USER MOD reduce.3.24.130724 H: found=0, std=0, add=338, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 SER OG : rot -137:sc= 1.31 USER MOD Set 1.2: A 44 HIS : no HD1:sc= -0.0628 K(o=0.23,f=-2) USER MOD Set 1.3: A 45 ASN : amide:sc= -1.01 K(o=0.23,f=1.6) USER MOD Single : A 29 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.044) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.65! K(o=-1.6!,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0122) USER MOD Single : A 54 THR OG1 : rot 130:sc= -0.594 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 150:sc= -1.44 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 355 N ALA A 23 50.232 -16.768 24.448 1.00 0.00 N ATOM 356 CA ALA A 23 49.621 -17.260 25.717 1.00 0.00 C ATOM 357 C ALA A 23 50.653 -17.425 26.862 1.00 0.00 C ATOM 358 O ALA A 23 50.286 -17.436 28.046 1.00 0.00 O ATOM 359 CB ALA A 23 48.880 -18.578 25.451 1.00 0.00 C ATOM 0 HA ALA A 23 48.915 -16.503 26.057 1.00 0.00 H new ATOM 0 HB1 ALA A 23 48.433 -18.938 26.378 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.097 -18.412 24.711 1.00 0.00 H new ATOM 0 HB3 ALA A 23 49.583 -19.321 25.075 1.00 0.00 H new ATOM 365 N ALA A 24 51.934 -17.556 26.483 1.00 0.00 N ATOM 366 CA ALA A 24 53.083 -17.543 27.409 1.00 0.00 C ATOM 367 C ALA A 24 54.335 -17.093 26.643 1.00 0.00 C ATOM 368 O ALA A 24 54.340 -17.128 25.413 1.00 0.00 O ATOM 369 CB ALA A 24 53.299 -18.939 28.025 1.00 0.00 C ATOM 0 H ALA A 24 52.208 -17.676 25.508 1.00 0.00 H new ATOM 0 HA ALA A 24 52.884 -16.846 28.224 1.00 0.00 H new ATOM 0 HB1 ALA A 24 54.151 -18.909 28.705 1.00 0.00 H new ATOM 0 HB2 ALA A 24 52.406 -19.236 28.575 1.00 0.00 H new ATOM 0 HB3 ALA A 24 53.493 -19.661 27.232 1.00 0.00 H new ATOM 375 N GLU A 25 55.383 -16.644 27.366 1.00 0.00 N ATOM 376 CA GLU A 25 56.719 -16.412 26.766 1.00 0.00 C ATOM 377 C GLU A 25 57.711 -17.460 27.313 1.00 0.00 C ATOM 378 O GLU A 25 58.918 -17.237 27.384 1.00 0.00 O ATOM 379 CB GLU A 25 57.230 -14.952 26.982 1.00 0.00 C ATOM 380 CG GLU A 25 57.642 -14.557 28.417 1.00 0.00 C ATOM 381 CD GLU A 25 56.468 -14.345 29.378 1.00 0.00 C ATOM 382 OE1 GLU A 25 56.036 -15.314 30.034 1.00 0.00 O ATOM 383 OE2 GLU A 25 55.969 -13.207 29.478 1.00 0.00 O ATOM 0 H GLU A 25 55.333 -16.435 28.363 1.00 0.00 H new ATOM 0 HA GLU A 25 56.636 -16.531 25.686 1.00 0.00 H new ATOM 0 HB2 GLU A 25 58.087 -14.793 26.328 1.00 0.00 H new ATOM 0 HB3 GLU A 25 56.448 -14.268 26.654 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.291 -15.333 28.822 1.00 0.00 H new ATOM 0 HG3 GLU A 25 58.230 -13.640 28.374 1.00 0.00 H new ATOM 390 N ARG A 26 57.177 -18.642 27.648 1.00 0.00 N ATOM 391 CA ARG A 26 57.957 -19.773 28.162 1.00 0.00 C ATOM 392 C ARG A 26 58.602 -20.544 26.990 1.00 0.00 C ATOM 393 O ARG A 26 58.012 -21.476 26.448 1.00 0.00 O ATOM 394 CB ARG A 26 57.028 -20.669 29.039 1.00 0.00 C ATOM 395 CG ARG A 26 57.622 -22.019 29.506 1.00 0.00 C ATOM 396 CD ARG A 26 56.786 -22.685 30.610 1.00 0.00 C ATOM 397 NE ARG A 26 57.150 -24.097 30.822 1.00 0.00 N ATOM 398 CZ ARG A 26 57.076 -24.745 31.992 1.00 0.00 C ATOM 399 NH1 ARG A 26 56.763 -24.099 33.113 1.00 0.00 N ATOM 400 NH2 ARG A 26 57.298 -26.043 32.037 1.00 0.00 N ATOM 0 H ARG A 26 56.180 -18.841 27.568 1.00 0.00 H new ATOM 0 HA ARG A 26 58.775 -19.424 28.793 1.00 0.00 H new ATOM 0 HB2 ARG A 26 56.737 -20.099 29.922 1.00 0.00 H new ATOM 0 HB3 ARG A 26 56.117 -20.872 28.476 1.00 0.00 H new ATOM 0 HG2 ARG A 26 57.694 -22.694 28.653 1.00 0.00 H new ATOM 0 HG3 ARG A 26 58.636 -21.858 29.871 1.00 0.00 H new ATOM 0 HD2 ARG A 26 56.918 -22.136 31.542 1.00 0.00 H new ATOM 0 HD3 ARG A 26 55.730 -22.621 30.349 1.00 0.00 H new ATOM 0 HE ARG A 26 57.485 -24.622 30.014 1.00 0.00 H new ATOM 0 HH11 ARG A 26 56.576 -23.097 33.089 1.00 0.00 H new ATOM 0 HH12 ARG A 26 56.711 -24.606 33.996 1.00 0.00 H new ATOM 0 HH21 ARG A 26 57.525 -26.551 31.182 1.00 0.00 H new ATOM 0 HH22 ARG A 26 57.242 -26.539 32.926 1.00 0.00 H new ATOM 414 N ARG A 27 59.804 -20.083 26.553 1.00 0.00 N ATOM 415 CA ARG A 27 60.563 -20.743 25.470 1.00 0.00 C ATOM 416 C ARG A 27 61.258 -22.006 26.003 1.00 0.00 C ATOM 417 O ARG A 27 62.402 -21.956 26.473 1.00 0.00 O ATOM 418 CB ARG A 27 61.611 -19.803 24.783 1.00 0.00 C ATOM 419 CG ARG A 27 61.024 -18.622 23.964 1.00 0.00 C ATOM 420 CD ARG A 27 60.703 -17.378 24.804 1.00 0.00 C ATOM 421 NE ARG A 27 61.921 -16.790 25.391 1.00 0.00 N ATOM 422 CZ ARG A 27 61.966 -15.808 26.309 1.00 0.00 C ATOM 423 NH1 ARG A 27 60.855 -15.307 26.841 1.00 0.00 N ATOM 424 NH2 ARG A 27 63.140 -15.327 26.692 1.00 0.00 N ATOM 0 H ARG A 27 60.263 -19.257 26.937 1.00 0.00 H new ATOM 0 HA ARG A 27 59.836 -21.012 24.703 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.266 -19.396 25.553 1.00 0.00 H new ATOM 0 HB3 ARG A 27 62.233 -20.406 24.121 1.00 0.00 H new ATOM 0 HG2 ARG A 27 61.733 -18.347 23.183 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.114 -18.956 23.466 1.00 0.00 H new ATOM 0 HD2 ARG A 27 60.204 -16.636 24.180 1.00 0.00 H new ATOM 0 HD3 ARG A 27 60.007 -17.645 25.600 1.00 0.00 H new ATOM 0 HE ARG A 27 62.814 -17.163 25.070 1.00 0.00 H new ATOM 0 HH11 ARG A 27 59.945 -15.667 26.554 1.00 0.00 H new ATOM 0 HH12 ARG A 27 60.913 -14.562 27.536 1.00 0.00 H new ATOM 0 HH21 ARG A 27 64.000 -15.701 26.291 1.00 0.00 H new ATOM 0 HH22 ARG A 27 63.184 -14.582 27.388 1.00 0.00 H new ATOM 438 N VAL A 28 60.522 -23.123 25.966 1.00 0.00 N ATOM 439 CA VAL A 28 61.046 -24.458 26.299 1.00 0.00 C ATOM 440 C VAL A 28 61.314 -25.208 24.997 1.00 0.00 C ATOM 441 O VAL A 28 60.684 -24.919 23.986 1.00 0.00 O ATOM 442 CB VAL A 28 60.041 -25.296 27.187 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.898 -24.691 28.594 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.667 -25.424 26.499 1.00 0.00 C ATOM 0 H VAL A 28 59.537 -23.128 25.702 1.00 0.00 H new ATOM 0 HA VAL A 28 61.960 -24.330 26.879 1.00 0.00 H new ATOM 0 HB VAL A 28 60.456 -26.298 27.298 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.200 -25.291 29.179 1.00 0.00 H new ATOM 0 HG12 VAL A 28 60.870 -24.682 29.087 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.522 -23.671 28.515 1.00 0.00 H new ATOM 0 HG21 VAL A 28 57.996 -26.005 27.132 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.246 -24.431 26.339 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.786 -25.926 25.539 1.00 0.00 H new ATOM 454 N ASN A 29 62.245 -26.171 25.040 1.00 0.00 N ATOM 455 CA ASN A 29 62.542 -27.059 23.895 1.00 0.00 C ATOM 456 C ASN A 29 61.261 -27.828 23.482 1.00 0.00 C ATOM 457 O ASN A 29 60.404 -28.091 24.339 1.00 0.00 O ATOM 458 CB ASN A 29 63.669 -28.057 24.261 1.00 0.00 C ATOM 459 CG ASN A 29 64.929 -27.371 24.794 1.00 0.00 C ATOM 460 OD1 ASN A 29 65.814 -26.993 24.035 1.00 0.00 O ATOM 461 ND2 ASN A 29 65.014 -27.210 26.103 1.00 0.00 N ATOM 0 H ASN A 29 62.815 -26.360 25.865 1.00 0.00 H new ATOM 0 HA ASN A 29 62.880 -26.450 23.056 1.00 0.00 H new ATOM 0 HB2 ASN A 29 63.298 -28.756 25.011 1.00 0.00 H new ATOM 0 HB3 ASN A 29 63.927 -28.643 23.379 1.00 0.00 H new ATOM 0 HD21 ASN A 29 65.834 -26.760 26.509 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.260 -27.536 26.707 1.00 0.00 H new ATOM 468 N SER A 30 61.152 -28.177 22.178 1.00 0.00 N ATOM 469 CA SER A 30 59.951 -28.838 21.581 1.00 0.00 C ATOM 470 C SER A 30 59.473 -30.099 22.356 1.00 0.00 C ATOM 471 O SER A 30 58.299 -30.469 22.285 1.00 0.00 O ATOM 472 CB SER A 30 60.245 -29.199 20.102 1.00 0.00 C ATOM 473 OG SER A 30 61.387 -30.038 19.979 1.00 0.00 O ATOM 0 H SER A 30 61.896 -28.010 21.501 1.00 0.00 H new ATOM 0 HA SER A 30 59.133 -28.120 21.648 1.00 0.00 H new ATOM 0 HB2 SER A 30 59.378 -29.700 19.671 1.00 0.00 H new ATOM 0 HB3 SER A 30 60.402 -28.285 19.529 1.00 0.00 H new ATOM 0 HG SER A 30 61.937 -29.734 19.227 1.00 0.00 H new ATOM 479 N GLN A 31 60.395 -30.747 23.087 1.00 0.00 N ATOM 480 CA GLN A 31 60.097 -31.930 23.932 1.00 0.00 C ATOM 481 C GLN A 31 58.986 -31.624 24.965 1.00 0.00 C ATOM 482 O GLN A 31 58.112 -32.453 25.219 1.00 0.00 O ATOM 483 CB GLN A 31 61.402 -32.397 24.636 1.00 0.00 C ATOM 484 CG GLN A 31 62.077 -31.316 25.513 1.00 0.00 C ATOM 485 CD GLN A 31 63.391 -31.755 26.157 1.00 0.00 C ATOM 486 OE1 GLN A 31 64.131 -32.566 25.606 1.00 0.00 O ATOM 487 NE2 GLN A 31 63.693 -31.216 27.331 1.00 0.00 N ATOM 0 H GLN A 31 61.376 -30.468 23.113 1.00 0.00 H new ATOM 0 HA GLN A 31 59.724 -32.733 23.295 1.00 0.00 H new ATOM 0 HB2 GLN A 31 61.175 -33.263 25.258 1.00 0.00 H new ATOM 0 HB3 GLN A 31 62.112 -32.727 23.877 1.00 0.00 H new ATOM 0 HG2 GLN A 31 62.264 -30.434 24.901 1.00 0.00 H new ATOM 0 HG3 GLN A 31 61.383 -31.018 26.299 1.00 0.00 H new ATOM 0 HE21 GLN A 31 63.057 -30.545 27.763 1.00 0.00 H new ATOM 0 HE22 GLN A 31 64.561 -31.472 27.802 1.00 0.00 H new ATOM 496 N ALA A 32 59.024 -30.406 25.525 1.00 0.00 N ATOM 497 CA ALA A 32 58.044 -29.923 26.504 1.00 0.00 C ATOM 498 C ALA A 32 57.030 -28.965 25.838 1.00 0.00 C ATOM 499 O ALA A 32 56.556 -28.022 26.477 1.00 0.00 O ATOM 500 CB ALA A 32 58.806 -29.250 27.661 1.00 0.00 C ATOM 0 H ALA A 32 59.747 -29.721 25.306 1.00 0.00 H new ATOM 0 HA ALA A 32 57.464 -30.756 26.901 1.00 0.00 H new ATOM 0 HB1 ALA A 32 58.094 -28.883 28.401 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.473 -29.975 28.127 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.390 -28.415 27.275 1.00 0.00 H new ATOM 506 N LEU A 33 56.668 -29.271 24.566 1.00 0.00 N ATOM 507 CA LEU A 33 55.753 -28.463 23.705 1.00 0.00 C ATOM 508 C LEU A 33 54.450 -27.991 24.396 1.00 0.00 C ATOM 509 O LEU A 33 53.863 -26.983 23.985 1.00 0.00 O ATOM 510 CB LEU A 33 55.376 -29.249 22.407 1.00 0.00 C ATOM 511 CG LEU A 33 54.403 -30.481 22.546 1.00 0.00 C ATOM 512 CD1 LEU A 33 53.994 -31.006 21.157 1.00 0.00 C ATOM 513 CD2 LEU A 33 55.007 -31.621 23.399 1.00 0.00 C ATOM 0 H LEU A 33 57.011 -30.108 24.094 1.00 0.00 H new ATOM 0 HA LEU A 33 56.324 -27.565 23.471 1.00 0.00 H new ATOM 0 HB2 LEU A 33 54.925 -28.544 21.709 