Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6rxy_UL.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ TYR 1.A O no hydrogen 3.527 N/A PHE 4.A N GLN 570.A OE1 no hydrogen 3.118 N/A SER 7.A N VAL 602.A O no hydrogen 2.297 N/A SER 7.A OG VAL 602.A O no hydrogen 2.637 N/A LYS 8.A N VAL 602.A O no hydrogen 2.969 N/A LYS 8.A NZ ILE 352.A O no hydrogen 2.372 N/A LYS 8.A NZ LYS 353.A O no hydrogen 2.614 N/A PHE 10.A N ILE 600.A O no hydrogen 2.903 N/A VAL 13.A N ASN 300.A OD1 no hydrogen 2.557 N/A SER 15.A N ALA 29.A O no hydrogen 3.250 N/A SER 15.A OG ALA 29.A O no hydrogen 2.997 N/A SER 15.A OG ALA 30.A O no hydrogen 3.146 N/A SER 16.A OG SER 16.A O no hydrogen 2.431 N/A LEU 20.A N SER 279.A OG no hydrogen 3.314 N/A VAL 21.A N ILE 27.A O no hydrogen 2.933 N/A SER 23.A N GLN 25.A O no hydrogen 2.908 N/A SER 23.A OG GLN 25.A OE1 no hydrogen 2.669 N/A GLN 25.A N SER 23.A O no hydrogen 2.910 N/A ALA 26.A N TRP 37.A O no hydrogen 2.912 N/A ILE 27.A N VAL 21.A O no hydrogen 2.819 N/A VAL 28.A N LEU 35.A O no hydrogen 2.940 N/A ALA 30.A N GLU 33.A O no hydrogen 2.720 N/A ASN 31.A ND2 ASP 597.A O no hydrogen 3.316 N/A VAL 34.A N TRP 48.A O no hydrogen 2.982 N/A LEU 35.A N VAL 28.A O no hydrogen 2.921 N/A VAL 36.A N SER 46.A O no hydrogen 2.873 N/A TRP 37.A N ALA 26.A O no hydrogen 2.895 N/A ASP 38.A N GLU 43.A O no hydrogen 3.197 N/A LYS 40.A NZ GLY 24.A O no hydrogen 3.207 N/A LYS 41.A N ASP 38.A OD2 no hydrogen 2.531 N/A SER 46.A N VAL 36.A O no hydrogen 2.959 N/A SER 46.A OG ARG 47.A O no hydrogen 2.960 N/A TRP 48.A N GLU 33.A OE1 no hydrogen 3.105 N/A TRP 48.A N VAL 34.A O no hydrogen 2.755 N/A CYS 53.A N ASN 52.A OD1 no hydrogen 2.671 N/A CYS 53.A SG PHE 55.A O no hydrogen 3.860 N/A VAL 57.A N ASN 31.A O no hydrogen 3.401 N/A THR 58.A N GLY 73.A O no hydrogen 2.923 N/A ALA 59.A N GLY 73.A O no hydrogen 2.897 N/A ALA 61.A N ALA 71.A O no hydrogen 2.868 N/A SER 63.A OG ASP 66.A O no hydrogen 2.239 N/A SER 63.A OG VAL 69.A O no hydrogen 2.439 N/A ARG 64.A NE ASP 106.A O no hydrogen 3.383 N/A THR 65.A OG1 ARG 64.A O no hydrogen 2.551 N/A THR 65.A OG1 THR 108.A O no hydrogen 3.051 N/A PHE 70.A N TRP 82.A O no hydrogen 2.899 N/A ALA 71.A N ALA 61.A O no hydrogen 2.947 N/A VAL 72.A N ARG 80.A O no hydrogen 2.868 N/A GLY 73.A N ALA 59.A O no hydrogen 2.767 N/A TYR 74.A N SER 78.A O no hydrogen 2.917 N/A GLU 75.A N ARG 56.A O no hydrogen 2.533 N/A SER 78.A OG PHE 93.A O no hydrogen 3.088 N/A ILE 79.A N PHE 93.A O no hydrogen 2.839 N/A ARG 80.A N VAL 72.A O no hydrogen 2.848 N/A ARG 80.A NE SER 92.A OG no hydrogen 3.222 N/A ARG 80.A NH1 ASN 52.A OD1 no hydrogen 3.518 N/A LEU 81.A N VAL 91.A O no hydrogen 2.852 N/A TRP 82.A N PHE 70.A O no hydrogen 2.830 N/A ASP 83.A N THR 88.A O no hydrogen 3.050 N/A SER 84.A N ASP 68.A O no hydrogen 3.252 N/A THR 88.A N ILE 86.A O no hydrogen 2.621 N/A THR 88.A OG1 ILE 86.A O no hydrogen 3.272 N/A VAL 90.A N LEU 81.A O no hydrogen 2.250 N/A VAL 91.A N LEU 81.A O no hydrogen 3.080 N/A SER 92.A OG SER 78.A OG no hydrogen 3.051 N/A SER 92.A OG ILE 79.A O no hydrogen 3.199 N/A SER 92.A OG ASN 94.A OD1 no hydrogen 2.972 N/A PHE 93.A N ILE 79.A O no hydrogen 2.809 N/A HIS 96.A ND1 ASP 118.A OD2 no hydrogen 3.150 N/A HIS 96.A NE2 SER 114.A OG no hydrogen 2.643 N/A LYS 97.A N ASP 118.A OD1 no hydrogen 2.662 N/A SER 98.A N ASP 118.A OD1 no hydrogen 2.361 N/A ALA 99.A N GLU 75.A O no hydrogen 2.642 N/A ILE 100.A N TYR 74.A O no hydrogen 3.059 N/A THR 101.A N GLY 115.A O no hydrogen 2.643 N/A THR 101.A OG1 GLY 115.A O no hydrogen 3.034 N/A VAL 102.A N GLY 115.A O no hydrogen 2.896 N/A ALA 104.A N ALA 113.A O no hydrogen 2.916 N/A LYS 107.A N ASP 106.A OD1 no hydrogen 2.693 N/A LEU 112.A N TRP 124.A O no hydrogen 2.915 N/A ALA 113.A N ALA 104.A O no hydrogen 2.891 N/A SER 114.A N ILE 122.A O no hydrogen 2.879 N/A SER 114.A OG HIS 96.A NE2 no hydrogen 2.643 N/A SER 114.A