Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5xwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N GLU 32.A OE1 no hydrogen 3.045 N/A CYS 4.A N VAL 33.A O no hydrogen 2.978 N/A THR 7.A N ASN 37.A O no hydrogen 3.165 N/A THR 7.A OG1 GLU 39.A OE1 no hydrogen 2.923 N/A SER 8.A OG SER 8.A O no hydrogen 2.579 N/A LYS 10.A N GLU 39.A OE1 no hydrogen 3.279 N/A LYS 10.A N GLU 39.A OE2 no hydrogen 2.936 N/A THR 12.A N ASN 9.A O no hydrogen 2.973 N/A THR 12.A OG1 ASN 9.A O no hydrogen 3.337 N/A LEU 14.A N HIS 20.A ND1 no hydrogen 3.027 N/A THR 16.A N ASP 19.A OD2 no hydrogen 3.454 N/A THR 16.A OG1 ASP 19.A OD2 no hydrogen 2.914 N/A ASP 19.A N THR 16.A OG1 no hydrogen 3.240 N/A HIS 20.A N THR 16.A O no hydrogen 2.820 N/A HIS 20.A NE2 THR 41.A OG1 no hydrogen 2.963 N/A PHE 21.A N PHE 17.A O no hydrogen 3.024 N/A LEU 22.A N GLU 18.A O no hydrogen 2.876 N/A SER 23.A N ASP 19.A O no hydrogen 3.131 N/A SER 23.A OG ASP 19.A O no hydrogen 3.365 N/A LEU 24.A N HIS 20.A O no hydrogen 3.173 N/A GLN 25.A N PHE 21.A O no hydrogen 2.792 N/A ARG 26.A N LEU 22.A O no hydrogen 2.839 N/A MET 27.A N SER 23.A O no hydrogen 3.265 N/A PHE 28.A N LEU 24.A O no hydrogen 3.326 N/A CYS 31.A N PHE 28.A O no hydrogen 3.331 N/A CYS 31.A SG VAL 33.A O no hydrogen 3.325 N/A GLU 32.A N LYS 2.A O no hydrogen 2.923 N/A VAL 33.A N LYS 2.A O no hydrogen 3.204 N/A VAL 34.A N GLU 57.A O no hydrogen 2.861 N/A LEU 35.A N CYS 4.A O no hydrogen 2.895 N/A GLY 36.A N GLN 5.A O no hydrogen 2.408 N/A ASN 37.A ND2 THR 7.A O no hydrogen 3.550 N/A LEU 38.A N TYR 61.A O no hydrogen 2.906 N/A ILE 40.A N LEU 63.A O no hydrogen 2.649 N/A THR 41.A OG1 HIS 20.A NE2 no hydrogen 2.963 N/A TYR 42.A OH LEU 11.A O no hydrogen 2.665 N/A VAL 43.A N ASN 67.A OD1 no hydrogen 2.857 N/A SER 50.A N ASP 48.A OD1 no hydrogen 3.093 N/A SER 50.A OG ASP 48.A OD1 no hydrogen 2.400 N/A LEU 52.A N LEU 49.A O no hydrogen 3.088 N/A LYS 53.A N SER 50.A O no hydrogen 3.386 N/A THR 54.A OG1 CYS 31.A O no hydrogen 3.403 N/A THR 54.A OG1 PHE 51.A O no hydrogen 3.095 N/A GLN 56.A N GLU 32.A O no hydrogen 2.911 N/A GLU 57.A N GLU 32.A O no hydrogen 3.085 N/A VAL 58.A N ILE 79.A O no hydrogen 3.237 N/A ALA 59.A N VAL 34.A O no hydrogen 3.050 N/A GLY 60.A N GLY 36.A O no hydrogen 2.791 N/A TYR 61.A N ASN 37.A OD1 no hydrogen 3.240 N/A TYR 61.A OH GLU 39.A OE2 no hydrogen 3.001 N/A VAL 62.A N ALA 91.A O no hydrogen 2.965 N/A LEU 63.A N LEU 38.A O no hydrogen 2.583 N/A ILE 64.A N ALA 93.A O no hydrogen 2.884 N/A ALA 65.A N ILE 40.A O no hydrogen 3.261 N/A LEU 66.A N LEU 95.A O no hydrogen 3.335 