Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8q3r_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 6.A N ASP 4.A OD1 no hydrogen 3.259 N/A ARG 8.A N ARG 27.A O no hydrogen 2.565 N/A ARG 8.A NH1 PHE 160.A O no hydrogen 3.490 N/A ARG 8.A NH2 ASP 478.A OD2 no hydrogen 2.653 N/A CYS 9.A SG PRO 125.A O no hydrogen 3.299 N/A CYS 9.A SG GLY 127.A O no hydrogen 3.845 N/A ILE 10.A N LYS 25.A O no hydrogen 3.186 N/A ASN 11.A N LYS 25.A O no hydrogen 3.227 N/A ASN 11.A ND2 GLY 323.A O no hydrogen 3.117 N/A TRP 12.A NE1 PRO 125.A O no hydrogen 3.141 N/A SER 15.A N PHE 21.A O no hydrogen 3.001 N/A SER 15.A OG PHE 21.A O no hydrogen 2.444 N/A HIS 16.A N GLU 297.A OE1 no hydrogen 3.083 N/A ARG 20.A NH1 GLU 14.A OE2 no hydrogen 3.131 N/A PHE 21.A N SER 15.A OG no hydrogen 2.777 N/A LEU 22.A N PHE 38.A O no hydrogen 2.418 N/A LEU 24.A N ILE 36.A O no hydrogen 2.851 N/A LYS 25.A N ASN 11.A O no hydrogen 2.859 N/A LYS 25.A NZ ASP 261.A OD1 no hydrogen 3.144 N/A LYS 25.A NZ GLY 323.A O no hydrogen 2.951 N/A SER 26.A N VAL 34.A O no hydrogen 2.890 N/A ARG 27.A N ARG 8.A O no hydrogen 2.637 N/A ARG 27.A NH1 ASP 261.A OD2 no hydrogen 2.324 N/A CYS 28.A N GLU 32.A O no hydrogen 2.980 N/A CYS 28.A SG ASP 4.A O no hydrogen 3.482 N/A ASN 30.A N ASN 30.A OD1 no hydrogen 2.306 N/A VAL 34.A N SER 26.A O no hydrogen 2.926 N/A PHE 35.A N GLY 142.A O no hydrogen 2.582 N/A ILE 36.A N LEU 24.A O no hydrogen 3.056 N/A ARG 37.A N TYR 144.A O no hydrogen 2.768 N/A ARG 37.A NE HIS 145.A ND1 no hydrogen 3.368 N/A ARG 37.A NH2 HIS 145.A ND1 no hydrogen 2.941 N/A PHE 38.A N LEU 22.A O no hydrogen 2.342 N/A PHE 42.A N GLU 97.A O no hydrogen 2.432 N/A TYR 43.A N ASN 113.A OD1 no hydrogen 2.848 N/A TYR 44.A N ILE 95.A O no hydrogen 3.419 N/A VAL 46.A N TRP 93.A O no hydrogen 3.238 N/A ASP 48.A N ASP 91.A O no hydrogen 2.846 N/A TYR 51.A N THR 47.A O no hydrogen 3.002 N/A GLN 52.A N ASP 48.A O no hydrogen 2.882 N/A SER 53.A N ILE 50.A O no hydrogen 3.001 N/A SER 53.A OG GLU 49.A O no hydrogen 3.266 N/A SER 53.A OG ILE 50.A O no hydrogen 2.677 N/A PHE 59.A N GLU 97.A OE1 no hydrogen 2.350 N/A ASN 60.A N GLU 96.A O no hydrogen 2.988 N/A ASN 60.A ND2 GLU 96.A OE1 no hydrogen 2.266 N/A ARG 62.A N LEU 94.A O no hydrogen 2.345 N/A ARG 62.A NE GLU 96.A OE2 no hydrogen 3.446 N/A LEU 64.A N MET 92.A O no hydrogen 2.997 N/A MET 67.A N ALA 90.A O no hydrogen 2.515 N/A THR 69.A N SER 88.A O no hydrogen 2.361 N/A THR 69.A OG1 SER 88.A O no hydrogen 3.129 N/A ILE 70.A N ILE 514.A O no hydrogen 3.220 N/A ASP 71.A N LYS 86.A O no hydrogen 3.108 N/A ASP 73.A N ASP 71.A OD1 no hydrogen 2.471 N/A SER 77.A N VAL 569.A O no hydrogen 2.841 N/A ARG 85.A NE LEU 566.A O no hydrogen 3.154 N/A ARG 85.A NH1 ASP 71.A O no hydrogen 3.048 N/A ARG 85.A NH1 ASP 73.A O no hydrogen 3.024 N/A ARG 85.A NH2 ASP 73.A O no hydrogen 2.839 N/A ARG 85.A NH2 LEU 566.A O no hydrogen 3.035 N/A SER 88.A N THR 69.A O no hydrogen 2.906 N/A ALA 90.A N MET 67.A O no hydrogen 3.237 N/A MET 92.A N GLY 65.A O no hydrogen 3.212 N/A TRP 93.A N VAL 46.A O no hydrogen 3.042 N/A LEU 94.A N ARG 62.A O no hydrogen 2.367 N/A ILE 95.A N TYR 44.A O no hydrogen 2.804 N/A GLU 96.A N ASN 60.A O no hydrogen 2.317 N/A GLU 97.A N PHE 42.A O no hydrogen 2.858 N/A ARG 101.A N LYS 99.A O no hydrogen 2.527 N/A ARG 101.A NH1 PRO 56.A O no hydrogen 2.546 N/A ARG 101.A NH1 GLU 97.A OE2 no hydrogen 3.178 N/A ARG 101.A NH2 PRO 56.A O no hydrogen 2.408 N/A SER 102.A N LYS 100.A O no hydrogen 2.591 N/A THR 107.A N VAL 45.A O no hydrogen 2.822 N/A SER 115.A OG LEU 112.A O no hydrogen 3.328 N/A TRP 116.A N LEU 112.A O no hydrogen 3.439 N/A PHE 117.A N ASN 113.A O no hydrogen 2.891 N/A TYR 118.A N ILE 114.A O no hydrogen 2.931 N/A ILE 119.A N SER 115.A O no