Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6drd_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 10.A N LEU 6.A O no hydrogen 3.294 N/A CYS 11.A N TRP 7.A O no hydrogen 2.937 N/A CYS 11.A SG TRP 7.A O no hydrogen 3.645 N/A CYS 11.A SG GLN 8.A O no hydrogen 3.336 N/A ILE 13.A N ALA 10.A O no hydrogen 2.966 N/A SER 16.A OG TRP 12.A O no hydrogen 2.740 N/A SER 16.A OG TYR 732.A OH no hydrogen 2.265 N/A SER 17.A N ILE 13.A O no hydrogen 3.185 N/A SER 17.A OG ILE 13.A O no hydrogen 3.524 N/A SER 17.A OG VAL 14.A O no hydrogen 2.634 N/A TYR 18.A N ILE 15.A O no hydrogen 2.758 N/A PHE 19.A N ILE 15.A O no hydrogen 3.016 N/A ASP 20.A N SER 16.A O no hydrogen 3.159 N/A GLU 21.A N SER 17.A O no hydrogen 3.378 N/A LYS 22.A N TYR 18.A O no hydrogen 2.868 N/A LYS 22.A NZ TYR 18.A OH no hydrogen 2.914 N/A LYS 22.A NZ TYR 630.A OH no hydrogen 2.433 N/A GLN 27.A NE2 GLN 28.A OE1 no hydrogen 3.672 N/A GLN 28.A N VAL 25.A O no hydrogen 3.243 N/A GLN 28.A NE2 LEU 455.A O no hydrogen 3.385 N/A LEU 29.A N ARG 26.A O no hydrogen 2.766 N/A ASP 30.A N ARG 26.A O no hydrogen 2.632 N/A PHE 32.A N GLN 28.A O no hydrogen 3.448 N/A GLU 34.A N ASP 30.A O no hydrogen 2.947 N/A ARG 42.A N MET 38.A O no hydrogen 2.728 N/A GLU 45.A N GLN 41.A O no hydrogen 2.952 N/A ASP 46.A N ARG 42.A O no hydrogen 2.920 N/A ARG 56.A NH2 ASP 51.A O no hydrogen 3.403 N/A TYR 57.A N LEU 52.A O no hydrogen 2.663 N/A LEU 58.A N THR 104.A O no hydrogen 3.083 N/A LEU 59.A N ILE 50.A O no hydrogen 2.898 N/A LYS 60.A N THR 102.A O no hydrogen 3.080 N/A TYR 65.A N TYR 98.A O no hydrogen 2.368 N/A TYR 65.A OH ASP 100.A OD2 no hydrogen 3.411 N/A SER 67.A OG LYS 68.A O no hydrogen 2.614 N/A LYS 68.A NZ CYS 134.A O no hydrogen 2.484 N/A THR 70.A OG1 LYS 68.A O no hydrogen 3.077 N/A HIS 71.A N SER 79.A O no hydrogen 2.576 N/A GLU 73.A N ALA 77.A O no hydrogen 3.373 N/A ARG 74.A N TRP 72.A O no hydrogen 2.732 N/A ASP 75.A N GLU 73.A O no hydrogen 2.673 N/A ALA 77.A N ASP 75.A OD1 no hydrogen 2.937 N/A SER 79.A OG HIS 71.A O no hydrogen 2.677 N/A SER 79.A OG GLU 73.A OE1 no hydrogen 3.451 N/A MET 81.A N PRO 69.A O no hydrogen 3.336 N/A ASN 84.A ND2 ASN 148.A O no hydrogen 2.333 N/A GLU 85.A N MET 82.A O no hydrogen 2.919 N/A ALA 86.A N MET 82.A O no hydrogen 3.104 N/A ARG 87.A N PRO 83.A O no hydrogen 3.292 N/A ARG 87.A NE GLU 164.A OE2 no hydrogen 2.503 N/A ARG 87.A NH2 GLU 164.A OE2 no hydrogen 2.910 N/A ARG 89.A NE LEU 861.A O no hydrogen 3.570 N/A ARG 89.A NH1 GLU 73.A OE2 no hydrogen 2.392 N/A ARG 89.A NH2 ASN 862.A O no hydrogen 3.476 N/A ASN 90.A N ARG 87.A O no hydrogen 3.434 N/A LEU 91.A N ALA 86.A O no hydrogen 3.060 N/A TYR 93.A N ILE 159.A O no hydrogen 3.389 N/A ALA 95.A N ILE 125.A O no hydrogen 3.213 N/A LEU 97.A N GLY 123.A O no hydrogen 2.561 N/A TYR 98.A N TYR 65.A O no hydrogen 2.539 N/A VAL 99.A N THR 120.A O no hydrogen 3.292 N/A ASP 100.A N GLN 63.A O no hydrogen 3.414 N/A ILE 101.A N HIS 117.A O no hydrogen 3.442 N/A THR 102.A N LYS 60.A O no hydrogen 2.761 N/A THR 102.A OG1 LYS 60.A O no hydrogen 2.366 N/A LYS 103.A N THR 115.A O no hydrogen 3.256 N/A LYS 103.A NZ PHE 402.A O no hydrogen 2.812 N/A THR 104.A N LEU 58.A O no hydrogen 3.169 N/A VAL 105.A N LEU 113.A O no hydrogen 2.770 N/A ILE 106.A N