Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4puf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N GLU 1.A O no hydrogen 3.129 N/A SER 5.A OG GLU 1.A O no hydrogen 2.989 N/A SER 5.A OG LEU 2.A O no hydrogen 3.537 N/A TRP 7.A N ILE 3.A O no hydrogen 3.282 N/A VAL 8.A N TRP 4.A O no hydrogen 2.853 N/A LYS 9.A N GLU 6.A O no hydrogen 3.291 N/A GLU 10.A N TRP 7.A O no hydrogen 3.337 N/A ALA 11.A N VAL 8.A O no hydrogen 2.689 N/A LYS 14.A NZ THR 45.A OG1 no hydrogen 3.207 N/A ARG 19.A NH1 ARG 19.A O no hydrogen 2.947 N/A GLU 21.A N ASN 18.A O no hydrogen 3.260 N/A GLN 24.A N GLU 20.A O no hydrogen 3.201 N/A MET 26.A N ALA 22.A O no hydrogen 3.049 N/A ASP 28.A N GLN 24.A O no hydrogen 3.197 N/A CYS 29.A N ARG 25.A O no hydrogen 3.349 N/A CYS 29.A SG ARG 25.A O no hydrogen 3.320 N/A CYS 29.A SG MET 26.A O no hydrogen 3.147 N/A LEU 30.A N ARG 27.A O no hydrogen 3.204 N/A ASN 32.A N ASP 28.A O no hydrogen 3.252 N/A LYS 34.A N CYS 29.A O no hydrogen 3.266 N/A LEU 37.A N THR 57.A O no hydrogen 2.782 N/A ILE 41.A N ASP 61.A O no hydrogen 3.462 N/A GLN 54.A NE2 LEU 30.A O no hydrogen 3.345 N/A GLN 54.A NE2 ASN 33.A OD1 no hydrogen 3.089 N/A ILE 55.A N PRO 52.A O no hydrogen 3.146 N/A THR 57.A OG1 THR 78.A OG1 no hydrogen 2.749 N/A LEU 58.A N THR 78.A O no hydrogen 3.016 N/A ILE 59.A N LEU 37.A O no hydrogen 3.122 N/A LEU 60.A N TYR 80.A O no hydrogen 2.855 N/A ASN 62.A N ASN 82.A O no hydrogen 2.963 N/A GLU 64.A N GLU 64.A OE2 no hydrogen 2.436 N/A GLN 73.A N ALA 49.A O no hydrogen 2.927 N/A LYS 77.A N THR 56.A O no hydrogen 2.886 N/A THR 78.A N THR 56.A O no hydrogen 3.095 N/A THR 78.A OG1 THR 56.A O no hydrogen 3.547 N/A LEU 79.A N GLU 99.A O no hydrogen 2.871 N/A TYR 80.A N LEU 58.A O no hydrogen 2.987 N/A TYR 80.A OH GLU 99.A OE1 no hydrogen 3.118 N/A ALA 81.A N GLU 101.A O no hydrogen 2.768 N/A ASN 82.A N ASP 61.A OD1 no hydrogen 2.296 N/A SER 83.A N SER 103.A O no hydrogen 2.665 N/A SER 83.A OG ASN 62.A OD1 no hydrogen 2.847 N/A SER 83.A OG SER 83.A O no hydrogen 2.571 N/A LEU 86.A N ASN 84.A O no hydrogen 2.936 N/A THR 92.A OG1 GLU 70.A OE2 no hydrogen 2.843 N/A THR 96.A OG1 ILE 76.A O no hydrogen 2.855 N/A ILE 97.A N PRO 94.A O no hydrogen 3.237 N/A GLN 98.A N LYS 77.A O no hydrogen 2.403 N/A GLU 99.A N LYS 77.A O no hydrogen 3.099 N/A MET 100.A N SER 120.A O no hydrogen 2.847 N/A GLU 101.A N LEU 79.A O no hydrogen 3.085 N/A LEU 102.A N ASP 122.A O no hydrogen 2.740 N/A SER 103.A N ASN 82.A OD1 no hydrogen 2.636 N/A ILE 104.A N PHE 124.A O no hydrogen 2.910 N/A ASN 105.A ND2 ASN 84.A O no hydrogen 2.902 N/A LEU 118.A N PRO 115.A O no hydrogen 3.379 N/A GLN 119.A N GLN 98.A O