Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7wpp_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N SER 1.A OG no hydrogen 2.541 N/A SER 2.A OG SER 1.A O no hydrogen 2.284 N/A CYS 6.A N VAL 119.A O no hydrogen 2.973 N/A CYS 6.A SG ASN 15.A O no hydrogen 3.068 N/A SER 7.A N ASN 15.A O no hydrogen 2.961 N/A LEU 8.A N PHE 117.A O no hydrogen 3.320 N/A ASN 15.A N SER 7.A O no hydrogen 2.652 N/A THR 16.A N SER 20.A O no hydrogen 3.178 N/A THR 16.A OG1 SER 20.A O no hydrogen 3.535 N/A THR 16.A OG1 ASP 143.A OD2 no hydrogen 3.149 N/A PHE 17.A N CYS 133.A O no hydrogen 3.260 N/A SER 20.A N THR 16.A OG1 no hydrogen 2.959 N/A SER 20.A OG ALA 140.A O no hydrogen 3.100 N/A SER 20.A OG ASP 143.A OD2 no hydrogen 2.561 N/A TYR 22.A N VAL 14.A O no hydrogen 3.390 N/A SER 23.A OG ASP 12.A O no hydrogen 3.564 N/A PHE 24.A N ASP 12.A O no hydrogen 2.495 N/A CYS 28.A SG SER 29.A O no hydrogen 3.686 N/A CYS 28.A SG TYR 30.A OH no hydrogen 3.850 N/A TYR 30.A N GLY 45.A O no hydrogen 3.049 N/A LEU 31.A N TRP 162.A O no hydrogen 3.289 N/A LEU 32.A N ILE 43.A O no hydrogen 2.867 N/A ALA 33.A N ILE 43.A O no hydrogen 3.467 N/A GLY 34.A N THR 129.A OG1 no hydrogen 3.108 N/A CYS 36.A SG GLY 34.A O no hydrogen 3.781 N/A CYS 36.A SG CYS 130.A O no hydrogen 3.098 N/A ARG 39.A NE GLY 35.A O no hydrogen 3.075 N/A SER 42.A N TYR 58.A O no hydrogen 2.971 N/A ILE 43.A N ALA 33.A O no hydrogen 3.196 N/A ILE 44.A N SER 56.A O no hydrogen 2.795 N/A GLY 45.A N TYR 30.A O no hydrogen 2.890 N/A ASP 46.A N SER 54.A O no hydrogen 3.188 N/A PHE 47.A N CYS 28.A O no hydrogen 3.305 N/A GLN 48.A N LYS 51.A O no hydrogen 3.179 N/A GLY 50.A N GLY 26.A O no hydrogen 2.718 N/A ARG 52.A NH1 PHE 9.A O no hydrogen 3.467 N/A ARG 52.A NH1 GLY 10.A O no hydrogen 3.493 N/A ARG 52.A NH2 GLY 10.A O no hydrogen 2.731 N/A VAL 53.A N ASP 46.A O no hydrogen 3.029 N/A SER 54.A N ASP 46.A O no hydrogen 3.427 N/A LEU 55.A N LEU 67.A O no hydrogen 2.901 N/A SER 56.A N ILE 44.A O no hydrogen 2.778 N/A VAL 57.A N ILE 65.A O no hydrogen 3.219 N/A TYR 58.A N SER 42.A O no hydrogen 3.176 N/A TYR 58.A OH HIS 66.A NE2 no hydrogen 2.552 N/A LEU 59.A N PHE 63.A O no hydrogen 3.026 N/A GLY 60.A N SER 40.A O no hydrogen 3.181 N/A PHE 62.A N LEU 59.A O no hydrogen 3.251 N/A ILE 65.A N VAL 57.A O no hydrogen 3.220 N/A HIS 66.A N THR 74.A O no hydrogen 3.171 N/A HIS 66.A NE2 TYR 58.A OH no hydrogen 2.552 N/A LEU 67.A N LEU 55.A O no hydrogen 3.065 N/A PHE 68.A N THR 72.A O no hydrogen 3.079 N/A VAL 69.A N VAL 53.A O no hydrogen 3.120 N/A GLY 71.A N ASN 70.A OD1 no hydrogen 2.547 N/A THR 