Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6msd_f.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 8.A N ARG 6.A O no hydrogen 2.851 N/A VAL 11.A N LYS 8.A O no hydrogen 3.233 N/A GLN 12.A N LYS 8.A O no hydrogen 2.861 N/A GLN 14.A N VAL 11.A O no hydrogen 3.063 N/A GLN 15.A N GLN 12.A O no hydrogen 3.234 N/A SER 16.A N GLN 12.A O no hydrogen 2.835 N/A SER 16.A OG GLN 12.A O no hydrogen 3.322 N/A SER 16.A OG GLN 12.A OE1 no hydrogen 2.365 N/A ALA 19.A N GLN 15.A O no hydrogen 2.769 N/A GLY 23.A N ALA 20.A O no hydrogen 3.185 N/A THR 24.A OG1 ALA 20.A O no hydrogen 2.382 N/A GLU 32.A N SER 29.A O no hydrogen 3.290 N/A ARG 33.A N SER 29.A O no hydrogen 3.032 N/A ARG 34.A NE GLY 30.A O no hydrogen 2.835 N/A ALA 36.A N GLU 32.A O no hydrogen 2.457 N/A GLY 37.A N ARG 33.A O no hydrogen 2.970 N/A ASP 38.A N ASP 35.A O no hydrogen 2.975 N/A GLN 43.A N LYS 39.A O no hydrogen 3.017 N/A GLU 44.A N ASP 40.A O no hydrogen 2.572 N/A GLU 48.A N GLU 48.A OE1 no hydrogen 2.758 N/A LEU 59.A N LEU 56.A O no hydrogen 2.925 N/A VAL 60.A N LEU 56.A O no hydrogen 2.788 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.759 N/A LEU 63.A N VAL 60.A O no hydrogen 3.403 N/A GLY 64.A N VAL 60.A O no hydrogen 2.670 N/A GLU 65.A N GLU 61.A O no hydrogen 3.406 N/A ASP 67.A N LEU 63.A O no hydrogen 2.929 N/A THR 68.A N GLY 64.A O no hydrogen 2.529 N/A THR 68.A OG1 GLY 64.A O no hydrogen 2.534 N/A SER 69.A N GLU 65.A O no hydrogen 3.146 N/A LEU 70.A N ASP 67.A O no hydrogen 2.921 N/A TYR 71.A N THR 68.A O no hydrogen 3.097 N/A TYR 71.A OH ASP 35.A OD2 no hydrogen 3.276 N/A ARG 72.A N THR 68.A O no hydrogen 3.099 N/A SER 84.A N GLN 81.A O no hydrogen 3.080 N/A SER 84.A OG GLN 81.A O no hydrogen 2.512 N/A SER 85.A OG GLU 32.A OE2 no hydrogen 2.616 N/A THR 86.A N ILE 82.A O no hydrogen 3.304 N/A THR 86.A OG1 ILE 82.A O no hydrogen 2.571 N/A THR 87.A N ARG 83.A O no hydrogen 3.123 N/A THR 87.A OG1 ARG 83.A O no hydrogen 2.592 N/A THR 87.A OG1 MET 113.A O no hydrogen 3.202 N/A MET 89.A N THR 86.A O no hydrogen 3.071 N/A THR 90.A N THR 86.A O no hydrogen 2.878 N/A THR 90.A OG1 THR 86.A O no hydrogen 2.758 N/A SER 91.A OG THR 87.A O no hydrogen 3.063 N/A LYS 94.A NZ LEU 106.A O no hydrogen 3.365 N/A LEU 96.A N PRO 93.A O no hydrogen 2.779 N/A LYS 97.A N PRO 93.A O no hydrogen 2.616 N/A LYS 97.A NZ THR 90.A O no hydrogen 3.024 N/A PHE 98.A N LYS 94.A O no hydrogen 3.368 N/A LYS 105.A N HIS 102.A O no hydrogen 2.770 N/A GLU 111.A N LYS 107.A O no hydrogen 3.088 N/A ARG 120.A N GLU 117.A O no hydrogen 2.721 N/A ALA 122.A N LYS 119.A O no hydrogen 3.082 N/A ILE 126.A N ASP 49.A OD2 no