USER MOD reduce.3.24.130724 H: found=0, std=0, add=338, rem=0, adj=6 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 44 HIS : no HD1:sc= 0.0151 X(o=-0.18,f=-0.21) USER MOD Set 1.2: A 49 TYR OH : rot 35:sc= -0.195 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0.137 (180deg=0.0469) USER MOD Single : A 45 ASN : amide:sc= -0.4 X(o=-0.4,f=0) USER MOD Single : A 47 GLN : amide:sc=-0.00357 K(o=-0.0036,f=-2.6!) USER MOD Single : A 53 LYS NZ :NH3+ -138:sc= -0.587 (180deg=-2.56!) USER MOD Single : A 54 THR OG1 : rot 137:sc= -1.61! USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.652 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 355 N ALA A 23 50.075 -16.889 25.029 1.00 0.00 N ATOM 356 CA ALA A 23 49.454 -17.762 26.051 1.00 0.00 C ATOM 357 C ALA A 23 50.424 -18.056 27.210 1.00 0.00 C ATOM 358 O ALA A 23 50.019 -18.131 28.378 1.00 0.00 O ATOM 359 CB ALA A 23 48.969 -19.060 25.391 1.00 0.00 C ATOM 0 HA ALA A 23 48.598 -17.240 26.480 1.00 0.00 H new ATOM 0 HB1 ALA A 23 48.512 -19.702 26.144 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.235 -18.824 24.621 1.00 0.00 H new ATOM 0 HB3 ALA A 23 49.816 -19.577 24.939 1.00 0.00 H new ATOM 365 N ALA A 24 51.704 -18.214 26.852 1.00 0.00 N ATOM 366 CA ALA A 24 52.820 -18.303 27.802 1.00 0.00 C ATOM 367 C ALA A 24 54.095 -17.777 27.139 1.00 0.00 C ATOM 368 O ALA A 24 54.173 -17.683 25.909 1.00 0.00 O ATOM 369 CB ALA A 24 53.032 -19.748 28.277 1.00 0.00 C ATOM 0 H ALA A 24 51.998 -18.285 25.878 1.00 0.00 H new ATOM 0 HA ALA A 24 52.581 -17.696 28.675 1.00 0.00 H new ATOM 0 HB1 ALA A 24 53.865 -19.782 28.979 1.00 0.00 H new ATOM 0 HB2 ALA A 24 52.128 -20.106 28.769 1.00 0.00 H new ATOM 0 HB3 ALA A 24 53.254 -20.384 27.420 1.00 0.00 H new ATOM 375 N GLU A 25 55.093 -17.437 27.966 1.00 0.00 N ATOM 376 CA GLU A 25 56.450 -17.094 27.491 1.00 0.00 C ATOM 377 C GLU A 25 57.459 -18.145 27.980 1.00 0.00 C ATOM 378 O GLU A 25 58.671 -17.898 28.010 1.00 0.00 O ATOM 379 CB GLU A 25 56.841 -15.670 27.957 1.00 0.00 C ATOM 380 CG GLU A 25 56.844 -15.467 29.483 1.00 0.00 C ATOM 381 CD GLU A 25 57.240 -14.039 29.891 1.00 0.00 C ATOM 382 OE1 GLU A 25 58.452 -13.771 30.049 1.00 0.00 O ATOM 383 OE2 GLU A 25 56.345 -13.173 30.030 1.00 0.00 O ATOM 0 H GLU A 25 54.988 -17.391 28.980 1.00 0.00 H new ATOM 0 HA GLU A 25 56.460 -17.098 26.401 1.00 0.00 H new ATOM 0 HB2 GLU A 25 57.834 -15.437 27.572 1.00 0.00 H new ATOM 0 HB3 GLU A 25 56.150 -14.955 27.511 1.00 0.00 H new ATOM 0 HG2 GLU A 25 55.853 -15.691 29.877 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.536 -16.176 29.938 1.00 0.00 H new ATOM 390 N ARG A 26 56.943 -19.350 28.286 1.00 0.00 N ATOM 391 CA ARG A 26 57.745 -20.468 28.792 1.00 0.00 C ATOM 392 C ARG A 26 58.516 -21.104 27.620 1.00 0.00 C ATOM 393 O ARG A 26 58.002 -21.988 26.928 1.00 0.00 O ATOM 394 CB ARG A 26 56.825 -21.489 29.526 1.00 0.00 C ATOM 395 CG ARG A 26 57.542 -22.718 30.139 1.00 0.00 C ATOM 396 CD ARG A 26 58.674 -22.346 31.116 1.00 0.00 C ATOM 397 NE ARG A 26 58.214 -21.485 32.220 1.00 0.00 N ATOM 398 CZ ARG A 26 58.959 -21.122 33.282 1.00 0.00 C ATOM 399 NH1 ARG A 26 60.204 -21.569 33.436 1.00 0.00 N ATOM 400 NH2 ARG A 26 58.432 -20.338 34.213 1.00 0.00 N ATOM 0 H ARG A 26 55.952 -19.571 28.187 1.00 0.00 H new ATOM 0 HA ARG A 26 58.476 -20.117 29.521 1.00 0.00 H new ATOM 0 HB2 ARG A 26 56.295 -20.966 30.322 1.00 0.00 H new ATOM 0 HB3 ARG A 26 56.073 -21.844 28.822 1.00 0.00 H new ATOM 0 HG2 ARG A 26 56.809 -23.333 30.662 1.00 0.00 H new ATOM 0 HG3 ARG A 26 57.953 -23.327 29.334 1.00 0.00 H new ATOM 0 HD2 ARG A 26 59.107 -23.258 31.528 1.00 0.00 H new ATOM 0 HD3 ARG A 26 59.467 -21.836 30.569 1.00 0.00 H new ATOM 0 HE ARG A 26 57.256 -21.137 32.177 1.00 0.00 H new ATOM 0 HH11 ARG A 26 60.610 -22.198 32.743 1.00 0.00 H new ATOM 0 HH12 ARG A 26 60.752 -21.283 34.247 1.00 0.00 H new ATOM 0 HH21 ARG A 26 57.469 -20.014 34.122 1.00 0.00 H new ATOM 0 HH22 ARG A 26 58.990 -20.059 35.020 1.00 0.00 H new ATOM 414 N ARG A 27 59.722 -20.569 27.359 1.00 0.00 N ATOM 415 CA ARG A 27 60.574 -20.999 26.245 1.00 0.00 C ATOM 416 C ARG A 27 61.264 -22.327 26.590 1.00 0.00 C ATOM 417 O ARG A 27 62.361 -22.363 27.172 1.00 0.00 O ATOM 418 CB ARG A 27 61.600 -19.896 25.887 1.00 0.00 C ATOM 419 CG ARG A 27 60.965 -18.571 25.408 1.00 0.00 C ATOM 420 CD ARG A 27 62.016 -17.548 24.949 1.00 0.00 C ATOM 421 NE ARG A 27 62.882 -18.088 23.880 1.00 0.00 N ATOM 422 CZ ARG A 27 64.156 -17.727 23.652 1.00 0.00 C ATOM 423 NH1 ARG A 27 64.737 -16.767 24.374 1.00 0.00 N ATOM 424 NH2 ARG A 27 64.839 -18.311 22.686 1.00 0.00 N ATOM 0 H ARG A 27 60.132 -19.822 27.920 1.00 0.00 H new ATOM 0 HA ARG A 27 59.953 -21.164 25.365 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.219 -19.694 26.761 1.00 0.00 H new ATOM 0 HB3 ARG A 27 62.262 -20.271 25.107 1.00 0.00 H new ATOM 0 HG2 ARG A 27 60.279 -18.777 24.586 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.374 -18.142 26.217 1.00 0.00 H new ATOM 0 HD2 ARG A 27 61.515 -16.649 24.590 1.00 0.00 H new ATOM 0 HD3 ARG A 27 62.631 -17.253 25.799 1.00 0.00 H new ATOM 0 HE ARG A 27 62.479 -18.794 23.264 1.00 0.00 H new ATOM 0 HH11 ARG A 27 64.213 -16.296 25.111 1.00 0.00 H new ATOM 0 HH12 ARG A 27 65.705 -16.505 24.189 1.00 0.00 H new ATOM 0 HH21 ARG A 27 64.400 -19.034 22.116 1.00 0.00 H new ATOM 0 HH22 ARG A 27 65.806 -18.040 22.510 1.00 0.00 H new ATOM 438 N VAL A 28 60.558 -23.414 26.276 1.00 0.00 N ATOM 439 CA VAL A 28 61.018 -24.799 26.475 1.00 0.00 C ATOM 440 C VAL A 28 61.136 -25.494 25.117 1.00 0.00 C ATOM 441 O VAL A 28 60.514 -25.060 24.147 1.00 0.00 O ATOM 442 CB VAL A 28 60.046 -25.616 27.416 1.00 0.00 C ATOM 443 CG1 VAL A 28 60.132 -25.124 28.879 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.597 -25.550 26.904 1.00 0.00 C ATOM 0 H VAL A 28 59.626 -23.360 25.865 1.00 0.00 H new ATOM 0 HA VAL A 28 61.991 -24.764 26.964 1.00 0.00 H new ATOM 0 HB VAL A 28 60.368 -26.657 27.395 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.451 -25.707 29.499 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.151 -25.247 29.245 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.854 -24.071 28.926 1.00 0.00 H new ATOM 0 HG21 VAL A 28 57.949 -26.120 27.570 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.267 -24.511 26.879 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.546 -25.971 25.900 1.00 0.00 H new ATOM 454 N ASN A 29 61.929 -26.577 25.075 1.00 0.00 N ATOM 455 CA ASN A 29 62.178 -27.373 23.849 1.00 0.00 C ATOM 456 C ASN A 29 60.872 -27.960 23.255 1.00 0.00 C ATOM 457 O ASN A 29 59.858 -28.054 23.949 1.00 0.00 O ATOM 458 CB ASN A 29 63.176 -28.521 24.148 1.00 0.00 C ATOM 459 CG ASN A 29 64.561 -28.032 24.573 1.00 0.00 C ATOM 460 OD1 ASN A 29 65.430 -27.803 23.730 1.00 0.00 O ATOM 461 ND2 ASN A 29 64.776 -27.886 25.870 1.00 0.00 N ATOM 0 H ASN A 29 62.422 -26.932 25.894 1.00 0.00 H new ATOM 0 HA ASN A 29 62.604 -26.696 23.109 1.00 0.00 H new ATOM 0 HB2 ASN A 29 62.765 -29.153 24.936 1.00 0.00 H new ATOM 0 HB3 ASN A 29 63.277 -29.144 23.260 1.00 0.00 H new ATOM 0 HD21 ASN A 29 65.688 -27.573 26.204 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.030 -28.086 26.536 1.00 0.00 H new ATOM 468 N SER A 30 60.937 -28.355 21.964 1.00 0.00 N ATOM 469 CA SER A 30 59.808 -28.983 21.227 1.00 0.00 C ATOM 470 C SER A 30 59.228 -30.235 21.939 1.00 0.00 C ATOM 471 O SER A 30 58.034 -30.515 21.822 1.00 0.00 O ATOM 472 CB SER A 30 60.258 -29.323 19.783 1.00 0.00 C ATOM 473 OG SER A 30 61.422 -30.137 19.778 1.00 0.00 O ATOM 0 H SER A 30 61.778 -28.248 21.397 1.00 0.00 H new ATOM 0 HA SER A 30 58.995 -28.257 21.200 1.00 0.00 H new ATOM 0 HB2 SER A 30 59.451 -29.837 19.261 1.00 0.00 H new ATOM 0 HB3 SER A 30 60.455 -28.401 19.236 1.00 0.00 H new ATOM 0 HG SER A 30 61.679 -30.335 18.853 1.00 0.00 H new ATOM 479 N GLN A 31 60.075 -30.970 22.686 1.00 0.00 N ATOM 480 CA GLN A 31 59.631 -32.157 23.473 1.00 0.00 C ATOM 481 C GLN A 31 58.610 -31.769 24.567 1.00 0.00 C ATOM 482 O GLN A 31 57.720 -32.555 24.912 1.00 0.00 O ATOM 483 CB GLN A 31 60.861 -32.885 24.082 1.00 0.00 C ATOM 484 CG GLN A 31 61.761 -32.020 24.991 1.00 0.00 C ATOM 485 CD GLN A 31 63.025 -32.745 25.477 1.00 0.00 C ATOM 486 OE1 GLN A 31 63.032 -33.962 25.654 1.00 0.00 O ATOM 487 NE2 GLN A 31 64.105 -32.003 25.679 1.00 0.00 N ATOM 0 H GLN A 31 61.072 -30.770 22.766 1.00 0.00 H new ATOM 0 HA GLN A 31 59.123 -32.842 22.795 1.00 0.00 H new ATOM 0 HB2 GLN A 31 60.507 -33.740 24.658 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.469 -33.279 23.267 1.00 0.00 H new ATOM 0 HG2 GLN A 31 62.054 -31.121 24.448 1.00 0.00 H new ATOM 0 HG3 GLN A 31 61.183 -31.695 25.856 1.00 0.00 H new ATOM 0 HE21 GLN A 31 64.068 -30.996 25.524 1.00 0.00 H new ATOM 0 HE22 GLN A 31 64.973 -32.440 25.990 1.00 0.00 H new ATOM 496 N ALA A 32 58.746 -30.543 25.081 1.00 0.00 N ATOM 497 CA ALA A 32 57.833 -29.961 26.077 1.00 0.00 C ATOM 498 C ALA A 32 56.888 -28.926 25.414 1.00 0.00 C ATOM 499 O ALA A 32 56.488 -27.952 26.056 1.00 0.00 O ATOM 500 CB ALA A 32 58.673 -29.343 27.212 1.00 0.00 C ATOM 0 H ALA A 32 59.504 -29.915 24.815 1.00 0.00 H new ATOM 0 HA ALA A 32 57.193 -30.735 26.501 1.00 0.00 H new ATOM 0 HB1 ALA A 32 58.010 -28.907 27.959 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.283 -30.118 27.676 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.321 -28.567 26.804 1.00 0.00 H new ATOM 506 N LEU A 33 56.496 -29.201 24.142 1.00 0.00 N ATOM 507 CA LEU A 33 55.604 -28.334 23.304 1.00 0.00 C ATOM 508 C LEU A 33 54.293 -27.867 23.990 1.00 0.00 C ATOM 509 O LEU A 33 53.645 -26.925 23.509 1.00 0.00 O ATOM 510 CB LEU A 33 55.238 -29.037 21.960 1.00 0.00 C ATOM 511 CG LEU A 33 54.203 -30.218 22.017 1.00 0.00 C ATOM 512 CD1 LEU A 33 53.731 -30.634 20.604 1.00 0.00 C ATOM 513 CD2 LEU A 33 54.752 -31.435 22.788 1.00 0.00 C ATOM 0 H LEU A 33 56.793 -30.046 23.655 1.00 0.00 H new ATOM 0 HA LEU A 33 56.201 -27.438 23.132 1.00 0.00 H new ATOM 0 HB2 LEU A 33 54.847 -28.280 