Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8gud_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ LYS 5.A O no hydrogen 3.007 N/A ILE 11.A N LEU 7.A O no hydrogen 2.940 N/A PHE 13.A N ARG 9.A O no hydrogen 2.952 N/A ALA 14.A N GLU 10.A O no hydrogen 2.883 N/A ILE 15.A N ILE 11.A O no hydrogen 2.942 N/A GLY 16.A N GLY 12.A O no hydrogen 3.004 N/A GLU 21.A N PRO 18.A O no hydrogen 3.004 N/A ASP 23.A N VAL 19.A O no hydrogen 2.908 N/A ASP 23.A N CYS 20.A O no hydrogen 2.934 N/A MET 24.A N CYS 20.A O no hydrogen 3.053 N/A GLN 31.A NE2 VAL 25.A O no hydrogen 3.610 N/A GLN 31.A NE2 ASP 27.A O no hydrogen 3.357 N/A ARG 34.A N VAL 30.A O no hydrogen 2.918 N/A ARG 35.A N GLN 31.A O no hydrogen 3.193 N/A ASN 36.A ND2 SER 180.A OG no hydrogen 2.830 N/A LEU 38.A N ARG 35.A O no hydrogen 3.120 N/A ASN 39.A ND2 ASN 36.A OD1 no hydrogen 3.644 N/A CYS 41.A N LEU 38.A O no hydrogen 2.755 N/A LYS 42.A N ASN 39.A O no hydrogen 2.933 N/A GLU 43.A N VAL 40.A O no hydrogen 2.913 N/A ASP 46.A N LYS 42.A O no hydrogen 2.807 N/A LEU 47.A N GLU 43.A O no hydrogen 2.610 N/A ARG 48.A N ALA 44.A O no hydrogen 2.822 N/A ARG 48.A NH1 ALA 510.A O no hydrogen 2.515 N/A ASP 49.A N VAL 45.A O no hydrogen 2.938 N/A LEU 50.A N LEU 47.A O no hydrogen 3.458 N/A ASN 51.A N SER 55.A OG no hydrogen 3.082 N/A SER 55.A N ASN 51.A O no hydrogen 2.815 N/A SER 55.A OG ASN 51.A O no hydrogen 2.861 N/A ARG 56.A NH2 TYR 166.A O no hydrogen 3.142 N/A ALA 57.A N PRO 53.A O no hydrogen 2.705 N/A MET 58.A N HIS 54.A O no hydrogen 2.894 N/A TYR 59.A N SER 55.A O no hydrogen 2.933 N/A TYR 59.A OH CYS 511.A O no hydrogen 2.172 N/A VAL 60.A N ARG 56.A O no hydrogen 2.869 N/A TYR 61.A N ALA 57.A O no hydrogen 2.937 N/A GLU 66.A N GLN 141.A O no hydrogen 2.730 N/A GLU 70.A N GLU 70.A OE1 no hydrogen 2.898 N/A TYR 76.A N PRO 72.A O no hydrogen 2.763 N/A ASN 77.A N LYS 73.A O no hydrogen 2.895 N/A LYS 78.A N HIS 74.A O no hydrogen 2.922 N/A LYS 78.A N ILE 75.A O no hydrogen 3.003 N/A LEU 79.A N TYR 76.A O no hydrogen 3.454 N/A ILE 84.A N ILE 105.A O no hydrogen 2.880 N/A VAL 86.A N LEU 103.A O no hydrogen 2.899 N/A VAL 87.A N PRO 155.A O no hydrogen 3.170 N/A ILE 88.A N TYR 101.A O no hydrogen 2.381 N/A TRP 89.A N LEU 157.A O no hydrogen 3.391 N/A SER 93.A OG ASP 97.A O no hydrogen 3.521 N/A LYS 98.A NZ ILE 598.A O no hydrogen 3.562 N/A GLN 99.A N VAL 90.A O no hydrogen 2.763 N/A LEU 103.A N VAL 86.A O no hydrogen 2.890 N/A ILE 105.A N ILE 84.A O no hydrogen 2.901 N/A HIS 107.A N GLY 82.A O no hydrogen 3.244 N/A HIS 107.A ND1 SER 140.A OG no hydrogen 3.029 N/A CYS 109.A N ASN 106.A O no hydrogen 3.093 N/A CYS 109.A SG ASN 106.A O no hydrogen 3.374 N/A GLU 112.A N GLU 112.A OE1 no hydrogen 3.171 N/A VAL 114.A N VAL 110.A O no hydrogen 3.056 N/A ILE 115.A N PRO 111.A O no hydrogen 2.906 N/A ALA 116.A N GLU 112.A O no hydrogen 2.925 N/A GLU 117.A N GLN 113.A O no hydrogen 2.906 N/A ALA 118.A N VAL 114.A O no hydrogen 2.908 N/A ILE 119.A N ILE 115.A O no hydrogen 3.212 N/A ILE 123.A N MET 160.A O no hydrogen 2.857 N/A LYS 125.A N MET 158.A O no hydrogen 2.917 N/A LYS 125.A NZ VAL 126.A O no hydrogen 2.873 N/A LYS 125.A NZ CYS 129.A O no hydrogen 2.429 N/A LYS 125.A NZ ASP 597.A OD2 no hydrogen 2.496 N/A VAL 126.A N GLU 131.A O no hydrogen 2.823 N/A CYS 127.A SG LYS 125.A O no hydrogen 3.781 N/A CYS 129.A N VAL 126.A O no hydrogen 3.129 N/A ASP 130.A N ALA 568.A O no hydrogen 2.494 N/A TYR 