ARG 56.A O no hydrogen 2.947 N/A LEU 113.A N VAL 105.A O no hydrogen 3.183 N/A THR 115.A N LYS 103.A O no hydrogen 2.659 N/A THR 115.A OG1 LYS 103.A O no hydrogen 3.274 N/A HIS 117.A N ILE 101.A O no hydrogen 3.208 N/A LYS 119.A N ASP 100.A OD1 no hydrogen 3.127 N/A THR 120.A N VAL 99.A O no hydrogen 2.941 N/A THR 120.A OG1 HIS 117.A O no hydrogen 3.279 N/A ILE 122.A N LEU 97.A O no hydrogen 3.184 N/A ILE 125.A N ALA 95.A O no hydrogen 3.227 N/A SER 131.A OG MET 128.A O no hydrogen 3.262 N/A SER 131.A OG SER 131.A O no hydrogen 2.396 N/A THR 132.A OG1 ASP 33.A OD1 no hydrogen 2.917 N/A THR 132.A OG1 ASP 33.A OD2 no hydrogen 3.359 N/A THR 132.A OG1 SER 131.A O no hydrogen 2.708 N/A TYR 133.A N SER 131.A O no hydrogen 2.629 N/A CYS 134.A SG TYR 93.A OH no hydrogen 2.658 N/A LEU 139.A N LEU 136.A O no hydrogen 3.115 N/A ASP 141.A N THR 140.A OG1 no hydrogen 2.571 N/A LEU 144.A N ASP 141.A O no hydrogen 3.307 N/A CYS 145.A N ARG 142.A O no hydrogen 3.296 N/A CYS 145.A SG ASP 141.A O no hydrogen 3.972 N/A CYS 145.A SG GLU 149.A O no hydrogen 3.927 N/A GLY 156.A N LEU 129.A O no hydrogen 3.238 N/A TYR 157.A OH ASP 153.A OD1 no hydrogen 3.030 N/A TYR 157.A OH ASP 153.A OD2 no hydrogen 2.474 N/A ILE 160.A N SER 163.A O no hydrogen 2.989 N/A ASN 161.A N THR 92.A OG1 no hydrogen 3.282 N/A SER 163.A N ILE 160.A O no hydrogen 3.368 N/A SER 163.A OG ILE 160.A O no hydrogen 3.494 N/A LYS 165.A NZ ALA 422.A O no hydrogen 2.491 N/A VAL 166.A N GLN 441.A O no hydrogen 3.240 N/A ALA 169.A N ARG 457.A O no hydrogen 3.258 N/A GLU 171.A N ASN 459.A O no hydrogen 3.146 N/A LYS 172.A N ARG 365.A O no hydrogen 3.187 N/A LYS 172.A NZ MET 173.A O no hydrogen 3.456 N/A ALA 174.A N ASN 363.A O no hydrogen 2.773 N/A ASN 176.A ND2 CYS 197.A O no hydrogen 2.856 N/A ASN 176.A ND2 ASN 536.A O no hydrogen 3.633 N/A TYR 179.A N GLU 193.A O no hydrogen 2.886 N/A TYR 179.A OH ALA 174.A O no hydrogen 2.387 N/A VAL 180.A N ASP 356.A OD2 no hydrogen 3.072 N/A TYR 188.A OH GLU 239.A OE1 no hydrogen 3.394 N/A ALA 189.A N MET 212.A O no hydrogen 2.693 N/A THR 191.A OG1 GLY 192.A O no hydrogen 2.937 N/A THR 191.A OG1 SER 211.A OG no hydrogen 2.602 N/A GLY 192.A N VAL 210.A O no hydrogen 2.661 N/A CYS 194.A N ILE 208.A O no hydrogen 3.126 N/A CYS 194.A SG THR 177.A O no hydrogen 3.221 N/A ARG 195.A NE GLU 193.A OE2 no hydrogen 2.990 N/A ARG 195.A NH2 GLU 193.A OE2 no hydrogen 3.244 N/A SER 196.A OG HIS 323.A ND1 no hydrogen 2.361 N/A CYS 197.A N ASN 176.A OD1 no hydrogen 2.807 N/A CYS 197.A SG LEU 198.A O no hydrogen 3.795 N/A CYS 197.A SG ARG 203.A O no hydrogen 3.258 N/A SER 201.A N LEU 198.A O no hydrogen 2.902 N/A SER 201.A OG LEU 198.A O no hydrogen 3.375 N/A ARG 203.A N SER 202.A OG no hydrogen 2.620 N/A ARG 203.A NH1 GLU 319.A OE2 no hydrogen 3.297 N/A SER 206.A OG SER 206.A O no hydrogen 2.561 N/A THR 207.A OG1 THR 207.A O no hydrogen 2.438 N/A ILE 208.A N SER 206.A O no hydrogen 2.660 N/A SER 211.A N VAL 230.A O no hydrogen 3.403 N/A SER 211.A OG THR 191.A OG1 no hydrogen 2.602 N/A LEU 213.A N ARG 228.A O no hydrogen 2.893 N/A ILE 225.A N LYS 222.A O no hydrogen 2.948 N/A GLY 226.A N LYS 222.A O no hydrogen 2.460 N/A VAL 230.A N SER 211.A O no hydrogen 3.023 N/A VAL 245.A N ILE 242.A O no hydrogen 2.853 N/A