72.A OG1 ASN 70.A OD1 no hydrogen 3.480 N/A THR 74.A OG1 GLY 76.A O no hydrogen 3.474 N/A GLN 75.A N GLN 78.A O no hydrogen 3.105 N/A VAL 80.A N VAL 73.A O no hydrogen 3.143 N/A SER 86.A OG TYR 84.A OH no hydrogen 2.995 N/A LEU 89.A N SER 86.A O no hydrogen 3.207 N/A TYR 90.A N SER 101.A O no hydrogen 3.247 N/A LEU 91.A N TYR 84.A O no hydrogen 2.700 N/A GLU 92.A N LYS 99.A O no hydrogen 2.905 N/A GLU 94.A N TYR 97.A O no hydrogen 2.721 N/A TYR 97.A N GLU 94.A O no hydrogen 2.841 N/A LYS 99.A N GLU 92.A O no hydrogen 2.824 N/A LEU 100.A N ALA 109.A O no hydrogen 2.640 N/A SER 101.A N TYR 90.A O no hydrogen 3.307 N/A SER 101.A OG TYR 90.A O no hydrogen 3.537 N/A GLY 102.A N PHE 107.A O no hydrogen 2.793 N/A GLY 106.A N GLY 102.A O no hydrogen 2.519 N/A VAL 108.A N LEU 120.A O no hydrogen 2.857 N/A ALA 109.A N LEU 100.A O no hydrogen 2.993 N/A ARG 110.A N GLN 118.A O no hydrogen 3.148 N/A ILE 111.A N TYR 98.A O no hydrogen 3.226 N/A ASP 112.A N ASN 116.A O no hydrogen 3.199 N/A SER 114.A OG ASP 112.A OD1 no hydrogen 3.369 N/A SER 114.A OG ASP 112.A OD2 no hydrogen 3.068 N/A GLY 115.A N ASP 112.A O no hydrogen 3.402 N/A ASN 116.A N ASP 112.A OD1 no hydrogen 2.451 N/A ASN 116.A ND2 ASP 112.A OD2 no hydrogen 3.309 N/A PHE 117.A N LEU 8.A O no hydrogen 3.201 N/A VAL 119.A N CYS 6.A O no hydrogen 3.067 N/A LEU 120.A N VAL 108.A O no hydrogen 2.716 N/A SER 122.A OG ASP 123.A OD1 no hydrogen 3.137 N/A ASP 123.A N SER 2.A O no hydrogen 3.178 N/A ARG 124.A N SER 122.A OG no hydrogen 3.365 N/A ASN 127.A N PHE 136.A O no hydrogen 2.879 N/A THR 129.A OG1 GLY 34.A O no hydrogen 2.829 N/A LEU 132.A N LEU 31.A O no hydrogen 2.822 N/A CYS 133.A N LEU 32.A O no hydrogen 3.187 N/A GLY 134.A N GLY 131.A O no hydrogen 2.952 N/A ASN 135.A ND2 ASP 142.A O no hydrogen 3.538 N/A ASN 137.A ND2 ASP 142.A OD1 no hydrogen 3.465 N/A ASN 137.A ND2 ASP 142.A OD2 no hydrogen 2.786 N/A THR 146.A N THR 150.A O no hydrogen 2.701 N/A THR 146.A OG1 GLU 148.A OE1 no hydrogen 3.263 N/A THR 146.A OG1 THR 150.A O no hydrogen 2.950 N/A THR 146.A OG1 THR 150.A OG1 no hydrogen 2.795 N/A GLU 148.A N GLU 148.A OE1 no hydrogen 2.801 N/A GLY 149.A N THR 146.A O no hydrogen 2.806 N/A THR 150.A N THR 146.A OG1 no hydrogen 3.063 N/A THR 150.A OG1 THR 146.A OG1 no hydrogen 2.795 N/A THR 152.A OG1 PHE 144.A O no hydrogen 2.619 N/A TYR 156.A N ASP 154.A OD1 no hydrogen 3.327 N/A ALA 159.A N PRO 155.A O no hydrogen 3.032 N/A ASN 160.A N TYR 156.A O no hydrogen 2.527 N/A SER 161.A N PHE 158.A O no hydrogen 3.026 N/A SER 161.A OG PHE 158.A O no hydrogen 2.164 N/A TRP 162.A N