Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9car_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH2 HIS 496.A NE2 no hydrogen 3.397 N/A LYS 4.A NZ TYR 16.A OH no hydrogen 2.801 N/A THR 5.A OG1 THR 533.A OG1 no hydrogen 3.009 N/A TYR 6.A N SER 532.A OG no hydrogen 2.925 N/A THR 7.A N ASP 10.A OD2 no hydrogen 2.755 N/A THR 7.A OG1 ASP 10.A OD2 no hydrogen 2.694 N/A TYR 11.A N THR 7.A O no hydrogen 3.264 N/A LEU 12.A N LEU 8.A O no hydrogen 2.680 N/A LYS 13.A N THR 9.A O no hydrogen 2.706 N/A LYS 13.A NZ GLN 712.A OE1 no hydrogen 2.797 N/A ASN 14.A N TYR 11.A O no hydrogen 3.270 N/A THR 15.A N ASP 10.A O no hydrogen 2.911 N/A LYS 19.A N ASN 460.A OD1 no hydrogen 2.592 N/A TYR 21.A OH TYR 31.A OH no hydrogen 2.762 N/A ARG 24.A N LEU 32.A O no hydrogen 3.144 N/A ARG 24.A NH1 TYR 68.A O no hydrogen 2.673 N/A ARG 24.A NH2 ASP 67.A OD1 no hydrogen 2.702 N/A ARG 24.A NH2 ASP 67.A OD2 no hydrogen 3.444 N/A TRP 25.A NE1 SER 423.A O no hydrogen 3.129 N/A SER 27.A N GLU 30.A O no hydrogen 3.119 N/A SER 27.A OG ASP 28.A OD1 no hydrogen 3.128 N/A SER 27.A OG HIS 29.A ND1 no hydrogen 3.177 N/A HIS 29.A ND1 SER 27.A OG no hydrogen 3.177 N/A TYR 31.A N PHE 42.A O no hydrogen 3.276 N/A TYR 31.A OH TYR 21.A OH no hydrogen 2.762 N/A LEU 32.A N ARG 24.A O no hydrogen 2.810 N/A TYR 33.A N LEU 40.A O no hydrogen 3.023 N/A GLN 35.A N ASN 38.A O no hydrogen 2.922 N/A ASN 38.A N GLN 35.A O no hydrogen 2.563 N/A ASN 38.A ND2 GLN 35.A O no hydrogen 3.652 N/A ILE 39.A N LEU 53.A O no hydrogen 3.070 N/A LEU 40.A N TYR 33.A O no hydrogen 3.164 N/A VAL 41.A N SER 50.A O no hydrogen 2.617 N/A PHE 42.A N TYR 31.A O no hydrogen 2.970 N/A ASN 43.A N ASN 48.A O no hydrogen 2.982 N/A ALA 44.A N HIS 29.A O no hydrogen 2.646 N/A TYR 46.A N ASN 43.A OD1 no hydrogen 2.976 N/A GLY 47.A N ASN 43.A O no hydrogen 2.745 N/A SER 50.A N VAL 41.A O no hydrogen 2.778 N/A SER 50.A OG VAL 41.A O no hydrogen 3.435 N/A PHE 52.A N ILE 39.A O no hydrogen 2.665 N/A LEU 53.A N ILE 39.A O no hydrogen 3.058 N/A ASN 55.A N ASN 38.A OD1 no hydrogen 2.527 N/A ASN 55.A ND2 GLU 36.A O no hydrogen 3.393 N/A SER 56.A N ASN 55.A OD1 no hydrogen 2.917 N/A THR 57.A N GLU 54.A O no hydrogen 2.860 N/A THR 57.A OG1 GLU 54.A O no hydrogen 2.719 N/A PHE 58.A N ASN 55.A O no hydrogen 3.129 N/A ASP 59.A N SER 56.A O no hydrogen 2.849 N/A PHE 61.A N PHE 58.A O no hydrogen 3.329 N/A ASN 66.A N GLU 80.A O no hydrogen 2.538 N/A TYR 68.A N ASP 67.A OD1 no hydrogen 2.640 N/A SER 69.A N LEU 78.A O no hydrogen 3.045 N/A SER 71.A N PHE 76.A O no hydrogen 2.939 N/A SER 71.A OG GLY 124.A O no hydrogen 2.937 N/A ASP 73.A N SER 71.A OG no hydrogen 3.371 N/A ILE 77.A N TYR 98.A O no hydrogen 2.913 N/A LEU 78.A N SER 69.A O no hydrogen 2.846 N/A LEU 79.A N ASP 96.A O no hydrogen 3.038 N/A GLU 80.A N ASP 67.A O no hydrogen 2.921 N/A TYR 81.A N SER 94.A O no hydrogen 2.843 N/A TYR 81.A OH ASP 96.A OD1 no hydrogen 3.009 N/A VAL 84.A N THR 92.A O no hydrogen 2.715 N/A LYS 85.A NZ GLN 86.A O no hydrogen 3.228 N/A LYS 85.A NZ TRP 87.A O no hydrogen 3.025 N/A GLN 86.A N SER 90.A O no hydrogen 2.872 N/A TRP 87.A N SER 90.A OG no hydrogen 2.717 N/A ARG 88.A NE GLU 168.A OE1 no hydrogen 2.923 N/A ARG 88.A NH2 GLU 168.A OE1 no hydrogen 3.452 N/A HIS 89.A N GLU 167.A OE2 no hydrogen 2.860 N/A SER 90.A N GLU 167.A OE2 no hydrogen 2.549 N/A SER 90.A OG GLU 167.A OE1 no hydrogen 3.182 N/A SER 90.A OG GLU 167.A OE2 no hydrogen 2.990 N/A TYR 91.A OH TYR 95.A OH no hydrogen 2.641 N/A THR 92.A N VAL 84.A O no hydrogen 2.749 N/A THR 92.A OG1 VAL 84.A O no hydrogen 3.423 N/A ALA 93.A N THR 115.A O no hydrogen 3.259 N/A SER 94.A N TYR 81.A O no hydrogen 2.760 N/A SER 