PHE 246.A N ILE 242.A O no hydrogen 3.463 N/A ARG 247.A N ILE 243.A O no hydrogen 3.104 N/A ARG 247.A NH1 ILE 284.A O no hydrogen 2.609 N/A ARG 247.A NH2 ASP 254.A OD1 no hydrogen 2.640 N/A ALA 248.A N ILE 244.A O no hydrogen 3.198 N/A ALA 248.A N VAL 245.A O no hydrogen 3.100 N/A LEU 249.A N PHE 246.A O no hydrogen 3.173 N/A GLU 259.A N ARG 255.A O no hydrogen 2.772 N/A ILE 262.A N LEU 258.A O no hydrogen 3.317 N/A GLU 266.A N ASP 264.A OD1 no hydrogen 2.984 N/A GLU 272.A N PRO 268.A O no hydrogen 3.269 N/A MET 273.A N MET 270.A O no hydrogen 2.927 N/A SER 277.A N VAL 274.A O no hydrogen 2.895 N/A GLN 285.A NE2 PHE 282.A O no hydrogen 2.697 N/A GLN 287.A N GLN 287.A OE1 no hydrogen 2.801 N/A ASN 288.A ND2 GLU 286.A OE2 no hydrogen 2.401 N/A VAL 289.A N GLU 286.A O no hydrogen 2.877 N/A ALA 290.A N GLU 286.A O no hydrogen 3.301 N/A PHE 293.A N VAL 289.A O no hydrogen 2.812 N/A ILE 294.A N ALA 290.A O no hydrogen 2.855 N/A GLY 295.A N LEU 291.A O no hydrogen 3.144 N/A SER 296.A OG SER 296.A O no hydrogen 2.479 N/A ALA 299.A N TYR 311.A OH no hydrogen 3.140 N/A LYS 307.A N THR 304.A O no hydrogen 3.340 N/A LYS 307.A N THR 304.A OG1 no hydrogen 3.125 N/A ARG 308.A NE ASN 292.A OD1 no hydrogen 2.749 N/A ARG 308.A NH1 GLY 302.A O no hydrogen 2.508 N/A ARG 308.A NH1 VAL 303.A O no hydrogen 2.809 N/A ARG 308.A NH2 VAL 303.A O no hydrogen 3.169 N/A ILE 309.A N LYS 305.A O no hydrogen 2.708 N/A LYS 310.A N GLU 306.A O no hydrogen 3.301 N/A TYR 311.A N LYS 307.A O no hydrogen 2.612 N/A VAL 315.A N TYR 311.A O no hydrogen 3.133 N/A GLU 319.A N VAL 315.A O no hydrogen 3.254 N/A HIS 323.A N SER 196.A OG no hydrogen 3.084 N/A HIS 323.A ND1 SER 196.A OG no hydrogen 2.361 N/A GLY 325.A N PRO 322.A O no hydrogen 2.969 N/A CYS 330.A SG GLY 325.A O no hydrogen 3.708 N/A CYS 330.A SG SER 327.A O no hydrogen 3.915 N/A LYS 334.A N CYS 330.A O no hydrogen 2.956 N/A LYS 334.A NZ GLY 325.A O no hydrogen 2.570 N/A TYR 336.A N LYS 333.A O no hydrogen 2.826 N/A LEU 338.A N LYS 334.A O no hydrogen 3.087 N/A MET 341.A N LEU 338.A O no hydrogen 3.193 N/A HIS 343.A N GLY 339.A O no hydrogen 3.358 N/A ARG 344.A N TYR 340.A O no hydrogen 3.023 N/A ARG 344.A NH2 VAL 178.A O no hydrogen 3.067 N/A LEU 345.A N VAL 342.A O no hydrogen 3.052 N/A LEU 346.A N VAL 342.A O no hydrogen 3.028 N/A LEU 347.A N HIS 343.A O no hydrogen 3.352 N/A ALA 349.A N LEU 345.A O no hydrogen 3.209 N/A LEU 350.A N LEU 346.A O no hydrogen 2.991 N/A GLY 351.A N ALA 348.A O no hydrogen 3.167 N/A ARG 352.A N LEU 347.A O no hydrogen 3.116 N/A ARG 352.A NH1 ASP 267.A OD2 no hydrogen 3.494 N/A ARG 352.A NH2 ASP 267.A OD2 no hydrogen 3.354 N/A ASP 356.A N VAL 180.A O no hydrogen 3.279 N/A ARG 358.A NH2 ALA 182.A O no hydrogen 3.460 N/A TYR 361.A N THR 470.A OG1 no hydrogen 3.374 N/A GLY 362.A N HIS 360.A ND1 no hydrogen 2.938 N/A ASN 363.A N HIS 360.A O no hydrogen 3.021 N/A LYS 364.A N TYR 361.A O no hydrogen 3.364 N/A LYS 364.A NZ ASP 359.A O no hydrogen 3.094 N/A ARG 365.A NE ASP 583.A OD2 no hydrogen 3.069 N/A ARG 365.A NH1 GLY 362.A O no hydrogen 3.467 N/A ARG 365.A NH1 LYS 364.A O no hydrogen 3.516 N/A LEU 366.A N GLY 585.A O no hydrogen 2.795 N/A GLY 370.A N SER 31.A OG no hydrogen 3.107 N/A LEU 372.A N LEU 368.A O no hydrogen 3.222 N/A