ALA 159.A O no hydrogen 3.193 N/A ALA 163.A N ASN 160.A O no hydrogen 3.346 N/A LEU 164.A N SER 29.A O no hydrogen 3.090 N/A GLU 168.A N SER 166.A OG no hydrogen 3.310 N/A GLN 169.A N SER 166.A OG no hydrogen 2.931 N/A SER 179.A OG ASN 182.A OD1 no hydrogen 3.047 N/A CYS 181.A SG GLU 227.A OE1 no hydrogen 3.730 N/A SER 184.A N SER 180.A O no hydrogen 3.416 N/A SER 184.A OG SER 180.A O no hydrogen 2.382 N/A GLN 189.A N GLY 186.A O no hydrogen 3.236 N/A GLY 191.A N GLU 187.A O no hydrogen 3.290 N/A LEU 192.A N MET 188.A O no hydrogen 2.581 N/A TRP 193.A N GLN 189.A O no hydrogen 2.739 N/A TRP 193.A NE1 GLU 222.A OE2 no hydrogen 2.505 N/A GLN 197.A N GLU 194.A O no hydrogen 2.690 N/A LYS 200.A N GLN 197.A O no hydrogen 3.230 N/A LYS 200.A NZ GLU 215.A OE2 no hydrogen 3.492 N/A SER 201.A OG LEU 198.A O no hydrogen 3.508 N/A THR 202.A N LEU 198.A O no hydrogen 3.084 N/A THR 202.A OG1 LEU 198.A O no hydrogen 2.597 N/A ALA 206.A N SER 203.A O no hydrogen 3.050 N/A ARG 207.A NE SER 203.A O no hydrogen 2.469 N/A LEU 211.A N CYS 208.A O no hydrogen 2.739 N/A VAL 212.A N CYS 208.A O no hydrogen 2.783 N/A VAL 218.A N PRO 214.A O no hydrogen 2.718 N/A ALA 219.A N GLU 215.A O no hydrogen 3.191 N/A LEU 220.A N PRO 216.A O no hydrogen 3.359 N/A CYS 221.A N PHE 217.A O no hydrogen 3.398 N/A CYS 221.A SG PHE 217.A O no hydrogen 3.775 N/A CYS 221.A SG VAL 218.A O no hydrogen 3.024 N/A GLU 222.A N VAL 218.A O no hydrogen 3.384 N/A THR 224.A N CYS 221.A O no hydrogen 2.697 N/A THR 224.A OG1 GLU 227.A OE2 no hydrogen 2.812 N/A CYS 226.A SG LYS 223.A O no hydrogen 3.076 N/A CYS 226.A SG GLU 227.A OE1 no hydrogen 3.079 N/A GLU 227.A N GLU 227.A OE1 no hydrogen 2.651 N/A CYS 228.A SG THR 224.A O no hydrogen 3.839 N/A GLU 233.A N GLU 233.A OE1 no hydrogen 2.681 N/A CYS 236.A SG GLU 233.A O no hydrogen 3.085 N/A LEU 240.A N CYS 236.A O no hydrogen 2.757 N/A GLU 241.A N PRO 237.A O no hydrogen 3.140 N/A TYR 242.A N ALA 238.A O no hydrogen 3.158 N/A ALA 243.A N LEU 239.A O no hydrogen 3.327 N/A ARG 244.A N LEU 240.A O no hydrogen 3.103 N/A ARG 244.A NH1 ASP 112.A OD2 no hydrogen 3.413 N/A ARG 244.A NH2 ASP 112.A OD2 no hydrogen 3.329 N/A THR 245.A N GLU 241.A O no hydrogen 3.051 N/A THR 245.A OG1 GLU 241.A O no hydrogen 2.057 N/A CYS 246.A N TYR 242.A O no hydrogen 3.092 N/A CYS 246.A SG MET 251.A O no hydrogen 3.574 N/A ALA 247.A N ALA 243.A O no hydrogen 2.961 N/A GLN 248.A N ARG 244.A O no hydrogen 3.395 N/A GLU 249.A N THR 245.A O no hydrogen 3.054 N/A GLY 250.A N ALA 247.A O no hydrogen 3.042 N/A MET 251.A N CYS 246.A O no hydrogen 3.082 N/A