Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ilv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 8.A NE PRO 7.A O no hydrogen 2.647 N/A ILE 9.A N GLU 24.A OE2 no hydrogen 2.874 N/A VAL 11.A N LEU 23.A O no hydrogen 3.046 N/A LEU 14.A N LEU 88.A O no hydrogen 2.706 N/A GLY 18.A N LEU 15.A O no hydrogen 2.742 N/A VAL 21.A N CYS 13.A O no hydrogen 3.173 N/A LEU 23.A N VAL 11.A O no hydrogen 3.287 N/A CYS 25.A N ILE 9.A O no hydrogen 3.022 N/A CYS 25.A SG GLU 37.A OE2 no hydrogen 3.312 N/A ALA 29.A N LEU 26.A O no hydrogen 3.248 N/A THR 30.A OG1 THR 33.A OG1 no hydrogen 2.865 N/A THR 33.A OG1 THR 30.A OG1 no hydrogen 2.865 N/A ILE 34.A N THR 30.A O no hydrogen 3.290 N/A LYS 35.A N LEU 31.A O no hydrogen 3.006 N/A LYS 35.A NZ TYR 57.A O no hydrogen 2.332 N/A HIS 36.A N ILE 32.A O no hydrogen 3.018 N/A GLU 37.A N THR 33.A O no hydrogen 3.316 N/A LEU 38.A N ILE 34.A O no hydrogen 2.987 N/A PHE 39.A N LYS 35.A O no hydrogen 3.407 N/A GLU 41.A N GLU 37.A O no hydrogen 2.902 N/A ALA 42.A N LEU 38.A O no hydrogen 2.714 N/A ARG 43.A N PHE 39.A O no hydrogen 3.236 N/A ARG 43.A N LYS 40.A O no hydrogen 3.359 N/A LYS 44.A N GLU 41.A O no hydrogen 3.361 N/A LYS 44.A NZ GLU 41.A OE2 no hydrogen 2.967 N/A TYR 45.A N ALA 42.A O no hydrogen 3.234 N/A HIS 48.A ND1 TYR 45.A O no hydrogen 2.410 N/A GLN 49.A NE2 PRO 46.A O no hydrogen 3.311 N/A LEU 51.A N HIS 48.A O no hydrogen 3.416 N/A SER 55.A OG ASP 53.A OD2 no hydrogen 3.290 N/A SER 56.A N ASP 53.A O no hydrogen 3.383 N/A TYR 57.A N GLU 54.A O no hydrogen 3.147 N/A TYR 57.A OH GLN 52.A OE1 no hydrogen 2.334 N/A ILE 58.A N ILE 91.A O no hydrogen 2.866 N/A VAL 60.A N LYS 89.A O no hydrogen 2.817 N/A THR 63.A N GLU 67.A O no hydrogen 3.136 N/A THR 63.A OG1 GLU 67.A O no hydrogen 2.827 N/A THR 63.A OG1 GLU 69.A OE2 no hydrogen 2.438 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.240 N/A ALA 66.A N THR 63.A O no hydrogen 3.232 N/A PHE 71.A N PHE 59.A O no hydrogen 2.910 N/A ARG 76.A NH1 ASP 73.A OD2 no hydrogen 3.113 N/A LEU 81.A N LEU 78.A O no hydrogen 3.220 N/A PHE 84.A N VAL 62.A O no hydrogen 2.925 N/A LYS 89.A N VAL 60.A O no hydrogen 3.188 N/A VAL 90.A N LEU 14.A O no hydrogen 3.158 N/A ILE 91.A N ILE 58.A O no hydrogen 2.994 N/A LEU 102.A N GLU 98.A O no hydrogen 3.197 N/A ASN 103.A N GLU 99.A O no hydrogen 2.940 N/A ARG 104.A N LYS 100.A O no hydrogen 3.081 N/A ARG 104.A N ILE 101.A O no hydrogen 3.130 N/A ARG 104.A NH1 GLU 69.A OE1 no hydrogen 2.699 N/A ARG 104.A NH2 ASP 80.A O no hydrogen 3.000 N/A GLU 105.A N ILE 101.A O no hydrogen 3.237 N/A ILE 106.A N LEU 102.A O no hydrogen 3.066 N/A GLY 107.A N ASN 103.A O no hydrogen 3.151 N/A PHE 108.A N ARG 104.A O no hydrogen 3.036 N/A ALA 109.A N GLU 105.A O no hydrogen 3.006 N/A ILE 110.A N ILE 106.A O no hydrogen 3.020 N/A GLY 111.A N GLY 107.A O no hydrogen 3.113 N/A CYS 115.A SG GLU 67.A OE2 no hydrogen 3.248 N/A PHE 117.A N VAL 114.A O no hydrogen 3.090 N/A ASP 118.A N CYS 115.A O no hydrogen 3.408 N/A MET 119.A N GLU 116.A O no hydrogen 3.446 N/A GLN 126.A N ASP 122.A O no hydrogen 3.052 N/A GLN 126.A NE2 VAL 120.A O no hydrogen 2.530 N/A ASP 127.A N PRO 123.A O no hydrogen 3.084 N/A PHE 128.A N VAL 125.A O no hydrogen 3.147 N/A ARG 129.A N VAL 125.A O no hydrogen 3.035 N/A ARG 129.A NH1 GLU 627.A OE1 no hydrogen 3.435 N/A ARG 130.A N GLN 126.A O no hydrogen 3.206 N/A ASN 131.A N ASP 127.A O no hydrogen 3.340 N/A ASN 131.A ND2 ASP 127.A O no hydrogen 2.310 N/A ILE 132.A N PHE 128.A O no hydrogen 2.979 N/A CYS 136.A SG ILE 132.A O no hydrogen 3.319 N/A CYS 136.A SG SER 628.A O no hydrogen 3.847 N/A CYS 136.A SG SER 628.A OG no hydrogen 2.932 N/A LYS 137.A N LEU 133.A O no hydrogen 3.059 N/A GLU 138.A N ASN 134.A O no hydrogen 2.954 N/A ALA 139.A N VAL 135.A O no hydrogen 2.770 N/A VAL 140.A N CYS 136.A O no hydrogen 3.220 N/A ASP 141.A N LYS 137.A O no hydrogen 2.914 