94.A OG ASN 113.A OD1 no hydrogen 2.560 N/A ASP 96.A N LEU 79.A O no hydrogen 2.957 N/A TYR 98.A N ILE 77.A O no hydrogen 2.751 N/A ASP 99.A N GLN 104.A O no hydrogen 2.756 N/A LEU 100.A N GLN 75.A O no hydrogen 2.995 N/A ASN 101.A N ASP 99.A OD1 no hydrogen 2.689 N/A LYS 102.A N ASP 99.A OD1 no hydrogen 2.721 N/A ARG 103.A NH1 LEU 100.A O no hydrogen 3.481 N/A ILE 106.A N ILE 97.A O no hydrogen 2.819 N/A ARG 110.A NE ILE 106.A O no hydrogen 2.879 N/A THR 115.A N ALA 93.A O no hydrogen 2.964 N/A GLN 116.A N VAL 130.A O no hydrogen 2.866 N/A GLN 116.A NE2 ASN 133.A OD1 no hydrogen 3.115 N/A TRP 117.A N VAL 130.A O no hydrogen 3.462 N/A THR 119.A N ALA 128.A O no hydrogen 2.897 N/A THR 119.A OG1 TRP 120.A O no hydrogen 3.067 N/A TRP 120.A NE1 SER 69.A O no hydrogen 2.984 N/A SER 121.A N LYS 126.A O no hydrogen 2.890 N/A SER 121.A OG VAL 123.A O no hydrogen 2.833 N/A HIS 125.A ND1 ASP 73.A OD2 no hydrogen 3.001 N/A HIS 125.A NE2 GLU 140.A OE1 no hydrogen 2.886 N/A LYS 126.A N SER 121.A OG no hydrogen 3.360 N/A LYS 126.A NZ GLY 183.A O no hydrogen 3.268 N/A LYS 126.A NZ THR 236.A OG1 no hydrogen 3.050 N/A LYS 126.A NZ ASP 237.A OD1 no hydrogen 2.694 N/A LEU 127.A N LYS 138.A O no hydrogen 2.959 N/A ALA 128.A N THR 119.A O no hydrogen 2.969 N/A TYR 129.A N TYR 136.A O no hydrogen 2.830 N/A TYR 129.A OH SER 145.A OG no hydrogen 2.774 N/A VAL 130.A N TRP 117.A O no hydrogen 2.779 N/A TRP 131.A N ASP 134.A O no hydrogen 2.735 N/A ASN 133.A ND2 ILE 157.A O no hydrogen 3.456 N/A ILE 135.A N THR 149.A OG1 no hydrogen 2.892 N/A TYR 136.A N TYR 129.A O no hydrogen 2.797 N/A VAL 137.A N TYR 146.A O no hydrogen 2.717 N/A LYS 138.A N LEU 127.A O no hydrogen 2.597 N/A LYS 138.A NZ GLU 109.A O no hydrogen 2.873 N/A LYS 138.A NZ LEU 143.A O no hydrogen 2.630 N/A LEU 143.A N GLU 140.A O no hydrogen 2.959 N/A SER 145.A OG TYR 129.A OH no hydrogen 2.774 N/A TYR 146.A N VAL 137.A O no hydrogen 2.765 N/A ARG 147.A NE THR 149.A O no hydrogen 3.098 N/A ILE 148.A N ILE 135.A O no hydrogen 2.757 N/A THR 149.A OG1 ASP 134.A OD1 no hydrogen 2.424 N/A LYS 153.A N ILE 157.A O no hydrogen 3.036 N/A TYR 158.A N PHE 191.A O no hydrogen 2.808 N/A ASN 159.A ND2 THR 151.A OG1 no hydrogen 2.948 N/A GLY 160.A N ALA 189.A O no hydrogen 3.117 N/A THR 162.A OG1 ALA 173.A O no hydrogen 2.583 N/A TRP 164.A NE1 ASP 672.A OD2 no hydrogen 2.982 N/A GLU 167.A N ASP 163.A O no hydrogen 2.789 N/A GLU 168.A N TRP 164.A O no hydrogen 2.872 N/A GLU 169.A N TYR 166.A O no hydrogen 3.368 N/A PHE 171.A N TYR 166.A O no hydrogen 2.768 N/A SER 172.A N TYR 166.A O no hydrogen 3.365 N/A TYR 174.A OH GLN 116.A OE1 no hydrogen 2.518 N/A ALA 176.A N GLY 160.A O no hydrogen 2.785 N/A TRP 178.A N ALA 187.A O no hydrogen 2.579 N/A SER 180.A N PHE 185.A O no hydrogen 2.686 N/A SER 180.A OG PHE 185.A O no hydrogen 3.265 N/A GLY 183.A N SER 180.A O no hydrogen 2.664 N/A THR 184.A N ASN 182.A OD1 no hydrogen 3.094 N/A THR 184.A OG1 ASN 182.A OD1 no hydrogen 3.006 N/A THR 184.A OG1 ASP 237.A OD2 no hydrogen 2.795 N/A PHE 185.A N SER 180.A OG no hydrogen 2.716 N/A LEU 186.A N VAL 234.A O no hydrogen 2.916 N/A ALA 187.A N TRP 178.A O no hydrogen 2.675 N/A TYR 188.A N PHE 232.A O no hydrogen 2.823 N/A TYR 188.A OH SER 247.A OG no hydrogen 3.147 N/A GLN 190.A N LYS 230.A O no hydrogen 2.866 N/A GLN 190.A NE2 ASN 159.A OD1 no hydrogen 3.486 N/A PHE 191.A N TYR 158.A O no hydrogen 2.835 N/A ASN 192.A N THR 228.A O no hydrogen 2.769 N/A ASP 193.A N ILE 156.A O no hydrogen 2.744 N/A THR 194.A N ASN 192.A OD1 no hydrogen 3.123 N/A THR 194.A OG1 ASN 192.A OD1 no hydrogen 2.549 N/A ILE 199.A N VAL 217.A O no hydrogen 2.909 N/A TYR 201.A N VAL 215.A