hydrogen 3.505 N/A THR 132.A N SER 127.A O no hydrogen 3.263 N/A THR 132.A OG1 SER 127.A O no hydrogen 2.534 N/A SER 134.A N ALA 130.A O no hydrogen 2.535 N/A SER 134.A OG ALA 130.A O no hydrogen 2.903 N/A GLY 135.A N MET 131.A O no hydrogen 3.256 N/A GLU 136.A N THR 132.A O no hydrogen 3.186 N/A ARG 137.A N MET 133.A O no hydrogen 3.051 N/A ARG 137.A N SER 134.A O no hydrogen 3.259 N/A GLU 138.A N SER 134.A O no hydrogen 3.366 N/A CYS 139.A N GLY 135.A O no hydrogen 3.072 N/A TYR 142.A N ARG 137.A O no hydrogen 2.803 N/A TYR 142.A OH HIS 156.A NE2 no hydrogen 3.078 N/A TYR 142.A OH GLU 190.A OE1 no hydrogen 3.057 N/A LEU 144.A N LEU 140.A O no hydrogen 3.327 N/A VAL 145.A N LYS 141.A O no hydrogen 3.274 N/A GLY 146.A N TYR 142.A O no hydrogen 2.577 N/A SER 147.A OG ARG 143.A O no hydrogen 2.305 N/A GLU 149.A N VAL 145.A O no hydrogen 3.079 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.833 N/A HIS 156.A N SER 153.A O no hydrogen 2.826 N/A GLU 157.A N SER 153.A O no hydrogen 3.036 N/A ARG 160.A N HIS 156.A O no hydrogen 2.896 N/A LEU 162.A N TYR 158.A O no hydrogen 2.447 N/A ALA 163.A N VAL 159.A O no hydrogen 2.911 N/A GLY 164.A N HIS 161.A O no hydrogen 2.952 N/A GLU 165.A N HIS 161.A O no hydrogen 3.337 N/A LYS 168.A N GLY 164.A O no hydrogen 3.192 N/A LYS 168.A NZ ALA 204.A O no hydrogen 3.064 N/A TRP 170.A N VAL 166.A O no hydrogen 3.312 N/A GLN 171.A NE2 VAL 179.A O no hydrogen 3.364 N/A GLU 172.A N GLU 169.A O no hydrogen 3.175 N/A GLN 180.A NE2 ASP 215.A O no hydrogen 3.010 N/A GLN 180.A NE2 ASP 834.A O no hydrogen 3.691 N/A GLU 182.A N VAL 179.A O no hydrogen 2.962 N/A LEU 185.A N GLU 182.A O no hydrogen 3.024 N/A THR 186.A N GLU 182.A O no hydrogen 2.734 N/A THR 186.A OG1 GLU 182.A O no hydrogen 2.748 N/A THR 186.A OG1 GLU 182.A OE2 no hydrogen 2.362 N/A LEU 187.A N PRO 183.A O no hydrogen 3.390 N/A LYS 189.A N LEU 185.A O no hydrogen 3.455 N/A LYS 189.A NZ GLU 190.A OE2 no hydrogen 3.284 N/A MET 196.A N PRO 193.A O no hydrogen 3.396 N/A HIS 198.A N TYR 194.A O no hydrogen 2.827 N/A ASN 199.A N ASN 195.A O no hydrogen 2.711 N/A GLU 201.A N HIS 198.A O no hydrogen 2.910 N/A CYS 205.A N GLU 201.A O no hydrogen 3.116 N/A CYS 205.A SG GLN 213.A OE1 no hydrogen 3.187 N/A CYS 205.A SG GLU 242.A OE1 no hydrogen 3.308 N/A ASP 206.A N HIS 202.A O no hydrogen 2.745 N/A LEU 208.A N CYS 205.A O no hydrogen 3.311 N/A GLN 213.A NE2 GLU 242.A OE1 no hydrogen 3.136 N/A LEU 217.A N GLN 213.A O no hydrogen 2.788 N/A GLU 218.A N VAL 214.A O no hydrogen 3.027 N/A LYS 219.A N ASP 215.A O no hydrogen 3.119 N/A LYS 219.A NZ GLN 180.A O no hydrogen 3.360 N/A LYS 219.A NZ GLN 180.A OE1 no hydrogen 3.542 N/A ASP 220.A N MET 216.A O no hydrogen 3.002 N/A ILE 221.A N LEU 217.A O no hydrogen 3.264 N/A ASP 222.A N GLU 218.A O no hydrogen 2.907 N/A GLU 223.A N LYS 219.A O no hydrogen 3.182 N/A ASN 224.A N ASP 220.A O no hydrogen 2.538 N/A TYR 232.A N LYS 228.A O no hydrogen 2.459 N/A LEU 233.A N VAL 229.A O no hydrogen 2.717 N/A THR 234.A N CYS 230.A O no hydrogen 3.257 N/A THR 234.A N LEU 231.A O no hydrogen 3.217 N/A THR 234.A OG1 CYS 230.A O no hydrogen 2.845 N/A SER 235.A N LEU 231.A O no hydrogen 2.839 N/A SER 235.A OG ASN 224.A OD1 no hydrogen 2.566 N/A SER 235.A OG LEU 231.A O no hydrogen 2.716 N/A CYS 236.A SG TYR 232.A O no hydrogen 3.377 N/A ASN 238.A N THR 234.A O no hydrogen 3.305 N/A ASN 238.A ND2 ASN 195.A OD1 no hydrogen 3.088 N/A VAL 240.A N VAL 237.A O no hydrogen 3.350 N/A GLU 244.A N PRO 241.A O no hydrogen 2.821 N/A ASN 245.A N PRO 241.A O no hydrogen 2.406 N/A ASN 245.A ND2 HIS 202.A NE2 no hydrogen 3.079 N/A SER 246.A OG GLU 242.A O no hydrogen 2.304 N/A SER 246.A OG GLU 242.A OE1 no hydrogen 3.407 N/A ALA 247.A N GLU 242.A O no hydrogen 3.097 N/A ARG 250.A NH1 ILE 281.A O no hydrogen 3.372 N/A ARG 250.A NH2 ILE 281.A O no hydrogen 3.073 N/A CYS 251.A SG VAL 872.A O no hydrogen 3.241 N/A ARG 257.A NH1 ALA 252.A O no hydrogen 2.915 N/A ARG 257.A NH2 TYR 239.A O no hydrogen 3.140 N/A ARG 257.A NH2 VAL 240.A O no hydrogen 3.013 N/A LYS 258.A N GLY 254.A O no hydrogen 3.294 N/A LYS 258.A NZ MET 297.A O no hydrogen 3.302 N/A SER 260.A N ARG 257.A O no hydrogen 2.964 N/A SER 260.A OG GLU 264.A OE1 no hydrogen 3.550 N/A LEU 268.A N ALA 265.A O no hydrogen 3.037 N/A MET 271.A N ARG 267.A O no hydrogen 2.450 N/A LEU 272.A N LEU 268.A O no hydrogen 2.814 N/A ASN 273.A N ALA 269.A O no hydrogen 2.450 N/A ASP 274.A N LEU 270.A O no hydrogen 2.918 N/A MET 275.A N MET 271.A O no hydrogen 2.995 N/A GLU 276.A N LEU 272.A O no hydrogen 2.735 N/A LEU 277.A N ASN 273.A O no hydrogen 3.233 N/A GLU 279.A N MET 275.A O no hydrogen 3.514 N/A CYS 285.A SG ILE 281.A O no hydrogen 3.255 N/A LYS 286.A NZ GLU 279.A O no hydrogen 3.182 N/A LYS 286.A NZ ASP 280.A OD1 no hydrogen 3.078 N/A ASP 287.A N THR 283.A O no hydrogen 2.487 N/A VAL 288.A N SER 284.A O no hydrogen 3.326 N/A VAL 289.A N CYS 285.A O no hydrogen 3.253 N/A GLN 291.A N VAL 288.A O no hydrogen 3.291 N/A LYS 292.A NZ VAL 288.A O no hydrogen 2.476 N/A ARG 300.A NH2 SER 492.A O no hydrogen 3.362 N/A ARG 300.A NH2 ILE 525.A O no hydrogen 2.876 N/A PHE 304.A N HIS 301.A O no hydrogen 3.330 N/A SER 308.A OG GLU 309.A OE1 no hydrogen 3.031 N/A SER 308.A OG GLU 309.A OE2 no hydrogen 