Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6msj_f.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 2.A OE1 no hydrogen 3.455 N/A LYS 8.A N ARG 6.A O no hydrogen 2.952 N/A VAL 11.A N LYS 8.A O no hydrogen 2.931 N/A GLN 12.A N LYS 8.A O no hydrogen 3.036 N/A GLN 14.A N VAL 11.A O no hydrogen 3.110 N/A GLN 14.A NE2 LEU 59.A O no hydrogen 3.446 N/A GLN 15.A N GLN 12.A O no hydrogen 3.265 N/A SER 16.A N GLN 12.A O no hydrogen 2.828 N/A SER 16.A OG GLN 12.A O no hydrogen 3.198 N/A SER 16.A OG GLN 12.A OE1 no hydrogen 2.506 N/A ALA 19.A N GLN 15.A O no hydrogen 2.571 N/A GLY 23.A N ALA 20.A O no hydrogen 3.139 N/A THR 24.A OG1 ALA 20.A O no hydrogen 2.382 N/A LYS 31.A N LYS 27.A O no hydrogen 3.092 N/A GLU 32.A N SER 29.A O no hydrogen 2.950 N/A ARG 33.A N SER 29.A O no hydrogen 2.641 N/A ARG 33.A NH2 GLU 32.A OE2 no hydrogen 3.210 N/A ARG 34.A NE GLY 30.A O no hydrogen 2.728 N/A ARG 34.A NH1 ALA 19.A O no hydrogen 3.263 N/A ARG 34.A NH2 ALA 19.A O no hydrogen 3.210 N/A ARG 34.A NH2 GLY 30.A O no hydrogen 3.083 N/A ALA 36.A N GLU 32.A O no hydrogen 2.942 N/A GLY 37.A N ARG 33.A O no hydrogen 2.881 N/A ASP 38.A N ARG 34.A O no hydrogen 2.930 N/A LYS 39.A N ASP 35.A O no hydrogen 2.908 N/A ASP 40.A N ALA 36.A O no hydrogen 3.279 N/A GLU 42.A N ASP 38.A O no hydrogen 3.015 N/A GLN 43.A N LYS 39.A O no hydrogen 2.938 N/A GLU 44.A N ASP 40.A O no hydrogen 2.721 N/A LEU 45.A N LYS 41.A O no hydrogen 2.887 N/A SER 46.A N GLN 43.A O no hydrogen 3.358 N/A GLU 48.A N GLU 48.A OE1 no hydrogen 2.661 N/A GLN 53.A N GLN 53.A OE1 no hydrogen 2.736 N/A LEU 59.A N LEU 56.A O no hydrogen 2.674 N/A VAL 60.A N LEU 56.A O no hydrogen 2.558 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.654 N/A GLY 64.A N VAL 60.A O no hydrogen 2.708 N/A GLU 65.A N GLU 61.A O no hydrogen 3.042 N/A ASP 67.A N LEU 63.A O no hydrogen 2.869 N/A THR 68.A N GLY 64.A O no hydrogen 2.784 N/A THR 68.A OG1 GLY 64.A O no hydrogen 2.800 N/A SER 69.A N GLU 65.A O no hydrogen 3.133 N/A LEU 70.A N ASP 67.A O no hydrogen 2.751 N/A TYR 71.A N THR 68.A O no hydrogen 3.397 N/A ARG 72.A N THR 68.A O no hydrogen 3.035 N/A SER 84.A OG GLN 81.A O no hydrogen 2.478 N/A SER 85.A OG GLN 81.A O no hydrogen 3.382 N/A THR 86.A N ILE 82.A O no hydrogen 2.930 N/A THR 86.A OG1 ILE 82.A O no hydrogen 2.679 N/A THR 87.A N ARG 83.A O no hydrogen 3.088 N/A THR 87.A OG1 ARG 83.A O no hydrogen 2.372 N/A THR 87.A OG1 MET 113.A O no hydrogen 3.530 N/A MET 89.A N THR 86.A O no hydrogen 2.985 N/A THR 90.A N THR 86.A O no hydrogen 2.702 N/A THR 90.A OG1 THR 86.A O no hydrogen 2.502 N/A SER 91.A N THR 87.A O no hydrogen 3.078 N/A SER 91.A OG THR 87.A O no hydrogen 2.869 N/A LYS 94.A NZ LEU 106.A O no hydrogen 3.156 N/A LEU 96.A N PRO 93.A O no hydrogen 2.745 N/A LYS 97.A N PRO 93.A O no hydrogen 2.537 N/A LYS 97.A NZ THR 90.A O no hydrogen 3.083 N/A PHE 98.A N LYS 94.A O no hydrogen 3.279 N/A LYS 105.A N HIS 102.A O no hydrogen 2.665 N/A GLU 111.A N LYS 107.A O no hydrogen 2.728 N/A ARG 120.A N GLU 117.A O no hydrogen 2.466 N/A THR 132.A N SER 127.A O no hydrogen 3.284 N/A THR 132.A OG1 SER 127.A O no hydrogen 3.113 N/A SER 134.A N ALA 130.A O no hydrogen 2.479 N/A SER 134.A OG ALA 130.A O no hydrogen 2.609 N/A GLY 135.A N MET 131.A O no hydrogen 3.168 N/A GLU 136.A N THR 132.A O no hydrogen 2.939 N/A ARG 137.A N MET 133.A O no hydrogen 3.059 N/A ARG 137.A N SER 134.A O no hydrogen 3.204 N/A ARG 137.A NH2 GLU 111.A OE1 no hydrogen 3.437 N/A GLU 138.A N SER 134.A O no hydrogen 3.285 N/A CYS 139.A N GLY 135.A O no hydrogen 3.080 N/A LYS 141.A N ARG 137.A O no hydrogen 3.096 N/A TYR 142.A N ARG 137.A O no hydrogen 3.149 N/A TYR 142.A OH GLU 190.A OE1 no hydrogen 2.836 N/A LEU 144.A N LEU 140.A O no hydrogen 3.408 N/A VAL 145.A N LYS 141.A O no hydrogen 3.415 N/A GLY 146.A N TYR 142.A O no hydrogen 2.550 N/A SER 147.A OG ARG 143.A O no hydrogen 2.348 N/A GLU 149.A N VAL 145.A O no hydrogen 3.076 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.831 N/A HIS 156.A N SER 153.A O no hydrogen 2.637 N/A GLU 157.A N SER 153.A O no hydrogen 2.919 N/A ARG 160.A N HIS 156.A O no hydrogen 2.943 N/A LEU 162.A N TYR 158.A O no hydrogen 2.646 N/A ALA 163.A N VAL 159.A O no hydrogen 2.848 N/A GLU 165.A N HIS 161.A O no hydrogen 3.035 N/A VAL 166.A N LEU 162.A O no hydrogen 3.148 N/A ALA 167.A N ALA 163.A O no hydrogen 3.142 N/A LYS 168.A N GLY 164.A O no hydrogen 3.076 N/A LYS 168.A NZ ALA 204.A O no hydrogen 3.273 N/A GLU 169.A N GLU 165.A O no hydrogen 2.843 N/A TRP 170.A N VAL 166.A O no hydrogen 3.120 N/A GLU 172.A N GLU 169.A O no hydrogen 3.178 N/A LEU 173.A N GLU 169.A O no hydrogen 3.433 N/A VAL 179.A N ALA 176.A O no hydrogen 3.148 N/A GLN 180.A N GLU 177.A O no hydrogen 3.175 N/A ARG 181.A N LYS 178.A O no hydrogen 3.175 N/A GLU 182.A N VAL 179.A O no hydrogen 2.997 N/A LEU 184.A N GLN 180.A O no hydrogen 3.408 N/A LEU 185.A N ARG 181.A O no hydrogen 2.832 N/A LEU 185.A N GLU 182.A O no hydrogen 2.979 N/A THR 186.A N GLU 182.A O no hydrogen 2.679 N/A THR 186.A OG1 GLU 182.A O no hydrogen 2.440 N/A THR 186.A OG1 GLU 182.A OE2 no hydrogen 2.461 N/A LYS 189.A N LEU 185.A O no hydrogen 3.271 N/A LYS 189.A NZ TYR 142.A OH no hydrogen 3.481 N/A LYS 189.A NZ GLU 190.A OE2 no hydrogen 2.949 N/A ALA 197.A N PRO 193.A O no hydrogen 3.127 N/A HIS 198.A N TYR 194.A O no hydrogen 2.497 N/A ASN 199.A N ASN 195.A O no hydrogen 2.564 N/A GLU 201.A N ALA 197.A O no hydrogen 3.170 N/A HIS 202.A N HIS 198.A O no hydrogen 2.365 N/A GLU 203.A N ASN 199.A O no hydrogen 3.474 N/A ALA 204.A N ALA 200.A O no hydrogen 3.029 N/A CYS 205.A N GLU 201.A O no hydrogen 3.119 N/A CYS 205.A SG GLU 242.A OE1 no hydrogen 3.374 N/A ASP 206.A N HIS 202.A O no hydrogen 2.829 N/A LEU 207.A N GLU 203.A O no hydrogen 