LEU 373.A N ALA 369.A O no hydrogen 3.314 N/A ALA 374.A N GLY 370.A O no hydrogen 3.204 N/A PHE 375.A N PRO 371.A O no hydrogen 3.125 N/A LEU 376.A N LEU 372.A O no hydrogen 3.146 N/A LEU 376.A N LEU 373.A O no hydrogen 3.100 N/A PHE 377.A N LEU 373.A O no hydrogen 2.726 N/A ARG 378.A N ALA 374.A O no hydrogen 3.342 N/A MET 380.A N PHE 377.A O no hydrogen 3.436 N/A PHE 381.A N PHE 377.A O no hydrogen 2.896 N/A LYS 382.A N ARG 378.A O no hydrogen 3.434 N/A LEU 385.A N PHE 381.A O no hydrogen 3.282 N/A LYS 386.A N LYS 382.A O no hydrogen 2.704 N/A GLU 387.A N ASN 383.A O no hydrogen 3.383 N/A VAL 388.A N LEU 384.A O no hydrogen 3.439 N/A ARG 389.A N LEU 385.A O no hydrogen 2.770 N/A ILE 390.A N LYS 386.A O no hydrogen 2.965 N/A TYR 391.A N GLU 387.A O no hydrogen 2.647 N/A ALA 392.A N VAL 388.A O no hydrogen 3.157 N/A LYS 394.A N ILE 390.A O no hydrogen 3.219 N/A PHE 395.A N ALA 392.A O no hydrogen 2.831 N/A ARG 398.A N ASP 397.A OD1 no hydrogen 2.676 N/A GLY 399.A N PHE 395.A O no hydrogen 3.127 N/A GLU 405.A N ASN 403.A OD1 no hydrogen 3.196 N/A ALA 407.A N LEU 404.A O no hydrogen 2.686 N/A ILE 408.A N LEU 404.A O no hydrogen 2.965 N/A ILE 412.A N LYS 409.A O no hydrogen 3.378 N/A GLY 416.A N ILE 412.A O no hydrogen 3.459 N/A LEU 417.A N ILE 413.A O no hydrogen 3.331 N/A LYS 418.A N ASP 415.A O no hydrogen 2.861 N/A TYR 419.A N ASP 415.A O no hydrogen 2.397 N/A SER 420.A N GLY 416.A O no hydrogen 3.229 N/A SER 420.A OG GLY 416.A O no hydrogen 2.479 N/A ALA 422.A N TYR 419.A O no hydrogen 2.813 N/A THR 423.A N TYR 419.A O no hydrogen 3.027 N/A THR 423.A OG1 TYR 419.A O no hydrogen 3.395 N/A SER 440.A OG LEU 421.A O no hydrogen 3.415 N/A SER 440.A OG VAL 439.A O no hydrogen 2.562 N/A LEU 443.A N GLU 164.A O no hydrogen 3.312 N/A ASN 444.A N HIS 454.A ND1 no hydrogen 3.334 N/A ARG 445.A NE GLU 164.A OE1 no hydrogen 3.357 N/A ARG 445.A NH2 GLU 164.A OE1 no hydrogen 3.404 N/A THR 447.A OG1 GLY 695.A O no hydrogen 3.411 N/A THR 447.A OG1 LYS 696.A O no hydrogen 3.115 N/A THR 447.A OG1 ALA 698.A O no hydrogen 2.750 N/A THR 451.A OG1 ASN 444.A O no hydrogen 2.924 N/A LEU 452.A N PHE 448.A O no hydrogen 3.406 N/A SER 453.A N ALA 449.A O no hydrogen 3.135 N/A SER 453.A OG ALA 449.A O no hydrogen 3.113 N/A SER 453.A OG SER 450.A O no hydrogen 3.568 N/A HIS 454.A NE2 GLN 441.A OE1 no hydrogen 3.069 N/A LEU 455.A N LEU 452.A O no hydrogen 2.650 N/A ARG 456.A NE ALA 493.A O no hydrogen 3.127 N/A ARG 456.A NH1 LEU 24.A O no hydrogen 2.538 N/A ARG 456.A NH2 ALA 493.A O no hydrogen 2.332 N/A ARG 457.A NE ASN 491.A OD1 no hydrogen 2.522 N/A ARG 457.A NH2 ASN 491.A OD1 no hydrogen 3.196 N/A LEU 458.A N LYS 490.A O no hydrogen 2.751 N/A ASN 459.A ND2 GLN 170.A OE1 no hydrogen 2.372 N/A SER 460.A N LEU 488.A O no hydrogen 2.964 N/A SER 460.A OG LEU 488.A O no hydrogen 3.456 N/A HIS 468.A ND1 THR 470.A OG1 no hydrogen 2.882 N/A THR 470.A N HIS 468.A ND1 no hydrogen 3.154 N/A THR 470.A OG1 HIS 468.A ND1 no hydrogen 2.882 N/A CYS 476.A N ASN 491.A O no hydrogen 3.186 N/A THR 480.A OG1 PRO 481.A O no hydrogen 3.541 N/A THR 480.A OG1 VAL 489.A O no hydrogen 3.435 N/A GLY 487.A N THR 480.A OG1 no hydrogen 2.967 N/A LYS 490.A NZ GLY 487.A O no hydrogen 3.216 N/A LEU 492.A N ARG 456.A O no hydrogen 