hydrogen 2.977 N/A SER 120.A N TRP 116.A O no hydrogen 2.786 N/A SER 120.A OG GLU 96.A OE2 no hydrogen 3.512 N/A ASN 121.A N PHE 117.A O no hydrogen 2.969 N/A GLY 122.A N ILE 119.A O no hydrogen 3.244 N/A ILE 123.A N TYR 118.A O no hydrogen 3.066 N/A SER 124.A N TYR 129.A OH no hydrogen 3.340 N/A SER 124.A OG TYR 129.A OH no hydrogen 2.356 N/A GLY 127.A N SER 124.A O no hydrogen 3.368 N/A CYS 128.A SG ASP 126.A O no hydrogen 3.905 N/A TYR 129.A OH SER 124.A OG no hydrogen 2.356 N/A SER 130.A N LYS 155.A O no hydrogen 2.439 N/A SER 130.A OG ASP 6.A OD1 no hydrogen 3.389 N/A SER 130.A OG LYS 155.A O no hydrogen 3.504 N/A LEU 131.A N PRO 5.A O no hydrogen 3.135 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.586 N/A GLN 134.A N ASP 132.A OD1 no hydrogen 2.928 N/A LEU 136.A N GLU 133.A O no hydrogen 2.725 N/A THR 137.A N HIS 145.A O no hydrogen 2.821 N/A ILE 139.A N CYS 143.A O no hydrogen 3.055 N/A ASN 140.A N CYS 143.A O no hydrogen 3.005 N/A CYS 143.A N ASN 140.A O no hydrogen 3.280 N/A HIS 145.A N THR 137.A O no hydrogen 2.290 N/A CYS 146.A N ARG 37.A O no hydrogen 3.157 N/A CYS 146.A SG TYR 135.A O no hydrogen 3.915 N/A ARG 150.A NE SER 120.A O no hydrogen 3.056 N/A ARG 150.A NH2 GLU 96.A OE2 no hydrogen 2.364 N/A ARG 150.A NH2 SER 120.A OG no hydrogen 2.245 N/A ASN 151.A N ASP 148.A OD1 no hydrogen 2.552 N/A ASN 151.A ND2 ASP 148.A OD1 no hydrogen 2.716 N/A ASN 151.A ND2 ASP 148.A OD2 no hydrogen 3.237 N/A CYS 152.A N ASP 148.A O no hydrogen 2.901 N/A PHE 153.A N PRO 149.A O no hydrogen 2.861 N/A ILE 157.A N CYS 128.A O no hydrogen 2.797 N/A SER 165.A N ASP 261.A OD2 no hydrogen 2.851 N/A TYR 166.A OH GLU 474.A OE1 no hydrogen 2.449 N/A TYR 166.A OH GLU 474.A OE2 no hydrogen 2.643 N/A LEU 167.A N TYR 262.A O no hydrogen 3.354 N/A ASP 170.A N SER 191.A O no hydrogen 3.147 N/A GLU 172.A N HIS 189.A O no hydrogen 2.589 N/A HIS 174.A N PRO 186.A O no hydrogen 2.666 N/A LYS 177.A N ASP 176.A OD1 no hydrogen 2.361 N/A LYS 178.A N ASP 176.A OD1 no hydrogen 2.944 N/A SER 181.A N ASN 185.A OD1 no hydrogen 2.405 N/A PHE 183.A N SER 181.A OG no hydrogen 3.130 N/A ILE 184.A N SER 181.A O no hydrogen 3.356 N/A ASN 185.A N SER 181.A O no hydrogen 2.683 N/A ASN 185.A ND2 HIS 174.A O no hydrogen 3.660 N/A ASN 185.A ND2 ASP 176.A OD2 no hydrogen 2.680 N/A ILE 187.A N GLU 245.A OE2 no hydrogen 3.041 N/A SER 188.A N GLU 172.A O no hydrogen 2.643 N/A SER 188.A OG TYR 442.A OH no hydrogen 2.961 N/A HIS 189.A N GLU 172.A O no hydrogen 2.979 N/A THR 190.A N LEU 206.A O no hydrogen 3.074 N/A SER 191.A N ASP 170.A O no hydrogen 3.110 N/A SER 191.A OG ASP 170.A O no hydrogen 3.095 N/A SER 191.A OG CYS 457.A O no hydrogen 2.691 N/A TYR 192.A N PHE 204.A O no hydrogen 3.244 N/A CYS 193.A N PHE 168.A O no hydrogen 3.513 N/A CYS 193.A SG GLN 465.A OE1 no hydrogen 3.693 N/A TYR 194.A OH ASP 196.A OD2 no hydrogen 2.374 N/A LEU 197.A N ASP 196.A OD1 no hydrogen 2.470 N/A GLY 199.A N ASP 196.A O no hydrogen 3.158 N/A LYS 200.A N SER 198.A OG no hydrogen 3.001 N/A LEU 202.A N LYS 200.A O no hydrogen 2.686 N/A THR 205.A N GLU 239.A O no hydrogen 2.539 N/A ASN 208.A N SER 188.A O no hydrogen 3.372 N/A ASN 208.A ND2 ILE 187.A O no hydrogen 3.132 N/A GLU 209.A N CYS 243.A O no hydrogen 2.774 N/A GLU 210.A N ASN 208.A OD1 no hydrogen 2.805 N/A LEU 212.A N GLU 209.A O no hydrogen 2.743 N/A THR 213.A N GLU 216.A OE1 no hydrogen 3.267 N/A THR 213.A OG1 GLU 216.A OE1 no hydrogen 2.818 N/A ILE 217.A N THR 213.A O no hydrogen 2.618 N/A GLN 218.A N GLU 214.A O no hydrogen 2.894 N/A GLN 218.A NE2 ASP 222.A OD2 no hydrogen 2.456 N/A GLU 219.A N GLN 215.A O no hydrogen 2.895 N/A ALA 220.A N GLU 216.A O no hydrogen 2.895 N/A VAL 221.A N ILE 217.A O no hydrogen 2.902 N/A ASP 222.A N GLN 