O no hydrogen 2.941 N/A PHE 203.A N LYS 213.A O no hydrogen 2.530 N/A TYR 204.A N ASP 700.A OD1 no hydrogen 3.082 N/A LEU 209.A N ASP 206.A OD1 no hydrogen 2.937 N/A LYS 213.A N PHE 203.A O no hydrogen 2.815 N/A VAL 215.A N TYR 201.A O no hydrogen 2.601 N/A VAL 217.A N ILE 199.A O no hydrogen 2.997 N/A TYR 219.A N PRO 197.A O no hydrogen 3.078 N/A TYR 219.A OH ASN 673.A O no hydrogen 3.159 N/A LYS 221.A NZ TYR 624.A O no hydrogen 2.714 N/A LYS 221.A NZ HIS 675.A ND1 no hydrogen 3.074 N/A LYS 221.A NZ GLN 677.A OE1 no hydrogen 3.490 N/A ALA 222.A N TYR 625.A O no hydrogen 2.899 N/A GLY 223.A N GLU 631.A OE1 no hydrogen 2.751 N/A ALA 224.A N LYS 221.A O no hydrogen 2.715 N/A THR 228.A N ASN 192.A O no hydrogen 3.027 N/A LYS 230.A N GLN 190.A O no hydrogen 2.976 N/A PHE 232.A N TYR 188.A O no hydrogen 2.811 N/A VAL 233.A N ILE 248.A O no hydrogen 2.768 N/A VAL 234.A N LEU 186.A O no hydrogen 3.201 N/A THR 236.A N THR 184.A O no hydrogen 2.860 N/A THR 236.A OG1 GLY 183.A O no hydrogen 2.947 N/A THR 236.A OG1 THR 184.A O no hydrogen 2.799 N/A THR 236.A OG1 ASP 237.A OD1 no hydrogen 3.411 N/A SER 238.A N ASN 235.A O no hydrogen 3.243 N/A SER 238.A OG ASN 235.A OD1 no hydrogen 3.169 N/A LEU 239.A N THR 236.A O no hydrogen 3.136 N/A SER 240.A OG THR 243.A O no hydrogen 3.392 N/A THR 243.A OG1 SER 240.A OG no hydrogen 3.069 N/A SER 247.A OG TYR 188.A OH no hydrogen 3.147 N/A ILE 248.A N VAL 233.A O no hydrogen 2.835 N/A THR 251.A OG1 ALA 252.A O no hydrogen 3.399 N/A MET 256.A N PRO 253.A O no hydrogen 2.877 N/A LEU 257.A N PRO 253.A O no hydrogen 3.090 N/A ILE 258.A N ALA 254.A O no hydrogen 3.204 N/A GLY 259.A N MET 256.A O no hydrogen 3.459 N/A HIS 261.A ND1 MET 256.A O no hydrogen 3.291 N/A TYR 262.A N LEU 279.A O no hydrogen 2.615 N/A CYS 264.A N GLN 277.A O no hydrogen 2.694 N/A CYS 264.A SG PRO 322.A O no hydrogen 3.302 N/A THR 267.A N SER 275.A O no hydrogen 2.983 N/A TRP 268.A NE1 TRP 178.A O no hydrogen 3.054 N/A ALA 269.A N ARG 273.A O no hydrogen 2.803 N/A THR 270.A N ARG 273.A O no hydrogen 3.181 N/A GLU 272.A N THR 270.A OG1 no hydrogen 2.902 N/A ARG 273.A NH2 ASN 332.A OD1 no hydrogen 2.947 N/A ILE 274.A N CYS 291.A O no hydrogen 2.777 N/A SER 275.A N THR 267.A O no hydrogen 2.811 N/A SER 275.A OG THR 267.A O no hydrogen 2.701 N/A LEU 276.A N ASP 289.A O no hydrogen 2.878 N/A GLN 277.A N ASP 265.A O no hydrogen 2.936 N/A GLN 277.A NE2 SER 323.A O no hydrogen 2.627 N/A TRP 278.A N VAL 287.A O no hydrogen 3.010 N/A LEU 279.A N TYR 262.A O no hydrogen 2.863 N/A ARG 280.A N TYR 285.A O no hydrogen 3.370 N/A ARG 280.A NH1 SER 255.A O no hydrogen 3.052 N/A ARG 281.A N ASP 260.A O no hydrogen 2.711 N/A GLN 283.A NE2 VAL 628.A O no hydrogen 2.593 N/A ASN 284.A N ILE 282.A O no hydrogen 2.707 N/A SER 286.A N GLU 310.A O no hydrogen 3.140 N/A SER 286.A OG GLU 310.A O no hydrogen 3.219 N/A VAL 287.A N TRP 278.A O no hydrogen 2.991 N/A MET 288.A N HIS 308.A O no hydrogen 2.799 N/A ASP 289.A N LEU 276.A O no hydrogen 2.692 N/A CYS 291.A N ILE 274.A O no hydrogen 2.679 N/A CYS 291.A SG ASP 289.A O no hydrogen 3.397 N/A ASP 292.A N ASN 301.A O no hydrogen 3.083 N/A TYR 293.A N GLU 272.A O no hydrogen 2.973 N/A ASP 294.A N ARG 299.A O no hydrogen 3.049 N/A SER 296.A OG ASP 294.A OD1 no hydrogen 3.158 N/A SER 296.A OG ASP 294.A OD2 no hydrogen 2.554 N/A SER 297.A N ASP 294.A OD2 no hydrogen 2.912 N/A SER 297.A OG ASP 294.A OD2 no hydrogen 2.680 N/A GLY 298.A N GLU 295.A O no hydrogen 3.152 N/A ARG 299.A N ASP 294.A O no hydrogen 3.293 N/A ASN 301.A N ASP 292.A O no hydrogen 2.838 N/A CYS 302.A SG LEU 303.A O no hydrogen 3.907 N/A ARG 306.A N LEU 303.A O no hydrogen 3.075 N/A