Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n2g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N TYR 22.A O no hydrogen 2.790 N/A ARG 3.A NH1 VAL 16.A O no hydrogen 2.644 N/A VAL 5.A N TRP 24.A O no hydrogen 3.090 N/A ARG 6.A NH1 ASP 26.A OD2 no hydrogen 2.793 N/A LEU 7.A N ASP 26.A O no hydrogen 3.064 N/A SER 11.A N GLN 8.A O no hydrogen 2.984 N/A SER 11.A OG TYR 9.A O no hydrogen 3.005 N/A VAL 13.A N GLY 108.A O no hydrogen 2.702 N/A ALA 15.A N PHE 110.A O no hydrogen 2.882 N/A TYR 17.A N THR 112.A O no hydrogen 2.878 N/A LEU 19.A N ILE 114.A O no hydrogen 2.983 N/A THR 21.A N VAL 18.A O no hydrogen 3.142 N/A THR 21.A OG1 VAL 18.A O no hydrogen 2.724 N/A TYR 22.A N ARG 1.A O no hydrogen 2.896 N/A LEU 23.A N VAL 77.A O no hydrogen 2.886 N/A TRP 24.A N ARG 3.A O no hydrogen 2.887 N/A TRP 24.A NE1 THR 4.A OG1 no hydrogen 2.489 N/A THR 25.A N LEU 75.A O no hydrogen 2.797 N/A THR 25.A OG1 VAL 5.A O no hydrogen 2.955 N/A TYR 28.A N ASP 26.A OD1 no hydrogen 2.642 N/A SER 29.A N ASP 26.A OD1 no hydrogen 2.918 N/A SER 29.A OG ASP 26.A OD1 no hydrogen 3.345 N/A SER 29.A OG ASP 26.A OD2 no hydrogen 2.464 N/A ALA 31.A N TYR 28.A O no hydrogen 3.180 N/A ALA 35.A N PRO 32.A O no hydrogen 3.178 N/A GLN 36.A N TYR 96.A O no hydrogen 2.861 N/A GLN 36.A NE2 GLY 34.A O no hydrogen 3.383 N/A THR 37.A N TYR 96.A O no hydrogen 3.337 N/A PHE 38.A N TRP 67.A O no hydrogen 2.905 N/A SER 39.A N ASN 94.A O no hydrogen 2.930 N/A SER 39.A OG TYR 96.A OH no hydrogen 2.820 N/A LYS 41.A N THR 92.A O no hydrogen 2.847 N/A HIS 42.A N THR 61.A O no hydrogen 2.713 N/A HIS 42.A ND1 SER 43.A O no hydrogen 2.790 N/A HIS 42.A NE2 VAL 59.A O no hydrogen 2.734 N/A SER 43.A N LYS 90.A O no hydrogen 3.097 N/A SER 43.A OG SER 88.A O no hydrogen 3.225 N/A VAL 46.A N SER 43.A O no hydrogen 3.347 N/A TRP 47.A N THR 78.A O no hydrogen 2.800 N/A GLU 49.A N ARG 76.A O no hydrogen 2.968 N/A VAL 50.A N GLU 57.A O no hydrogen 2.737 N/A VAL 51.A N THR 74.A O no hydrogen 2.882 N/A ARG 52.A N GLU 55.A O no hydrogen 2.930 N/A ASP 53.A N SER 72.A O no hydrogen 3.203 N/A GLU 55.A N ARG 52.A O no hydrogen 3.218 N/A GLU 57.A N VAL 50.A O no hydrogen 2.861 N/A VAL 59.A N VAL 48.A O no hydrogen 3.063 N/A TRP 67.A N PHE 38.A O no hydrogen 2.876 N/A LEU 69.A N GLN 36.A O no hydrogen 2.815 N/A SER 70.A OG SER 72.A OG no hydrogen 3.204 N/A SER 72.A N SER 70.A OG no hydrogen 3.376 N/A SER 72.A OG ASP 53.A OD1 no hydrogen 3.563 N/A SER 72.A OG SER 70.A OG no hydrogen 3.204 N/A THR 73.A N SER 70.A O no hydrogen 2.981 N/A THR 74.A N VAL 51.A O no hydrogen 2.931 N/A LEU 75.A N THR 25.A O no hydrogen 2.837 N/A ARG 76.A N GLU 49.A O no hydrogen 2.990 N/A ARG 76.A NE GLU 49.A OE1 no hydrogen 2.995 N/A ARG 76.A NH2 GLU 49.A OE1 no hydrogen 3.547 N/A ARG 76.A NH2 GLU 49.A OE2 no hydrogen 2.904 N/A VAL 77.A N LEU 23.A O no hydrogen 2.884 N/A THR 78.A N TRP 47.A O no hydrogen 2.913 N/A MET 79.A N TYR 17.A OH no hydrogen 2.870 N/A SER 83.A N ALA 113.A O no hydrogen 2.815 N/A SER 83.A OG ASP 89.A OD2 no hydrogen 2.592 N/A THR 84.A N SER 87.A OG no hydrogen 2.660 N/A THR 84.A OG1 SER 87.A OG no hydrogen 2.953 N/A SER 87.A OG THR 84.A OG1 no hydrogen 2.953 N/A LYS 90.A N SER 43.A OG no hydrogen 3.145 N/A VAL 91.A N LEU 109.A O no hydrogen 2.862 N/A THR 92.A N LYS 41.A O no hydrogen 2.779 N/A VAL 93.A N ALA 107.A O no hydrogen 2.765 N/A ASN 94.A N SER 