3.270 N/A LEU 208.A N CYS 205.A O no hydrogen 3.249 N/A MET 216.A N ASP 215.A OD1 no hydrogen 2.713 N/A LEU 217.A N GLN 213.A O no hydrogen 2.639 N/A GLU 218.A N VAL 214.A O no hydrogen 3.073 N/A LYS 219.A N ASP 215.A O no hydrogen 2.872 N/A ASP 220.A N MET 216.A O no hydrogen 3.145 N/A ASP 222.A N GLU 218.A O no hydrogen 3.152 N/A GLU 223.A N LYS 219.A O no hydrogen 3.069 N/A ASN 224.A N ASP 220.A O no hydrogen 2.607 N/A ASN 224.A ND2 SER 235.A O no hydrogen 3.527 N/A ALA 225.A N ASP 222.A O no hydrogen 3.282 N/A TYR 232.A N LYS 228.A O no hydrogen 2.972 N/A LEU 233.A N VAL 229.A O no hydrogen 2.799 N/A THR 234.A N LEU 231.A O no hydrogen 2.852 N/A THR 234.A OG1 CYS 230.A O no hydrogen 2.504 N/A SER 235.A N LEU 231.A O no hydrogen 2.872 N/A SER 235.A OG ASN 224.A OD1 no hydrogen 2.286 N/A SER 235.A OG LEU 231.A O no hydrogen 3.173 N/A CYS 236.A SG TYR 232.A O no hydrogen 3.216 N/A VAL 237.A N THR 234.A O no hydrogen 3.208 N/A ASN 238.A N THR 234.A O no hydrogen 3.214 N/A ASN 238.A ND2 ASN 195.A OD1 no hydrogen 2.554 N/A TYR 239.A N SER 235.A O no hydrogen 2.944 N/A TYR 239.A N CYS 236.A O no hydrogen 3.249 N/A VAL 240.A N VAL 237.A O no hydrogen 3.386 N/A GLU 244.A N PRO 241.A O no hydrogen 2.917 N/A ASN 245.A N PRO 241.A O no hydrogen 2.472 N/A SER 246.A OG GLU 242.A O no hydrogen 2.412 N/A SER 246.A OG GLU 242.A OE1 no hydrogen 3.561 N/A ALA 247.A N GLU 242.A O no hydrogen 3.158 N/A ARG 250.A NH1 ILE 281.A O no hydrogen 3.554 N/A ARG 250.A NH2 ILE 281.A O no hydrogen 2.608 N/A CYS 251.A N LEU 249.A O no hydrogen 2.564 N/A CYS 251.A SG CYS 285.A O no hydrogen 3.743 N/A CYS 251.A SG VAL 872.A O no hydrogen 3.266 N/A ARG 257.A N LEU 253.A O no hydrogen 2.653 N/A ARG 257.A NH2 VAL 240.A O no hydrogen 2.367 N/A LYS 258.A N GLY 254.A O no hydrogen 3.301 N/A PHE 259.A N VAL 255.A O no hydrogen 3.384 N/A SER 260.A OG SER 260.A O no hydrogen 2.538 N/A SER 260.A OG GLU 264.A OE1 no hydrogen 2.649 N/A ARG 261.A N LYS 258.A O no hydrogen 3.415 N/A LEU 268.A N ALA 265.A O no hydrogen 3.139 N/A LEU 270.A N LEU 266.A O no hydrogen 3.352 N/A MET 271.A N ARG 267.A O no hydrogen 2.585 N/A LEU 272.A N LEU 268.A O no hydrogen 2.764 N/A ASN 273.A N ALA 269.A O no hydrogen 2.407 N/A ASP 274.A N LEU 270.A O no hydrogen 2.727 N/A MET 275.A N MET 271.A O no hydrogen 2.684 N/A GLU 276.A N LEU 272.A O no hydrogen 2.682 N/A LEU 277.A N ASN 273.A O no hydrogen 3.161 N/A ASP 280.A N VAL 278.A O no hydrogen 2.922 N/A CYS 285.A SG ILE 281.A O no hydrogen 3.303 N/A LYS 286.A NZ GLU 276.A O no hydrogen 2.365 N/A LYS 286.A NZ ASP 280.A OD1 no hydrogen 3.381 N/A ASP 287.A N THR 283.A O no hydrogen 2.399 N/A VAL 288.A N CYS 285.A O no hydrogen 3.376 N/A VAL 289.A N CYS 285.A O no hydrogen 3.034 N/A VAL 290.A N LYS 286.A O no hydrogen 3.308 N/A LYS 292.A NZ VAL 288.A O no hydrogen 2.667 N/A MET 297.A N LYS 292.A O no hydrogen 3.439 N/A SER 308.A