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.300 -29.603 21.950 1.00 0.00 H new ATOM 0 HG LEU A 33 53.515 -30.127 23.070 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.322 -31.857 21.273 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.487 -30.215 20.604 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.883 -31.318 20.610 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.295 -32.444 23.462 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.929 -31.973 22.936 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.223 -31.250 24.401 1.00 0.00 H new ATOM 525 N LEU A 34 53.983 -28.723 25.418 1.00 0.00 N ATOM 526 CA LEU A 34 52.789 -28.339 26.198 1.00 0.00 C ATOM 527 C LEU A 34 53.120 -28.328 27.699 1.00 0.00 C ATOM 528 O LEU A 34 52.912 -27.316 28.388 1.00 0.00 O ATOM 529 CB LEU A 34 51.598 -29.295 25.886 1.00 0.00 C ATOM 530 CG LEU A 34 51.065 -29.276 24.406 1.00 0.00 C ATOM 531 CD1 LEU A 34 49.942 -30.310 24.191 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.587 -27.864 24.001 1.00 0.00 C ATOM 0 H LEU A 34 54.416 -29.593 25.729 1.00 0.00 H new ATOM 0 HA LEU A 34 52.487 -27.332 25.909 1.00 0.00 H new ATOM 0 HB2 LEU A 34 51.903 -30.313 26.128 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.772 -29.043 26.551 1.00 0.00 H new ATOM 0 HG LEU A 34 51.900 -29.552 23.762 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.600 -30.266 23.157 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.321 -31.309 24.406 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.109 -30.087 24.858 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.225 -27.883 22.973 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.781 -27.549 24.664 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.417 -27.162 24.080 1.00 0.00 H new ATOM 544 N GLY A 35 53.646 -29.460 28.190 1.00 0.00 N ATOM 545 CA GLY A 35 53.933 -29.641 29.618 1.00 0.00 C ATOM 546 C GLY A 35 52.663 -29.750 30.460 1.00 0.00 C ATOM 547 O GLY A 35 51.598 -30.098 29.923 1.00 0.00 O ATOM 0 H GLY A 35 53.882 -30.268 27.614 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.533 -30.541 29.754 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.531 -28.802 29.974 1.00 0.00 H new ATOM 551 N PRO A 36 52.727 -29.478 31.798 1.00 0.00 N ATOM 552 CA PRO A 36 51.513 -29.401 32.654 1.00 0.00 C ATOM 553 C PRO A 36 50.764 -28.055 32.481 1.00 0.00 C ATOM 554 O PRO A 36 49.665 -27.865 33.013 1.00 0.00 O ATOM 555 CB PRO A 36 52.095 -29.565 34.071 1.00 0.00 C ATOM 556 CG PRO A 36 53.447 -28.913 33.983 1.00 0.00 C ATOM 557 CD PRO A 36 53.973 -29.242 32.594 1.00 0.00 C ATOM 0 HA PRO A 36 50.762 -30.152 32.408 1.00 0.00 H new ATOM 0 HB2 PRO A 36 51.467 -29.083 34.820 1.00 0.00 H new ATOM 0 HB3 PRO A 36 52.175 -30.615 34.351 1.00 0.00 H new ATOM 0 HG2 PRO A 36 53.372 -27.835 34.128 1.00 0.00 H new ATOM 0 HG3 PRO A 36 54.116 -29.293 34.755 1.00 0.00 H new ATOM 0 HD2 PRO A 36 54.563 -28.423 32.183 1.00 0.00 H new ATOM 0 HD3 PRO A 36 54.615 -30.123 32.606 1.00 0.00 H new ATOM 565 N ASP A 37 51.394 -27.139 31.736 1.00 0.00 N ATOM 566 CA ASP A 37 50.867 -25.801 31.444 1.00 0.00 C ATOM 567 C ASP A 37 49.834 -25.867 30.317 1.00 0.00 C ATOM 568 O ASP A 37 48.751 -25.287 30.422 1.00 0.00 O ATOM 569 CB ASP A 37 52.032 -24.872 31.030 1.00 0.00 C ATOM 570 CG ASP A 37 53.084 -24.700 32.138 1.00 0.00 C ATOM 571 OD1 ASP A 37 53.912 -25.617 32.333 1.00 0.00 O ATOM 572 OD2 ASP A 37 53.059 -23.672 32.842 1.00 0.00 O ATOM 0 H ASP A 37 52.305 -27.311 31.310 1.00 0.00 H new ATOM 0 HA ASP A 37 50.382 -25.408 32.337 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.513 -25.276 30.139 1.00 0.00 H new ATOM 0 HB3 ASP A 37 51.632 -23.894 30.761 1.00 0.00 H new ATOM 577 N GLY A 38 50.208 -26.564 29.230 1.00 0.00 N ATOM 578 CA GLY A 38 49.349 -26.725 28.052 1.00 0.00 C ATOM 579 C GLY A 38 49.483 -25.597 27.029 1.00 0.00 C ATOM 580 O GLY A 38 49.007 -25.732 25.904 1.00 0.00 O ATOM 0 H GLY A 38 51.112 -27.029 29.147 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.587 -27.672 27.567 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.310 -26.786 28.377 1.00 0.00 H new ATOM 584 N LYS A 39 50.134 -24.482 27.412 1.00 0.00 N ATOM 585 CA LYS A 39 50.290 -23.305 26.537 1.00 0.00 C ATOM 586 C LYS A 39 51.670 -22.659 26.734 1.00 0.00 C ATOM 587 O LYS A 39 51.860 -21.797 27.590 1.00 0.00 O ATOM 588 CB LYS A 39 49.080 -22.314 26.727 1.00 0.00 C ATOM 589 CG LYS A 39 48.581 -22.052 28.181 1.00 0.00 C ATOM 590 CD LYS A 39 49.271 -20.849 28.869 1.00 0.00 C ATOM 591 CE LYS A 39 48.722 -20.561 30.271 1.00 0.00 C ATOM 592 NZ LYS A 39 49.479 -19.470 30.938 1.00 0.00 N ATOM 0 H LYS A 39 50.564 -24.372 28.330 1.00 0.00 H new ATOM 0 HA LYS A 39 50.260 -23.617 25.493 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.360 -21.355 26.290 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.239 -22.695 26.147 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.505 -21.879 28.161 1.00 0.00 H new ATOM 0 HG3 LYS A 39 48.749 -22.947 28.780 1.00 0.00 H new ATOM 0 HD2 LYS A 39 50.342 -21.042 28.937 1.00 0.00 H new ATOM 0 HD3 LYS A 39 49.146 -19.962 28.247 1.00 0.00 H new ATOM 0 HE2 LYS A 39 47.670 -20.285 30.201 1.00 0.00 H new ATOM 0 HE3 LYS A 39 48.775 -21.466 30.