no hydrogen 2.629 N/A SER 120.A N GLN 98.A O no hydrogen 2.997 N/A LEU 121.A N TYR 141.A O no hydrogen 3.022 N/A ASP 122.A N MET 100.A O no hydrogen 2.851 N/A LEU 123.A N SER 143.A O no hydrogen 2.816 N/A HIS 125.A N TYR 145.A O no hydrogen 2.804 N/A HIS 125.A ND1 HIS 125.A O no hydrogen 2.719 N/A ASN 126.A N ASN 147.A OD1 no hydrogen 2.804 N/A ASN 126.A ND2 LEU 102.A O no hydrogen 3.348 N/A LYS 127.A N ILE 107.A O no hydrogen 2.976 N/A SER 129.A N THR 108.A O no hydrogen 3.327 N/A SER 129.A OG LYS 127.A O no hydrogen 3.444 N/A CYS 130.A SG LEU 131.A O no hydrogen 3.971 N/A LEU 139.A N PRO 136.A O no hydrogen 3.370 N/A ARG 140.A N GLN 119.A O no hydrogen 2.658 N/A TYR 141.A N GLN 119.A O no hydrogen 3.023 N/A LEU 142.A N HIS 162.A O no hydrogen 3.246 N/A SER 143.A N LEU 121.A O no hydrogen 3.351 N/A VAL 144.A N ASN 164.A O no hydrogen 2.987 N/A ASP 146.A N GLN 166.A O no hydrogen 3.417 N/A ILE 149.A N ASN 147.A O no hydrogen 2.807 N/A HIS 155.A ND1 ASN 134.A OD1 no hydrogen 2.932 N/A SER 158.A OG PRO 157.A O no hydrogen 2.487 N/A THR 161.A N ARG 140.A O no hydrogen 3.133 N/A THR 161.A OG1 ARG 140.A O no hydrogen 3.550 N/A LEU 163.A N THR 183.A O no hydrogen 2.956 N/A ASN 164.A N LEU 142.A O no hydrogen 2.865 N/A VAL 165.A N GLU 185.A O no hydrogen 2.875 N/A GLN 166.A N GLU 185.A O no hydrogen 2.854 N/A SER 167.A OG ASN 147.A O no hydrogen 2.672 N/A SER 167.A OG VAL 165.A O no hydrogen 3.000 N/A SER 167.A OG ASN 168.A O no hydrogen 3.215 N/A ASN 168.A N SER 167.A OG no hydrogen 2.289 N/A SER 169.A OG SER 169.A O no hydrogen 2.302 N/A THR 176.A OG1 ALA 154.A O no hydrogen 2.977 N/A LEU 181.A N PRO 178.A O no hydrogen 3.035 N/A LYS 182.A N THR 161.A O no hydrogen 3.387 N/A LYS 182.A NZ GLY 180.A O no hydrogen 3.257 N/A LEU 184.A N VAL 204.A O no hydrogen 2.669 N/A GLU 185.A N LEU 163.A O no hydrogen 3.076 N/A ALA 186.A N ASP 206.A O no hydrogen 2.824 N/A GLU 188.A N SER 208.A O no hydrogen 2.964 N/A ASN 189.A ND2 ALA 186.A O no hydrogen 3.579 N/A SER 197.A OG GLU 175.A O no hydrogen 3.506 N/A LEU 202.A N PRO 199.A O no hydrogen 3.150 N/A GLN 203.A N LYS 182.A O no hydrogen 2.876 N/A VAL 204.A N LYS 182.A O no hydrogen 2.755 N/A LEU 205.A N THR 225.A O no hydrogen 3.098 N/A ASP 206.A N LEU 184.A O no hydrogen 2.880 N/A VAL 207.A N ASP 227.A O no hydrogen 2.815 N/A SER 208.A OG ASP 206.A OD1 no hydrogen 3.215 N/A LYS 209.A N SER 229.A O no hydrogen 2.987 N/A ASN 210.A ND2 ALA 186.A O no hydrogen 3.532 N/A GLN 211.A N LEU 191.A O no hydrogen 2.875 N/A ILE 212.A N ASN 231.A OD1 no hydrogen 3.231 N/A THR 218.A OG1 ALA 196.A O no hydrogen 2.436 N/A THR 222.A OG1 PRO 200.A O no hydrogen 3.364 