132.A OH ASP 130.A OD1 no hydrogen 3.066 N/A PHE 133.A N LEU 124.A O no hydrogen 2.991 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.601 N/A TYR 137.A N GLU 135.A O no hydrogen 2.819 N/A LEU 139.A N CYS 109.A O no hydrogen 2.745 N/A SER 140.A N HIS 107.A O no hydrogen 3.290 N/A SER 140.A OG HIS 107.A ND1 no hydrogen 3.029 N/A SER 140.A OG HIS 107.A O no hydrogen 2.270 N/A GLN 141.A N PRO 138.A O no hydrogen 3.018 N/A GLN 141.A NE2 GLU 66.A O no hydrogen 3.273 N/A TYR 142.A N LEU 139.A O no hydrogen 3.167 N/A LYS 143.A N ASN 64.A O no hydrogen 3.147 N/A TYR 144.A OH ASN 156.A O no hydrogen 3.259 N/A ARG 146.A N TYR 142.A O no hydrogen 2.781 N/A ARG 146.A NE SER 140.A O no hydrogen 2.734 N/A ARG 146.A NH1 SER 68.A O no hydrogen 2.849 N/A ARG 146.A NH2 SER 68.A O no hydrogen 2.699 N/A ARG 146.A NH2 PRO 69.A O no hydrogen 3.321 N/A ARG 146.A NH2 SER 140.A O no hydrogen 3.178 N/A SER 147.A N LYS 143.A O no hydrogen 2.896 N/A CYS 148.A N TYR 144.A O no hydrogen 2.900 N/A CYS 148.A SG TYR 144.A O no hydrogen 3.283 N/A ILE 149.A N ILE 145.A O no hydrogen 2.886 N/A MET 150.A N ARG 146.A O no hydrogen 2.876 N/A LEU 151.A N SER 147.A O no hydrogen 2.927 N/A GLY 152.A N ILE 149.A O no hydrogen 3.417 N/A ASN 156.A N TYR 144.A OH no hydrogen 2.576 N/A LEU 157.A N VAL 87.A O no hydrogen 3.338 N/A MET 158.A N LYS 125.A O no hydrogen 2.898 N/A MET 160.A N ILE 123.A O no hydrogen 2.957 N/A LYS 162.A N LYS 121.A O no hydrogen 2.917 N/A LYS 162.A NZ GLY 120.A O no hydrogen 3.106 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.972 N/A SER 164.A N ALA 161.A O no hydrogen 2.830 N/A LEU 165.A N LYS 162.A O no hydrogen 2.905 N/A TYR 166.A N LYS 162.A O no hydrogen 2.739 N/A SER 167.A N GLU 163.A O no hydrogen 3.149 N/A SER 167.A OG GLU 163.A O no hydrogen 2.474 N/A GLN 168.A N LEU 165.A O no hydrogen 2.909 N/A THR 175.A OG1 GLU 3.A O no hydrogen 3.118 N/A SER 178.A OG GLU 4.A OE2 no hydrogen 3.318 N/A SER 180.A N PRO 177.A O no hydrogen 3.353 N/A LYS 182.A NZ PHE 321.A O no hydrogen 3.044 N/A LEU 184.A N LYS 326.A O no hydrogen 3.302 N/A TRP 185.A N SER 183.A OG no hydrogen 3.207 N/A VAL 186.A N SER 183.A O no hydrogen 3.400 N/A SER 189.A OG ALA 190.A O no hydrogen 3.133 N/A LEU 191.A N ILE 242.A O no hydrogen 2.840 N/A ILE 193.A N LEU 238.A O no hydrogen 2.959 N/A LYS 194.A N GLU 317.A O no hydrogen 2.874 N/A LYS 194.A NZ ASN 235.A OD1 no hydrogen 3.131 N/A ILE 195.A N GLU 236.A O no hydrogen 2.868 N/A LEU 196.A N GLU 315.A O no hydrogen 2.925 N/A CYS 197.A SG GLU 315.A OE1 no hydrogen 3.191 N/A THR 199.A N CYS 313.A O no hydrogen 2.493 N/A THR 199.A OG1 CYS 313.A O no hydrogen 3.078 N/A TYR 206.A N CYS 258.A O no hydrogen 3.184 N/A VAL 207.A N THR 224.A OG1 no hydrogen 2.571 N/A ARG 208.A N SER 256.A O no hydrogen 2.628 N/A THR 209.A N VAL 222.A O no hydrogen 3.055 N/A THR 209.A OG1 VAL 222.A O no hydrogen 2.615 N/A THR 209.A OG1 TYR 240.A OH no hydrogen 3.034 N/A HIS 213.A N GLU 216.A O no hydrogen 3.347 N/A LEU 218.A N ILE 211.A O no hydrogen 2.558 N/A CYS 219.A SG ASP 220.A O no hydrogen 3.234 N/A ASN 221.A ND2 TYR 212.A OH no hydrogen 3.321 N/A ASN 223.A ND2 ASN 221.A O no hydrogen 3.006 N/A THR 224.A N VAL 207.A O no hydrogen 3.260 N/A THR 224.A OG1 VAL 207.A O no hydrogen 3.203 N/A GLN 225.A N GLU 236.A OE1 no hydrogen 3.303 N/A GLN 225.A N GLU 236.A OE2 no hydrogen 3.064 N/A VAL 227.A N GLN 225.A O no hydrogen 3.193 N/A ARG 233.A N ASN 231.A