3.123 N/A VAL 311.A N GLU 309.A O no hydrogen 2.781 N/A ILE 320.A N ASP 316.A O no hydrogen 2.473 N/A MET 321.A N LEU 317.A O no hydrogen 2.746 N/A SER 322.A N THR 318.A O no hydrogen 3.188 N/A VAL 324.A N GLU 319.A O no hydrogen 2.990 N/A LEU 326.A N SER 322.A O no hydrogen 2.699 N/A ASN 327.A N ASN 323.A O no hydrogen 2.741 N/A ASN 327.A ND2 ASN 327.A O no hydrogen 2.840 N/A SER 328.A N VAL 324.A O no hydrogen 2.723 N/A ASN 329.A N GLN 325.A O no hydrogen 2.637 N/A ASN 329.A ND2 TRP 420.A O no hydrogen 2.528 N/A PHE 330.A N LEU 326.A O no hydrogen 2.576 N/A LEU 331.A N ASN 327.A O no hydrogen 2.862 N/A LEU 333.A N ASN 329.A O no hydrogen 2.850 N/A ALA 334.A N PHE 330.A O no hydrogen 3.204 N/A GLU 336.A N LEU 331.A O no hydrogen 2.975 N/A ASP 338.A N ALA 334.A O no hydrogen 3.362 N/A GLU 341.A N GLU 336.A O no hydrogen 3.274 N/A THR 351.A OG1 ASP 347.A O no hydrogen 2.337 N/A HIS 352.A N ILE 348.A O no hydrogen 3.195 N/A ARG 357.A N GLU 354.A O no hydrogen 3.182 N/A PHE 358.A N GLU 354.A O no hydrogen 2.612 N/A ARG 369.A NH2 VAL 791.A O no hydrogen 2.636 N/A ASN 371.A N ALA 368.A O no hydrogen 3.241 N/A LEU 372.A N ARG 369.A O no hydrogen 3.283 N/A SER 374.A N MET 370.A O no hydrogen 2.887 N/A SER 374.A OG MET 370.A O no hydrogen 2.997 N/A SER 375.A OG LEU 372.A O no hydrogen 2.682 N/A PHE 376.A N ALA 373.A O no hydrogen 2.943 N/A GLY 379.A N SER 375.A O no hydrogen 2.654 N/A GLY 386.A N ASN 382.A O no hydrogen 3.124 N/A LYS 389.A NZ GLN 428.A OE1 no hydrogen 2.608 N/A GLY 395.A N ASP 394.A OD1 no hydrogen 2.747 N/A LYS 397.A N ASP 393.A O no hydrogen 2.913 N/A LEU 399.A N ASN 396.A O no hydrogen 3.170 N/A LYS 401.A NZ ASN 402.A OD1 no hydrogen 3.041 N/A HIS 405.A N ASP 404.A OD1 no hydrogen 2.700 N/A HIS 405.A ND1 ASP 404.A OD1 no hydrogen 2.885 N/A GLY 406.A N LYS 403.A O no hydrogen 2.788 N/A MET 407.A N LYS 403.A O no hydrogen 2.667 N/A LEU 408.A N ASP 404.A O no hydrogen 3.181 N/A SER 409.A OG HIS 405.A O no hydrogen 2.851 N/A ALA 410.A N GLY 406.A O no hydrogen 2.881 N/A ALA 412.A N LEU 408.A O no hydrogen 3.055 N/A SER 413.A N SER 409.A O no hydrogen 2.937 N/A SER 413.A OG SER 409.A O no hydrogen 3.404 N/A SER 413.A OG ALA 410.A O no hydrogen 2.889 N/A LEU 414.A N ALA 411.A O no hydrogen 3.265 N/A GLY 415.A N ALA 412.A O no hydrogen 3.355 N/A ILE 417.A N LEU 414.A O no hydrogen 3.260 N/A LEU 418.A N LEU 414.A O no hydrogen 3.335 N/A ASP 421.A N VAL 451.A O no hydrogen 2.960 N/A GLY 424.A N ASP 423.A OD1 no hydrogen 2.666 N/A THR 427.A OG1 GLY 424.A O no hydrogen 2.556 N/A GLN 428.A N GLY 424.A O no hydrogen 3.308 N/A TYR 432.A N ILE 429.A O no hydrogen 