N/A LEU 142.A N GLU 138.A O no hydrogen 3.061 N/A ARG 143.A N ALA 139.A O no hydrogen 3.235 N/A ARG 143.A NE ASP 272.A OD2 no hydrogen 3.346 N/A ARG 143.A NH1 LEU 596.A O no hydrogen 3.488 N/A ARG 143.A NH1 ALA 632.A O no hydrogen 3.234 N/A ARG 143.A NH2 ASP 272.A OD2 no hydrogen 2.767 N/A ARG 143.A NH2 ALA 632.A O no hydrogen 3.409 N/A ARG 143.A NH2 CYS 633.A O no hydrogen 3.514 N/A ASP 144.A N ASP 141.A O no hydrogen 3.133 N/A LEU 145.A N LEU 142.A O no hydrogen 3.325 N/A SER 150.A N SER 147.A O no hydrogen 2.902 N/A SER 150.A OG SER 147.A O no hydrogen 2.453 N/A ARG 151.A N PRO 148.A O no hydrogen 3.166 N/A ALA 152.A N PRO 148.A O no hydrogen 3.267 N/A MET 153.A N HIS 149.A O no hydrogen 3.028 N/A TYR 154.A OH CYS 633.A O no hydrogen 2.418 N/A TYR 156.A N ALA 152.A O no hydrogen 2.849 N/A TYR 156.A OH GLN 268.A OE1 no hydrogen 2.720 N/A SER 162.A OG ASP 564.A OD2 no hydrogen 2.197 N/A LYS 168.A NZ ASN 172.A OD1 no hydrogen 3.067 N/A TYR 171.A N PRO 167.A O no hydrogen 2.886 N/A ASN 172.A N LYS 168.A O no hydrogen 3.331 N/A LYS 173.A N ILE 170.A O no hydrogen 2.934 N/A GLN 178.A N ASP 175.A O no hydrogen 3.113 N/A GLN 178.A NE2 ASN 201.A OD1 no hydrogen 3.594 N/A ILE 179.A N ILE 200.A O no hydrogen 2.632 N/A VAL 181.A N LEU 198.A O no hydrogen 3.168 N/A VAL 182.A N PRO 255.A O no hydrogen 3.473 N/A ILE 183.A N TYR 196.A O no hydrogen 2.805 N/A TRP 184.A N LEU 257.A O no hydrogen 2.740 N/A SER 188.A OG ASN 190.A OD1 no hydrogen 2.204 N/A LYS 193.A NZ ASN 191.A O no hydrogen 3.355 N/A TYR 196.A N ILE 183.A O no hydrogen 2.744 N/A LEU 198.A N VAL 181.A O no hydrogen 3.189 N/A LYS 199.A NZ GLN 178.A OE1 no hydrogen 3.096 N/A ILE 200.A N ILE 179.A O no hydrogen 2.804 N/A CYS 204.A SG ASN 201.A O no hydrogen 3.340 N/A VAL 209.A N VAL 205.A O no hydrogen 2.967 N/A ILE 210.A N PRO 206.A O no hydrogen 2.832 N/A ALA 211.A N GLU 207.A O no hydrogen 3.045 N/A GLU 212.A N GLN 208.A O no hydrogen 3.031 N/A ALA 213.A N VAL 209.A O no hydrogen 3.031 N/A ILE 214.A N ILE 210.A O no hydrogen 3.028 N/A ARG 215.A N ALA 211.A O no hydrogen 3.215 N/A LYS 216.A N GLU 212.A O no hydrogen 2.928 N/A LYS 217.A N ALA 213.A O no hydrogen 2.921 N/A THR 218.A OG1 ARG 215.A O no hydrogen 3.079 N/A THR 218.A OG1 LYS 216.A O no hydrogen 3.253 N/A LYS 221.A NZ GLN 219.A O no hydrogen 3.486 N/A ILE 223.A N MET 260.A O no hydrogen 2.922 N/A LYS 225.A NZ VAL 226.A O no hydrogen 3.257 N/A LYS 225.A NZ CYS 229.A O no hydrogen 2.259 N/A VAL 226.A N GLU 231.A O no hydrogen 2.902 N/A CYS 227.A N ASN 256.A O no hydrogen 3.408 N/A GLY 228.A N ASP 725.A OD2 no hydrogen 2.959 N/A CYS 229.A N VAL 226.A O no hydrogen 3.365 N/A CYS 229.A SG GLU 231.A OE1 no hydrogen 3.151 N/A ASP 230.A N ALA 696.A O no hydrogen 3.095 N/A TYR 237.A N GLU 235.A O no hydrogen 2.707 N/A LEU 239.A N CYS 204.A O no hydrogen 2.747 N/A SER 240.A OG HIS 202.A O no hydrogen 3.133 N/A GLN 241.A N PRO 238.A O no hydrogen 2.971 N/A GLN 241.A NE2 GLU 161.A O no hydrogen 3.668 N/A TYR 242.A OH GLU 235.A O no hydrogen 2.937 N/A LYS 243.A N ASN 159.A O no hydrogen 2.873 N/A TYR 244.A OH ASN 256.A O no hydrogen 3.346 N/A ARG 246.A N TYR 242.A O no hydrogen 3.105 N/A SER 247.A N LYS 243.A O no hydrogen 2.952 N/A SER 247.A OG LYS 243.A O no hydrogen 3.308 N/A CYS 248.A N TYR 244.A O no hydrogen 2.974 N/A ILE 249.A N ILE 245.A O no hydrogen 3.034 N/A MET 250.A N ARG 246.A O no hydrogen 3.021 N/A LEU 251.A N SER 247.A O no hydrogen 2.944 N/A GLY 252.A N ILE 249.A O no hydrogen 2.851 N/A ARG 253.A N CYS 248.A O no hydrogen 2.763 N/A ASN 256.A N TYR 244.A OH no hydrogen 2.882 N/A LEU 257.A N VAL 182.A O no hydrogen 2.982 N/A MET 258.A N LYS 225.A O no hydrogen 3.013 N/A MET 260.A N ILE 223.A O no hydrogen 3.109 N/A LYS 262.A N LYS 221.A O no hydrogen 2.657 N/A LEU 265.A N ALA 261.A O no hydrogen 3.353 N/A TYR 266.A N LYS 262.A O no hydrogen 2.909 N/A SER 267.A N