OG ILE 122.A O no hydrogen 2.521 N/A GLY 115.A N VAL 102.A O no hydrogen 2.868 N/A SER 116.A OG SER 98.A O no hydrogen 2.268 N/A SER 116.A OG ALA 99.A O no hydrogen 2.785 N/A SER 116.A OG ASP 118.A OD1 no hydrogen 2.710 N/A LYS 117.A N ALA 99.A O no hydrogen 2.574 N/A ASP 118.A N SER 98.A O no hydrogen 3.239 N/A ASP 118.A N SER 116.A OG no hydrogen 3.412 N/A THR 119.A N SER 116.A O no hydrogen 3.251 N/A THR 119.A OG1 LYS 117.A O no hydrogen 2.840 N/A ASP 120.A N ASP 118.A O no hydrogen 2.709 N/A ILE 122.A N SER 114.A O no hydrogen 2.913 N/A VAL 123.A N TYR 133.A O no hydrogen 3.120 N/A TRP 124.A N LEU 112.A O no hydrogen 2.770 N/A TRP 124.A NE1 SER 114.A OG no hydrogen 2.788 N/A ASP 125.A N VAL 130.A O no hydrogen 3.265 N/A LEU 126.A N VAL 110.A O no hydrogen 2.898 N/A VAL 127.A N ASP 125.A OD1 no hydrogen 2.622 N/A ALA 128.A N ASP 125.A OD1 no hydrogen 2.322 N/A GLU 129.A N ASP 125.A O no hydrogen 3.226 N/A GLN 132.A N VAL 123.A O no hydrogen 2.899 N/A LEU 135.A N ILE 121.A O no hydrogen 2.952 N/A HIS 138.A NE2 THR 153.A OG1 no hydrogen 3.047 N/A ASP 140.A N ASP 157.A OD2 no hydrogen 3.228 N/A THR 143.A N THR 154.A O no hydrogen 2.634 N/A THR 143.A OG1 CYS 182.A O no hydrogen 3.338 N/A THR 143.A OG1 TRP 183.A O no hydrogen 3.322 N/A GLY 144.A N THR 154.A O no hydrogen 2.908 N/A TYR 146.A N LEU 152.A O no hydrogen 2.853 N/A ILE 148.A N PHE 150.A O no hydrogen 2.835 N/A PHE 150.A N ILE 148.A O no hydrogen 2.889 N/A LEU 151.A N TRP 163.A O no hydrogen 2.902 N/A LEU 152.A N TYR 146.A O no hydrogen 2.946 N/A THR 153.A N LYS 161.A O no hydrogen 2.888 N/A THR 153.A OG1 HIS 138.A NE2 no hydrogen 3.047 N/A THR 153.A OG1 GLY 144.A O no hydrogen 2.604 N/A THR 154.A N GLY 144.A O no hydrogen 2.894 N/A THR 154.A OG1 LEU 159.A O no hydrogen 3.457 N/A GLY 155.A N LEU 159.A O no hydrogen 2.900 N/A LYS 156.A N GLN 141.A O no hydrogen 2.594 N/A SER 158.A OG GLN 177.A O no hydrogen 3.367 N/A LEU 159.A N GLY 155.A O no hydrogen 3.030 N/A ILE 160.A N HIS 174.A O no hydrogen 2.904 N/A LYS 161.A N THR 153.A O no hydrogen 2.853 N/A LEU 162.A N GLU 172.A O no hydrogen 2.794 N/A TRP 163.A N LEU 151.A O no hydrogen 2.874 N/A ASP 164.A N HIS 169.A O no hydrogen 3.028 N/A LEU 165.A N GLY 149.A O no hydrogen 2.855 N/A SER 167.A N ASP 164.A OD1 no hydrogen 2.656 N/A HIS 169.A N SER 167.A O no hydrogen 2.633 N/A ILE 171.A N LEU 162.A O no hydrogen 2.487 N/A GLU 172.A N LEU 162.A O no hydrogen 3.015 N/A HIS 174.A N ILE 160.A O no hydrogen 2.942 N/A ALA 176.A N SER 158.A O no hydrogen 2.884 N/A GLN 177.A N SER 158.A OG no hydrogen 2.608 N/A CYS 182.A SG THR 154.A OG1 no hydrogen 3.179 N/A CYS 182.A SG ALA 184.A O no hydrogen 3.515 N/A CYS 182.A SG ALA 197.A O no hydrogen 3.781 N/A TRP 183.A N ALA 197.A O no hydrogen 2.453 N/A ALA 184.A N ALA 197.A O no hydrogen 2.964 N/A GLY 186.A N ILE 195.A O no hydrogen 2.884 N/A SER 188.A N GLY 193.A O no hydrogen 2.874 N/A SER 188.A OG ASP 190.A OD1 no hydrogen 2.902 N/A SER 188.A OG THR 192.A OG1 no hydrogen 2.832 N/A PHE 191.A N SER 188.A O no hydrogen 2.768 N/A THR 192.A N SER 188.A OG no hydrogen 2.399 N/A THR 192.A OG1 SER 188.A OG no hydrogen 2.832 N/A THR 192.A OG1 ASP 190.A OD1 no hydrogen 3.003 N/A THR 192.A OG1 ASP 190.A OD2 no hydrogen 3.492 N/A GLY 193.A N SER 188.A OG no hydrogen 3.011 N/A CYS 194.A N TRP 206.A O no hydrogen 2.845 N/A CYS 194.A SG GLY 186.A O no hydrogen 3.887 N/A CYS 194.A SG GLY 193.A O no hydrogen 3.373 N/A ILE 195.A N GLY 186.A O no hydrogen 2.836 N/A THR 196.A N THR 204.A O no hydrogen 2.843 N/A THR 196.A OG1 THR 204.A OG1 no hydrogen 2.225 N/A ALA 197.A N ALA 184.A O no hydrogen 2.880 N/A GLY 198.A N GLU 202.A O no hydrogen 2.857 N/A ASN 199.A N GLN 177.A OE1 no hydrogen 3.069 N/A ASN 199.A N GLU 181.A O no hydrogen 3.100 N/A GLY 201.A N GLY 198.A O no hydrogen 2.629 N/A GLU 202.A N GLY 198.A O no hydrogen 2.968 N/A ILE 203.A N LEU 224.A O no