N/A THR 222.A OG1 LEU 202.A O no hydrogen 2.337 N/A ILE 223.A N PRO 220.A O no hydrogen 3.260 N/A THR 224.A N GLN 203.A O no hydrogen 2.784 N/A THR 224.A OG1 GLN 203.A O no hydrogen 3.243 N/A THR 225.A N GLN 203.A O no hydrogen 3.298 N/A LEU 226.A N ILE 246.A O no hydrogen 3.114 N/A ASP 227.A N LEU 205.A O no hydrogen 3.103 N/A VAL 228.A N GLN 248.A O no hydrogen 2.892 N/A SER 229.A N ASP 227.A OD1 no hydrogen 3.047 N/A SER 229.A OG SER 250.A O no hydrogen 3.565 N/A ARG 230.A N SER 250.A O no hydrogen 3.247 N/A ASN 231.A N ASN 252.A OD1 no hydrogen 3.000 N/A ASN 231.A ND2 VAL 207.A O no hydrogen 3.228 N/A ASN 231.A ND2 VAL 228.A O no hydrogen 2.951 N/A ASN 231.A ND2 SER 229.A O no hydrogen 2.366 N/A THR 234.A N THR 213.A O no hydrogen 3.001 N/A THR 234.A OG1 THR 213.A O no hydrogen 3.394 N/A ASN 239.A N GLU 217.A OE1 no hydrogen 3.218 N/A ASN 239.A ND2 GLU 217.A OE1 no hydrogen 3.379 N/A ALA 243.A N PRO 221.A O no hydrogen 2.928 N/A LEU 244.A N PRO 241.A O no hydrogen 3.260 N/A GLN 245.A N THR 224.A O no hydrogen 2.753 N/A ILE 246.A N THR 224.A O no hydrogen 2.995 N/A MET 247.A N ARG 273.A O no hydrogen 3.060 N/A GLN 248.A N LEU 226.A O no hydrogen 2.900 N/A ALA 249.A N ILE 275.A O no hydrogen 2.771 N/A SER 250.A OG GLN 248.A OE1 no hydrogen 2.873 N/A ARG 251.A N GLU 277.A O no hydrogen 3.123 N/A ASN 252.A N ASN 279.A OD1 no hydrogen 2.658 N/A ASN 252.A ND2 VAL 228.A O no hydrogen 3.340 N/A ASN 253.A N LEU 233.A O no hydrogen 3.029 N/A ARG 256.A NE GLU 463.A OE1 no hydrogen 3.318 N/A SER 260.A OG GLU 238.A OE1 no hydrogen 2.562 N/A PHE 264.A N PRO 262.A O no hydrogen 2.271 N/A THR 272.A OG1 LEU 244.A O no hydrogen 2.880 N/A ARG 273.A N GLN 245.A O no hydrogen 3.059 N/A ILE 274.A N ARG 302.A O no hydrogen 2.841 N/A ILE 275.A N MET 247.A O no hydrogen 2.898 N/A VAL 276.A N LEU 304.A O no hydrogen 2.911 N/A GLU 277.A N SER 250.A OG no hydrogen 3.210 N/A ASN 279.A ND2 ALA 249.A O no hydrogen 3.518 N/A SER 282.A N VAL 255.A O no hydrogen 2.894 N/A SER 282.A OG VAL 255.A O no hydrogen 3.464 N/A GLU 283.A N ASP 359.A OD2 no hydrogen 3.082 N/A ARG 284.A NH2 LEU 456.A O no hydrogen 2.828 N/A THR 285.A N SER 282.A O no hydrogen 2.997 N/A THR 285.A N SER 282.A OG no hydrogen 3.258 N/A THR 285.A OG1 SER 282.A OG no hydrogen 2.597 N/A ILE 286.A N SER 282.A O no hydrogen 3.142 N/A GLN 287.A N GLU 283.A O no hydrogen 3.088 N/A ASN 288.A N ARG 284.A O no hydrogen 3.106 N/A ASN 288.A ND2 ARG 284.A O no hydrogen 2.554 N/A MET 289.A N THR 285.A O no hydrogen 3.005 N/A GLN 290.A N ILE 286.A O no hydrogen 3.068 N/A ARG 291.A N GLN 287.A O no hydrogen 2.766 N/A LEU 292.A N ASN 288.A O no hydrogen 2.980 N/A