALA 390.A N GLY 370.A O no hydrogen 2.779 N/A GLY 391.A N SER 387.A OG no hydrogen 2.911 N/A ALA 392.A N SER 389.A O no hydrogen 2.986 N/A ARG 393.A N SER 389.A OG no hydrogen 2.884 N/A TRP 394.A NE1 GLY 391.A O no hydrogen 2.900 N/A ARG 395.A N ILE 386.A O no hydrogen 2.846 N/A ARG 395.A NH2 GLU 431.A O no hydrogen 2.661 N/A ALA 397.A N VAL 384.A O no hydrogen 2.762 N/A LEU 398.A N VAL 384.A O no hydrogen 3.358 N/A GLY 400.A N ASN 383.A OD1 no hydrogen 2.986 N/A HIS 402.A ND1 GLY 400.A O no hydrogen 2.668 N/A TYR 403.A N ILE 416.A O no hydrogen 2.807 N/A TYR 403.A OH VAL 447.A O no hydrogen 2.869 N/A TYR 404.A OH PRO 361.A O no hydrogen 2.675 N/A TYR 404.A OH THR 375.A OG1 no hydrogen 2.667 N/A THR 405.A N THR 414.A O no hydrogen 2.988 N/A THR 405.A OG1 THR 452.A OG1 no hydrogen 2.628 N/A GLY 407.A N ILE 412.A O no hydrogen 2.804 N/A ASP 408.A N SER 458.A O no hydrogen 2.980 N/A HIS 409.A N GLU 456.A O no hydrogen 3.147 N/A HIS 409.A ND1 SER 367.A O no hydrogen 2.750 N/A GLY 410.A N GLY 407.A O no hydrogen 3.016 N/A GLY 411.A N ASP 408.A O no hydrogen 2.958 N/A ILE 412.A N GLY 407.A O no hydrogen 3.368 N/A ILE 413.A N SER 428.A O no hydrogen 2.852 N/A THR 414.A N THR 405.A O no hydrogen 2.876 N/A ALA 415.A N LYS 426.A O no hydrogen 2.876 N/A ILE 416.A N TYR 403.A O no hydrogen 3.000 N/A GLN 418.A N PRO 401.A O no hydrogen 3.078 N/A THR 422.A N VAL 445.A O no hydrogen 2.997 N/A ASN 423.A ND2 SER 441.A O no hydrogen 2.920 N/A ASN 423.A ND2 GLU 442.A O no hydrogen 3.438 N/A GLU 424.A N THR 422.A OG1 no hydrogen 2.934 N/A LEU 425.A N PHE 438.A O no hydrogen 2.871 N/A LYS 426.A N ALA 415.A O no hydrogen 2.822 N/A TYR 427.A N LYS 436.A O no hydrogen 2.872 N/A SER 428.A N ILE 413.A O no hydrogen 2.886 N/A SER 428.A OG ASN 430.A OD1 no hydrogen 2.808 N/A SER 428.A OG THR 434.A O no hydrogen 2.723 N/A ASN 430.A N SER 428.A OG no hydrogen 3.202 N/A ASN 430.A ND2 THR 434.A OG1 no hydrogen 2.808 N/A GLY 432.A N SER 428.A OG no hydrogen 2.764 N/A GLU 433.A N ASN 430.A O no hydrogen 3.172 N/A THR 434.A N ASN 430.A OD1 no hydrogen 2.835 N/A LYS 436.A N TYR 427.A O no hydrogen 2.801 N/A PHE 438.A N LEU 425.A O no hydrogen 2.900 N/A PHE 440.A N ASN 423.A O no hydrogen 2.806 N/A VAL 445.A N THR 422.A O no hydrogen 2.921 N/A PHE 446.A N SER 466.A O no hydrogen 2.615 N/A TYR 448.A N PHE 464.A O no hydrogen 2.751 N/A GLY 449.A N PHE 464.A O no hydrogen 3.106 N/A LEU 451.A N THR 462.A O no hydrogen 2.903 N/A THR 452.A OG1 THR 405.A OG1 no hydrogen 2.628 N/A THR 452.A OG1 TRP 406.A O no hydrogen 2.713 N/A GLU 453.A N VAL 460.A O no hydrogen 2.899 N/A SER 458.A N GLY 455.A O no hydrogen 3.263 N/A SER 458.A OG GLU 453.A O no hydrogen 3.056 N/A SER 458.A OG PRO 454.A O no hydrogen 2.844 N/A SER 458.A OG GLY 455.A O no hydrogen 2.993 N/A THR 459.A OG1 THR 478.A OG1 no hydrogen 2.530 N/A PHE 461.A N VAL 475.A O no hydrogen 2.787 N/A THR 462.A N LEU 451.A O