OG GLU 309.A OE1 no hydrogen 2.783 N/A SER 308.A OG GLU 309.A OE2 no hydrogen 3.318 N/A VAL 311.A N GLU 309.A O no hydrogen 2.778 N/A TYR 314.A N GLU 309.A O no hydrogen 3.057 N/A ILE 320.A N ASP 316.A O no hydrogen 2.637 N/A MET 321.A N LEU 317.A O no hydrogen 2.739 N/A SER 322.A N THR 318.A O no hydrogen 2.995 N/A SER 322.A OG GLN 325.A OE1 no hydrogen 3.540 N/A ASN 323.A N THR 318.A O no hydrogen 3.405 N/A VAL 324.A N GLU 319.A O no hydrogen 2.736 N/A LEU 326.A N SER 322.A O no hydrogen 2.804 N/A ASN 327.A N ASN 323.A O no hydrogen 2.605 N/A ASN 327.A ND2 ASN 327.A O no hydrogen 2.858 N/A SER 328.A N VAL 324.A O no hydrogen 2.729 N/A ASN 329.A N GLN 325.A O no hydrogen 2.859 N/A ASN 329.A ND2 TRP 420.A O no hydrogen 2.894 N/A PHE 330.A N LEU 326.A O no hydrogen 2.880 N/A LEU 331.A N ASN 327.A O no hydrogen 3.168 N/A LEU 331.A N SER 328.A O no hydrogen 3.248 N/A LEU 333.A N ASN 329.A O no hydrogen 2.639 N/A ALA 334.A N PHE 330.A O no hydrogen 2.835 N/A GLU 336.A N LEU 331.A O no hydrogen 3.088 N/A ASP 338.A N ALA 334.A O no hydrogen 3.244 N/A ILE 339.A N ARG 335.A O no hydrogen 3.129 N/A MET 340.A N GLU 336.A O no hydrogen 3.485 N/A GLU 341.A N GLU 336.A O no hydrogen 3.321 N/A THR 351.A N ILE 348.A O no hydrogen 3.195 N/A THR 351.A OG1 ASP 347.A O no hydrogen 2.518 N/A HIS 352.A N TYR 349.A O no hydrogen 3.118 N/A HIS 352.A ND1 ILE 348.A O no hydrogen 3.009 N/A PHE 358.A N ASN 355.A O no hydrogen 3.047 N/A ARG 369.A NH2 VAL 791.A O no hydrogen 2.470 N/A MET 370.A N SER 367.A O no hydrogen 3.291 N/A ASN 371.A N ALA 368.A O no hydrogen 3.216 N/A LEU 372.A N ARG 369.A O no hydrogen 3.303 N/A SER 374.A N MET 370.A O no hydrogen 3.022 N/A SER 374.A OG MET 370.A O no hydrogen 3.344 N/A SER 375.A N LEU 372.A O no hydrogen 3.209 N/A SER 375.A OG LEU 372.A O no hydrogen 2.521 N/A PHE 376.A N ALA 373.A O no hydrogen 3.073 N/A PHE 380.A N PHE 376.A O no hydrogen 3.155 N/A ASN 382.A ND2 ASN 378.A O no hydrogen 2.422 N/A GLY 386.A N ASN 382.A O no hydrogen 3.133 N/A LYS 389.A NZ GLN 428.A OE1 no hydrogen 2.833 N/A THR 392.A OG1 ASP 388.A O no hydrogen 3.565 N/A GLY 395.A N ASP 394.A OD1 no hydrogen 2.679 N/A ASN 396.A N THR 392.A O no hydrogen 2.570 N/A LYS 397.A N ASP 393.A O no hydrogen 2.778 N/A TRP 398.A N ASP 394.A O no hydrogen 3.442 N/A LEU 399.A N GLY 395.A O no hydrogen 2.520 N/A LYS 401.A NZ ASN 402.A OD1 no hydrogen 3.062 N/A HIS 405.A N ASP 404.A OD1 no hydrogen 2.727 N/A MET 407.A N LYS 403.A O no hydrogen 2.521 N/A LEU 408.A N ASP 404.A O no hydrogen 2.990 N/A SER 409.A N HIS 405.A O no hydrogen 3.078 N/A SER 409.A OG HIS 405.A O no hydrogen 2.580 N/A ALA 410.A N GLY 406.A O no hydrogen 2.960 N/A ALA 411.A N MET 407.A O no hydrogen 3.344 N/A ALA 412.A N LEU 408.A O no hydrogen 2.895 N/A SER 413.A OG ALA 410.A O no hydrogen 2.456 N/A ILE 417.A N SER 413.A O no hydrogen 3.092 N/A LEU 418.A N LEU 414.A