Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pta_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N ALA 49.A O no hydrogen 3.088 N/A ARG 5.A NH2 ARG 6.A O no hydrogen 3.412 N/A ARG 6.A NH2 ARG 43.A O no hydrogen 3.079 N/A CYS 13.A N CYS 10.A O no hydrogen 3.334 N/A CYS 13.A SG CYS 7.A O no hydrogen 2.982 N/A GLN 14.A N GLU 11.A O no hydrogen 2.644 N/A GLN 15.A N GLU 11.A O no hydrogen 3.024 N/A LYS 25.A N CYS 21.A O no hydrogen 3.111 N/A ASP 26.A N LYS 22.A O no hydrogen 2.983 N/A ASP 26.A N ALA 23.A O no hydrogen 2.800 N/A PHE 30.A N MET 27.A O no hydrogen 3.440 N/A GLY 31.A N VAL 28.A O no hydrogen 3.356 N/A SER 33.A OG ASP 26.A OD2 no hydrogen 2.950 N/A GLY 34.A N ASP 26.A OD2 no hydrogen 3.320 N/A LYS 37.A N GLY 34.A O no hydrogen 3.274 N/A GLN 38.A NE2 LYS 37.A O no hydrogen 2.903 N/A ARG 43.A N CYS 40.A O no hydrogen 3.048 N/A ARG 43.A NH2 CYS 13.A O no hydrogen 3.315 N/A ASN 47.A ND2 GLU 835.A OE1 no hydrogen 2.695 N/A ALA 49.A N ARG 5.A O no hydrogen 2.848 N/A ASP 60.A N GLU 58.A OE1 no hydrogen 2.998 N/A LYS 71.A NZ HIS 73.A ND1 no hydrogen 3.167 N/A GLN 74.A N LYS 71.A O no hydrogen 3.036 N/A LYS 77.A NZ GLU 175.A OE1 no hydrogen 3.487 N/A LYS 77.A NZ GLU 175.A OE2 no hydrogen 2.718 N/A LYS 78.A N PRO 121.A O no hydrogen 3.110 N/A LYS 78.A NZ LYS 78.A O no hydrogen 2.711 N/A LYS 78.A NZ TYR 181.A O no hydrogen 2.932 N/A LYS 79.A NZ GLN 178.A OE1 no hydrogen 3.323 N/A GLN 80.A N SER 180.A O no hydrogen 3.094 N/A ASN 83.A N ASP 107.A OD1 no hydrogen 3.056 N/A ARG 84.A N ASP 107.A OD1 no hydrogen 3.395 N/A SER 86.A OG TRP 87.A O no hydrogen 3.340 N/A TRP 87.A NE1 GLU 138.A OE1 no hydrogen 2.983 N/A LYS 93.A NZ ASP 95.A OD1 no hydrogen 2.615 N/A LYS 93.A NZ ASP 95.A OD2 no hydrogen 3.316 N/A THR 94.A OG1 LYS 98.A O no hydrogen 2.669 N/A TYR 100.A N LYS 93.A O no hydrogen 3.342 N/A TYR 101.A N LEU 136.A O no hydrogen 3.000 N/A LYS 102.A NZ TYR 101.A O no hydrogen 3.506 N/A CYS 105.A N SER 86.A O no hydrogen 3.150 N/A CYS 105.A SG SER 86.A O no hydrogen 2.844 N/A ILE 106.A N GLU 109.A O no hydrogen 2.846 N/A ASP 107.A N ARG 84.A O no hydrogen 3.118 N/A GLU 109.A N ILE 106.A O no hydrogen 3.374 N/A LEU 111.A N VAL 104.A O no hydrogen 2.966 N/A GLU 112.A N ASP 115.A OD2 no hydrogen 2.969 N/A GLY 114.A N VAL 133.A O no hydrogen 3.052 N/A ASP 115.A N GLU 112.A O no hydrogen 2.722 N/A VAL 117.A N ALA 131.A O no hydrogen 2.884 N/A SER 118.A N SER 184.A O no hydrogen 2.968 N/A SER 118.A OG SER 184.A O no hydrogen 3.189 N/A VAL 119.A N TYR 129.A O no hydrogen 2.874 N/A SER 125.A N ASP 123.A OD2 no hydrogen 3.295 N/A LYS 126.A N ASP 123.A O no hydrogen 3.185 N/A TYR 129.A N VAL 119.A O no hydrogen 2.882 N/A ALA 131.A N VAL 117.A O no hydrogen 3.068 N/A ARG 132.A N HIS 149.A O no hydrogen 2.861 N/A VAL 133.A N ASP 115.A O no hydrogen 3.123 N/A THR 134.A N HIS 147.A O no hydrogen 2.833 N/A THR 134.A OG1 HIS 147.A O no hydrogen 3.230 N/A TRP 137.A N MET 145.A O no hydrogen 3.203 N/A GLU 138.A N SER 99.A O no hydrogen 3.125 N/A ASP 139.A N GLY 143.A O no hydrogen 2.880 N/A SER 140.A N LYS 97.A O no hydrogen 3.361 N/A SER 141.A N ASP 139.A OD1 no hydrogen 3.232 N/A SER 141.A OG ASN 142.A OD1 no hydrogen 3.283 N/A GLN 144.A NE2 ILE 85.A O no hydrogen 3.372 N/A MET 145.A N TRP 137.A O no hydrogen 3.351 N/A PHE 146.A N MET 177.A O no hydrogen 3.185 N/A HIS 147.A N ALA 135.A O no hydrogen 3.379 N/A ALA 148.A N GLU 175.A O no hydrogen 3.155 N/A TRP 150.A N GLU 173.A O no hydrogen 2.830 N/A PHE 151.A N LEU 130.A O no hydrogen 2.670 N/A CYS 152.A N PHE 169.A O no hydrogen 3.025 N/A CYS 152.A SG