Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xfd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ASN 461.A O no hydrogen 2.473 N/A VAL 5.A N SER 525.A OG no hydrogen 2.661 N/A THR 6.A N ASP 9.A OD2 no hydrogen 2.900 N/A THR 6.A OG1 GLU 8.A OE1 no hydrogen 2.766 N/A LEU 10.A N THR 6.A O no hydrogen 3.145 N/A PHE 11.A N VAL 7.A O no hydrogen 3.312 N/A SER 12.A N ASP 9.A O no hydrogen 2.763 N/A SER 12.A OG GLU 8.A O no hydrogen 2.668 N/A SER 12.A OG ASP 9.A O no hydrogen 2.764 N/A LYS 16.A NZ GLU 13.A OE1 no hydrogen 3.452 N/A LYS 16.A NZ GLU 13.A OE2 no hydrogen 3.526 N/A HIS 18.A N ASN 453.A OD1 no hydrogen 2.626 N/A GLU 21.A N ASP 19.A OD2 no hydrogen 2.822 N/A TRP 24.A NE1 SER 416.A O no hydrogen 3.014 N/A ILE 25.A N GLU 29.A O no hydrogen 2.883 N/A SER 26.A N GLU 29.A O no hydrogen 3.331 N/A SER 26.A OG THR 28.A OG1 no hydrogen 3.019 N/A SER 26.A OG GLU 29.A OE2 no hydrogen 3.286 N/A THR 28.A N SER 26.A OG no hydrogen 3.047 N/A THR 28.A OG1 SER 26.A OG no hydrogen 3.019 N/A ILE 31.A N LYS 23.A O no hydrogen 2.673 N/A GLN 35.A N THR 38.A O no hydrogen 3.057 N/A THR 38.A OG1 ILE 53.A O no hydrogen 2.983 N/A VAL 39.A N ILE 53.A O no hydrogen 2.583 N/A ARG 40.A N TYR 32.A O no hydrogen 3.195 N/A THR 46.A N ASN 43.A O no hydrogen 2.913 N/A ASN 47.A N ASN 47.A OD1 no hydrogen 2.540 N/A THR 48.A OG1 THR 46.A O no hydrogen 2.433 N/A THR 50.A N LEU 41.A O no hydrogen 3.099 N/A THR 50.A N THR 48.A O no hydrogen 3.073 N/A LEU 52.A N VAL 39.A O no hydrogen 2.841 N/A ILE 53.A N VAL 39.A O no hydrogen 2.958 N/A LYS 56.A N GLU 54.A O no hydrogen 2.353 N/A LYS 57.A N GLU 54.A O no hydrogen 3.166 N/A LYS 57.A NZ GLU 34.A OE2 no hydrogen 2.717 N/A SER 60.A N LYS 56.A O no hydrogen 3.288 N/A LEU 61.A N GLU 59.A O no hydrogen 2.445 N/A ARG 62.A N ILE 58.A O no hydrogen 3.034 N/A ALA 63.A N LYS 57.A O no hydrogen 3.349 N/A ARG 65.A N SER 78.A O no hydrogen 3.455 N/A ARG 65.A N SER 78.A OG no hydrogen 3.229 N/A GLU 67.A N LEU 76.A O no hydrogen 2.720 N/A SER 69.A N TYR 74.A O no hydrogen 2.866 N/A SER 69.A OG ASP 71.A OD2 no hydrogen 2.685 N/A SER 69.A OG TYR 74.A O no hydrogen 3.438 N/A ASP 71.A N GLY 125.A O no hydrogen 2.923 N/A ARG 72.A N SER 69.A O no hydrogen 3.140 N/A ARG 72.A NH2 GLU 29.A OE1 no hydrogen 3.388 N/A GLU 73.A N SER 69.A OG no hydrogen 3.349 N/A GLU 73.A N ASP 71.A OD2 no hydrogen 2.787 N/A TYR 74.A N SER 69.A OG no hydrogen 3.242 N/A ALA 75.A N SER 96.A O no hydrogen 2.960 N/A LEU 76.A N GLU 67.A O no hydrogen 2.625 N/A PHE 77.A N VAL 94.A O no hydrogen 2.836 N/A SER 78.A N ARG 65.A O no hydrogen 2.864 N/A SER 78.A OG ARG 65.A O no hydrogen 3.478 N/A TYR 79.A N TYR 92.A O no hydrogen 3.031 N/A GLU 82.A N THR 90.A O no hydrogen 3.365 N/A HIS 87.A N GLU 168.A OE2 no hydrogen 3.196 N/A SER 88.A OG HIS 175.A ND1 no hydrogen 3.355 N/A THR 90.A OG1 LEU 116.A O no hydrogen 3.421 N/A TYR 92.A N TYR 79.A O no hydrogen 3.061 N/A TYR 93.A OH TYR 89.A O no hydrogen 3.373 N/A VAL 94.A N PHE 77.A O no hydrogen 2.864 N/A LEU 95.A N GLN 104.A O no hydrogen 2.760 N/A SER 96.A N ALA 75.A O no hydrogen 3.328 N/A SER 96.A OG GLY 101.A O no hydrogen 3.310 N/A ILE 98.A N GLU 73.A O no hydrogen 2.898 N/A GLN 104.A N LEU 95.A O no hydrogen 2.806 N/A GLN 104.A NE2 SER 105.A O no hydrogen 3.215 N/A LEU 106.A N TYR 93.A O no hydrogen 2.649 N/A ASN 113.A N SER 112.A OG no hydrogen 2.456 N/A ALA 