ARG 306.A NE ILE 290.A O no hydrogen 3.112 N/A ARG 306.A NH1 ASP 292.A OD2 no hydrogen 3.218 N/A ARG 306.A NH2 ILE 290.A O no hydrogen 2.579 N/A GLN 307.A N VAL 304.A O no hydrogen 3.207 N/A HIS 308.A N MET 288.A O no hydrogen 2.966 N/A GLU 310.A N SER 286.A O no hydrogen 2.824 N/A SER 312.A N ASN 284.A O no hydrogen 3.330 N/A SER 312.A OG GLY 315.A O no hydrogen 3.041 N/A GLY 315.A N SER 312.A OG no hydrogen 3.254 N/A VAL 317.A N GLN 283.A O no hydrogen 3.299 N/A ARG 319.A NE GLU 366.A OE2 no hydrogen 2.698 N/A ARG 319.A NH1 ILE 368.A O no hydrogen 2.922 N/A ARG 319.A NH2 GLU 366.A OE2 no hydrogen 3.042 N/A ARG 319.A NH2 VAL 367.A O no hydrogen 2.620 N/A ARG 321.A NH1 VAL 170.A O no hydrogen 2.741 N/A HIS 326.A N TYR 335.A O no hydrogen 2.918 N/A THR 328.A N SER 333.A O no hydrogen 2.783 N/A THR 328.A OG1 SER 333.A O no hydrogen 3.005 N/A THR 328.A OG1 SER 333.A OG no hydrogen 2.833 N/A ASN 332.A ND2 ASP 330.A OD2 no hydrogen 2.577 N/A SER 333.A OG THR 328.A OG1 no hydrogen 2.833 N/A PHE 334.A N PHE 350.A O no hydrogen 2.909 N/A TYR 335.A N HIS 326.A O no hydrogen 3.007 N/A LYS 336.A N CYS 348.A O no hydrogen 3.424 N/A ILE 338.A N HIS 346.A O no hydrogen 2.912 N/A SER 339.A OG ASN 340.A O no hydrogen 3.395 N/A SER 339.A OG ASP 551.A OD2 no hydrogen 2.654 N/A ASN 340.A N TYR 344.A O no hydrogen 2.930 N/A GLU 341.A N GLU 341.A OE1 no hydrogen 2.558 N/A GLY 343.A N ASN 340.A OD1 no hydrogen 2.653 N/A TYR 344.A N ASN 340.A OD1 no hydrogen 2.519 N/A HIS 346.A N ILE 338.A O no hydrogen 2.791 N/A HIS 346.A NE2 GLY 363.A O no hydrogen 3.112 N/A ILE 347.A N THR 361.A OG1 no hydrogen 2.965 N/A CYS 348.A N LYS 336.A O no hydrogen 2.749 N/A TYR 349.A N THR 358.A O no hydrogen 2.769 N/A PHE 350.A N PHE 334.A O no hydrogen 2.735 N/A GLN 351.A NE2 TYR 349.A OH no hydrogen 3.102 N/A ILE 352.A N ASN 332.A O no hydrogen 3.360 N/A LYS 354.A N GLN 351.A O no hydrogen 3.174 N/A LYS 355.A NZ ASP 356.A OD1 no hydrogen 2.679 N/A CYS 357.A SG TYR 349.A O no hydrogen 3.320 N/A THR 358.A N TYR 349.A O no hydrogen 3.132 N/A THR 358.A OG1 TYR 349.A O no hydrogen 3.440 N/A ILE 360.A N ILE 347.A O no hydrogen 3.124 N/A GLU 366.A N ASN 383.A OD1 no hydrogen 2.738 N/A VAL 367.A N ARG 345.A O no hydrogen 3.129 N/A ILE 368.A N ILE 381.A O no hydrogen 2.702 N/A GLY 369.A N ILE 381.A O no hydrogen 3.335 N/A GLU 371.A N TYR 379.A O no hydrogen 2.622 N/A ALA 372.A N TYR 379.A O no hydrogen 3.386 N/A THR 374.A N TYR 377.A O no hydrogen 2.736 N/A SER 375.A OG ASP 376.A OD1 no hydrogen 2.954 N/A LEU 378.A N ILE 397.A O no hydrogen 3.109 N/A TYR 379.A N ALA 372.A O no hydrogen 2.752 N/A TYR 380.A N TYR 395.A O no hydrogen 2.894 N/A ILE 381.A N GLY 369.A O no hydrogen 2.916 N/A SER 382.A N ASN 393.A O no hydrogen 3.058 N/A ASN 383.A ND2 TYR 548.A O no hydrogen 2.825 N/A GLY 387.A N GLU 384.A O no hydrogen 2.843 N/A MET 388.A N TYR 385.A O no hydrogen 3.170 N/A GLY 391.A N MET 388.A O no hydrogen 3.113 N/A ARG 392.A N GLN 418.A O no hydrogen 3.213 N/A ARG 392.A NH1 PRO 389.A O no hydrogen 2.947 N/A ARG 392.A NH1 GLY 391.A O no hydrogen 2.985 N/A ARG 392.A NH1 GLN 516.A OE1 no hydrogen 3.435 N/A ARG 392.A NH2 GLN 516.A OE1 no hydrogen 2.735 N/A ASN 393.A N SER 382.A O no hydrogen 3.094 N/A LEU 394.A N SER 409.A OG no hydrogen 2.856 N/A TYR 395.A N TYR 380.A O no hydrogen 2.862 N/A LYS 396.A N THR 406.A O no hydrogen 2.882 N/A ILE 397.A N LEU 378.A O no hydrogen 2.977 N/A GLN 398.A N LYS 404.A O no hydrogen 3.032 N/A LEU 399.A N ASP 376.A O no hydrogen 2.961 N/A THR 403.A OG1 ASP 401.A OD1 no hydrogen 2.620 N/A THR 403.A OG1 ASP 401.A OD2 no hydrogen 3.263 N/A LYS 404.A N ASP 401.A O no hydrogen 2.976 N/A THR 