N/A LEU 66.A N SER 96.A O no hydrogen 3.073 N/A ASN 67.A N ASN 97.A OD1 no hydrogen 3.221 N/A ASN 67.A ND2 ILE 40.A O no hydrogen 2.514 N/A ASN 67.A ND2 ASN 97.A OD1 no hydrogen 3.018 N/A THR 68.A N VAL 43.A O no hydrogen 3.064 N/A THR 68.A OG1 GLN 44.A OE1 no hydrogen 2.493 N/A VAL 69.A N VAL 43.A O no hydrogen 3.146 N/A ILE 72.A N GLU 107.A O no hydrogen 3.205 N/A LEU 74.A N ILE 72.A O no hydrogen 2.746 N/A GLN 78.A N GLN 56.A O no hydrogen 2.886 N/A ILE 80.A N GLU 115.A O no hydrogen 3.328 N/A ARG 81.A N VAL 58.A O no hydrogen 2.890 N/A ARG 81.A NH1 CYS 224.A O no hydrogen 2.976 N/A GLY 82.A N GLY 60.A O no hydrogen 3.257 N/A ASN 83.A N ALA 59.A O no hydrogen 2.682 N/A TYR 86.A N TYR 90.A O no hydrogen 2.816 N/A ALA 91.A N ALA 120.A O no hydrogen 2.681 N/A ALA 93.A N VAL 62.A O no hydrogen 2.953 N/A VAL 94.A N ARG 122.A O no hydrogen 2.951 N/A LEU 95.A N ILE 64.A O no hydrogen 3.131 N/A SER 96.A N SER 124.A O no hydrogen 2.977 N/A ASN 97.A ND2 ILE 64.A O no hydrogen 2.859 N/A ASN 97.A ND2 ASN 126.A OD1 no hydrogen 2.922 N/A LYS 102.A N ASP 99.A O no hydrogen 3.054 N/A THR 103.A N ASP 99.A OD1 no hydrogen 2.924 N/A THR 103.A OG1 ASN 101.A O no hydrogen 3.415 N/A THR 103.A OG1 ASN 101.A OD1 no hydrogen 2.838 N/A LEU 105.A N ASN 97.A O no hydrogen 3.089 N/A LYS 106.A N GLU 70.A O no hydrogen 2.990 N/A GLU 107.A N GLU 70.A O no hydrogen 2.617 N/A MET 110.A N LEU 108.A O no hydrogen 3.053 N/A ARG 111.A NH2 GLU 75.A OE1 no hydrogen 2.694 N/A LEU 113.A N MET 110.A O no hydrogen 3.410 N/A GLN 114.A N GLN 78.A O no hydrogen 3.157 N/A ILE 116.A N ILE 140.A O no hydrogen 2.721 N/A LEU 117.A N ILE 80.A O no hydrogen 3.036 N/A HIS 118.A N ARG 81.A O no hydrogen 3.098 N/A ALA 120.A N SER 89.A O no hydrogen 2.620 N/A ARG 122.A N LEU 92.A O no hydrogen 2.891 N/A PHE 123.A N SER 150.A O no hydrogen 3.007 N/A SER 124.A N VAL 94.A O no hydrogen 3.183 N/A SER 124.A OG ASN 125.A OD1 no hydrogen 2.611 N/A ASN 126.A ND2 VAL 94.A O no hydrogen 2.682 N/A CYS 130.A N LYS 106.A O no hydrogen 3.192 N/A CYS 130.A SG ALA 128.A O no hydrogen 3.507 N/A ASN 131.A ND2 GLN 161.A O no hydrogen 3.221 N/A VAL 132.A N CYS 130.A O no hydrogen 2.650 N/A SER 134.A N ASN 131.A O no hydrogen 3.039 N/A SER 134.A OG ASN 131.A O no hydrogen 2.571 N/A ILE 135.A N VAL 132.A O no hydrogen 3.374 N/A GLN 136.A N GLN 181.A OE1 no hydrogen 2.711 N/A ASP 139.A N GLN 136.A O no hydrogen 3.374 N/A ILE 140.A N TRP 137.A O no hydrogen 3.166 N/A VAL 141.A N TRP 137.A O no hydrogen 2.989 N/A SER 142.A OG ASP 144.A OD1 no hydrogen 2.625 N/A ASN 148.A N PHE 145.A O