2.996 N/A TYR 432.A OH ASN 396.A OD1 no hydrogen 3.410 N/A LYS 441.A N GLU 437.A O no hydrogen 3.398 N/A LYS 441.A NZ LEU 433.A O no hydrogen 3.068 N/A SER 442.A OG ASP 438.A O no hydrogen 3.110 N/A ALA 444.A N ILE 440.A O no hydrogen 3.027 N/A LEU 445.A N LYS 441.A O no hydrogen 2.562 N/A ALA 447.A N GLY 443.A O no hydrogen 3.159 N/A CYS 448.A N LEU 445.A O no hydrogen 3.349 N/A CYS 448.A SG ALA 444.A O no hydrogen 3.448 N/A ILE 450.A N ALA 447.A O no hydrogen 3.099 N/A VAL 451.A N ALA 447.A O no hydrogen 3.278 N/A ASN 452.A ND2 ASP 460.A OD1 no hydrogen 3.446 N/A SER 453.A N ILE 450.A O no hydrogen 3.380 N/A VAL 455.A N ASN 452.A O no hydrogen 2.994 N/A CYS 459.A N ASN 457.A O no hydrogen 2.966 N/A CYS 459.A SG ASP 460.A OD1 no hydrogen 3.450 N/A SER 467.A OG LEU 463.A O no hydrogen 3.332 N/A SER 467.A OG ALA 464.A O no hydrogen 2.338 N/A ASP 468.A N ALA 464.A O no hydrogen 2.779 N/A TYR 469.A N LEU 465.A O no hydrogen 2.996 N/A VAL 470.A N LEU 466.A O no hydrogen 3.088 N/A LEU 471.A N ASP 468.A O no hydrogen 3.307 N/A HIS 472.A N TYR 469.A O no hydrogen 3.350 N/A HIS 472.A ND1 TYR 469.A O no hydrogen 2.322 N/A SER 474.A OG ASN 473.A OD1 no hydrogen 3.409 N/A THR 476.A OG1 ASP 438.A OD2 no hydrogen 2.620 N/A MET 477.A N ASP 438.A OD1 no hydrogen 3.085 N/A ARG 478.A N ASN 475.A O no hydrogen 2.901 N/A GLY 480.A N THR 476.A O no hydrogen 2.471 N/A SER 481.A OG LEU 465.A O no hydrogen 2.350 N/A ILE 482.A N LEU 479.A O no hydrogen 3.432 N/A GLY 486.A N ILE 482.A O no hydrogen 3.386 N/A LEU 487.A N PHE 483.A O no hydrogen 3.218 N/A ALA 488.A N GLY 484.A O no hydrogen 2.914 N/A TYR 489.A N LEU 485.A O no hydrogen 2.845 N/A ALA 490.A N LEU 487.A O no hydrogen 3.420 N/A SER 492.A N TYR 489.A O no hydrogen 3.243 N/A ARG 494.A NE ASP 496.A OD1 no hydrogen 2.988 N/A ARG 494.A NH2 ASP 496.A OD1 no hydrogen 3.444 N/A ARG 494.A NH2 ASP 496.A OD2 no hydrogen 2.796 N/A VAL 497.A N ASP 496.A OD1 no hydrogen 2.666 N/A THR 499.A N GLU 495.A O no hydrogen 2.947 N/A THR 499.A N ASP 496.A O no hydrogen 2.917 N/A THR 499.A OG1 GLU 495.A O no hydrogen 3.072 N/A THR 499.A OG1 ASP 496.A O no hydrogen 2.434 N/A LEU 500.A N ASP 496.A O no hydrogen 2.741 N/A LEU 501.A N VAL 497.A O no hydrogen 2.955 N/A GLY 506.A N LEU 502.A O no hydrogen 2.946 N/A GLU 513.A N GLU 513.A OE1 no hydrogen 2.780 N/A ALA 515.A N SER 511.A O no hydrogen 3.282 N/A GLY 516.A N MET 512.A O no hydrogen 2.983 N/A THR 518.A OG1 VAL 514.A O no hydrogen 2.575 N/A ALA 521.A N THR 518.A O no hydrogen 3.171 N/A CYS 522.A N THR 518.A O no hydrogen 3.163 N/A CYS 522.A SG THR 518.A O no hydrogen 3.503 N/A CYS 522.A SG ALA 519.A