406.A N LYS 396.A O no hydrogen 2.797 N/A CYS 407.A SG GLU 411.A OE2 no hydrogen 3.322 N/A LEU 408.A N LEU 394.A O no hydrogen 2.796 N/A SER 409.A OG ASN 393.A OD1 no hydrogen 3.244 N/A CYS 410.A SG TYR 395.A OH no hydrogen 3.125 N/A LEU 412.A N SER 409.A O no hydrogen 3.402 N/A GLU 415.A N GLU 415.A OE1 no hydrogen 2.664 N/A ARG 416.A NE LEU 440.A O no hydrogen 2.676 N/A ARG 416.A NH1 ASP 459.A O no hydrogen 3.525 N/A ARG 416.A NH2 LEU 440.A O no hydrogen 2.952 N/A ARG 416.A NH2 ASP 459.A O no hydrogen 2.726 N/A CYS 417.A N ASN 413.A O no hydrogen 2.792 N/A GLN 418.A N GLY 437.A O no hydrogen 2.629 N/A GLN 418.A NE2 PRO 414.A O no hydrogen 3.595 N/A TYR 419.A N GLY 437.A O no hydrogen 3.036 N/A TYR 420.A N ARG 392.A O no hydrogen 2.603 N/A SER 421.A N ARG 434.A O no hydrogen 2.734 N/A SER 423.A N GLN 432.A O no hydrogen 3.227 N/A SER 425.A N TYR 430.A O no hydrogen 2.722 N/A SER 425.A OG ASP 28.A O no hydrogen 3.438 N/A SER 425.A OG TYR 430.A O no hydrogen 3.083 N/A ALA 428.A N SER 425.A O no hydrogen 3.192 N/A LYS 429.A NZ ASP 28.A OD2 no hydrogen 3.358 N/A TYR 430.A N SER 425.A OG no hydrogen 2.959 N/A TYR 431.A N HIS 446.A O no hydrogen 3.118 N/A GLN 432.A N SER 423.A O no hydrogen 3.174 N/A GLN 432.A NE2 TYR 21.A O no hydrogen 2.873 N/A LEU 433.A N THR 444.A O no hydrogen 2.837 N/A ARG 434.A N SER 421.A O no hydrogen 2.726 N/A ARG 434.A NH1 TYR 21.A O no hydrogen 3.566 N/A CYS 435.A N LEU 442.A O no hydrogen 2.970 N/A CYS 435.A SG LEU 442.A O no hydrogen 4.046 N/A SER 436.A N TYR 419.A O no hydrogen 2.869 N/A GLY 439.A N ARG 416.A O no hydrogen 2.644 N/A LEU 442.A N CYS 435.A O no hydrogen 3.121 N/A TYR 443.A N GLU 458.A O no hydrogen 2.668 N/A THR 444.A N LEU 433.A O no hydrogen 3.026 N/A THR 444.A OG1 LEU 433.A O no hydrogen 3.159 N/A THR 444.A OG1 HIS 446.A NE2 no hydrogen 2.913 N/A LEU 445.A N ARG 455.A O no hydrogen 2.896 N/A HIS 446.A N TYR 431.A O no hydrogen 2.870 N/A HIS 446.A NE2 THR 444.A OG1 no hydrogen 2.913 N/A SER 447.A N LYS 452.A O no hydrogen 2.654 N/A SER 447.A OG LYS 452.A O no hydrogen 3.122 N/A SER 448.A N LYS 429.A O no hydrogen 2.785 N/A SER 448.A OG ALA 428.A O no hydrogen 2.785 N/A SER 448.A OG LYS 429.A O no hydrogen 3.498 N/A ASP 451.A N SER 448.A O no hydrogen 3.381 N/A LYS 452.A N SER 447.A O no hydrogen 3.019 N/A ARG 455.A N LEU 445.A O no hydrogen 3.197 N/A ARG 455.A NH1 ALA 44.A O no hydrogen 2.540 N/A ARG 455.A NH2 ALA 44.A O no hydrogen 2.997 N/A LEU 457.A N TYR 443.A O no hydrogen 2.761 N/A GLU 458.A N TYR 443.A O no hydrogen 3.087 N/A ASP 459.A N GLU 458.A OE2 no hydrogen 3.192 N/A ASN 460.A N GLU 458.A OE2 no hydrogen 2.812 N/A ASN 460.A ND2 LYS 19.A O no hydrogen 2.764 N/A ASN 460.A ND2 PRO 441.A O no hydrogen 3.048 N/A SER 461.A N ASP 459.A OD1 no hydrogen 3.345 N/A ASP 464.A N ASN 460.A O no hydrogen 3.115 N/A LYS 465.A N SER 461.A O no hydrogen 3.050 N/A MET 466.A N ALA 462.A O no hydrogen 3.049 N/A LEU 467.A N LEU 463.A O no hydrogen 2.788 N/A GLN 468.A N ASP 464.A O no hydrogen 3.073 N/A GLN 468.A N LYS 465.A O no hydrogen 3.103 N/A GLN 468.A NE2 ASP 464.A O no hydrogen 2.868 N/A ASN 469.A N MET 466.A O no hydrogen 3.066 N/A ASN 469.A ND2 MET 466.A O no hydrogen 3.167 N/A GLN 471.A N LYS 4.A O no hydrogen 2.824 N/A GLN 471.A NE2 ARG 3.A O no hydrogen 2.576 N/A SER 474.A N LEU 493.A O no hydrogen 3.054 N/A LYS 475.A NZ GLN 490.A OE1 no hydrogen 3.267 N/A LYS 475.A NZ ASP 519.A O no hydrogen 2.965 N/A LYS 475.A NZ ASP 519.A OD1 no hydrogen 3.213 N/A LYS 475.A NZ VAL 521.A O no hydrogen 3.238 N/A LYS 476.A N MET 491.A O no hydrogen 2.819 N/A ASP 478.A N TYR 489.A O no hydrogen 2.983 N/A ILE 480.A N PHE 487.A O no hydrogen 