MET 293.A N MET 289.A O no hydrogen 3.046 N/A SER 294.A N GLN 290.A O no hydrogen 2.854 N/A SER 294.A OG GLN 290.A O no hydrogen 2.700 N/A SER 295.A OG ARG 291.A O no hydrogen 3.438 N/A SER 295.A OG LEU 292.A O no hydrogen 2.731 N/A SER 295.A OG ASP 297.A OD1 no hydrogen 2.657 N/A TYR 298.A N SER 295.A O no hydrogen 3.321 N/A TYR 298.A OH PRO 301.A O no hydrogen 2.620 N/A ARG 302.A N THR 272.A O no hydrogen 2.759 N/A LEU 304.A N ILE 274.A O no hydrogen 2.773 N/A ARG 317.A NE ASP 355.A OD1 no hydrogen 3.409 N/A ARG 317.A NH2 ASP 355.A OD1 no hydrogen 3.393 N/A LEU 319.A N GLU 342.A OE2 no hydrogen 2.650 N/A GLN 321.A N PRO 318.A O no hydrogen 3.046 N/A ALA 322.A N PRO 318.A O no hydrogen 3.135 N/A VAL 323.A N LEU 319.A O no hydrogen 3.012 N/A GLN 324.A NE2 HIS 320.A O no hydrogen 3.337 N/A TRP 326.A N VAL 323.A O no hydrogen 2.956 N/A LEU 327.A N VAL 323.A O no hydrogen 3.262 N/A SER 329.A OG GLU 331.A OE1 no hydrogen 2.747 N/A ARG 339.A N VAL 335.A O no hydrogen 3.291 N/A ALA 340.A N ASN 336.A O no hydrogen 3.418 N/A PHE 341.A N GLN 337.A O no hydrogen 2.895 N/A GLU 342.A N ARG 339.A O no hydrogen 3.056 N/A SER 351.A N ALA 347.A O no hydrogen 3.001 N/A SER 351.A OG ARG 317.A O no hydrogen 2.930 N/A GLY 352.A N ALA 348.A O no hydrogen 3.074 N/A PHE 353.A N ALA 349.A O no hydrogen 3.068 N/A LEU 354.A N PHE 350.A O no hydrogen 3.097 N/A TYR 356.A N GLY 352.A O no hydrogen 3.142 N/A TYR 356.A OH GLU 283.A OE2 no hydrogen 2.718 N/A GLY 358.A N LEU 354.A O no hydrogen 3.070 N/A THR 360.A OG1 THR 363.A OG1 no hydrogen 2.380 N/A THR 360.A OG1 GLU 463.A OE2 no hydrogen 3.440 N/A GLN 361.A N GLU 463.A OE2 no hydrogen 2.788 N/A GLN 361.A NE2 ASN 235.A OD1 no hydrogen 2.794 N/A ASN 362.A N GLU 463.A OE2 no hydrogen 2.780 N/A ASN 362.A ND2 ASN 489.A OD1 no hydrogen 2.923 N/A THR 363.A N THR 360.A OG1 no hydrogen 3.110 N/A THR 363.A OG1 LEU 357.A O no hydrogen 2.826 N/A THR 363.A OG1 THR 360.A OG1 no hydrogen 2.380 N/A ARG 364.A N GLN 361.A O no hydrogen 3.349 N/A ARG 364.A NE THR 360.A O no hydrogen 2.983 N/A HIS 365.A N ASN 362.A O no hydrogen 3.458 N/A ASP 367.A N HIS 365.A ND1 no hydrogen 3.009 N/A LYS 369.A N HIS 365.A O no hydrogen 2.838 N/A LYS 369.A NZ TRP 326.A O no hydrogen 2.624 N/A GLU 370.A N PRO 366.A O no hydrogen 2.971 N/A VAL 372.A N PHE 368.A O no hydrogen 3.354 N/A SER 373.A N LYS 369.A O no hydrogen 3.062 N/A SER 373.A OG TRP 326.A O no hydrogen 2.868 N/A SER 373.A OG LYS 369.A O no hydrogen 2.639 N/A ALA 374.A N GLU 370.A O no hydrogen 3.082 N/A TRP 375.A N GLN 371.A O no hydrogen 2.917 N/A LEU 376.A N VAL 372.A O no hydrogen 2.893 N/A MET 377.A N SER 373.A O no hydrogen 3.185 