no hydrogen 3.400 N/A SER 150.A N VAL 121.A O no hydrogen 3.447 N/A ASP 152.A N PHE 123.A O no hydrogen 2.800 N/A ASN 155.A ND2 LEU 129.A O no hydrogen 2.756 N/A CYS 163.A SG SER 134.A OG no hydrogen 3.682 N/A CYS 163.A SG GLY 170.A O no hydrogen 3.311 N/A SER 166.A N ASP 164.A OD1 no hydrogen 3.018 N/A SER 166.A OG ASP 164.A OD1 no hydrogen 2.554 N/A SER 166.A OG GLU 177.A OE2 no hydrogen 3.091 N/A CYS 167.A N ASP 164.A O no hydrogen 3.037 N/A CYS 167.A SG ASP 164.A O no hydrogen 3.319 N/A GLY 170.A N CYS 167.A O no hydrogen 3.243 N/A SER 171.A N PRO 168.A O no hydrogen 3.049 N/A SER 171.A OG SER 134.A O no hydrogen 2.746 N/A SER 171.A OG PRO 168.A O no hydrogen 3.278 N/A CYS 172.A N SER 134.A OG no hydrogen 3.014 N/A CYS 172.A SG GLY 174.A O no hydrogen 3.076 N/A TRP 173.A N ASN 179.A O no hydrogen 2.687 N/A ASN 179.A N GLY 176.A O no hydrogen 3.214 N/A CYS 180.A SG GLU 177.A O no hydrogen 3.772 N/A CYS 180.A SG GLU 177.A OE1 no hydrogen 3.593 N/A GLN 181.A N SER 171.A O no hydrogen 2.970 N/A GLN 181.A NE2 GLN 136.A O no hydrogen 2.650 N/A THR 184.A N ASP 139.A OD1 no hydrogen 3.213 N/A THR 184.A N ASP 139.A OD2 no hydrogen 3.014 N/A THR 184.A OG1 THR 184.A O no hydrogen 2.457 N/A THR 184.A OG1 CYS 196.A O no hydrogen 2.773 N/A LYS 185.A N ASP 139.A OD1 no hydrogen 2.722 N/A LYS 185.A NZ VAL 141.A O no hydrogen 3.179 N/A ILE 186.A N ASP 139.A OD1 no hydrogen 2.848 N/A CYS 188.A N LYS 185.A O no hydrogen 3.133 N/A CYS 188.A SG THR 184.A O no hydrogen 3.385 N/A CYS 188.A SG LYS 185.A O no hydrogen 3.360 N/A CYS 192.A N ALA 189.A O no hydrogen 3.334 N/A CYS 192.A SG SER 200.A O no hydrogen 3.902 N/A ARG 195.A NH1 ASP 139.A O no hydrogen 2.365 N/A ARG 195.A NH1 ASP 139.A OD2 no hydrogen 3.491 N/A CYS 196.A SG GLY 198.A O no hydrogen 3.246 N/A ARG 197.A N ASP 203.A O no hydrogen 2.813 N/A GLY 198.A N ASP 203.A OD1 no hydrogen 3.216 N/A SER 200.A OG ASP 203.A OD2 no hydrogen 2.559 N/A ASP 203.A N SER 200.A O no hydrogen 3.370 N/A CYS 204.A SG PRO 201.A O no hydrogen 3.199 N/A CYS 205.A N ARG 195.A O no hydrogen 2.936 N/A GLN 208.A N HIS 206.A ND1 no hydrogen 3.375 N/A CYS 209.A N HIS 206.A O no hydrogen 2.893 N/A CYS 213.A SG GLY 215.A O no hydrogen 3.256 N/A THR 214.A N ASP 220.A O no hydrogen 2.922 N/A THR 214.A OG1 ASP 220.A O no hydrogen 3.428 N/A ARG 217.A N ASP 220.A OD2 no hydrogen 2.908 N/A SER 219.A OG SER 219.A O no hydrogen 2.528 N/A SER 219.A OG ALA 231.A O no hydrogen 3.299 N/A CYS 221.A SG GLU 218.A O no hydrogen 3.309 N/A LEU 222.A N GLY 212.A O no hydrogen 3.106 N/A ARG 225.A N GLN 208.A O no hydrogen 