no hydrogen 2.723 N/A THR 462.A OG1 GLN 474.A OE1 no hydrogen 2.704 N/A ILE 463.A N LEU 473.A O no hydrogen 2.912 N/A PHE 464.A N GLY 449.A O no hydrogen 3.056 N/A GLY 465.A N LEU 471.A O no hydrogen 3.012 N/A SER 466.A N PHE 446.A O no hydrogen 2.976 N/A SER 469.A OG LEU 10.A O no hydrogen 3.271 N/A TRP 470.A N ASP 12.A O no hydrogen 3.341 N/A TRP 470.A NE1 HIS 14.A O no hydrogen 2.717 N/A LEU 471.A N GLY 465.A O no hydrogen 2.658 N/A ILE 472.A N VAL 8.A O no hydrogen 2.839 N/A LEU 473.A N ILE 463.A O no hydrogen 2.832 N/A GLN 474.A N GLY 6.A O no hydrogen 2.857 N/A VAL 475.A N PHE 461.A O no hydrogen 2.827 N/A ASN 476.A N LYS 3.A O no hydrogen 2.831 N/A ALA 477.A N THR 459.A O no hydrogen 2.854 N/A THR 478.A N ASN 476.A OD1 no hydrogen 3.173 N/A THR 478.A OG1 THR 459.A OG1 no hydrogen 2.530 N/A THR 478.A OG1 ASN 476.A OD1 no hydrogen 2.592 N/A ALA 480.A N ALA 477.A O no hydrogen 2.948 N/A LEU 481.A N THR 478.A O no hydrogen 3.071 N/A GLY 482.A N ASP 479.A O no hydrogen 3.132 N/A CYS 485.A N PHE 521.A O no hydrogen 2.805 N/A THR 486.A N ASP 489.A OD2 no hydrogen 2.869 N/A THR 486.A OG1 ASP 489.A OD2 no hydrogen 3.413 N/A ASP 489.A N THR 486.A O no hydrogen 2.837 N/A TYR 490.A N GLU 487.A O no hydrogen 3.117 N/A TYR 490.A OH ASN 522.A OD1 no hydrogen 2.664 N/A LYS 491.A N ARG 513.A O no hydrogen 2.826 N/A TRP 493.A N PHE 511.A O no hydrogen 2.688 N/A SER 494.A OG THR 509.A O no hydrogen 2.424 N/A SER 496.A OG ASP 497.A O no hydrogen 3.370 N/A ASP 497.A N ASN 501.A O no hydrogen 3.385 N/A GLU 498.A N GLU 346.A OE2 no hydrogen 3.312 N/A ARG 499.A N ASP 497.A OD1 no hydrogen 3.003 N/A GLY 500.A N ASP 497.A O no hydrogen 3.258 N/A ASN 501.A N ASP 497.A OD1 no hydrogen 3.261 N/A HIS 507.A N LEU 504.A O no hydrogen 3.416 N/A HIS 507.A ND1 THR 590.A OG1 no hydrogen 2.761 N/A LYS 508.A N SER 533.A O no hydrogen 2.627 N/A LYS 508.A NZ GLU 502.A OE1 no hydrogen 3.019 N/A VAL 510.A N VAL 531.A O no hydrogen 2.735 N/A PHE 511.A N TRP 493.A O no hydrogen 2.720 N/A LYS 512.A NZ GLU 487.A OE1 no hydrogen 2.760 N/A LYS 512.A NZ GLU 487.A OE2 no hydrogen 3.023 N/A ARG 513.A N LYS 491.A O no hydrogen 2.882 N/A ARG 513.A NH1 PRO 369.A O no hydrogen 2.892 N/A ARG 513.A NH1 SER 388.A O no hydrogen 3.085 N/A ARG 513.A NH2 SER 388.A O no hydrogen 2.727 N/A ARG 514.A NH1 THR 429.A O no hydrogen 3.040 N/A ARG 514.A NH1 THR 515.A O no hydrogen 2.823 N/A ARG 514.A NH2 GLY 411.A O no hydrogen 2.940 N/A ARG 514.A NH2 THR 429.A O no hydrogen 2.817 N/A THR 515.A N ASP 489.A O no hydrogen 2.970 N/A HIS 517.A NE2 GLU 433.A OE1 no hydrogen 2.557 N/A PHE 521.A N VAL 483.A O no hydrogen 2.789 N/A ASN 522.A N ASP 408.A OD2 no hydrogen 2.933 N/A GLU 524.A N ASN 522.A OD1 no hydrogen 3.053 N/A ASP 527.A N ASP 525.A OD1 no hydrogen 3.040 N/A VAL 530.A N VAL 510.A O no hydrogen 2.637 N/A VAL 531.A N VAL 510.A O no hydrogen 3.358 N/A SER 533.A N LYS 508.A O no hydrogen 