THR 257.A OG1 CYS 262.A O no hydrogen 3.277 N/A ASP 258.A N GLY 255.A O no hydrogen 3.392 N/A CYS 266.A SG TYR 97.A OH no hydrogen 3.789 N/A CYS 266.A SG VAL 265.A O no hydrogen 3.093 N/A CYS 275.A SG TYR 254.A OH no hydrogen 3.697 N/A VAL 276.A N VAL 297.A O no hydrogen 2.660 N/A THR 282.A OG1 LEU 308.A O no hydrogen 2.215 N/A CYS 283.A N THR 282.A OG1 no hydrogen 2.602 N/A CYS 283.A N LEU 308.A O no hydrogen 3.230 N/A CYS 283.A SG SER 346.A OG no hydrogen 3.600 N/A SER 285.A OG THR 282.A O no hydrogen 3.112 N/A CYS 296.A SG VAL 276.A O no hydrogen 3.774 N/A VAL 297.A N VAL 276.A O no hydrogen 3.013 N/A CYS 300.A N ALA 95.A O no hydrogen 3.316 N/A CYS 300.A SG ALA 95.A O no hydrogen 3.421 N/A SER 301.A N GLU 271.A O no hydrogen 3.389 N/A ASP 309.A N LEU 312.A O no hydrogen 3.283 N/A VAL 314.A N LEU 307.A O no hydrogen 2.746 N/A GLU 318.A N GLU 315.A O no hydrogen 3.074 N/A CYS 319.A N SER 316.A O no hydrogen 3.191 N/A CYS 319.A SG CYS 283.A O no hydrogen 4.022 N/A CYS 321.A N TYR 328.A O no hydrogen 3.052 N/A HIS 323.A N LYS 326.A O no hydrogen 3.059 N/A SER 324.A OG HIS 323.A O no hydrogen 2.456 N/A TYR 328.A N CYS 321.A O no hydrogen 3.004 N/A GLY 331.A N CYS 343.A O no hydrogen 2.970 N/A THR 332.A OG1 PRO 329.A O no hydrogen 3.363 N/A LEU 334.A N CYS 341.A O no hydrogen 2.928 N/A ARG 336.A N ASN 339.A O no hydrogen 2.747 N/A CYS 338.A SG ASN 339.A OD1 no hydrogen 3.670 N/A CYS 338.A SG GLU 354.A O no hydrogen 3.875 N/A ASN 339.A ND2 SER 351.A OG no hydrogen 3.140 N/A ASN 339.A ND2 GLU 353.A O no hydrogen 3.552 N/A THR 340.A N SER 351.A OG no hydrogen 3.307 N/A CYS 341.A N LEU 334.A O no hydrogen 2.953 N/A ILE 342.A N ILE 349.A O no hydrogen 3.079 N/A CYS 343.A N THR 332.A O no hydrogen 3.374 N/A CYS 343.A SG PRO 329.A O no hydrogen 3.946 N/A ARG 344.A N GLN 347.A O no hydrogen 2.777 N/A SER 346.A OG CYS 283.A O no hydrogen 3.450 N/A SER 346.A OG PRO 320.A O no hydrogen 2.950 N/A GLN 347.A N ARG 344.A O no hydrogen 3.049 N/A ILE 349.A N ILE 342.A O no hydrogen 2.854 N/A SER 351.A N THR 340.A O no hydrogen 3.354 N/A CYS 355.A SG ASN 339.A OD1 no hydrogen 3.423 N/A CYS 355.A SG GLU 353.A O no hydrogen 3.538 N/A GLY 357.A N LEU 483.A O no hydrogen 2.736 N/A CYS 359.A N VAL 481.A O no hydrogen 3.336 N/A CYS 359.A SG LYS 368.A O no hydrogen 2.986 N/A LEU 360.A N LYS 368.A O no hydrogen 3.082 N/A VAL 361.A N LEU 479.A O no hydrogen 2.807 N/A THR 362.A N HIS 366.A O no hydrogen 3.120 N/A GLN 364.A N ASP 582.A OD1 no hydrogen 3.321 N/A SER 365.A OG PHE 377.A O no hydrogen 2.068 N/A HIS 366.A N THR 362.A O no hydrogen 3.277 