2.951 N/A ARG 225.A NE ASN 207.A O no hydrogen 3.213 N/A PHE 227.A N LYS 234.A O no hydrogen 3.284 N/A ARG 228.A N ALA 262.A O no hydrogen 2.678 N/A ARG 228.A NE GLU 230.A O no hydrogen 3.232 N/A ASP 229.A N THR 232.A O no hydrogen 2.831 N/A THR 232.A N ASP 229.A O no hydrogen 2.832 N/A LYS 234.A N PHE 227.A O no hydrogen 3.049 N/A LYS 234.A NZ ASP 229.A OD2 no hydrogen 2.616 N/A THR 236.A OG1 ASP 235.A OD2 no hydrogen 2.956 N/A CYS 237.A SG TYR 258.A O no hydrogen 3.506 N/A CYS 237.A SG THR 263.A O no hydrogen 3.988 N/A LEU 242.A N ASP 251.A O no hydrogen 3.087 N/A TYR 243.A OH ASP 560.A OD2 no hydrogen 2.587 N/A ASN 244.A ND2 ASP 251.A OD2 no hydrogen 2.605 N/A THR 246.A OG1 ASN 244.A OD1 no hydrogen 2.521 N/A THR 247.A N ASN 244.A OD1 no hydrogen 2.801 N/A THR 247.A OG1 ASN 244.A OD1 no hydrogen 2.549 N/A THR 247.A OG1 GLN 249.A O no hydrogen 3.511 N/A THR 247.A OG1 ASP 251.A OD2 no hydrogen 2.584 N/A TYR 248.A N ASN 244.A O no hydrogen 3.302 N/A ASP 251.A N LEU 242.A O no hydrogen 3.078 N/A ASN 253.A N LEU 240.A O no hydrogen 2.583 N/A ASN 253.A ND2 PRO 239.A O no hydrogen 2.877 N/A GLU 255.A N ASN 253.A OD1 no hydrogen 3.159 N/A GLY 256.A N ASN 253.A O no hydrogen 2.916 N/A LYS 257.A NZ ASP 229.A OD1 no hydrogen 2.521 N/A LYS 257.A NZ ASP 229.A OD2 no hydrogen 3.550 N/A TYR 258.A N VAL 265.A O no hydrogen 2.799 N/A PHE 260.A N THR 263.A O no hydrogen 2.902 N/A THR 263.A N PHE 260.A O no hydrogen 2.989 N/A THR 263.A OG1 PHE 260.A O no hydrogen 2.730 N/A CYS 264.A N ARG 228.A O no hydrogen 2.975 N/A VAL 265.A N TYR 258.A O no hydrogen 3.311 N/A VAL 273.A N VAL 281.A O no hydrogen 3.083 N/A THR 275.A N SER 279.A O no hydrogen 3.009 N/A THR 275.A OG1 SER 279.A O no hydrogen 3.304 N/A GLY 278.A N THR 275.A O no hydrogen 3.438 N/A CYS 280.A N SER 259.A O no hydrogen 2.695 N/A CYS 280.A SG SER 259.A O no hydrogen 3.837 N/A VAL 281.A N VAL 273.A O no hydrogen 2.896 N/A ARG 282.A NE GLN 5.A OE1 no hydrogen 2.647 N/A CYS 284.A SG TYR 289.A O no hydrogen 3.872 N/A SER 288.A OG GLY 285.A O no hydrogen 2.675 N/A SER 288.A OG ALA 286.A O no hydrogen 3.365 N/A TYR 289.A N LYS 300.A O no hydrogen 2.534 N/A MET 291.A N LYS 298.A O no hydrogen 2.846 N/A GLU 293.A N VAL 296.A O no hydrogen 2.888 N/A VAL 296.A N GLU 293.A O no hydrogen 2.844 N/A LYS 298.A N MET 291.A O no hydrogen 2.706 N/A CYS 299.A N VAL 274.A O no hydrogen 2.578 N/A LYS 300.A N TYR 289.A O no hydrogen 2.698 N/A ARG 307.A NH2 THR 336.A OG1 no hydrogen 2.650 N/A CYS 310.A N SER 337.A O no hydrogen 2.867 N/A CYS 310.A SG LYS 308.A O no hydrogen 3.437 N/A