21.280 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.159 -29.418 21.518 1.00 0.00 H new ATOM 0 HG LEU A 33 53.338 -29.844 22.565 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.016 -31.453 20.686 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.255 -29.784 20.115 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.589 -30.958 20.015 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.002 -32.226 22.801 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.655 -31.799 22.298 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.988 -31.142 23.811 1.00 0.00 H new ATOM 525 N LEU A 34 53.885 -28.536 25.075 1.00 0.00 N ATOM 526 CA LEU A 34 52.726 -28.118 25.894 1.00 0.00 C ATOM 527 C LEU A 34 53.143 -27.972 27.359 1.00 0.00 C ATOM 528 O LEU A 34 52.735 -27.018 28.039 1.00 0.00 O ATOM 529 CB LEU A 34 51.571 -29.145 25.738 1.00 0.00 C ATOM 530 CG LEU A 34 50.973 -29.276 24.300 1.00 0.00 C ATOM 531 CD1 LEU A 34 49.904 -30.386 24.213 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.412 -27.922 23.815 1.00 0.00 C ATOM 0 H LEU A 34 54.344 -29.381 25.415 1.00 0.00 H new ATOM 0 HA LEU A 34 52.369 -27.148 25.547 1.00 0.00 H new ATOM 0 HB2 LEU A 34 51.934 -30.124 26.051 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.769 -28.869 26.422 1.00 0.00 H new ATOM 0 HG LEU A 34 51.787 -29.568 23.636 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.517 -30.440 23.195 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.351 -31.343 24.483 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.088 -30.160 24.900 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.001 -28.037 22.812 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.626 -27.590 24.493 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.212 -27.182 23.797 1.00 0.00 H new ATOM 544 N GLY A 35 53.954 -28.935 27.822 1.00 0.00 N ATOM 545 CA GLY A 35 54.403 -28.992 29.208 1.00 0.00 C ATOM 546 C GLY A 35 53.262 -29.274 30.187 1.00 0.00 C ATOM 547 O GLY A 35 52.191 -29.737 29.769 1.00 0.00 O ATOM 0 H GLY A 35 54.313 -29.693 27.241 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.162 -29.768 29.308 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.877 -28.046 29.471 1.00 0.00 H new ATOM 551 N PRO A 36 53.453 -29.009 31.517 1.00 0.00 N ATOM 552 CA PRO A 36 52.352 -29.095 32.518 1.00 0.00 C ATOM 553 C PRO A 36 51.316 -27.957 32.350 1.00 0.00 C ATOM 554 O PRO A 36 50.208 -28.034 32.884 1.00 0.00 O ATOM 555 CB PRO A 36 53.102 -28.986 33.874 1.00 0.00 C ATOM 556 CG PRO A 36 54.340 -28.203 33.549 1.00 0.00 C ATOM 557 CD PRO A 36 54.751 -28.649 32.161 1.00 0.00 C ATOM 0 HA PRO A 36 51.767 -30.009 32.420 1.00 0.00 H new ATOM 0 HB2 PRO A 36 52.496 -28.479 34.625 1.00 0.00 H new ATOM 0 HB3 PRO A 36 53.347 -29.970 34.274 1.00 0.00 H new ATOM 0 HG2 PRO A 36 54.144 -27.131 33.574 1.00 0.00 H new ATOM 0 HG3 PRO A 36 55.130 -28.400 34.274 1.00 0.00 H new ATOM 0 HD2 PRO A 36 55.262 -27.854 31.618 1.00 0.00 H new ATOM 0 HD3 PRO A 36 55.432 -29.500 32.197 1.00 0.00 H new ATOM 565 N ASP A 37 51.706 -26.917 31.587 1.00 0.00 N ATOM 566 CA ASP A 37 50.890 -25.713 31.354 1.00 0.00 C ATOM 567 C ASP A 37 49.778 -25.987 30.338 1.00 0.00 C ATOM 568 O ASP A 37 48.646 -25.523 30.502 1.00 0.00 O ATOM 569 CB ASP A 37 51.787 -24.561 30.818 1.00 0.00 C ATOM 570 CG ASP A 37 52.935 -24.198 31.768 1.00 0.00 C ATOM 571 OD1 ASP A 37 54.025 -24.808 31.666 1.00 0.00 O ATOM 572 OD2 ASP A 37 52.748 -23.321 32.638 1.00 0.00 O ATOM 0 H ASP A 37 52.607 -26.891 31.110 1.00 0.00 H new ATOM 0 HA ASP A 37 50.438 -25.427 32.304 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.201 -24.851 29.852 1.00 0.00 H new ATOM 0 HB3 ASP A 37 51.171 -23.678 30.649 1.00 0.00 H new ATOM 577 N GLY A 38 50.118 -26.747 29.280 1.00 0.00 N ATOM 578 CA GLY A 38 49.241 -26.915 28.115 1.00 0.00 C ATOM 579 C GLY A 38 49.452 -25.821 27.065 1.00 0.00 C ATOM 580 O GLY A 38 48.884 -25.878 25.980 1.00 0.00 O ATOM 0 H GLY A 38 51.000 -27.255 29.212 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.425 -27.890 27.663 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.201 -26.906 28.442 1.00 0.00 H new ATOM 584 N LYS A 39 50.277 -24.822 27.412 1.00 0.00 N ATOM 585 CA LYS A 39 50.594 -23.669 26.557 1.00 0.00 C ATOM 586 C LYS A 39 52.008 -23.155 26.890 1.00 0.00 C ATOM 587 O LYS A 39 52.304 -22.846 28.043 1.00 0.00 O ATOM 588 CB LYS A 39 49.482 -22.555 26.671 1.00 0.00 C ATOM 589 CG LYS A 39 48.899 -22.239 28.085 1.00 0.00 C ATOM 590 CD LYS A 39 49.836 -21.407 28.988 1.00 0.00 C ATOM 591 CE LYS A 39 49.178 -20.922 30.290 1.00 0.00 C ATOM 592 NZ LYS A 39 48.075 -19.962 30.034 1.00 0.00 N ATOM 0 H LYS A 39 50.752 -24.793 28.314 1.00 0.00 H new ATOM 0 HA LYS A 39 50.597 -23.976 25.511 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.894 -21.631 26.266 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.653 -22.844 26.026 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.958 -21.702 27.965 1.00 0.00 H new ATOM 0 HG3 LYS A 39 48.668 -23.178 28.588 1.00 0.00 H new ATOM 0 HD2 LYS A 39 50.712 -22.007 29.237 1.00 0.00 H new ATOM 0 HD3 LYS A 39 50.191 -20.542 28.428 1.00 0.00 H new ATOM 0 HE2 LYS A 39 48.791 -21.779 30.841 1.00 0.00 H new ATOM 0 HE3 LYS A 39 49.930 -20.449 30.