N/A HIS 366.A ND1 THR 376.A OG1 no hydrogen 2.755 N/A HIS 366.A NE2 ASP 582.A OD1 no hydrogen 3.094 N/A PHE 367.A N PHE 375.A O no hydrogen 2.873 N/A LYS 368.A N LEU 360.A O no hydrogen 2.859 N/A LYS 368.A NZ GLU 358.A O no hydrogen 2.193 N/A LYS 368.A NZ SER 369.A O no hydrogen 3.558 N/A LYS 368.A NZ ASN 372.A OD1 no hydrogen 3.283 N/A SER 369.A N ARG 373.A O no hydrogen 2.818 N/A SER 369.A OG ARG 373.A O no hydrogen 3.343 N/A SER 369.A OG ASP 505.A OD2 no hydrogen 2.946 N/A PHE 370.A N CYS 495.A O no hydrogen 3.038 N/A ASN 372.A N SER 369.A O no hydrogen 3.063 N/A ARG 373.A N SER 369.A OG no hydrogen 2.611 N/A PHE 375.A N PHE 367.A O no hydrogen 3.124 N/A THR 376.A OG1 HIS 366.A ND1 no hydrogen 2.755 N/A PHE 377.A N SER 365.A O no hydrogen 3.111 N/A SER 378.A N GLN 536.A OE1 no hydrogen 2.675 N/A SER 378.A OG TYR 581.A OH no hydrogen 3.097 N/A CYS 381.A N THR 400.A OG1 no hydrogen 3.063 N/A TYR 383.A N ILE 398.A O no hydrogen 2.775 N/A LEU 384.A N TRP 524.A O no hydrogen 3.062 N/A LEU 385.A N ILE 396.A O no hydrogen 2.998 N/A ALA 386.A N ILE 396.A O no hydrogen 3.381 N/A ARG 387.A N CYS 492.A O no hydrogen 3.050 N/A ASP 388.A N PHE 394.A O no hydrogen 3.302 N/A CYS 389.A N LYS 490.A O no hydrogen 3.137 N/A CYS 389.A SG ARG 387.A O no hydrogen 3.059 N/A CYS 389.A SG CYS 492.A O no hydrogen 3.854 N/A SER 393.A OG ASP 388.A OD2 no hydrogen 2.717 N/A SER 393.A OG TYR 487.A OH no hydrogen 3.289 N/A ILE 396.A N ALA 386.A O no hydrogen 2.680 N/A VAL 397.A N THR 416.A O no hydrogen 2.925 N/A ILE 398.A N TYR 383.A O no hydrogen 2.785 N/A GLU 399.A N SER 414.A O no hydrogen 3.121 N/A THR 400.A N CYS 381.A O no hydrogen 3.096 N/A THR 400.A OG1 GLY 379.A O no hydrogen 2.572 N/A THR 400.A OG1 CYS 381.A O no hydrogen 3.034 N/A VAL 401.A N CYS 411.A O no hydrogen 2.950 N/A GLN 402.A NE2 ALA 404.A O no hydrogen 3.423 N/A GLN 402.A NE2 ASP 406.A O no hydrogen 3.027 N/A CYS 403.A N ALA 409.A O no hydrogen 3.003 N/A CYS 411.A N VAL 401.A O no hydrogen 2.935 N/A ARG 413.A N GLU 399.A O no hydrogen 3.010 N/A ARG 413.A NE GLU 399.A OE1 no hydrogen 3.149 N/A VAL 415.A N LEU 429.A O no hydrogen 3.202 N/A THR 416.A N VAL 397.A O no hydrogen 2.824 N/A VAL 417.A N VAL 427.A O no hydrogen 2.705 N/A ARG 418.A N SER 395.A O no hydrogen 3.112 N/A LEU 419.A N SER 425.A O no hydrogen 3.172 N/A LEU 422.A N LEU 419.A O no hydrogen 3.278 N/A SER 425.A N LEU 422.A O no hydrogen 2.822 N/A SER 425.A OG LEU 422.A O no hydrogen 3.210 N/A VAL 427.A N VAL 417.A O no hydrogen 2.794 N/A LYS 428.A N ALA 436.A O no hydrogen 2.921 N/A LEU 429.A N VAL 415.A O no