218.A O no hydrogen 2.909 N/A ARG 223.A N ALA 220.A O no hydrogen 2.932 N/A ARG 223.A NH2 ASN 448.A OD1 no hydrogen 3.230 N/A CYS 225.A N ALA 220.A O no hydrogen 2.971 N/A CYS 225.A SG ALA 220.A O no hydrogen 3.281 N/A LEU 226.A N LEU 240.A O no hydrogen 3.253 N/A ILE 228.A N LEU 242.A O no hydrogen 3.014 N/A GLN 229.A N GLU 233.A OE1 no hydrogen 2.482 N/A MET 232.A N SER 230.A OG no hydrogen 2.932 N/A GLU 233.A N SER 230.A OG no hydrogen 3.220 N/A GLU 237.A N ASP 235.A OD1 no hydrogen 3.515 N/A LEU 242.A N LEU 226.A O no hydrogen 2.738 N/A CYS 243.A N ILE 207.A O no hydrogen 3.530 N/A CYS 243.A SG SER 244.A O no hydrogen 3.151 N/A LEU 248.A N SER 244.A O no hydrogen 2.818 N/A LEU 249.A N GLU 245.A O no hydrogen 2.938 N/A ARG 250.A N ILE 246.A O no hydrogen 2.926 N/A ARG 250.A NH1 GLU 286.A OE2 no hydrogen 2.787 N/A ILE 251.A N VAL 247.A O no hydrogen 2.951 N/A ALA 252.A N LEU 248.A O no hydrogen 2.900 N/A LYS 253.A N LEU 249.A O no hydrogen 2.901 N/A GLN 254.A N ARG 250.A O no hydrogen 2.962 N/A LEU 255.A N ILE 251.A O no hydrogen 2.901 N/A LEU 255.A N ALA 252.A O no hydrogen 2.929 N/A LEU 256.A N ALA 252.A O no hydrogen 2.892 N/A GLU 257.A N LYS 253.A O no hydrogen 3.351 N/A LEU 258.A N LEU 255.A O no hydrogen 2.684 N/A PHE 260.A N LEU 258.A O no hydrogen 2.439 N/A HIS 269.A NE2 PHE 327.A O no hydrogen 2.214 N/A ASN 270.A N ASN 267.A O no hydrogen 3.256 N/A PHE 271.A N ASN 267.A O no hydrogen 3.401 N/A LEU 273.A N GLY 268.A O no hydrogen 2.852 N/A TYR 275.A N PHE 271.A O no hydrogen 2.962 N/A TYR 275.A OH ASN 185.A O no hydrogen 2.262 N/A ILE 276.A N ASP 272.A O no hydrogen 2.905 N/A THR 277.A N LEU 273.A O no hydrogen 2.974 N/A THR 277.A OG1 LEU 273.A O no hydrogen 2.547 N/A ASN 278.A N ARG 274.A O no hydrogen 2.860 N/A ARG 279.A N TYR 275.A O no hydrogen 2.915 N/A ARG 279.A NH2 GLU 245.A OE1 no hydrogen 3.561 N/A LEU 280.A N ILE 276.A O no hydrogen 2.896 N/A GLU 281.A N THR 277.A O no hydrogen 2.996 N/A LEU 282.A N ASN 278.A O no hydrogen 2.874 N/A LEU 283.A N ARG 279.A O no hydrogen 3.009 N/A THR 284.A N LEU 280.A O no hydrogen 2.816 N/A THR 284.A OG1 LEU 280.A O no hydrogen 2.457 N/A THR 284.A OG1 GLU 286.A OE1 no hydrogen 3.174 N/A SER 292.A OG ASP 294.A OD1 no hydrogen 2.276 N/A LYS 295.A N SER 292.A O no hydrogen 3.005 N/A LYS 296.A N SER 292.A OG no hydrogen 3.281 N/A TYR 304.A N HIS 317.A O no hydrogen 3.310 N/A ARG 306.A N THR 315.A O no hydrogen 2.920 N/A ARG 306.A NH1 GLU 493.A OE2 no hydrogen 3.286 N/A SER 310.A OG SER 309.A O no hydrogen 2.650 N/A THR 314.A OG1 ASN 307.A OD1 no hydrogen 3.455 N/A THR 315.A N ARG 306.A O no hydrogen 3.371 N/A THR 315.A OG1 ARG 306.A O no hydrogen 2.934 N/A THR 315.A OG1 HIS 317.A NE2 no hydrogen 2.653 N/A HIS 317.A N TYR 304.A O no hydrogen 2.910 N/A ASN 320.A ND2 THR 324.A O no hydrogen 3.307 N/A THR 324.A N ASN 322.A OD1 no hydrogen 2.540 N/A THR 324.A OG1 PHE 260.A O no hydrogen 2.338 N/A THR 324.A OG1 ASN 322.A OD1 no hydrogen 3.234 N/A PHE 327.A N VAL 263.A O no hydrogen 2.905 N/A LEU 329.A N THR 265.A O no hydrogen 2.685 N/A SER 331.A N ASP 328.A OD1 no hydrogen 3.284 N/A ILE 333.A N LEU 329.A O no hydrogen 2.933 N/A GLN 334.A N TYR 330.A O no hydrogen 2.941 N/A LYS 335.A N SER 331.A O no hydrogen 2.896 N/A LYS 335.A NZ PHE 492.A O no hydrogen 2.297 N/A LYS 335.A NZ GLU 493.A O no hydrogen 3.446 N/A SER 336.A N PHE 332.A O no hydrogen 2.957 N/A SER 336.A OG GLU 337.A OE2 no hydrogen 2.825 N/A LEU 339.A N TYR 342.A OH no hydrogen 2.654 N/A TYR 342.A OH GLU 337.A O no hydrogen 2.524 N/A LYS 343.A N SER 341.A OG no hydrogen 2.885 N/A ILE 347.A N LYS 343.A O no hydrogen 3.154 N/A SER 348.A N LEU 344.A O no hydrogen 2.932 N/A LYS 349.A N ASP 345.A O no hydrogen 2.900 N/A LYS 349.A NZ GLU 397.A OE2 