114.A N ASP 107.A OD2 no hydrogen 3.208 N/A LYS 115.A NZ ASN 80.A O no hydrogen 3.380 N/A LEU 116.A N GLY 91.A O no hydrogen 2.816 N/A GLN 117.A N ILE 131.A O no hydrogen 2.817 N/A GLN 117.A NE2 ASN 134.A OD1 no hydrogen 2.636 N/A TRP 121.A N GLU 67.A OE2 no hydrogen 2.971 N/A TRP 121.A NE1 GLU 67.A O no hydrogen 2.605 N/A GLY 122.A N GLN 127.A O no hydrogen 2.725 N/A LYS 124.A N GLN 127.A OE1 no hydrogen 3.300 N/A GLN 126.A NE2 ASP 71.A OD1 no hydrogen 3.063 N/A GLN 127.A N LYS 124.A O no hydrogen 3.432 N/A GLN 127.A NE2 TYR 138.A OH no hydrogen 2.728 N/A GLN 127.A NE2 GLY 184.A O no hydrogen 3.218 N/A LEU 128.A N CYS 139.A O no hydrogen 2.843 N/A PHE 130.A N TYR 137.A O no hydrogen 3.110 N/A ILE 131.A N TYR 118.A O no hydrogen 2.882 N/A PHE 132.A N ASN 135.A O no hydrogen 3.109 N/A ASN 134.A N GLN 117.A OE1 no hydrogen 2.740 N/A ASN 134.A ND2 LYS 154.A O no hydrogen 3.618 N/A ASN 134.A ND2 ILE 158.A O no hydrogen 2.928 N/A ASN 135.A N PHE 132.A O no hydrogen 2.887 N/A ILE 136.A N VAL 150.A O no hydrogen 3.246 N/A TYR 137.A N PHE 130.A O no hydrogen 3.008 N/A TYR 138.A N ILE 147.A O no hydrogen 2.766 N/A CYS 139.A N LEU 128.A O no hydrogen 2.933 N/A CYS 139.A SG LYS 144.A O no hydrogen 3.946 N/A VAL 142.A N GLN 126.A OE1 no hydrogen 2.731 N/A ILE 147.A N TYR 138.A O no hydrogen 2.962 N/A VAL 150.A N ILE 136.A O no hydrogen 3.310 N/A THR 152.A OG1 ASN 160.A OD1 no hydrogen 2.931 N/A GLY 153.A N ASN 135.A OD1 no hydrogen 2.750 N/A LYS 154.A N ILE 158.A O no hydrogen 3.111 N/A VAL 157.A N LYS 154.A O no hydrogen 2.777 N/A ILE 158.A N LYS 154.A O no hydrogen 2.803 N/A TYR 159.A N ILE 192.A O no hydrogen 2.869 N/A ASN 160.A ND2 ASN 134.A O no hydrogen 2.288 N/A ASN 160.A ND2 ASN 160.A O no hydrogen 2.977 N/A GLY 161.A N ALA 190.A O no hydrogen 3.005 N/A SER 163.A N HIS 175.A O no hydrogen 2.730 N/A SER 163.A OG THR 174.A O no hydrogen 2.801 N/A SER 163.A OG HIS 175.A O no hydrogen 3.332 N/A TYR 167.A N ASP 164.A OD1 no hydrogen 2.949 N/A GLU 168.A N ASP 164.A O no hydrogen 3.069 N/A GLU 168.A N TRP 165.A O no hydrogen 2.917 N/A GLU 169.A N TRP 165.A O no hydrogen 2.884 N/A GLU 170.A N LEU 166.A O no hydrogen 2.873 N/A ILE 171.A N LEU 166.A O no hydrogen 3.136 N/A LEU 172.A N TYR 167.A O no hydrogen 2.594 N/A LYS 173.A N TYR 167.A O no hydrogen 3.261 N/A LYS 173.A NZ GLU 169.A O no hydrogen 2.823 N/A THR 174.A OG1 LEU 172.A O no hydrogen 3.083 N/A HIS 175.A ND1 HIS 87.A O no hydrogen 2.880 N/A ALA 177.A N GLY 161.A O no hydrogen 2.787 N/A HIS 178.A ND1 GLY 161.A O no hydrogen 3.035 N/A TRP 179.A N ALA 188.A O no hydrogen 2.597 N/A SER 181.A N ARG 186.A O no hydrogen 2.852 N/A SER 181.A OG ASP 183.A OD2 no hydrogen 2.734 N/A SER 181.A OG ARG 186.A O no hydrogen 2.948 N/A GLY 184.A N SER 181.A O no hydrogen 3.030 N/A THR 185.A N SER 181.A OG no hydrogen 3.068 N/A THR 185.A N ASP 183.A OD2 no hydrogen 3.004 N/A THR 185.A OG1 ASP 183.A O no hydrogen 3.235 N/A ARG 186.A N SER 181.A OG no hydrogen 2.935 N/A LEU 187.A N ILE 233.A O no hydrogen 2.967 N/A ALA 188.A N TRP 179.A O no hydrogen 2.828 N/A TYR 189.A N HIS 231.A O no hydrogen 2.942 N/A TYR 189.A OH ASP 241.A OD2 no hydrogen 2.631 N/A ALA 190.A N ALA 177.A O no hydrogen 2.871 N/A ALA 191.A N SER 229.A O no hydrogen 2.877 N/A ILE 192.A N TYR 159.A O no hydrogen 2.534 N/A ASN 193.A N SER 227.A O no hydrogen 2.712 N/A ASP 194.A N VAL 