O no hydrogen 2.618 N/A TRP 234.A N PRO 232.A O no hydrogen 2.621 N/A ASN 235.A N LEU 196.A O no hydrogen 2.996 N/A GLU 236.A N ILE 195.A O no hydrogen 2.947 N/A TYR 240.A N LEU 191.A O no hydrogen 2.631 N/A TYR 243.A OH ASN 188.A OD1 no hydrogen 2.725 N/A ILE 244.A N SER 189.A O no hydrogen 3.050 N/A ASP 246.A N TYR 243.A O no hydrogen 2.853 N/A LEU 247.A N ILE 244.A O no hydrogen 2.851 N/A ARG 249.A NH1 ARG 249.A O no hydrogen 3.559 N/A ARG 249.A NH1 TYR 460.A OH no hydrogen 2.116 N/A ARG 249.A NH2 ASP 272.A O no hydrogen 3.370 N/A ARG 249.A NH2 ASP 275.A OD1 no hydrogen 2.255 N/A ALA 251.A N PRO 248.A O no hydrogen 3.135 N/A ARG 252.A N ALA 250.A O no hydrogen 2.960 N/A ARG 252.A NH1 ALA 250.A O no hydrogen 3.335 N/A CYS 254.A N GLY 210.A O no hydrogen 3.000 N/A CYS 254.A SG ARG 252.A O no hydrogen 3.318 N/A LEU 255.A N GLY 266.A O no hydrogen 2.823 N/A ILE 257.A N ALA 264.A O no hydrogen 2.868 N/A CYS 258.A N TYR 206.A O no hydrogen 2.875 N/A CYS 258.A SG SER 256.A O no hydrogen 3.371 N/A CYS 258.A SG SER 256.A OG no hydrogen 2.689 N/A CYS 258.A SG HIS 260.A O no hydrogen 4.004 N/A HIS 260.A ND1 TYR 206.A OH no hydrogen 2.285 N/A CYS 261.A SG PRO 262.A O no hydrogen 3.960 N/A ALA 264.A N ILE 257.A O no hydrogen 2.955 N/A GLY 266.A N LEU 255.A O no hydrogen 2.965 N/A ASN 267.A ND2 PRO 299.A O no hydrogen 3.416 N/A ILE 268.A N LEU 253.A O no hydrogen 2.921 N/A ASN 269.A N THR 303.A OG1 no hydrogen 3.150 N/A ASN 269.A ND2 GLN 459.A OE1 no hydrogen 2.403 N/A TYR 273.A N ASP 272.A OD1 no hydrogen 2.672 N/A ASP 275.A N ASP 272.A O no hydrogen 2.494 N/A LEU 277.A N VAL 325.A O no hydrogen 3.182 N/A SER 279.A OG LEU 277.A O no hydrogen 3.420 N/A SER 279.A OG ASP 319.A O no hydrogen 2.935 N/A LYS 281.A NZ GLU 317.A OE1 no hydrogen 3.000 N/A MET 282.A N LEU 316.A O no hydrogen 2.911 N/A LEU 284.A N LEU 314.A O no hydrogen 2.942 N/A ASN 285.A ND2 LYS 309.A O no hydrogen 3.183 N/A ASN 285.A ND2 THR 311.A O no hydrogen 2.525 N/A LEU 286.A N PRO 312.A O no hydrogen 2.829 N/A TRP 287.A N TRP 265.A O no hydrogen 2.999 N/A LEU 297.A N ASP 295.A OD2 no hydrogen 3.372 N/A THR 303.A OG1 ASN 269.A OD1 no hydrogen 2.572 N/A GLY 304.A N THR 303.A OG1 no hydrogen 2.664 N/A ASN 306.A ND2 LEU 286.A O no hydrogen 3.655 N/A ASN 308.A N ASN 306.A OD1 no hydrogen 2.654 N/A GLU 310.A N ASN 308.A OD1 no hydrogen 3.186 N/A THR 311.A OG1 LEU 286.A O no hydrogen 3.460 N/A THR 311.A OG1 ASN 308.A O no hydrogen 3.010 N/A CYS 313.A SG LEU 314.A O no hydrogen 3.982 N/A LEU 314.A N LEU 284.A O no hydrogen 2.878 N/A GLU 315.A N CYS 197.A O no hydrogen 2.662 N/A LEU 316.A N MET 282.A O no hydrogen 2.859 N/A GLU 317.A N LYS 194.A O no hydrogen 2.900 N/A PHE 318.A N GLY 280.A O no hydrogen 3.416 N/A SER 322.A OG PHE 321.A O no hydrogen 2.526 N/A SER 323.A OG VAL 324.A O no hydrogen 3.316 N/A LYS 326.A N LYS 182.A O no hydrogen 2.963 N/A LYS 326.A NZ THR 274.A O no hydrogen 2.375 N/A PHE 327.A N ASP 275.A O no hydrogen 3.031 N/A VAL 332.A N ASP 329.A OD1 no hydrogen 3.376 N/A ILE 333.A N ASP 329.A O no hydrogen 3.350 N/A GLU 334.A N MET 330.A O no hydrogen 2.884 N/A GLU 335.A N SER 331.A O no hydrogen 2.910 N/A HIS 336.A N VAL 332.A O no hydrogen 2.891 N/A ALA 337.A N ILE 333.A O no hydrogen 2.938 N/A ASN 338.A N GLU 335.A O no hydrogen 3.183 N/A GLU 341.A N GLU 341.A OE1 no hydrogen 2.825 N/A GLN 346.A N ASN 342.A O no hydrogen 3.008 N/A ALA 349.A N GLU 345.A O no hydrogen 2.924 