hydrogen 2.871 N/A LYS 430.A N GLY 434.A O no hydrogen 2.894 N/A LYS 430.A NZ ASP 441.A OD1 no hydrogen 2.310 N/A ALA 433.A N LYS 430.A O no hydrogen 3.302 N/A ALA 436.A N LYS 428.A O no hydrogen 3.049 N/A MET 437.A N GLN 440.A O no hydrogen 3.036 N/A ASP 438.A N LEU 426.A O no hydrogen 3.180 N/A LEU 446.A N ILE 453.A O no hydrogen 3.009 N/A LYS 448.A N LEU 446.A O no hydrogen 2.561 N/A ARG 452.A N SER 464.A O no hydrogen 2.974 N/A GLN 454.A N ARG 462.A O no hydrogen 3.399 N/A ALA 459.A N THR 456.A O no hydrogen 3.370 N/A SER 460.A OG VAL 461.A O no hydrogen 3.416 N/A SER 460.A OG ASP 472.A OD1 no hydrogen 2.726 N/A ARG 462.A N GLN 454.A O no hydrogen 3.055 N/A ARG 462.A NH1 GLU 652.A OE1 no hydrogen 2.967 N/A SER 464.A N ARG 452.A O no hydrogen 2.889 N/A TYR 465.A N LEU 469.A O no hydrogen 3.080 N/A GLY 466.A N ASP 450.A O no hydrogen 3.128 N/A GLN 470.A N LYS 482.A O no hydrogen 3.181 N/A GLN 470.A NE2 SER 464.A OG no hydrogen 2.536 N/A MET 471.A N LEU 463.A O no hydrogen 2.901 N/A ARG 478.A NH1 THR 362.A OG1 no hydrogen 2.994 N/A VAL 481.A N CYS 359.A O no hydrogen 3.080 N/A LYS 482.A N GLN 470.A O no hydrogen 3.102 N/A LEU 483.A N GLY 357.A O no hydrogen 3.212 N/A TYR 487.A N SER 484.A O no hydrogen 3.098 N/A TYR 487.A OH SER 393.A OG no hydrogen 3.289 N/A ALA 488.A N PRO 485.A O no hydrogen 3.156 N/A GLY 489.A N TYR 498.A O no hydrogen 2.796 N/A LYS 490.A N TYR 487.A O no hydrogen 3.365 N/A LYS 490.A NZ VAL 486.A O no hydrogen 2.689 N/A LYS 490.A NZ ALA 488.A O no hydrogen 3.350 N/A THR 491.A OG1 ARG 387.A O no hydrogen 2.409 N/A CYS 492.A N ARG 387.A O no hydrogen 3.049 N/A LEU 494.A N LEU 384.A O no hydrogen 3.384 N/A CYS 495.A N LEU 385.A O no hydrogen 3.102 N/A CYS 495.A SG LEU 385.A O no hydrogen 3.337 N/A GLY 496.A N GLY 493.A O no hydrogen 3.303 N/A ASN 497.A ND2 THR 491.A O no hydrogen 3.508 N/A TYR 498.A OH CYS 355.A O no hydrogen 2.244 N/A ASN 499.A N ASP 371.A OD2 no hydrogen 3.251 N/A ASN 499.A ND2 ASP 504.A OD2 no hydrogen 2.631 N/A GLY 500.A N ASP 371.A OD1 no hydrogen 2.969 N/A ASN 501.A N ASN 499.A OD1 no hydrogen 2.976 N/A GLY 503.A N ASN 501.A OD1 no hydrogen 2.843 N/A THR 508.A N LEU 512.A O no hydrogen 3.195 N/A GLY 511.A N THR 508.A O no hydrogen 3.054 N/A GLU 514.A N PHE 506.A O no hydrogen 2.996 N/A ARG 516.A NE GLU 518.A OE1 no hydrogen 3.542 N/A GLU 518.A N GLU 518.A OE1 no hydrogen 2.858 N/A PHE 520.A N ARG 516.A O no hydrogen 3.217 N/A GLY 521.A N VAL 517.A O no hydrogen 3.216 N/A ASN 522.A ND2 LEU 533.A O no hydrogen 3.019 N/A ALA 523.A N PHE 520.A O no hydrogen 3.170 N/A TRP 524.A N GLY 