GLY 312.A N SER 339.A O no hydrogen 3.307 N/A ILE 313.A N ASP 341.A O no hydrogen 2.598 N/A GLY 314.A N PHE 318.A O no hydrogen 3.050 N/A ILE 315.A N GLY 312.A O no hydrogen 3.213 N/A PHE 318.A N ILE 315.A O no hydrogen 3.277 N/A LYS 319.A N GLY 316.A O no hydrogen 3.212 N/A SER 321.A N PHE 318.A O no hydrogen 3.302 N/A SER 321.A OG PHE 318.A O no hydrogen 3.258 N/A SER 323.A OG HIS 343.A O no hydrogen 2.705 N/A ILE 324.A N HIS 343.A O no hydrogen 2.826 N/A THR 327.A N ASN 325.A OD1 no hydrogen 2.867 N/A ASN 328.A N ASN 325.A OD1 no hydrogen 3.069 N/A ASN 328.A ND2 SER 323.A O no hydrogen 3.499 N/A ILE 329.A N ASN 325.A O no hydrogen 3.121 N/A LYS 330.A NZ GLU 364.A OE2 no hydrogen 3.373 N/A HIS 331.A N ASN 328.A O no hydrogen 3.042 N/A PHE 332.A N ILE 329.A O no hydrogen 3.249 N/A CYS 335.A N PHE 332.A O no hydrogen 3.420 N/A CYS 335.A SG HIS 331.A O no hydrogen 3.535 N/A CYS 335.A SG LYS 333.A O no hydrogen 3.770 N/A THR 336.A N LYS 308.A O no hydrogen 3.393 N/A THR 336.A OG1 THR 370.A O no hydrogen 3.081 N/A SER 337.A OG GLU 373.A OE1 no hydrogen 2.412 N/A ILE 338.A N GLU 373.A O no hydrogen 2.762 N/A SER 339.A N CYS 310.A O no hydrogen 2.638 N/A ASP 341.A N ILE 313.A O no hydrogen 3.209 N/A LEU 342.A N PHE 377.A O no hydrogen 3.245 N/A ILE 344.A N LEU 379.A O no hydrogen 2.688 N/A LEU 345.A N SER 323.A OG no hydrogen 2.912 N/A ALA 348.A N LEU 345.A O no hydrogen 3.156 N/A ARG 350.A N PRO 346.A O no hydrogen 3.247 N/A GLY 351.A N VAL 347.A O no hydrogen 2.697 N/A THR 355.A OG1 ASP 352.A OD1 no hydrogen 2.429 N/A THR 355.A OG1 ASP 352.A OD2 no hydrogen 3.141 N/A THR 355.A OG1 THR 357.A OG1 no hydrogen 3.020 N/A THR 357.A OG1 ASP 352.A OD1 no hydrogen 3.004 N/A THR 357.A OG1 THR 355.A OG1 no hydrogen 3.020 N/A LEU 360.A N ALA 348.A O no hydrogen 2.535 N/A GLU 364.A N ASP 361.A O no hydrogen 3.106 N/A LEU 365.A N PRO 362.A O no hydrogen 3.187 N/A ASP 366.A N GLN 363.A O no hydrogen 3.510 N/A ILE 367.A N GLU 364.A O no hydrogen 3.213 N/A LYS 369.A N ASP 366.A O no hydrogen 3.429 N/A THR 370.A OG1 CYS 335.A O no hydrogen 2.572 N/A VAL 371.A N LEU 368.A O no hydrogen 3.158 N/A LYS 372.A N THR 336.A O no hydrogen 2.508 N/A GLU 373.A N THR 336.A O no hydrogen 3.227 N/A ILE 374.A N ILE 398.A O no hydrogen 3.106 N/A THR 375.A N ILE 338.A O no hydrogen 3.007 N/A THR 375.A OG1 ILE 338.A O no hydrogen 3.299 N/A GLY 376.A N GLY 340.A O no hydrogen 2.827 N/A PHE 377.A N ASP 341.A OD1 no hydrogen 3.209 N/A LEU 378.A N SER 410.A O no hydrogen 3.000 N/A LEU 379.A N LEU 342.A O no hydrogen 2.894 N/A ILE 380.A N ALA 412.A O