N/A ILE 350.A N GLN 346.A O no hydrogen 2.940 N/A SER 351.A N LEU 347.A O no hydrogen 2.908 N/A SER 351.A OG LEU 347.A O no hydrogen 2.985 N/A THR 352.A N LYS 348.A O no hydrogen 3.173 N/A THR 352.A OG1 LYS 348.A O no hydrogen 3.090 N/A THR 352.A OG1 ALA 349.A O no hydrogen 3.235 N/A ARG 353.A N ILE 350.A O no hydrogen 2.909 N/A ARG 353.A NE ALA 349.A O no hydrogen 3.458 N/A SER 357.A N ASP 354.A O no hydrogen 2.920 N/A GLU 363.A N THR 360.A OG1 no hydrogen 3.260 N/A LYS 364.A N THR 360.A O no hydrogen 2.441 N/A ASP 365.A N LYS 361.A O no hydrogen 2.903 N/A LEU 367.A N GLU 363.A O no hydrogen 2.888 N/A TRP 368.A N LYS 364.A O no hydrogen 2.851 N/A SER 369.A N ASP 365.A O no hydrogen 2.906 N/A HIS 370.A N PHE 366.A O no hydrogen 3.286 N/A CYS 374.A N HIS 370.A O no hydrogen 3.022 N/A CYS 374.A SG HIS 370.A O no hydrogen 3.318 N/A VAL 375.A N ARG 371.A O no hydrogen 3.390 N/A THR 376.A N TYR 373.A O no hydrogen 2.945 N/A THR 376.A OG1 TYR 373.A O no hydrogen 3.463 N/A GLU 379.A N GLU 379.A OE2 no hydrogen 2.513 N/A LEU 381.A N PRO 378.A O no hydrogen 2.940 N/A LYS 383.A N ILE 380.A O no hydrogen 2.787 N/A LYS 383.A NZ ASP 354.A O no hydrogen 3.035 N/A LYS 383.A NZ SER 357.A O no hydrogen 3.417 N/A LEU 384.A N ILE 380.A O no hydrogen 2.800 N/A LEU 385.A N LEU 381.A O no hydrogen 3.269 N/A SER 387.A N LEU 384.A O no hydrogen 2.919 N/A SER 387.A OG LEU 384.A O no hydrogen 2.434 N/A VAL 388.A N LEU 385.A O no hydrogen 3.339 N/A LYS 389.A N GLU 395.A OE1 no hydrogen 2.321 N/A ASN 391.A ND2 LEU 218.A O no hydrogen 2.271 N/A GLU 395.A N SER 392.A OG no hydrogen 3.067 N/A ALA 397.A N ARG 393.A O no hydrogen 2.901 N/A GLN 398.A N ASP 394.A O no hydrogen 2.869 N/A MET 399.A N GLU 395.A O no hydrogen 2.998 N/A TYR 400.A N VAL 396.A O no hydrogen 2.921 N/A TYR 400.A OH ASP 424.A OD1 no hydrogen 2.248 N/A TYR 400.A OH ASP 424.A OD2 no hydrogen 3.078 N/A CYS 401.A SG ASN 338.A OD1 no hydrogen 3.992 N/A LEU 402.A N MET 399.A O no hydrogen 2.564 N/A VAL 403.A N MET 399.A O no hydrogen 2.977 N/A LYS 404.A NZ GLU 334.A OE1 no hydrogen 3.037 N/A GLN 413.A N LYS 410.A O no hydrogen 2.784 N/A ALA 414.A N LYS 410.A O no hydrogen 2.933 N/A GLU 416.A N GLN 413.A O no hydrogen 3.433 N/A CYS 420.A SG ASP 419.A OD1 no hydrogen 3.869 N/A CYS 420.A SG ASP 419.A OD2 no hydrogen 3.879 N/A CYS 420.A SG ASN 421.A OD1 no hydrogen 3.911 N/A TYR 422.A OH PRO 382.A O no hydrogen 2.484 N/A MET 426.A N ASP 424.A OD2 no hydrogen 2.842 N/A VAL 427.A N ASP 424.A OD2 no hydrogen 3.213 N/A ARG 428.A N ASP 424.A O no hydrogen 3.223 N/A ARG 428.A NE TYR 422.A O no hydrogen 3.195 N/A GLY 429.A N PRO 425.A O no hydrogen 3.304 N/A PHE 430.A N MET 426.A O no hydrogen 2.929 N/A ALA 431.A N VAL 427.A O no hydrogen 2.970 N/A VAL 432.A N ARG 428.A O no hydrogen 2.908 N/A ARG 433.A N GLY 429.A O no hydrogen 2.881 N/A CYS 434.A N PHE 430.A O no hydrogen 2.965 N/A CYS 434.A SG PHE 430.A O no hydrogen 3.147 N/A LEU 435.A N ALA 431.A O no hydrogen 2.917 N/A GLU 436.A N VAL 432.A O no hydrogen 2.872 N/A TYR 438.A N CYS 434.A O no hydrogen 3.143 N/A THR 440.A OG1 ASP 442.A OD1 no hydrogen 2.817 N/A LEU 444.A N THR 440.A O no hydrogen 2.518 N/A SER 445.A N ASP 441.A O no hydrogen 2.859 N/A SER 445.A OG ASP 441.A O no hydrogen 2.361 N/A GLN 446.A N ASP 442.A O no hydrogen 2.903 N/A TYR 447.A N LYS 443.A O no hydrogen 2.886 N/A LEU 451.A N TYR 447.A O no hydrogen 2.932 N/A VAL 452.A N LEU 448.A O no