157.A O no hydrogen 2.822 N/A SER 195.A N ASN 193.A OD1 no hydrogen 2.619 N/A VAL 197.A N ASP 194.A O no hydrogen 2.772 N/A MET 200.A N TYR 216.A O no hydrogen 2.855 N/A LEU 202.A N LYS 214.A O no hydrogen 2.773 N/A THR 204.A OG1 THR 212.A O no hydrogen 2.912 N/A TYR 205.A N ASP 695.A OD1 no hydrogen 2.995 N/A SER 208.A OG TYR 210.A O no hydrogen 3.035 N/A LYS 214.A N LEU 202.A O no hydrogen 2.817 N/A LYS 214.A NZ THR 212.A O no hydrogen 3.420 N/A TYR 216.A N MET 200.A O no hydrogen 3.163 N/A TYR 216.A OH GLU 667.A O no hydrogen 2.580 N/A TYR 216.A OH HIS 670.A NE2 no hydrogen 2.897 N/A HIS 217.A ND1 VAL 197.A O no hydrogen 2.809 N/A TYR 218.A N PRO 198.A O no hydrogen 3.265 N/A TYR 218.A OH LYS 668.A O no hydrogen 2.896 N/A LYS 220.A NZ LEU 621.A O no hydrogen 2.804 N/A LYS 220.A NZ HIS 670.A ND1 no hydrogen 3.161 N/A LYS 220.A NZ GLN 672.A OE1 no hydrogen 2.825 N/A ALA 221.A N TYR 622.A O no hydrogen 2.919 N/A GLY 222.A N GLU 628.A OE2 no hydrogen 3.041 N/A SER 223.A N LYS 220.A O no hydrogen 3.127 N/A SER 223.A OG LYS 220.A O no hydrogen 2.417 N/A SER 227.A N ASN 193.A O no hydrogen 2.902 N/A SER 229.A N ALA 191.A O no hydrogen 3.069 N/A SER 229.A OG HIS 231.A NE2 no hydrogen 2.659 N/A HIS 231.A N TYR 189.A O no hydrogen 3.055 N/A VAL 232.A N LEU 242.A O no hydrogen 2.816 N/A ILE 233.A N LEU 187.A O no hydrogen 3.063 N/A LEU 235.A N THR 185.A O no hydrogen 2.675 N/A THR 239.A OG1 PRO 238.A O no hydrogen 2.582 N/A THR 239.A OG1 THR 239.A O no hydrogen 2.324 N/A LEU 242.A N VAL 232.A O no hydrogen 2.826 N/A MET 244.A N LEU 230.A O no hydrogen 2.806 N/A MET 245.A N GLY 290.A O no hydrogen 2.940 N/A ARG 251.A NE GLU 299.A OE1 no hydrogen 3.218 N/A ARG 251.A NH2 GLU 297.A OE2 no hydrogen 2.898 N/A TYR 256.A N LEU 273.A O no hydrogen 2.454 N/A ILE 257.A N TYR 167.A OH no hydrogen 3.247 N/A THR 258.A N THR 271.A O no hydrogen 3.137 N/A THR 258.A OG1 GLN 307.A O no hydrogen 2.698 N/A LYS 261.A N ALA 269.A O no hydrogen 2.843 N/A LYS 261.A NZ PRO 311.A O no hydrogen 3.225 N/A TRP 262.A NE1 TRP 179.A O no hydrogen 2.912 N/A ALA 263.A N LYS 267.A O no hydrogen 2.953 N/A THR 264.A N LYS 267.A O no hydrogen 3.205 N/A THR 266.A N THR 264.A OG1 no hydrogen 3.123 N/A LYS 267.A N THR 264.A OG1 no hydrogen 2.893 N/A VAL 268.A N CYS 285.A O no hydrogen 3.026 N/A ALA 269.A N LYS 261.A O no hydrogen 2.547 N/A VAL 270.A N THR 283.A O no hydrogen 2.755 N/A THR 271.A N MET 259.A O no hydrogen 2.789 N/A TRP 272.A N ILE 281.A O no hydrogen 2.926 N/A LEU 273.A N TYR 256.A O no hydrogen 2.878 N/A ASN 274.A N VAL 279.A O no hydrogen 3.308 N/A ASN 274.A ND2 ARG 251.A O no hydrogen 3.053 N/A ASN 274.A ND2 ASN 278.A OD1 no hydrogen 2.927 N/A ARG 275.A N GLU 254.A O no hydrogen 2.755 N/A ARG 275.A NE GLU 254.A OE2 no hydrogen 3.406 N/A ARG 275.A NH1 SER 223.A O no hydrogen 3.196 N/A ARG 275.A NH1 GLU 628.A OE1 no hydrogen 2.825 N/A ARG 275.A NH2 SER 223.A O no hydrogen 2.704 N/A ARG 275.A NH2 GLU 254.A OE2 no hydrogen 3.038 N/A GLN 277.A N ASN 274.A O no hydrogen 2.465 N/A GLN 277.A NE2 ALA 625.A O no hydrogen 2.797 N/A ASN 278.A N ASN 274.A OD1 no hydrogen 3.059 N/A VAL 279.A N ASN 274.A OD1 no hydrogen 3.151 N/A SER 280.A N ASP 298.A O no hydrogen 2.712 N/A SER 280.A OG GLN 307.A OE1 no hydrogen 2.762 N/A ILE 281.A N TRP 272.A O no hydrogen 2.922 N/A LEU 282.A N HIS 296.A O no hydrogen 3.060 N/A THR 283.A OG1 