no hydrogen 2.690 N/A GLN 381.A N ILE 344.A O no hydrogen 2.913 N/A ARG 387.A NH1 ASP 366.A OD1 no hydrogen 3.207 N/A LEU 390.A N LEU 421.A O no hydrogen 3.292 N/A HIS 391.A N ASP 389.A O no hydrogen 2.744 N/A PHE 393.A N LEU 390.A O no hydrogen 3.234 N/A LEU 396.A N PHE 393.A O no hydrogen 3.364 N/A GLU 397.A N LYS 372.A O no hydrogen 3.304 N/A ILE 399.A N GLU 428.A O no hydrogen 3.215 N/A ARG 400.A N ILE 374.A O no hydrogen 2.699 N/A ARG 400.A NE GLU 373.A OE2 no hydrogen 3.227 N/A ARG 400.A NH2 GLU 373.A OE2 no hydrogen 3.449 N/A GLY 401.A N GLY 376.A O no hydrogen 3.023 N/A ARG 402.A N THR 375.A O no hydrogen 3.114 N/A THR 403.A OG1 ASP 341.A OD1 no hydrogen 2.615 N/A LYS 404.A NZ GLY 401.A O no hydrogen 3.364 N/A GLN 405.A N PHE 409.A O no hydrogen 2.608 N/A HIS 406.A ND1 HIS 406.A O no hydrogen 2.473 N/A GLN 408.A N GLN 405.A O no hydrogen 2.752 N/A GLN 408.A NE2 HIS 406.A ND1 no hydrogen 3.297 N/A PHE 409.A N GLN 405.A O no hydrogen 2.917 N/A SER 410.A N ASP 433.A O no hydrogen 2.581 N/A SER 410.A OG ASP 431.A O no hydrogen 2.991 N/A SER 410.A OG ASP 433.A O no hydrogen 3.319 N/A LEU 411.A N ASP 433.A O no hydrogen 3.193 N/A ALA 412.A N LEU 378.A O no hydrogen 2.794 N/A VAL 413.A N ILE 435.A O no hydrogen 3.086 N/A VAL 414.A N ILE 380.A O no hydrogen 2.973 N/A SER 415.A N SER 437.A O no hydrogen 3.302 N/A LEU 416.A N ASN 439.A OD1 no hydrogen 2.824 N/A THR 419.A N THR 388.A O no hydrogen 2.639 N/A SER 420.A N THR 388.A O no hydrogen 3.149 N/A GLY 422.A N TRP 489.A O no hydrogen 3.488 N/A SER 425.A OG GLU 394.A O no hydrogen 2.830 N/A SER 425.A OG LEU 396.A O no hydrogen 2.649 N/A LYS 427.A N GLU 397.A O no hydrogen 2.995 N/A LYS 427.A NZ SER 425.A O no hydrogen 3.137 N/A GLU 428.A N GLU 397.A O no hydrogen 3.142 N/A ILE 429.A N LEU 453.A O no hydrogen 2.598 N/A SER 430.A N ILE 399.A O no hydrogen 3.331 N/A SER 430.A OG ARG 400.A O no hydrogen 2.371 N/A ASP 431.A N ARG 400.A O no hydrogen 3.086 N/A GLY 432.A N ASP 431.A OD1 no hydrogen 2.492 N/A ASP 433.A N GLN 408.A O no hydrogen 2.963 N/A VAL 434.A N LYS 460.A O no hydrogen 3.350 N/A ILE 435.A N LEU 411.A O no hydrogen 2.886 N/A ILE 436.A N LYS 462.A O no hydrogen 2.998 N/A SER 437.A OG ILE 464.A O no hydrogen 3.378 N/A GLY 438.A N SER 465.A O no hydrogen 3.030 N/A ASN 439.A N ASN 466.A OD1 no hydrogen 3.310 N/A ASN 439.A ND2 VAL 413.A O no hydrogen 3.239 N/A ASN 439.A ND2 ASN 466.A OD1 no hydrogen 3.236 N/A LEU 442.A N ASN 439.A O no hydrogen 2.933 N/A CYS 443.A N THR 419.A O no hydrogen 2.903 N/A TYR 444.A OH GLN 477.A OE1 no hydrogen 2.669 N/A THR 