hydrogen 2.906 N/A VAL 454.A N LEU 451.A O no hydrogen 3.363 N/A LEU 455.A N VAL 452.A O no hydrogen 3.214 N/A LYS 456.A NZ GLU 490.A OE1 no hydrogen 3.435 N/A GLU 458.A N LEU 455.A O no hydrogen 3.286 N/A LEU 461.A N GLU 29.A OE2 no hydrogen 3.405 N/A ASN 463.A ND2 TYR 460.A O no hydrogen 2.235 N/A ARG 467.A NH1 ILE 37.A O no hydrogen 3.270 N/A PHE 468.A N LEU 464.A O no hydrogen 2.960 N/A LEU 469.A N LEU 465.A O no hydrogen 2.886 N/A LEU 470.A N VAL 466.A O no hydrogen 2.895 N/A LYS 471.A N ARG 467.A O no hydrogen 2.914 N/A LYS 472.A N PHE 468.A O no hydrogen 2.978 N/A ALA 473.A N LEU 469.A O no hydrogen 2.912 N/A LEU 474.A N LEU 470.A O no hydrogen 2.939 N/A LEU 474.A N LYS 471.A O no hydrogen 3.226 N/A THR 475.A N LYS 472.A O no hydrogen 3.193 N/A THR 475.A OG1 LYS 471.A O no hydrogen 3.341 N/A ASN 476.A N LYS 472.A O no hydrogen 3.463 N/A GLY 480.A N ASN 476.A O no hydrogen 2.741 N/A HIS 481.A NE2 PRO 564.A O no hydrogen 2.337 N/A PHE 482.A N ARG 478.A O no hydrogen 2.788 N/A PHE 483.A N ILE 479.A O no hydrogen 2.849 N/A PHE 484.A N GLY 480.A O no hydrogen 2.844 N/A TRP 485.A N HIS 481.A O no hydrogen 2.993 N/A TRP 485.A NE1 GLN 521.A OE1 no hydrogen 3.005 N/A HIS 486.A N PHE 482.A O no hydrogen 2.808 N/A LEU 487.A N PHE 483.A O no hydrogen 2.972 N/A LYS 488.A N PHE 484.A O no hydrogen 2.864 N/A LYS 488.A NZ ALA 14.A O no hydrogen 2.781 N/A SER 489.A N TRP 485.A O no hydrogen 2.877 N/A SER 489.A OG TRP 485.A O no hydrogen 3.562 N/A SER 489.A OG HIS 486.A O no hydrogen 2.283 N/A GLU 490.A N HIS 486.A O no hydrogen 2.973 N/A MET 491.A N LYS 488.A O no hydrogen 3.429 N/A HIS 492.A ND1 SER 489.A O no hydrogen 2.562 N/A SER 497.A OG ASN 493.A O no hydrogen 3.350 N/A SER 497.A OG LYS 494.A O no hydrogen 2.747 N/A PHE 500.A N VAL 496.A O no hydrogen 2.844 N/A GLY 501.A N SER 497.A O no hydrogen 2.870 N/A LEU 503.A N ARG 499.A O no hydrogen 2.945 N/A LEU 504.A N PHE 500.A O no hydrogen 2.818 N/A GLU 505.A N GLY 501.A O no hydrogen 2.957 N/A SER 506.A N LEU 502.A O no hydrogen 2.882 N/A SER 506.A OG LEU 502.A O no hydrogen 2.380 N/A TYR 507.A N LEU 503.A O no hydrogen 2.972 N/A TYR 507.A OH ALA 473.A O no hydrogen 3.176 N/A CYS 508.A N LEU 504.A O no hydrogen 2.695 N/A CYS 508.A SG LEU 504.A O no hydrogen 3.656 N/A ARG 509.A NE TYR 179.A OH no hydrogen 3.095 N/A ARG 509.A NH1 ASN 8.A OD1 no hydrogen 2.454 N/A ARG 509.A NH2 ASN 8.A OD1 no hydrogen 3.111 N/A ALA 510.A N TYR 507.A O no hydrogen 3.209 N/A CYS 511.A N TYR 507.A O no hydrogen 3.064 N/A CYS 511.A SG TYR 507.A O no hydrogen 3.549 N/A TYR 514.A OH HIS 481.A ND1 no hydrogen 2.779 N/A LEU 515.A N GLY 512.A O no hydrogen 3.356 N/A LYS 516.A N MET 513.A O no hydrogen 2.942 N/A LYS 516.A NZ ASP 172.A OD2 no hydrogen 2.769 N/A LYS 516.A NZ MET 513.A O no hydrogen 3.556 N/A LEU 518.A N TYR 514.A O no hydrogen 2.352 N/A ASN 519.A N LEU 515.A O no hydrogen 2.382 N/A ASN 519.A ND2 GLU 10.A O no hydrogen 3.583 N/A ARG 520.A N LYS 516.A O no hydrogen 2.581 N/A ARG 520.A NE GLN 559.A O no hydrogen 3.286 N/A ARG 520.A NH1 ASP 556.A OD2 no hydrogen 3.464 N/A ARG 520.A NH2 ASP 556.A OD1 no hydrogen 3.365 N/A ARG 520.A NH2 GLN 559.A O no hydrogen 3.219 N/A GLN 521.A N HIS 517.A O no hydrogen 2.475 N/A GLN 521.A NE2 TYR 514.A OH no hydrogen 2.298 N/A VAL 522.A N LEU 518.A O no hydrogen 2.590 N/A GLU 523.A N ASN 519.A O no hydrogen 2.442 N/A ALA 524.A N ARG 520.A O no hydrogen 2.885 N/A MET 525.A N GLN 