N/A ARG 378.A N ALA 374.A O no hydrogen 3.158 N/A ARG 378.A NH1 ASP 382.A OD2 no hydrogen 2.716 N/A LEU 379.A N LEU 376.A O no hydrogen 3.144 N/A ALA 380.A N MET 377.A O no hydrogen 3.283 N/A ASP 382.A N ARG 378.A O no hydrogen 3.408 N/A ARG 386.A N ASP 382.A O no hydrogen 3.188 N/A ARG 386.A NE GLU 344.A OE2 no hydrogen 2.663 N/A ARG 386.A NH2 GLU 344.A OE2 no hydrogen 3.340 N/A VAL 389.A N LEU 385.A O no hydrogen 3.230 N/A ILE 392.A N THR 388.A O no hydrogen 3.276 N/A ALA 393.A N VAL 389.A O no hydrogen 2.947 N/A MET 394.A N PHE 390.A O no hydrogen 2.828 N/A ASN 395.A N ILE 391.A O no hydrogen 3.027 N/A THR 397.A N MET 394.A O no hydrogen 3.388 N/A SER 399.A N ASN 395.A O no hydrogen 3.068 N/A ALA 407.A N ARG 403.A O no hydrogen 3.416 N/A TYR 408.A N VAL 404.A O no hydrogen 2.997 N/A HIS 409.A N THR 405.A O no hydrogen 3.084 N/A GLN 410.A N LEU 406.A O no hydrogen 2.934 N/A MET 411.A N ALA 407.A O no hydrogen 3.400 N/A GLU 413.A N HIS 409.A O no hydrogen 2.890 N/A ALA 414.A N GLN 410.A O no hydrogen 2.847 N/A THR 415.A N GLN 412.A O no hydrogen 3.455 N/A THR 415.A OG1 MET 411.A O no hydrogen 3.507 N/A THR 415.A OG1 GLN 412.A O no hydrogen 3.439 N/A LEU 416.A N GLU 413.A O no hydrogen 3.211 N/A HIS 418.A N ALA 414.A O no hydrogen 3.208 N/A ASP 419.A N THR 415.A O no hydrogen 3.137 N/A ALA 420.A N LEU 416.A O no hydrogen 3.153 N/A ALA 420.A N VAL 417.A O no hydrogen 3.264 N/A GLU 421.A N VAL 417.A O no hydrogen 3.092 N/A ARG 422.A N HIS 418.A O no hydrogen 3.397 N/A ARG 422.A NH1 HIS 418.A O no hydrogen 2.976 N/A GLY 423.A N ASP 419.A O no hydrogen 3.181 N/A ALA 424.A N ASP 419.A O no hydrogen 2.725 N/A GLU 431.A N HIS 428.A O no hydrogen 2.850 N/A LEU 432.A N HIS 428.A O no hydrogen 2.994 N/A ILE 433.A N LEU 429.A O no hydrogen 3.172 N/A GLY 436.A N LEU 432.A O no hydrogen 2.709 N/A ARG 437.A N ILE 433.A O no hydrogen 2.843 N/A ARG 437.A NH1 GLU 509.A OE2 no hydrogen 3.099 N/A ARG 437.A NH2 LEU 594.A O no hydrogen 2.550 N/A ARG 437.A NH2 SER 596.A O no hydrogen 3.455 N/A GLU 438.A N MET 434.A O no hydrogen 3.317 N/A ILE 439.A N ALA 435.A O no hydrogen 3.385 N/A PHE 440.A N GLY 436.A O no hydrogen 3.148 N/A ARG 441.A N ARG 437.A O no hydrogen 3.069 N/A ARG 441.A NE GLU 509.A OE1 no hydrogen 3.093 N/A ARG 441.A NH2 GLU 509.A OE2 no hydrogen 3.437 N/A ARG 441.A NH2 TYR 598.A OH no hydrogen 3.255 N/A LEU 442.A N GLU 438.A O no hydrogen 3.044 N/A GLU 443.A N ILE 439.A O no hydrogen 3.133 N/A GLN 444.A N PHE 440.A O no hydrogen 3.285 N/A ILE 445.A N ARG 441.A O no hydrogen 2.951 N/A GLU 446.A N LEU 442.A O no hydrogen 2.866 N/A SER 447.A N GLU 443.A O no hydrogen 3.135 N/A SER 447.A OG