hydrogen 2.827 N/A THR 204.A N THR 196.A O no hydrogen 2.896 N/A THR 204.A OG1 THR 196.A OG1 no hydrogen 2.225 N/A VAL 205.A N GLY 222.A O no hydrogen 2.813 N/A TRP 206.A NE1 THR 204.A OG1 no hydrogen 2.403 N/A ALA 207.A N GLN 219.A O no hydrogen 2.819 N/A LEU 208.A N THR 192.A O no hydrogen 2.867 N/A ASP 209.A N PHE 217.A O no hydrogen 3.212 N/A GLN 213.A N GLN 213.A OE1 no hydrogen 2.656 N/A GLN 219.A N ALA 207.A O no hydrogen 2.838 N/A ASN 220.A ND2 VAL 205.A O no hydrogen 2.449 N/A ASN 220.A ND2 GLY 222.A O no hydrogen 2.443 N/A GLY 222.A N VAL 205.A O no hydrogen 2.991 N/A THR 223.A OG1 LEU 224.A O no hydrogen 3.455 N/A LEU 224.A N ILE 203.A O no hydrogen 2.825 N/A ARG 226.A N GLY 201.A O no hydrogen 3.399 N/A SER 227.A N GLU 254.A OE1 no hydrogen 3.262 N/A SER 227.A N GLU 254.A OE2 no hydrogen 2.758 N/A SER 227.A OG GLU 254.A OE2 no hydrogen 2.357 N/A SER 228.A N GLU 254.A OE2 no hydrogen 3.115 N/A LYS 229.A NZ ASP 200.A O no hydrogen 3.391 N/A LYS 229.A NZ GLU 202.A OE1 no hydrogen 2.646 N/A LYS 229.A NZ ARG 226.A O no hydrogen 3.318 N/A ALA 233.A N HIS 247.A O no hydrogen 2.477 N/A GLU 234.A N HIS 247.A O no hydrogen 2.883 N/A VAL 236.A N ALA 245.A O no hydrogen 2.930 N/A HIS 238.A N TYR 243.A O no hydrogen 2.827 N/A LEU 240.A N HIS 238.A ND1 no hydrogen 2.863 N/A PHE 244.A N TRP 256.A O no hydrogen 2.918 N/A ALA 245.A N VAL 236.A O no hydrogen 2.848 N/A VAL 246.A N GLU 254.A O no hydrogen 2.898 N/A HIS 247.A N GLU 234.A O no hydrogen 2.975 N/A SER 252.A OG LYS 251.A O no hydrogen 3.018 N/A VAL 253.A N VAL 271.A O no hydrogen 2.948 N/A GLU 254.A N VAL 246.A O no hydrogen 2.922 N/A ILE 255.A N VAL 269.A O no hydrogen 2.834 N/A TRP 256.A N PHE 244.A O no hydrogen 2.828 N/A ARG 257.A N VAL 266.A O no hydrogen 2.761 N/A ILE 258.A N ASP 242.A O no hydrogen 2.866 N/A ARG 259.A N VAL 264.A O no hydrogen 3.202 N/A SER 262.A OG GLU 260.A OE2 no hydrogen 3.021 N/A VAL 264.A N GLU 260.A O no hydrogen 2.926 N/A PHE 265.A N VAL 261.A O no hydrogen 2.936 N/A HIS 268.A NE2 VAL 308.A O no hydrogen 3.019 N/A VAL 269.A N ILE 255.A O no hydrogen 2.861 N/A VAL 271.A N VAL 253.A O no hydrogen 2.845 N/A ARG 272.A N TYR 312.A OH no hydrogen 3.314 N/A THR 273.A N LYS 251.A O no hydrogen 2.813 N/A THR 273.A OG1 GLY 275.A O no hydrogen 2.413 N/A THR 274.A OG1 GLU 303.A OE2 no hydrogen 2.404 N/A LYS 276.A NZ VAL 249.A O no hydrogen 3.341 N/A VAL 277.A N GLU 250.A O no hydrogen 2.724 N/A ARG 278.A N GLY 296.A O no hydrogen 2.529 N/A ARG 278.A NE SER 16.A O no hydrogen 2.366 N/A ARG 278.A NH1 ARG 278.A O no hydrogen 3.569 N/A SER 279.A N GLY 296.A O no hydrogen 3.002 N/A SER 279.A OG VAL 280.A O no hydrogen 3.043 N/A ASN 285.A ND2 GLN 292.A OE1 no hydrogen 3.078 N/A VAL 288.A N ASN 285.A O no hydrogen 3.381 N/A LYS 289.A NZ GLY 309.A O no hydrogen 3.161 N/A LEU 291.A N ILE 307.A O no hydrogen 2.888 N/A GLN 292.A N ALA 283.A O no hydrogen 3.024 N/A GLN 292.A NE2 ASN 306.A OD1 no hydrogen 3.309 N/A LEU 293.A N TYR 305.A O no hydrogen 2.916 N/A LEU 294.A N ASP 281.A O no hydrogen 2.922 N/A VAL 295.A N GLU 303.A O no hydrogen 2.874 N/A GLY 296.A N SER 279.A O no hydrogen 2.814 N/A GLY 297.A N LEU 301.A O no hydrogen 2.913 N/A THR 298.A N LYS 276.A O no hydrogen 2.657 N/A THR 298.A OG1 LYS 276.A O no hydrogen 2.805 N/A LEU 301.A N GLY 297.A O no hydrogen 3.024 N/A LEU 302.A N VAL 318.A O no hydrogen 2.920 N/A GLU 303.A N VAL 295.A O no hydrogen 2.871 N/A LEU 304.A N LEU 316.A O no hydrogen 2.798 N/A TYR 305.A N LEU 293.A O no hydrogen 2.932 N/A TYR 305.A OH GLU 303.A OE1 no hydrogen 3.293 N/A TYR 305.A OH GLU 303.A OE2 no hydrogen 3.147 N/A ASN 306.A N ASN 313.A O no hydrogen 2.995 N/A ILE 307.A N LEU 291.A O no hydrogen 2.925 N/A ASN 313.A N ASN 306.A O no hydrogen 3.178 N/A LYS 314.A NZ GLU 303.A OE2 no hydrogen 3.418 N/A ALA 315.A N LEU 304.A O no hydrogen 2.657 N/A LEU 316.A N LEU 304.A O no hydrogen 2.959 