521.A O no hydrogen 2.578 N/A GLU 526.A N VAL 522.A O no hydrogen 2.543 N/A LYS 527.A N GLU 523.A O no hydrogen 2.986 N/A LEU 528.A N ALA 524.A O no hydrogen 3.430 N/A ILE 529.A N MET 525.A O no hydrogen 2.440 N/A ASN 530.A N GLU 526.A O no hydrogen 2.727 N/A LEU 531.A N LYS 527.A O no hydrogen 2.274 N/A THR 532.A N LEU 528.A O no hydrogen 2.723 N/A THR 532.A OG1 LEU 528.A O no hydrogen 2.859 N/A THR 532.A OG1 ILE 529.A O no hydrogen 2.786 N/A ASP 533.A N ILE 529.A O no hydrogen 3.252 N/A ILE 534.A N ASN 530.A O no hydrogen 2.606 N/A LEU 535.A N LEU 531.A O no hydrogen 2.648 N/A LYS 536.A N THR 532.A O no hydrogen 2.615 N/A LYS 536.A NZ ASN 613.A O no hydrogen 3.007 N/A LYS 536.A NZ ASN 613.A OD1 no hydrogen 2.269 N/A THR 537.A OG1 THR 537.A O no hydrogen 2.594 N/A MET 542.A N GLN 538.A O no hydrogen 2.431 N/A LYS 543.A N LYS 539.A O no hydrogen 2.939 N/A PHE 544.A N VAL 540.A O no hydrogen 2.865 N/A LEU 545.A N GLN 541.A O no hydrogen 2.919 N/A VAL 546.A N MET 542.A O no hydrogen 2.938 N/A GLU 547.A N LYS 543.A O no hydrogen 2.896 N/A GLN 548.A N PHE 544.A O no hydrogen 2.841 N/A GLN 548.A NE2 GLU 547.A OE1 no hydrogen 3.231 N/A MET 549.A N LEU 545.A O no hydrogen 2.950 N/A MET 549.A N VAL 546.A O no hydrogen 3.254 N/A ARG 550.A N VAL 546.A O no hydrogen 2.893 N/A ARG 550.A N GLU 547.A O no hydrogen 3.308 N/A PHE 554.A N ASP 553.A OD1 no hydrogen 2.779 N/A MET 555.A N ARG 551.A O no hydrogen 2.641 N/A ASP 556.A N PRO 552.A O no hydrogen 2.886 N/A ALA 557.A N ASP 553.A O no hydrogen 3.514 N/A SER 563.A N HIS 569.A O no hydrogen 3.364 N/A LEU 565.A N SER 563.A OG no hydrogen 3.337 N/A ASN 566.A N SER 563.A O no hydrogen 3.184 N/A ALA 568.A N ASN 566.A OD1 no hydrogen 3.374 N/A HIS 569.A N ASN 566.A O no hydrogen 2.956 N/A GLY 572.A N GLU 594.A O no hydrogen 3.218 N/A ARG 575.A N ASN 592.A O no hydrogen 2.997 N/A ARG 575.A NH1 GLU 594.A OE2 no hydrogen 3.500 N/A GLU 578.A N ARG 575.A O no hydrogen 3.153 N/A CYS 579.A SG ARG 575.A O no hydrogen 3.257 N/A CYS 579.A SG ASN 592.A O no hydrogen 3.245 N/A ARG 580.A N TRP 590.A O no hydrogen 2.688 N/A LEU 589.A N PHE 611.A O no hydrogen 2.882 N/A TRP 590.A N ARG 580.A O no hydrogen 2.816 N/A LEU 591.A N ILE 609.A O no hydrogen 2.940 N/A ASN 592.A ND2 ASN 607.A O no hydrogen 2.968 N/A TRP 593.A N ASN 607.A O no hydrogen 2.878 N/A GLU 594.A N ASN 573.A O no hydrogen 3.117 N/A ILE 598.A N ASP 597.A OD1 no hydrogen 3.239 N/A SER 600.A OG ASN 595.A O no hydrogen 2.877 N/A SER 600.A OG ASP 597.A O no hydrogen 3.222 N/A LEU 603.A N CYS 127.A O no hydrogen 3.428 N/A ASN 607.A N TRP 593.A O no hydrogen 2.877 N/A ASN 607.A ND2 HIS 569.A ND1 no hydrogen 2.803 N/A ILE 609.A N LEU 591.A O no hydrogen 2.948 N/A ILE 610.A N ILE 658.A O no hydrogen 2.899 N/A PHE 611.A N LEU 589.A O no hydrogen 2.876 N/A LYS 612.A N GLY 656.A O no hydrogen 2.887 N/A LYS 612.A NZ ASP 615.A OD2 no hydrogen 3.523 N/A GLY 614.A N CYS 654.A O no hydrogen 2.574 N/A MET 621.A N LEU 617.A O no hydrogen 3.160 N/A LEU 622.A N ARG 618.A O no hydrogen 2.905 N/A THR 623.A N GLN 619.A O no hydrogen 2.934 N/A THR 623.A OG1 ASP 620.A O no hydrogen 2.545 N/A LEU 624.A N ASP 620.A O no hydrogen 2.958 N/A GLN 625.A N MET 621.A O no hydrogen 2.868 N/A ILE 626.A N LEU 622.A O no hydrogen 2.974 N/A ILE 627.A N THR 623.A O no hydrogen 2.910 N/A ARG 628.A N LEU 624.A O no hydrogen 2.903 N/A ARG 628.A NH2 PRO 645.A O no hydrogen 2.236 N/A ILE 629.A N GLN 