2.768 N/A LEU 482.A N THR 485.A O no hydrogen 2.787 N/A THR 485.A N LEU 482.A O no hydrogen 2.857 N/A THR 485.A OG1 LEU 482.A O no hydrogen 2.479 N/A PHE 487.A N ILE 480.A O no hydrogen 3.103 N/A TYR 489.A N ASP 478.A O no hydrogen 2.710 N/A GLN 490.A N SER 540.A O no hydrogen 2.870 N/A MET 491.A N LYS 476.A O no hydrogen 2.706 N/A ILE 492.A N VAL 538.A O no hydrogen 2.730 N/A HIS 496.A NE2 ASP 1.A OD2 no hydrogen 3.006 N/A ASP 498.A N TYR 503.A OH no hydrogen 2.696 N/A SER 500.A N ASP 498.A OD1 no hydrogen 3.339 N/A SER 500.A OG ASP 498.A OD1 no hydrogen 3.070 N/A SER 500.A OG ASP 498.A OD2 no hydrogen 2.835 N/A LYS 502.A NZ GLY 580.A O no hydrogen 3.460 N/A TYR 503.A N PHE 581.A O no hydrogen 2.723 N/A LEU 505.A N ARG 586.A O no hydrogen 3.280 N/A LEU 506.A N ILE 537.A O no hydrogen 2.862 N/A LEU 507.A N ALA 588.A O no hydrogen 2.804 N/A VAL 509.A N TRP 590.A O no hydrogen 2.921 N/A CYS 514.A N GLY 545.A O no hydrogen 2.571 N/A GLN 516.A NE2 PRO 389.A O no hydrogen 2.737 N/A LYS 517.A N ASP 542.A OD1 no hydrogen 2.783 N/A LYS 517.A N ASP 542.A OD2 no hydrogen 2.900 N/A LYS 517.A NZ ASP 508.A OD2 no hydrogen 2.990 N/A ALA 518.A N ASP 542.A OD2 no hydrogen 2.627 N/A ASP 519.A N GLN 490.A OE1 no hydrogen 3.289 N/A THR 520.A OG1 GLY 390.A O no hydrogen 3.274 N/A VAL 521.A N ASP 519.A OD1 no hydrogen 3.111 N/A PHE 522.A N SER 436.A O no hydrogen 2.862 N/A ARG 523.A NH1 ASP 519.A OD2 no hydrogen 3.017 N/A ARG 523.A NH2 ASP 519.A OD2 no hydrogen 2.761 N/A ASN 525.A N THR 528.A OG1 no hydrogen 3.305 N/A TRP 526.A NE1 SER 719.A OG no hydrogen 2.898 N/A THR 528.A N ASN 525.A OD1 no hydrogen 3.361 N/A THR 528.A OG1 ARG 523.A O no hydrogen 3.247 N/A TYR 529.A OH GLU 534.A OE2 no hydrogen 3.028 N/A LEU 530.A N TRP 526.A O no hydrogen 2.905 N/A ALA 531.A N ALA 527.A O no hydrogen 2.757 N/A SER 532.A N THR 528.A O no hydrogen 2.780 N/A SER 532.A OG GLN 471.A O no hydrogen 2.891 N/A THR 533.A N TYR 529.A O no hydrogen 2.750 N/A THR 533.A OG1 THR 5.A OG1 no hydrogen 3.009 N/A THR 533.A OG1 TYR 6.A O no hydrogen 2.778 N/A ASN 535.A ND2 ALA 531.A O no hydrogen 3.525 N/A ILE 536.A N LEU 530.A O no hydrogen 3.082 N/A ILE 537.A N PRO 504.A O no hydrogen 2.907 N/A ALA 539.A N LEU 506.A O no hydrogen 2.977 N/A SER 540.A N GLN 490.A O no hydrogen 2.872 N/A SER 540.A OG ASP 508.A O no hydrogen 3.033 N/A ASP 542.A N TRP 488.A O no hydrogen 3.120 N/A ARG 544.A N ASP 568.A OD2 no hydrogen 2.690 N/A ARG 544.A NE ASP 568.A OD1 no hydrogen 3.131 N/A ARG 544.A NE ASP 568.A OD2 no hydrogen 3.069 N/A ARG 544.A NH2 PHE 564.A O no hydrogen 3.549 N/A ARG 544.A NH2 GLU 567.A OE1 no hydrogen 3.245 N/A ARG 544.A NH2 ASP 568.A OD1 no hydrogen 2.737 N/A GLY 545.A N ILE 553.A O no hydrogen 2.677 N/A SER 546.A N GLY 543.A O no hydrogen 2.931 N/A SER 546.A OG GLY 543.A O no hydrogen 2.765 N/A SER 546.A OG GLN 549.A OE1 no hydrogen 2.835 N/A GLY 547.A N SER 515.A O no hydrogen 3.337 N/A ASP 551.A N GLY 343.A O no hydrogen 2.634 N/A MET 554.A N GLY 550.A O no hydrogen 3.158 N/A HIS 555.A N ASP 551.A O no hydrogen 2.610 N/A ALA 556.A N ILE 553.A O no hydrogen 3.470 N/A ASN 558.A N HIS 555.A O no hydrogen 3.193 N/A ARG 559.A N TYR 633.A O no hydrogen 2.593 N/A ARG 559.A NH1 ASP 641.A OD2 no hydrogen 3.472 N/A ARG 560.A N ILE 557.A O no hydrogen 2.927 N/A ARG 560.A NH2 ALA 556.A O no hydrogen 2.660 N/A GLY 562.A N GLU 565.A OE2 no hydrogen 2.548 N/A THR 563.A OG1 ARG 560.A O no hydrogen 2.524 N/A PHE 564.A N THR 563.A OG1 no hydrogen 2.509 N/A GLU 565.A N GLU 565.A OE1 no hydrogen 2.918 N/A GLU 567.A N THR 563.A O no hydrogen 3.123 N/A ASP 568.A N PHE 564.A O no hydrogen 2.819 N/A GLN 569.A N GLU 565.A O no hydrogen 