no hydrogen 2.463 N/A ASN 350.A N SER 346.A O no hydrogen 2.988 N/A ALA 351.A N SER 348.A O no hydrogen 3.168 N/A PHE 352.A N SER 348.A O no hydrogen 3.179 N/A CYS 354.A SG MET 355.A O no hydrogen 3.840 N/A GLY 356.A N TYR 427.A O no hydrogen 2.477 N/A LEU 359.A N THR 367.A O no hydrogen 3.303 N/A ASN 360.A N THR 367.A O no hydrogen 3.075 N/A GLY 362.A N THR 421.A OG1 no hydrogen 2.894 N/A MET 366.A N LEU 417.A O no hydrogen 2.900 N/A PHE 368.A N VAL 415.A O no hydrogen 2.621 N/A GLY 370.A N PHE 413.A O no hydrogen 2.949 N/A ASP 371.A N THR 374.A OG1 no hydrogen 2.421 N/A THR 373.A OG1 ASP 371.A OD1 no hydrogen 3.182 N/A THR 373.A OG1 ASP 371.A OD2 no hydrogen 2.282 N/A THR 374.A N ASP 371.A O no hydrogen 3.061 N/A THR 374.A OG1 ASP 371.A O no hydrogen 3.155 N/A THR 374.A OG1 ASP 371.A OD1 no hydrogen 2.292 N/A ALA 382.A N GLY 378.A O no hydrogen 3.483 N/A PHE 383.A N LYS 379.A O no hydrogen 2.942 N/A ALA 384.A N ALA 380.A O no hydrogen 2.859 N/A LYS 385.A N ALA 381.A O no hydrogen 2.937 N/A VAL 386.A N ALA 382.A O no hydrogen 2.941 N/A LEU 387.A N ALA 384.A O no hydrogen 3.184 N/A THR 388.A OG1 LYS 385.A O no hydrogen 2.904 N/A THR 388.A OG1 TYR 466.A OH no hydrogen 2.944 N/A THR 389.A OG1 HIS 459.A ND1 no hydrogen 3.101 N/A VAL 393.A N CYS 401.A O no hydrogen 2.481 N/A THR 394.A N SER 430.A O no hydrogen 2.281 N/A THR 394.A OG1 SER 430.A O no hydrogen 3.190 N/A VAL 395.A N ILE 399.A O no hydrogen 2.340 N/A ASP 396.A N LYS 428.A O no hydrogen 2.809 N/A ASP 398.A N VAL 395.A O no hydrogen 3.076 N/A ILE 399.A N VAL 395.A O no hydrogen 2.559 N/A CYS 401.A N VAL 393.A O no hydrogen 2.622 N/A CYS 401.A SG VAL 393.A O no hydrogen 3.425 N/A VAL 403.A N ASN 391.A O no hydrogen 2.248 N/A ILE 404.A N VAL 416.A O no hydrogen 2.616 N/A ARG 405.A N VAL 416.A O no hydrogen 3.224 N/A LYS 406.A NZ THR 388.A O no hydrogen 3.160 N/A LYS 406.A NZ GLY 390.A O no hydrogen 2.377 N/A ASP 407.A N LYS 414.A O no hydrogen 2.357 N/A TRP 409.A N GLY 412.A O no hydrogen 3.399 N/A PHE 413.A N GLY 370.A O no hydrogen 3.175 N/A LYS 414.A N ASP 407.A O no hydrogen 2.301 N/A VAL 415.A N PHE 368.A O no hydrogen 2.673 N/A VAL 416.A N ARG 405.A O no hydrogen 2.529 N/A LEU 417.A N MET 366.A O no hydrogen 2.767 N/A LEU 418.A N LYS 402.A O no hydrogen 3.082 N/A CYS 419.A SG LEU 417.A O no hydrogen 3.902 N/A THR 426.A N ASN 424.A OD1 no hydrogen 3.239 N/A THR 426.A OG1 GLY 356.A O no hydrogen 2.181 N/A THR 426.A OG1 TYR 427.A O no hydrogen 3.464 N/A TYR 427.A N GLY 356.A O no hydrogen 3.387 N/A TYR 427.A OH LEU 422.A O no hydrogen 3.364 N/A LEU 429.A N CYS 354.A O no hydrogen 3.063 N/A SER 430.A OG THR 394.A O no hydrogen 3.231 N/A SER 430.A OG GLU 397.A OE1 no hydrogen 2.317 N/A SER 430.A OG GLU 397.A OE2 no hydrogen 3.033 N/A GLY 432.A N THR 394.A OG1 no hydrogen 2.583 N/A VAL 436.A N ASP 434.A OD2 no hydrogen 3.290 N/A GLN 440.A N ASP 437.A OD1 no hydrogen 2.414 N/A MET 441.A N ASP 437.A O no hydrogen 3.000 N/A TYR 442.A N LEU 438.A O no hydrogen 2.837 N/A TYR 442.A OH SER 188.A OG no hydrogen 2.961 N/A LYS 443.A N ALA 439.A O no hydrogen 2.898 N/A ASP 444.A N GLN 440.A O no hydrogen 3.096 N/A TYR 445.A N TYR 442.A O no hydrogen 3.172 N/A ASN 446.A ND2 ASP 444.A O no hydrogen 2.456 N/A ILE 449.A N ASN 446.A OD1 no hydrogen 2.958 N/A ALA 450.A N ASN 446.A O no hydrogen 3.332 N/A LEU 451.A N LEU 447.A O no hydrogen 2.934 N/A ASP 452.A N ASN 448.A O no hydrogen 2.967 N/A MET 453.A N ILE 449.A O no hydrogen 2.866 N/A ALA 454.A N ALA 450.A O no hydrogen 2.869 N/A ARG 455.A N LEU 451.A O no hydrogen 2.980 N/A TYR 456.A N ASP 452.A O no hydrogen 2.899 N/A CYS 457.A N MET 453.A O no hydrogen 2.875 N/A CYS 457.A SG HIS 189.A O no hydrogen 3.954 N/A ILE 458.A N ALA 454.A O no hydrogen 2.911 