625.A O no hydrogen 2.997 N/A MET 630.A N ILE 626.A O no hydrogen 2.895 N/A GLU 631.A N ILE 627.A O no hydrogen 2.896 N/A ASN 632.A N ARG 628.A O no hydrogen 2.910 N/A ASN 632.A ND2 SER 67.A OG no hydrogen 3.404 N/A ILE 633.A N ILE 629.A O no hydrogen 2.905 N/A TRP 634.A N GLU 631.A O no hydrogen 3.089 N/A TRP 634.A NE1 ALA 772.A O no hydrogen 2.560 N/A GLN 635.A N GLU 631.A O no hydrogen 2.651 N/A GLN 635.A NE2 LEU 641.A O no hydrogen 2.198 N/A ASN 636.A ND2 ASN 632.A O no hydrogen 2.371 N/A LEU 639.A N TRP 634.A O no hydrogen 3.168 N/A LEU 641.A N LEU 639.A O no hydrogen 2.557 N/A ARG 642.A N ARG 702.A O no hydrogen 3.015 N/A LEU 649.A N LEU 657.A O no hydrogen 2.981 N/A SER 650.A OG VAL 655.A O no hydrogen 2.982 N/A ILE 651.A N VAL 655.A O no hydrogen 2.585 N/A GLY 652.A N VAL 655.A O no hydrogen 3.246 N/A CYS 654.A SG ASP 653.A O no hydrogen 2.956 N/A GLY 656.A N LYS 612.A O no hydrogen 2.866 N/A LEU 657.A N LEU 649.A O no hydrogen 2.830 N/A ILE 658.A N ILE 610.A O no hydrogen 2.909 N/A GLU 659.A N GLY 647.A O no hydrogen 3.352 N/A ARG 662.A NH2 LEU 603.A O no hydrogen 3.451 N/A HIS 665.A N VAL 726.A O no hydrogen 2.435 N/A HIS 665.A NE2 ASP 728.A OD2 no hydrogen 2.563 N/A MET 668.A N ILE 724.A O no hydrogen 3.095 N/A ILE 670.A N ILE 667.A O no hydrogen 2.990 N/A GLN 671.A N ILE 667.A O no hydrogen 2.684 N/A CYS 672.A N MET 668.A O no hydrogen 3.140 N/A CYS 672.A SG THR 679.A OG1 no hydrogen 2.923 N/A CYS 672.A SG ASP 744.A OD2 no hydrogen 3.341 N/A LYS 673.A N MET 668.A O no hydrogen 2.806 N/A GLY 674.A N ILE 670.A O no hydrogen 2.994 N/A SER 677.A N ASN 676.A OD1 no hydrogen 2.623 N/A SER 677.A OG SER 677.A O no hydrogen 2.357 N/A SER 677.A OG ASP 744.A OD1 no hydrogen 2.614 N/A HIS 678.A N ASN 676.A OD1 no hydrogen 3.135 N/A THR 679.A OG1 CYS 672.A O no hydrogen 2.599 N/A GLN 682.A N HIS 678.A O no hydrogen 3.425 N/A TRP 683.A N THR 679.A O no hydrogen 2.887 N/A LEU 684.A N LEU 680.A O no hydrogen 2.908 N/A LYS 685.A N HIS 681.A O no hydrogen 2.872 N/A ASP 686.A N GLN 682.A O no hydrogen 2.906 N/A LYS 687.A N TRP 683.A O no hydrogen 3.237 N/A ASN 688.A N LYS 685.A O no hydrogen 3.047 N/A TYR 693.A N GLY 690.A O no hydrogen 3.136 N/A ILE 697.A N ASP 694.A O no hydrogen 2.921 N/A ASP 698.A N ASP 694.A O no hydrogen 2.394 N/A LEU 699.A N ALA 695.A O no hydrogen 2.605 N/A PHE 700.A N ILE 697.A O no hydrogen 2.943 N/A THR 701.A N ILE 697.A O no hydrogen 3.456 N/A THR 701.A OG1 ASP 698.A O no hydrogen 3.140 N/A SER 703.A N PHE 700.A O no hydrogen 2.926 N/A CYS 704.A N THR 701.A O no hydrogen 2.910 N/A ALA 705.A N THR 701.A O no hydrogen 2.618 N/A CYS 708.A N CYS 704.A O no hydrogen 3.175 N/A CYS 708.A SG CYS 704.A O no hydrogen 3.222 N/A CYS 708.A SG ALA 705.A O no hydrogen 3.214 N/A THR 711.A N TYR 707.A O no hydrogen 3.250 N/A THR 711.A OG1 TYR 707.A O no hydrogen 2.561 N/A PHE 712.A N VAL 709.A O no hydrogen 3.292 N/A ILE 713.A N VAL 709.A O no hydrogen 2.740 N/A LEU 714.A N ALA 710.A O no hydrogen 3.331 N/A GLY 715.A N PHE 712.A O no hydrogen 3.017 N/A ILE 716.A N THR 711.A O no hydrogen 3.139 N/A ARG 719.A NE THR 711.A OG1 no hydrogen 3.046 N/A ARG 719.A NH2 THR 711.A OG1 no hydrogen 2.436 N/A HIS 720.A N ASN 723.A OD1 no hydrogen 3.261 N/A SER 722.A N HIS 720.A ND1 no hydrogen 3.207 N/A ASN 723.A N HIS 720.A O no hydrogen 3.111 N/A MET 725.A N PHE 733.A O no hydrogen 3.535 N/A LYS 727.A N GLN 731.A O no hydrogen 2.441 N/A LEU 732.A N