2.751 N/A ALA 493.A N MET 474.A O no hydrogen 3.231 N/A TYR 497.A N CYS 588.A O no hydrogen 2.757 N/A TYR 497.A OH ASP 30.A OD2 no hydrogen 2.329 N/A SER 499.A OG ASP 583.A O no hydrogen 3.243 N/A GLY 501.A N GLU 566.A OE2 no hydrogen 2.344 N/A SER 502.A OG GLY 501.A O no hydrogen 2.766 N/A SER 502.A OG GLU 566.A OE1 no hydrogen 2.613 N/A ILE 507.A N PRO 504.A O no hydrogen 3.372 N/A GLU 509.A N SER 505.A O no hydrogen 2.918 N/A PHE 510.A N ILE 507.A O no hydrogen 3.009 N/A LEU 511.A N ILE 507.A O no hydrogen 3.017 N/A GLU 513.A N PHE 510.A O no hydrogen 2.978 N/A TRP 514.A N LEU 511.A O no hydrogen 3.049 N/A SER 515.A N LEU 511.A O no hydrogen 2.903 N/A ASN 518.A ND2 GLU 512.A OE2 no hydrogen 2.558 N/A GLU 521.A N ASN 518.A O no hydrogen 3.264 N/A ALA 526.A N SER 523.A O no hydrogen 2.665 N/A THR 531.A N HIS 543.A O no hydrogen 3.031 N/A LYS 532.A N ARG 576.A O no hydrogen 3.335 N/A ILE 533.A N GLY 541.A O no hydrogen 3.412 N/A PHE 534.A N ILE 578.A O no hydrogen 2.835 N/A VAL 535.A N CYS 538.A O no hydrogen 2.883 N/A ASN 536.A N ILE 580.A O no hydrogen 3.046 N/A VAL 540.A N ILE 533.A O no hydrogen 3.220 N/A ASP 545.A N HIS 543.A ND1 no hydrogen 3.059 N/A MET 550.A N PRO 546.A O no hydrogen 2.860 N/A ASN 551.A N GLU 547.A O no hydrogen 3.282 N/A THR 552.A N GLN 548.A O no hydrogen 2.959 N/A THR 552.A OG1 GLN 548.A O no hydrogen 2.758 N/A LEU 553.A N LEU 549.A O no hydrogen 3.271 N/A ARG 554.A N MET 550.A O no hydrogen 3.027 N/A LYS 555.A N ASN 551.A O no hydrogen 3.054 N/A LEU 556.A N LEU 553.A O no hydrogen 3.394 N/A ARG 557.A N ARG 554.A O no hydrogen 3.178 N/A ARG 557.A NH2 GLU 629.A OE2 no hydrogen 2.344 N/A ARG 558.A N ARG 554.A O no hydrogen 3.137 N/A SER 568.A OG ASP 632.A OD2 no hydrogen 2.557 N/A ILE 570.A N ARG 579.A O no hydrogen 2.804 N/A GLU 575.A N ASP 572.A OD2 no hydrogen 2.976 N/A ARG 576.A N ILE 573.A O no hydrogen 2.989 N/A ILE 578.A N LYS 532.A O no hydrogen 2.703 N/A ARG 579.A N ILE 570.A O no hydrogen 2.685 N/A TYR 581.A N SER 568.A O no hydrogen 3.165 N/A GLY 585.A N SER 499.A OG no hydrogen 3.150 N/A ARG 586.A N SER 499.A OG no hydrogen 2.785 N/A ARG 586.A NE ASP 583.A O no hydrogen 3.563 N/A ARG 586.A NH2 GLU 566.A O no hydrogen 2.980 N/A CYS 588.A N TYR 497.A O no hydrogen 2.573 N/A CYS 588.A SG TYR 497.A O no hydrogen 3.684 N/A ARG 589.A N ILE 631.A O no hydrogen 2.913 N/A ARG 589.A NE GLU 636.A OE2 no hydrogen 2.421 N/A ARG 589.A NH2 GLU 636.A OE2 no hydrogen 3.070 N/A LEU 591.A N GLU 629.A O no hydrogen 3.181 N/A LEU 592.A N CYS 662.A O no hydrogen 2.494 N/A VAL 594.A N THR 660.A O no hydrogen 2.721 N/A GLU 595.A N LYS 598.A O no hydrogen 2.708 N/A LYS 596.A NZ GLU 595.A OE2 no hydrogen 3.035 N/A GLN 597.A N GLU 595.A O no hydrogen 2.787 N/A LEU 600.A N ILE 593.A O no hydrogen 3.233 N/A LYS 603.A N GLU 1.A O no hydrogen 2.824 N/A HIS 605.A N LYS 602.A O no hydrogen 2.911 N/A HIS 605.A ND1 TYR 617.A OH no hydrogen 2.941 N/A ASP 607.A N LYS 603.A O no hydrogen 3.222 N/A GLN 608.A N HIS 605.A O no hydrogen 2.679 N/A LEU 609.A N HIS 605.A O no hydrogen 3.178 N/A ASN 615.A ND2 GLU 611.A O no hydrogen 3.034 N/A ASN 615.A ND2 GLU 611.A OE1 no hydrogen 3.336 N/A SER 618.A OG SER 618.A O no hydrogen 2.486 N/A GLN 620.A N SER 618.A O no hydrogen 2.649 N/A