ALA 153.A O no hydrogen 3.395 N/A ASP 156.A N ALA 153.A O no hydrogen 3.225 N/A THR 157.A N GLY 154.A O no hydrogen 3.297 N/A THR 157.A OG1 GLY 154.A O no hydrogen 2.574 N/A GLY 160.A N THR 157.A O no hydrogen 2.524 N/A THR 162.A N LEU 159.A O no hydrogen 2.728 N/A THR 162.A OG1 LEU 159.A O no hydrogen 2.724 N/A GLU 167.A N ASP 164.A O no hydrogen 2.689 N/A LEU 168.A N PHE 210.A O no hydrogen 2.970 N/A PHE 169.A N CYS 152.A O no hydrogen 3.011 N/A LEU 170.A N LEU 213.A O no hydrogen 3.095 N/A CYS 174.A SG HIS 147.A NE2 no hydrogen 3.511 N/A CYS 174.A SG SER 241.A OG no hydrogen 2.924 N/A SER 180.A OG GLN 178.A O no hydrogen 3.362 N/A TYR 181.A N GLN 178.A O no hydrogen 2.794 N/A ILE 182.A N LEU 179.A O no hydrogen 2.992 N/A HIS 183.A N SER 118.A O no hydrogen 2.826 N/A LYS 185.A NZ THR 110.A O no hydrogen 3.110 N/A LYS 187.A NZ ASP 115.A OD1 no hydrogen 3.490 N/A ILE 189.A N TYR 209.A O no hydrogen 3.032 N/A LYS 191.A N TYR 211.A O no hydrogen 3.314 N/A ALA 192.A N TYR 190.A O no hydrogen 2.835 N/A ASN 196.A N SER 194.A OG no hydrogen 3.345 N/A TRP 197.A NE1 MET 598.A O no hydrogen 3.289 N/A MET 199.A N TRP 197.A O no hydrogen 2.512 N/A GLU 200.A N TRP 197.A O no hydrogen 3.006 N/A THR 208.A OG1 LYS 187.A O no hydrogen 3.288 N/A PHE 210.A N LEU 166.A O no hydrogen 3.051 N/A TYR 211.A N ILE 189.A O no hydrogen 3.056 N/A TRP 214.A N GLU 223.A O no hydrogen 2.853 N/A TRP 214.A NE1 ASP 172.A OD1 no hydrogen 2.577 N/A TYR 215.A N LEU 170.A O no hydrogen 2.814 N/A ASP 216.A N ARG 221.A O no hydrogen 3.085 N/A GLN 217.A N GLN 217.A OE1 no hydrogen 2.480 N/A ALA 220.A N ASP 216.A O no hydrogen 2.877 N/A ARG 221.A NH1 PRO 633.A O no hydrogen 3.415 N/A ARG 221.A NH2 GLU 223.A OE2 no hydrogen 3.435 N/A ARG 221.A NH2 PRO 633.A O no hydrogen 3.232 N/A PHE 222.A N CYS 602.A O no hydrogen 2.793 N/A GLU 223.A N TRP 214.A O no hydrogen 3.081 N/A SER 224.A N GLN 601.A OE1 no hydrogen 2.752 N/A SER 224.A OG PRO 628.A O no hydrogen 3.285 N/A THR 231.A N ASN 234.A OD1 no hydrogen 3.109 N/A THR 231.A OG1 ASP 233.A OD2 no hydrogen 2.483 N/A THR 231.A OG1 ASN 234.A OD1 no hydrogen 2.425 N/A ASP 233.A N THR 231.A OG1 no hydrogen 3.250 N/A LYS 235.A NZ THR 231.A O no hydrogen 2.562 N/A LYS 237.A N ASN 234.A O no hydrogen 2.728 N/A LYS 237.A NZ TYR 100.A OH no hydrogen 3.307 N/A ALA 243.A N CYS 239.A O no hydrogen 3.161 N/A ARG 244.A N VAL 240.A O no hydrogen 3.038 N/A ARG 244.A NE ASP 172.A OD1 no hydrogen 3.352 N/A ARG 244.A NE ASP 172.A OD2 no hydrogen 2.832 N/A LEU 245.A N SER 241.A O no hydrogen 2.882 N/A ALA 246.A N CYS 242.A O no hydrogen 2.694 N/A GLU 247.A N ALA 243.A O no hydrogen 2.990 N/A MET 248.A N ARG 244.A O no hydrogen 2.898 N/A ARG 249.A N LEU 245.A O no hydrogen 3.119 N/A GLN 250.A N ALA 246.A O no hydrogen 3.059 N/A LYS 251.A N GLU 247.A O no hydrogen 3.014 N/A GLU 252.A N MET 248.A O no hydrogen 3.267 N/A ILE 253.A N ARG 249.A O no hydrogen 3.490 N/A ARG 255.A N THR 273.A O no hydrogen 3.127 N/A ARG 255.A NE GLU 346.A OE2 no hydrogen 2.644 N/A LEU 257.A N SER 271.A O no hydrogen 2.856 N/A LEU 260.A N LEU 268.A O no hydrogen 2.619 N/A SER 265.A OG ASP 264.A O no hydrogen 2.585 N/A LEU 268.A N GLU 261.A O no hydrogen 2.871 N/A TYR 269.A N ILE 334.A O no hydrogen 2.502 N/A TYR 270.A N GLU 258.A O no hydrogen 3.132 N/A ALA 272.A N TYR 279.A O no hydrogen 3.121 N/A THR 273.A N ARG 255.A O no hydrogen 3.068 N/A THR 273.A OG1 ILE 277.A O no hydrogen 2.826 N/A LYS 274.A N ILE 277.A O no hydrogen 3.196 N/A LYS 274.A NZ LYS 389.A O no hydrogen 3.129 N/A LYS 274.A NZ VAL 391.A O no hydrogen 2.955 N/A ILE 