O no hydrogen 3.145 N/A ASP 421.A N VAL 451.A O no hydrogen 3.205 N/A GLY 424.A N ASP 423.A OD1 no hydrogen 2.698 N/A THR 427.A OG1 GLY 424.A O no hydrogen 2.609 N/A GLN 428.A N GLY 425.A O no hydrogen 3.277 N/A ASP 430.A N LEU 426.A O no hydrogen 3.078 N/A LEU 433.A N ASP 430.A O no hydrogen 3.242 N/A SER 435.A N LEU 433.A O no hydrogen 2.875 N/A SER 436.A OG SER 436.A O no hydrogen 2.552 N/A LYS 441.A N GLU 437.A O no hydrogen 3.419 N/A LYS 441.A NZ LEU 433.A O no hydrogen 2.833 N/A SER 442.A N ASP 438.A O no hydrogen 3.218 N/A SER 442.A OG ASP 438.A O no hydrogen 2.881 N/A SER 442.A OG THR 476.A OG1 no hydrogen 3.228 N/A GLY 443.A N TYR 439.A O no hydrogen 3.207 N/A ALA 444.A N ILE 440.A O no hydrogen 2.919 N/A LEU 445.A N LYS 441.A O no hydrogen 2.752 N/A ALA 447.A N GLY 443.A O no hydrogen 3.101 N/A CYS 448.A N ALA 444.A O no hydrogen 2.999 N/A CYS 448.A SG ALA 444.A O no hydrogen 3.334 N/A GLY 449.A N LEU 446.A O no hydrogen 3.185 N/A VAL 451.A N ALA 447.A O no hydrogen 3.018 N/A ASN 452.A N CYS 448.A O no hydrogen 3.261 N/A SER 453.A N ILE 450.A O no hydrogen 3.340 N/A VAL 455.A N ASN 452.A O no hydrogen 3.282 N/A ARG 456.A NE SER 492.A OG no hydrogen 2.500 N/A CYS 459.A SG ASP 460.A OD1 no hydrogen 3.377 N/A SER 467.A OG LEU 463.A O no hydrogen 3.024 N/A SER 467.A OG ALA 464.A O no hydrogen 2.428 N/A ASP 468.A N ALA 464.A O no hydrogen 2.762 N/A TYR 469.A N LEU 465.A O no hydrogen 2.998 N/A VAL 470.A N LEU 466.A O no hydrogen 3.115 N/A HIS 472.A N TYR 469.A O no hydrogen 3.133 N/A HIS 472.A ND1 TYR 469.A O no hydrogen 2.300 N/A SER 474.A OG ASN 473.A OD1 no hydrogen 3.470 N/A THR 476.A OG1 ASP 438.A OD2 no hydrogen 2.919 N/A THR 476.A OG1 SER 442.A OG no hydrogen 3.228 N/A ARG 478.A N ASN 475.A O no hydrogen 2.563 N/A GLY 480.A N THR 476.A O no hydrogen 2.449 N/A GLY 486.A N ILE 482.A O no hydrogen 3.507 N/A LEU 487.A N PHE 483.A O no hydrogen 2.880 N/A ALA 488.A N GLY 484.A O no hydrogen 2.687 N/A TYR 489.A N LEU 485.A O no hydrogen 2.791 N/A TYR 489.A OH ASN 457.A O no hydrogen 3.293 N/A ARG 494.A NE ASP 496.A OD1 no hydrogen 2.697 N/A ARG 494.A NH2 ASP 496.A OD1 no hydrogen 3.366 N/A ARG 494.A NH2 ASP 496.A OD2 no hydrogen 2.542 N/A VAL 497.A N ASP 496.A OD1 no hydrogen 2.681 N/A THR 499.A N GLU 495.A O no hydrogen 2.982 N/A THR 499.A OG1 GLU 495.A O no hydrogen 3.301 N/A THR 499.A OG1 ASP 496.A O no hydrogen 2.394 N/A LEU 500.A N ASP 496.A O no hydrogen 2.778 N/A LEU 501.A N VAL 497.A O no hydrogen 2.947 N/A GLY 506.A N LEU 502.A O no hydrogen 2.919 N/A SER 508.A OG SER 508.A O no hydrogen 2.515 N/A SER 510.A OG SER 508.A O no hydrogen 3.201 N/A GLU 513.A N GLU 513.A OE1 no hydrogen 2.791 N/A ALA 515.A N SER 511.A O no hydrogen 3.251 N/A GLY 516.A N MET 512.A O no hydrogen 2.983 N/A VAL 517.A N GLU 513.A O no hydrogen 3.099 N/A THR 518.A N VAL 514.A O no hydrogen 2.947 N/A THR 518.A OG1 VAL 