GLU 263.A O no hydrogen 3.168 N/A SER 267.A OG GLU 263.A O no hydrogen 2.912 N/A SER 267.A OG SER 264.A O no hydrogen 3.102 N/A GLN 268.A NE2 TYR 156.A OH no hydrogen 2.834 N/A LEU 269.A N TYR 266.A O no hydrogen 3.147 N/A ARG 281.A N SER 278.A O no hydrogen 3.248 N/A ARG 281.A NE SER 278.A O no hydrogen 3.237 N/A THR 284.A OG1 VAL 443.A O no hydrogen 2.990 N/A LYS 285.A N VAL 443.A O no hydrogen 3.313 N/A LYS 285.A NZ PHE 440.A O no hydrogen 2.465 N/A LEU 287.A N LYS 445.A O no hydrogen 2.886 N/A ILE 290.A N LEU 287.A O no hydrogen 3.244 N/A SER 292.A OG ALA 293.A O no hydrogen 3.484 N/A ALA 293.A N SER 292.A OG no hydrogen 2.611 N/A LEU 294.A N ILE 351.A O no hydrogen 3.405 N/A ILE 296.A N LEU 347.A O no hydrogen 2.918 N/A LYS 297.A N GLU 436.A O no hydrogen 2.985 N/A LYS 297.A NZ ASN 344.A OD1 no hydrogen 2.646 N/A ILE 298.A N GLU 345.A O no hydrogen 3.295 N/A LEU 299.A N GLU 434.A O no hydrogen 2.785 N/A THR 302.A N CYS 432.A O no hydrogen 2.926 N/A ARG 309.A N ASN 307.A OD1 no hydrogen 3.404 N/A ILE 311.A N ASN 307.A O no hydrogen 3.216 N/A LYS 313.A N VAL 369.A O no hydrogen 3.356 N/A ILE 314.A N VAL 336.A O no hydrogen 3.129 N/A TYR 315.A N CYS 367.A O no hydrogen 3.243 N/A VAL 316.A N THR 333.A OG1 no hydrogen 3.343 N/A THR 318.A N VAL 331.A O no hydrogen 3.161 N/A THR 318.A OG1 TYR 349.A OH no hydrogen 2.240 N/A HIS 322.A N GLU 325.A O no hydrogen 3.021 N/A LEU 327.A N ILE 320.A O no hydrogen 2.641 N/A ASN 330.A ND2 TYR 321.A OH no hydrogen 3.155 N/A THR 333.A N VAL 316.A O no hydrogen 3.202 N/A VAL 336.A N ILE 314.A O no hydrogen 3.072 N/A ASN 340.A N PRO 337.A O no hydrogen 3.339 N/A TRP 343.A N LEU 299.A O no hydrogen 3.328 N/A ASN 344.A N ILE 298.A O no hydrogen 2.862 N/A ASN 344.A N LEU 299.A O no hydrogen 3.131 N/A LEU 347.A N ILE 296.A O no hydrogen 2.626 N/A TYR 349.A N LEU 294.A O no hydrogen 3.035 N/A TYR 349.A OH THR 318.A OG1 no hydrogen 2.240 N/A ILE 353.A N SER 292.A O no hydrogen 3.447 N/A ASP 355.A N TYR 352.A O no hydrogen 2.865 N/A LEU 356.A N ILE 353.A O no hydrogen 3.203 N/A ARG 358.A NH1 TYR 582.A OH no hydrogen 2.449 N/A ARG 358.A NH2 ASP 391.A O no hydrogen 3.567 N/A CYS 363.A N GLY 319.A O no hydrogen 2.880 N/A CYS 363.A SG ARG 361.A O no hydrogen 3.232 N/A CYS 363.A SG ASN 386.A OD1 no hydrogen 3.185 N/A LEU 364.A N GLY 385.A O no hydrogen 3.019 N/A SER 365.A OG LEU 415.A O no hydrogen 2.953 N/A ILE 366.A N ALA 383.A O no hydrogen 3.345 N/A CYS 367.A N TYR 315.A O no hydrogen 3.052 N/A CYS 367.A SG TYR 315.A OH no hydrogen 3.647 N/A CYS 367.A SG SER 365.A OG no hydrogen 3.417 N/A SER 368.A N CYS 380.A O no hydrogen 2.954 N/A SER 368.A OG CYS 380.A O no hydrogen 2.896 N/A VAL 369.A N LYS 313.A O no hydrogen 2.997 N/A LYS 370.A NZ GLU 378.A OE2 no hydrogen 2.435 N/A LYS 376.A NZ GLU 377.A O no hydrogen 3.184 N/A CYS 380.A N SER 368.A O no hydrogen 2.902 N/A CYS 380.A SG PRO 381.A O no hydrogen 3.506 N/A LEU 382.A N ILE 366.A O no hydrogen 2.622 N/A TRP 384.A N TRP 406.A O no hydrogen 3.151 N/A TRP 384.A NE1 PRO 407.A O no hydrogen 2.944 N/A ASN 386.A ND2 ASN 417.A O no hydrogen 3.365 N/A ILE 387.A N LEU 362.A O no hydrogen 2.827 N/A ASN 388.A ND2 GLN 581.A OE1 no hydrogen 2.400 N/A ASP 391.A N THR 395.A O no hydrogen 2.723 N/A THR 393.A OG1 THR 393.A O no hydrogen 2.350 N/A ASP 394.A N ASP 391.A O no hydrogen 3.106 N/A LEU 396.A N VAL 444.A O no hydrogen 2.843 N/A VAL 397.A N LEU 389.A O no hydrogen 3.013 N/A SER 398.A OG LEU 396.A O no hydrogen 3.304 N/A MET 401.A N LEU 435.A O no hydrogen 2.939 N/A LEU 403.A N LEU 433.A O no hydrogen 2.957 N/A ASN 404.A N SER 424.A OG no hydrogen 3.361 N/A LEU 405.A N PRO 431.A O no hydrogen 2.729 N/A TRP 406.A N TRP 384.A O no hydrogen 3.018 N/A GLY 420.A N ASN 417.A O no hydrogen 3.212 N/A THR 422.A OG1 ASN 388.A OD1 no hydrogen 2.939 N/A SER 424.A OG ASN 404.A OD1 no hydrogen 3.530 N/A SER 424.A OG ASN 