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 49.082 -19.300 31.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 50.478 -19.744 31.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 49.407 -18.601 30.371 1.00 0.00 H new ATOM 606 N VAL A 40 52.659 -23.128 25.945 1.00 0.00 N ATOM 607 CA VAL A 40 54.077 -22.696 26.072 1.00 0.00 C ATOM 608 C VAL A 40 54.715 -22.536 24.680 1.00 0.00 C ATOM 609 O VAL A 40 54.177 -23.035 23.682 1.00 0.00 O ATOM 610 CB VAL A 40 54.937 -23.700 26.936 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.350 -23.898 28.351 1.00 0.00 C ATOM 612 CG2 VAL A 40 55.114 -25.055 26.234 1.00 0.00 C ATOM 0 H VAL A 40 52.504 -23.813 25.205 1.00 0.00 H new ATOM 0 HA VAL A 40 54.070 -21.736 26.588 1.00 0.00 H new ATOM 0 HB VAL A 40 55.921 -23.245 27.043 1.00 0.00 H new ATOM 0 HG11 VAL A 40 54.974 -24.596 28.909 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.323 -22.940 28.871 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.339 -24.298 28.273 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.711 -25.715 26.863 1.00 0.00 H new ATOM 0 HG22 VAL A 40 54.137 -25.505 26.061 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.620 -24.907 25.280 1.00 0.00 H new ATOM 622 N ILE A 41 55.857 -21.825 24.614 1.00 0.00 N ATOM 623 CA ILE A 41 56.558 -21.565 23.344 1.00 0.00 C ATOM 624 C ILE A 41 57.551 -22.702 23.037 1.00 0.00 C ATOM 625 O ILE A 41 58.403 -23.039 23.862 1.00 0.00 O ATOM 626 CB ILE A 41 57.294 -20.179 23.348 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.273 -19.021 23.561 1.00 0.00 C ATOM 628 CG2 ILE A 41 58.100 -19.973 22.047 1.00 0.00 C ATOM 629 CD1 ILE A 41 56.844 -17.623 23.413 1.00 0.00 C ATOM 0 H ILE A 41 56.315 -21.419 25.430 1.00 0.00 H new ATOM 0 HA ILE A 41 55.804 -21.528 22.558 1.00 0.00 H new ATOM 0 HB ILE A 41 58.000 -20.171 24.178 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.458 -19.141 22.848 1.00 0.00 H new ATOM 0 HG13 ILE A 41 55.842 -19.117 24.557 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.599 -19.005 22.078 1.00 0.00 H new ATOM 0 HG22 ILE A 41 58.845 -20.763 21.952 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.425 -20.006 21.192 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.056 -16.889 23.580 1.00 0.00 H new ATOM 0 HD12 ILE A 41 57.638 -17.475 24.145 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.248 -17.500 22.408 1.00 0.00 H new ATOM 641 N ILE A 42 57.395 -23.277 21.844 1.00 0.00 N ATOM 642 CA ILE A 42 58.234 -24.348 21.307 1.00 0.00 C ATOM 643 C ILE A 42 59.512 -23.746 20.726 1.00 0.00 C ATOM 644 O ILE A 42 59.458 -22.932 19.804 1.00 0.00 O ATOM 645 CB ILE A 42 57.472 -25.171 20.182 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.355 -26.084 20.772 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.436 -26.015 19.319 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.293 -25.368 21.570 1.00 0.00 C ATOM 0 H ILE A 42 56.653 -22.999 21.202 1.00 0.00 H new ATOM 0 HA ILE A 42 58.478 -25.033 22.119 1.00 0.00 H new ATOM 0 HB ILE A 42 57.002 -24.425 19.541 1.00 0.00 H new ATOM 0 HG12 ILE A 42 55.873 -26.617 19.952 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.821 -26.835 21.410 1.00 0.00 H new ATOM 0 HG21 ILE A 42 57.868 -26.559 18.565 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.155 -25.359 18.828 1.00 0.00 H new ATOM 0 HG23 ILE A 42 58.967 -26.724 19.954 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.564 -26.091 21.936 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.755 -24.858 22.416 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.792 -24.637 20.935 1.00 0.00 H new ATOM 660 N ASP A 43 60.645 -24.157 21.281 1.00 0.00 N ATOM 661 CA ASP A 43 61.971 -23.802 20.795 1.00 0.00 C ATOM 662 C ASP A 43 62.540 -25.004 20.040 1.00 0.00 C ATOM 663 O ASP A 43 62.737 -26.079 20.625 1.00 0.00 O ATOM 664 CB ASP A 43 62.880 -23.390 21.976 1.00 0.00 C ATOM 665 CG ASP A 43 64.306 -23.019 21.537 1.00 0.00 C ATOM 666 OD1 ASP A 43 64.483 -21.991 20.848 1.00 0.00 O ATOM 667 OD2 ASP A 43 65.252 -23.769 21.865 1.00 0.00 O ATOM 0 H ASP A 43 60.667 -24.762 22.102 1.00 0.00 H new ATOM 0 HA ASP A 43 61.916 -22.948 20.120 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.432 -22.541 22.492 1.00 0.00 H new ATOM 0 HB3 ASP A 43 62.928 -24.210 22.693 1.00 0.00 H new ATOM 672 N HIS A 44 62.749 -24.817 18.728 1.00 0.00 N ATOM 673 CA HIS A 44 63.312 -25.834 17.829 1.00 0.00 C ATOM 674 C HIS A 44 63.818 -25.138 16.549 1.00 0.00 C ATOM 675 O HIS A 44 63.174 -24.206 16.065 1.00 0.00 O ATOM 676 CB HIS A 44 62.245 -26.926 17.496 1.00 0.00 C ATOM 677 CG HIS A 44 62.816 -28.235 16.985 1.00 0.00 C ATOM 678 ND1 HIS A 44 63.139 -29.296 17.810 1.00 0.00 N ATOM 679 CD2 HIS A 44 63.129 -28.645 15.732 