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 47.773 -19.533 30.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 48.406 -19.217 29.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 47.272 -20.463 29.602 1.00 0.00 H new ATOM 606 N VAL A 40 52.902 -23.122 25.881 1.00 0.00 N ATOM 607 CA VAL A 40 54.311 -22.678 26.039 1.00 0.00 C ATOM 608 C VAL A 40 54.844 -22.105 24.706 1.00 0.00 C ATOM 609 O VAL A 40 54.181 -22.198 23.663 1.00 0.00 O ATOM 610 CB VAL A 40 55.285 -23.852 26.491 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.950 -24.453 27.877 1.00 0.00 C ATOM 612 CG2 VAL A 40 55.348 -24.952 25.416 1.00 0.00 C ATOM 0 H VAL A 40 52.671 -23.403 24.928 1.00 0.00 H new ATOM 0 HA VAL A 40 54.301 -21.918 26.820 1.00 0.00 H new ATOM 0 HB VAL A 40 56.269 -23.396 26.599 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.660 -25.246 28.111 1.00 0.00 H new ATOM 0 HG12 VAL A 40 55.014 -23.674 28.636 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.940 -24.863 27.861 1.00 0.00 H new ATOM 0 HG21 VAL A 40 56.020 -25.745 25.746 1.00 0.00 H new ATOM 0 HG22 VAL A 40 54.351 -25.363 25.258 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.718 -24.528 24.483 1.00 0.00 H new ATOM 622 N ILE A 41 56.059 -21.522 24.755 1.00 0.00 N ATOM 623 CA ILE A 41 56.832 -21.174 23.555 1.00 0.00 C ATOM 624 C ILE A 41 57.784 -22.343 23.229 1.00 0.00 C ATOM 625 O ILE A 41 58.661 -22.687 24.031 1.00 0.00 O ATOM 626 CB ILE A 41 57.653 -19.839 23.715 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.693 -18.623 23.941 1.00 0.00 C ATOM 628 CG2 ILE A 41 58.585 -19.605 22.493 1.00 0.00 C ATOM 629 CD1 ILE A 41 57.371 -17.257 23.979 1.00 0.00 C ATOM 0 H ILE A 41 56.528 -21.281 25.628 1.00 0.00 H new ATOM 0 HA ILE A 41 56.127 -21.004 22.741 1.00 0.00 H new ATOM 0 HB ILE A 41 58.287 -19.934 24.596 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.946 -18.618 23.147 1.00 0.00 H new ATOM 0 HG13 ILE A 41 56.159 -18.772 24.880 1.00 0.00 H new ATOM 0 HG21 ILE A 41 59.139 -18.677 22.631 1.00 0.00 H new ATOM 0 HG22 ILE A 41 59.285 -20.436 22.405 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.985 -19.538 21.585 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.621 -16.483 24.140 1.00 0.00 H new ATOM 0 HD12 ILE A 41 58.097 -17.234 24.792 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.881 -17.077 23.032 1.00 0.00 H new ATOM 641 N ILE A 42 57.561 -22.945 22.059 1.00 0.00 N ATOM 642 CA ILE A 42 58.367 -24.039 21.522 1.00 0.00 C ATOM 643 C ILE A 42 59.686 -23.476 20.974 1.00 0.00 C ATOM 644 O ILE A 42 59.696 -22.588 20.109 1.00 0.00 O ATOM 645 CB ILE A 42 57.610 -24.837 20.374 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.372 -25.623 20.916 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.556 -25.815 19.626 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.293 -24.794 21.578 1.00 0.00 C ATOM 0 H ILE A 42 56.793 -22.676 21.443 1.00 0.00 H new ATOM 0 HA ILE A 42 58.560 -24.740 22.334 1.00 0.00 H new ATOM 0 HB ILE A 42 57.259 -24.082 19.671 1.00 0.00 H new ATOM 0 HG12 ILE A 42 55.924 -26.170 20.087 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.724 -26.364 21.634 1.00 0.00 H new ATOM 0 HG21 ILE A 42 57.998 -26.339 18.850 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.372 -25.254 19.170 1.00 0.00 H new ATOM 0 HG23 ILE A 42 58.963 -26.539 20.332 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.487 -25.447 21.913 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.713 -24.267 22.435 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.901 -24.070 20.864 1.00 0.00 H new ATOM 660 N ASP A 43 60.779 -24.013 21.516 1.00 0.00 N ATOM 661 CA ASP A 43 62.138 -23.797 21.029 1.00 0.00 C ATOM 662 C ASP A 43 62.499 -24.999 20.144 1.00 0.00 C ATOM 663 O ASP A 43 62.428 -26.157 20.598 1.00 0.00 O ATOM 664 CB ASP A 43 63.120 -23.669 22.221 1.00 0.00 C ATOM 665 CG ASP A 43 64.593 -23.490 21.785 1.00 0.00 C ATOM 666 OD1 ASP A 43 65.034 -22.343 21.597 1.00 0.00 O ATOM 667 OD2 ASP A 43 65.317 -24.499 21.641 1.00 0.00 O ATOM 0 H ASP A 43 60.740 -24.628 22.329 1.00 0.00 H new ATOM 0 HA ASP A 43 62.206 -22.873 20.455 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.825 -22.819 22.836 1.00 0.00 H new ATOM 0 HB3 ASP A 43 63.039 -24.558 22.846 1.00 0.00 H new ATOM 672 N HIS A 44 62.843 -24.721 18.880 1.00 0.00 N ATOM 673 CA HIS A 44 63.199 -25.750 17.897 1.00 0.00 C ATOM 674 C HIS A 44 64.042 -25.125 16.779 1.00 0.00 C ATOM 675 O HIS A 44 63.572 -24.214 16.083 1.00 0.00 O ATOM 676 CB HIS A 44 61.915 -26.411 17.332 1.00 0.00 C ATOM 677 CG HIS A 44 62.156 -27.499 16.320 1.00 0.00 C ATOM 678 ND1 HIS A 44 61.576 -27.512 15.072 1.00 0.00 N ATOM 679 CD2 HIS A 44 62.911 -28.627 16.387 1.00 0.00 C ATOM 680 