425.A O no hydrogen 3.527 N/A ASN 425.A N ASN 404.A O no hydrogen 3.231 N/A ASN 427.A N ASN 425.A OD1 no hydrogen 2.882 N/A ASN 427.A ND2 GLU 429.A OE2 no hydrogen 3.566 N/A THR 430.A OG1 ASN 427.A O no hydrogen 3.264 N/A CYS 432.A SG LEU 403.A O no hydrogen 3.524 N/A LEU 433.A N LEU 403.A O no hydrogen 2.830 N/A GLU 434.A N CYS 300.A O no hydrogen 3.056 N/A LEU 435.A N MET 401.A O no hydrogen 2.843 N/A GLU 436.A N LYS 297.A O no hydrogen 2.927 N/A SER 441.A OG PHE 440.A O no hydrogen 2.527 N/A SER 442.A OG SER 283.A O no hydrogen 2.739 N/A SER 442.A OG VAL 443.A O no hydrogen 3.274 N/A VAL 443.A N SER 283.A O no hydrogen 3.488 N/A LYS 445.A N LYS 285.A O no hydrogen 3.371 N/A LYS 445.A NZ THR 393.A O no hydrogen 3.259 N/A LYS 445.A NZ ASP 394.A O no hydrogen 2.675 N/A LYS 445.A NZ THR 395.A OG1 no hydrogen 2.387 N/A PHE 446.A N ASP 394.A O no hydrogen 3.396 N/A ILE 452.A N ASP 448.A O no hydrogen 3.258 N/A GLU 453.A N MET 449.A O no hydrogen 2.692 N/A GLU 454.A N SER 450.A O no hydrogen 2.950 N/A HIS 455.A N VAL 451.A O no hydrogen 3.291 N/A ALA 456.A N ILE 452.A O no hydrogen 3.323 N/A GLU 467.A N ASN 464.A O no hydrogen 3.202 N/A GLN 468.A NE2 GLN 468.A O no hydrogen 3.472 N/A LEU 469.A N ASP 465.A O no hydrogen 2.946 N/A LYS 470.A N LYS 466.A O no hydrogen 2.888 N/A ALA 471.A N GLU 467.A O no hydrogen 2.954 N/A ILE 472.A N GLN 468.A O no hydrogen 2.892 N/A SER 473.A N LEU 469.A O no hydrogen 3.216 N/A SER 473.A OG LEU 469.A O no hydrogen 3.472 N/A SER 473.A OG LYS 470.A O no hydrogen 2.847 N/A SER 473.A OG GLU 501.A OE2 no hydrogen 3.343 N/A THR 474.A OG1 LYS 470.A O no hydrogen 3.161 N/A THR 474.A OG1 ALA 471.A O no hydrogen 2.935 N/A ARG 475.A N ILE 472.A O no hydrogen 3.374 N/A SER 479.A N ASP 476.A O no hydrogen 3.171 N/A GLU 485.A N THR 482.A OG1 no hydrogen 3.317 N/A LYS 486.A N THR 482.A O no hydrogen 3.041 N/A ASP 487.A N GLU 483.A O no hydrogen 3.226 N/A PHE 488.A N GLN 484.A O no hydrogen 2.938 N/A LEU 489.A N GLU 485.A O no hydrogen 2.665 N/A TRP 490.A N LYS 486.A O no hydrogen 3.109 N/A SER 491.A N ASP 487.A O no hydrogen 3.035 N/A SER 491.A OG ASP 487.A O no hydrogen 2.823 N/A SER 491.A OG ASP 487.A OD1 no hydrogen 3.011 N/A HIS 492.A N PHE 488.A O no hydrogen 3.171 N/A HIS 492.A N LEU 489.A O no hydrogen 3.148 N/A HIS 492.A ND1 PHE 488.A O no hydrogen 3.300 N/A ARG 493.A NH1 TRP 490.A O no hydrogen 3.330 N/A CYS 496.A N ARG 493.A O no hydrogen 3.184 N/A CYS 496.A SG HIS 492.A O no hydrogen 3.345 N/A THR 498.A OG1 TYR 495.A O no hydrogen 3.162 N/A ILE 499.A N CYS 496.A O no hydrogen 3.247 N/A ILE 502.A N ILE 499.A O no hydrogen 3.012 N/A LEU 503.A N PRO 500.A O no hydrogen 3.443 N/A LYS 505.A NZ ASP 476.A O no hydrogen 3.088 N/A LEU 506.A N ILE 502.A O no hydrogen 2.932 N/A LEU 507.A N LEU 503.A O no hydrogen 2.991 N/A SER 509.A N LEU 506.A O no hydrogen 2.944 N/A SER 509.A OG LYS 486.A O no hydrogen 2.895 N/A VAL 510.A N LEU 507.A O no hydrogen 3.385 N/A ASN 513.A ND2 LEU 327.A O no hydrogen 2.199 N/A ALA 519.A N ARG 515.A O no hydrogen 3.131 N/A GLN 520.A N ASP 516.A O no hydrogen 3.308 N/A GLN 520.A NE2 ASP 516.A O no hydrogen 3.696 N/A MET 521.A N GLU 517.A O no hydrogen 2.987 N/A MET 521.A N VAL 518.A O no hydrogen 3.206 N/A TYR 522.A N VAL 518.A O no hydrogen 3.123 N/A TYR 522.A OH ASP 546.A OD1 no hydrogen 3.295 N/A TYR 522.A OH ASP 546.A OD2 no hydrogen 2.566 N/A VAL 525.A N MET 521.A O no hydrogen 3.053 N/A LYS 526.A N TYR 522.A O no hydrogen 3.199 N/A LYS 526.A NZ GLU 453.A OE1 no hydrogen 3.562 N/A ASP 527.A N LEU 524.A O no hydrogen 3.092 N/A TRP 528.A NE1 PRO 500.A O no hydrogen 3.155 N/A GLN 535.A N LYS 532.A O no hydrogen 3.009 N/A ALA 536.A N LYS 532.A O no hydrogen 2.855 N/A MET 537.A N PRO 533.A O no hydrogen 3.338 N/A GLU 538.A N GLN 535.A O no hydrogen 3.193 N/A LEU 540.A N MET 537.A O no hydrogen 3.223 N/A ASP 541.A N GLU 538.A O no hydrogen 