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 47 GLN : amide:sc= 0.343 X(o=0.77,f=0.78) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0.431 USER MOD Single : A 29 ASN : amide:sc= -0.635 K(o=-0.64,f=0.031) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 45 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.13) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 160:sc= -1.92! USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -17:sc= 0.648 USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.187) USER MOD ----------------------------------------------------------------- ATOM 355 N ALA A 23 49.336 -16.673 25.480 1.00 0.00 N ATOM 356 CA ALA A 23 48.883 -17.735 26.408 1.00 0.00 C ATOM 357 C ALA A 23 49.961 -18.043 27.464 1.00 0.00 C ATOM 358 O ALA A 23 49.652 -18.329 28.628 1.00 0.00 O ATOM 359 CB ALA A 23 48.514 -18.994 25.630 1.00 0.00 C ATOM 0 HA ALA A 23 47.996 -17.377 26.931 1.00 0.00 H new ATOM 0 HB1 ALA A 23 48.183 -19.767 26.324 1.00 0.00 H new ATOM 0 HB2 ALA A 23 47.710 -18.766 24.930 1.00 0.00 H new ATOM 0 HB3 ALA A 23 49.385 -19.350 25.080 1.00 0.00 H new ATOM 365 N ALA A 24 51.221 -17.944 27.033 1.00 0.00 N ATOM 366 CA ALA A 24 52.390 -18.128 27.892 1.00 0.00 C ATOM 367 C ALA A 24 53.627 -17.512 27.228 1.00 0.00 C ATOM 368 O ALA A 24 53.574 -17.073 26.077 1.00 0.00 O ATOM 369 CB ALA A 24 52.617 -19.619 28.172 1.00 0.00 C ATOM 0 H ALA A 24 51.459 -17.731 26.064 1.00 0.00 H new ATOM 0 HA ALA A 24 52.214 -17.624 28.842 1.00 0.00 H new ATOM 0 HB1 ALA A 24 53.491 -19.740 28.813 1.00 0.00 H new ATOM 0 HB2 ALA A 24 51.741 -20.033 28.671 1.00 0.00 H new ATOM 0 HB3 ALA A 24 52.781 -20.145 27.232 1.00 0.00 H new ATOM 375 N GLU A 25 54.732 -17.496 27.972 1.00 0.00 N ATOM 376 CA GLU A 25 56.052 -17.100 27.460 1.00 0.00 C ATOM 377 C GLU A 25 57.140 -17.996 28.094 1.00 0.00 C ATOM 378 O GLU A 25 58.244 -17.553 28.419 1.00 0.00 O ATOM 379 CB GLU A 25 56.269 -15.557 27.647 1.00 0.00 C ATOM 380 CG GLU A 25 55.857 -14.964 29.013 1.00 0.00 C ATOM 381 CD GLU A 25 56.763 -15.390 30.180 1.00 0.00 C ATOM 382 OE1 GLU A 25 57.894 -14.871 30.273 1.00 0.00 O ATOM 383 OE2 GLU A 25 56.352 -16.254 30.981 1.00 0.00 O ATOM 0 H GLU A 25 54.741 -17.759 28.957 1.00 0.00 H new ATOM 0 HA GLU A 25 56.120 -17.264 26.385 1.00 0.00 H new ATOM 0 HB2 GLU A 25 57.324 -15.339 27.485 1.00 0.00 H new ATOM 0 HB3 GLU A 25 55.712 -15.037 26.867 1.00 0.00 H new ATOM 0 HG2 GLU A 25 55.862 -13.876 28.941 1.00 0.00 H new ATOM 0 HG3 GLU A 25 54.833 -15.264 29.234 1.00 0.00 H new ATOM 390 N ARG A 26 56.791 -19.288 28.243 1.00 0.00 N ATOM 391 CA ARG A 26 57.717 -20.341 28.696 1.00 0.00 C ATOM 392 C ARG A 26 58.566 -20.846 27.504 1.00 0.00 C ATOM 393 O ARG A 26 58.115 -21.683 26.723 1.00 0.00 O ATOM 394 CB ARG A 26 56.913 -21.505 