39.A O no hydrogen 2.891 N/A TYR 95.A N ASP 105.A O no hydrogen 3.053 N/A TYR 95.A OH VAL 27.A O no hydrogen 2.704 N/A TYR 96.A N THR 37.A O no hydrogen 3.038 N/A TYR 96.A OH SER 39.A OG no hydrogen 2.820 N/A ILE 104.A N TYR 95.A O no hydrogen 2.660 N/A GLN 106.A N ASP 105.A OD1 no hydrogen 2.697 N/A ALA 107.A N VAL 93.A O no hydrogen 2.951 N/A GLY 108.A N SER 11.A O no hydrogen 2.995 N/A LEU 109.A N VAL 91.A O no hydrogen 2.814 N/A PHE 110.A N VAL 13.A O no hydrogen 2.751 N/A LEU 111.A N ASP 89.A O no hydrogen 2.805 N/A THR 112.A N ALA 15.A O no hydrogen 3.079 N/A THR 112.A OG1 GLU 85.A OE2 no hydrogen 3.509 N/A ALA 113.A N SER 83.A OG no hydrogen 2.724 N/A ILE 114.A N TYR 17.A O no hydrogen 2.904 N/A GLU 115.A N LYS 187.A O no hydrogen 2.754 N/A SER 117.A N ARG 185.A O no hydrogen 2.917 N/A SER 117.A OG ASP 119.A OD1 no hydrogen 2.568 N/A LEU 118.A N ASP 286.A OD2 no hydrogen 2.932 N/A ASP 119.A N ILE 183.A O no hydrogen 2.814 N/A ALA 122.A N GLU 129.A OE2 no hydrogen 2.912 N/A ASP 123.A N GLU 129.A OE2 no hydrogen 2.987 N/A ARG 124.A NE GLY 146.A O no hydrogen 2.744 N/A ARG 124.A NH1 THR 139.A O no hydrogen 3.199 N/A ARG 124.A NH2 THR 139.A O no hydrogen 2.842 N/A ARG 124.A NH2 GLY 146.A O no hydrogen 3.253 N/A ASP 125.A N ASP 121.A OD1 no hydrogen 3.089 N/A GLY 126.A N ASP 121.A OD2 no hydrogen 2.625 N/A VAL 127.A N ASP 125.A OD1 no hydrogen 2.928 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 2.646 N/A LYS 130.A NZ GLU 115.A OE2 no hydrogen 3.294 N/A ASN 131.A N ASP 119.A OD1 no hydrogen 3.088 N/A ASN 132.A ND2 GLU 129.A OE2 no hydrogen 2.832 N/A ASN 132.A ND2 GLN 145.A OE1 no hydrogen 2.569 N/A LYS 134.A N ASN 132.A OD1 no hydrogen 2.832 N/A LYS 135.A N ASN 132.A O no hydrogen 3.017 N/A LYS 135.A NZ LEU 118.A O no hydrogen 2.724 N/A LYS 135.A NZ ASP 119.A OD1 no hydrogen 3.338 N/A LYS 135.A NZ ASN 131.A OD1 no hydrogen 3.077 N/A LYS 135.A NZ ASP 286.A OD1 no hydrogen 3.549 N/A LYS 135.A NZ ASP 286.A OD2 no hydrogen 2.616 N/A SER 137.A N LYS 134.A O no hydrogen 3.228 N/A TRP 138.A NE1 ALA 147.A O no hydrogen 3.093 N/A THR 139.A N GLN 145.A O no hydrogen 2.746 N/A THR 139.A OG1 GLN 145.A O no hydrogen 3.516 N/A GLY 141.A N TRP 653.A O no hydrogen 2.927 N/A GLY 144.A N GLY 141.A O no hydrogen 2.865 N/A GLN 145.A N THR 139.A OG1 no hydrogen 2.977 N/A GLY 146.A N ALA 122.A O no hydrogen 2.798 N/A LEU 149.A N ARG 291.A O no hydrogen 2.899 N/A ASN 152.A N GLY 252.A O no hydrogen 2.956 N/A ASN 152.A ND2 ASP 175.A OD1 no hydrogen 2.852 N/A ASN 152.A ND2 ASP 175.A OD2 no hydrogen 3.432 N/A ASN 152.A ND2 GLU 251.A OE1 no hydrogen 3.035 N/A CYS 153.A SG VAL 151.A O no hydrogen 3.705 N/A ARG 155.A N GLY 379.A O no hydrogen 3.012 N/A ARG 155.A NH1 PRO 161.A O no hydrogen 2.828 N/A GLU 156.A N ASP 164.A OD1 no hydrogen 3.174 N/A GLU 163.A N GLU 163.A OE2 no hydrogen 2.669 N/A ASP 164.A N ASP 154.A O no hydrogen 2.868 N/A ARG 166.A N GLU 163.A O no hydrogen 3.076 N/A ALA 167.A N ASP 164.A O no hydrogen 3.165 N/A LYS 173.A NZ LYS 173.A O no hydrogen 2.775 N/A LEU 176.A N LYS 173.A O no hydrogen 2.758 N/A LYS 177.A N GLU 174.A O no hydrogen 3.136 N/A LYS 177.A NZ GLU 174.A OE2 no hydrogen 2.306 N/A ASP 178.A N ASP 175.A O no hydrogen 3.042 N/A MET 179.A N LEU 176.A O no hydrogen 3.116 N/A SER 180.A N VAL 250.A O no hydrogen 2.854 N/A SER 180.A OG ILE 148.A O no hydrogen 2.803 N/A MET 182.A