514.A O no hydrogen 2.344 N/A ALA 519.A N ALA 515.A O no hydrogen 3.367 N/A LEU 520.A N GLY 516.A O no hydrogen 3.311 N/A ALA 521.A N VAL 517.A O no hydrogen 2.759 N/A CYS 522.A N THR 518.A O no hydrogen 3.007 N/A CYS 522.A SG THR 518.A O no hydrogen 3.340 N/A CYS 522.A SG ALA 519.A O no hydrogen 3.370 N/A GLY 523.A N ALA 519.A O no hydrogen 2.989 N/A MET 524.A N LEU 520.A O no hydrogen 3.264 N/A ILE 525.A N CYS 522.A O no hydrogen 3.215 N/A ALA 526.A N CYS 522.A O no hydrogen 3.515 N/A CYS 530.A SG GLU 495.A OE2 no hydrogen 3.681 N/A CYS 530.A SG ASP 533.A OD2 no hydrogen 3.266 N/A ASN 531.A ND2 ASN 531.A O no hydrogen 2.744 N/A ASP 533.A N CYS 530.A O no hydrogen 3.148 N/A THR 535.A N ASN 531.A O no hydrogen 2.947 N/A THR 535.A OG1 ASN 531.A O no hydrogen 3.319 N/A SER 536.A N GLY 532.A O no hydrogen 2.781 N/A SER 536.A OG GLY 532.A O no hydrogen 3.224 N/A SER 536.A OG ASP 533.A O no hydrogen 2.784 N/A THR 537.A N ASP 533.A O no hydrogen 2.944 N/A THR 537.A OG1 ASP 533.A O no hydrogen 3.058 N/A THR 537.A OG1 VAL 534.A O no hydrogen 2.936 N/A ILE 538.A N VAL 534.A O no hydrogen 3.372 N/A LEU 539.A N THR 535.A O no hydrogen 3.160 N/A GLN 540.A NE2 GLU 544.A OE2 no hydrogen 2.672 N/A THR 541.A N THR 537.A O no hydrogen 3.053 N/A THR 541.A OG1 THR 537.A O no hydrogen 2.861 N/A ILE 542.A N ILE 538.A O no hydrogen 3.007 N/A MET 543.A N LEU 539.A O no hydrogen 2.990 N/A GLU 544.A N GLN 540.A O no hydrogen 2.890 N/A LYS 545.A N THR 541.A O no hydrogen 2.836 N/A LYS 545.A NZ PHE 587.A O no hydrogen 3.434 N/A SER 546.A OG ILE 542.A O no hydrogen 2.443 N/A GLU 547.A N GLU 544.A O no hydrogen 3.024 N/A TYR 554.A N LYS 551.A O no hydrogen 3.294 N/A ARG 556.A N ASP 552.A O no hydrogen 2.445 N/A ARG 556.A NE ASP 552.A O no hydrogen 3.545 N/A ARG 556.A NH1 ASP 784.A O no hydrogen 2.540 N/A LEU 558.A N TYR 554.A O no hydrogen 3.298 N/A GLY 563.A N PRO 559.A O no hydrogen 3.353 N/A LEU 564.A N LEU 560.A O no hydrogen 2.792 N/A ASN 565.A N GLY 561.A O no hydrogen 2.873 N/A ASN 565.A ND2 SER 529.A O no hydrogen 3.332 N/A ASN 565.A ND2 ASN 565.A O no hydrogen 2.684 N/A HIS 566.A N GLY 563.A O no hydrogen 3.188 N/A GLY 568.A N CYS 598.A O no hydrogen 3.141 N/A LYS 569.A N ALA 599.A O no hydrogen 2.629 N/A LYS 569.A NZ VAL 527.A O no hydrogen 3.040 N/A LYS 569.A NZ LEU 567.A O no hydrogen 2.874 N/A LEU 577.A N ILE 573.A O no hydrogen 2.596 N/A ALA 578.A N GLU 574.A O no hydrogen 2.952 N/A ALA 579.A N ALA 575.A O no hydrogen 3.057 N/A GLU 581.A N ALA 578.A O no hydrogen 3.035 N/A VAL 582.A N ALA 578.A O no hydrogen 3.133 N/A SER 584.A OG VAL 582.A O no hydrogen 2.670 N/A PHE 587.A N GLU 585.A OE1 no hydrogen 2.896 N/A ARG 588.A N GLU 585.A O no hydrogen 2.937 N/A SER 589.A N GLU 585.A O no hydrogen 2.762 N/A SER 589.A OG SER 584.A O no hydrogen 3.412 N/A SER 589.A OG GLU 585.A O no hydrogen 3.312 N/A ALA 591.A N ARG 588.A O no