N/A VAL 318.A N LEU 302.A O no hydrogen 2.860 N/A GLY 322.A N GLU 319.A O no hydrogen 3.474 N/A THR 325.A OG1 ASN 344.A O no hydrogen 2.679 N/A ARG 328.A N ALA 342.A O no hydrogen 2.734 N/A SER 329.A N ALA 342.A O no hydrogen 2.910 N/A SER 329.A OG CYS 369.A O no hydrogen 3.537 N/A ALA 331.A N ALA 340.A O no hydrogen 2.921 N/A SER 333.A N MET 338.A O no hydrogen 2.858 N/A SER 333.A OG ASP 335.A OD1 no hydrogen 2.639 N/A SER 333.A OG MET 338.A O no hydrogen 2.746 N/A ASP 336.A N SER 333.A O no hydrogen 2.850 N/A LYS 337.A N SER 333.A OG no hydrogen 2.862 N/A LYS 337.A N ASP 335.A OD1 no hydrogen 3.199 N/A MET 338.A N SER 333.A OG no hydrogen 2.986 N/A LEU 339.A N TRP 350.A O no hydrogen 2.905 N/A ALA 340.A N ALA 331.A O no hydrogen 2.838 N/A SER 341.A OG HIS 323.A NE2 no hydrogen 2.515 N/A ALA 342.A N SER 329.A O no hydrogen 2.863 N/A ALA 343.A N SER 346.A O no hydrogen 2.817 N/A ASN 344.A N ASP 326.A O no hydrogen 3.311 N/A SER 346.A N ALA 343.A O no hydrogen 3.017 N/A LEU 347.A N PHE 361.A O no hydrogen 2.893 N/A LYS 348.A N SER 341.A O no hydrogen 2.863 N/A LYS 348.A NZ LEU 320.A O no hydrogen 2.711 N/A LYS 348.A NZ THR 360.A OG1 no hydrogen 3.147 N/A ILE 349.A N ARG 359.A O no hydrogen 2.861 N/A TRP 350.A N LEU 339.A O no hydrogen 2.887 N/A ASN 351.A N GLN 356.A O no hydrogen 2.852 N/A ASN 351.A ND2 THR 354.A OG1 no hydrogen 3.167 N/A ILE 352.A N LYS 337.A O no hydrogen 2.901 N/A THR 354.A OG1 ASN 351.A O no hydrogen 2.902 N/A THR 354.A OG1 GLN 356.A O no hydrogen 3.568 N/A GLN 355.A N ILE 352.A O no hydrogen 2.922 N/A GLN 356.A N ASN 351.A O no hydrogen 2.909 N/A CYS 357.A SG ILE 349.A O no hydrogen 3.191 N/A CYS 357.A SG ARG 359.A O no hydrogen 3.218 N/A CYS 357.A SG THR 360.A OG1 no hydrogen 3.683 N/A ILE 358.A N ILE 349.A O no hydrogen 2.827 N/A ARG 359.A N ILE 349.A O no hydrogen 3.022 N/A ARG 359.A NE VAL 392.A O no hydrogen 2.721 N/A ARG 359.A NH1 ALA 393.A O no hydrogen 2.297 N/A PHE 361.A N LEU 347.A O no hydrogen 2.743 N/A CYS 363.A N GLY 345.A O no hydrogen 3.088 N/A CYS 363.A SG ALA 343.A O no hydrogen 3.203 N/A CYS 363.A SG SER 346.A O no hydrogen 3.800 N/A LEU 367.A N GLY 381.A O no hydrogen 2.943 N/A CYS 368.A N GLY 381.A O no hydrogen 2.991 N/A CYS 368.A SG GLY 381.A O no hydrogen 3.843 N/A CYS 368.A SG VAL 409.A O no hydrogen 3.268 N/A CYS 369.A N SER 329.A OG no hydrogen 2.811 N/A CYS 369.A SG SER 329.A OG no hydrogen 2.677 N/A ALA 370.A N ILE 379.A O no hydrogen 2.867 N/A LEU 372.A N VAL 377.A O no hydrogen 2.857 N/A ASP 375.A N LEU 372.A O no hydrogen 2.675 N/A VAL 378.A N TYR 390.A O no hydrogen 2.851 N/A ILE 379.A N ALA 370.A O no hydrogen 2.803 N/A VAL 380.A N GLN 388.A O no hydrogen 2.890 N/A GLY 381.A N CYS 368.A O no hydrogen 2.838 N/A THR 382.A N GLU 386.A O no hydrogen 2.871 N/A THR 382.A OG1 TYR 365.A O no hydrogen 2.401 N/A THR 382.A OG1 GLU 384.A OE1 no hydrogen 3.486 N/A GLU 386.A N THR 382.A O no hydrogen 3.060 N/A LEU 387.A N VAL 401.A O no hydrogen 2.922 N/A GLN 388.A N VAL 380.A O no hydrogen 2.883 N/A LEU 389.A N GLU 399.A O no hydrogen 2.781 N/A TYR 390.A N VAL 378.A O no hydrogen 2.901 N/A ASP 391.A N SER 396.A O no hydrogen 2.918 N/A VAL 392.A N LYS 376.A O no hydrogen 2.856 N/A SER 394.A N ASP 391.A OD2 no hydrogen 2.742 N/A SER 394.A OG ASP 391.A OD1 no hydrogen 2.974 N/A SER 394.A OG ASP 391.A OD2 no hydrogen 2.761 N/A SER 396.A N ASP 391.A OD1 no hydrogen 2.988 N/A SER 396.A OG ASP 391.A OD1 no hydrogen 2.696 N/A SER 396.A OG SER 394.A OG no hydrogen 2.292 N/A LEU 398.A N LEU 389.A O no hydrogen 2.371 N/A GLU 399.A N LEU 389.A O no hydrogen 2.952 N/A THR 400.A OG1 GLU 399.A O no hydrogen 2.584 N/A VAL 401.A N LEU 387.A O no hydrogen 2.852 N/A ASN 402.A ND2 ASP 405.A O no hydrogen 3.392 N/A HIS 404.A N GLY 385.A O no hydrogen 2.408 N/A GLY 406.A N ASP 405.A OD1 no hydrogen 2.747 N/A HIS 407.A N ASP 405.A OD1 no hydrogen 3.250 N/A ALA 411.A N