447.A N TYR 444.A O no hydrogen 3.261 N/A THR 447.A OG1 TYR 444.A O no hydrogen 2.569 N/A ASN 449.A N GLU 486.A O no hydrogen 2.936 N/A LYS 451.A NZ ASN 449.A OD1 no hydrogen 3.226 N/A LYS 452.A NZ GLU 486.A OE1 no hydrogen 2.906 N/A LEU 453.A N TRP 450.A O no hydrogen 3.164 N/A PHE 454.A N TRP 450.A O no hydrogen 3.206 N/A GLY 455.A N GLN 459.A OE1 no hydrogen 2.950 N/A THR 456.A N GLN 459.A OE1 no hydrogen 2.871 N/A THR 456.A OG1 SER 430.A O no hydrogen 2.493 N/A GLN 459.A NE2 ILE 429.A O no hydrogen 3.531 N/A GLN 459.A NE2 GLY 432.A O no hydrogen 2.458 N/A LYS 460.A NZ ASP 433.A OD2 no hydrogen 2.868 N/A LYS 462.A N VAL 434.A O no hydrogen 2.876 N/A ASN 466.A ND2 ILE 436.A O no hydrogen 3.114 N/A ARG 467.A N LEU 442.A O no hydrogen 3.157 N/A ARG 467.A NE SER 471.A OG no hydrogen 2.682 N/A ARG 467.A NH2 SER 471.A OG no hydrogen 2.796 N/A CYS 472.A N GLY 468.A O no hydrogen 2.892 N/A CYS 472.A SG ARG 467.A O no hydrogen 3.617 N/A CYS 472.A SG GLY 468.A O no hydrogen 3.268 N/A LYS 473.A N GLU 469.A O no hydrogen 2.867 N/A ALA 474.A N ASN 470.A O no hydrogen 3.360 N/A THR 475.A N SER 471.A O no hydrogen 3.403 N/A THR 475.A OG1 SER 471.A O no hydrogen 2.969 N/A THR 475.A OG1 CYS 472.A O no hydrogen 3.125 N/A GLY 476.A N LYS 473.A O no hydrogen 3.307 N/A VAL 478.A N GLY 476.A O no hydrogen 2.711 N/A CYS 479.A SG THR 447.A OG1 no hydrogen 3.578 N/A LEU 482.A N HIS 480.A ND1 no hydrogen 3.053 N/A CYS 483.A N HIS 480.A O no hydrogen 3.074 N/A SER 484.A N SER 498.A O no hydrogen 2.828 N/A SER 484.A OG SER 498.A O no hydrogen 2.783 N/A SER 484.A OG SER 498.A OG no hydrogen 2.316 N/A GLY 487.A N SER 484.A O no hydrogen 3.396 N/A CYS 488.A N THR 447.A OG1 no hydrogen 3.323 N/A CYS 488.A SG GLY 490.A O no hydrogen 3.272 N/A TRP 489.A N ASP 495.A O no hydrogen 2.733 N/A ASP 495.A N GLU 492.A O no hydrogen 3.070 N/A CYS 496.A SG PRO 493.A O no hydrogen 3.402 N/A VAL 497.A N GLY 487.A O no hydrogen 3.320 N/A SER 498.A OG SER 484.A OG no hydrogen 2.316 N/A SER 498.A OG GLU 486.A OE1 no hydrogen 2.831 N/A ARG 500.A N LEU 482.A O no hydrogen 3.275 N/A ARG 500.A NE ALA 481.A O no hydrogen 2.770 N/A ASN 501.A ND2 ASP 510.A O no hydrogen 2.572 N/A ARG 504.A N GLU 507.A O no hydrogen 3.053 N/A CYS 508.A N PRO 493.A O no hydrogen 3.530 N/A CYS 508.A SG PRO 493.A O no hydrogen 3.954 N/A VAL 509.A N VAL 502.A O no hydrogen 3.484 N/A LYS 511.A N ASP 510.A OD1 no hydrogen 2.453 N/A ASN 513.A N GLU 521.A OE2 no hydrogen 2.972 N/A ASN 513.A ND2 PRO 519.A O no hydrogen 3.066 N/A ARG 520.A NE GLY 517.A O no hydrogen 3.175 N/A ARG 520.A NH1 