3.188 N/A CYS 542.A N ASP 541.A OD1 no hydrogen 2.562 N/A TYR 544.A OH PRO 504.A O no hydrogen 2.634 N/A ARG 550.A N ASP 546.A O no hydrogen 3.063 N/A ARG 550.A NE GLU 580.A OE2 no hydrogen 3.030 N/A ARG 550.A NH2 GLU 580.A OE2 no hydrogen 3.110 N/A GLY 551.A N PRO 547.A O no hydrogen 2.753 N/A PHE 552.A N MET 548.A O no hydrogen 2.695 N/A ALA 553.A N VAL 549.A O no hydrogen 2.984 N/A VAL 554.A N ARG 550.A O no hydrogen 3.322 N/A ARG 555.A N GLY 551.A O no hydrogen 3.277 N/A CYS 556.A N PHE 552.A O no hydrogen 3.260 N/A CYS 556.A N ALA 553.A O no hydrogen 3.206 N/A LEU 557.A N ALA 553.A O no hydrogen 3.114 N/A GLU 558.A N VAL 554.A O no hydrogen 2.855 N/A LYS 559.A NZ ARG 555.A O no hydrogen 3.332 N/A LYS 559.A NZ GLU 558.A OE1 no hydrogen 3.233 N/A TYR 560.A N CYS 556.A O no hydrogen 2.957 N/A LEU 561.A N LEU 557.A O no hydrogen 2.975 N/A THR 562.A OG1 ASP 564.A OD1 no hydrogen 3.186 N/A ASP 564.A N ASP 563.A OD1 no hydrogen 2.766 N/A LYS 565.A NZ SER 162.A OG no hydrogen 3.293 N/A LEU 566.A N THR 562.A O no hydrogen 2.970 N/A SER 567.A N ASP 563.A O no hydrogen 3.122 N/A SER 567.A OG ASP 563.A O no hydrogen 3.235 N/A GLN 568.A N ASP 564.A O no hydrogen 3.260 N/A TYR 569.A N LYS 565.A O no hydrogen 3.004 N/A GLN 572.A NE2 GLN 753.A OE1 no hydrogen 2.447 N/A LEU 573.A N TYR 569.A O no hydrogen 3.195 N/A VAL 574.A N LEU 570.A O no hydrogen 3.185 N/A GLN 575.A N ILE 571.A O no hydrogen 3.267 N/A VAL 576.A N GLN 572.A O no hydrogen 2.996 N/A LEU 577.A N VAL 574.A O no hydrogen 3.128 N/A LYS 578.A NZ GLN 575.A OE1 no hydrogen 3.434 N/A LYS 578.A NZ GLU 612.A OE1 no hydrogen 3.090 N/A TYR 579.A OH MET 925.A O no hydrogen 2.364 N/A TYR 582.A OH PHE 390.A O no hydrogen 2.343 N/A VAL 588.A N ASN 585.A OD1 no hydrogen 3.261 N/A PHE 590.A N LEU 587.A O no hydrogen 2.983 N/A LEU 591.A N LEU 587.A O no hydrogen 2.565 N/A LEU 592.A N VAL 588.A O no hydrogen 2.885 N/A ALA 595.A N LEU 591.A O no hydrogen 2.988 N/A LEU 596.A N LEU 592.A O no hydrogen 2.930 N/A THR 597.A N LYS 594.A O no hydrogen 3.088 N/A THR 597.A OG1 LYS 593.A O no hydrogen 3.037 N/A ASN 598.A N LYS 594.A O no hydrogen 2.974 N/A GLN 599.A N TYR 154.A O no hydrogen 3.060 N/A GLY 602.A N ASN 598.A O no hydrogen 2.808 N/A HIS 603.A N GLN 599.A O no hydrogen 2.774 N/A HIS 603.A ND1 TYR 636.A OH no hydrogen 2.405 N/A HIS 603.A NE2 PRO 692.A O no hydrogen 2.809 N/A PHE 605.A N ILE 601.A O no hydrogen 2.705 N/A PHE 606.A N GLY 602.A O no hydrogen 3.060 N/A TRP 607.A N HIS 603.A O no hydrogen 3.414 N/A TRP 607.A NE1 GLN 643.A OE1 no hydrogen 3.206 N/A HIS 608.A N PHE 604.A O no hydrogen 2.887 N/A LEU 609.A N PHE 605.A O no hydrogen 3.162 N/A LYS 610.A N PHE 606.A O no hydrogen 2.719 N/A SER 611.A N TRP 607.A O no hydrogen 3.110 N/A SER 611.A OG HIS 608.A O no hydrogen 3.496 N/A GLU 612.A N LEU 609.A O no hydrogen 3.363 N/A HIS 614.A ND1 SER 611.A O no hydrogen 2.571 N/A PHE 622.A N VAL 618.A O no hydrogen 3.098 N/A GLY 623.A N SER 619.A O no hydrogen 2.913 N/A LEU 624.A N GLN 620.A O no hydrogen 3.155 N/A LEU 626.A N PHE 622.A O no hydrogen 3.023 N/A GLU 627.A N GLY 623.A O no hydrogen 3.047 N/A SER 628.A N LEU 624.A O no hydrogen 3.408 N/A TYR 629.A N LEU 625.A O no hydrogen 3.232 N/A CYS 630.A N LEU 626.A O no hydrogen 2.645 N/A CYS 630.A SG LEU 626.A O no hydrogen 3.142 N/A ARG 631.A N GLU 627.A O no hydrogen 3.146 N/A ARG 631.A NH2 ASN 103.A OD1 no hydrogen 3.392 N/A ARG 631.A NH2 GLU 627.A OE2 no hydrogen 3.497 N/A ALA 632.A N SER 628.A O no hydrogen 3.421 N/A CYS 633.A SG CYS 630.A O no hydrogen 3.349 N/A CYS 633.A SG GLY 634.A O no hydrogen 3.775 N/A TYR 636.A OH HIS 603.A ND1 no hydrogen 2.405 N/A LYS 638.A N MET 635.A O no hydrogen 3.378 N/A LEU 640.A N TYR 636.A O no hydrogen 2.796 N/A ASN 641.A N LEU 637.A O no hydrogen 3.214 N/A ASN 641.A ND2 GLU 105.A O no hydrogen 3.403 N/A ARG 642.A N HIS 639.A O no hydrogen 3.104 