CE1 HIS A 44 61.952 -28.594 14.426 1.00 0.00 C ATOM 681 NE2 HIS A 44 62.766 -29.284 15.195 1.00 0.00 N ATOM 0 H HIS A 44 62.882 -23.771 18.510 1.00 0.00 H new ATOM 0 HA HIS A 44 63.792 -26.527 18.379 1.00 0.00 H new ATOM 0 HB2 HIS A 44 61.342 -26.826 18.161 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.298 -25.639 16.874 1.00 0.00 H new ATOM 0 HD2 HIS A 44 63.513 -28.946 17.225 1.00 0.00 H new ATOM 0 HE1 HIS A 44 61.643 -28.870 13.429 1.00 0.00 H new ATOM 0 HE2 HIS A 44 63.216 -30.165 14.944 1.00 0.00 H new ATOM 690 N ASN A 45 65.304 -25.603 16.658 1.00 0.00 N ATOM 691 CA ASN A 45 66.289 -25.149 15.641 1.00 0.00 C ATOM 692 C ASN A 45 66.725 -23.677 15.873 1.00 0.00 C ATOM 693 O ASN A 45 67.328 -23.060 14.994 1.00 0.00 O ATOM 694 CB ASN A 45 65.753 -25.368 14.182 1.00 0.00 C ATOM 695 CG ASN A 45 65.405 -26.829 13.830 1.00 0.00 C ATOM 696 OD1 ASN A 45 64.492 -27.080 13.044 1.00 0.00 O ATOM 697 ND2 ASN A 45 66.137 -27.792 14.384 1.00 0.00 N ATOM 0 H ASN A 45 65.674 -26.327 17.274 1.00 0.00 H new ATOM 0 HA ASN A 45 67.178 -25.768 15.759 1.00 0.00 H new ATOM 0 HB2 ASN A 45 64.863 -24.754 14.041 1.00 0.00 H new ATOM 0 HB3 ASN A 45 66.503 -25.009 13.477 1.00 0.00 H new ATOM 0 HD21 ASN A 45 65.948 -28.769 14.160 1.00 0.00 H new ATOM 0 HD22 ASN A 45 66.887 -27.553 15.032 1.00 0.00 H new ATOM 704 N GLY A 46 66.464 -23.152 17.093 1.00 0.00 N ATOM 705 CA GLY A 46 66.743 -21.748 17.438 1.00 0.00 C ATOM 706 C GLY A 46 65.547 -20.833 17.225 1.00 0.00 C ATOM 707 O GLY A 46 65.595 -19.654 17.574 1.00 0.00 O ATOM 0 H GLY A 46 66.057 -23.690 17.858 1.00 0.00 H new ATOM 0 HA2 GLY A 46 67.055 -21.691 18.481 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.578 -21.391 16.835 1.00 0.00 H new ATOM 711 N GLN A 47 64.473 -21.390 16.639 1.00 0.00 N ATOM 712 CA GLN A 47 63.232 -20.658 16.343 1.00 0.00 C ATOM 713 C GLN A 47 62.255 -20.763 17.532 1.00 0.00 C ATOM 714 O GLN A 47 62.332 -21.709 18.334 1.00 0.00 O ATOM 715 CB GLN A 47 62.580 -21.255 15.078 1.00 0.00 C ATOM 716 CG GLN A 47 63.491 -21.325 13.836 1.00 0.00 C ATOM 717 CD GLN A 47 62.912 -22.209 12.728 1.00 0.00 C ATOM 718 OE1 GLN A 47 63.171 -23.411 12.686 1.00 0.00 O ATOM 719 NE2 GLN A 47 62.111 -21.630 11.848 1.00 0.00 N ATOM 0 H GLN A 47 64.443 -22.369 16.356 1.00 0.00 H new ATOM 0 HA GLN A 47 63.466 -19.607 16.175 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.232 -22.262 15.310 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.700 -20.662 14.829 1.00 0.00 H new ATOM 0 HG2 GLN A 47 63.647 -20.319 13.448 1.00 0.00 H new ATOM 0 HG3 GLN A 47 64.468 -21.709 14.128 1.00 0.00 H new ATOM 0 HE21 GLN A 47 61.919 -20.630 11.914 1.00 0.00 H new ATOM 0 HE22 GLN A 47 61.686 -22.183 11.104 1.00 0.00 H new ATOM 728 N GLU A 48 61.329 -19.798 17.622 1.00 0.00 N ATOM 729 CA GLU A 48 60.353 -19.700 18.722 1.00 0.00 C ATOM 730 C GLU A 48 58.926 -19.548 18.142 1.00 0.00 C ATOM 731 O GLU A 48 58.679 -18.687 17.284 1.00 0.00 O ATOM 732 CB GLU A 48 60.711 -18.520 19.681 1.00 0.00 C ATOM 733 CG GLU A 48 60.699 -17.092 19.069 1.00 0.00 C ATOM 734 CD GLU A 48 61.816 -16.825 18.036 1.00 0.00 C ATOM 735 OE1 GLU A 48 62.955 -16.516 18.440 1.00 0.00 O ATOM 736 OE2 GLU A 48 61.555 -16.927 16.817 1.00 0.00 O ATOM 0 H GLU A 48 61.234 -19.056 16.929 1.00 0.00 H new ATOM 0 HA GLU A 48 60.389 -20.616 19.312 1.00 0.00 H new ATOM 0 HB2 GLU A 48 60.012 -18.537 20.517 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.703 -18.705 20.092 1.00 0.00 H new ATOM 0 HG2 GLU A 48 59.733 -16.924 18.592 1.00 0.00 H new ATOM 0 HG3 GLU A 48 60.787 -16.365 19.876 1.00 0.00 H new ATOM 743 N TYR A 49 57.999 -20.436 18.570 1.00 0.00 N ATOM 744 CA TYR A 49 56.566 -20.387 18.152 1.00 0.00 C ATOM 745 C TYR A 49 55.669 -20.803 19.330 1.00 0.00 C ATOM 746 O TYR A 49 55.966 -21.771 20.024 1.00 0.00 O ATOM 747 CB TYR A 49 56.260 -21.270 16.880 1.00 0.00 C ATOM 748 CG TYR A 49 57.447 -22.108 16.359 1.00 0.00 C ATOM 749 CD1 TYR A 49 57.717 -23.384 16.863 1.00 0.00 C ATOM 750 CD2 TYR A 49 58.279 -21.625 15.348 1.00 0.00 C ATOM 751 CE1 TYR A 49 58.790 -24.127 16.398 1.00 0.00 C ATOM 752 CE2 TYR A 49 59.343 -22.365 14.886 1.00 0.00 C ATOM 753 CZ TYR A 49 59.587 -23.623 15.398 1.00 0.00 C ATOM 754 OH TYR A 49 60.661 -24.363 14.922 1.00 0.00 O ATOM 0 H TYR A 49 58.213 -21.202 19.209 1.00 0.00 H new ATOM 0 HA TYR A 49 56.348 -19.358 17.866 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.436 -21.944 17.115 1.00 0.00 H new ATOM 0 HB3 TYR A 49 55.918 -20.616 16.078 1.00 0.00 H new ATOM 0 HD1 TYR A 49 57.078 -23.798 17.629 1.00 0.00 H new ATOM 0 HD2 TYR A 49 58.084 -20.653 14.920 1.00 0.00 H new ATOM 0 HE1 TYR A 49 58.999 -25.099 16.820 1.00 0.00 H new ATOM 0 HE2 TYR A 49 59.989 -21.960 14.121 1.00 0.00 H new ATOM 0 HH TYR A 49 60.432 -25.316 14.933 1.00 0.00 H new ATOM 764 N LEU A 50 54.567 -20.065 19.531 1.00 0.00 N ATOM 765 CA LEU A 50 53.627 -20.273 20.647 1.00 0.00 C ATOM 766 C LEU A 50 52.611 -21.371 20.261 1.00 0.00 C ATOM 767 O LEU A 50 51.952 -21.265 