GLN 538.A O no hydrogen 2.898 N/A GLU 521.A N ASN 513.A O no hydrogen 2.728 N/A PHE 522.A N ILE 529.A O no hydrogen 3.032 N/A GLU 524.A N GLU 527.A O no hydrogen 3.264 N/A SER 526.A OG ASN 525.A O no hydrogen 2.517 N/A GLU 527.A N GLU 524.A O no hydrogen 3.087 N/A CYS 528.A N SER 503.A O no hydrogen 2.672 N/A CYS 528.A SG SER 503.A O no hydrogen 3.475 N/A ILE 529.A N PHE 522.A O no hydrogen 3.154 N/A CYS 531.A N ARG 520.A O no hydrogen 2.793 N/A CYS 531.A SG ARG 520.A O no hydrogen 3.347 N/A GLU 534.A N HIS 532.A ND1 no hydrogen 3.099 N/A CYS 535.A N HIS 532.A O no hydrogen 3.002 N/A CYS 535.A SG HIS 532.A O no hydrogen 3.864 N/A LEU 536.A N GLN 554.A O no hydrogen 2.887 N/A GLN 538.A N THR 543.A OG1 no hydrogen 3.320 N/A ILE 542.A N ASN 541.A OD1 no hydrogen 2.859 N/A CYS 544.A SG GLY 546.A O no hydrogen 3.201 N/A THR 545.A N ASN 551.A O no hydrogen 3.013 N/A THR 545.A OG1 ASN 551.A O no hydrogen 3.456 N/A ASN 551.A N GLY 548.A O no hydrogen 3.358 N/A CYS 552.A SG PRO 549.A O no hydrogen 3.740 N/A ILE 553.A N THR 543.A O no hydrogen 3.009 N/A CYS 555.A SG HIS 563.A O no hydrogen 4.045 N/A ALA 556.A N GLU 534.A O no hydrogen 2.901 N/A HIS 557.A ND1 GLU 534.A OE1 no hydrogen 2.920 N/A TYR 558.A N VAL 565.A O no hydrogen 3.382 N/A ILE 559.A N HIS 588.A O no hydrogen 2.828 N/A ASP 560.A N HIS 563.A O no hydrogen 2.855 N/A HIS 563.A N ASP 560.A O no hydrogen 3.070 N/A HIS 563.A ND1 ASP 560.A O no hydrogen 2.992 N/A CYS 564.A SG PRO 549.A O no hydrogen 3.952 N/A VAL 565.A N TYR 558.A O no hydrogen 3.103 N/A GLY 571.A N VAL 580.A O no hydrogen 3.293 N/A VAL 572.A N VAL 580.A O no hydrogen 3.305 N/A GLY 574.A N THR 578.A O no hydrogen 3.022 N/A THR 578.A N GLU 575.A O no hydrogen 3.167 N/A THR 578.A OG1 GLU 575.A O no hydrogen 2.466 N/A VAL 580.A N VAL 572.A O no hydrogen 2.678 N/A LYS 582.A NZ TYR 243.A OH no hydrogen 2.749 N/A LYS 582.A NZ ASP 560.A OD1 no hydrogen 2.730 N/A TYR 583.A N HIS 591.A O no hydrogen 2.975 N/A ASP 585.A N VAL 589.A O no hydrogen 3.178 N/A HIS 588.A N ASP 585.A O no hydrogen 3.366 N/A VAL 589.A N ASP 585.A OD1 no hydrogen 2.623 N/A CYS 590.A N ILE 559.A O no hydrogen 2.618 N/A CYS 590.A SG ILE 559.A O no hydrogen 3.239 N/A HIS 591.A N TYR 583.A O no hydrogen 2.970 N/A CYS 593.A N TRP 581.A O no hydrogen 3.187 N/A ASN 596.A N HIS 594.A ND1 no hydrogen 3.044 N/A CYS 597.A N HIS 594.A O no hydrogen 2.837 N/A CYS 597.A SG GLY 605.A O no hydrogen 3.945 N/A CYS 601.A SG GLY 603.A O no hydrogen 3.466 N/A CYS 609.A N LEU 606.A O no hydrogen 3.290 N/A CYS 609.A SG GLY 600.A O no hydrogen 3.276 N/A