O no hydrogen 3.563 N/A GLY 523.A N ALA 519.A O no hydrogen 3.122 N/A ILE 525.A N CYS 522.A O no hydrogen 3.080 N/A CYS 530.A SG GLU 495.A OE2 no hydrogen 3.255 N/A CYS 530.A SG ASP 533.A OD2 no hydrogen 3.301 N/A ASN 531.A ND2 ASN 531.A O no hydrogen 2.776 N/A ASP 533.A N CYS 530.A O no hydrogen 3.066 N/A THR 535.A N ASN 531.A O no hydrogen 2.712 N/A THR 535.A OG1 ASN 531.A O no hydrogen 3.067 N/A SER 536.A N GLY 532.A O no hydrogen 2.807 N/A SER 536.A OG GLY 532.A O no hydrogen 3.287 N/A SER 536.A OG ASP 533.A O no hydrogen 2.655 N/A THR 537.A N ASP 533.A O no hydrogen 2.846 N/A THR 537.A OG1 ASP 533.A O no hydrogen 3.177 N/A THR 537.A OG1 VAL 534.A O no hydrogen 3.086 N/A ILE 538.A N VAL 534.A O no hydrogen 3.419 N/A LEU 539.A N THR 535.A O no hydrogen 3.304 N/A GLN 540.A NE2 GLU 544.A OE1 no hydrogen 3.428 N/A GLN 540.A NE2 GLU 544.A OE2 no hydrogen 3.134 N/A THR 541.A N THR 537.A O no hydrogen 3.138 N/A THR 541.A OG1 THR 537.A O no hydrogen 2.525 N/A ILE 542.A N ILE 538.A O no hydrogen 3.091 N/A MET 543.A N LEU 539.A O no hydrogen 2.796 N/A GLU 544.A N GLN 540.A O no hydrogen 2.984 N/A LYS 545.A N THR 541.A O no hydrogen 2.866 N/A LYS 545.A NZ PHE 587.A O no hydrogen 3.410 N/A SER 546.A OG ILE 542.A O no hydrogen 2.318 N/A TYR 554.A N LYS 551.A O no hydrogen 3.362 N/A ARG 556.A N ASP 552.A O no hydrogen 2.459 N/A ARG 556.A NE ASP 552.A O no hydrogen 3.559 N/A ARG 556.A NH1 ASP 784.A O no hydrogen 2.701 N/A TRP 557.A N TYR 554.A O no hydrogen 3.416 N/A LEU 558.A N TYR 554.A O no hydrogen 2.972 N/A LEU 560.A N TRP 557.A O no hydrogen 3.268 N/A LEU 562.A N PRO 559.A O no hydrogen 3.309 N/A LEU 564.A N LEU 560.A O no hydrogen 3.424 N/A ASN 565.A N GLY 561.A O no hydrogen 2.948 N/A ASN 565.A ND2 SER 529.A O no hydrogen 3.403 N/A ASN 565.A ND2 ASN 565.A O no hydrogen 2.699 N/A HIS 566.A N GLY 563.A O no hydrogen 3.307 N/A GLY 568.A N CYS 598.A O no hydrogen 3.231 N/A LYS 569.A N ALA 599.A O no hydrogen 2.514 N/A LYS 569.A NZ VAL 527.A O no hydrogen 3.204 N/A LYS 569.A NZ LEU 567.A O no hydrogen 2.849 N/A LEU 577.A N ILE 573.A O no hydrogen 2.783 N/A ALA 578.A N GLU 574.A O no hydrogen 2.974 N/A ALA 579.A N ALA 575.A O no hydrogen 3.387 N/A GLU 581.A N ALA 578.A O no hydrogen 3.212 N/A SER 584.A OG VAL 582.A O no hydrogen 2.641 N/A SER 584.A OG GLU 585.A O no hydrogen 3.301 N/A SER 584.A OG SER 589.A OG no hydrogen 2.996 N/A PHE 587.A N GLU 585.A OE1 no hydrogen 2.945 N/A SER 589.A N GLU 585.A O no hydrogen 2.719 N/A SER 589.A OG SER 584.A O no hydrogen 3.467 N/A SER 589.A OG SER 584.A OG no hydrogen 2.996 N/A SER 589.A OG GLU 585.A O no hydrogen 3.333 N/A ASN 