VAL 623.A N TRP 619.A O no hydrogen 3.353 N/A SER 625.A N ASP 621.A O no hydrogen 3.337 N/A GLY 626.A N VAL 623.A O no hydrogen 2.947 N/A ILE 631.A N ARG 589.A O no hydrogen 2.763 N/A THR 633.A OG1 TYR 361.A O no hydrogen 3.275 N/A GLU 636.A N ASP 632.A O no hydrogen 3.401 N/A THR 638.A N GLU 635.A O no hydrogen 2.683 N/A THR 638.A OG1 GLU 635.A O no hydrogen 2.424 N/A VAL 639.A N GLU 636.A O no hydrogen 3.507 N/A ALA 642.A N HIS 661.A O no hydrogen 3.334 N/A LEU 648.A N THR 644.A O no hydrogen 3.323 N/A THR 660.A N MET 640.A O no hydrogen 3.252 N/A THR 660.A OG1 MET 640.A O no hydrogen 3.071 N/A THR 660.A OG1 HIS 661.A ND1 no hydrogen 2.645 N/A HIS 661.A N MET 640.A O no hydrogen 3.179 N/A HIS 661.A ND1 THR 660.A OG1 no hydrogen 2.645 N/A HIS 661.A NE2 GLU 629.A OE1 no hydrogen 2.361 N/A CYS 662.A N LEU 592.A O no hydrogen 3.190 N/A CYS 662.A SG HIS 661.A O no hydrogen 3.212 N/A MET 668.A N HIS 665.A O no hydrogen 3.166 N/A CYS 673.A SG ALA 449.A O no hydrogen 3.326 N/A CYS 673.A SG SER 453.A OG no hydrogen 3.144 N/A SER 675.A N VAL 672.A O no hydrogen 3.135 N/A SER 675.A OG LEU 670.A O no hydrogen 3.445 N/A SER 675.A OG GLY 671.A O no hydrogen 2.765 N/A PHE 679.A N ALA 949.A O no hydrogen 3.509 N/A HIS 682.A N PHE 679.A O no hydrogen 3.215 N/A ASN 683.A ND2 ASN 688.A OD1 no hydrogen 2.787 N/A GLN 684.A N MET 926.A O no hydrogen 3.452 N/A ARG 687.A N GLN 684.A O no hydrogen 2.674 N/A ASN 688.A ND2 PRO 680.A O no hydrogen 3.120 N/A THR 689.A N SER 685.A O no hydrogen 3.340 N/A THR 689.A OG1 ALA 478.A O no hydrogen 2.912 N/A THR 689.A OG1 SER 685.A O no hydrogen 3.350 N/A TYR 690.A N PRO 686.A O no hydrogen 3.127 N/A GLN 691.A N ARG 687.A O no hydrogen 3.095 N/A SER 692.A N ASN 688.A O no hydrogen 3.210 N/A SER 692.A OG ASN 688.A O no hydrogen 2.413 N/A ALA 693.A N TYR 690.A O no hydrogen 3.347 N/A MET 694.A N TYR 690.A O no hydrogen 3.157 N/A GLY 695.A N GLN 691.A O no hydrogen 2.763 N/A GLN 697.A N MET 694.A O no hydrogen 3.205 N/A MET 699.A N ARG 1000.A O no hydrogen 3.336 N/A TYR 702.A OH ASP 711.A OD2 no hydrogen 3.187 N/A ASN 705.A N ILE 703.A O no hydrogen 2.784 N/A VAL 708.A N ASN 705.A O no hydrogen 2.930 N/A ARG 709.A N ASN 705.A O no hydrogen 3.356 N/A ARG 709.A NE ASP 711.A OD2 no hydrogen 2.595 N/A ARG 709.A NH2 ASP 711.A OD1 no hydrogen 2.906 N/A ARG 709.A NH2 ASP 711.A OD2 no hydrogen 2.832 N/A VAL 716.A N VAL 775.A O no hydrogen 3.109 N/A TYR 718.A N ARG 773.A O no hydrogen 3.242 N/A GLN 721.A N GLY 741.A O no hydrogen 2.724 N/A THR 726.A OG1 THR 727.A O no hydrogen 3.461 N/A THR 727.A OG1 SER 675.A O no hydrogen 3.337 N/A MET 730.A N THR 727.A O no hydrogen 3.156 N/A TYR 732.A OH TRP 12.A O no hydrogen 3.403 N/A TYR 732.A OH SER 16.A OG no hydrogen 2.265 N/A LEU 733.A N SER 729.A O no hydrogen 3.410 N/A ARG 734.A NH1 GLU 737.A OE1 no hydrogen 3.393 N/A PHE 735.A N MET 730.A O no hydrogen 3.165 N/A SER 744.A N THR 996.A O no hydrogen 3.076 N/A SER 744.A OG THR 996.A O no hydrogen 3.103 N/A VAL 746.A N GLY 994.A O no hydrogen 3.302 N/A ALA 747.A N ILE 915.A O no hydrogen 3.090 N/A ILE 748.A N PHE 992.A O no hydrogen 3.240 N/A ALA 749.A N ILE 917.A O no hydrogen 3.335 N/A TYR 751.A OH ASP 903.A O no hydrogen 3.115 N/A THR 752.A OG1 TYR 899.A OH no hydrogen 