N PHE 248.A O no hydrogen 2.881 N/A ILE 183.A N ASP 119.A O no hydrogen 2.879 N/A LEU 184.A N LEU 246.A O no hydrogen 2.931 N/A ARG 185.A N SER 117.A O no hydrogen 2.896 N/A ARG 185.A NE GLU 245.A OE2 no hydrogen 2.729 N/A ARG 185.A NH1 ASP 119.A OD2 no hydrogen 2.858 N/A ARG 185.A NH1 VAL 128.A O no hydrogen 3.470 N/A ARG 185.A NH1 GLU 129.A O no hydrogen 3.322 N/A ARG 185.A NH2 VAL 128.A O no hydrogen 3.135 N/A THR 186.A N ALA 244.A O no hydrogen 2.967 N/A LYS 187.A N GLU 115.A O no hydrogen 3.104 N/A GLY 188.A N GLY 242.A O no hydrogen 3.066 N/A GLU 197.A N LEU 271.A O no hydrogen 3.039 N/A VAL 199.A N SER 269.A O no hydrogen 2.880 N/A LEU 200.A N HIS 235.A O no hydrogen 2.931 N/A TYR 201.A N HIS 267.A O no hydrogen 2.908 N/A TYR 201.A OH SER 269.A OG no hydrogen 3.324 N/A ILE 202.A N LEU 233.A O no hydrogen 2.942 N/A ASP 206.A N SER 203.A OG no hydrogen 3.153 N/A SER 207.A N MET 204.A O no hydrogen 3.005 N/A SER 207.A OG MET 204.A O no hydrogen 2.648 N/A LYS 209.A N ASP 206.A O no hydrogen 2.874 N/A LYS 209.A NZ SER 205.A O no hydrogen 2.995 N/A LYS 209.A NZ ASP 208.A OD1 no hydrogen 2.845 N/A GLY 211.A N GLU 251.A O no hydrogen 2.982 N/A VAL 212.A N LEU 228.A O no hydrogen 2.920 N/A PHE 213.A N PHE 249.A O no hydrogen 2.845 N/A TYR 214.A N ILE 225.A O no hydrogen 2.869 N/A GLU 216.A N ARG 223.A O no hydrogen 2.693 N/A ARG 223.A N GLU 216.A O no hydrogen 2.971 N/A ARG 223.A NE GLU 216.A OE2 no hydrogen 2.452 N/A ILE 225.A N TYR 214.A O no hydrogen 2.773 N/A ILE 227.A N VAL 212.A O no hydrogen 2.906 N/A LEU 228.A N VAL 212.A O no hydrogen 3.417 N/A GLY 229.A N LYS 232.A O no hydrogen 2.944 N/A LYS 232.A N GLY 229.A O no hydrogen 2.902 N/A LYS 232.A NZ ILE 227.A O no hydrogen 3.099 N/A LYS 232.A NZ TYR 234.A O no hydrogen 3.523 N/A HIS 235.A N LEU 200.A O no hydrogen 2.723 N/A VAL 237.A N ILE 198.A O no hydrogen 2.810 N/A TYR 239.A OH PRO 189.A O no hydrogen 2.696 N/A GLY 242.A N GLY 188.A O no hydrogen 2.808 N/A ALA 244.A N THR 186.A O no hydrogen 2.825 N/A LEU 246.A N LEU 184.A O no hydrogen 2.836 N/A PHE 248.A N MET 182.A O no hydrogen 2.699 N/A PHE 249.A N PHE 213.A O no hydrogen 2.820 N/A VAL 250.A N SER 180.A O no hydrogen 2.784 N/A GLU 251.A N GLY 211.A O no hydrogen 2.855 N/A GLY 252.A N LEU 150.A O no hydrogen 3.007 N/A LEU 253.A N LYS 209.A O no hydrogen 2.720 N/A CYS 254.A SG PHE 255.A O no hydrogen 3.403 N/A ASP 257.A N PHE 260.A O no hydrogen 3.074 N/A GLU 258.A N ASP 257.A OD1 no hydrogen 2.720 N/A PHE 260.A N ASP 257.A O no hydrogen 2.951 N/A LEU 263.A N SER 261.A OG no hydrogen 3.065 N/A VAL 264.A N PHE 290.A O no hydrogen 2.938 N/A SER 265.A N ASP 206.A OD2 no hydrogen 3.053 N/A ILE 266.A N VAL 288.A O no hydrogen 2.957 N/A HIS 267.A N TYR 201.A O no hydrogen 3.002 N/A HIS 267.A ND1 THR 287.A OG1 no hydrogen 2.659 N/A VAL 268.A N ASP 286.A O no hydrogen 2.889 N/A SER 269.A N VAL 199.A O no hydrogen 2.796 N/A SER 269.A OG TYR 201.A OH no hydrogen 3.324 N/A SER 269.A OG PHE 284.A O no hydrogen 3.562 N/A SER 269.A OG THR 285.A OG1 no hydrogen 2.632 N/A LEU 270.A N PHE 284.A O no hydrogen 2.904 N/A LEU 271.A N GLU 197.A O no hydrogen 2.785 N/A GLU 272.A N THR 281.A O no hydrogen 2.765 N/A TYR 273.A N GLY 195.A O no hydrogen 2.689 N/A ILE 278.A N ALA 275.A O no hydrogen 3.474 N/A THR 281.A N GLU 272.A O no hydrogen 2.976 N/A PHE 284.A N LEU 270.A O no hydrogen 3.473 N/A