GLY 424.A O no hydrogen 2.922 N/A GLN 413.A N VAL 422.A O no hydrogen 2.935 N/A HIS 415.A N SER 420.A O no hydrogen 2.850 N/A HIS 415.A NE2 ASP 417.A OD1 no hydrogen 2.692 N/A SER 420.A OG VAL 421.A O no hydrogen 3.309 N/A SER 420.A OG TRP 433.A O no hydrogen 2.666 N/A VAL 421.A N TRP 433.A O no hydrogen 2.890 N/A VAL 422.A N GLN 413.A O no hydrogen 2.874 N/A SER 423.A N LYS 431.A O no hydrogen 2.873 N/A SER 423.A OG LYS 431.A O no hydrogen 3.175 N/A GLY 424.A N ALA 411.A O no hydrogen 2.885 N/A ASP 427.A N ASP 427.A OD1 no hydrogen 2.565 N/A LYS 428.A NZ ASP 447.A OD1 no hydrogen 3.076 N/A LYS 428.A NZ ASP 447.A OD2 no hydrogen 2.890 N/A ALA 430.A N LEU 442.A O no hydrogen 2.868 N/A LYS 431.A N SER 423.A O no hydrogen 2.881 N/A LYS 431.A NZ ALA 403.A O no hydrogen 2.317 N/A TRP 433.A N VAL 421.A O no hydrogen 2.892 N/A TRP 433.A NE1 SER 423.A OG no hydrogen 2.402 N/A PHE 435.A N ARG 419.A O no hydrogen 2.863 N/A VAL 437.A N ASP 434.A O no hydrogen 2.877 N/A SER 439.A OG PHE 432.A O no hydrogen 2.768 N/A ARG 440.A N PHE 432.A O no hydrogen 3.076 N/A ARG 440.A NH1 ASP 475.A O no hydrogen 2.853 N/A LYS 443.A NZ THR 429.A OG1 no hydrogen 3.047 N/A VAL 444.A N LYS 428.A O no hydrogen 2.927 N/A ASP 447.A N ASP 446.A OD1 no hydrogen 2.734 N/A LEU 449.A N ALA 463.A O no hydrogen 2.853 N/A SER 450.A N ALA 463.A O no hydrogen 3.028 N/A SER 450.A OG LEU 491.A O no hydrogen 2.505 N/A ARG 452.A N ALA 461.A O no hydrogen 2.962 N/A ARG 452.A NH2 VAL 535.A O no hydrogen 3.425 N/A SER 454.A N LEU 459.A O no hydrogen 2.856 N/A SER 454.A OG ASP 456.A O no hydrogen 2.426 N/A SER 454.A OG LEU 459.A O no hydrogen 2.569 N/A ARG 458.A N SER 454.A OG no hydrogen 2.869 N/A LEU 459.A N SER 454.A OG no hydrogen 2.487 N/A LEU 460.A N PHE 472.A O no hydrogen 2.824 N/A ALA 461.A N ARG 452.A O no hydrogen 2.924 N/A VAL 462.A N LYS 470.A O no hydrogen 2.898 N/A ALA 463.A N SER 450.A O no hydrogen 2.815 N/A LEU 464.A N THR 468.A O no hydrogen 2.910 N/A LEU 465.A N ASP 447.A O no hydrogen 2.923 N/A THR 468.A OG1 VAL 469.A O no hydrogen 3.483 N/A THR 468.A OG1 LEU 483.A O no hydrogen 2.502 N/A VAL 469.A N LEU 483.A O no hydrogen 2.981 N/A LYS 470.A N VAL 462.A O no hydrogen 2.864 N/A VAL 471.A N LEU 481.A O no hydrogen 2.800 N/A PHE 472.A N LEU 460.A O no hydrogen 2.859 N/A PHE 473.A N LYS 478.A O no hydrogen 3.164 N/A ASN 474.A N ARG 458.A O no hydrogen 2.958 N/A THR 476.A N ASP 475.A OD1 no hydrogen 2.670 N/A LYS 478.A NZ THR 476.A OG1 no hydrogen 2.688 N/A LEU 481.A N VAL 471.A O no hydrogen 3.017 N/A LEU 483.A N VAL 469.A O no hydrogen 2.831 N/A HIS 486.A ND1 ASP 508.A OD2 no hydrogen 2.877 N/A HIS 486.A NE2 THR 504.A O no hydrogen 3.239 N/A LEU 488.A N ASP 508.A OD2 no hydrogen 3.249 N/A LEU 491.A N SER 505.A O no hydrogen 2.524 N/A SER 492.A N SER 505.A O no hydrogen 2.970 N/A SER 492.A OG MET 493.A O no hydrogen 3.267 N/A ASP 494.A N VAL 503.A O no hydrogen 2.940 N/A SER 496.A N LEU 501.A O no hydrogen 2.875 N/A SER 496.A OG ASP 498.A OD1 no hydrogen 2.773 N/A ASP 498.A N ASP 498.A OD1 no hydrogen 2.359 N/A SER 499.A N SER 496.A O no hydrogen 2.813 N/A SER 499.A OG ASP 456.A OD1 no hydrogen 2.217 N/A LYS 500.A N SER 496.A OG no hydrogen 2.398 N/A LEU 501.A N SER 496.A OG no hydrogen 3.131 N/A ILE 502.A N TRP 514.A O no hydrogen 2.922 N/A VAL 503.A N ASP 494.A O no hydrogen 2.820 N/A THR 504.A N ARG 512.A O no hydrogen 2.885 N/A THR 504.A OG1 ARG 512.A O no hydrogen 3.143 N/A SER 505.A N SER 492.A O no hydrogen 2.903 N/A SER 505.A OG ILE 532.A O no hydrogen 2.783 N/A SER 506.A N ASN 510.A O no hydrogen 3.152 N/A SER 506.A OG LEU 488.A O no hydrogen 2.418 N/A SER 506.A OG PRO 489.A O no hydrogen 2.747 N/A SER 506.A OG ASP 508.A OD1 no hydrogen 3.110 N/A SER 506.A OG ASP 508.A OD2 no hydrogen 3.409 N/A ALA 507.A N PRO 489.A O no hydrogen 3.288 N/A LYS 509.A NZ ALA 507.A O no hydrogen 2.857 N/A ILE 511.A N LEU 525.A O