2.520 N/A ASN 755.A ND2 ALA 749.A O no hydrogen 3.539 N/A SER 759.A OG THR 894.A OG1 no hydrogen 2.676 N/A ILE 761.A N ILE 916.A O no hydrogen 3.048 N/A MET 762.A N ILE 897.A O no hydrogen 3.272 N/A ASN 763.A ND2 THR 912.A O no hydrogen 3.424 N/A ARG 764.A N TYR 899.A O no hydrogen 2.750 N/A ARG 764.A NH1 GLN 898.A OE1 no hydrogen 2.902 N/A ALA 766.A N ASN 763.A O no hydrogen 2.896 N/A VAL 767.A N ASN 763.A O no hydrogen 3.042 N/A ASP 768.A N ARG 764.A O no hydrogen 3.138 N/A ARG 769.A N ALA 766.A O no hydrogen 2.986 N/A GLY 770.A N VAL 767.A O no hydrogen 3.248 N/A ARG 773.A N GLY 770.A O no hydrogen 3.252 N/A ARG 773.A NH2 VAL 767.A O no hydrogen 2.439 N/A VAL 775.A N VAL 716.A O no hydrogen 3.037 N/A PHE 776.A N SER 875.A O no hydrogen 2.876 N/A TYR 777.A N ALA 714.A O no hydrogen 2.628 N/A SER 779.A OG ASP 711.A O no hydrogen 2.485 N/A SER 779.A OG ARG 778.A O no hydrogen 2.872 N/A GLN 783.A NE2 GLU 784.A O no hydrogen 2.585 N/A SER 785.A OG GLU 791.A OE2 no hydrogen 2.731 N/A CYS 801.A SG THR 797.A O no hydrogen 4.024 N/A GLN 802.A N LYS 839.A O no hydrogen 2.938 N/A LYS 811.A NZ ARG 823.A O no hydrogen 3.347 N/A LYS 811.A NZ ASP 828.A OD2 no hydrogen 3.281 N/A ASP 813.A N LEU 817.A O no hydrogen 3.279 N/A GLY 821.A N VAL 854.A O no hydrogen 2.746 N/A VAL 824.A N GLY 852.A O no hydrogen 3.174 N/A SER 825.A OG ASP 828.A OD2 no hydrogen 2.932 N/A LYS 833.A NZ GLU 782.A OE2 no hydrogen 2.984 N/A THR 834.A OG1 GLU 794.A OE2 no hydrogen 2.400 N/A THR 836.A N GLU 790.A O no hydrogen 2.897 N/A THR 836.A OG1 GLU 790.A O no hydrogen 3.466 N/A THR 838.A OG1 LEU 837.A O no hydrogen 3.472 N/A ARG 840.A N VAL 835.A O no hydrogen 3.056 N/A CYS 842.A N LYS 833.A O no hydrogen 2.919 N/A THR 844.A N ILE 831.A O no hydrogen 3.365 N/A ILE 853.A N ARG 874.A O no hydrogen 2.623 N/A ASP 855.A N ARG 872.A O no hydrogen 3.037 N/A MET 858.A N LYS 870.A O no hydrogen 3.286 N/A THR 860.A N PHE 868.A O no hydrogen 3.235 N/A THR 860.A OG1 LEU 861.A O no hydrogen 3.169 N/A ASN 862.A N TYR 866.A O no hydrogen 2.616 N/A GLN 863.A NE2 ASN 90.A O no hydrogen 2.571 N/A GLN 863.A NE2 ASN 161.A OD1 no hydrogen 2.882 N/A GLY 865.A N ASN 862.A OD1 no hydrogen 2.390 N/A TYR 866.A N ASN 862.A OD1 no hydrogen 2.397 N/A TYR 866.A OH LYS 786.A O no hydrogen 2.891 N/A PHE 868.A N THR 860.A O no hydrogen 2.717 N/A LYS 870.A N MET 858.A O no hydrogen 3.333 N/A ARG 872.A N GLN 856.A O no hydrogen 3.104 N/A ARG 872.A NH1 HIS 707.A O no hydrogen 3.360 N/A ARG 872.A NH1 ARG 709.A O no hydrogen 2.961 N/A ARG 872.A NH2 ASP 855.A OD2 no hydrogen 2.521 N/A ARG 874.A N ILE 853.A O no hydrogen 2.665 N/A ARG 874.A NE ASP 855.A OD1 no hydrogen 2.397 N/A ARG 874.A NH2 ASP 855.A OD1 no hydrogen 3.170 N/A SER 875.A N PHE 776.A O no hydrogen 3.345 N/A ARG 877.A N SER 774.A O no hydrogen 2.643 N/A GLY 882.A N CYS 895.A O no hydrogen 3.233 N/A PHE 885.A N GLY 893.A O no hydrogen 2.756 N/A ALA 886.A N GLN 999.A O no hydrogen 2.932 N/A SER 887.A OG GLY 890.A O no hydrogen 3.380 N/A ARG 888.A NH1 ILE 676.A O no hydrogen 3.541 N/A ARG 888.A NH1 VAL 725.A O no hydrogen 3.062 N/A ARG 888.A NH2 VAL 725.A O no hydrogen 2.880 N/A ARG 888.A NH2 GLU 933.A OE2 no hydrogen 2.477 N/A HIS 889.A N SER 887.A OG no hydrogen 2.966 N/A HIS 889.A NE2 PRO 