19.233 1.00 0.00 O ATOM 768 CB LEU A 50 52.940 -18.894 20.963 1.00 0.00 C ATOM 769 CG LEU A 50 51.966 -18.773 22.204 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.577 -19.407 21.955 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.619 -19.340 23.485 1.00 0.00 C ATOM 0 H LEU A 50 54.299 -19.297 18.916 1.00 0.00 H new ATOM 0 HA LEU A 50 54.137 -20.616 21.547 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.733 -18.158 21.097 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.378 -18.599 20.077 1.00 0.00 H new ATOM 0 HG LEU A 50 51.791 -17.707 22.350 1.00 0.00 H new ATOM 0 HD11 LEU A 50 49.959 -19.289 22.845 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.097 -18.911 21.111 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.696 -20.468 21.733 1.00 0.00 H new ATOM 0 HD21 LEU A 50 51.926 -19.243 24.320 1.00 0.00 H new ATOM 0 HD22 LEU A 50 52.861 -20.392 23.335 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.531 -18.785 23.704 1.00 0.00 H new ATOM 783 N LEU A 51 52.508 -22.433 21.077 1.00 0.00 N ATOM 784 CA LEU A 51 51.444 -23.457 20.946 1.00 0.00 C ATOM 785 C LEU A 51 50.631 -23.475 22.235 1.00 0.00 C ATOM 786 O LEU A 51 51.200 -23.411 23.340 1.00 0.00 O ATOM 787 CB LEU A 51 52.036 -24.864 20.666 1.00 0.00 C ATOM 788 CG LEU A 51 51.035 -26.054 20.482 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.091 -25.830 19.290 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.789 -27.398 20.341 1.00 0.00 C ATOM 0 H LEU A 51 53.155 -22.611 21.845 1.00 0.00 H new ATOM 0 HA LEU A 51 50.808 -23.201 20.099 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.646 -24.797 19.765 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.707 -25.115 21.488 1.00 0.00 H new ATOM 0 HG LEU A 51 50.420 -26.099 21.381 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.413 -26.679 19.198 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.513 -24.920 19.450 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.676 -25.732 18.376 1.00 0.00 H new ATOM 0 HD21 LEU A 51 51.070 -28.207 20.215 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.446 -27.357 19.472 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.383 -27.578 21.237 1.00 0.00 H new ATOM 802 N ARG A 52 49.304 -23.549 22.092 1.00 0.00 N ATOM 803 CA ARG A 52 48.379 -23.548 23.235 1.00 0.00 C ATOM 804 C ARG A 52 47.227 -24.540 23.027 1.00 0.00 C ATOM 805 O ARG A 52 46.759 -24.722 21.901 1.00 0.00 O ATOM 806 CB ARG A 52 47.824 -22.113 23.451 1.00 0.00 C ATOM 807 CG ARG A 52 47.084 -21.518 22.233 1.00 0.00 C ATOM 808 CD ARG A 52 46.552 -20.103 22.486 1.00 0.00 C ATOM 809 NE ARG A 52 45.637 -20.061 23.640 1.00 0.00 N ATOM 810 CZ ARG A 52 44.915 -18.999 24.028 1.00 0.00 C ATOM 811 NH1 ARG A 52 44.927 -17.853 23.349 1.00 0.00 N ATOM 812 NH2 ARG A 52 44.152 -19.103 25.108 1.00 0.00 N ATOM 0 H ARG A 52 48.840 -23.611 21.186 1.00 0.00 H new ATOM 0 HA ARG A 52 48.928 -23.865 24.122 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.143 -22.126 24.302 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.651 -21.454 23.714 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.760 -21.498 21.378 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.252 -22.170 21.966 1.00 0.00 H new ATOM 0 HD2 ARG A 52 47.388 -19.426 22.660 1.00 0.00 H new ATOM 0 HD3 ARG A 52 46.032 -19.746 21.597 1.00 0.00 H new ATOM 0 HE ARG A 52 45.544 -20.914 24.192 1.00 0.00 H new ATOM 0 HH11 ARG A 52 45.497 -17.765 22.508 1.00 0.00 H new ATOM 0 HH12 ARG A 52 44.366 -17.064 23.671 1.00 0.00 H new ATOM 0 HH21 ARG A 52 44.121 -19.980 25.628 1.00 0.00 H new ATOM 0 HH22 ARG A 52 43.596 -18.306 25.418 1.00 0.00 H new ATOM 826 N LYS A 53 46.796 -25.187 24.127 1.00 0.00 N ATOM 827 CA LYS A 53 45.585 -26.016 24.150 1.00 0.00 C ATOM 828 C LYS A 53 44.375 -25.097 24.359 1.00 0.00 C ATOM 829 O LYS A 53 44.102 -24.664 25.486 1.00 0.00 O ATOM 830 CB LYS A 53 45.663 -27.093 25.276 1.00 0.00 C ATOM 831 CG LYS A 53 46.739 -28.174 25.056 1.00 0.00 C ATOM 832 CD LYS A 53 46.898 -29.170 26.238 1.00 0.00 C ATOM 833 CE LYS A 53 45.738 -30.173 26.386 1.00 0.00 C ATOM 834 NZ LYS A 53 44.467 -29.550 26.854 1.00 0.00 N ATOM 0 H LYS A 53 47.281 -25.147 25.023 1.00 0.00 H new ATOM 0 HA LYS A 53 45.488 -26.548 23.204 1.00 0.00 H new ATOM 0 HB2 LYS A 53 45.857 -26.594 26.225 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.691 -27.579 25.364 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.494 -28.735 24.154 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.697 -27.685 24.877 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.827 -29.725 26.107 1.00 0.00 H new ATOM 0 HD3 LYS A 53 46.993 -28.603 27.164 1.00 0.00 H new ATOM 0 HE2 LYS A 53 45.563 -30.658 25.426 1.00 0.00 H new ATOM 0 HE3 LYS A 53 46.031 -30.953 27.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 44.019 -30.166 27.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 44.671 -28.624 27.