LEU 282.A O no hydrogen 2.974 N/A LEU 284.A N THR 293.A O no hydrogen 3.120 N/A CYS 285.A N VAL 268.A O no hydrogen 2.954 N/A CYS 285.A SG VAL 268.A O no hydrogen 3.930 N/A ASP 286.A N VAL 291.A O no hydrogen 3.155 N/A ALA 287.A N THR 266.A O no hydrogen 2.720 N/A THR 288.A N ASP 286.A OD1 no hydrogen 3.178 N/A THR 288.A OG1 ASP 286.A OD1 no hydrogen 2.439 N/A THR 289.A N ASP 286.A O no hydrogen 2.755 N/A GLY 290.A N ASP 286.A O no hydrogen 2.864 N/A CYS 292.A SG MET 245.A O no hydrogen 3.059 N/A THR 293.A N LEU 284.A O no hydrogen 2.839 N/A LYS 294.A NZ GLU 297.A OE2 no hydrogen 2.952 N/A LYS 295.A N LEU 282.A O no hydrogen 3.144 N/A ASP 298.A N SER 280.A O no hydrogen 2.984 N/A SER 300.A N ASN 278.A O no hydrogen 3.135 N/A LEU 304.A N GLN 277.A O no hydrogen 2.907 N/A ARG 306.A NH1 VAL 361.A O no hydrogen 2.664 N/A ARG 306.A NH2 GLU 309.A OE1 no hydrogen 3.299 N/A ARG 306.A NH2 VAL 361.A O no hydrogen 3.468 N/A GLN 307.A NE2 HIS 305.A O no hydrogen 2.931 N/A ASN 308.A ND2 ILE 171.A O no hydrogen 2.970 N/A ASN 308.A ND2 THR 258.A O no hydrogen 3.228 N/A VAL 312.A N PHE 321.A O no hydrogen 2.818 N/A SER 314.A N LYS 319.A O no hydrogen 3.228 N/A SER 314.A OG ASP 316.A OD1 no hydrogen 2.940 N/A SER 314.A OG LYS 319.A O no hydrogen 2.861 N/A LYS 315.A N GLU 369.A OE1 no hydrogen 2.555 N/A GLY 317.A N SER 314.A O no hydrogen 2.444 N/A PHE 320.A N SER 340.A O no hydrogen 2.710 N/A PHE 321.A N VAL 312.A O no hydrogen 2.671 N/A PHE 322.A N THR 338.A O no hydrogen 2.920 N/A ARG 324.A N HIS 336.A O no hydrogen 3.052 N/A ILE 326.A N PHE 334.A O no hydrogen 2.937 N/A PHE 334.A N ILE 326.A O no hydrogen 3.346 N/A TYR 335.A N ASP 360.A OD1 no hydrogen 2.574 N/A HIS 336.A N ARG 324.A O no hydrogen 2.973 N/A HIS 336.A ND1 THR 355.A OG1 no hydrogen 2.641 N/A HIS 336.A NE2 GLY 357.A O no hydrogen 2.981 N/A THR 338.A N PHE 322.A O no hydrogen 3.017 N/A VAL 339.A N GLN 352.A O no hydrogen 3.189 N/A SER 340.A N PHE 320.A O no hydrogen 3.149 N/A SER 341.A N ASN 350.A OD1 no hydrogen 2.875 N/A SER 341.A OG ASN 350.A OD1 no hydrogen 2.745 N/A SER 342.A OG GLY 317.A O no hydrogen 2.429 N/A SER 347.A OG ASN 345.A O no hydrogen 3.546 N/A ASN 348.A N SER 347.A OG no hydrogen 2.557 N/A ILE 354.A N ILE 337.A O no hydrogen 3.156 N/A THR 355.A OG1 HIS 336.A ND1 no hydrogen 2.641 N/A ASP 360.A N THR 379.A OG1 no hydrogen 2.793 N/A VAL 361.A N TYR 335.A O no hydrogen 2.843 N/A THR 362.A N LEU 377.A O no hydrogen 2.926 N/A LEU 365.A N TYR 375.A O no hydrogen 2.783 N/A ALA 366.A N TYR 375.A O no hydrogen 3.480 N/A ASP 368.A N LYS 373.A O no hydrogen 2.960 N/A GLY 371.A N GLU 369.A O no hydrogen 2.596 N/A ILE 374.A N ALA 391.A O no hydrogen 2.984 N/A TYR 375.A N ALA 366.A O no hydrogen 3.020 N/A TYR 375.A OH THR 441.A OG1 no hydrogen 3.134 N/A PHE 376.A N TYR 389.A O no hydrogen 3.336 N/A LEU 377.A N LYS 363.A O no hydrogen 3.014 N/A SER 378.A N GLN 387.A O no hydrogen 3.214 N/A THR 379.A N ASP 360.A O no hydrogen 2.937 N/A THR 379.A OG1 ASP 360.A O no hydrogen 3.142 N/A ARG 384.A NE GLU 513.A OE2 no hydrogen 3.240 N/A ARG 384.A NH2 GLU 513.A OE2 no hydrogen 2.734 N/A ARG 385.A N LEU 382.A O no hydrogen 2.736 N/A ARG 385.A NE GLU 513.A OE1 no hydrogen 3.060 N/A ARG 385.A NH1 ASP 381.A OD1 no hydrogen 2.892 N/A ARG 385.A NH1 ASP 381.A OD2 no hydrogen 3.528 N/A ARG 386.A N THR 411.A O no hydrogen 3.150 N/A ARG 386.A