678.A O no hydrogen 3.009 N/A GLY 893.A N PHE 885.A O no hydrogen 2.692 N/A THR 894.A N ASP 758.A O no hydrogen 3.041 N/A THR 894.A OG1 ASP 758.A O no hydrogen 3.380 N/A CYS 895.A SG GLN 880.A O no hydrogen 3.471 N/A GLY 896.A N VAL 760.A O no hydrogen 2.973 N/A TYR 899.A OH THR 752.A OG1 no hydrogen 2.520 N/A ARG 900.A NE SER 765.A OG no hydrogen 3.028 N/A ARG 900.A NH2 SER 765.A OG no hydrogen 2.781 N/A ASP 903.A N ARG 900.A O no hydrogen 2.707 N/A MET 904.A N ARG 900.A O no hydrogen 2.576 N/A THR 907.A N ILE 911.A O no hydrogen 2.914 N/A GLU 909.A N THR 907.A OG1 no hydrogen 3.053 N/A ILE 911.A N THR 907.A OG1 no hydrogen 2.990 N/A THR 912.A OG1 GLN 901.A OE1 no hydrogen 2.364 N/A THR 912.A OG1 THR 912.A O no hydrogen 2.577 N/A ASP 914.A N ILE 745.A O no hydrogen 2.619 N/A ILE 916.A N ILE 761.A O no hydrogen 2.964 N/A ILE 917.A N ALA 747.A O no hydrogen 3.165 N/A ILE 922.A N PRO 919.A O no hydrogen 2.953 N/A ARG 925.A NH2 ASP 758.A OD1 no hydrogen 3.066 N/A ARG 925.A NH2 ASP 758.A OD2 no hydrogen 3.122 N/A MET 926.A N ILE 922.A O no hydrogen 2.811 N/A ILE 932.A N GLY 929.A O no hydrogen 3.284 N/A GLU 933.A N GLY 929.A O no hydrogen 3.053 N/A CYS 934.A SG GLY 994.A O no hydrogen 3.330 N/A GLN 936.A N ILE 932.A O no hydrogen 2.609 N/A GLY 937.A N GLU 933.A O no hydrogen 2.949 N/A LYS 938.A N LEU 935.A O no hydrogen 3.235 N/A LYS 938.A NZ GLY 974.A O no hydrogen 2.812 N/A LYS 938.A NZ GLU 976.A OE1 no hydrogen 3.486 N/A LYS 938.A NZ ILE 993.A O no hydrogen 2.941 N/A VAL 939.A N LEU 935.A O no hydrogen 3.342 N/A SER 940.A N GLN 936.A O no hydrogen 2.928 N/A SER 940.A OG GLN 936.A O no hydrogen 3.390 N/A SER 940.A OG GLU 945.A O no hydrogen 3.005 N/A ASN 942.A N VAL 939.A O no hydrogen 2.867 N/A ASN 942.A ND2 LYS 938.A O no hydrogen 3.193 N/A LYS 943.A N VAL 939.A O no hydrogen 2.602 N/A GLY 947.A N LEU 724.A O no hydrogen 2.980 N/A ALA 949.A N THR 726.A O no hydrogen 2.885 N/A THR 950.A N ASP 948.A OD1 no hydrogen 3.473 N/A THR 950.A OG1 ASP 948.A OD1 no hydrogen 3.055 N/A LYS 960.A NZ ALA 955.A O no hydrogen 3.472 N/A SER 962.A OG LEU 972.A O no hydrogen 3.156 N/A ASN 963.A N GLN 959.A O no hydrogen 3.068 N/A LEU 965.A N ILE 961.A O no hydrogen 3.155 N/A SER 966.A N SER 962.A O no hydrogen 2.868 N/A TYR 968.A N LEU 965.A O no hydrogen 3.356 N/A GLY 974.A N HIS 971.A O no hydrogen 2.839 N/A GLU 976.A N ILE 991.A O no hydrogen 2.922 N/A TYR 979.A N PHE 906.A O no hydrogen 2.757 N/A ASN 980.A ND2 THR 983.A OG1 no hydrogen 3.056 N/A GLY 981.A N ASN 980.A OD1 no hydrogen 2.679 N/A ARG 985.A N THR 983.A OG1 no hydrogen 2.663 N/A SER 989.A OG GLN 990.A O no hydrogen 3.216 N/A ILE 991.A N GLU 976.A O no hydrogen 3.023 N/A GLY 994.A N VAL 746.A O no hydrogen 3.168 N/A THR 996.A N SER 744.A O no hydrogen 2.972 N/A THR 996.A OG1 GLY 994.A O no hydrogen 3.426 N/A TYR 997.A N GLU 933.A OE2 no hydrogen 3.354 N/A TYR 998.A N ILE 742.A O no hydrogen 3.175 N/A TYR 998.A OH HIS 930.A NE2 no hydrogen 3.418 N/A GLN 999.A N ALA 886.A O no hydrogen 2.961 N/A ARG 1000.A NH1 PHE 772.A O no hydrogen 3.451 N/A ARG 1000.A NH1 ARG 877.A O no hydrogen 2.973 N/A LEU 1001.A N LYS 884.A O no hydrogen 3.096 N/A MET 1004.A N LYS 1002.A O no hydrogen 2.775 N/A VAL 1005.A N ASP 883.A OD1 no hydrogen 2.547 N/A