592.A N SER 589.A O no hydrogen 3.267 N/A CYS 598.A N LEU 594.A O no hydrogen 3.324 N/A CYS 598.A SG LEU 594.A O no hydrogen 3.207 N/A TYR 600.A N VAL 597.A O no hydrogen 2.781 N/A SER 603.A OG GLY 602.A O no hydrogen 2.638 N/A LYS 608.A N ASN 605.A O no hydrogen 2.508 N/A GLN 610.A N VAL 606.A O no hydrogen 3.076 N/A LEU 612.A N VAL 609.A O no hydrogen 3.131 N/A LEU 613.A N GLN 610.A O no hydrogen 3.375 N/A HIS 614.A N GLN 610.A O no hydrogen 2.917 N/A SER 617.A OG LEU 613.A O no hydrogen 3.014 N/A LYS 625.A N ASP 621.A OD1 no hydrogen 3.275 N/A LYS 625.A N ASP 621.A OD2 no hydrogen 2.748 N/A GLU 627.A N GLU 627.A OE1 no hydrogen 2.884 N/A LYS 629.A N LYS 625.A O no hydrogen 2.790 N/A LYS 629.A NZ ASP 621.A OD2 no hydrogen 2.897 N/A ASP 630.A N GLU 626.A O no hydrogen 2.917 N/A LYS 631.A N GLU 627.A O no hydrogen 2.965 N/A LYS 631.A NZ SER 783.A OG no hydrogen 2.952 N/A LYS 632.A N ASP 628.A O no hydrogen 2.404 N/A GLU 633.A N LYS 629.A O no hydrogen 3.073 N/A LYS 634.A N ASP 630.A O no hydrogen 2.749 N/A LYS 635.A N LYS 631.A O no hydrogen 3.114 N/A LYS 635.A NZ THR 593.A O no hydrogen 2.364 N/A LYS 635.A NZ LEU 594.A O no hydrogen 2.433 N/A ASP 636.A N GLU 633.A O no hydrogen 2.873 N/A LYS 637.A N LYS 634.A O no hydrogen 3.280 N/A LYS 639.A N ALA 601.A O no hydrogen 3.153 N/A LYS 639.A NZ TYR 600.A O no hydrogen 3.307 N/A LYS 639.A NZ ASN 605.A OD1 no hydrogen 3.302 N/A GLY 651.A N ALA 648.A O no hydrogen 3.411 N/A VAL 652.A N ALA 648.A O no hydrogen 3.448 N/A ALA 653.A N HIS 649.A O no hydrogen 3.382 N/A VAL 654.A N GLY 651.A O no hydrogen 2.942 N/A LEU 655.A N GLY 651.A O no hydrogen 2.937 N/A ILE 657.A N VAL 654.A O no hydrogen 3.048 N/A ALA 658.A N VAL 654.A O no hydrogen 2.688 N/A LEU 659.A N LEU 655.A O no hydrogen 3.313 N/A ILE 660.A N LEU 655.A O no hydrogen 3.409 N/A GLU 669.A N GLU 665.A O no hydrogen 3.281 N/A MET 670.A N ILE 666.A O no hydrogen 3.384 N/A ARG 673.A N MET 670.A O no hydrogen 3.113 N/A PHE 675.A N LEU 672.A O no hydrogen 3.096 N/A HIS 677.A N THR 674.A O no hydrogen 2.804 N/A HIS 677.A ND1 LYS 637.A O no hydrogen 2.616 N/A LEU 678.A N THR 674.A O no hydrogen 2.458 N/A ARG 687.A N GLU 683.A O no hydrogen 3.068 N/A ARG 688.A N PRO 684.A O no hydrogen 3.381 N/A ALA 693.A N VAL 690.A O no hydrogen 2.808 N/A LEU 694.A N PRO 691.A O no hydrogen 3.237 N/A ALA 695.A N PRO 691.A O no hydrogen 3.073 N/A SER 698.A OG ILE 697.A O no hydrogen 2.502 N/A ASN 705.A N PRO 702.A O no hydrogen 2.736 N/A ASN 705.A ND2 GLU 669.A OE2 no hydrogen 2.909 N/A ILE 706.A N ASN 705.A OD1 no hydrogen 2.527 N/A LEU 707.A N ARG 703.A O no hydrogen 3.029 N/A ASP 708.A