no hydrogen 2.972 N/A ARG 512.A N THR 504.A O no hydrogen 2.882 N/A ARG 512.A NH2 GLY 485.A O no hydrogen 2.677 N/A ILE 513.A N LYS 523.A O no hydrogen 2.855 N/A TRP 514.A N ILE 502.A O no hydrogen 2.813 N/A TRP 514.A NE1 THR 504.A OG1 no hydrogen 2.810 N/A GLY 515.A N ASP 520.A O no hydrogen 2.728 N/A ASP 517.A N GLY 515.A O no hydrogen 2.739 N/A CYS 521.A SG ILE 513.A O no hydrogen 3.909 N/A LYS 523.A N ILE 513.A O no hydrogen 3.056 N/A LEU 525.A N ILE 511.A O no hydrogen 2.933 N/A HIS 528.A ND1 THR 557.A OG1 no hydrogen 3.098 N/A HIS 528.A NE2 SER 551.A OG no hydrogen 2.962 N/A GLN 529.A N ASP 555.A OD2 no hydrogen 2.936 N/A SER 531.A N ASP 530.A OD1 no hydrogen 2.465 N/A LEU 533.A N ALA 552.A O no hydrogen 2.409 N/A GLN 534.A N ALA 552.A O no hydrogen 3.044 N/A ALA 536.A N PHE 550.A O no hydrogen 2.927 N/A PHE 537.A N ASP 494.A OD2 no hydrogen 2.351 N/A HIS 540.A ND1 HIS 586.A O no hydrogen 2.468 N/A ASN 541.A ND2 TYR 497.A OH no hydrogen 2.442 N/A GLY 544.A N ASN 541.A O no hydrogen 2.682 N/A GLY 546.A N ASN 541.A OD1 no hydrogen 2.475 N/A TYR 548.A N ASN 545.A O no hydrogen 2.810 N/A PHE 549.A N TRP 561.A O no hydrogen 2.885 N/A PHE 550.A N ALA 536.A O no hydrogen 2.827 N/A SER 551.A N LYS 559.A O no hydrogen 2.928 N/A SER 551.A OG HIS 528.A NE2 no hydrogen 2.962 N/A SER 551.A OG LYS 559.A O no hydrogen 2.972 N/A ALA 552.A N GLN 534.A O no hydrogen 2.849 N/A SER 553.A N THR 557.A O no hydrogen 2.900 N/A SER 553.A OG HIS 528.A ND1 no hydrogen 2.737 N/A SER 553.A OG ASP 555.A OD1 no hydrogen 2.161 N/A SER 553.A OG THR 557.A OG1 no hydrogen 2.134 N/A LYS 554.A N SER 531.A O no hydrogen 2.727 N/A ARG 556.A NH1 HIS 576.A O no hydrogen 2.344 N/A THR 557.A N SER 553.A O no hydrogen 3.025 N/A THR 557.A OG1 HIS 528.A ND1 no hydrogen 3.098 N/A THR 557.A OG1 SER 553.A O no hydrogen 3.331 N/A THR 557.A OG1 ASP 555.A OD1 no hydrogen 2.248 N/A ILE 558.A N ILE 572.A O no hydrogen 3.005 N/A LYS 559.A N SER 551.A O no hydrogen 2.852 N/A LYS 559.A NZ GLY 527.A O no hydrogen 2.327 N/A TYR 560.A N GLN 570.A O no hydrogen 2.851 N/A TRP 561.A N PHE 549.A O no hydrogen 2.871 N/A TRP 561.A NE1 SER 551.A OG no hydrogen 3.096 N/A ASP 562.A N GLU 567.A O no hydrogen 2.946 N/A ALA 563.A N HIS 547.A O no hydrogen 2.942 N/A ASP 564.A N ASP 562.A OD1 no hydrogen 3.018 N/A LYS 565.A N ASP 562.A OD2 no hydrogen 2.330 N/A GLU 567.A N ASP 562.A O no hydrogen 2.941 N/A GLN 568.A N GLN 568.A OE1 no hydrogen 2.611 N/A ILE 569.A N TYR 560.A O no hydrogen 2.838 N/A GLN 570.A N TYR 560.A O no hydrogen 2.985 N/A GLN 570.A NE2 PHE 4.A O no hydrogen 3.416 N/A ILE 572.A N ILE 558.A O no hydrogen 2.771 N/A HIS 575.A NE2 SER 593.A OG no hydrogen 2.598 N/A HIS 576.A N ASP 597.A OD2 no hydrogen 2.749 N/A HIS 576.A ND1 ASP 597.A OD2 no hydrogen 2.994 N/A HIS 576.A NE2 LYS 54.A O no hydrogen 2.943 N/A GLU 578.A N GLU 578.A OE1 no hydrogen 2.682 N/A TRP 580.A N ALA 594.A O no hydrogen 2.723 N/A ALA 581.A N ALA 594.A O no hydrogen 2.933 N/A LEU 582.A N GLN 534.A OE1 no hydrogen 3.083 N/A ALA 583.A N VAL 592.A O no hydrogen 2.939 N/A SER 585.A N PHE 590.A O no hydrogen 2.920 N/A SER 585.A OG PHE 590.A O no hydrogen 2.457 N/A HIS 586.A N ASP 336.A OD1 no hydrogen 3.511 N/A HIS 586.A N ASP 336.A OD2 no hydrogen 2.925 N/A HIS 586.A ND1 ASP 336.A OD1 no hydrogen 2.812 N/A GLY 588.A N SER 585.A O no hydrogen 2.858 N/A ARG 589.A N SER 587.A OG no hydrogen 3.092 N/A PHE 590.A N SER 585.A OG no hydrogen 2.758 N/A LEU 591.A N TRP 603.A O no hydrogen 2.945 N/A VAL 592.A N ALA 583.A O no hydrogen 2.874 N/A SER 593.A OG HIS 575.A NE2 no hydrogen 2.598 N/A SER 593.A OG ARG 601.A O no hydrogen 3.016 N/A ALA 594.A N ALA 581.A O no hydrogen 2.841 N/A SER 595.A N SER 599.A O no hydrogen 3.084 N/A SER 595.A OG GLY 577.A O no hydrogen 2.267 N/A SER 595.A OG GLU 578.A O no hydrogen 2.712 N/A HIS 596.A N GLU 578.A O no hydrogen 2.427 N/A HIS 596.A ND1 