277.A N LYS 274.A O no hydrogen 2.653 N/A TYR 279.A N ALA 272.A O no hydrogen 2.934 N/A ARG 280.A NE ASP 283.A OD1 no hydrogen 3.396 N/A VAL 281.A N TYR 270.A O no hydrogen 3.367 N/A ASP 283.A N ARG 280.A O no hydrogen 3.091 N/A ALA 291.A N PRO 288.A O no hydrogen 2.802 N/A THR 293.A OG1 PHE 294.A O no hydrogen 3.500 N/A SER 300.A OG LEU 298.A O no hydrogen 3.123 N/A TYR 310.A N ASP 306.A O no hydrogen 2.979 N/A HIS 313.A N TYR 310.A O no hydrogen 3.445 N/A ARG 315.A N GLU 312.A O no hydrogen 3.152 N/A ARG 315.A NH1 ASN 809.A OD1 no hydrogen 2.648 N/A LYS 316.A N HIS 313.A O no hydrogen 3.057 N/A LYS 316.A NZ GLY 741.A O no hydrogen 3.400 N/A LYS 316.A NZ ASP 746.A OD2 no hydrogen 3.073 N/A ALA 322.A N ASN 319.A O no hydrogen 3.297 N/A TYR 326.A N GLY 668.A O no hydrogen 2.660 N/A ARG 327.A N LEU 287.A O no hydrogen 2.698 N/A ARG 327.A NH1 GLU 324.A OE2 no hydrogen 3.375 N/A ARG 327.A NH2 PHE 292.A O no hydrogen 3.245 N/A GLY 329.A N VAL 285.A O no hydrogen 3.223 N/A ARG 330.A N ASN 354.A O no hydrogen 3.085 N/A ARG 330.A NE GLY 282.A O no hydrogen 3.363 N/A ARG 330.A NH1 ALA 438.A O no hydrogen 3.083 N/A ARG 330.A NH2 ALA 438.A O no hydrogen 3.286 N/A ILE 331.A N ASP 283.A O no hydrogen 3.316 N/A LYS 332.A N ARG 352.A O no hydrogen 2.888 N/A PHE 335.A N LYS 350.A O no hydrogen 3.452 N/A CYS 336.A N VAL 267.A O no hydrogen 3.201 N/A CYS 336.A SG TYR 269.A OH no hydrogen 3.605 N/A CYS 336.A SG PRO 337.A O no hydrogen 3.762 N/A GLY 342.A N LYS 339.A O no hydrogen 2.905 N/A ARG 343.A NH1 ASP 262.A OD1 no hydrogen 3.527 N/A THR 347.A N GLU 346.A OE1 no hydrogen 2.692 N/A LYS 350.A N PHE 335.A O no hydrogen 3.132 N/A ILE 351.A N VAL 386.A O no hydrogen 3.049 N/A ARG 352.A N GLU 333.A O no hydrogen 3.023 N/A ARG 352.A NE GLU 333.A OE1 no hydrogen 3.429 N/A VAL 353.A N ALA 384.A O no hydrogen 2.998 N/A ASN 354.A N ARG 330.A O no hydrogen 2.913 N/A LYS 355.A NZ ASN 354.A OD1 no hydrogen 3.564 N/A LYS 355.A NZ SER 380.A O no hydrogen 2.402 N/A LYS 355.A NZ GLU 382.A O no hydrogen 2.262 N/A PHE 356.A N ILE 328.A O no hydrogen 2.955 N/A TYR 357.A N TYR 378.A O no hydrogen 2.885 N/A TYR 357.A OH GLU 382.A OE1 no hydrogen 2.909 N/A TYR 357.A OH GLU 382.A OE2 no hydrogen 2.664 N/A ARG 358.A N ASN 361.A OD1 no hydrogen 3.331 N/A ARG 358.A NE TYR 326.A O no hydrogen 3.090 N/A ARG 358.A NH2 TYR 326.A O no hydrogen 2.986 N/A ARG 358.A NH2 PRO 669.A O no hydrogen 2.637 N/A GLU 360.A N GLU 360.A OE1 no hydrogen 2.570 N/A ASN 361.A N ARG 358.A O no hydrogen 2.686 N/A THR 362.A N PRO 359.A O no hydrogen 3.246 N/A THR 362.A OG1 PRO 359.A O no hydrogen 3.124 N/A HIS 363.A N TYR 424.A OH no hydrogen 3.130 N/A HIS 363.A ND1 TYR 424.A OH no hydrogen 3.049 N/A LYS 364.A N THR 362.A OG1 no hydrogen 3.285 N/A SER 365.A N THR 362.A O no hydrogen 2.995 N/A THR 366.A N SER 365.A OG no hydrogen 2.541 N/A ALA 368.A N SER 365.A O no hydrogen 2.873 N/A SER 369.A N THR 366.A O no hydrogen 2.986 N/A SER 369.A OG THR 366.A O no hydrogen 2.634 N/A TYR 370.A N PRO 367.A O no hydrogen 3.356 N/A ASN 375.A ND2 ARG 417.A O no hydrogen 3.311 N/A LEU 376.A N ASP 373.A O no hydrogen 2.885 N/A LEU 377.A N TYR 419.A O no hydrogen 3.092 N/A TRP 379.A N GLU 422.A O no hydrogen 3.154 N/A SER 380.A OG LYS 355.A O no hydrogen 2.872 N/A ALA 384.A N VAL 353.A O no hydrogen 3.029 N/A VAL 386.A N ILE 351.A O no hydrogen 3.139 N/A PHE 388.A N ILE 349.A O no hydrogen 2.785 N/A LYS 389.A NZ THR 347.A O no hydrogen 2.880 N/A LYS 389.A NZ ASP 387.A OD2 no hydrogen 3.186 N/A ALA 390.A N ASP 387.A O no hydrogen 2.662 N/A VAL 391.A N PHE 388.A O no hydrogen 