N/A HIS 459.A N ARG 455.A O no hydrogen 2.937 N/A HIS 459.A ND1 THR 389.A OG1 no hydrogen 3.101 N/A ASP 460.A N TYR 456.A O no hydrogen 2.917 N/A ALA 461.A N CYS 457.A O no hydrogen 2.910 N/A ALA 461.A N ILE 458.A O no hydrogen 3.339 N/A CYS 462.A N ILE 458.A O no hydrogen 2.879 N/A CYS 462.A SG ILE 458.A O no hydrogen 3.186 N/A LEU 463.A N HIS 459.A O no hydrogen 2.966 N/A TYR 466.A N CYS 462.A O no hydrogen 3.515 N/A TYR 466.A OH THR 388.A OG1 no hydrogen 2.944 N/A LEU 467.A N LEU 463.A O no hydrogen 2.900 N/A TRP 468.A N CYS 464.A O no hydrogen 2.850 N/A GLU 469.A N GLN 465.A O no hydrogen 3.011 N/A GLU 469.A N TYR 466.A O no hydrogen 3.266 N/A TYR 470.A N TYR 466.A O no hydrogen 2.868 N/A TYR 471.A N LEU 467.A O no hydrogen 2.918 N/A THR 475.A OG1 GLY 472.A O no hydrogen 2.288 N/A THR 475.A OG1 SER 653.A OG no hydrogen 3.077 N/A LYS 476.A N GLY 472.A O no hydrogen 2.762 N/A THR 477.A N VAL 473.A O no hydrogen 2.848 N/A THR 477.A OG1 VAL 473.A O no hydrogen 2.703 N/A ASP 478.A N GLU 474.A O no hydrogen 2.931 N/A ALA 479.A N THR 475.A O no hydrogen 2.868 N/A GLY 480.A N LYS 476.A O no hydrogen 2.848 N/A ALA 481.A N THR 477.A O no hydrogen 2.938 N/A THR 483.A N ALA 479.A O no hydrogen 2.936 N/A THR 483.A OG1 ALA 479.A O no hydrogen 2.538 N/A TYR 484.A N GLY 480.A O no hydrogen 2.943 N/A GLN 488.A N GLN 488.A OE1 no hydrogen 3.007 N/A GLN 488.A NE2 CYS 9.A O no hydrogen 3.472 N/A SER 489.A OG ASN 11.A OD1 no hydrogen 2.370 N/A SER 489.A OG TRP 12.A O no hydrogen 2.233 N/A MET 490.A N PRO 487.A O no hydrogen 3.072 N/A THR 498.A N ARG 495.A O no hydrogen 2.958 N/A VAL 499.A N ARG 495.A O no hydrogen 3.051 N/A ILE 500.A N ALA 496.A O no hydrogen 2.982 N/A LYS 501.A N THR 498.A O no hydrogen 3.196 N/A LYS 501.A NZ GLU 110.A O no hydrogen 2.283 N/A GLY 502.A N VAL 499.A O no hydrogen 3.172 N/A LEU 504.A N ILE 500.A O no hydrogen 3.398 N/A LEU 505.A N LYS 501.A O no hydrogen 3.011 N/A LYS 506.A N GLY 502.A O no hydrogen 2.984 N/A LEU 507.A N PRO 503.A O no hydrogen 2.896 N/A LEU 508.A N LEU 504.A O no hydrogen 2.880 N/A LEU 509.A N LEU 505.A O no hydrogen 2.859 N/A GLU 510.A N LYS 506.A O no hydrogen 2.985 N/A GLU 510.A N LEU 507.A O no hydrogen 2.947 N/A THR 511.A N LEU 507.A O no hydrogen 2.850 N/A THR 511.A OG1 THR 513.A OG1 no hydrogen 2.728 N/A LYS 512.A NZ LYS 66.A O no hydrogen 2.810 N/A THR 513.A N LEU 508.A O no hydrogen 3.349 N/A THR 513.A OG1 THR 511.A O no hydrogen 3.314 N/A THR 513.A OG1 THR 511.A OG1 no hydrogen 2.728 N/A ARG 517.A NH1 TYR 677.A O no hydrogen 2.609 N/A ARG 517.A NH2 TYR 677.A O no hydrogen 2.348 N/A LYS 521.A NZ ARG 672.A O no hydrogen 2.165 N/A PHE 524.A N GLN 522.A O no hydrogen 3.230 N/A LYS 535.A NZ SER 745.A O no hydrogen 2.381 N/A PHE 539.A N LEU 796.A O no hydrogen 2.934 N/A ASN 541.A ND2 GLU 756.A OE2 no hydrogen 3.432 N/A ASN 542.A N SER 759.A O no hydrogen 3.140 N/A ASN 542.A ND2 SER 765.A OG no hydrogen 2.510 N/A VAL 543.A N TYR 793.A O no hydrogen 2.864 N/A LEU 544.A N THR 755.A O no hydrogen 2.264 N/A ILE 545.A N ALA 791.A O no hydrogen 2.478 N/A PHE 546.A N VAL 753.A O no hydrogen 2.772 N/A ASP 547.A N GLU 788.A O no hydrogen 3.419 N/A TYR 548.A N ASP 547.A OD1 no hydrogen 2.478 N/A ASN 549.A N LYS 786.A O no hydrogen 3.296 N/A ASN 554.A N SER 550.A O no hydrogen 2.792 N/A ASN 554.A ND2 ASN 549.A O no hydrogen 2.755 N/A ASN 554.A ND2 SER 550.A O no hydrogen 3.612 N/A VAL 555.A N LEU 551.A O no hydrogen 2.887 N/A CYS 556.A N TYR 552.A O no hydrogen 2.951 N/A CYS 556.A SG TYR 552.A O no hydrogen 3.703 N/A ILE 557.A N ASN 554.A O no hydrogen 2.735 N/A PHE 558.A N ASN 554.A O no hydrogen 3.004 N/A GLY 559.A N VAL 555.A O no hydrogen 3.145 N/A ASN 560.A ND2 ILE 617.A O no hydrogen 2.219 N/A SER 562.A OG GLU 564.A