GLU 443.A O no hydrogen 3.540 N/A SER 447.A OG GLN 444.A O no hydrogen 2.571 N/A LEU 448.A N GLN 444.A O no hydrogen 3.145 N/A ALA 449.A N ILE 445.A O no hydrogen 2.869 N/A ARG 450.A N GLU 446.A O no hydrogen 3.246 N/A ARG 450.A NH2 GLU 446.A OE2 no hydrogen 3.081 N/A LYS 452.A N LEU 448.A O no hydrogen 3.151 N/A LYS 452.A NZ GLY 492.A O no hydrogen 3.133 N/A LYS 452.A NZ ASP 497.A OD2 no hydrogen 3.322 N/A VAL 453.A N ALA 449.A O no hydrogen 3.140 N/A ARG 455.A N LYS 452.A O no hydrogen 3.397 N/A LEU 456.A N VAL 453.A O no hydrogen 3.158 N/A PHE 457.A N GLU 259.A OE1 no hydrogen 2.468 N/A PHE 458.A N GLU 259.A OE2 no hydrogen 2.484 N/A ILE 459.A N GLU 259.A OE2 no hydrogen 2.761 N/A VAL 462.A N ASP 460.A OD2 no hydrogen 2.741 N/A VAL 464.A N ASP 460.A O no hydrogen 3.388 N/A PHE 465.A N GLU 461.A O no hydrogen 3.146 N/A LEU 466.A N VAL 462.A O no hydrogen 2.730 N/A GLY 467.A N GLU 463.A O no hydrogen 2.818 N/A PHE 468.A N VAL 464.A O no hydrogen 2.997 N/A GLN 469.A N PHE 465.A O no hydrogen 2.918 N/A ASN 470.A N LEU 466.A O no hydrogen 3.035 N/A ASN 470.A ND2 MET 485.A O no hydrogen 2.521 N/A GLN 471.A N GLY 467.A O no hydrogen 2.734 N/A LEU 472.A N PHE 468.A O no hydrogen 3.165 N/A ARG 473.A N ASN 470.A O no hydrogen 3.473 N/A LEU 476.A N LEU 472.A O no hydrogen 3.121 N/A LEU 478.A N ARG 473.A O no hydrogen 2.799 N/A THR 479.A OG1 GLU 438.A OE2 no hydrogen 3.479 N/A THR 480.A OG1 GLU 438.A OE2 no hydrogen 3.538 N/A THR 482.A OG1 MET 481.A O no hydrogen 2.673 N/A ILE 493.A N VAL 490.A O no hydrogen 3.315 N/A THR 494.A N ASP 497.A OD2 no hydrogen 2.760 N/A THR 494.A OG1 ASP 497.A OD2 no hydrogen 2.857 N/A ASP 499.A N GLU 495.A O no hydrogen 3.229 N/A GLU 500.A N SER 496.A O no hydrogen 3.150 N/A ALA 501.A N ASP 497.A O no hydrogen 2.844 N/A GLU 502.A N LEU 498.A O no hydrogen 3.058 N/A ARG 504.A N GLU 500.A O no hydrogen 3.122 N/A ILE 505.A N ALA 501.A O no hydrogen 3.326 N/A LYS 506.A N GLU 502.A O no hydrogen 3.299 N/A LYS 506.A NZ GLU 502.A OE2 no hydrogen 2.914 N/A MET 507.A N ILE 503.A O no hydrogen 3.183 N/A ALA 508.A N ARG 504.A O no hydrogen 3.001 N/A GLU 509.A N LYS 506.A O no hydrogen 3.172 N/A ASN 510.A N LYS 506.A O no hydrogen 3.281 N/A HIS 514.A NE2 GLU 583.A OE2 no hydrogen 3.187 N/A LYS 515.A NZ GLN 575.A OE1 no hydrogen 3.422 N/A TRP 516.A N ASP 512.A O no hydrogen 2.785 N/A PHE 517.A N PHE 513.A O no hydrogen 2.873 N/A LEU 519.A N LYS 515.A O no hydrogen 3.247 N/A TRP 520.A N TRP 516.A O no hydrogen 2.978 N/A TRP 520.A NE1 GLU 413.A OE2 no hydrogen 2.685 N/A HIS 524.A NE2 ALA 518.A O no hydrogen 2.513 N/A LYS 525.A NZ GLU 528.A OE2 no hydrogen 3.204 N/A VAL 526.A N