N/A ARG 642.A NH2 ASP 684.A O no hydrogen 3.134 N/A ARG 642.A NH2 ALA 685.A O no hydrogen 2.614 N/A ARG 642.A NH2 GLN 687.A O no hydrogen 2.716 N/A GLN 643.A N HIS 639.A O no hydrogen 3.374 N/A VAL 644.A N LEU 640.A O no hydrogen 3.469 N/A GLU 645.A N ASN 641.A O no hydrogen 3.422 N/A ALA 646.A N ARG 642.A O no hydrogen 2.957 N/A MET 647.A N GLN 643.A O no hydrogen 2.799 N/A GLU 648.A N GLU 645.A O no hydrogen 3.211 N/A LYS 649.A N GLU 645.A O no hydrogen 3.266 N/A ASN 652.A N GLU 648.A O no hydrogen 3.154 N/A LEU 653.A N LYS 649.A O no hydrogen 3.009 N/A THR 654.A N LEU 650.A O no hydrogen 2.858 N/A THR 654.A OG1 LEU 650.A O no hydrogen 3.055 N/A THR 654.A OG1 ILE 651.A O no hydrogen 2.922 N/A ASP 655.A N ILE 651.A O no hydrogen 2.739 N/A ILE 656.A N ASN 652.A O no hydrogen 3.327 N/A LYS 658.A N ASP 655.A O no hydrogen 3.152 N/A LYS 658.A NZ LYS 714.A O no hydrogen 3.380 N/A LYS 658.A NZ ASN 741.A O no hydrogen 3.314 N/A LYS 658.A NZ ASN 741.A OD1 no hydrogen 3.007 N/A GLN 659.A N ASP 655.A O no hydrogen 3.198 N/A GLU 664.A N LYS 661.A O no hydrogen 3.199 N/A GLN 669.A N THR 665.A O no hydrogen 3.128 N/A MET 670.A N GLN 666.A O no hydrogen 2.808 N/A LYS 671.A N LYS 667.A O no hydrogen 3.292 N/A PHE 672.A N VAL 668.A O no hydrogen 2.769 N/A LEU 673.A N GLN 669.A O no hydrogen 3.031 N/A VAL 674.A N MET 670.A O no hydrogen 3.328 N/A GLN 676.A N PHE 672.A O no hydrogen 3.119 N/A MET 677.A N LEU 673.A O no hydrogen 2.938 N/A ARG 678.A N GLU 675.A O no hydrogen 3.137 N/A PHE 682.A N ARG 679.A O no hydrogen 3.218 N/A MET 683.A N ARG 679.A O no hydrogen 3.224 N/A ASP 684.A N PRO 680.A O no hydrogen 3.115 N/A LEU 686.A N PHE 682.A O no hydrogen 2.929 N/A GLY 688.A N LEU 699.A O no hydrogen 2.839 N/A SER 691.A N HIS 697.A O no hydrogen 3.222 N/A ASN 694.A N SER 691.A O no hydrogen 3.338 N/A HIS 697.A N ASN 694.A O no hydrogen 3.301 N/A LEU 699.A N PHE 689.A O no hydrogen 3.294 N/A GLY 700.A N GLU 722.A O no hydrogen 2.941 N/A ARG 703.A N ASN 720.A O no hydrogen 3.018 N/A ARG 703.A NH2 GLU 722.A OE1 no hydrogen 2.728 N/A CYS 707.A SG ARG 703.A O no hydrogen 3.091 N/A CYS 707.A SG GLU 706.A O no hydrogen 3.363 N/A CYS 707.A SG TRP 718.A O no hydrogen 3.980 N/A CYS 707.A SG ASN 720.A O no hydrogen 3.765 N/A MET 710.A N PRO 716.A O no hydrogen 3.157 N/A ARG 715.A NH1 SER 712.A O no hydrogen 2.911 N/A LEU 717.A N PHE 739.A O no hydrogen 3.292 N/A TRP 718.A N ARG 708.A O no hydrogen 3.159 N/A LEU 719.A N ILE 737.A O no hydrogen 3.070 N/A ASN 720.A ND2 GLU 706.A O no hydrogen 2.539 N/A ASN 723.A ND2 GLY 228.A O no hydrogen 3.045 N/A GLU 729.A N GLU 729.A OE1 no hydrogen 2.909 N/A LEU 731.A N SER 728.A O no hydrogen 3.332 N/A PHE 732.A N SER 728.A O no hydrogen 3.219 N/A ASN 734.A ND2 ASN 720.A OD1 no hydrogen 3.102 N/A ASN 735.A N TRP 721.A O no hydrogen 2.658 N/A ASN 735.A ND2 ASN 723.A OD1 no hydrogen 3.147 N/A ILE 737.A N LEU 719.A O no hydrogen 3.143 N/A ILE 738.A N ILE 786.A O no hydrogen 2.706 N/A PHE 739.A N LEU 717.A O no hydrogen 2.893 N/A LYS 740.A N GLY 784.A O no hydrogen 2.902 N/A GLY 742.A N CYS 782.A O no hydrogen 2.592 N/A ARG 746.A NH1 SER 929.A O no hydrogen 2.574 N/A GLN 747.A NE2 ASP 744.A OD2 no hydrogen 2.573 N/A MET 749.A N LEU 745.A O no hydrogen 2.925 N/A LEU 750.A N ARG 746.A O no hydrogen 3.127 N/A THR 751.A N GLN 747.A O no hydrogen 3.047 N/A THR 751.A OG1 GLN 747.A O no hydrogen 2.954 N/A LEU 752.A N ASP 748.A O no hydrogen 3.066 N/A GLN 753.A N MET 749.A O no hydrogen 3.256 N/A GLN 753.A N LEU 750.A O no hydrogen 3.152 N/A GLN 753.A NE2 GLN 572.A OE1 no hydrogen 2.485 N/A ILE 754.A N LEU 750.A O no hydrogen 3.129 N/A ILE 755.A N THR 751.A O no hydrogen 3.005 N/A ARG 756.A N LEU 752.A O no hydrogen 2.983 N/A ILE 757.A N GLN 753.A O no hydrogen 2.944 N/A MET 758.A N ILE 754.A O no hydrogen 2.698 N/A GLU 759.A N ILE 755.A O no hydrogen 3.084 N/A ASN 760.A N ARG 