ASP 326.A OD2 no hydrogen 2.666 N/A ASP 597.A N SER 595.A OG no hydrogen 2.733 N/A LYS 598.A N SER 595.A O no hydrogen 2.724 N/A LYS 598.A NZ HIS 596.A O no hydrogen 2.389 N/A SER 599.A OG HIS 575.A ND1 no hydrogen 3.120 N/A ILE 600.A N PHE 10.A O no hydrogen 2.946 N/A ARG 601.A N SER 593.A O no hydrogen 2.881 N/A ARG 601.A N SER 593.A OG no hydrogen 3.057 N/A VAL 602.A N LYS 8.A O no hydrogen 2.787 N/A TRP 603.A N LEU 591.A O no hydrogen 2.823 N/A TRP 603.A NE1 SER 593.A OG no hydrogen 3.016 N/A GLU 604.A N GLU 5.A O no hydrogen 2.598 N/A GLU 608.A N GLU 608.A OE2 no hydrogen 2.479 N/A ARG 609.A N MET 605.A O no hydrogen 2.887 N/A ILE 610.A N ALA 606.A O no hydrogen 3.054 N/A ALA 611.A N GLY 607.A O no hydrogen 2.768 N/A GLU 612.A N GLU 608.A O no hydrogen 2.945 N/A ALA 613.A N ARG 609.A O no hydrogen 3.017 N/A LEU 614.A N ILE 610.A O no hydrogen 2.881 N/A GLU 615.A N ALA 611.A O no hydrogen 2.904 N/A LEU 616.A N GLU 612.A O no hydrogen 2.847 N/A GLY 617.A N ALA 613.A O no hydrogen 2.890 N/A MET 618.A N LEU 614.A O no hydrogen 2.906 N/A THR 619.A N GLU 615.A O no hydrogen 3.038 N/A THR 619.A OG1 LEU 616.A O no hydrogen 2.321 N/A ASP 620.A N LEU 616.A O no hydrogen 2.876 N/A LEU 621.A N GLY 617.A O no hydrogen 2.851 N/A ASN 622.A N MET 618.A O no hydrogen 2.896 N/A THR 623.A N THR 619.A O no hydrogen 2.960 N/A THR 623.A OG1 PRO 640.A O no hydrogen 2.855 N/A ILE 624.A N ASP 620.A O no hydrogen 2.925 N/A ARG 625.A N LEU 621.A O no hydrogen 2.871 N/A GLU 626.A N ASN 622.A O no hydrogen 2.943 N/A TRP 627.A N THR 623.A O no hydrogen 2.829 N/A TRP 627.A NE1 ALA 638.A O no hydrogen 2.270 N/A GLU 628.A N ILE 624.A O no hydrogen 2.858 N/A GLU 629.A N ARG 625.A O no hydrogen 2.875 N/A ALA 630.A N GLU 626.A O no hydrogen 2.893 N/A ARG 631.A N TRP 627.A O no hydrogen 2.882 N/A ARG 631.A NH1 GLU 628.A OE1 no hydrogen 3.367 N/A ARG 631.A NH1 GLU 628.A OE2 no hydrogen 3.127 N/A GLN 632.A N GLU 628.A O no hydrogen 2.820 N/A ILE 633.A N GLU 629.A O no hydrogen 2.878 N/A ASN 634.A N ALA 630.A O no hydrogen 2.910 N/A ARG 642.A NE ASP 620.A OD1 no hydrogen 3.241 N/A ARG 642.A NH1 ASN 651.A OD1 no hydrogen 2.720 N/A ARG 642.A NH2 ASP 620.A OD2 no hydrogen 2.952 N/A ARG 642.A NH2 ILE 652.A O no hydrogen 2.330 N/A VAL 647.A N ASN 643.A O no hydrogen 2.929 N/A ALA 648.A N PRO 644.A O no hydrogen 2.777 N/A LEU 649.A N ILE 645.A O no hydrogen 2.880 N/A GLY 650.A N VAL 647.A O no hydrogen 3.344 N/A ASN 651.A N PHE 646.A O no hydrogen 3.055 N/A GLU 655.A N GLU 655.A OE1 no hydrogen 2.409 N/A THR 656.A OG1 PRO 653.A O no hydrogen 2.240 N/A TYR 657.A N PRO 653.A O no hydrogen 2.944 N/A VAL 658.A N ALA 654.A O no hydrogen 2.876 N/A LEU 659.A N GLU 655.A O no hydrogen 2.914 N/A ASN 660.A N THR 656.A O no hydrogen 2.903 N/A THR 661.A N TYR 657.A O no hydrogen 2.885 N/A LEU 662.A N VAL 658.A O no hydrogen 2.907 N/A LEU 662.A N LEU 659.A O no hydrogen 3.257 N/A GLN 663.A N LEU 659.A O no hydrogen 2.791 N/A GLN 663.A NE2 LEU 659.A O no hydrogen 3.330 N/A LYS 664.A N ASN 660.A O no hydrogen 2.966 N/A ILE 665.A N LEU 662.A O no hydrogen 3.201 N/A LEU 670.A N LYS 666.A O no hydrogen 2.917 N/A HIS 671.A N PRO 667.A O no hydrogen 2.970 N/A ASP 672.A N ALA 668.A O no hydrogen 3.066 N/A ALA 673.A N SER 669.A O no hydrogen 2.810 N/A LEU 674.A N LEU 670.A O no hydrogen 2.935 N/A LEU 675.A N HIS 671.A O no hydrogen 2.987 N/A VAL 676.A N ASP 672.A O no hydrogen 2.869 N/A LEU 677.A N ALA 673.A O no hydrogen 3.086 N/A THR 681.A N PRO 678.A O no hydrogen 3.156 N/A THR 681.A OG1 PRO 678.A O no hydrogen 2.214 N/A ILE 682.A N PHE 679.A O no hydrogen 3.063 N/A LEU 685.A N THR 681.A O no hydrogen 3.365 N/A LEU 686.A N ILE 682.A O no hydrogen 2.946 N/A THR 687.A N PRO 683.A O no hydrogen 2.919 N/A THR 687.A OG1 PRO 683.A O no hydrogen 3.474 N/A THR 687.A OG1 SER 684.A O no hydrogen 2.319 N/A PHE 688.A N SER 684.A O no hydrogen 2.946 N/A LEU 