2.881 N/A SER 533.A OG VAL 532.A O no hydrogen 2.671 N/A CYS 535.A N GLY 506.A O no hydrogen 3.041 N/A CYS 535.A SG SER 533.A O no hydrogen 4.003 N/A CYS 537.A N GLY 593.A O no hydrogen 3.000 N/A CYS 537.A SG GLY 593.A O no hydrogen 3.879 N/A THR 538.A N ASP 541.A OD2 no hydrogen 2.715 N/A ARG 539.A NE GLU 557.A O no hydrogen 2.946 N/A ARG 539.A NH1 ARG 539.A O no hydrogen 2.779 N/A ARG 539.A NH1 TYR 542.A O no hydrogen 2.834 N/A ARG 539.A NH2 GLU 557.A O no hydrogen 2.925 N/A GLU 540.A N THR 538.A OG1 no hydrogen 3.205 N/A ASP 541.A N THR 538.A O no hydrogen 3.073 N/A TYR 542.A N ARG 539.A O no hydrogen 3.094 N/A GLU 543.A N ARG 584.A O no hydrogen 2.901 N/A ASP 545.A N GLY 582.A O no hydrogen 2.901 N/A PHE 546.A N ASP 545.A OD1 no hydrogen 2.693 N/A PHE 548.A N ASP 545.A O no hydrogen 2.820 N/A LYS 549.A N VAL 560.A O no hydrogen 2.740 N/A MET 550.A N LEU 286.A O no hydrogen 3.111 N/A SER 551.A N VAL 558.A O no hydrogen 2.617 N/A SER 551.A OG ASP 553.A O no hydrogen 2.878 N/A SER 551.A OG VAL 558.A O no hydrogen 3.291 N/A SER 555.A N ASP 553.A OD1 no hydrogen 3.135 N/A SER 555.A OG ASP 553.A OD1 no hydrogen 2.740 N/A LEU 556.A N ASP 553.A O no hydrogen 3.010 N/A GLU 557.A N LEU 554.A O no hydrogen 3.032 N/A VAL 558.A N SER 551.A OG no hydrogen 3.252 N/A CYS 559.A N TYR 583.A OH no hydrogen 3.052 N/A VAL 560.A N LYS 549.A O no hydrogen 2.801 N/A ASP 562.A N GLY 547.A O no hydrogen 3.018 N/A GLU 564.A N ASP 562.A OD1 no hydrogen 2.957 N/A PHE 565.A N ASP 562.A O no hydrogen 2.938 N/A SER 566.A N PRO 563.A O no hydrogen 2.695 N/A LYS 568.A N PHE 565.A O no hydrogen 2.972 N/A LYS 568.A NZ PHE 565.A O no hydrogen 2.894 N/A SER 569.A OG GLY 547.A O no hydrogen 2.861 N/A THR 576.A OG1 THR 576.A O no hydrogen 2.663 N/A ARG 578.A NE GLY 602.A O no hydrogen 3.339 N/A ARG 579.A N GLU 603.A O no hydrogen 2.806 N/A THR 580.A OG1 ASP 545.A OD2 no hydrogen 2.593 N/A GLY 582.A N THR 580.A OG1 no hydrogen 3.110 N/A ARG 584.A N GLU 543.A O no hydrogen 2.866 N/A ARG 584.A NE GLU 543.A OE2 no hydrogen 2.950 N/A ARG 584.A NH1 LYS 283.A O no hydrogen 2.852 N/A ARG 584.A NH2 LYS 283.A O no hydrogen 2.945 N/A ARG 584.A NH2 GLU 543.A OE2 no hydrogen 3.105 N/A LYS 585.A NZ CYS 591.A O no hydrogen 3.506 N/A LYS 585.A NZ GLU 597.A OE2 no hydrogen 2.950 N/A ILE 586.A N ASP 541.A O no hydrogen 3.009 N/A SER 587.A OG ASP 259.A O no hydrogen 2.607 N/A ASP 589.A N ILE 586.A O no hydrogen 2.955 N/A THR 590.A N LEU 505.A O no hydrogen 3.017 N/A THR 590.A OG1 GLY 506.A O no hydrogen 3.172 N/A THR 590.A OG1 HIS 507.A ND1 no hydrogen 2.761 N/A THR 590.A OG1 ASN 534.A OD1 no hydrogen 2.807 N/A CYS 591.A N ASP 589.A OD1 no hydrogen 2.894 N/A SER 592.A N CYS 535.A O no hydrogen 2.831 N/A GLY 593.A N GLU 597.A OE1 no hydrogen 3.008 N/A GLU 601.A N GLU 597.A O no hydrogen 3.081 N/A GLU 603.A N ARG 579.A O no hydrogen 2.590 N/A VAL 605.A N TYR 577.A O no hydrogen 2.949 N/A