THR 285.A OG1 SER 269.A OG no hydrogen 2.632 N/A ASP 286.A N VAL 268.A O no hydrogen 2.857 N/A THR 287.A OG1 HIS 267.A ND1 no hydrogen 2.659 N/A VAL 288.A N ILE 266.A O no hydrogen 2.916 N/A ILE 289.A N LYS 135.A O no hydrogen 3.104 N/A PHE 290.A N VAL 264.A O no hydrogen 2.974 N/A ARG 291.A N ALA 147.A O no hydrogen 2.926 N/A ARG 291.A NH1 SER 261.A O no hydrogen 3.114 N/A ILE 292.A N GLY 262.A O no hydrogen 2.776 N/A ALA 293.A N LEU 149.A O no hydrogen 2.832 N/A TRP 295.A N GLN 446.A OE1 no hydrogen 2.762 N/A TRP 295.A NE1 VAL 359.A O no hydrogen 3.022 N/A ILE 296.A N TYR 349.A O no hydrogen 3.073 N/A MET 297.A N GLN 449.A OE1 no hydrogen 2.794 N/A ASN 300.A ND2 PHE 470.A O no hydrogen 3.428 N/A LEU 302.A N PRO 299.A O no hydrogen 3.149 N/A VAL 305.A N ARG 644.A O no hydrogen 2.807 N/A SER 306.A N ARG 644.A O no hydrogen 3.219 N/A SER 306.A OG GLU 332.A OE2 no hydrogen 2.653 N/A VAL 307.A N GLU 332.A O no hydrogen 2.803 N/A PHE 308.A N ASN 642.A O no hydrogen 2.929 N/A VAL 309.A N LYS 334.A O no hydrogen 2.791 N/A CYS 310.A N.A GLY 640.A O no hydrogen 2.972 N/A CYS 310.A N.B GLY 640.A O no hydrogen 2.984 N/A CYS 310.A SG.B ASP 338.A O no hydrogen 2.831 N/A CYS 310.A SG.B GLY 640.A O no hydrogen 3.866 N/A CYS 311.A N CYS 336.A O no hydrogen 3.273 N/A CYS 311.A SG MET 312.A O no hydrogen 3.541 N/A ASN 315.A N MET 312.A O no hydrogen 2.957 N/A ASN 315.A ND2 ASP 626.A O no hydrogen 3.176 N/A LEU 319.A N ASN 315.A O no hydrogen 3.253 N/A LYS 320.A N TYR 316.A O no hydrogen 2.839 N/A GLU 321.A N LEU 317.A O no hydrogen 2.910 N/A VAL 322.A N PHE 318.A O no hydrogen 2.905 N/A LYS 323.A N LEU 319.A O no hydrogen 2.893 N/A LYS 323.A NZ GLU 327.A OE2 no hydrogen 2.593 N/A ASN 324.A N LYS 320.A O no hydrogen 3.024 N/A LEU 325.A N GLU 321.A O no hydrogen 3.022 N/A VAL 326.A N VAL 322.A O no hydrogen 2.880 N/A GLU 327.A N LYS 323.A O no hydrogen 3.029 N/A LYS 328.A N LEU 325.A O no hydrogen 3.052 N/A LYS 328.A NZ ASP 589.A OD1 no hydrogen 2.790 N/A LYS 328.A NZ GLU 620.A OE1 no hydrogen 2.262 N/A THR 329.A N VAL 326.A O no hydrogen 2.751 N/A THR 329.A OG1 VAL 326.A O no hydrogen 2.538 N/A CYS 331.A N THR 329.A OG1 no hydrogen 3.224 N/A CYS 331.A SG PRO 304.A O no hydrogen 3.886 N/A CYS 331.A SG THR 329.A OG1 no hydrogen 3.171 N/A GLU 332.A N VAL 305.A O no hydrogen 3.101 N/A LYS 334.A N VAL 307.A O no hydrogen 2.861 N/A CYS 336.A N VAL 309.A O no hydrogen 2.804 N/A GLN 342.A N ARG 339.A O no hydrogen 2.933 N/A GLN 342.A NE2 ASN 582.A OD1 no hydrogen 3.345 N/A ASP 343.A N ARG 339.A O no hydrogen 2.904 N/A GLU 344.A N TRP 340.A O no hydrogen 2.644 N/A GLU 346.A N LEU 361.A O no hydrogen 3.060 N/A GLY 348.A N VAL 359.A O no hydrogen 2.860 N/A TYR 349.A N ILE 296.A O no hydrogen 2.887 N/A ILE 350.A N PHE 357.A O no hydrogen 3.075 N/A ALA 352.A N LYS 355.A O no hydrogen 2.781 N/A LYS 355.A N ALA 352.A O no hydrogen 3.189 N/A LYS 355.A NZ ASP 178.A OD1 no hydrogen 3.253 N/A LYS 355.A NZ ASP 381.A OD1 no hydrogen 3.023 N/A LYS 355.A NZ ASP 381.A OD2 no hydrogen 2.880 N/A PHE 357.A N ILE 350.A O no hydrogen 3.211 N/A VAL 359.A N GLY 348.A O no hydrogen 2.843 N/A VAL 360.A N GLY 383.A O no hydrogen 2.832 N/A LEU 361.A N GLU 346.A O no hydrogen 3.030 N/A ASP 362.A N VAL 385.A O no hydrogen 3.001 N/A SER 363.A N GLU 344.A O no hydrogen 2.920 N/A SER 363.A OG.B ASP 398.A O no hydrogen 2.734 N/A ARG 365.A N