OE1 no hydrogen 2.256 N/A GLU 564.A N SER 562.A OG no hydrogen 2.709 N/A GLU 564.A N GLU 564.A OE1 no hydrogen 2.542 N/A THR 565.A N SER 562.A OG no hydrogen 3.014 N/A THR 565.A OG1 ASN 560.A O no hydrogen 2.626 N/A THR 565.A OG1 ASP 614.A O no hydrogen 3.416 N/A VAL 567.A N ILE 612.A O no hydrogen 3.270 N/A VAL 570.A N ILE 610.A O no hydrogen 2.642 N/A VAL 571.A N SER 77.A O no hydrogen 3.132 N/A SER 572.A OG TYR 78.A O no hydrogen 3.380 N/A SER 572.A OG VAL 571.A O no hydrogen 2.802 N/A SER 572.A OG GLU 577.A O no hydrogen 3.524 N/A GLU 577.A N ASN 574.A OD1 no hydrogen 2.624 N/A GLU 578.A N ASN 574.A O no hydrogen 2.720 N/A GLU 579.A N ARG 575.A O no hydrogen 2.896 N/A ILE 580.A N LEU 576.A O no hydrogen 2.880 N/A ASN 581.A N GLU 577.A O no hydrogen 2.880 N/A ASN 581.A ND2 GLU 577.A O no hydrogen 2.359 N/A ASN 582.A N GLU 578.A O no hydrogen 2.864 N/A GLN 583.A N GLU 579.A O no hydrogen 2.940 N/A LEU 584.A N ILE 580.A O no hydrogen 2.901 N/A LEU 585.A N ASN 581.A O no hydrogen 2.835 N/A LEU 586.A N ASN 582.A O no hydrogen 2.951 N/A GLN 587.A N GLN 583.A O no hydrogen 2.936 N/A GLN 587.A N LEU 584.A O no hydrogen 3.100 N/A GLN 587.A NE2 LEU 584.A O no hydrogen 3.577 N/A LYS 588.A N LEU 584.A O no hydrogen 2.878 N/A LYS 588.A NZ LEU 80.A O no hydrogen 3.173 N/A LYS 588.A NZ TYR 589.A OH no hydrogen 3.059 N/A TYR 589.A N LEU 585.A O no hydrogen 3.216 N/A ARG 593.A NE ASP 614.A OD1 no hydrogen 3.219 N/A ARG 593.A NE ASP 614.A OD2 no hydrogen 2.767 N/A ARG 593.A NH2 ASP 614.A OD2 no hydrogen 2.650 N/A VAL 597.A N ALA 611.A O no hydrogen 3.127 N/A CYS 599.A SG GLU 609.A O no hydrogen 3.478 N/A CYS 599.A SG SER 684.A OG no hydrogen 3.611 N/A ARG 602.A N GLU 609.A OE1 no hydrogen 2.603 N/A ARG 602.A NE GLU 609.A OE2 no hydrogen 2.566 N/A ARG 602.A NH1 GLU 74.A OE2 no hydrogen 2.177 N/A ARG 602.A NH2 GLU 609.A OE2 no hydrogen 2.734 N/A LEU 606.A N LEU 603.A O no hydrogen 3.172 N/A SER 608.A OG GLU 578.A OE2 no hydrogen 3.084 N/A ILE 610.A N VAL 570.A O no hydrogen 2.583 N/A ALA 611.A N VAL 597.A O no hydrogen 3.001 N/A ILE 612.A N GLY 568.A O no hydrogen 3.181 N/A ASP 614.A N THR 565.A O no hydrogen 3.177 N/A ARG 615.A N ARG 593.A O no hydrogen 3.075 N/A SER 616.A OG ASP 614.A OD2 no hydrogen 3.101 N/A GLY 619.A N ASN 560.A OD1 no hydrogen 3.212 N/A THR 620.A N GLU 564.A OE2 no hydrogen 2.403 N/A LEU 624.A N THR 620.A O no hydrogen 2.885 N/A LEU 625.A N ILE 621.A O no hydrogen 2.951 N/A ARG 626.A N PRO 622.A O no hydrogen 2.928 N/A ARG 626.A NE GLU 618.A OE1 no hydrogen 3.249 N/A ARG 626.A NE GLU 618.A OE2 no hydrogen 3.519 N/A ARG 626.A NH2 GLU 618.A OE1 no hydrogen 3.130 N/A THR 627.A N ARG 623.A O no hydrogen 2.937 N/A THR 627.A OG1 ARG 623.A O no hydrogen 3.004 N/A PHE 628.A N LEU 624.A O no hydrogen 2.870 N/A LEU 629.A N LEU 625.A O no hydrogen 3.032 N/A ALA 630.A N ARG 626.A O no hydrogen 2.904 N/A GLU 631.A N THR 627.A O no hydrogen 2.905 N/A ARG 632.A N PHE 628.A O no hydrogen 2.934 N/A ALA 633.A N LEU 629.A O no hydrogen 2.973 N/A ARG 634.A N ALA 630.A O no hydrogen 2.905 N/A ARG 634.A NH1 GLU 631.A OE2 no hydrogen 3.468 N/A TYR 635.A N GLU 631.A O no hydrogen 2.906 N/A LYS 636.A N ARG 632.A O no hydrogen 2.904 N/A LYS 637.A N ALA 633.A O no hydrogen 2.935 N/A MET 638.A N ARG 634.A O no hydrogen 2.945 N/A LEU 639.A N TYR 635.A O no hydrogen 2.864 N/A LYS 640.A N LYS 637.A O no hydrogen 2.991 N/A THR 646.A OG1 ASP 161.A OD2 no hydrogen 3.334 N/A LYS 648.A N SER 644.A O no hydrogen 3.102 N/A ALA 649.A N THR 646.A O no hydrogen 3.012 N/A ILE 650.A N THR 646.A O no hydrogen 2.876 N/A TYR 651.A N GLU 647.A O no hydrogen 2.940 N/A TYR 651.A OH GLU 647.A OE2 no hydrogen 2.487 N/A SER 653.A N ALA 649.A O no hydrogen 2.990 N/A MET 654.A N ILE 650.A