3.100 N/A GLN 392.A N TYR 286.A O no hydrogen 3.019 N/A CYS 395.A N GLY 284.A O no hydrogen 3.395 N/A THR 396.A N ASN 416.A O no hydrogen 3.039 N/A GLU 398.A N PHE 418.A O no hydrogen 3.380 N/A GLY 400.A N PHE 420.A O no hydrogen 2.776 N/A GLU 405.A N LEU 403.A O no hydrogen 2.677 N/A VAL 409.A N CYS 406.A O no hydrogen 2.837 N/A TYR 410.A N CYS 406.A O no hydrogen 2.940 N/A TYR 410.A OH PHE 418.A O no hydrogen 3.044 N/A SER 411.A N VAL 407.A O no hydrogen 3.440 N/A ARG 417.A NH1 TYR 410.A O no hydrogen 3.105 N/A PHE 418.A N THR 396.A O no hydrogen 2.529 N/A TYR 419.A N ASN 375.A O no hydrogen 3.037 N/A PHE 420.A N GLU 398.A O no hydrogen 3.314 N/A ALA 423.A N GLU 432.A O no hydrogen 2.769 N/A TYR 424.A N TRP 379.A O no hydrogen 2.664 N/A TYR 424.A OH HIS 363.A ND1 no hydrogen 3.049 N/A ASN 425.A N SER 430.A O no hydrogen 3.019 N/A ASN 425.A ND2 SER 428.A OG no hydrogen 2.866 N/A SER 428.A OG SER 430.A OG no hydrogen 2.687 N/A LYS 429.A N ALA 426.A O no hydrogen 3.007 N/A SER 430.A N ASN 425.A O no hydrogen 3.296 N/A SER 430.A OG SER 428.A OG no hydrogen 2.687 N/A ALA 438.A N PRO 435.A O no hydrogen 3.373 N/A ARG 439.A N ASN 436.A O no hydrogen 3.436 N/A LEU 447.A N ILE 468.A O no hydrogen 3.171 N/A ARG 448.A N GLU 526.A OE1 no hydrogen 2.706 N/A ARG 448.A NE ASP 524.A O no hydrogen 2.719 N/A THR 449.A N ASP 470.A O no hydrogen 3.007 N/A THR 449.A OG1 LEU 447.A O no hydrogen 3.506 N/A LEU 450.A N MET 527.A O no hydrogen 2.935 N/A ASP 451.A N TRP 473.A O no hydrogen 2.974 N/A PHE 453.A N ILE 475.A O no hydrogen 2.815 N/A SER 454.A N ILE 475.A O no hydrogen 3.490 N/A SER 454.A OG GLY 455.A O no hydrogen 3.531 N/A GLY 455.A N GLU 476.A OE1 no hydrogen 2.652 N/A CYS 456.A SG GLN 879.A O no hydrogen 3.709 N/A GLY 457.A N SER 454.A O no hydrogen 2.933 N/A SER 460.A OG ASP 451.A OD2 no hydrogen 2.937 N/A GLU 461.A N GLY 457.A O no hydrogen 3.326 N/A GLY 462.A N GLY 458.A O no hydrogen 3.403 N/A GLY 462.A N LEU 459.A O no hydrogen 3.192 N/A HIS 464.A N SER 460.A O no hydrogen 3.118 N/A HIS 464.A NE2 THR 471.A OG1 no hydrogen 3.072 N/A GLN 465.A N GLY 462.A O no hydrogen 3.216 N/A ALA 466.A N GLY 462.A O no hydrogen 3.164 N/A ILE 468.A N PHE 463.A O no hydrogen 3.314 N/A THR 471.A OG1 HIS 464.A NE2 no hydrogen 3.072 N/A LEU 472.A N THR 449.A O no hydrogen 3.016 N/A ALA 474.A N THR 493.A O no hydrogen 3.516 N/A ILE 475.A N ASP 451.A O no hydrogen 3.270 N/A GLU 476.A N PHE 495.A O no hydrogen 3.185 N/A TRP 478.A N GLU 476.A OE2 no hydrogen 3.210 N/A ALA 482.A N TRP 478.A O no hydrogen 3.102 N/A GLN 483.A N ASP 479.A O no hydrogen 2.872 N/A ALA 484.A N PRO 480.A O no hydrogen 3.085 N/A PHE 485.A N ALA 481.A O no hydrogen 2.827 N/A ARG 486.A N ALA 482.A O no hydrogen 3.170 N/A ARG 486.A NH2 VAL 494.A O no hydrogen 2.906 N/A LEU 487.A N GLN 483.A O no hydrogen 3.229 N/A ASN 488.A N PHE 485.A O no hydrogen 2.815 N/A ASN 488.A ND2 ARG 868.A O no hydrogen 3.320 N/A ASN 489.A N PHE 485.A O no hydrogen 2.778 N/A ASN 489.A ND2 ASN 488.A O no hydrogen 2.692 N/A SER 492.A N ASN 489.A O no hydrogen 3.260 N/A SER 492.A OG ASN 489.A O no hydrogen 3.010 N/A PHE 495.A N ALA 474.A O no hydrogen 2.649 N/A THR 496.A OG1 GLU 476.A O no hydrogen 3.468 N/A GLU 497.A N PHE 495.A O no hydrogen 2.947 N/A CYS 499.A SG ASP 498.A OD2 no hydrogen 3.900 N/A ASN 500.A N ASP 498.A OD2 no hydrogen 3.261 N/A LEU 503.A N CYS 499.A O no hydrogen 3.358 N/A LYS 504.A NZ ILE 501.A O no hydrogen 3.254 N/A LEU 505.A N LEU 502.A O no hydrogen 2.626 N/A VAL 506.A N LEU 502.A O no hydrogen 3.018 N/A MET 507.A N LEU 503.A O no hydrogen 3.210 