3.068 N/A GLN 569.A NE2 PHE 541.A O no hydrogen 3.340 N/A ILE 570.A N VAL 566.A O no hydrogen 3.272 N/A GLU 571.A N GLU 567.A O no hydrogen 2.912 N/A ALA 572.A N ASP 568.A O no hydrogen 2.714 N/A ALA 573.A N GLN 569.A O no hydrogen 3.030 N/A ARG 574.A N ILE 570.A O no hydrogen 3.097 N/A ARG 574.A NE GLU 571.A OE2 no hydrogen 2.797 N/A ARG 574.A NH2 GLU 571.A OE2 no hydrogen 3.134 N/A GLN 575.A N GLU 571.A O no hydrogen 2.957 N/A PHE 576.A N ALA 572.A O no hydrogen 2.753 N/A SER 577.A N ALA 573.A O no hydrogen 2.726 N/A SER 577.A OG ALA 573.A O no hydrogen 3.457 N/A SER 577.A OG ARG 574.A O no hydrogen 2.539 N/A LYS 578.A N ARG 574.A O no hydrogen 3.073 N/A LYS 578.A NZ GLN 575.A OE1 no hydrogen 2.776 N/A MET 579.A N PHE 576.A O no hydrogen 3.146 N/A ASP 583.A N TYR 503.A O no hydrogen 2.938 N/A LYS 585.A N ASP 583.A OD1 no hydrogen 3.133 N/A ARG 586.A N ASP 583.A O no hydrogen 2.921 N/A ARG 586.A NE ASP 583.A OD2 no hydrogen 2.781 N/A ARG 586.A NH1 PHE 726.A O no hydrogen 2.912 N/A ARG 586.A NH2 ASP 583.A OD2 no hydrogen 3.462 N/A ALA 588.A N LEU 505.A O no hydrogen 2.787 N/A ILE 589.A N CYS 612.A O no hydrogen 3.299 N/A TRP 590.A N LEU 507.A O no hydrogen 3.409 N/A GLY 591.A N ILE 614.A O no hydrogen 3.236 N/A TRP 592.A NE1 HIS 703.A O no hydrogen 2.980 N/A SER 593.A N VAL 616.A O no hydrogen 3.158 N/A TYR 594.A OH GLU 565.A OE2 no hydrogen 2.698 N/A GLY 595.A N TRP 592.A O no hydrogen 2.843 N/A TYR 597.A N SER 593.A O no hydrogen 2.980 N/A TYR 597.A OH SER 649.A O no hydrogen 2.842 N/A VAL 598.A N TYR 594.A O no hydrogen 2.857 N/A THR 599.A N GLY 595.A O no hydrogen 2.666 N/A THR 599.A OG1 GLY 595.A O no hydrogen 2.616 N/A SER 600.A N GLY 596.A O no hydrogen 2.829 N/A SER 600.A OG GLY 596.A O no hydrogen 2.812 N/A SER 600.A OG TYR 663.A OH no hydrogen 2.650 N/A MET 601.A N TYR 597.A O no hydrogen 2.870 N/A VAL 602.A N VAL 598.A O no hydrogen 2.752 N/A LEU 603.A N THR 599.A O no hydrogen 3.027 N/A GLY 604.A N SER 600.A O no hydrogen 2.879 N/A SER 605.A N VAL 602.A O no hydrogen 3.264 N/A SER 605.A OG VAL 602.A O no hydrogen 2.547 N/A SER 605.A OG SER 607.A OG no hydrogen 3.161 N/A SER 607.A N SER 605.A OG no hydrogen 3.193 N/A SER 607.A OG SER 605.A OG no hydrogen 3.161 N/A LYS 611.A N ILE 587.A O no hydrogen 2.759 N/A LYS 611.A NZ CYS 725.A O no hydrogen 2.725 N/A GLY 613.A N GLU 662.A O no hydrogen 2.809 N/A ILE 614.A N ILE 589.A O no hydrogen 3.186 N/A ALA 615.A N LEU 664.A O no hydrogen 2.907 N/A VAL 616.A N GLY 591.A O no hydrogen 3.104 N/A ALA 617.A N ILE 666.A O no hydrogen 2.731 N/A SER 620.A OG GLN 678.A O no hydrogen 3.312 N/A ARG 621.A NE GLU 623.A OE2 no hydrogen 2.664 N/A TYR 624.A N ARG 621.A O no hydrogen 3.127 N/A TYR 625.A OH ASN 673.A OD1 no hydrogen 2.830 N/A SER 627.A N PRO 220.A O no hydrogen 2.790 N/A SER 627.A OG PRO 220.A O no hydrogen 3.517 N/A SER 627.A OG ASN 226.A OD1 no hydrogen 2.552 N/A THR 630.A N ASP 626.A O no hydrogen 3.269 N/A THR 630.A OG1 TRP 622.A O no hydrogen 3.537 N/A THR 630.A OG1 ASP 626.A O no hydrogen 2.784 N/A GLU 631.A N SER 627.A O no hydrogen 2.732 N/A ARG 632.A N TYR 629.A O no hydrogen 3.233 N/A ARG 632.A NE GLN 283.A OE1 no hydrogen 2.788 N/A TYR 633.A N THR 630.A O no hydrogen 3.067 N/A MET 634.A N THR 630.A O no hydrogen 2.669 N/A GLY 635.A N GLU 631.A O no hydrogen 3.070 N/A LEU 636.A N ASP 641.A OD2 no hydrogen 2.785 N/A ASP 641.A N THR 638.A O no hydrogen 2.702 N/A ASN 642.A ND2 ARG 559.A O no hydrogen 2.949 N/A ASN 642.A ND2 MET 634.A O no hydrogen 2.741 N/A HIS 645.A ND1 ASN 642.A OD1 no hydrogen 2.978 N/A TYR 646.A N ASN 642.A O no hydrogen 3.177 N/A TYR 646.A OH GLY 635.A O no hydrogen 2.399 N/A ARG 