NH1 GLN 509.A OE1 no hydrogen 2.875 N/A ARG 386.A NH2 GLN 509.A OE1 no hydrogen 3.531 N/A GLN 387.A N SER 378.A O no hydrogen 3.490 N/A GLN 387.A NE2 ASP 381.A OD2 no hydrogen 3.326 N/A LEU 388.A N SER 403.A OG no hydrogen 2.780 N/A TYR 389.A N PHE 376.A O no hydrogen 2.707 N/A SER 390.A OG GLN 400.A O no hydrogen 3.231 N/A ALA 391.A N ILE 374.A O no hydrogen 3.066 N/A ASN 392.A ND2 ASN 372.A O no hydrogen 3.133 N/A ASN 398.A N ASN 392.A OD1 no hydrogen 3.163 N/A ARG 399.A NE GLU 380.A OE1 no hydrogen 3.101 N/A ARG 399.A NE GLU 380.A OE2 no hydrogen 2.937 N/A ARG 399.A NH2 GLU 380.A OE1 no hydrogen 2.855 N/A GLN 400.A N SER 390.A O no hydrogen 3.009 N/A CYS 401.A SG LEU 388.A O no hydrogen 3.741 N/A SER 403.A N LEU 388.A O no hydrogen 3.369 N/A SER 403.A OG GLN 387.A OE1 no hydrogen 2.488 N/A LEU 406.A N SER 403.A O no hydrogen 2.740 N/A ASN 409.A N GLU 408.A OE1 no hydrogen 2.744 N/A CYS 410.A SG VAL 407.A O no hydrogen 4.027 N/A CYS 410.A SG TYR 412.A O no hydrogen 4.034 N/A THR 411.A OG1 GLU 513.A OE1 no hydrogen 2.652 N/A TYR 412.A N GLY 430.A O no hydrogen 3.122 N/A SER 414.A N LYS 427.A O no hydrogen 2.989 N/A SER 416.A N LEU 425.A O no hydrogen 2.962 N/A SER 418.A N PHE 423.A O no hydrogen 2.841 N/A SER 418.A OG PHE 423.A O no hydrogen 3.269 N/A HIS 419.A N SER 26.A O no hydrogen 2.830 N/A SER 420.A OG ASP 27.A OD1 no hydrogen 3.081 N/A SER 420.A OG HIS 419.A O no hydrogen 2.712 N/A MET 421.A N SER 418.A O no hydrogen 3.053 N/A PHE 423.A N SER 418.A OG no hydrogen 3.006 N/A PHE 424.A N HIS 439.A O no hydrogen 2.964 N/A LEU 425.A N SER 416.A O no hydrogen 2.672 N/A LEU 426.A N THR 437.A O no hydrogen 2.906 N/A LYS 427.A N SER 414.A O no hydrogen 2.782 N/A CYS 428.A N MET 435.A O no hydrogen 2.898 N/A GLY 432.A N ASN 409.A O no hydrogen 2.790 N/A VAL 436.A N GLU 451.A O no hydrogen 2.922 N/A THR 437.A N LEU 426.A O no hydrogen 2.786 N/A VAL 438.A N PHE 448.A O no hydrogen 3.159 N/A HIS 439.A N PHE 424.A O no hydrogen 3.258 N/A HIS 439.A ND1 LYS 444.A O no hydrogen 2.852 N/A THR 441.A OG1 TYR 375.A OH no hydrogen 3.134 N/A LYS 444.A N ASN 440.A O no hydrogen 2.992 N/A LYS 446.A NZ ASP 449.A OD1 no hydrogen 3.478 N/A MET 447.A N VAL 438.A O no hydrogen 2.606 N/A LEU 450.A N VAL 436.A O no hydrogen 2.951 N/A GLU 451.A N VAL 436.A O no hydrogen 3.301 N/A ASN 453.A N GLU 451.A OE2 no hydrogen 2.763 N/A ASN 453.A ND2 HIS 18.A O no hydrogen 3.675 N/A ASN 453.A ND2 PRO 434.A O no hydrogen 3.630 N/A LYS 457.A N ASN 453.A O no hydrogen 3.192 N/A LYS 458.A N GLU 454.A O no hydrogen 2.761 N/A LYS 458.A NZ ASP 462.A OD1 no hydrogen 3.198 N/A ALA 459.A N HIS 455.A O no hydrogen 2.975 N/A ILE 460.A N VAL 456.A O no hydrogen 2.853 N/A ASN 461.A N LYS 457.A O no hydrogen 3.277 N/A ASP 462.A N ALA 459.A O no hydrogen 3.204 N/A ARG 463.A N ILE 460.A O no hydrogen 2.983 N/A ARG 463.A NH1 ASP 9.A OD2 no hydrogen 2.975 N/A GLN 464.A N LYS 3.A O no hydrogen 3.124 N/A MET 465.A N ARG 463.A O no hydrogen 2.807 N/A LYS 467.A N LYS 486.A O no hydrogen 2.566 N/A ARG 471.A N MET 482.A O no hydrogen 3.189 N/A ILE 473.A N LEU 480.A O no hydrogen 2.834 N/A ILE 475.A N TYR 478.A O no hydrogen 2.974 N/A TYR 478.A N ILE 475.A O no hydrogen 3.354 N/A TYR 478.A OH GLU 549.A OE2 no hydrogen 2.682 N/A ASN 479.A ND2 ASP 472.A OD2 no hydrogen 3.564 N/A ILE 484.A N GLU 469.A O no hydrogen 2.645 N/A LEU 485.A N VAL 