1.00 0.00 C ATOM 680 CE1 HIS A 44 63.627 -30.286 17.083 1.00 0.00 C ATOM 681 NE2 HIS A 44 63.626 -29.918 15.825 1.00 0.00 N ATOM 0 H HIS A 44 62.528 -23.941 18.255 1.00 0.00 H new ATOM 0 HA HIS A 44 64.147 -26.337 18.317 1.00 0.00 H new ATOM 0 HB2 HIS A 44 61.658 -27.127 18.392 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.559 -26.528 16.748 1.00 0.00 H new ATOM 0 HD2 HIS A 44 63.008 -28.072 14.825 1.00 0.00 H new ATOM 0 HE1 HIS A 44 63.969 -31.238 17.462 1.00 0.00 H new ATOM 0 HE2 HIS A 44 63.944 -30.488 15.041 1.00 0.00 H new ATOM 690 N ASN A 45 64.971 -25.622 16.013 1.00 0.00 N ATOM 691 CA ASN A 45 65.668 -25.073 14.808 1.00 0.00 C ATOM 692 C ASN A 45 66.306 -23.690 15.098 1.00 0.00 C ATOM 693 O ASN A 45 66.739 -22.990 14.173 1.00 0.00 O ATOM 694 CB ASN A 45 64.737 -24.953 13.554 1.00 0.00 C ATOM 695 CG ASN A 45 63.920 -26.203 13.242 1.00 0.00 C ATOM 696 OD1 ASN A 45 64.397 -27.136 12.599 1.00 0.00 O ATOM 697 ND2 ASN A 45 62.666 -26.224 13.684 1.00 0.00 N ATOM 0 H ASN A 45 65.457 -26.424 16.414 1.00 0.00 H new ATOM 0 HA ASN A 45 66.449 -25.797 14.577 1.00 0.00 H new ATOM 0 HB2 ASN A 45 64.053 -24.118 13.705 1.00 0.00 H new ATOM 0 HB3 ASN A 45 65.350 -24.710 12.686 1.00 0.00 H new ATOM 0 HD21 ASN A 45 62.071 -27.030 13.492 1.00 0.00 H new ATOM 0 HD22 ASN A 45 62.299 -25.434 14.215 1.00 0.00 H new ATOM 704 N GLY A 46 66.380 -23.318 16.388 1.00 0.00 N ATOM 705 CA GLY A 46 66.774 -21.962 16.785 1.00 0.00 C ATOM 706 C GLY A 46 65.643 -20.953 16.598 1.00 0.00 C ATOM 707 O GLY A 46 65.874 -19.739 16.615 1.00 0.00 O ATOM 0 H GLY A 46 66.172 -23.939 17.170 1.00 0.00 H new ATOM 0 HA2 GLY A 46 67.084 -21.967 17.830 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.637 -21.650 16.197 1.00 0.00 H new ATOM 711 N GLN A 47 64.415 -21.473 16.396 1.00 0.00 N ATOM 712 CA GLN A 47 63.188 -20.671 16.235 1.00 0.00 C ATOM 713 C GLN A 47 62.296 -20.885 17.465 1.00 0.00 C ATOM 714 O GLN A 47 62.414 -21.906 18.148 1.00 0.00 O ATOM 715 CB GLN A 47 62.422 -21.100 14.944 1.00 0.00 C ATOM 716 CG GLN A 47 63.262 -21.082 13.652 1.00 0.00 C ATOM 717 CD GLN A 47 62.478 -21.459 12.387 1.00 0.00 C ATOM 718 OE1 GLN A 47 61.901 -20.602 11.715 1.00 0.00 O ATOM 719 NE2 GLN A 47 62.413 -22.750 12.089 1.00 0.00 N ATOM 0 H GLN A 47 64.247 -22.477 16.340 1.00 0.00 H new ATOM 0 HA GLN A 47 63.452 -19.617 16.143 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.029 -22.106 15.090 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.565 -20.439 14.812 1.00 0.00 H new ATOM 0 HG2 GLN A 47 63.685 -20.086 13.521 1.00 0.00 H new ATOM 0 HG3 GLN A 47 64.099 -21.771 13.766 1.00 0.00 H new ATOM 0 HE21 GLN A 47 62.903 -23.432 12.667 1.00 0.00 H new ATOM 0 HE22 GLN A 47 61.873 -23.060 11.281 1.00 0.00 H new ATOM 728 N GLU A 48 61.387 -19.938 17.727 1.00 0.00 N ATOM 729 CA GLU A 48 60.469 -20.009 18.877 1.00 0.00 C ATOM 730 C GLU A 48 59.028 -19.644 18.442 1.00 0.00 C ATOM 731 O GLU A 48 58.798 -18.588 17.840 1.00 0.00 O ATOM 732 CB GLU A 48 60.992 -19.117 20.037 1.00 0.00 C ATOM 733 CG GLU A 48 61.304 -17.650 19.668 1.00 0.00 C ATOM 734 CD GLU A 48 61.806 -16.823 20.868 1.00 0.00 C ATOM 735 OE1 GLU A 48 62.961 -17.037 21.307 1.00 0.00 O ATOM 736 OE2 GLU A 48 61.045 -15.974 21.384 1.00 0.00 O ATOM 0 H GLU A 48 61.265 -19.104 17.153 1.00 0.00 H new ATOM 0 HA GLU A 48 60.434 -21.032 19.253 1.00 0.00 H new ATOM 0 HB2 GLU A 48 60.251 -19.121 20.836 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.897 -19.571 20.440 1.00 0.00 H new ATOM 0 HG2 GLU A 48 62.057 -17.631 18.880 1.00 0.00 H new ATOM 0 HG3 GLU A 48 60.406 -17.184 19.262 1.00 0.00 H new ATOM 743 N TYR A 49 58.064 -20.548 18.739 1.00 0.00 N ATOM 744 CA TYR A 49 56.659 -20.437 18.300 1.00 0.00 C ATOM 745 C TYR A 49 55.694 -21.068 19.337 1.00 0.00 C ATOM 746 O TYR A 49 55.830 -22.234 19.686 1.00 0.00 O ATOM 747 CB TYR A 49 56.456 -21.046 16.870 1.00 0.00 C ATOM 748 CG TYR A 49 57.227 -22.346 16.545 1.00 0.00 C ATOM 749 CD1 TYR A 49 58.574 -22.312 16.154 1.00 0.00 C ATOM 750 CD2 TYR A 49 56.596 -23.591 16.582 1.00 0.00 C ATOM 751 CE1 TYR A 49 59.259 -23.473 15.833 1.00 0.00 C ATOM 752 CE2 TYR A 49 57.273 -24.745 16.252 1.00 0.00 C ATOM 753 CZ TYR A 49 58.602 -24.680 15.878 1.00 0.00 C ATOM 754 OH TYR A 49 59.278 -25.838 15.544 1.00 0.00 O ATOM 0 H TYR A 49 58.246 -21.383 19.296 1.00 0.00 H new ATOM 0 HA TYR A 49 56.415 -19.377 18.234 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.392 -21.240 16.732 1.00 0.00 H new ATOM 0 HB3 TYR A 49 56.740 -20.291 16.137 1.00 0.00 H new ATOM 0 HD1 TYR A 49 59.087 -21.363 16.102 1.00 0.00 H new ATOM 0 HD2 TYR A 49 55.558 -23.651 16.875 1.00 0.00 H new ATOM 0 HE1 TYR A 49 60.300 -23.430 15.550 1.00 0.00 H new ATOM 0 HE2 TYR A 49 56.766 -25.698 16.286 1.00 0.00 H new ATOM 0 HH TYR A 49 58.674 -26.605 15.628 1.00 0.00 H new ATOM 764 N LEU A 50 54.687 -20.279 19.764 1.00 0.00 N ATOM 765 CA LEU A 50 53.749 -20.621 20.860 1.00 0.00 C ATOM 766 C LEU A 50 52.715 -21.666 20.388 1.00 0.00 C ATOM 