521.A O no hydrogen 3.247 N/A LYS 525.A NZ CYS 530.A O no hydrogen 3.420 N/A LYS 525.A NZ GLN 531.A O no hydrogen 3.530 N/A LYS 525.A NZ ASP 532.A OD1 no hydrogen 2.248 N/A LEU 526.A N GLN 382.A O no hydrogen 3.073 N/A LEU 533.A N ASN 522.A OD1 no hydrogen 3.274 N/A GLN 536.A N GLU 518.A OE2 no hydrogen 2.942 N/A GLN 536.A NE2 SER 378.A OG no hydrogen 3.286 N/A GLN 536.A NE2 HIS 537.A O no hydrogen 3.659 N/A CYS 541.A SG ARG 580.A O no hydrogen 3.694 N/A ALA 542.A N ASP 539.A O no hydrogen 3.376 N/A ARG 546.A N ASN 544.A OD1 no hydrogen 3.394 N/A MET 547.A N ASN 544.A O no hydrogen 3.319 N/A SER 551.A N MET 547.A O no hydrogen 2.992 N/A SER 551.A OG MET 547.A O no hydrogen 2.978 N/A SER 551.A OG THR 548.A O no hydrogen 3.161 N/A GLU 552.A N THR 548.A O no hydrogen 3.263 N/A GLU 553.A N ARG 549.A O no hydrogen 3.004 N/A ALA 554.A N PHE 550.A O no hydrogen 2.791 N/A LEU 558.A N CYS 555.A O no hydrogen 3.210 N/A SER 560.A N VAL 557.A O no hydrogen 3.133 N/A SER 560.A OG VAL 557.A O no hydrogen 2.257 N/A THR 562.A N SER 560.A OG no hydrogen 3.362 N/A THR 562.A OG1 SER 560.A OG no hydrogen 2.745 N/A CYS 566.A N PHE 563.A O no hydrogen 3.126 N/A CYS 566.A SG PHE 563.A O no hydrogen 3.757 N/A CYS 566.A SG TYR 600.A OH no hydrogen 3.652 N/A VAL 570.A N CYS 566.A O no hydrogen 3.211 N/A LEU 576.A N PRO 572.A O no hydrogen 2.900 N/A ARG 577.A N LEU 573.A O no hydrogen 3.145 N/A ASN 578.A N PRO 574.A O no hydrogen 2.818 N/A CYS 579.A N TYR 575.A O no hydrogen 3.258 N/A TYR 581.A OH SER 378.A OG no hydrogen 3.097 N/A TYR 581.A OH ASP 408.A O no hydrogen 2.714 N/A ASP 582.A N ASN 578.A O no hydrogen 3.081 N/A ASP 582.A N CYS 579.A O no hydrogen 2.964 N/A VAL 583.A N CYS 579.A O no hydrogen 2.963 N/A CYS 584.A SG MET 547.A O no hydrogen 3.741 N/A SER 585.A N ASP 582.A O no hydrogen 3.196 N/A SER 585.A OG TYR 581.A O no hydrogen 2.570 N/A SER 585.A OG ASP 582.A O no hydrogen 3.046 N/A CYS 586.A N ASP 582.A O no hydrogen 2.930 N/A CYS 586.A SG ASP 582.A O no hydrogen 3.096 N/A ARG 590.A N ASP 588.A OD1 no hydrogen 3.020 N/A GLU 591.A N ASP 588.A O no hydrogen 3.288 N/A CYS 592.A N ASP 588.A O no hydrogen 3.380 N/A CYS 592.A SG ASP 588.A O no hydrogen 3.265 N/A LEU 593.A N GLY 589.A O no hydrogen 3.186 N/A CYS 594.A N ARG 590.A O no hydrogen 3.458 N/A CYS 594.A SG ARG 590.A O no hydrogen 3.379 N/A ALA 596.A N CYS 592.A O no hydrogen 3.186 N/A LEU 597.A N LEU 593.A O no hydrogen 3.187 N/A SER 599.A N ALA 596.A O no hydrogen 3.120 N/A SER 599.A OG ALA 596.A O no hydrogen 2.262 N/A ALA 601.A N LEU 597.A O no hydrogen 3.122 N/A ALA 602.A N