N/A GLY 509.A N VAL 506.A O no hydrogen 2.748 N/A THR 512.A OG1 ASN 513.A O no hydrogen 3.185 N/A THR 512.A OG1 GLN 517.A O no hydrogen 3.057 N/A ASN 513.A ND2 GLN 517.A OE1 no hydrogen 3.644 N/A GLY 516.A N ASN 513.A OD1 no hydrogen 3.291 N/A GLN 517.A N ASN 513.A OD1 no hydrogen 2.661 N/A ARG 518.A NH1 GLY 516.A O no hydrogen 3.142 N/A LEU 519.A N THR 511.A O no hydrogen 3.117 N/A GLN 521.A N ASP 524.A OD2 no hydrogen 2.621 N/A ASP 524.A N GLN 521.A O no hydrogen 2.770 N/A GLU 526.A N ARG 448.A O no hydrogen 2.810 N/A MET 527.A N ARG 448.A O no hydrogen 3.057 N/A LEU 528.A N PHE 570.A O no hydrogen 2.798 N/A CYS 529.A N LEU 450.A O no hydrogen 3.347 N/A CYS 529.A SG ASP 451.A OD1 no hydrogen 3.218 N/A GLY 530.A N LEU 572.A O no hydrogen 3.266 N/A SER 538.A OG CYS 534.A O no hydrogen 3.056 N/A TYR 548.A N ASN 544.A O no hydrogen 2.566 N/A SER 549.A N SER 545.A O no hydrogen 3.152 N/A LYS 550.A N ARG 546.A O no hydrogen 3.376 N/A LYS 550.A NZ LYS 550.A O no hydrogen 2.929 N/A PHE 551.A N TYR 548.A O no hydrogen 2.799 N/A LYS 552.A N TYR 548.A O no hydrogen 3.002 N/A ASN 553.A ND2 SER 549.A O no hydrogen 2.775 N/A SER 554.A N PHE 551.A O no hydrogen 2.758 N/A SER 554.A OG PHE 551.A O no hydrogen 2.676 N/A VAL 556.A N SER 554.A OG no hydrogen 3.309 N/A SER 558.A OG ASN 500.A OD1 no hydrogen 2.747 N/A SER 558.A OG SER 554.A O no hydrogen 3.037 N/A LEU 560.A N VAL 556.A O no hydrogen 3.093 N/A SER 561.A N VAL 557.A O no hydrogen 2.652 N/A SER 561.A OG VAL 557.A O no hydrogen 3.103 N/A TYR 562.A N SER 558.A O no hydrogen 3.064 N/A TYR 562.A OH CYS 499.A O no hydrogen 2.628 N/A CYS 563.A N PHE 559.A O no hydrogen 3.058 N/A ASP 564.A N SER 561.A O no hydrogen 2.869 N/A TYR 565.A N SER 561.A O no hydrogen 2.964 N/A TYR 566.A OH PRO 520.A O no hydrogen 2.560 N/A ARG 567.A NE ASP 564.A O no hydrogen 3.031 N/A ARG 567.A NE ASP 564.A OD1 no hydrogen 3.389 N/A ARG 567.A NH1 ASP 564.A OD1 no hydrogen 3.524 N/A ARG 569.A N GLU 526.A O no hydrogen 2.671 N/A ARG 569.A NH1 GLU 630.A OE1 no hydrogen 2.689 N/A PHE 571.A N ALA 625.A O no hydrogen 2.976 N/A LEU 572.A N LEU 528.A O no hydrogen 2.829 N/A LEU 573.A N ILE 623.A O no hydrogen 3.001 N/A GLU 574.A N GLY 530.A O no hydrogen 3.321 N/A ASN 575.A N ALA 621.A O no hydrogen 3.102 N/A ASN 575.A ND2 PRO 532.A O no hydrogen 2.605 N/A ASN 575.A ND2 GLU 574.A O no hydrogen 3.298 N/A VAL 576.A N ASN 575.A OD1 no hydrogen 3.061 N/A ARG 577.A NH2 SER 650.A O no hydrogen 3.404 N/A ASN 578.A ND2 GLU 58.A OE2 no hydrogen 2.869 N/A PHE 579.A N VAL 576.A O no hydrogen 3.317 N/A VAL 580.A N ARG 577.A O no hydrogen 3.184 N/A SER 581.A N ASN 578.A O no hydrogen 3.235 N/A SER 581.A OG ASP 60.A OD1 no hydrogen 3.066 N/A SER 581.A OG ASN 578.A O no hydrogen 3.308 N/A PHE 582.A N ASN 578.A O no hydrogen 3.013 N/A SER 585.A N SER 581.A O no hydrogen 2.821 N/A SER 585.A OG VAL 580.A O no hydrogen 3.217 N/A MET 586.A N LYS 583.A O no hydrogen 3.049 N/A LYS 589.A N SER 585.A O no hydrogen 3.117 N/A LYS 589.A NZ ASP 654.A OD2 no hydrogen 3.181 N/A LEU 590.A N MET 586.A O no hydrogen 2.850 N/A THR 591.A N VAL 587.A O no hydrogen 3.247 N/A THR 591.A OG1 VAL 587.A O no hydrogen 3.456 N/A THR 591.A OG1 LEU 588.A O no hydrogen 2.836 N/A LEU 592.A N LEU 588.A O no hydrogen 3.141 N/A ARG 593.A N LYS 589.A O no hydrogen 2.877 N/A CYS 594.A N LEU 590.A O no hydrogen 2.753 N/A LEU 595.A N THR 591.A O no hydrogen 3.319 N/A VAL 596.A N LEU 592.A O no hydrogen 2.705 N/A ARG 597.A N ARG 593.A O no hydrogen 2.889 N/A MET 598.A N CYS 594.A O no hydrogen 3.298 N/A MET 598.A N LEU 595.A O no hydrogen 