531.A O no hydrogen 2.880 N/A LYS 486.A N LYS 467.A O no hydrogen 2.776 N/A LYS 486.A NZ GLU 469.A OE1 no hydrogen 2.560 N/A LYS 486.A NZ TYR 574.A OH no hydrogen 3.567 N/A THR 491.A N TYR 496.A OH no hydrogen 3.157 N/A HIS 495.A ND1 THR 493.A O no hydrogen 3.229 N/A TYR 496.A N TYR 574.A O no hydrogen 3.087 N/A LEU 498.A N ARG 579.A O no hydrogen 2.731 N/A LEU 499.A N VAL 530.A O no hydrogen 2.959 N/A LEU 500.A N ALA 581.A O no hydrogen 2.721 N/A VAL 501.A N VAL 532.A O no hydrogen 3.083 N/A VAL 502.A N PHE 583.A O no hydrogen 2.862 N/A THR 505.A N ASP 503.A OD2 no hydrogen 3.222 N/A THR 505.A OG1 ASP 503.A OD1 no hydrogen 3.092 N/A GLY 507.A N GLY 538.A O no hydrogen 2.619 N/A SER 508.A N THR 505.A O no hydrogen 2.950 N/A SER 508.A OG ASP 503.A OD2 no hydrogen 2.787 N/A SER 508.A OG THR 505.A O no hydrogen 2.509 N/A GLN 509.A NE2 PRO 383.A O no hydrogen 2.761 N/A SER 510.A N ASP 535.A OD1 no hydrogen 2.812 N/A SER 510.A N ASP 535.A OD2 no hydrogen 2.939 N/A VAL 511.A N ASP 535.A OD1 no hydrogen 3.010 N/A GLU 513.A N ARG 384.A O no hydrogen 2.947 N/A LYS 514.A NZ GLU 429.A OE1 no hydrogen 3.326 N/A PHE 515.A N GLU 429.A O no hydrogen 2.462 N/A GLU 520.A N SER 518.A OG no hydrogen 3.337 N/A THR 521.A N SER 518.A O no hydrogen 2.861 N/A VAL 522.A N SER 518.A O no hydrogen 3.448 N/A MET 523.A N TRP 519.A O no hydrogen 2.978 N/A VAL 524.A N GLU 520.A O no hydrogen 2.975 N/A SER 525.A N THR 521.A O no hydrogen 2.769 N/A SER 525.A OG GLN 464.A O no hydrogen 3.568 N/A SER 526.A OG VAL 5.A O no hydrogen 2.586 N/A HIS 527.A N VAL 522.A O no hydrogen 3.345 N/A VAL 530.A N PRO 497.A O no hydrogen 3.284 N/A VAL 531.A N LEU 485.A O no hydrogen 3.233 N/A VAL 532.A N LEU 499.A O no hydrogen 3.013 N/A LYS 533.A N GLN 483.A O no hydrogen 3.044 N/A LYS 533.A NZ GLU 520.A OE2 no hydrogen 3.393 N/A CYS 534.A SG PRO 481.A O no hydrogen 3.650 N/A ASP 535.A N PRO 481.A O no hydrogen 3.052 N/A ARG 537.A N ASP 561.A OD2 no hydrogen 2.948 N/A GLY 538.A N LEU 546.A O no hydrogen 3.101 N/A SER 539.A N GLY 536.A O no hydrogen 3.113 N/A SER 539.A OG GLY 536.A O no hydrogen 2.399 N/A GLY 540.A N SER 508.A O no hydrogen 2.827 N/A GLN 542.A NE2 ASN 479.A O no hydrogen 3.594 N/A GLN 542.A NE2 ASN 479.A OD1 no hydrogen 3.457 N/A GLY 543.A N ASP 360.A OD2 no hydrogen 3.357 N/A THR 544.A N LYS 333.A O no hydrogen 2.967 N/A LEU 547.A N GLY 543.A O no hydrogen 3.283 N/A HIS 548.A N THR 544.A O no hydrogen 2.870 N/A GLU 549.A N LEU 546.A O no hydrogen 3.184 N/A ARG 551.A N HIS 548.A O no hydrogen 2.982 N/A ARG 552.A N TYR 630.A O no hydrogen 2.647 N/A ARG 552.A NE ASN 638.A OD1 no hydrogen 3.181 N/A ARG 552.A NH2 ASN 638.A O no hydrogen 3.109 N/A ARG 552.A NH2 ASN 638.A OD1 no hydrogen 2.682 N/A ARG 553.A N VAL 550.A O no hydrogen 2.734 N/A ARG 553.A NE GLU 549.A O no hydrogen 3.071 N/A ARG 553.A NH2 GLU 549.A O no hydrogen 2.484 N/A LEU 556.A N ARG 553.A O no hydrogen 2.789 N/A GLU 558.A N GLU 558.A OE1 no hydrogen 2.993 N/A GLU 559.A N LEU 556.A O no hydrogen 3.071 N/A ASP 561.A N LEU 557.A O no hydrogen 2.912 N/A GLN 562.A N GLU 558.A O no hydrogen 3.037 N/A GLN 562.A NE2 CYS 534.A O no hydrogen 3.392 N/A MET 563.A N GLU 559.A O no hydrogen 2.820 N/A GLU 564.A N LYS 560.A O no hydrogen 2.719 N/A ALA 565.A N ASP 561.A O no hydrogen 3.191 N/A VAL 566.A N GLN 562.A O no hydrogen 3.006 N/A ARG 567.A N MET 563.A O no