N LEU 704.A O no hydrogen 2.435 N/A THR 709.A N ASN 705.A O no hydrogen 3.327 N/A THR 709.A OG1 ILE 706.A O no hydrogen 2.319 N/A PHE 713.A N LEU 710.A O no hydrogen 3.323 N/A ASN 724.A N VAL 721.A O no hydrogen 2.966 N/A ILE 726.A N TYR 723.A O no hydrogen 3.280 N/A PHE 727.A N TYR 723.A O no hydrogen 2.786 N/A GLY 730.A N ILE 726.A O no hydrogen 2.373 N/A MET 731.A N PHE 727.A O no hydrogen 2.664 N/A VAL 732.A N ALA 728.A O no hydrogen 3.318 N/A SER 734.A OG MET 731.A O no hydrogen 3.277 N/A THR 736.A OG1 VAL 732.A O no hydrogen 2.515 N/A LEU 745.A N ALA 742.A O no hydrogen 2.720 N/A ARG 746.A N ALA 742.A O no hydrogen 2.988 N/A ARG 746.A NE ALA 742.A O no hydrogen 2.511 N/A ARG 746.A NH1 GLY 733.A O no hydrogen 2.497 N/A LEU 748.A N MET 744.A O no hydrogen 3.017 N/A ALA 749.A N LEU 745.A O no hydrogen 2.791 N/A GLN 750.A N ARG 746.A O no hydrogen 2.879 N/A TYR 751.A N GLN 747.A O no hydrogen 2.905 N/A HIS 752.A N ALA 749.A O no hydrogen 3.378 N/A HIS 752.A NE2 HIS 715.A O no hydrogen 2.923 N/A LYS 754.A NZ ASN 757.A OD1 no hydrogen 2.948 N/A MET 761.A N ASN 808.A O no hydrogen 2.945 N/A GLN 766.A N HIS 770.A O no hydrogen 2.692 N/A THR 769.A OG1 THR 769.A O no hydrogen 2.539 N/A HIS 770.A N GLN 766.A O no hydrogen 3.040 N/A GLY 774.A N ASP 805.A OD2 no hydrogen 2.650 N/A THR 777.A N GLY 774.A O no hydrogen 3.377 N/A THR 777.A OG1 ASP 805.A OD2 no hydrogen 2.392 N/A LEU 778.A N THR 775.A O no hydrogen 3.184 N/A CYS 779.A N THR 775.A O no hydrogen 2.891 N/A TYR 781.A N LEU 778.A O no hydrogen 3.223 N/A SER 783.A N CYS 779.A O no hydrogen 3.164 N/A SER 783.A OG ARG 556.A O no hydrogen 3.370 N/A ASP 784.A N TYR 781.A O no hydrogen 2.903 N/A ARG 785.A NE ASP 784.A OD2 no hydrogen 3.361 N/A ARG 785.A NH1 GLN 790.A O no hydrogen 3.374 N/A ARG 785.A NH2 ASP 784.A OD2 no hydrogen 2.579 N/A ARG 785.A NH2 GLN 790.A O no hydrogen 2.950 N/A SER 789.A OG MET 788.A O no hydrogen 2.612 N/A THR 798.A N GLY 795.A O no hydrogen 2.901 N/A VAL 799.A N GLY 795.A O no hydrogen 2.646 N/A SER 802.A OG THR 777.A O no hydrogen 3.235 N/A SER 814.A OG LEU 821.A O no hydrogen 2.701 N/A SER 814.A OG VAL 822.A O no hydrogen 2.385 N/A TYR 819.A N TYR 816.A O no hydrogen 2.632 N/A MET 825.A N VAL 850.A O no hydrogen 2.867 N/A ARG 828.A NH2 SER 843.A O no hydrogen 2.737 N/A ASP 834.A N GLU 836.A OE2 no hydrogen 3.157 N/A VAL 850.A N MET 825.A O no hydrogen 3.139 N/A GLY 854.A N VAL 852.A O no hydrogen 2.684 N/A THR 861.A N ARG 828.A O no hydrogen 3.277 N/A HIS 868.A N PHE 865.A O no hydrogen 3.381 N/A THR 869.A OG1 HIS 868.A O no hydrogen 2.580 N/A ARG 879.A N GLY 877.A O no hydrogen 2.705 N/A