3.112 N/A GLY 599.A N VAL 596.A O no hydrogen 2.805 N/A TYR 600.A N LEU 595.A O no hydrogen 3.004 N/A TYR 600.A OH PRO 568.A O no hydrogen 2.650 N/A GLN 601.A N ALA 626.A O no hydrogen 3.074 N/A GLN 601.A NE2 ALA 627.A O no hydrogen 2.967 N/A GLN 601.A NE2 GLU 630.A O no hydrogen 2.689 N/A THR 603.A N LEU 624.A O no hydrogen 2.902 N/A THR 603.A OG1 ALA 220.A O no hydrogen 3.323 N/A GLY 605.A N ILE 622.A O no hydrogen 3.071 N/A LEU 607.A N ARG 620.A O no hydrogen 3.044 N/A ALA 609.A N ARG 618.A O no hydrogen 3.292 N/A GLN 611.A N GLN 608.A O no hydrogen 2.645 N/A TYR 612.A N ALA 609.A O no hydrogen 3.104 N/A TYR 612.A OH PRO 636.A O no hydrogen 2.904 N/A GLY 613.A N GLY 610.A O no hydrogen 3.260 N/A VAL 614.A N GLY 610.A O no hydrogen 3.460 N/A THR 617.A N PHE 827.A O no hydrogen 3.195 N/A ARG 618.A NH2 GLY 881.A O no hydrogen 3.397 N/A ARG 620.A N LEU 607.A O no hydrogen 2.961 N/A ARG 620.A NE GLU 574.A OE2 no hydrogen 3.375 N/A ALA 621.A N ASN 575.A O no hydrogen 2.675 N/A ILE 622.A N GLY 605.A O no hydrogen 2.937 N/A ILE 623.A N LEU 573.A O no hydrogen 3.031 N/A LEU 624.A N THR 603.A O no hydrogen 3.105 N/A ALA 625.A N PHE 571.A O no hydrogen 2.911 N/A ALA 626.A N GLN 601.A O no hydrogen 2.631 N/A ALA 627.A N ARG 569.A O no hydrogen 2.771 N/A GLU 630.A N ALA 627.A O no hydrogen 2.993 N/A LYS 631.A NZ LEU 898.A O no hydrogen 2.836 N/A PHE 635.A N ASN 661.A OD1 no hydrogen 2.811 N/A LEU 639.A N GLN 611.A O no hydrogen 2.874 N/A HIS 640.A N GLN 611.A O no hydrogen 2.882 N/A HIS 640.A ND1 ARG 671.A O no hydrogen 2.819 N/A VAL 641.A N PHE 670.A O no hydrogen 3.121 N/A ALA 646.A N ALA 643.A O no hydrogen 2.992 N/A CYS 647.A SG ALA 643.A O no hydrogen 3.629 N/A GLN 648.A NE2 ASN 62.A OD1 no hydrogen 2.962 N/A VAL 651.A N PHE 658.A O no hydrogen 2.949 N/A VAL 653.A N LYS 656.A O no hydrogen 2.986 N/A PHE 658.A N VAL 651.A O no hydrogen 2.613 N/A VAL 659.A N ASP 218.A O no hydrogen 3.433 N/A ILE 662.A N SER 660.A OG no hydrogen 3.408 N/A THR 663.A N GLU 637.A OE1 no hydrogen 3.319 N/A THR 663.A N GLU 637.A OE2 no hydrogen 2.803 N/A ARG 664.A N GLU 637.A OE2 no hydrogen 3.198 N/A ARG 664.A NH1 PRO 638.A O no hydrogen 2.700 N/A SER 667.A N SER 666.A OG no hydrogen 2.567 N/A SER 667.A OG GLU 324.A O no hydrogen 3.321 N/A PHE 670.A N LEU 639.A O no hydrogen 2.826 N/A ARG 671.A NH1 ASP 677.A OD2 no hydrogen 3.299 N/A ARG 671.A NH2 ASP 677.A OD1 no hydrogen 3.214 N/A ARG 671.A NH2 ASP 677.A OD2 no hydrogen 2.968 N/A THR 672.A OG1 ILE 673.A O no hydrogen 3.555 N/A THR 674.A OG1 ASP 677.A OD1 no hydrogen 3.061 N/A ARG 676.A N TRP 823.A O no hydrogen 3.261 N/A ASP 677.A N THR 674.A OG1 no hydrogen 3.411 N/A THR 678.A N THR 674.A O no hydrogen 2.956 N/A THR 678.A OG1 THR 674.A O no hydrogen 2.934 N/A MET 679.A N VAL 675.A O no hydrogen 2.935 N/A SER 680.A OG ARG 676.A O no hydrogen 3.043 N/A VAL 685.A N GLN 848.A OE1 no hydrogen 2.693 N/A ALA 689.A N ARG 686.A O no hydrogen 3.043 N/A SER 690.A OG GLY 688.A O no hydrogen 2.815 N/A ILE 694.A N LEU 717.A O no hydrogen 3.336 N/A GLY 698.A N TYR 696.A O no hydrogen 2.704 N/A GLN 701.A N GLN 705.A OE1 no hydrogen 3.413 N/A SER 702.A OG TYR 370.A O no hydrogen 3.456 N/A SER 702.A OG GLN 701.A O no hydrogen 2.561 N/A GLN 705.A N SER 702.A O no hydrogen 3.021 N/A GLN 705.A NE2 ASP 677.A O no hydrogen 2.953 N/A GLN 705.A NE2 SER 680.A OG no hydrogen 2.624 N/A ARG 706.A N SER 702.A O no hydrogen 2.843 N/A ARG 706.A NH2 HIS 371.A O no hydrogen 2.888 N/A GLN 707.A N TRP 703.A O no hydrogen 3.162 N/A ARG 709.A N GLN 705.A O no hydrogen 2.786 N/A ARG 709.A NH1 GLY 