hydrogen 3.245 N/A ASN 592.A N SER 589.A O no hydrogen 3.343 N/A LEU 594.A N ALA 591.A O no hydrogen 3.327 N/A VAL 597.A N LEU 594.A O no hydrogen 3.289 N/A CYS 598.A N LEU 594.A O no hydrogen 2.951 N/A CYS 598.A SG LEU 594.A O no hydrogen 3.200 N/A TYR 600.A N VAL 597.A O no hydrogen 2.848 N/A SER 603.A OG GLY 602.A O no hydrogen 2.604 N/A LYS 608.A N ASN 605.A O no hydrogen 2.567 N/A VAL 609.A N VAL 606.A O no hydrogen 2.803 N/A GLN 610.A N VAL 606.A O no hydrogen 3.013 N/A LEU 612.A N LYS 608.A O no hydrogen 2.848 N/A LEU 613.A N GLN 610.A O no hydrogen 3.048 N/A HIS 614.A N GLN 610.A O no hydrogen 2.637 N/A CYS 616.A SG ASP 628.A OD2 no hydrogen 3.824 N/A SER 617.A OG LEU 613.A O no hydrogen 2.327 N/A LYS 623.A N ASP 621.A O no hydrogen 2.542 N/A LYS 625.A N ASP 621.A OD2 no hydrogen 3.270 N/A LYS 625.A NZ ASP 621.A OD1 no hydrogen 2.991 N/A GLU 627.A N GLU 627.A OE1 no hydrogen 2.795 N/A ASP 628.A N LYS 625.A O no hydrogen 2.734 N/A LYS 629.A NZ ASP 621.A OD2 no hydrogen 3.261 N/A LYS 629.A NZ GLU 626.A OE1 no hydrogen 3.088 N/A LYS 631.A N GLU 627.A O no hydrogen 2.929 N/A LYS 631.A NZ SER 783.A OG no hydrogen 3.155 N/A LYS 632.A N ASP 628.A O no hydrogen 2.654 N/A GLU 633.A N LYS 629.A O no hydrogen 3.045 N/A LYS 634.A N ASP 630.A O no hydrogen 2.719 N/A LYS 635.A N LYS 631.A O no hydrogen 3.123 N/A LYS 635.A NZ THR 593.A O no hydrogen 3.050 N/A ASP 636.A N GLU 633.A O no hydrogen 3.004 N/A LYS 637.A N LYS 634.A O no hydrogen 3.240 N/A LYS 639.A N ALA 601.A O no hydrogen 2.893 N/A LYS 640.A NZ ASP 636.A OD2 no hydrogen 2.555 N/A GLY 651.A N GLY 647.A O no hydrogen 2.559 N/A VAL 652.A N ALA 648.A O no hydrogen 3.050 N/A ALA 653.A N HIS 649.A O no hydrogen 3.082 N/A VAL 654.A N GLN 650.A O no hydrogen 2.962 N/A LEU 655.A N GLY 651.A O no hydrogen 3.030 N/A GLY 656.A N VAL 652.A O no hydrogen 3.333 N/A LEU 659.A N ILE 657.A O no hydrogen 2.864 N/A ALA 661.A N ILE 657.A O no hydrogen 3.096 N/A ALA 668.A N GLU 664.A O no hydrogen 3.195 N/A ALA 671.A N GLY 667.A O no hydrogen 3.210 N/A ARG 673.A N MET 670.A O no hydrogen 3.171 N/A PHE 675.A N LEU 672.A O no hydrogen 3.057 N/A HIS 677.A N THR 674.A O no hydrogen 2.748 N/A LEU 678.A N THR 674.A O no hydrogen 2.422 N/A ARG 680.A NH1 VAL 762.A O no hydrogen 2.571 N/A ARG 687.A N GLU 683.A O no hydrogen 3.141 N/A ALA 689.A N THR 685.A O no hydrogen 3.113 N/A VAL 690.A N LEU 686.A O no hydrogen 3.171 N/A ALA 693.A N VAL 690.A O no hydrogen 2.880 N/A ALA 695.A N PRO 691.A O no hydrogen 3.084 N/A ASN 705.A N PRO 702.A O no hydrogen 2.765 N/A ASN 705.A ND2 GLU 669.A OE1 no hydrogen 3.009 N/A ASN 705.A ND2 GLU 669.A OE2 no hydrogen 2.793 N/A ILE 706.A N ASN 705.A OD1 no hydrogen 2.475 N/A LEU 707.A N ARG 703.A O no hydrogen 2.591 N/A ASP 708.A N LEU 704.A O no hydrogen 2.565 N/A THR 709.A N ASN 705.A O no hydrogen 3.261 N/A THR 709.A OG1 ILE 706.A O no hydrogen 2.272 