647.A N LEU 643.A O no hydrogen 3.181 N/A ARG 647.A N ASP 644.A O no hydrogen 2.746 N/A ASN 648.A N ASP 644.A O no hydrogen 2.772 N/A ASN 648.A N HIS 645.A O no hydrogen 2.974 N/A SER 649.A OG HIS 645.A O no hydrogen 2.812 N/A SER 649.A OG TYR 646.A O no hydrogen 3.464 N/A VAL 651.A N SER 620.A O no hydrogen 3.127 N/A SER 653.A N THR 650.A O no hydrogen 3.134 N/A ARG 654.A N VAL 651.A O no hydrogen 2.892 N/A ALA 655.A N MET 652.A O no hydrogen 3.103 N/A ASN 657.A N ARG 654.A O no hydrogen 3.000 N/A ASN 657.A ND2 GLY 604.A O no hydrogen 2.920 N/A ASN 657.A ND2 ARG 654.A O no hydrogen 3.654 N/A PHE 658.A N ALA 655.A O no hydrogen 2.798 N/A LYS 659.A N GLU 656.A O no hydrogen 3.325 N/A LYS 659.A NZ GLU 656.A OE2 no hydrogen 3.210 N/A LYS 659.A NZ VAL 689.A O no hydrogen 3.060 N/A GLN 660.A N ASN 657.A O no hydrogen 3.295 N/A VAL 661.A N PHE 658.A O no hydrogen 3.108 N/A GLU 662.A N LYS 611.A O no hydrogen 3.090 N/A TYR 663.A OH SER 600.A OG no hydrogen 2.650 N/A LEU 664.A N GLY 613.A O no hydrogen 3.015 N/A LEU 665.A N GLN 694.A O no hydrogen 3.018 N/A ILE 666.A N ALA 615.A O no hydrogen 3.047 N/A HIS 667.A N MET 696.A O no hydrogen 3.278 N/A HIS 667.A ND1 SER 679.A OG no hydrogen 2.962 N/A HIS 667.A NE2 VAL 674.A O no hydrogen 2.699 N/A THR 669.A N TYR 698.A O no hydrogen 2.901 N/A ASN 673.A N ASP 671.A OD1 no hydrogen 2.944 N/A GLN 678.A N HIS 675.A O no hydrogen 2.838 N/A SER 679.A OG HIS 667.A ND1 no hydrogen 2.962 N/A ALA 680.A N PHE 676.A O no hydrogen 2.779 N/A GLN 681.A N GLN 677.A O no hydrogen 2.874 N/A ILE 682.A N GLN 678.A O no hydrogen 3.229 N/A SER 683.A N SER 679.A O no hydrogen 2.991 N/A SER 683.A OG ALA 680.A O no hydrogen 2.506 N/A LYS 684.A N ALA 680.A O no hydrogen 2.948 N/A LYS 684.A NZ GLN 681.A OE1 no hydrogen 2.942 N/A ALA 685.A N GLN 681.A O no hydrogen 2.935 N/A LEU 686.A N ILE 682.A O no hydrogen 3.016 N/A VAL 687.A N SER 683.A O no hydrogen 2.797 N/A ASP 688.A N LYS 684.A O no hydrogen 2.830 N/A VAL 689.A N ALA 685.A O no hydrogen 3.019 N/A GLY 690.A N LEU 686.A O no hydrogen 2.744 N/A VAL 691.A N LEU 686.A O no hydrogen 2.864 N/A GLN 694.A N TYR 663.A O no hydrogen 2.945 N/A MET 696.A N LEU 665.A O no hydrogen 3.120 N/A TYR 698.A N HIS 667.A O no hydrogen 2.991 N/A TYR 698.A OH HIS 713.A ND1 no hydrogen 2.972 N/A ASP 700.A N THR 669.A OG1 no hydrogen 2.909 N/A HIS 703.A ND1 ASP 671.A OD2 no hydrogen 3.000 N/A ILE 705.A N ASP 702.A O no hydrogen 3.118 N/A ILE 705.A N ASP 702.A OD1 no hydrogen 3.117 N/A SER 707.A OG GLU 701.A OE1 no hydrogen 2.746 N/A SER 707.A OG GLU 701.A OE2 no hydrogen 3.345 N/A ALA 710.A N SER 707.A OG no hydrogen 3.214 N/A HIS 711.A N SER 707.A O no hydrogen 2.701 N/A HIS 711.A NE2 TYR 11.A OH no hydrogen 3.240 N/A GLN 712.A N SER 708.A O no hydrogen 3.018 N/A GLN 712.A NE2 SER 708.A O no hydrogen 3.140 N/A HIS 713.A N THR 709.A O no hydrogen 2.918 N/A ILE 714.A N ALA 710.A O no hydrogen 2.645 N/A TYR 715.A N HIS 711.A O no hydrogen 3.285 N/A THR 716.A N GLN 712.A O no hydrogen 2.935 N/A THR 716.A OG1 GLN 712.A O no hydrogen 2.660 N/A HIS 717.A N HIS 713.A O no hydrogen 2.818 N/A MET 718.A N ILE 714.A O no hydrogen 2.877 N/A SER 719.A N TYR 715.A O no hydrogen 2.695 N/A SER 719.A OG TYR 715.A O no hydrogen 2.556 N/A HIS 720.A N THR 716.A O no hydrogen 3.015 N/A PHE 721.A N HIS 717.A O no hydrogen 3.021 N/A ILE 722.A N MET 718.A O no hydrogen 2.922 N/A LYS 723.A N SER 719.A O no hydrogen 2.928 N/A GLN 724.A N HIS 720.A O no hydrogen 2.808 N/A CYS 725.A N PHE 721.A O no hydrogen 2.832 N/A PHE 726.A N ILE 722.A O no hydrogen 2.809 N/A SER 727.A N GLN 724.A O no hydrogen 3.014 N/A LEU 728.A N LYS 723.A O no hydrogen 2.768 N/A