698.A O no hydrogen 2.741 N/A ARG 709.A NH2 ASP 681.A OD1 no hydrogen 3.089 N/A ARG 709.A NH2 GLY 698.A O no hydrogen 3.259 N/A GLY 710.A N GLN 707.A O no hydrogen 2.993 N/A LEU 717.A N ILE 694.A O no hydrogen 2.812 N/A ASP 719.A N LEU 692.A O no hydrogen 2.715 N/A CYS 722.A SG LYS 723.A O no hydrogen 3.791 N/A LYS 723.A NZ ASN 47.A OD1 no hydrogen 3.225 N/A LYS 723.A NZ ASN 833.A OD1 no hydrogen 2.660 N/A LYS 723.A NZ PRO 834.A O no hydrogen 2.915 N/A LYS 723.A NZ GLU 835.A OE1 no hydrogen 2.879 N/A SER 726.A OG GLU 11.A OE1 no hydrogen 3.144 N/A SER 726.A OG GLU 11.A OE2 no hydrogen 3.309 N/A LEU 728.A N SER 726.A OG no hydrogen 3.288 N/A ALA 730.A N SER 726.A O no hydrogen 2.806 N/A ALA 731.A N LEU 728.A O no hydrogen 2.981 N/A ARG 732.A N LEU 728.A O no hydrogen 3.091 N/A ARG 732.A NH1 TYR 818.A OH no hydrogen 3.021 N/A ARG 732.A NH2 THR 798.A O no hydrogen 3.341 N/A MET 733.A N VAL 729.A O no hydrogen 2.886 N/A ARG 734.A N ALA 730.A O no hydrogen 3.130 N/A HIS 735.A N ALA 731.A O no hydrogen 3.192 N/A HIS 735.A N ARG 732.A O no hydrogen 3.211 N/A ILE 736.A N MET 733.A O no hydrogen 2.985 N/A SER 742.A N ALA 739.A O no hydrogen 2.990 N/A SER 742.A OG PRO 737.A O no hydrogen 2.986 N/A SER 742.A OG ALA 739.A O no hydrogen 2.626 N/A TRP 744.A N LEU 817.A O no hydrogen 3.426 N/A ARG 745.A NE ASP 743.A OD1 no hydrogen 2.831 N/A ARG 745.A NE ASP 743.A OD2 no hydrogen 3.318 N/A ARG 745.A NH1 ARG 315.A O no hydrogen 3.403 N/A ARG 745.A NH2 ASP 743.A OD1 no hydrogen 2.828 N/A ASP 746.A N ASP 743.A O no hydrogen 2.805 N/A LEU 747.A N TRP 744.A O no hydrogen 2.892 N/A ASN 749.A N LEU 309.A O no hydrogen 2.975 N/A ASN 749.A ND2 LEU 763.A O no hydrogen 3.656 N/A LEU 754.A N THR 758.A O no hydrogen 3.025 N/A SER 755.A OG ASP 756.A OD1 no hydrogen 3.530 N/A GLY 757.A N LEU 754.A O no hydrogen 2.839 N/A ALA 760.A N VAL 752.A O no hydrogen 3.260 N/A LYS 762.A NZ PRO 748.A O no hydrogen 3.532 N/A LYS 762.A NZ ASN 749.A OD1 no hydrogen 3.170 N/A LEU 763.A N ASN 749.A OD1 no hydrogen 3.281 N/A ARG 764.A N GLN 795.A OE1 no hydrogen 3.180 N/A TYR 765.A OH GLU 312.A OE2 no hydrogen 2.919 N/A THR 766.A OG1 HIS 767.A NE2 no hydrogen 3.114 N/A LYS 771.A N ASP 769.A OD1 no hydrogen 2.896 N/A ASN 772.A N ASP 769.A O no hydrogen 2.963 N/A ASN 772.A ND2 TYR 314.A OH no hydrogen 3.156 N/A ASN 772.A ND2 ASN 809.A OD1 no hydrogen 3.099 N/A GLY 773.A N ASP 769.A O no hydrogen 2.799 N/A SER 775.A N ALA 779.A O no hydrogen 2.634 N/A SER 777.A OG ASP 308.A OD1 no hydrogen 2.563 N/A SER 777.A OG ASP 308.A OD2 no hydrogen 2.774 N/A GLY 778.A N SER 775.A O no hydrogen 2.652 N/A ARG 781.A NH1 ASN 772.A O no hydrogen 3.084 N/A GLY 782.A N HIS 767.A O no hydrogen 3.260 N/A SER 785.A OG ALA 788.A O no hydrogen 3.156 N/A CYS 786.A SG HIS 806.A NE2 no hydrogen 3.418 N/A VAL 787.A N CYS 784.A O no hydrogen 3.262 N/A ALA 792.A N ASP 790.A OD2 no hydrogen 3.399 N/A ALA 793.A N ASP 790.A O no hydrogen 2.551 N/A ARG 794.A N PRO 791.A O no hydrogen 3.483 N/A ARG 794.A NH1 ALA 792.A O no hydrogen 3.194 N/A GLN 795.A NE2 ARG 764.A O no hydrogen 3.079 N/A THR 798.A OG1 ARG 761.A O no hydrogen 3.480 N/A TRP 802.A NE1 ALA 793.A O no hydrogen 3.009 N/A THR 807.A N CYS 803.A O no hydrogen 2.874 N/A GLY 808.A N LEU 804.A O no hydrogen 2.474 N/A ARG 810.A N THR 807.A O no hydrogen 2.884 N/A HIS 811.A N GLY 808.A O no hydrogen 3.534 N/A HIS 813.A N GLY 808.A O no hydrogen 3.078 N/A TRP 814.A N HIS 811.A O no hydrogen 3.213 N/A TRP 814.A NE1 THR 807.A OG1 no hydrogen 2.875 N/A GLY 816.A N ASP 743.A OD1 no hydrogen 3.230 N/A LEU 817.A N TRP 814.A O