O no hydrogen 2.934 N/A GLN 655.A N TYR 651.A O no hydrogen 2.941 N/A GLN 655.A NE2 ASP 652.A O no hydrogen 3.390 N/A TYR 656.A N ASP 652.A O no hydrogen 2.986 N/A THR 657.A N SER 653.A O no hydrogen 2.903 N/A TYR 658.A N MET 654.A O no hydrogen 2.973 N/A LYS 659.A N GLN 655.A O no hydrogen 3.022 N/A ILE 660.A N TYR 656.A O no hydrogen 2.958 N/A VAL 661.A N THR 657.A O no hydrogen 2.947 N/A ALA 662.A N TYR 658.A O no hydrogen 2.913 N/A ASN 663.A N LYS 659.A O no hydrogen 2.980 N/A ASN 663.A ND2 ILE 660.A O no hydrogen 3.677 N/A SER 664.A N VAL 661.A O no hydrogen 3.406 N/A SER 664.A OG VAL 661.A O no hydrogen 2.912 N/A VAL 665.A N ALA 662.A O no hydrogen 3.309 N/A TYR 666.A OH GLU 527.A OE1 no hydrogen 2.891 N/A TYR 666.A OH THR 686.A OG1 no hydrogen 3.376 N/A GLY 667.A N SER 664.A O no hydrogen 2.884 N/A LEU 668.A N SER 664.A O no hydrogen 3.361 N/A MET 669.A N VAL 665.A O no hydrogen 2.966 N/A SER 674.A N PHE 671.A O no hydrogen 2.884 N/A SER 674.A OG LEU 668.A O no hydrogen 2.488 N/A SER 674.A OG PHE 671.A O no hydrogen 2.216 N/A SER 678.A N MET 669.A O no hydrogen 3.306 N/A SER 678.A OG SER 681.A OG no hydrogen 3.308 N/A TYR 679.A OH PRO 525.A O no hydrogen 2.766 N/A ALA 682.A N SER 678.A O no hydrogen 3.153 N/A LYS 683.A N TYR 679.A O no hydrogen 2.928 N/A LYS 683.A NZ GLU 600.A O no hydrogen 3.463 N/A LYS 683.A NZ GLU 609.A OE1 no hydrogen 3.186 N/A LYS 683.A NZ GLU 609.A OE2 no hydrogen 2.556 N/A SER 684.A N ALA 680.A O no hydrogen 2.820 N/A SER 684.A OG ALA 680.A O no hydrogen 2.767 N/A CYS 685.A N SER 681.A O no hydrogen 2.890 N/A THR 686.A N ALA 682.A O no hydrogen 2.959 N/A THR 686.A OG1 TYR 666.A OH no hydrogen 3.376 N/A THR 686.A OG1 ALA 682.A O no hydrogen 3.246 N/A SER 687.A N LYS 683.A O no hydrogen 2.908 N/A SER 687.A OG HIS 598.A O no hydrogen 3.111 N/A SER 687.A OG LYS 683.A O no hydrogen 2.971 N/A ILE 688.A N SER 684.A O no hydrogen 2.800 N/A GLY 689.A N CYS 685.A O no hydrogen 2.973 N/A ARG 690.A N THR 686.A O no hydrogen 2.884 N/A ARG 691.A N SER 687.A O no hydrogen 2.872 N/A MET 692.A N ILE 688.A O no hydrogen 2.912 N/A ILE 693.A N GLY 689.A O no hydrogen 2.948 N/A LEU 694.A N ARG 690.A O no hydrogen 2.958 N/A TYR 695.A N ARG 691.A O no hydrogen 2.856 N/A TYR 695.A OH VAL 780.A O no hydrogen 2.695 N/A LEU 696.A N MET 692.A O no hydrogen 2.908 N/A GLU 697.A N ILE 693.A O no hydrogen 2.951 N/A SER 698.A N LEU 694.A O no hydrogen 2.901 N/A SER 698.A OG LEU 694.A O no hydrogen 3.083 N/A SER 698.A OG TYR 695.A O no hydrogen 2.469 N/A VAL 699.A N TYR 695.A O no hydrogen 2.905 N/A LEU 700.A N LEU 696.A O no hydrogen 2.944 N/A ASN 701.A N GLU 697.A O no hydrogen 2.824 N/A ALA 703.A N LEU 700.A O no hydrogen 3.316 N/A GLU 704.A N ARG 711.A O no hydrogen 2.902 N/A LEU 705.A N PHE 741.A O no hydrogen 2.255 N/A SER 706.A N MET 709.A O no hydrogen 2.572 N/A MET 709.A N SER 706.A O no hydrogen 2.735 N/A LEU 710.A N VAL 731.A O no hydrogen 2.675 N/A ARG 711.A N GLU 704.A O no hydrogen 2.894 N/A ARG 711.A NE SER 706.A OG no hydrogen 3.264 N/A PHE 712.A N PRO 729.A O no hydrogen 2.829 N/A LEU 716.A N ILE 727.A O no hydrogen 2.604 N/A ASN 718.A N ASP 723.A OD2 no hydrogen 3.246 N/A PHE 720.A N ASN 718.A OD1 no hydrogen 2.509 N/A TYR 721.A N ASN 718.A OD1 no hydrogen 2.650 N/A ARG 725.A N ASP 723.A OD1 no hydrogen 3.266 N/A ARG 725.A NE ASP 723.A OD1 no hydrogen 3.269 N/A ARG 725.A NH2 LEU 716.A O no hydrogen 2.263 N/A ILE 730.A N ASN 728.A OD1 no hydrogen 3.011 N/A VAL 731.A N LEU 710.A O no hydrogen 2.941 N/A LYS 732.A NZ GLY 708.A O no hydrogen 2.553 N/A THR 733.A N GLY 708.A O no hydrogen 2.796 N/A THR 733.A OG1 VAL 731.A O no hydrogen 3.296 N/A SER 734.A N GLU 771.A OE2 no hydrogen 2.550 N/A SER 734.A OG GLU 771.A OE2 no hydrogen 3.086 