689.A N LEU 685.A O no hydrogen 2.877 N/A ASN 690.A N LEU 686.A O no hydrogen 2.799 N/A LEU 691.A N THR 687.A O no hydrogen 2.898 N/A PHE 692.A N PHE 688.A O no hydrogen 2.847 N/A ALA 693.A N LEU 689.A O no hydrogen 2.867 N/A GLN 694.A N ASN 690.A O no hydrogen 2.931 N/A ARG 695.A N LEU 691.A O no hydrogen 2.868 N/A GLU 696.A N GLU 696.A OE1 no hydrogen 2.486 N/A ASN 698.A ND2 GLN 663.A OE1 no hydrogen 2.330 N/A THR 702.A N ASN 698.A O no hydrogen 2.961 N/A THR 702.A OG1 VAL 699.A O no hydrogen 2.514 N/A CYS 703.A N VAL 699.A O no hydrogen 2.994 N/A CYS 703.A SG VAL 699.A O no hydrogen 3.063 N/A ARG 704.A N PRO 700.A O no hydrogen 2.922 N/A ILE 705.A N LEU 701.A O no hydrogen 2.963 N/A LEU 706.A N THR 702.A O no hydrogen 2.939 N/A PHE 707.A N CYS 703.A O no hydrogen 2.943 N/A PHE 708.A N ARG 704.A O no hydrogen 3.017 N/A VAL 709.A N ILE 705.A O no hydrogen 2.987 N/A LEU 710.A N LEU 706.A O no hydrogen 3.006 N/A LYS 711.A N PHE 707.A O no hydrogen 2.959 N/A THR 712.A N PHE 708.A O no hydrogen 2.999 N/A THR 712.A OG1 PHE 708.A O no hydrogen 2.959 N/A THR 712.A OG1 VAL 709.A O no hydrogen 3.068 N/A THR 712.A OG1 HIS 713.A ND1 no hydrogen 2.911 N/A HIS 713.A N VAL 709.A O no hydrogen 2.951 N/A ALA 719.A N LYS 715.A O no hydrogen 2.876 N/A ALA 719.A N GLN 716.A O no hydrogen 3.127 N/A SER 720.A N GLN 716.A O no hydrogen 2.918 N/A ARG 724.A N ARG 721.A O no hydrogen 2.858 N/A THR 726.A OG1 THR 722.A O no hydrogen 3.557 N/A THR 726.A OG1 MET 723.A O no hydrogen 2.286 N/A LEU 727.A N MET 723.A O no hydrogen 2.614 N/A GLU 728.A N ARG 724.A O no hydrogen 2.914 N/A LYS 729.A N ALA 725.A O no hydrogen 2.910 N/A VAL 730.A N THR 726.A O no hydrogen 2.928 N/A ARG 731.A N LEU 727.A O no hydrogen 2.863 N/A ARG 731.A NE GLU 728.A OE2 no hydrogen 2.343 N/A ALA 732.A N GLU 728.A O no hydrogen 2.936 N/A ASN 733.A N LYS 729.A O no hydrogen 2.907 N/A ASN 733.A ND2 ASN 690.A O no hydrogen 3.418 N/A LEU 734.A N VAL 730.A O no hydrogen 2.823 N/A ARG 735.A N ARG 731.A O no hydrogen 2.857 N/A ALA 736.A N ALA 732.A O no hydrogen 2.973 N/A ALA 737.A N ASN 733.A O no hydrogen 2.905 N/A LEU 738.A N LEU 734.A O no hydrogen 2.869 N/A ARG 739.A N ARG 735.A O no hydrogen 2.943 N/A ARG 740.A N ALA 736.A O no hydrogen 2.852 N/A GLN 741.A N ALA 737.A O no hydrogen 2.907 N/A LYS 742.A N LEU 738.A O no hydrogen 2.895 N/A ASP 743.A N ARG 739.A O no hydrogen 2.870 N/A GLU 744.A N ARG 740.A O no hydrogen 2.993 N/A MET 745.A N GLN 741.A O no hydrogen 2.979 N/A GLY 746.A N LYS 742.A O no hydrogen 2.811 N/A PHE 747.A N ASP 743.A O no hydrogen 2.903 N/A ASN 748.A N GLU 744.A O no hydrogen 2.925 N/A ILE 749.A N MET 745.A O no hydrogen 2.903 N/A ALA 750.A N GLY 746.A O no hydrogen 2.926 N/A ALA 751.A N PHE 747.A O no hydrogen 2.953 N/A LEU 752.A N ASN 748.A O no hydrogen 2.898 N/A LYS 753.A N ILE 749.A O no hydrogen 2.910 N/A VAL 754.A N ALA 750.A O no hydrogen 3.054 N/A VAL 755.A N ALA 751.A O no hydrogen 2.906 N/A SER 756.A N LEU 752.A O no hydrogen 2.916 N/A SER 756.A OG LEU 752.A O no hydrogen 2.540 N/A SER 756.A OG LYS 753.A O no hydrogen 2.580 N/A MET 757.A N LYS 753.A O no hydrogen 3.055 N/A GLN 758.A N VAL 754.A O no hydrogen 2.924 N/A LEU 759.A N VAL 755.A O no hydrogen 2.818 N/A ARG 760.A N SER 756.A O no hydrogen 2.926 N/A ARG 760.A NE ASP 761.A OD1 no hydrogen 3.147 N/A ASP 761.A N MET 757.A O no hydrogen 2.894 N/A LYS 762.A N GLN 758.A O no hydrogen 2.869 N/A SER 763.A N LEU 759.A O no hydrogen 2.917 N/A SER 763.A N ARG 760.A O no hydrogen 2.938 N/A SER 763.A OG LEU 759.A O no hydrogen 2.470 N/A SER 763.A OG ARG 760.A O no hydrogen 3.139 N/A GLU 770.A N GLU 770.A OE1 no hydrogen 2.717 N/A THR 771.A N ASP 769.A OD1 no hydrogen 3.043 N/A THR 771.A OG1 ASP 769.A OD1 no hydrogen 2.180 N/A GLU 773.A N GLU 773.A OE1 no hydrogen 2.691 N/A LYS 775.A N TRP 772.A O no hydrogen 3.159 N/A ARG 779.A NH1 LYS 778.A O no hydrogen 2.312 N/A