767 O LEU A 50 51.984 -21.418 19.442 1.00 0.00 O ATOM 768 CB LEU A 50 53.063 -19.289 21.343 1.00 0.00 C ATOM 769 CG LEU A 50 52.028 -19.299 22.547 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.641 -19.864 22.184 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.596 -19.982 23.804 1.00 0.00 C ATOM 0 H LEU A 50 54.497 -19.367 19.350 1.00 0.00 H new ATOM 0 HA LEU A 50 54.284 -21.074 21.695 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.861 -18.597 21.612 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.549 -18.863 20.482 1.00 0.00 H new ATOM 0 HG LEU A 50 51.870 -18.246 22.779 1.00 0.00 H new ATOM 0 HD11 LEU A 50 49.995 -19.835 23.062 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.200 -19.263 21.389 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.745 -20.894 21.844 1.00 0.00 H new ATOM 0 HD21 LEU A 50 51.849 -19.962 24.598 1.00 0.00 H new ATOM 0 HD22 LEU A 50 52.852 -21.016 23.572 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.490 -19.452 24.134 1.00 0.00 H new ATOM 783 N LEU A 51 52.642 -22.811 21.075 1.00 0.00 N ATOM 784 CA LEU A 51 51.545 -23.775 20.904 1.00 0.00 C ATOM 785 C LEU A 51 50.718 -23.764 22.183 1.00 0.00 C ATOM 786 O LEU A 51 51.269 -23.905 23.291 1.00 0.00 O ATOM 787 CB LEU A 51 52.065 -25.202 20.597 1.00 0.00 C ATOM 788 CG LEU A 51 50.984 -26.312 20.386 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.036 -25.959 19.227 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.645 -27.693 20.170 1.00 0.00 C ATOM 0 H LEU A 51 53.338 -23.097 21.763 1.00 0.00 H new ATOM 0 HA LEU A 51 50.937 -23.483 20.048 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.683 -25.154 19.700 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.715 -25.511 21.416 1.00 0.00 H new ATOM 0 HG LEU A 51 50.383 -26.367 21.293 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.297 -26.751 19.107 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.529 -25.019 19.445 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.610 -25.856 18.306 1.00 0.00 H new ATOM 0 HD21 LEU A 51 50.872 -28.448 20.026 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.285 -27.656 19.289 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.244 -27.950 21.043 1.00 0.00 H new ATOM 802 N ARG A 52 49.404 -23.565 22.027 1.00 0.00 N ATOM 803 CA ARG A 52 48.476 -23.491 23.153 1.00 0.00 C ATOM 804 C ARG A 52 47.304 -24.445 22.945 1.00 0.00 C ATOM 805 O ARG A 52 46.828 -24.639 21.819 1.00 0.00 O ATOM 806 CB ARG A 52 47.979 -22.040 23.356 1.00 0.00 C ATOM 807 CG ARG A 52 47.190 -21.451 22.172 1.00 0.00 C ATOM 808 CD ARG A 52 46.712 -20.019 22.427 1.00 0.00 C ATOM 809 NE ARG A 52 45.795 -19.930 23.575 1.00 0.00 N ATOM 810 CZ ARG A 52 45.255 -18.795 24.054 1.00 0.00 C ATOM 811 NH1 ARG A 52 45.560 -17.610 23.519 1.00 0.00 N ATOM 812 NH2 ARG A 52 44.415 -18.856 25.074 1.00 0.00 N ATOM 0 H ARG A 52 48.958 -23.451 21.117 1.00 0.00 H new ATOM 0 HA ARG A 52 49.005 -23.796 24.056 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.349 -22.009 24.245 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.840 -21.401 23.553 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.817 -21.466 21.281 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.328 -22.085 21.965 1.00 0.00 H new ATOM 0 HD2 ARG A 52 47.575 -19.377 22.604 1.00 0.00 H new ATOM 0 HD3 ARG A 52 46.211 -19.642 21.535 1.00 0.00 H new ATOM 0 HE ARG A 52 45.549 -20.801 24.046 1.00 0.00 H new ATOM 0 HH11 ARG A 52 46.211 -17.556 22.736 1.00 0.00 H new ATOM 0 HH12 ARG A 52 45.142 -16.758 23.894 1.00 0.00 H new ATOM 0 HH21 ARG A 52 44.182 -19.758 25.490 1.00 0.00 H new ATOM 0 HH22 ARG A 52 44.000 -18.001 25.445 1.00 0.00 H new ATOM 826 N LYS A 53 46.862 -25.049 24.049 1.00 0.00 N ATOM 827 CA LYS A 53 45.643 -25.847 24.101 1.00 0.00 C ATOM 828 C LYS A 53 44.450 -24.909 24.303 1.00 0.00 C ATOM 829 O LYS A 53 44.264 -24.365 25.397 1.00 0.00 O ATOM 830 CB LYS A 53 45.721 -26.893 25.249 1.00 0.00 C ATOM 831 CG LYS A 53 46.742 -28.027 25.005 1.00 0.00 C ATOM 832 CD LYS A 53 46.833 -29.027 26.180 1.00 0.00 C ATOM 833 CE LYS A 53 45.488 -29.691 26.501 1.00 0.00 C ATOM 834 NZ LYS A 53 44.926 -30.443 25.342 1.00 0.00 N ATOM 0 H LYS A 53 47.350 -24.995 24.943 1.00 0.00 H new ATOM 0 HA LYS A 53 45.523 -26.393 23.165 1.00 0.00 H new ATOM 0 HB2 LYS A 53 45.979 -26.380 26.176 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.734 -27.333 25.392 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.467 -28.566 24.098 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.725 -27.591 24.831 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.565 -29.798 25.939 1.00 0.00 H new ATOM 0 HD3 LYS A 53 47.197 -28.507 27.066 1.00 0.00 H new ATOM 0 HE2 LYS A 53 45.615 -30.371 27.343 1.00 0.00 H new ATOM 0 HE3 LYS A 53 44.776 -28.927 26.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 44.044 -30.913 25.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 44.730 -29.783 24.