29.364 1.00 0.00 C ATOM 395 CG ARG A 26 57.737 -22.786 29.639 1.00 0.00 C ATOM 396 CD ARG A 26 56.994 -23.865 30.454 1.00 0.00 C ATOM 397 NE ARG A 26 57.845 -25.061 30.643 1.00 0.00 N ATOM 398 CZ ARG A 26 57.539 -26.321 30.278 1.00 0.00 C ATOM 399 NH1 ARG A 26 56.353 -26.624 29.764 1.00 0.00 N ATOM 400 NH2 ARG A 26 58.430 -27.284 30.444 1.00 0.00 N ATOM 0 H ARG A 26 55.850 -19.632 28.050 1.00 0.00 H new ATOM 0 HA ARG A 26 58.399 -19.933 29.442 1.00 0.00 H new ATOM 0 HB2 ARG A 26 56.498 -21.147 30.306 1.00 0.00 H new ATOM 0 HB3 ARG A 26 56.071 -21.762 28.722 1.00 0.00 H new ATOM 0 HG2 ARG A 26 58.044 -23.216 28.686 1.00 0.00 H new ATOM 0 HG3 ARG A 26 58.647 -22.510 30.172 1.00 0.00 H new ATOM 0 HD2 ARG A 26 56.707 -23.460 31.425 1.00 0.00 H new ATOM 0 HD3 ARG A 26 56.074 -24.145 29.941 1.00 0.00 H new ATOM 0 HE ARG A 26 58.749 -24.918 31.092 1.00 0.00 H new ATOM 0 HH11 ARG A 26 55.650 -25.895 29.638 1.00 0.00 H new ATOM 0 HH12 ARG A 26 56.144 -27.586 29.495 1.00 0.00 H new ATOM 0 HH21 ARG A 26 59.343 -27.071 30.846 1.00 0.00 H new ATOM 0 HH22 ARG A 26 58.205 -28.240 30.170 1.00 0.00 H new ATOM 414 N ARG A 27 59.784 -20.291 27.347 1.00 0.00 N ATOM 415 CA ARG A 27 60.731 -20.704 26.283 1.00 0.00 C ATOM 416 C ARG A 27 61.392 -22.041 26.676 1.00 0.00 C ATOM 417 O ARG A 27 62.357 -22.067 27.452 1.00 0.00 O ATOM 418 CB ARG A 27 61.842 -19.632 26.007 1.00 0.00 C ATOM 419 CG ARG A 27 61.351 -18.288 25.417 1.00 0.00 C ATOM 420 CD ARG A 27 60.670 -17.373 26.439 1.00 0.00 C ATOM 421 NE ARG A 27 60.317 -16.061 25.866 1.00 0.00 N ATOM 422 CZ ARG A 27 59.838 -15.013 26.561 1.00 0.00 C ATOM 423 NH1 ARG A 27 59.604 -15.107 27.868 1.00 0.00 N ATOM 424 NH2 ARG A 27 59.587 -13.876 25.944 1.00 0.00 N ATOM 0 H ARG A 27 60.141 -19.548 27.948 1.00 0.00 H new ATOM 0 HA ARG A 27 60.156 -20.814 25.364 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.363 -19.428 26.942 1.00 0.00 H new ATOM 0 HB3 ARG A 27 62.573 -20.062 25.322 1.00 0.00 H new ATOM 0 HG2 ARG A 27 62.201 -17.762 24.982 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.653 -18.492 24.605 1.00 0.00 H new ATOM 0 HD2 ARG A 27 59.769 -17.858 26.814 1.00 0.00 H new ATOM 0 HD3 ARG A 27 61.333 -17.228 27.292 1.00 0.00 H new ATOM 0 HE ARG A 27 60.446 -15.938 24.862 1.00 0.00 H new ATOM 0 HH11 ARG A 27 59.788 -15.983 28.357 1.00 0.00 H new ATOM 0 HH12 ARG A 27 59.241 -14.303 28.380 1.00 0.00 H new ATOM 0 HH21 ARG A 27 59.756 -13.792 24.942 1.00 0.00 H new ATOM 0 HH22 ARG A 27 59.224 -13.080 26.469 1.00 0.00 H new ATOM 438 N VAL A 28 60.820 -23.141 26.186 1.00 0.00 N ATOM 439 CA VAL A 28 61.357 -24.503 26.370 1.00 0.00 C ATOM 440 C VAL A 28 61.391 -25.218 25.025 1.00 0.00 C ATOM 441 O VAL A 28 60.644 -24.862 24.114 1.00 0.00 O ATOM 442 CB VAL A 28 60.509 -25.356 27.394 1.00 