GLU 388.A OE2 no hydrogen 2.896 N/A GLY 367.A N LYS 370.A O no hydrogen 3.242 N/A ASN 368.A N ASP 366.A OD1 no hydrogen 2.646 N/A LYS 370.A N ASP 366.A OD1 no hydrogen 2.803 N/A LYS 370.A NZ GLU 344.A OE1 no hydrogen 3.484 N/A LYS 370.A NZ ASP 362.A OD1 no hydrogen 2.450 N/A LYS 370.A NZ SER 363.A O no hydrogen 2.267 N/A LYS 370.A NZ SER 363.A OG.A no hydrogen 3.412 N/A VAL 374.A N ASP 362.A OD2 no hydrogen 2.895 N/A LYS 375.A NZ GLU 163.A OE2 no hydrogen 2.853 N/A LEU 378.A N LYS 375.A O no hydrogen 2.935 N/A GLY 379.A N PHE 382.A O no hydrogen 3.096 N/A ASP 381.A N ASP 154.A OD2 no hydrogen 2.989 N/A PHE 382.A N GLY 379.A O no hydrogen 3.090 N/A GLY 383.A N PRO 358.A O no hydrogen 2.811 N/A TYR 384.A N CYS 153.A O no hydrogen 3.044 N/A TYR 384.A OH ASP 362.A OD2 no hydrogen 2.747 N/A VAL 385.A N VAL 360.A O no hydrogen 2.859 N/A THR 386.A OG1 ASP 362.A O no hydrogen 2.724 N/A ARG 387.A NE ASP 257.A OD2 no hydrogen 2.630 N/A ARG 387.A NH1 THR 386.A O no hydrogen 2.901 N/A ARG 387.A NH2 ASP 257.A OD2 no hydrogen 2.745 N/A THR 395.A N ASP 398.A OD1 no hydrogen 2.913 N/A SER 396.A OG VAL 461.A O no hydrogen 2.602 N/A SER 396.A OG HIS 463.A NE2 no hydrogen 3.246 N/A LEU 397.A N THR 395.A OG1 no hydrogen 3.137 N/A ASP 398.A N THR 395.A O no hydrogen 3.032 N/A SER 399.A N SER 396.A O no hydrogen 3.136 N/A SER 399.A OG.B ASP 343.A O no hydrogen 3.522 N/A SER 399.A OG.B ASP 343.A OD1 no hydrogen 2.727 N/A PHE 400.A N ASP 343.A O no hydrogen 2.688 N/A GLY 401.A N SER 399.A OG.B no hydrogen 3.175 N/A ASN 402.A N SER 399.A O no hydrogen 2.934 N/A ASN 402.A ND2 LEU 397.A O no hydrogen 3.039 N/A ASN 402.A ND2 GLY 424.A O no hydrogen 3.080 N/A LEU 403.A N PHE 400.A O no hydrogen 3.129 N/A GLU 404.A N LEU 422.A O no hydrogen 3.024 N/A SER 406.A N ARG 420.A O no hydrogen 2.893 N/A SER 406.A OG PRO 407.A O no hydrogen 2.794 N/A SER 406.A OG ARG 420.A O no hydrogen 3.516 N/A VAL 409.A N TYR 416.A O no hydrogen 3.299 N/A VAL 411.A N LYS 414.A O no hydrogen 2.811 N/A LYS 414.A N VAL 411.A O no hydrogen 2.978 N/A LYS 414.A NZ SER 658.A OG no hydrogen 3.339 N/A TYR 416.A N VAL 409.A O no hydrogen 2.776 N/A GLY 419.A N TYR 416.A O no hydrogen 2.978 N/A ARG 420.A N SER 406.A OG no hydrogen 2.790 N/A ARG 420.A NE ALA 450.A O no hydrogen 2.977 N/A ARG 420.A NH1 GLU 550.A O no hydrogen 2.984 N/A ARG 420.A NH1 GLU 550.A OE1 no hydrogen 2.890 N/A ARG 420.A NH2 ALA 450.A O no hydrogen 3.211 N/A ILE 421.A N GLN 449.A O no hydrogen 2.896 N/A LEU 422.A N GLU 404.A O no hydrogen 2.802 N/A ILE 423.A N VAL 452.A O no hydrogen 3.098 N/A GLY 424.A N ASN 402.A OD1 no hydrogen 2.933 N/A SER 425.A N LEU 454.A O no hydrogen 2.748 N/A SER 425.A OG SER 426.A O no hydrogen 3.423 N/A SER 425.A OG GLU 453.A OE2 no hydrogen 3.355 N/A SER 426.A N SER 425.A OG no hydrogen 2.687 N/A SER 426.A OG ARG 433.A O no hydrogen 2.544 N/A SER 430.A N PHE 427.A O no hydrogen 3.119 N/A SER 430.A OG PHE 427.A O no hydrogen 2.648 N/A GLY 432.A N SER 430.A OG no hydrogen 2.940 N/A ARG 433.A N ASP 457.A OD1 no hydrogen 2.995 N/A ARG 433.A NE ASP 457.A OD2 no hydrogen 2.709 N/A ARG 433.A NH1 THR 460.A O no hydrogen 3.115 N/A ARG 433.A NH2 ASP 457.A OD2 no hydrogen 2.930 N/A ARG 433.A NH2 LEU 459.A O no hydrogen 2.884 N/A ARG 433.A NH2 THR 460.A O no hydrogen 3.218 N/A ARG 434.A NE GLU 453.A OE2 no hydrogen 2.923 N/A ARG 434.A NH2 GLU 453.A OE1 no