hydrogen 2.873 N/A ARG 567.A NH1 GLU 564.A OE1 no hydrogen 3.410 N/A THR 568.A N GLU 564.A O no hydrogen 3.106 N/A THR 568.A OG1 GLU 564.A O no hydrogen 3.411 N/A THR 568.A OG1 ALA 565.A O no hydrogen 3.187 N/A MET 569.A N VAL 566.A O no hydrogen 3.022 N/A LEU 570.A N VAL 566.A O no hydrogen 2.774 N/A LYS 571.A N ARG 567.A O no hydrogen 2.992 N/A GLN 573.A NE2 HIS 495.A NE2 no hydrogen 2.634 N/A GLN 573.A NE2 GLN 573.A O no hydrogen 3.439 N/A ASP 576.A N TYR 496.A O no hydrogen 3.133 N/A ARG 577.A NH2 GLY 604.A O no hydrogen 2.704 N/A THR 578.A OG1 ASP 576.A OD2 no hydrogen 2.577 N/A ARG 579.A N ASP 576.A O no hydrogen 2.948 N/A ARG 579.A NE ASP 576.A OD1 no hydrogen 3.548 N/A ARG 579.A NE ASP 576.A OD2 no hydrogen 3.265 N/A ARG 579.A NH1 PHE 721.A O no hydrogen 3.241 N/A ALA 581.A N LEU 498.A O no hydrogen 2.700 N/A VAL 582.A N CYS 609.A O no hydrogen 3.205 N/A PHE 583.A N LEU 500.A O no hydrogen 2.894 N/A GLY 584.A N SER 611.A O no hydrogen 3.186 N/A ASP 586.A N LEU 613.A O no hydrogen 2.874 N/A TYR 587.A OH GLU 558.A OE2 no hydrogen 3.034 N/A GLY 588.A N LYS 585.A O no hydrogen 2.692 N/A GLY 589.A N ASP 586.A O no hydrogen 2.822 N/A TYR 590.A N ASP 586.A O no hydrogen 3.208 N/A TYR 590.A OH LEU 554.A O no hydrogen 3.295 N/A TYR 590.A OH THR 644.A O no hydrogen 2.594 N/A LEU 591.A N TYR 587.A O no hydrogen 3.147 N/A SER 592.A N GLY 588.A O no hydrogen 2.768 N/A SER 592.A OG SER 611.A O no hydrogen 2.621 N/A THR 593.A N GLY 589.A O no hydrogen 2.921 N/A TYR 594.A N TYR 590.A O no hydrogen 2.925 N/A ILE 595.A N LEU 591.A O no hydrogen 2.794 N/A LYS 599.A N THR 606.A OG1 no hydrogen 3.056 N/A THR 606.A N PRO 597.A O no hydrogen 3.267 N/A THR 608.A N VAL 580.A O no hydrogen 2.751 N/A THR 608.A OG1 THR 578.A O no hydrogen 2.740 N/A THR 608.A OG1 VAL 580.A O no hydrogen 3.452 N/A CYS 609.A SG CYS 720.A O no hydrogen 4.027 N/A GLY 610.A N GLN 657.A O no hydrogen 2.930 N/A SER 611.A N VAL 582.A O no hydrogen 2.928 N/A SER 611.A OG LEU 659.A O no hydrogen 2.745 N/A ALA 612.A N LEU 659.A O no hydrogen 3.125 N/A LEU 613.A N GLY 584.A O no hydrogen 2.997 N/A SER 614.A N ILE 661.A O no hydrogen 2.748 N/A SER 614.A OG ASP 666.A OD2 no hydrogen 3.049 N/A THR 617.A N HIS 673.A ND1 no hydrogen 2.919 N/A THR 617.A OG1 HIS 673.A O no hydrogen 3.180 N/A LYS 620.A N ASP 618.A OD1 no hydrogen 3.138 N/A LEU 621.A N ASP 618.A O no hydrogen 2.690 N/A SER 624.A N PRO 219.A O no hydrogen 2.714 N/A SER 624.A OG PRO 219.A O no hydrogen 3.419 N/A SER 624.A OG ASN 225.A OD1 no hydrogen 2.701 N/A PHE 626.A N ALA 623.A O no hydrogen 2.999 N/A SER 627.A N ALA 623.A O no hydrogen 3.179 N/A SER 627.A OG PHE 619.A O no hydrogen 2.784 N/A GLU 628.A N SER 624.A O no hydrogen 2.945 N/A ARG 629.A N PHE 626.A O no hydrogen 3.199 N/A ARG 629.A NH1 GLN 277.A OE1 no hydrogen 2.991 N/A TYR 630.A N SER 627.A O no hydrogen 3.035 N/A LEU 631.A N SER 627.A O no hydrogen 2.841 N/A GLY 632.A N GLU 628.A O no hydrogen 2.831 N/A ASN 638.A ND2 LEU 633.A O no hydrogen 3.303 N/A TYR 641.A OH GLY 632.A O no hydrogen 2.604 N/A THR 644.A N ALA 640.A O no hydrogen 3.268 N/A THR 644.A OG1 ALA 640.A O no hydrogen 2.688 N/A LYS 645.A N GLU 642.A O no hydrogen 3.357 N/A LYS 645.A NZ GLU 642.A OE2 no hydrogen 3.064 N/A HIS 648.A NE2 GLU 642.A O no hydrogen 2.547 N/A ARG 649.A N VAL 646.A O no hydrogen 2.997 N/A ARG 649.A NE TYR 594.A O no hydrogen 