N/A TYR 739.A N PRO 736.A O no hydrogen 3.014 N/A TYR 739.A OH GLU 767.A OE1 no hydrogen 3.076 N/A ARG 742.A N ASP 758.A OD1 no hydrogen 2.869 N/A ARG 742.A N ASP 758.A OD2 no hydrogen 2.897 N/A PHE 743.A N ALA 703.A O no hydrogen 2.433 N/A ARG 744.A N GLU 756.A O no hydrogen 3.355 N/A ARG 744.A NH1 GLU 756.A OE1 no hydrogen 2.594 N/A ARG 744.A NH2 GLN 536.A OE1 no hydrogen 3.518 N/A SER 745.A OG GLU 697.A O no hydrogen 3.037 N/A VAL 746.A N PHE 754.A O no hydrogen 3.472 N/A ASP 749.A N SER 752.A O no hydrogen 3.326 N/A SER 752.A OG ASP 547.A OD1 no hydrogen 3.322 N/A SER 752.A OG ASP 751.A OD1 no hydrogen 3.098 N/A VAL 753.A N PHE 546.A O no hydrogen 2.435 N/A PHE 754.A N TYR 747.A O no hydrogen 2.303 N/A THR 755.A N LEU 544.A O no hydrogen 2.608 N/A THR 755.A OG1 LEU 544.A O no hydrogen 3.351 N/A GLU 756.A N ARG 744.A O no hydrogen 3.389 N/A ILE 757.A N ASN 542.A O no hydrogen 3.023 N/A ASP 758.A N ASP 758.A OD1 no hydrogen 2.471 N/A SER 759.A N ILE 757.A O no hydrogen 2.741 N/A GLN 760.A NE2 SER 540.A O no hydrogen 2.367 N/A ASP 761.A N SER 759.A OG no hydrogen 2.997 N/A ASP 763.A N ASP 761.A OD1 no hydrogen 3.224 N/A ASP 763.A N SER 815.A OG no hydrogen 3.208 N/A LYS 764.A N ASP 761.A OD1 no hydrogen 3.439 N/A SER 765.A N ASP 761.A O no hydrogen 2.980 N/A SER 765.A OG ASP 761.A O no hydrogen 2.700 N/A ILE 766.A N VAL 762.A O no hydrogen 2.879 N/A GLU 767.A N ASP 763.A O no hydrogen 2.957 N/A ILE 768.A N LYS 764.A O no hydrogen 2.899 N/A ALA 769.A N SER 765.A O no hydrogen 2.864 N/A LYS 770.A N ILE 766.A O no hydrogen 2.882 N/A GLU 771.A N GLU 767.A O no hydrogen 3.096 N/A LEU 772.A N ILE 768.A O no hydrogen 2.779 N/A GLU 773.A N ALA 769.A O no hydrogen 2.914 N/A ARG 774.A NH1 SER 734.A OG no hydrogen 2.607 N/A ARG 774.A NH2 SER 734.A OG no hydrogen 2.640 N/A LEU 775.A N GLU 771.A O no hydrogen 2.912 N/A ILE 776.A N LEU 772.A O no hydrogen 2.809 N/A ASN 777.A N GLU 773.A O no hydrogen 2.951 N/A ASN 777.A ND2 ILE 787.A O no hydrogen 3.484 N/A ASN 778.A N ARG 774.A O no hydrogen 2.922 N/A ASN 778.A N LEU 775.A O no hydrogen 3.350 N/A ARG 779.A N LEU 775.A O no hydrogen 2.882 N/A ARG 779.A NH2 ASP 726.A O no hydrogen 3.273 N/A VAL 780.A N ILE 776.A O no hydrogen 2.988 N/A LEU 781.A N ILE 776.A O no hydrogen 3.005 N/A PHE 785.A N PHE 782.A O no hydrogen 2.848 N/A LYS 786.A NZ ASN 777.A O no hydrogen 3.250 N/A ILE 787.A N ASN 777.A OD1 no hydrogen 3.195 N/A PHE 789.A N GLU 773.A OE1 no hydrogen 2.557 N/A GLU 790.A N ILE 545.A O no hydrogen 2.525 N/A ALA 791.A N ILE 545.A O no hydrogen 3.247 N/A TYR 793.A N VAL 543.A O no hydrogen 2.818 N/A LYS 794.A N MET 807.A O no hydrogen 3.302 N/A LYS 794.A NZ TYR 809.A OH no hydrogen 3.140 N/A ILE 797.A N THR 805.A O no hydrogen 2.692 N/A MET 798.A N LYS 537.A O no hydrogen 3.008 N/A GLN 799.A N LYS 803.A O no hydrogen 2.819 N/A SER 800.A N LYS 803.A O no hydrogen 3.249 N/A LYS 801.A NZ ASP 749.A OD1 no hydrogen 2.473 N/A THR 805.A N ILE 797.A O no hydrogen 2.847 N/A THR 805.A OG1 ILE 822.A O no hydrogen 2.473 N/A THR 806.A N ILE 822.A O no hydrogen 3.400 N/A THR 806.A OG1 LYS 794.A O no hydrogen 3.047 N/A MET 807.A N LYS 794.A O no hydrogen 3.178 N/A LYS 808.A N GLU 820.A O no hydrogen 2.529 N/A LYS 808.A NZ GLU 820.A OE1 no hydrogen 3.253 N/A TYR 809.A N VAL 792.A O no hydrogen 2.893 N/A SER 813.A N SER 810.A O no hydrogen 3.063 N/A SER 813.A OG SER 810.A OG no hydrogen 2.466 N/A ASN 814.A N SER 817.A OG no hydrogen 2.938 N/A SER 815.A OG ASP 761.A OD1 no hydrogen 3.331 N/A SER 817.A OG ASN 814.A O no hydrogen 3.390 N/A SER 817.A OG ASN 814.A OD1 no hydrogen 2.110 N/A GLU 820.A N LYS 808.A O no hydrogen 2.371 N/A ILE 822.A N THR 806.A O no hydrogen 3.267 N/A THR 826.A OG1 ASN 823.A OD1 no hydrogen 2.433 N/A