hydrogen 2.951 N/A ARG 434.A NH2 GLU 453.A OE2 no hydrogen 3.549 N/A THR 436.A N ASP 398.A OD2 no hydrogen 2.740 N/A THR 436.A OG1 ASP 398.A OD2 no hydrogen 2.846 N/A LYS 437.A N GLU 392.A OE2 no hydrogen 3.000 N/A LYS 437.A NZ ASP 441.A OD2 no hydrogen 2.683 N/A ARG 440.A N THR 436.A O no hydrogen 3.032 N/A ARG 440.A NE MET 435.A O no hydrogen 2.814 N/A ASP 441.A N LYS 437.A O no hydrogen 2.654 N/A PHE 442.A N VAL 438.A O no hydrogen 3.249 N/A LEU 443.A N VAL 439.A O no hydrogen 3.025 N/A LYS 444.A N ARG 440.A O no hydrogen 2.970 N/A ALA 445.A N ASP 441.A O no hydrogen 2.989 N/A GLN 446.A N LEU 443.A O no hydrogen 3.281 N/A GLN 446.A NE2 PRO 256.A O no hydrogen 2.868 N/A GLN 446.A NE2 PHE 442.A O no hydrogen 2.863 N/A GLN 447.A N LYS 444.A O no hydrogen 3.113 N/A VAL 448.A N GLN 446.A O no hydrogen 2.806 N/A GLN 449.A NE2 MET 297.A O no hydrogen 2.898 N/A GLN 449.A NE2 LEU 418.A O no hydrogen 2.904 N/A ALA 450.A N GLN 447.A O no hydrogen 3.302 N/A VAL 452.A N ILE 421.A O no hydrogen 2.795 N/A LEU 454.A N ILE 423.A O no hydrogen 2.761 N/A TYR 455.A N ASN 543.A OD1 no hydrogen 2.671 N/A SER 456.A N SER 425.A O no hydrogen 2.920 N/A SER 456.A OG GLY 462.A O no hydrogen 2.679 N/A ASP 457.A N SER 425.A O no hydrogen 3.102 N/A TRP 458.A NE1 TYR 455.A O no hydrogen 3.000 N/A LEU 459.A N SER 456.A O no hydrogen 3.116 N/A THR 460.A N ALA 573.A O no hydrogen 2.770 N/A THR 460.A OG1 ASP 568.A OD2 no hydrogen 2.636 N/A THR 460.A OG1 ALA 573.A O no hydrogen 3.166 N/A HIS 463.A N GLU 466.A OE2 no hydrogen 2.943 N/A HIS 463.A NE2 SER 396.A O no hydrogen 2.830 N/A VAL 464.A N ASN 402.A OD1 no hydrogen 3.011 N/A ASP 465.A N GLY 401.A O no hydrogen 3.121 N/A GLU 466.A N HIS 463.A O no hydrogen 3.003 N/A PHE 467.A N VAL 464.A O no hydrogen 3.225 N/A MET 468.A N VAL 464.A O no hydrogen 3.339 N/A SER 469.A N LEU 482.A O no hydrogen 3.008 N/A SER 469.A OG.A VAL 581.A O no hydrogen 3.003 N/A VAL 471.A N LEU 480.A O no hydrogen 3.052 N/A ILE 473.A N LYS 478.A O no hydrogen 2.855 N/A THR 476.A N ILE 473.A O no hydrogen 3.153 N/A THR 476.A OG1 ILE 473.A O no hydrogen 2.774 N/A LYS 478.A N THR 476.A OG1 no hydrogen 2.863 N/A LEU 480.A N VAL 471.A O no hydrogen 2.812 N/A LEU 481.A N ASP 557.A O no hydrogen 2.794 N/A LEU 482.A N SER 469.A O no hydrogen 2.739 N/A MET 483.A N ILE 559.A O no hydrogen 3.026 N/A ALA 484.A N PHE 467.A O no hydrogen 2.991 N/A SER 485.A N LEU 561.A O no hydrogen 2.752 N/A SER 485.A OG GLN 537.A OE1 no hydrogen 3.104 N/A THR 486.A OG1 ASN 533.A O no hydrogen 2.765 N/A SER 487.A N GLN 537.A OE1 no hydrogen 3.078 N/A SER 487.A OG SER 485.A OG no hydrogen 3.083 N/A SER 487.A OG GLN 537.A OE1 no hydrogen 3.454 N/A ALA 488.A N SER 485.A OG no hydrogen 3.066 N/A TYR 490.A N THR 486.A O no hydrogen 2.970 N/A LYS 491.A N SER 487.A O no hydrogen 3.044 N/A LYS 491.A NZ GLU 495.A OE2 no hydrogen 3.048 N/A LEU 492.A N ALA 488.A O no hydrogen 3.106 N/A PHE 493.A N CYS 489.A O no hydrogen 2.933 N/A ARG 494.A N TYR 490.A O no hydrogen 2.844 N/A GLU 495.A N LYS 491.A O no hydrogen 2.976 N/A LYS 496.A N LEU 492.A O no hydrogen 2.983 N/A GLN 497.A N PHE 493.A O no hydrogen 2.877 N/A GLN 497.A NE2 ASN 521.A OD1 no hydrogen 2.825 N/A LYS 498.A N ARG 494.A O no hydrogen 3.021 N/A ASP 499.A N GLU 495.A O no hydrogen 2.862 N/A GLY 500.A N GLN 497.A O no hydrogen 2.965 N/A HIS 501.A N LYS 496.A O no hydrogen 2.920 