756.A O no hydrogen 3.303 N/A ILE 761.A N ILE 757.A O no hydrogen 3.112 N/A TRP 762.A N MET 758.A O no hydrogen 3.010 N/A TRP 762.A NE1 ALA 908.A O no hydrogen 3.143 N/A GLN 763.A N GLU 759.A O no hydrogen 2.979 N/A ASN 764.A N ASN 760.A O no hydrogen 3.021 N/A ASN 764.A ND2 ASN 760.A O no hydrogen 2.829 N/A GLN 765.A N ILE 761.A O no hydrogen 3.084 N/A GLY 766.A N TRP 762.A O no hydrogen 3.105 N/A ARG 770.A NH2 GLN 858.A OE1 no hydrogen 2.549 N/A MET 771.A N GLU 759.A OE2 no hydrogen 2.829 N/A TYR 774.A OH ASP 748.A OD2 no hydrogen 3.426 N/A CYS 776.A SG GLY 775.A O no hydrogen 3.592 N/A LEU 777.A N LEU 785.A O no hydrogen 3.140 N/A SER 778.A OG VAL 783.A O no hydrogen 3.464 N/A ILE 779.A N VAL 783.A O no hydrogen 2.869 N/A GLY 784.A N LYS 740.A O no hydrogen 2.833 N/A LEU 785.A N LEU 777.A O no hydrogen 2.830 N/A ILE 786.A N ILE 738.A O no hydrogen 2.801 N/A GLU 787.A N GLY 775.A O no hydrogen 3.010 N/A SER 792.A OG ASN 791.A O no hydrogen 2.677 N/A HIS 793.A N VAL 853.A O no hydrogen 3.051 N/A ILE 795.A N ILE 851.A O no hydrogen 3.163 N/A MET 796.A N ASN 848.A O no hydrogen 2.602 N/A GLN 797.A N THR 794.A OG1 no hydrogen 2.975 N/A ILE 798.A N THR 794.A O no hydrogen 2.845 N/A CYS 800.A N GLN 797.A O no hydrogen 3.197 N/A CYS 800.A SG MET 796.A O no hydrogen 3.841 N/A LYS 801.A N GLN 797.A O no hydrogen 3.309 N/A HIS 805.A N ASN 803.A OD1 no hydrogen 3.514 N/A THR 806.A OG1 ASN 803.A O no hydrogen 2.827 N/A HIS 808.A NE2 TYR 820.A OH no hydrogen 2.595 N/A GLN 809.A N HIS 805.A O no hydrogen 2.813 N/A TRP 810.A N THR 806.A O no hydrogen 2.944 N/A LEU 811.A N LEU 807.A O no hydrogen 3.235 N/A LYS 812.A N HIS 808.A O no hydrogen 2.789 N/A LYS 812.A NZ TYR 820.A OH no hydrogen 2.965 N/A ASP 813.A N GLN 809.A O no hydrogen 2.756 N/A ASP 813.A N TRP 810.A O no hydrogen 3.173 N/A LYS 814.A N TRP 810.A O no hydrogen 3.404 N/A ASN 815.A ND2 LEU 811.A O no hydrogen 2.831 N/A ASN 815.A ND2 ASP 855.A O no hydrogen 3.657 N/A TYR 820.A N GLY 817.A O no hydrogen 3.354 N/A TYR 820.A OH HIS 808.A NE2 no hydrogen 2.595 N/A ASP 821.A N GLU 818.A O no hydrogen 3.412 N/A ALA 822.A N ILE 819.A O no hydrogen 3.095 N/A ALA 823.A N ILE 819.A O no hydrogen 3.090 N/A ALA 823.A N TYR 820.A O no hydrogen 3.105 N/A ILE 824.A N TYR 820.A O no hydrogen 3.423 N/A LEU 826.A N ALA 822.A O no hydrogen 3.136 N/A PHE 827.A N ALA 823.A O no hydrogen 3.049 N/A THR 828.A N ASP 825.A O no hydrogen 2.930 N/A THR 828.A OG1 ILE 824.A O no hydrogen 3.205 N/A ARG 829.A N ASP 825.A O no hydrogen 2.910 N/A ARG 829.A NE ASP 768.A O no hydrogen 2.758 N/A ARG 829.A NH1 ASP 825.A OD1 no hydrogen 2.550 N/A ARG 829.A NH2 ASP 768.A OD1 no hydrogen 3.353 N/A SER 830.A N LEU 826.A O no hydrogen 3.273 N/A SER 830.A OG LEU 826.A O no hydrogen 2.893 N/A CYS 831.A SG PHE 827.A O no hydrogen 3.211 N/A ALA 832.A N THR 828.A O no hydrogen 2.983 N/A TYR 834.A N SER 830.A O no hydrogen 3.363 N/A CYS 835.A N CYS 831.A O no hydrogen 3.243 N/A CYS 835.A SG CYS 831.A O no hydrogen 3.073 N/A VAL 836.A N ALA 832.A O no hydrogen 3.410 N/A ALA 837.A N GLY 833.A O no hydrogen 3.144 N/A THR 838.A OG1 TYR 834.A O no hydrogen 2.428 N/A THR 838.A OG1 CYS 835.A O no hydrogen 3.266 N/A PHE 839.A N CYS 835.A O no hydrogen 3.217 N/A ILE 840.A N VAL 836.A O no hydrogen 3.075 N/A LEU 841.A N ALA 837.A O no hydrogen 3.118 N/A GLY 842.A N THR 838.A O no hydrogen 2.737 N/A HIS 847.A N ASN 850.A OD1 no hydrogen 3.211 N/A HIS 847.A NE2 ASP 845.A OD2 no hydrogen 2.552 N/A MET 852.A N PHE 860.A O no hydrogen 2.837 N/A VAL 853.A N HIS 793.A O no hydrogen 2.929 N/A LYS 854.A N GLN 858.A O no hydrogen 2.910 N/A GLY 857.A N LYS 854.A O no hydrogen 3.168 N/A LEU 859.A N SER 830.A OG no hydrogen 3.306 N/A PHE 860.A N MET 852.A O no hydrogen 2.942 N/A ILE 862.A N ASN 850.A O no hydrogen 2.915 N/A LEU 868.A N LEU 841.A O no hydrogen 2.934 N/A ASP 869.A N GLY 842.A O no