N/A LEU 710.A N ILE 706.A O no hydrogen 2.848 N/A SER 711.A N LEU 707.A O no hydrogen 3.259 N/A SER 711.A N ASP 708.A O no hydrogen 3.147 N/A SER 711.A OG ASP 708.A O no hydrogen 2.570 N/A LYS 712.A N ASP 708.A O no hydrogen 3.428 N/A SER 714.A N SER 711.A O no hydrogen 3.348 N/A ASN 724.A N VAL 721.A O no hydrogen 3.440 N/A SER 725.A N SER 722.A O no hydrogen 2.921 N/A ILE 726.A N SER 722.A O no hydrogen 3.253 N/A PHE 727.A N TYR 723.A O no hydrogen 2.847 N/A MET 729.A N SER 725.A O no hydrogen 3.201 N/A GLY 730.A N ILE 726.A O no hydrogen 2.693 N/A MET 731.A N PHE 727.A O no hydrogen 3.050 N/A VAL 732.A N ALA 728.A O no hydrogen 3.208 N/A SER 734.A OG MET 731.A O no hydrogen 3.100 N/A THR 736.A OG1 VAL 732.A O no hydrogen 2.356 N/A LEU 741.A N ASN 738.A O no hydrogen 3.212 N/A ARG 746.A N ALA 742.A O no hydrogen 2.879 N/A ARG 746.A NE ALA 742.A O no hydrogen 2.441 N/A ARG 746.A NH1 GLY 733.A O no hydrogen 2.936 N/A ARG 746.A NH1 ASN 737.A O no hydrogen 2.751 N/A ARG 746.A NH2 GLY 733.A O no hydrogen 2.808 N/A LEU 748.A N MET 744.A O no hydrogen 2.624 N/A ALA 749.A N LEU 745.A O no hydrogen 2.769 N/A GLN 750.A N ARG 746.A O no hydrogen 2.601 N/A TYR 751.A N GLN 747.A O no hydrogen 2.934 N/A HIS 752.A N ALA 749.A O no hydrogen 3.380 N/A ARG 763.A NH2 ARG 680.A O no hydrogen 2.857 N/A GLN 766.A N HIS 770.A O no hydrogen 3.114 N/A HIS 770.A N GLN 766.A O no hydrogen 3.402 N/A GLY 774.A N ASP 805.A OD2 no hydrogen 3.056 N/A THR 777.A N GLY 774.A O no hydrogen 3.393 N/A THR 777.A OG1 ASP 805.A OD2 no hydrogen 2.325 N/A CYS 779.A N THR 775.A O no hydrogen 3.108 N/A TYR 781.A N LEU 778.A O no hydrogen 2.877 N/A SER 783.A N CYS 779.A O no hydrogen 3.105 N/A SER 783.A OG ARG 556.A O no hydrogen 3.411 N/A ARG 785.A N TYR 781.A O no hydrogen 3.041 N/A ARG 785.A NE ASP 784.A OD2 no hydrogen 3.286 N/A ARG 785.A NH2 ASP 784.A OD2 no hydrogen 2.634 N/A ARG 785.A NH2 GLN 790.A O no hydrogen 3.275 N/A GLN 786.A N ASP 784.A O no hydrogen 2.775 N/A SER 789.A OG MET 788.A O no hydrogen 2.542 N/A LEU 797.A N ALA 794.A O no hydrogen 3.346 N/A VAL 799.A N GLY 795.A O no hydrogen 2.653 N/A SER 802.A OG THR 777.A O no hydrogen 3.274 N/A ARG 807.A N MET 761.A O no hydrogen 3.369 N/A LYS 813.A NZ TYR 819.A OH no hydrogen 2.396 N/A SER 814.A OG LEU 821.A O no hydrogen 3.259 N/A SER 814.A OG VAL 822.A O no hydrogen 2.562 N/A TYR 819.A N TYR 816.A O no hydrogen 2.769 N/A GLN 826.A N THR 863.A O no hydrogen 2.548 N/A ARG 828.A NH1 THR 863.A OG1 no hydrogen 2.551 N/A ARG 828.A NH2 SER 843.A O no hydrogen 3.275 N/A ASP 834.A N GLU 836.A OE1 no hydrogen 3.148 N/A GLY 854.A N VAL 852.A O no hydrogen 2.434 N/A LYS 860.A N LYS 858.A O no hydrogen 3.127 N/A THR 863.A N GLN 826.A O no hydrogen 3.428 N/A HIS 868.A NE2 LEU 882.A O no hydrogen 3.013 N/A THR 869.A OG1 HIS 868.A O no hydrogen 2.600 N/A HIS 876.A ND1 ALA 875.A O no hydrogen 2.407 N/A