N/A ALA 504.A N HIS 501.A O no hydrogen 2.957 N/A MET 506.A N ILE 518.A O no hydrogen 2.759 N/A PHE 507.A N PHE 596.A O no hydrogen 2.810 N/A LEU 510.A N PHE 507.A O no hydrogen 2.985 N/A GLY 512.A N HIS 631.A O no hydrogen 2.791 N/A MET 513.A N LEU 510.A O no hydrogen 2.892 N/A SER 514.A N GLY 511.A O no hydrogen 3.396 N/A SER 514.A OG LEU 510.A O no hydrogen 3.551 N/A SER 514.A OG GLY 511.A O no hydrogen 3.497 N/A LYS 516.A N MET 513.A O no hydrogen 3.139 N/A ARG 517.A N SER 514.A O no hydrogen 2.893 N/A ARG 517.A NH1 GLU 503.A OE1 no hydrogen 3.299 N/A ILE 520.A N ALA 504.A O no hydrogen 3.163 N/A ASN 521.A N GLY 502.A O no hydrogen 2.864 N/A ASN 521.A ND2 GLU 503.A OE2 no hydrogen 3.033 N/A LYS 522.A N THR 519.A OG1 no hydrogen 2.984 N/A LYS 522.A NZ ARG 517.A O no hydrogen 2.929 N/A ILE 523.A N THR 519.A O no hydrogen 3.024 N/A LEU 524.A N ILE 520.A O no hydrogen 2.867 N/A SER 525.A N.A ASN 521.A O no hydrogen 3.021 N/A SER 525.A N.B ASN 521.A O no hydrogen 3.023 N/A SER 525.A OG.A ASN 521.A O no hydrogen 3.142 N/A SER 525.A OG.A LYS 522.A O no hydrogen 3.409 N/A SER 525.A OG.B ASN 521.A O no hydrogen 2.989 N/A ASN 526.A N ILE 523.A O no hydrogen 3.200 N/A SER 528.A OG ASN 526.A OD1 no hydrogen 3.041 N/A LEU 529.A N ASN 526.A OD1 no hydrogen 2.908 N/A VAL 530.A N ASN 526.A O no hydrogen 3.138 N/A GLN 531.A N GLU 527.A O no hydrogen 3.189 N/A GLU 532.A N SER 528.A O no hydrogen 2.935 N/A ASN 533.A N LEU 529.A O no hydrogen 3.062 N/A ASN 533.A ND2 LEU 529.A O no hydrogen 2.922 N/A ASN 533.A ND2 PHE 565.A O no hydrogen 2.970 N/A LEU 534.A N VAL 530.A O no hydrogen 2.925 N/A TYR 535.A N GLN 531.A O no hydrogen 3.159 N/A PHE 536.A N GLU 532.A O no hydrogen 2.954 N/A GLN 537.A N ASN 533.A O no hydrogen 2.901 N/A GLN 537.A NE2 ASP 541.A OD1 no hydrogen 2.812 N/A ARG 538.A N LEU 534.A O no hydrogen 3.118 N/A CYS 539.A N TYR 535.A O no hydrogen 3.049 N/A CYS 539.A SG TYR 535.A O no hydrogen 3.531 N/A LEU 540.A N PHE 536.A O no hydrogen 2.953 N/A ASP 541.A N GLN 537.A O no hydrogen 2.802 N/A TRP 542.A N ARG 538.A O no hydrogen 2.961 N/A ASN 543.A N CYS 539.A O no hydrogen 3.279 N/A ASN 543.A ND2 TYR 455.A O no hydrogen 2.883 N/A ASN 543.A ND2 CYS 539.A O no hydrogen 2.932 N/A ARG 544.A N LEU 540.A O no hydrogen 2.856 N/A ARG 544.A NE GLU 555.A OE2 no hydrogen 2.867 N/A ARG 544.A NH1 ASP 560.A OD1 no hydrogen 3.390 N/A ARG 544.A NH1 ASP 560.A OD2 no hydrogen 2.854 N/A ARG 544.A NH2 GLU 555.A OE1 no hydrogen 2.796 N/A ARG 544.A NH2 ASP 560.A OD1 no hydrogen 2.981 N/A ASP 545.A N ASP 541.A O no hydrogen 3.049 N/A ILE 546.A N TRP 542.A O no hydrogen 3.218 N/A LEU 547.A N ASN 543.A O no hydrogen 2.823 N/A LYS 548.A N ARG 544.A O no hydrogen 2.933 N/A LYS 548.A NZ GLU 555.A OE2 no hydrogen 2.645 N/A LYS 549.A N ASP 545.A O no hydrogen 3.023 N/A GLU 550.A N ILE 546.A O no hydrogen 2.806 N/A LEU 551.A N LEU 547.A O no hydrogen 2.838 N/A LEU 553.A N LYS 548.A O no hydrogen 3.001 N/A THR 554.A N ASP 557.A OD2 no hydrogen 2.845 N/A THR 554.A OG1 ASP 557.A OD2 no hydrogen 3.455 N/A GLN 556.A N THR 554.A OG1 no hydrogen 3.138 N/A ASP 557.A N THR 554.A O no hydrogen 2.955 N/A ILE 558.A N GLU 555.A O no hydrogen 3.177 N/A ILE 559.A N LEU 481.A O no hydrogen 3.024 N/A LEU 561.A N MET 483.A O no hydrogen 2.840 N/A ALA 563.A N SER 485.A O no hydrogen 2.958 N/A PHE 565.A N ASN 533.A OD1 no hydrogen 2.989 N/A