hydrogen 3.318 N/A ASP 880.A N THR 878.A OG1 no hydrogen 2.984 N/A LEU 882.A N THR 878.A O no hydrogen 3.108 N/A ILE 885.A N PHE 881.A O no hydrogen 3.109 N/A SER 886.A N LEU 882.A O no hydrogen 3.186 N/A SER 886.A OG LEU 882.A O no hydrogen 2.700 N/A SER 886.A OG ILE 883.A O no hydrogen 3.470 N/A SER 886.A OG ALA 889.A O no hydrogen 3.566 N/A LYS 887.A N VAL 884.A O no hydrogen 3.212 N/A LYS 887.A NZ ASP 821.A OD2 no hydrogen 3.536 N/A GLY 888.A N ILE 883.A O no hydrogen 2.635 N/A ALA 889.A N SER 886.A O no hydrogen 3.133 N/A GLN 890.A N GLN 890.A OE1 no hydrogen 2.729 N/A CYS 892.A SG ALA 889.A O no hydrogen 3.209 N/A CYS 892.A SG GLN 890.A O no hydrogen 3.787 N/A LYS 894.A NZ THR 893.A OG1 no hydrogen 2.705 N/A THR 895.A OG1 CYS 892.A O no hydrogen 3.059 N/A ARG 896.A NH2 GLU 899.A OE2 no hydrogen 3.301 N/A GLU 899.A N THR 895.A O no hydrogen 3.164 N/A ARG 900.A N ARG 896.A O no hydrogen 2.979 N/A PHE 901.A N GLU 897.A O no hydrogen 3.260 N/A PHE 901.A N PHE 898.A O no hydrogen 3.142 N/A GLN 902.A N PHE 898.A O no hydrogen 3.173 N/A GLN 902.A N GLU 899.A O no hydrogen 3.157 N/A GLU 903.A N GLU 899.A O no hydrogen 3.217 N/A MET 904.A N ARG 900.A O no hydrogen 3.169 N/A CYS 905.A N PHE 901.A O no hydrogen 3.216 N/A CYS 905.A SG ALA 832.A O no hydrogen 3.986 N/A CYS 905.A SG PHE 901.A O no hydrogen 3.692 N/A TYR 906.A N GLN 902.A O no hydrogen 2.947 N/A LYS 907.A N GLU 903.A O no hydrogen 3.396 N/A LYS 907.A NZ GLU 903.A O no hydrogen 3.349 N/A ALA 908.A N MET 904.A O no hydrogen 3.345 N/A TYR 909.A N CYS 905.A O no hydrogen 2.983 N/A TYR 909.A OH THR 946.A O no hydrogen 2.860 N/A LEU 910.A N TYR 906.A O no hydrogen 3.085 N/A ALA 911.A N LYS 907.A O no hydrogen 3.305 N/A ILE 912.A N ALA 908.A O no hydrogen 3.239 N/A ARG 913.A N TYR 909.A O no hydrogen 3.167 N/A ARG 913.A NE LEU 947.A O no hydrogen 3.027 N/A ARG 913.A NE ALA 948.A O no hydrogen 3.245 N/A ARG 913.A NH2 ALA 948.A O no hydrogen 2.755 N/A GLN 914.A N LEU 910.A O no hydrogen 3.162 N/A ILE 920.A N ALA 916.A O no hydrogen 3.170 N/A ASN 921.A N ASN 917.A O no hydrogen 3.090 N/A ASN 921.A ND2 GLU 534.A O no hydrogen 3.377 N/A LEU 922.A N LEU 918.A O no hydrogen 3.158 N/A PHE 923.A N PHE 919.A O no hydrogen 3.245 N/A SER 924.A N ILE 920.A O no hydrogen 3.164 N/A SER 924.A N ASN 921.A O no hydrogen 3.223 N/A SER 924.A OG ASP 541.A OD2 no hydrogen 2.234 N/A SER 924.A OG ASN 921.A O no hydrogen 3.087 N/A GLY 928.A N TYR 579.A OH no hydrogen 3.104 N/A SER 929.A OG MET 926.A O no hydrogen 2.430 N/A LEU 934.A N MET 931.A O no hydrogen 3.115 N/A GLN 935.A NE2 GLY 411.A O no hydrogen 2.341 N/A SER 936.A OG ASP 938.A OD1 no hydrogen 3.202 N/A ASP 939.A N SER 936.A O no hydrogen 3.090 N/A TYR 942.A N ASP 939.A O no hydrogen 3.385 N/A ILE 943.A N ILE 940.A O no hydrogen 2.927 N/A ARG 944.A N ILE 940.A O no hydrogen 3.459 N/A ARG 944.A NE ASP 476.A OD2 no hydrogen 3.248 N/A ARG 944.A NH2 ASP 476.A OD2 no hydrogen 3.464 N/A LYS 945.A N TYR 942.A O no hydrogen 3.059 N/A THR 946.A N TYR 942.A O no hydrogen 3.116 N/A THR 946.A OG1 ILE 840.A O no hydrogen 3.024 N/A THR 946.A OG1 ILE 943.A O no hydrogen 3.508 N/A LEU 947.A N ILE 943.A O no hydrogen 3.145 N/A ALA 948.A N LYS 945.A O no hydrogen 3.104 N/A LEU 949.A N ARG 944.A O no hydrogen 3.298 N/A GLU 955.A N THR 952.A OG1 no hydrogen 3.371 N/A ALA 956.A N THR 952.A O no hydrogen 3.003 N/A TYR 959.A N ALA 956.A O no hydrogen 2.964 N/A PHE 960.A N ALA 956.A O no hydrogen 3.059 N/A MET 961.A N LEU 957.A O no hydrogen 2.698 N/A LYS 962.A N GLU 958.A O no hydrogen 3.406 N/A GLN 963.A N TYR 959.A O no hydrogen 3.162 N/A MET 964.A N PHE 960.A O no hydrogen 3.065 N/A ASN 965.A N MET 961.A O no hydrogen 3.052 N/A ALA 967.A N MET 964.A O no hydrogen 3.260 N/A HIS 968.A N MET 964.A O no hydrogen 2.854 N/A HIS 969.A N ASN 965.A O no hydrogen 3.089 N/A HIS 969.A ND1 ALA 967.A O no hydrogen 3.048 N/A