SER 703.A OG no hydrogen 2.641 N/A ILE 735.A N.A ASN 723.A O no hydrogen 3.472 N/A LEU 741.A N GLY 715.A O no hydrogen 2.900 N/A ILE 749.A N LEU 746.A O no hydrogen 3.129 N/A SER 750.A N LEU 746.A O no hydrogen 3.337 N/A SER 750.A OG LEU 746.A O no hydrogen 3.169 N/A SER 750.A OG ILE 747.A O no hydrogen 3.231 N/A LYS 751.A N VAL 748.A O no hydrogen 3.121 N/A GLY 752.A N ILE 747.A O no hydrogen 2.675 N/A CYS 756.A SG LEU 746.A O no hydrogen 3.434 N/A THR 757.A N GLU 755.A OE2 no hydrogen 3.359 N/A THR 757.A OG1 GLU 755.A OE2 no hydrogen 3.158 N/A THR 759.A N CYS 756.A O no hydrogen 2.998 N/A THR 759.A OG1 CYS 756.A O no hydrogen 2.413 N/A PHE 762.A N THR 759.A OG1 no hydrogen 3.346 N/A ARG 764.A N ARG 760.A O no hydrogen 2.915 N/A PHE 765.A N GLU 761.A O no hydrogen 2.896 N/A GLN 766.A N PHE 762.A O no hydrogen 2.942 N/A GLU 767.A N GLU 763.A O no hydrogen 2.899 N/A MET 768.A N ARG 764.A O no hydrogen 2.916 N/A CYS 769.A N PHE 765.A O no hydrogen 2.916 N/A CYS 769.A SG ALA 705.A O no hydrogen 3.979 N/A CYS 769.A SG PHE 765.A O no hydrogen 3.273 N/A TYR 770.A N GLN 766.A O no hydrogen 2.927 N/A ALA 772.A N MET 768.A O no hydrogen 2.900 N/A LEU 774.A N TYR 770.A O no hydrogen 2.957 N/A ARG 777.A N TYR 773.A O no hydrogen 3.028 N/A ARG 777.A NE LEU 811.A O no hydrogen 2.767 N/A ARG 777.A NE ALA 812.A O no hydrogen 3.271 N/A ARG 777.A NH2 ALA 812.A O no hydrogen 2.263 N/A ARG 777.A NH2 LYS 815.A O no hydrogen 2.838 N/A GLN 778.A N ALA 775.A O no hydrogen 3.143 N/A HIS 779.A N ILE 776.A O no hydrogen 3.219 N/A HIS 779.A ND1 ALA 775.A O no hydrogen 2.714 N/A ILE 784.A N ALA 780.A O no hydrogen 2.952 N/A ASN 785.A N ASN 781.A O no hydrogen 2.930 N/A ASN 785.A ND2 GLU 412.A O no hydrogen 2.772 N/A LEU 786.A N LEU 782.A O no hydrogen 2.958 N/A PHE 787.A N PHE 783.A O no hydrogen 2.946 N/A SER 788.A N ILE 784.A O no hydrogen 2.903 N/A SER 788.A OG GLU 416.A OE1 no hydrogen 2.238 N/A SER 788.A OG GLU 416.A OE2 no hydrogen 3.284 N/A SER 788.A OG ILE 784.A O no hydrogen 3.273 N/A SER 788.A OG ASN 785.A O no hydrogen 2.684 N/A MET 789.A N ASN 785.A O no hydrogen 2.983 N/A MET 790.A N PHE 787.A O no hydrogen 3.457 N/A SER 793.A OG MET 790.A O no hydrogen 2.673 N/A MET 795.A N SER 793.A OG no hydrogen 3.362 N/A GLN 799.A NE2 PRO 796.A O no hydrogen 3.561 N/A SER 800.A N ASP 803.A OD2 no hydrogen 3.463 N/A ASP 803.A N SER 800.A O no hydrogen 3.195 N/A ALA 805.A N PHE 801.A O no hydrogen 2.939 N/A TYR 806.A N ASP 803.A O no hydrogen 3.123 N/A LYS 809.A N ALA 805.A O no hydrogen 2.945 N/A THR 810.A N TYR 806.A O no hydrogen 2.926 N/A THR 810.A OG1 ILE 713.A O no hydrogen 2.443 N/A THR 810.A OG1 TYR 806.A O no hydrogen 3.516 N/A THR 810.A OG1 ILE 807.A O no hydrogen 3.045 N/A LEU 811.A N ILE 807.A O no hydrogen 2.898 N/A ALA 812.A N ARG 808.A O no hydrogen 2.806 N/A LYS 815.A NZ ASP 814.A OD1 no hydrogen 3.494 N/A ALA 820.A N THR 816.A O no hydrogen 2.832 N/A LEU 821.A N GLN 818.A O no hydrogen 3.275 N/A GLU 822.A N GLU 822.A OE1 no hydrogen 2.481 N/A TYR 823.A N ALA 820.A O no hydrogen 3.296 N/A TYR 823.A OH LYS 809.A O no hydrogen 2.197 N/A LYS 826.A N GLU 822.A O no hydrogen 2.931 N/A MET 828.A N PHE 824.A O no hydrogen 2.859 N/A ASN 829.A N MET 825.A O no hydrogen 2.864 N/A ASP 830.A N LYS 826.A O no hydrogen 2.915 N/A ALA 831.A N GLN 827.A O no hydrogen 2.899 N/A HIS 832.A ND1 GLY 834.A O no hydrogen 2.590 N/A GLY 834.A N ASN 829.A O no hydrogen 2.929 N/A