LYS 566.A N ARG 574.A O no hydrogen 2.820 N/A LYS 566.A NZ GLU 532.A OE1 no hydrogen 3.472 N/A LYS 566.A NZ GLU 532.A OE2 no hydrogen 3.022 N/A LYS 566.A NZ MET 567.A O no hydrogen 2.792 N/A MET 567.A N GLU 532.A OE1 no hydrogen 2.886 N/A ASP 568.A N ARG 572.A O no hydrogen 2.670 N/A ASP 570.A N ASP 568.A OD1 no hydrogen 2.672 N/A HIS 571.A N ASP 568.A O no hydrogen 3.037 N/A ARG 572.A N ASP 568.A OD1 no hydrogen 2.935 N/A ARG 572.A NE ASP 457.A O no hydrogen 2.794 N/A ARG 572.A NE ASP 457.A OD2 no hydrogen 3.335 N/A ARG 572.A NH2 ASP 457.A OD1 no hydrogen 3.070 N/A ALA 573.A N TRP 458.A O no hydrogen 2.753 N/A ARG 574.A N LYS 566.A O no hydrogen 2.992 N/A PHE 576.A N LEU 564.A O no hydrogen 2.875 N/A ASN 582.A N ASN 579.A O no hydrogen 3.309 N/A ASN 582.A ND2 ASP 465.A OD2 no hydrogen 3.151 N/A ILE 584.A N GLY 591.A O no hydrogen 2.814 N/A LEU 586.A N ASP 589.A O no hydrogen 2.806 N/A LYS 588.A NZ ASP 589.A OD2 no hydrogen 3.057 N/A LYS 588.A NZ GLU 620.A OE2 no hydrogen 2.904 N/A ASP 589.A N LEU 586.A O no hydrogen 2.961 N/A LEU 590.A N GLU 620.A O no hydrogen 2.858 N/A GLY 591.A N ILE 584.A O no hydrogen 2.831 N/A ILE 592.A N THR 622.A O no hydrogen 2.769 N/A LYS 594.A N ILE 624.A O no hydrogen 2.969 N/A LYS 594.A NZ GLU 607.A OE2 no hydrogen 2.886 N/A VAL 600.A N GLU 603.A O no hydrogen 2.929 N/A GLU 603.A N VAL 600.A O no hydrogen 3.244 N/A CYS 605.A N PRO 598.A O no hydrogen 2.899 N/A CYS 605.A SG PRO 598.A O no hydrogen 3.431 N/A MET 608.A N CYS 604.A O no hydrogen 3.083 N/A HIS 609.A N CYS 605.A O no hydrogen 3.068 N/A VAL 610.A N LEU 606.A O no hydrogen 2.981 N/A ARG 611.A N GLU 607.A O no hydrogen 2.915 N/A ARG 611.A NH1 GLU 615.A OE2 no hydrogen 2.801 N/A ARG 611.A NH1 CYS 621.A O no hydrogen 2.908 N/A ARG 611.A NH2 CYS 621.A O no hydrogen 3.391 N/A GLY 612.A N MET 608.A O no hydrogen 3.016 N/A LEU 613.A N HIS 609.A O no hydrogen 3.097 N/A LEU 613.A N VAL 610.A O no hydrogen 3.153 N/A LEU 614.A N VAL 610.A O no hydrogen 3.065 N/A GLU 615.A N ARG 611.A O no hydrogen 2.901 N/A LEU 617.A N LEU 614.A O no hydrogen 2.993 N/A GLY 618.A N GLU 615.A O no hydrogen 2.891 N/A GLU 620.A N LYS 588.A O no hydrogen 2.871 N/A THR 622.A N LEU 590.A O no hydrogen 2.933 N/A ILE 624.A N ILE 592.A O no hydrogen 2.792 N/A ASP 625.A N GLU 321.A OE1 no hydrogen 2.749 N/A SER 628.A N ASP 625.A OD2 no hydrogen 2.884 N/A SER 628.A OG ASP 625.A OD1 no hydrogen 2.794 N/A SER 628.A OG ASP 625.A OD2 no hydrogen 3.514 N/A TYR 630.A N ILE 627.A O no hydrogen 2.790 N/A HIS 631.A N SER 628.A O no hydrogen 3.031 N/A CYS 639.A SG ASP 626.A O no hydrogen 4.032 N/A GLY 640.A N CYS 310.A O.A no hydrogen 3.278 N/A GLY 640.A N CYS 310.A O.B no hydrogen 3.263 N/A THR 641.A N GLN 342.A OE1 no hydrogen 3.375 N/A ASN 642.A N PHE 308.A O no hydrogen 2.884 N/A ASN 642.A ND2 ILE 341.A O no hydrogen 2.787 N/A ASN 642.A ND2 ILE 345.A O no hydrogen 2.916 N/A ARG 644.A N SER 306.A O no hydrogen 2.855 N/A ARG 645.A NH1 LEU 302.A O no hydrogen 3.100 N/A ARG 645.A NH1 VAL 585.A O no hydrogen 3.092 N/A ARG 645.A NH2 ASN 300.A OD1 no hydrogen 3.425 N/A ARG 645.A NH2 VAL 585.A O no hydrogen 2.783 N/A LYS 646.A N PRO 303.A O no hydrogen 2.853 N/A LYS 651.A NZ GLU 351.A OE2 no hydrogen 2.658 N/A TRP 652.A NE1 GLU 351.A O no hydrogen 2.797 N/A HIS 654.A N LYS 651.A O no hydrogen 2.916 N/A MET 655.A N TRP 652.A O no hydrogen 3.129 N/A