no hydrogen 3.076 N/A TYR 818.A N PRO 836.A O no hydrogen 2.823 N/A ARG 820.A N SER 742.A O no hydrogen 3.054 N/A ARG 820.A NE PRO 846.A O no hydrogen 3.169 N/A LEU 821.A N LEU 844.A O no hydrogen 2.816 N/A GLY 825.A N GLU 822.A O no hydrogen 2.707 N/A PHE 827.A N ALA 615.A O no hydrogen 3.224 N/A THR 829.A OG1 THR 617.A O no hydrogen 2.591 N/A THR 830.A OG1 GLN 616.A OE1 no hydrogen 2.654 N/A THR 830.A OG1 SER 860.A OG no hydrogen 2.928 N/A ASN 833.A ND2 ASN 47.A OD1 no hydrogen 3.392 N/A GLY 838.A N GLU 835.A O no hydrogen 2.552 N/A GLN 840.A NE2 THR 829.A O no hydrogen 2.580 N/A ARG 842.A NH1 SER 828.A OG no hydrogen 2.577 N/A ARG 842.A NH2 PHE 826.A O no hydrogen 3.281 N/A LEU 844.A N GLY 819.A O no hydrogen 3.035 N/A HIS 845.A N ARG 850.A O no hydrogen 2.956 N/A GLU 847.A N HIS 845.A ND1 no hydrogen 3.146 N/A ARG 850.A NE VAL 685.A O no hydrogen 2.904 N/A ARG 850.A NE GLN 848.A OE1 no hydrogen 3.025 N/A ARG 850.A NH1 GLU 856.A OE1 no hydrogen 3.426 N/A ARG 850.A NH1 GLU 856.A OE2 no hydrogen 3.083 N/A ARG 850.A NH2 VAL 851.A O no hydrogen 2.775 N/A ARG 850.A NH2 GLU 856.A OE1 no hydrogen 2.894 N/A VAL 852.A N VAL 843.A O no hydrogen 3.255 N/A SER 853.A N GLU 856.A OE1 no hydrogen 2.603 N/A SER 853.A OG HIS 720.A ND1 no hydrogen 3.193 N/A VAL 854.A N ILE 721.A O no hydrogen 3.146 N/A ARG 855.A N ASP 719.A O no hydrogen 2.893 N/A CYS 857.A N SER 853.A O no hydrogen 2.915 N/A CYS 857.A SG SER 853.A O no hydrogen 3.151 N/A ALA 858.A N VAL 854.A O no hydrogen 2.779 N/A ARG 859.A N ARG 855.A O no hydrogen 2.888 N/A ARG 859.A NE ASP 865.A OD1 no hydrogen 3.084 N/A ARG 859.A NE ASP 865.A OD2 no hydrogen 3.501 N/A ARG 859.A NH1 THR 678.A O no hydrogen 2.864 N/A ARG 859.A NH1 ASP 681.A OD2 no hydrogen 3.279 N/A ARG 859.A NH2 ASP 865.A OD2 no hydrogen 3.239 N/A SER 860.A N GLU 856.A O no hydrogen 2.888 N/A SER 860.A OG THR 830.A OG1 no hydrogen 2.928 N/A SER 860.A OG CYS 857.A O no hydrogen 2.420 N/A GLN 861.A N CYS 857.A O no hydrogen 3.077 N/A GLN 861.A NE2 VAL 880.A O no hydrogen 3.103 N/A ASP 865.A N LEU 708.A O no hydrogen 2.962 N/A TYR 867.A OH CYS 456.A O no hydrogen 2.581 N/A ARG 868.A N ASN 488.A OD1 no hydrogen 3.079 N/A PHE 870.A N GLN 879.A OE1 no hydrogen 3.425 N/A ASN 872.A N ASP 875.A OD1 no hydrogen 3.341 N/A ASP 875.A N ASN 872.A OD1 no hydrogen 2.658 N/A LYS 876.A N ASN 872.A O no hydrogen 2.987 N/A LYS 876.A NZ ASP 719.A OD2 no hydrogen 3.089 N/A LYS 876.A NZ GLY 871.A O no hydrogen 3.449 N/A HIS 877.A N ILE 873.A O no hydrogen 3.248 N/A ARG 878.A N LEU 874.A O no hydrogen 3.228 N/A GLN 879.A N ASP 875.A O no hydrogen 3.368 N/A VAL 880.A N LYS 876.A O no hydrogen 3.150 N/A GLY 881.A N HIS 877.A O no hydrogen 2.867 N/A ASN 882.A N ARG 878.A O no hydrogen 2.973 N/A ALA 883.A N GLN 879.A O no hydrogen 2.975 N/A LEU 888.A N PRO 885.A O no hydrogen 2.623 N/A ALA 889.A N PRO 885.A O no hydrogen 3.015 N/A LYS 890.A N PRO 886.A O no hydrogen 2.701 N/A ALA 891.A N PRO 887.A O no hydrogen 3.361 N/A ILE 892.A N LEU 888.A O no hydrogen 2.772 N/A GLY 893.A N ALA 889.A O no hydrogen 2.703 N/A GLY 893.A N LYS 890.A O no hydrogen 2.718 N/A LEU 894.A N LYS 890.A O no hydrogen 2.951 N/A ILE 896.A N GLY 893.A O no hydrogen 2.878 N/A LYS 897.A N GLY 893.A O no hydrogen 3.152 N/A LEU 898.A N LEU 894.A O no hydrogen 3.329 N/A CYS 899.A N ILE 896.A O no hydrogen 2.705 N/A CYS 899.A SG LYS 631.A O no hydrogen 3.237 N/A CYS 899.A SG GLU 895.A O no hydrogen 3.453 N/A MET 900.A N ILE 896.A O no hydrogen 3.087 N/A LEU 901.A N LYS 897.A O no hydrogen 3.025 N/A ALA 902.A N CYS 899.A O no hydrogen 3.149 N/A