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 45.612 -31.158 25.026 1.00 0.00 H new ATOM 848 N THR A 54 43.685 -24.688 23.232 1.00 0.00 N ATOM 849 CA THR A 54 42.430 -23.939 23.303 1.00 0.00 C ATOM 850 C THR A 54 41.399 -24.814 24.033 1.00 0.00 C ATOM 851 O THR A 54 41.282 -26.011 23.721 1.00 0.00 O ATOM 852 CB THR A 54 41.903 -23.543 21.881 1.00 0.00 C ATOM 853 OG1 THR A 54 41.411 -24.690 21.173 1.00 0.00 O ATOM 854 CG2 THR A 54 43.003 -22.896 21.037 1.00 0.00 C ATOM 0 H THR A 54 43.917 -25.021 22.296 1.00 0.00 H new ATOM 0 HA THR A 54 42.598 -23.007 23.843 1.00 0.00 H new ATOM 0 HB THR A 54 41.094 -22.829 22.037 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.518 -24.497 20.818 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.603 -22.634 20.057 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.362 -21.995 21.535 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.829 -23.597 20.916 1.00 0.00 H new ATOM 862 N GLN A 55 40.662 -24.213 24.990 1.00 0.00 N ATOM 863 CA GLN A 55 39.698 -24.935 25.863 1.00 0.00 C ATOM 864 C GLN A 55 38.419 -25.347 25.096 1.00 0.00 C ATOM 865 O GLN A 55 37.509 -25.959 25.667 1.00 0.00 O ATOM 866 CB GLN A 55 39.363 -24.080 27.117 1.00 0.00 C ATOM 867 CG GLN A 55 40.596 -23.702 27.967 1.00 0.00 C ATOM 868 CD GLN A 55 40.267 -22.896 29.225 1.00 0.00 C ATOM 869 OE1 GLN A 55 39.297 -22.140 29.266 1.00 0.00 O ATOM 870 NE2 GLN A 55 41.095 -23.028 30.254 1.00 0.00 N ATOM 0 H GLN A 55 40.715 -23.213 25.184 1.00 0.00 H new ATOM 0 HA GLN A 55 40.172 -25.859 26.194 1.00 0.00 H new ATOM 0 HB2 GLN A 55 38.861 -23.167 26.798 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.659 -24.630 27.741 1.00 0.00 H new ATOM 0 HG2 GLN A 55 41.115 -24.615 28.259 1.00 0.00 H new ATOM 0 HG3 GLN A 55 41.286 -23.126 27.350 1.00 0.00 H new ATOM 0 HE21 GLN A 55 41.891 -23.663 30.190 1.00 0.00 H new ATOM 0 HE22 GLN A 55 40.935 -22.495 31.109 1.00 0.00 H new ATOM 879 N ALA A 56 38.365 -24.990 23.798 1.00 0.00 N ATOM 880 CA ALA A 56 37.378 -25.520 22.838 1.00 0.00 C ATOM 881 C ALA A 56 37.695 -26.995 22.484 1.00 0.00 C ATOM 882 O ALA A 56 36.861 -27.697 21.898 1.00 0.00 O ATOM 883 CB ALA A 56 37.368 -24.644 21.575 1.00 0.00 C ATOM 0 H ALA A 56 39.012 -24.319 23.383 1.00 0.00 H new ATOM 0 HA ALA A 56 36.388 -25.494 23.294 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.639 -25.036 20.866 1.00 0.00 H new ATOM 0 HB2 ALA A 56 37.100 -23.622 21.843 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.358 -24.652 21.119 1.00 0.00 H new ATOM 889 N GLY A 57 38.918 -27.435 22.840 1.00 0.00 N ATOM 890 CA GLY A 57 39.368 -28.812 22.648 1.00 0.00 C ATOM 891 C GLY A 57 40.280 -28.962 21.447 1.00 0.00 C ATOM 892 O GLY A 57 40.256 -29.995 20.762 1.00 0.00 O ATOM 0 H GLY A 57 39.620 -26.834 23.271 1.00 0.00 H new ATOM 0 HA2 GLY A 57 39.892 -29.148 23.543 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.501 -29.461 22.525 1.00 0.00 H new ATOM 896 N LYS A 58 41.109 -27.931 21.193 1.00 0.00 N ATOM 897 CA LYS A 58 41.974 -27.868 19.992 1.00 0.00 C ATOM 898 C LYS A 58 43.365 -27.314 20.335 1.00 0.00 C ATOM 899 O LYS A 58 43.621 -26.894 21.463 1.00 0.00 O ATOM 900 CB LYS A 58 41.298 -26.992 18.887 1.00 0.00 C ATOM 901 CG LYS A 58 40.002 -27.594 18.282 1.00 0.00 C ATOM 902 CD LYS A 58 39.261 -26.621 17.336 1.00 0.00 C ATOM 903 CE LYS A 58 38.714 -25.378 18.063 1.00 0.00 C ATOM 904 NZ LYS A 58 38.069 -24.411 17.131 1.00 0.00 N ATOM 0 H LYS A 58 41.200 -27.122 21.808 1.00 0.00 H new ATOM 0 HA LYS A 58 42.102 -28.882 19.614 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.065 -26.015 19.310 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.016 -26.829 18.083 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.253 -28.502 17.734 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.332 -27.884 19.091 1.00 0.00 H new ATOM 0 HD2 LYS A 58 39.940 -26.303 16.545 1.00 0.00 H new ATOM 0 HD3 LYS A 58 38.436 -27.147 16.856 1.00 0.00 H new ATOM 0 HE2 LYS A 58 37.990 -25.690 18.816 1.00 0.00 H new ATOM 0 HE3 LYS A 58 39.528 -24.882 18.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 37.718 -23.593 17.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 38.765 -24.090 16.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 37.274 -24.874 16.646 1.00 0.00 H new ATOM 918 N LEU A 59 44.253 -27.350 19.336 1.00 0.00 N ATOM 919 CA LEU A 59 45.607 -26.772 19.407 1.00 0.00 C ATOM 920 C LEU A 59 45.688 -25.556 18.472 1.00 0.00 C ATOM 921 O LEU A 59 45.069 -25.548 17.400 1.00 0.00 O ATOM 922 CB LEU A 59 46.674 -27.848 19.038 1.00 0.00 C ATOM 923 CG LEU A 59 46.956 -28.922 20.143 1.00 0.00 C ATOM 924 CD1 LEU A 59 47.868 -30.055 19.618 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.563 -28.267 21.403 1.00 0.00 C ATOM 0 H LEU A 59 44.051 -27.789 18.438 1.00 0.00 H new ATOM 0 HA LEU A 59 45.814 -26.441 20.425 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.350 -28.360 18.132 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.609 -27.341 18.801 1.00 0.00 H new ATOM 0 