3.010 N/A ARG 649.A NH2 TYR 594.A O no hydrogen 3.035 N/A SER 651.A OG HIS 648.A O no hydrogen 3.077 N/A ALA 652.A N ARG 649.A O no hydrogen 3.062 N/A GLU 654.A N GLN 656.A OE1 no hydrogen 3.022 N/A GLU 655.A N GLN 656.A OE1 no hydrogen 3.271 N/A GLN 656.A N GLN 656.A OE1 no hydrogen 2.878 N/A GLN 657.A N THR 608.A O no hydrogen 3.023 N/A LEU 659.A N GLY 610.A O no hydrogen 3.103 N/A ILE 660.A N SER 689.A O no hydrogen 2.795 N/A ILE 661.A N ALA 612.A O no hydrogen 2.927 N/A HIS 662.A N GLN 691.A O no hydrogen 3.054 N/A HIS 662.A ND1 THR 674.A OG1 no hydrogen 2.457 N/A HIS 662.A NE2 ILE 669.A O no hydrogen 2.909 N/A THR 664.A N TYR 693.A O no hydrogen 3.137 N/A ALA 665.A N GLU 696.A O no hydrogen 2.842 N/A ASP 666.A N PRO 663.A O no hydrogen 3.290 N/A GLU 667.A N GLU 667.A OE1 no hydrogen 2.395 N/A LYS 668.A N ASP 666.A OD1 no hydrogen 2.796 N/A ILE 669.A N ASP 666.A OD1 no hydrogen 2.601 N/A HIS 670.A NE2 TYR 216.A OH no hydrogen 2.897 N/A HIS 673.A N HIS 670.A O no hydrogen 2.890 N/A THR 674.A OG1 HIS 662.A ND1 no hydrogen 2.457 N/A ALA 675.A N PHE 671.A O no hydrogen 2.900 N/A GLU 676.A N GLN 672.A O no hydrogen 2.863 N/A LEU 677.A N HIS 673.A O no hydrogen 2.826 N/A ILE 678.A N THR 674.A O no hydrogen 2.943 N/A THR 679.A N ALA 675.A O no hydrogen 3.076 N/A THR 679.A OG1 ALA 675.A O no hydrogen 3.558 N/A GLN 680.A N GLU 676.A O no hydrogen 3.242 N/A LEU 681.A N LEU 677.A O no hydrogen 2.906 N/A ILE 682.A N ILE 678.A O no hydrogen 2.842 N/A ARG 683.A N THR 679.A O no hydrogen 3.011 N/A GLY 684.A N GLN 680.A O no hydrogen 2.765 N/A LYS 685.A N ILE 682.A O no hydrogen 3.159 N/A ALA 686.A N LEU 681.A O no hydrogen 2.781 N/A GLN 691.A N ILE 660.A O no hydrogen 2.853 N/A TYR 693.A N HIS 662.A O no hydrogen 3.370 N/A TYR 693.A OH HIS 708.A ND1 no hydrogen 2.711 N/A GLU 696.A N TYR 693.A O no hydrogen 2.890 N/A SER 697.A OG GLU 667.A OE1 no hydrogen 3.351 N/A SER 697.A OG GLU 667.A OE2 no hydrogen 3.322 N/A HIS 698.A N GLU 667.A OE1 no hydrogen 2.868 N/A HIS 698.A ND1 ASP 666.A OD2 no hydrogen 2.670 N/A TYR 699.A N SER 697.A OG no hydrogen 3.265 N/A TYR 699.A OH GLU 169.A OE2 no hydrogen 2.725 N/A LEU 705.A N SER 702.A OG no hydrogen 3.128 N/A LYS 706.A N SER 702.A O no hydrogen 2.611 N/A GLN 707.A N SER 703.A O no hydrogen 2.905 N/A HIS 708.A N SER 704.A O no hydrogen 3.241 N/A HIS 708.A ND1 TYR 693.A OH no hydrogen 2.711 N/A LEU 709.A N LEU 705.A O no hydrogen 2.770 N/A TYR 710.A N LYS 706.A O no hydrogen 2.919 N/A ARG 711.A N GLN 707.A O no hydrogen 2.893 N/A ARG 711.A NH2 GLU 8.A OE2 no hydrogen 2.591 N/A SER 712.A N HIS 708.A O no hydrogen 2.893 N/A SER 712.A OG GLN 691.A OE1 no hydrogen 3.409 N/A SER 712.A OG HIS 708.A O no hydrogen 3.065 N/A ILE 713.A N LEU 709.A O no hydrogen 2.901 N/A ILE 714.A N TYR 710.A O no hydrogen 2.754 N/A ASN 715.A N ARG 711.A O no hydrogen 2.799 N/A PHE 716.A N SER 712.A O no hydrogen 3.155 N/A PHE 716.A N ILE 713.A O no hydrogen 2.970 N/A PHE 717.A N ILE 713.A O no hydrogen 3.461 N/A VAL 718.A N ILE 714.A O no hydrogen 2.997 N/A GLU 719.A N PHE 716.A O no hydrogen 3.116 N/A CYS 720.A N PHE 716.A O no hydrogen 3.269 N/A CYS 720.A SG PHE 716.A O no hydrogen 3.369 N/A CYS 720.A SG PHE 717.A O no hydrogen 3.783 N/A PHE 721.A N GLU 719.A O no hydrogen 2.406 N/A ARG 722.A N VAL 718.A O no hydrogen 3.316 N/A ARG 722.A NH1 HIS 527.A O no hydrogen 3.368 N/A