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 43.824 -29.425 26.047 1.00 0.00 H new ATOM 848 N THR A 54 43.687 -24.768 23.252 1.00 0.00 N ATOM 849 CA THR A 54 42.482 -23.926 23.267 1.00 0.00 C ATOM 850 C THR A 54 41.381 -24.654 24.061 1.00 0.00 C ATOM 851 O THR A 54 41.235 -25.881 23.924 1.00 0.00 O ATOM 852 CB THR A 54 41.979 -23.619 21.811 1.00 0.00 C ATOM 853 OG1 THR A 54 41.429 -24.790 21.210 1.00 0.00 O ATOM 854 CG2 THR A 54 43.112 -23.093 20.925 1.00 0.00 C ATOM 0 H THR A 54 43.954 -25.081 22.319 1.00 0.00 H new ATOM 0 HA THR A 54 42.723 -22.974 23.739 1.00 0.00 H new ATOM 0 HB THR A 54 41.210 -22.851 21.894 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.601 -24.558 20.739 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.728 -22.891 19.925 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.511 -22.173 21.353 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.904 -23.839 20.866 1.00 0.00 H new ATOM 862 N GLN A 55 40.616 -23.910 24.893 1.00 0.00 N ATOM 863 CA GLN A 55 39.590 -24.504 25.788 1.00 0.00 C ATOM 864 C GLN A 55 38.324 -24.963 25.012 1.00 0.00 C ATOM 865 O GLN A 55 37.372 -25.461 25.622 1.00 0.00 O ATOM 866 CB GLN A 55 39.235 -23.525 26.946 1.00 0.00 C ATOM 867 CG GLN A 55 38.582 -22.193 26.520 1.00 0.00 C ATOM 868 CD GLN A 55 38.261 -21.270 27.702 1.00 0.00 C ATOM 869 OE1 GLN A 55 38.006 -21.728 28.817 1.00 0.00 O ATOM 870 NE2 GLN A 55 38.236 -19.968 27.464 1.00 0.00 N ATOM 0 H GLN A 55 40.689 -22.895 24.965 1.00 0.00 H new ATOM 0 HA GLN A 55 40.022 -25.403 26.227 1.00 0.00 H new ATOM 0 HB2 GLN A 55 38.561 -24.035 27.634 1.00 0.00 H new ATOM 0 HB3 GLN A 55 40.147 -23.301 27.500 1.00 0.00 H new ATOM 0 HG2 GLN A 55 39.249 -21.673 25.832 1.00 0.00 H new ATOM 0 HG3 GLN A 55 37.663 -22.405 25.974 1.00 0.00 H new ATOM 0 HE21 GLN A 55 38.451 -19.616 26.531 1.00 0.00 H new ATOM 0 HE22 GLN A 55 38.001 -19.317 28.213 1.00 0.00 H new ATOM 879 N ALA A 56 38.343 -24.795 23.669 1.00 0.00 N ATOM 880 CA ALA A 56 37.391 -25.455 22.749 1.00 0.00 C ATOM 881 C ALA A 56 37.665 -26.979 22.672 1.00 0.00 C ATOM 882 O ALA A 56 36.799 -27.758 22.258 1.00 0.00 O ATOM 883 CB ALA A 56 37.495 -24.820 21.349 1.00 0.00 C ATOM 0 H ALA A 56 39.020 -24.198 23.194 1.00 0.00 H new ATOM 0 HA ALA A 56 36.380 -25.313 23.132 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.792 -25.309 20.675 1.00 0.00 H new ATOM 0 HB2 ALA A 56 37.258 -23.758 21.413 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.509 -24.943 20.968 1.00 0.00 H new ATOM 889 N GLY A 57 38.883 -27.368 23.089 1.00 0.00 N ATOM 890 CA GLY A 57 39.341 -28.759 23.076 1.00 0.00 C ATOM 891 C GLY A 57 40.299 -29.029 21.930 1.00 0.00 C ATOM 892 O GLY A 57 40.324 -30.135 21.380 1.00 0.00 O ATOM 0 H GLY A 57 39.580 -26.715 23.447 1.00 0.00 H new ATOM 0 HA2 GLY A 57 39.832 -28.988 24.022 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.481 -29.424 22.994 1.00 0.00 H new ATOM 896 N LYS A 58 41.105 -28.007 21.574 1.00 0.00 N ATOM 897 CA LYS A 58 42.008 -28.040 20.388 1.00 0.00 C ATOM 898 C LYS A 58 43.401 -27.502 20.735 1.00 0.00 C ATOM 899 O LYS A 58 43.679 -27.169 21.883 1.00 0.00 O ATOM 900 CB LYS A 58 41.396 -27.191 19.241 1.00 0.00 C ATOM 901 CG LYS A 58 40.118 -27.770 18.600 1.00 0.00 C ATOM 902 CD LYS A 58 39.431 -26.768 17.640 1.00 0.00 C ATOM 903 CE LYS A 58 40.404 -26.135 16.637 1.00 0.00 C ATOM 904 NZ LYS A 58 39.699 -25.292 15.635 1.00 0.00 N ATOM 0 H LYS A 58 41.153 -27.132 22.096 1.00 0.00 H new ATOM 0 HA LYS A 58 42.111 -29.077 20.069 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.170 -26.197 19.628 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.149 -27.067 18.462 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.369 -28.679 18.053 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.418 -28.054 19.386 1.00 0.00 H new ATOM 0 HD2 LYS A 58 38.639 -27.281 17.095 1.00 0.00 H new ATOM 0 HD3 LYS A 58 38.957 -25.980 18.225 1.00 0.00 H new ATOM 0 HE2 LYS A 58 41.133 -25.528 17.173 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.959 -26.921 16.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 40.392 -24.883 14.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 39.021 -25.876 15.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 39.190 -24.526 16.122 1.00 0.00 H new ATOM 918 N LEU A 59 44.273 -27.457 19.710 1.00 0.00 N ATOM 919 CA LEU A 59 45.581 -26.769 19.758 1.00 0.00 C ATOM 920 C LEU A 59 45.537 -25.489 18.892 1.00 0.00 C ATOM 921 O LEU A 59 44.595 -25.284 18.118 1.00 0.00 O ATOM 922 CB LEU A 59 46.722 -27.715 19.272 1.00 0.00 C ATOM 923 CG LEU A 59 47.108 -28.883 20.233 1.00 0.00 C ATOM 924 CD1 LEU A 59 48.206 -29.782 19.622 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.549 -28.342 21.604 1.00 0.00 C ATOM 0 H LEU A 59 44.088 -27.903 18.812 1.00 0.00 H new ATOM 0 HA LEU A 59 45.788 -26.490 20.791 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.427 -28.143 18.314 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.612 -27.113 19.091 1.00 0.00 H new ATOM 0 HG LEU A 59 46.219 -29.497 20.375 1.00 