HG LEU A 59 46.001 -29.371 20.416 1.00 0.00 H new ATOM 0 HD11 LEU A 59 48.041 -30.781 20.413 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.386 -30.549 18.774 1.00 0.00 H new ATOM 0 HD13 LEU A 59 48.821 -29.635 19.296 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.750 -29.032 22.156 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.501 -27.777 21.142 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.867 -27.529 21.801 1.00 0.00 H new ATOM 937 N LEU A 60 46.445 -24.535 18.888 1.00 0.00 N ATOM 938 CA LEU A 60 46.587 -23.269 18.144 1.00 0.00 C ATOM 939 C LEU A 60 48.078 -22.920 18.065 1.00 0.00 C ATOM 940 O LEU A 60 48.713 -22.676 19.107 1.00 0.00 O ATOM 941 CB LEU A 60 45.804 -22.137 18.869 1.00 0.00 C ATOM 942 CG LEU A 60 45.510 -20.843 18.046 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.493 -21.121 16.923 1.00 0.00 C ATOM 944 CD2 LEU A 60 45.020 -19.700 18.960 1.00 0.00 C ATOM 0 H LEU A 60 46.982 -24.559 19.755 1.00 0.00 H new ATOM 0 HA LEU A 60 46.179 -23.375 17.139 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.853 -22.546 19.209 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.365 -21.853 19.759 1.00 0.00 H new ATOM 0 HG LEU A 60 46.445 -20.525 17.584 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.306 -20.203 16.366 1.00 0.00 H new ATOM 0 HD12 LEU A 60 44.893 -21.879 16.250 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.559 -21.478 17.358 1.00 0.00 H new ATOM 0 HD21 LEU A 60 44.823 -18.812 18.359 1.00 0.00 H new ATOM 0 HD22 LEU A 60 44.104 -20.006 19.466 1.00 0.00 H new ATOM 0 HD23 LEU A 60 45.786 -19.474 19.702 1.00 0.00 H new ATOM 956 N LEU A 61 48.645 -22.941 16.844 1.00 0.00 N ATOM 957 CA LEU A 61 50.050 -22.577 16.607 1.00 0.00 C ATOM 958 C LEU A 61 50.112 -21.071 16.277 1.00 0.00 C ATOM 959 O LEU A 61 49.432 -20.583 15.377 1.00 0.00 O ATOM 960 CB LEU A 61 50.671 -23.457 15.467 1.00 0.00 C ATOM 961 CG LEU A 61 52.240 -23.664 15.481 1.00 0.00 C ATOM 962 CD1 LEU A 61 53.028 -22.367 15.179 1.00 0.00 C ATOM 963 CD2 LEU A 61 52.709 -24.284 16.823 1.00 0.00 C ATOM 0 H LEU A 61 48.142 -23.210 15.998 1.00 0.00 H new ATOM 0 HA LEU A 61 50.645 -22.769 17.500 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.201 -24.440 15.506 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.398 -23.011 14.511 1.00 0.00 H new ATOM 0 HG LEU A 61 52.460 -24.360 14.672 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.097 -22.577 15.204 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.754 -21.996 14.191 1.00 0.00 H new ATOM 0 HD13 LEU A 61 52.789 -21.613 15.929 1.00 0.00 H new ATOM 0 HD21 LEU A 61 53.791 -24.415 16.805 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.438 -23.621 17.645 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.229 -25.252 16.964 1.00 0.00 H new ATOM 975 N THR A 62 50.919 -20.367 17.053 1.00 0.00 N ATOM 976 CA THR A 62 51.179 -18.928 16.951 1.00 0.00 C ATOM 977 C THR A 62 52.674 -18.729 17.267 1.00 0.00 C ATOM 978 O THR A 62 53.418 -19.710 17.346 1.00 0.00 O ATOM 979 CB THR A 62 50.295 -18.104 17.958 1.00 0.00 C ATOM 980 OG1 THR A 62 50.596 -18.491 19.300 1.00 0.00 O ATOM 981 CG2 THR A 62 48.781 -18.280 17.724 1.00 0.00 C ATOM 0 H THR A 62 51.442 -20.801 17.814 1.00 0.00 H new ATOM 0 HA THR A 62 50.927 -18.569 15.953 1.00 0.00 H new ATOM 0 HB THR A 62 50.536 -17.055 17.788 1.00 0.00 H new ATOM 0 HG1 THR A 62 50.454 -17.729 19.900 1.00 0.00 H new ATOM 0 HG21 THR A 62 48.229 -17.685 18.452 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.527 -17.948 16.717 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.515 -19.331 17.838 1.00 0.00 H new ATOM 989 N LYS A 63 53.134 -17.483 17.451 1.00 0.00 N ATOM 990 CA LYS A 63 54.539 -17.217 17.853 1.00 0.00 C ATOM 991 C LYS A 63 54.597 -16.095 18.921 1.00 0.00 C ATOM 992 O LYS A 63 53.733 -15.180 18.886 1.00 0.00 O ATOM 993 CB LYS A 63 55.438 -16.940 16.598 1.00 0.00 C ATOM 994 CG LYS A 63 55.139 -15.650 15.783 1.00 0.00 C ATOM 995 CD LYS A 63 55.918 -14.419 16.307 1.00 0.00 C ATOM 996 CE LYS A 63 55.631 -13.143 15.510 1.00 0.00 C ATOM 997 NZ LYS A 63 56.407 -11.981 16.031 1.00 0.00 N ATOM 998 OXT LYS A 63 55.500 -16.126 19.789 1.00 0.00 O ATOM 0 H LYS A 63 52.566 -16.644 17.331 1.00 0.00 H new ATOM 0 HA LYS A 63 54.953 -18.108 18.325 1.00 0.00 H new ATOM 0 HB2 LYS A 63 56.476 -16.899 16.928 1.00 0.00 H new ATOM 0 HB3 LYS A 63 55.351 -17.793 15.925 1.00 0.00 H new ATOM 0 HG2 LYS A 63 55.395 -15.818 14.737 1.00 0.00 H new ATOM 0 HG3 LYS A 63 54.070 -15.441 15.820 1.00 0.00 H new ATOM 0 HD2 LYS A 63 55.661 -14.252 17.353 1.00 0.00 H new ATOM 0 HD3 LYS A 63 56.987 -14.630 16.271 1.00 0.00 H new ATOM 0 HE2 LYS A 63 55.879 -13.306 14.461 1.00 0.00 H new ATOM 0 HE3 LYS A 63 54.565 -12.918 15.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 56.187 -11.136 15.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 56.152 -11.810 17.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 57.425 -12.186 15.965 1.00 0.00 H new