ALA 598.A O no hydrogen 3.164 N/A ALA 603.A N SER 599.A O no hydrogen 3.310 N/A CYS 604.A N TYR 600.A O no hydrogen 2.869 N/A CYS 604.A SG TYR 600.A O no hydrogen 3.176 N/A ALA 605.A N ALA 601.A O no hydrogen 2.877 N/A GLY 606.A N ALA 602.A O no hydrogen 3.088 N/A ARG 607.A N CYS 604.A O no hydrogen 3.022 N/A ARG 607.A NH1 ARG 336.A O no hydrogen 2.916 N/A GLY 608.A N CYS 604.A O no hydrogen 3.039 N/A VAL 609.A N CYS 604.A O no hydrogen 3.049 N/A ARG 610.A NH1 ARG 610.A O no hydrogen 3.064 N/A ARG 618.A NE GLU 615.A OE1 no hydrogen 3.306 N/A ARG 618.A NH2 GLU 615.A OE2 no hydrogen 2.862 N/A CYS 619.A SG ARG 590.A O no hydrogen 3.760 N/A GLN 627.A NE2 GLY 670.A O no hydrogen 3.260 N/A VAL 628.A N PHE 659.A O no hydrogen 2.340 N/A TYR 629.A OH GLN 631.A OE1 no hydrogen 2.414 N/A LEU 630.A N GLY 657.A O no hydrogen 2.915 N/A CYS 632.A SG CYS 654.A O no hydrogen 3.325 N/A GLY 633.A N LEU 655.A O no hydrogen 2.543 N/A CYS 636.A SG ASN 637.A OD1 no hydrogen 3.946 N/A CYS 640.A SG PRO 679.A O no hydrogen 3.012 N/A ARG 641.A N THR 639.A OG1 no hydrogen 3.430 N/A SER 642.A N THR 639.A O no hydrogen 3.031 N/A SER 642.A OG THR 639.A O no hydrogen 2.599 N/A SER 644.A OG ARG 641.A O no hydrogen 2.685 N/A TYR 645.A N SER 642.A O no hydrogen 3.128 N/A TYR 645.A OH TYR 681.A O no hydrogen 3.109 N/A GLU 648.A N GLU 648.A OE1 no hydrogen 2.642 N/A CYS 654.A SG GLY 633.A O no hydrogen 3.203 N/A GLY 657.A N LEU 630.A O no hydrogen 3.135 N/A PHE 659.A N VAL 628.A O no hydrogen 3.039 N/A CYS 660.A SG LEU 664.A O no hydrogen 3.834 N/A LEU 664.A N PRO 661.A O no hydrogen 3.004 N/A TYR 665.A N VAL 673.A O no hydrogen 2.569 N/A GLU 668.A N ASP 667.A OD1 no hydrogen 2.479 N/A GLY 670.A N ASP 667.A O no hydrogen 3.377 N/A VAL 673.A N TYR 665.A O no hydrogen 2.727 N/A LYS 675.A NZ ASP 704.A OD2 no hydrogen 2.608 N/A CYS 678.A SG CYS 640.A O no hydrogen 3.305 N/A CYS 678.A SG PRO 679.A O no hydrogen 3.345 N/A CYS 680.A N PHE 687.A O no hydrogen 3.228 N/A PHE 687.A N CYS 680.A O no hydrogen 2.870 N/A GLN 688.A N ASP 691.A OD2 no hydrogen 2.576 N/A ASP 691.A N GLN 688.A O no hydrogen 3.020 N/A ASP 695.A N THR 698.A O no hydrogen 3.022 N/A THR 698.A OG1 THR 710.A O no hydrogen 2.640 N/A CYS 700.A N PHE 693.A O no hydrogen 3.083 N/A CYS 702.A N ASP 691.A O no hydrogen 3.428 N/A GLU 703.A N PHE 706.A O no hydrogen 3.425 N/A HIS 708.A N TYR 701.A O no hydrogen 3.020 N/A CYS 709.A N MET 707.A O no hydrogen 2.738 N/A CYS 709.A SG MET 707.A O no hydrogen 4.002 N/A THR 710.A N MET 699.A O no hydrogen 2.962 N/A THR 710.A OG1 MET 699.A O no hydrogen 3.293 N/A