0.00 H new ATOM 0 HD11 LEU A 59 48.449 -30.584 20.319 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.846 -30.211 18.687 1.00 0.00 H new ATOM 0 HD13 LEU A 59 49.098 -29.186 19.429 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.813 -29.175 22.256 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.415 -27.692 21.477 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.732 -27.776 22.051 1.00 0.00 H new ATOM 937 N LEU A 60 46.549 -24.616 19.059 1.00 0.00 N ATOM 938 CA LEU A 60 46.707 -23.405 18.233 1.00 0.00 C ATOM 939 C LEU A 60 48.197 -23.032 18.168 1.00 0.00 C ATOM 940 O LEU A 60 48.766 -22.594 19.180 1.00 0.00 O ATOM 941 CB LEU A 60 45.876 -22.240 18.833 1.00 0.00 C ATOM 942 CG LEU A 60 45.595 -21.028 17.901 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.671 -21.439 16.736 1.00 0.00 C ATOM 944 CD2 LEU A 60 44.995 -19.851 18.698 1.00 0.00 C ATOM 0 H LEU A 60 47.275 -24.730 19.766 1.00 0.00 H new ATOM 0 HA LEU A 60 46.343 -23.597 17.224 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.919 -22.642 19.166 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.394 -21.874 19.719 1.00 0.00 H new ATOM 0 HG LEU A 60 46.543 -20.695 17.477 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.487 -20.576 16.096 1.00 0.00 H new ATOM 0 HD12 LEU A 60 45.148 -22.228 16.154 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.724 -21.804 17.134 1.00 0.00 H new ATOM 0 HD21 LEU A 60 44.807 -19.014 18.025 1.00 0.00 H new ATOM 0 HD22 LEU A 60 44.058 -20.164 19.159 1.00 0.00 H new ATOM 0 HD23 LEU A 60 45.696 -19.542 19.474 1.00 0.00 H new ATOM 956 N LEU A 61 48.836 -23.281 17.004 1.00 0.00 N ATOM 957 CA LEU A 61 50.249 -22.922 16.773 1.00 0.00 C ATOM 958 C LEU A 61 50.283 -21.536 16.113 1.00 0.00 C ATOM 959 O LEU A 61 50.002 -21.393 14.914 1.00 0.00 O ATOM 960 CB LEU A 61 50.966 -24.011 15.897 1.00 0.00 C ATOM 961 CG LEU A 61 52.550 -23.989 15.807 1.00 0.00 C ATOM 962 CD1 LEU A 61 53.108 -22.813 14.962 1.00 0.00 C ATOM 963 CD2 LEU A 61 53.196 -24.014 17.213 1.00 0.00 C ATOM 0 H LEU A 61 48.390 -23.733 16.206 1.00 0.00 H new ATOM 0 HA LEU A 61 50.793 -22.884 17.717 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.669 -24.989 16.276 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.575 -23.930 14.883 1.00 0.00 H new ATOM 0 HG LEU A 61 52.827 -24.902 15.279 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.197 -22.862 14.945 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.725 -22.883 13.944 1.00 0.00 H new ATOM 0 HD13 LEU A 61 52.794 -21.867 15.403 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.281 -23.998 17.115 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.870 -23.141 17.779 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.892 -24.920 17.737 1.00 0.00 H new ATOM 975 N THR A 62 50.573 -20.523 16.929 1.00 0.00 N ATOM 976 CA THR A 62 50.812 -19.153 16.485 1.00 0.00 C ATOM 977 C THR A 62 52.325 -18.869 16.528 1.00 0.00 C ATOM 978 O THR A 62 53.098 -19.625 17.136 1.00 0.00 O ATOM 979 CB THR A 62 50.046 -18.140 17.400 1.00 0.00 C ATOM 980 OG1 THR A 62 50.502 -18.257 18.761 1.00 0.00 O ATOM 981 CG2 THR A 62 48.521 -18.371 17.352 1.00 0.00 C ATOM 0 H THR A 62 50.650 -20.636 17.940 1.00 0.00 H new ATOM 0 HA THR A 62 50.446 -19.034 15.465 1.00 0.00 H new ATOM 0 HB THR A 62 50.254 -17.138 17.024 1.00 0.00 H new ATOM 0 HG1 THR A 62 50.018 -17.618 19.324 1.00 0.00 H new ATOM 0 HG21 THR A 62 48.023 -17.649 17.999 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.166 -18.246 16.329 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.295 -19.381 17.694 1.00 0.00 H new ATOM 989 N LYS A 63 52.750 -17.790 15.860 1.00 0.00 N ATOM 990 CA LYS A 63 54.157 -17.352 15.863 1.00 0.00 C ATOM 991 C LYS A 63 54.386 -16.358 17.033 1.00 0.00 C ATOM 992 O LYS A 63 54.712 -16.815 18.155 1.00 0.00 O ATOM 993 CB LYS A 63 54.519 -16.736 14.475 1.00 0.00 C ATOM 994 CG LYS A 63 54.370 -17.715 13.284 1.00 0.00 C ATOM 995 CD LYS A 63 55.297 -18.954 13.407 1.00 0.00 C ATOM 996 CE LYS A 63 55.091 -19.966 12.268 1.00 0.00 C ATOM 997 NZ LYS A 63 56.051 -21.111 12.355 1.00 0.00 N ATOM 998 OXT LYS A 63 54.182 -15.137 16.850 1.00 0.00 O ATOM 0 H LYS A 63 52.134 -17.196 15.304 1.00 0.00 H new ATOM 0 HA LYS A 63 54.820 -18.202 16.021 1.00 0.00 H new ATOM 0 HB2 LYS A 63 53.883 -15.869 14.299 1.00 0.00 H new ATOM 0 HB3 LYS A 63 55.547 -16.376 14.508 1.00 0.00 H new ATOM 0 HG2 LYS A 63 53.334 -18.047 13.219 1.00 0.00 H new ATOM 0 HG3 LYS A 63 54.595 -17.189 12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 63 56.336 -18.626 13.412 1.00 0.00 H new ATOM 0 HD3 LYS A 63 55.114 -19.446 14.362 1.00 0.00 H new ATOM 0 HE2 LYS A 63 54.070 -20.346 12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 63 55.213 -19.462 11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 55.878 -21.770 11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 57.025 -20.752 12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 55.918 -21.608 13.259 1.00 0.00 H new