TRP 523.A O no hydrogen 2.762 N/A LEU 527.A N TRP 523.A O no hydrogen 3.069 N/A GLU 528.A N HIS 524.A O no hydrogen 3.074 N/A ARG 529.A N VAL 526.A O no hydrogen 2.808 N/A ARG 529.A NH1 ASP 426.A OD1 no hydrogen 3.041 N/A ILE 530.A N VAL 526.A O no hydrogen 2.582 N/A ALA 531.A N LEU 527.A O no hydrogen 3.043 N/A GLU 534.A N GLU 534.A OE1 no hydrogen 2.628 N/A TRP 535.A N ALA 531.A O no hydrogen 3.386 N/A ARG 536.A N PRO 532.A O no hydrogen 3.177 N/A ARG 536.A N GLU 533.A O no hydrogen 3.248 N/A GLU 537.A N GLU 533.A O no hydrogen 3.186 N/A MET 538.A N GLU 534.A O no hydrogen 3.095 N/A MET 539.A N TRP 535.A O no hydrogen 3.443 N/A ALA 540.A N ARG 536.A O no hydrogen 3.138 N/A LYS 541.A N MET 538.A O no hydrogen 2.894 N/A CYS 545.A SG LYS 541.A O no hydrogen 3.249 N/A THR 548.A OG1 THR 548.A O no hydrogen 2.363 N/A GLU 550.A N GLU 550.A OE1 no hydrogen 2.719 N/A GLN 552.A N GLN 552.A OE1 no hydrogen 2.630 N/A ARG 554.A N GLU 550.A O no hydrogen 3.262 N/A VAL 555.A N TYR 551.A O no hydrogen 3.268 N/A VAL 555.A N GLN 552.A O no hydrogen 3.227 N/A ASN 556.A N GLN 552.A O no hydrogen 2.760 N/A ALA 557.A N SER 553.A O no hydrogen 3.161 N/A LEU 559.A N VAL 555.A O no hydrogen 2.693 N/A LEU 562.A N LEU 559.A O no hydrogen 3.176 N/A ARG 563.A N LEU 559.A O no hydrogen 2.926 N/A ILE 569.A N ILE 565.A O no hydrogen 3.223 N/A ILE 569.A N GLY 566.A O no hydrogen 3.215 N/A MET 570.A N GLY 566.A O no hydrogen 2.835 N/A GLU 571.A N ILE 567.A O no hydrogen 3.041 N/A GLU 572.A N ILE 569.A O no hydrogen 3.055 N/A ILE 573.A N ILE 569.A O no hydrogen 3.292 N/A ILE 573.A N MET 570.A O no hydrogen 3.273 N/A ASN 574.A N MET 570.A O no hydrogen 3.019 N/A GLN 575.A N GLU 571.A O no hydrogen 3.299 N/A THR 576.A OG1 ILE 573.A O no hydrogen 2.396 N/A LEU 577.A N ILE 573.A O no hydrogen 3.042 N/A PHE 578.A N ASN 574.A O no hydrogen 2.845 N/A THR 579.A N GLN 575.A O no hydrogen 3.246 N/A THR 579.A OG1 GLN 575.A O no hydrogen 2.620 N/A GLU 580.A N THR 576.A O no hydrogen 3.232 N/A ILE 581.A N LEU 577.A O no hydrogen 3.029 N/A MET 582.A N PHE 578.A O no hydrogen 3.241 N/A GLU 583.A N THR 579.A O no hydrogen 3.303 N/A ASN 584.A N ILE 581.A O no hydrogen 3.306 N/A ILE 585.A N ILE 581.A O no hydrogen 3.460 N/A LEU 586.A N MET 582.A O no hydrogen 2.943 N/A LEU 587.A N GLU 583.A O no hydrogen 3.140 N/A LYS 588.A N ASN 584.A O no hydrogen 3.173 N/A LYS 588.A N ILE 585.A O no hydrogen 3.053 N/A LYS 589.A N ILE 585.A O no hydrogen 3.383 N/A GLU 590.A N GLU 590.A OE1 no hydrogen 2.648 N/A LEU 594.A N VAL 591.A O no hydrogen 3.096 N/A TRP 599.A N ALA 597.A O no hydrogen 2.546 N/A TRP 599.A NE1 GLU 509.A OE1 no hydrogen 2.507 N/A