0.00 C ATOM 443 CG1 VAL A 28 60.728 -24.868 28.845 1.00 0.00 C ATOM 444 CG2 VAL A 28 59.010 -25.343 27.010 1.00 0.00 C ATOM 0 H VAL A 28 59.958 -23.118 25.641 1.00 0.00 H new ATOM 0 HA VAL A 28 62.362 -24.404 26.781 1.00 0.00 H new ATOM 0 HB VAL A 28 60.856 -26.388 27.344 1.00 0.00 H new ATOM 0 HG11 VAL A 28 60.131 -25.474 29.527 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.782 -24.961 29.105 1.00 0.00 H new ATOM 0 HG13 VAL A 28 60.425 -23.824 28.928 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.445 -25.937 27.729 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.641 -24.317 27.017 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.886 -25.766 26.013 1.00 0.00 H new ATOM 454 N ASN A 29 62.245 -26.250 24.939 1.00 0.00 N ATOM 455 CA ASN A 29 62.418 -27.073 23.721 1.00 0.00 C ATOM 456 C ASN A 29 61.103 -27.797 23.353 1.00 0.00 C ATOM 457 O ASN A 29 60.232 -27.983 24.208 1.00 0.00 O ATOM 458 CB ASN A 29 63.560 -28.099 23.927 1.00 0.00 C ATOM 459 CG ASN A 29 64.876 -27.434 24.331 1.00 0.00 C ATOM 460 OD1 ASN A 29 65.733 -27.132 23.498 1.00 0.00 O ATOM 461 ND2 ASN A 29 65.036 -27.171 25.618 1.00 0.00 N ATOM 0 H ASN A 29 62.840 -26.542 25.714 1.00 0.00 H new ATOM 0 HA ASN A 29 62.683 -26.412 22.896 1.00 0.00 H new ATOM 0 HB2 ASN A 29 63.267 -28.815 24.695 1.00 0.00 H new ATOM 0 HB3 ASN A 29 63.709 -28.663 23.006 1.00 0.00 H new ATOM 0 HD21 ASN A 29 65.885 -26.707 25.942 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.311 -27.432 26.286 1.00 0.00 H new ATOM 468 N SER A 30 60.993 -28.196 22.072 1.00 0.00 N ATOM 469 CA SER A 30 59.796 -28.862 21.492 1.00 0.00 C ATOM 470 C SER A 30 59.345 -30.128 22.269 1.00 0.00 C ATOM 471 O SER A 30 58.176 -30.520 22.179 1.00 0.00 O ATOM 472 CB SER A 30 60.064 -29.188 20.002 1.00 0.00 C ATOM 473 OG SER A 30 58.880 -29.594 19.334 1.00 0.00 O ATOM 0 H SER A 30 61.743 -28.065 21.393 1.00 0.00 H new ATOM 0 HA SER A 30 58.965 -28.162 21.579 1.00 0.00 H new ATOM 0 HB2 SER A 30 60.479 -28.311 19.506 1.00 0.00 H new ATOM 0 HB3 SER A 30 60.812 -29.978 19.931 1.00 0.00 H new ATOM 0 HG SER A 30 59.085 -29.790 18.396 1.00 0.00 H new ATOM 479 N GLN A 31 60.267 -30.747 23.033 1.00 0.00 N ATOM 480 CA GLN A 31 59.953 -31.904 23.900 1.00 0.00 C ATOM 481 C GLN A 31 58.853 -31.540 24.933 1.00 0.00 C ATOM 482 O GLN A 31 57.944 -32.343 25.201 1.00 0.00 O ATOM 483 CB GLN A 31 61.239 -32.427 24.618 1.00 0.00 C ATOM 484 CG GLN A 31 61.915 -31.408 25.561 1.00 0.00 C ATOM 485 CD GLN A 31 63.137 -31.954 26.302 1.00 0.00 C ATOM 486 OE1 GLN A 31 63.242 -33.150 26.578 1.00 0.00 O ATOM 487 NE2 GLN A 31 64.049 -31.074 26.668 1.00 0.00 N ATOM 0 H GLN A 31 61.246 -30.462 23.068 1.00 0.00 H new ATOM 0 HA GLN A 31 59.570 -32.705 23.267 1.00 0.00 H new ATOM 0 HB2 GLN A 31 60.981 -33.317 25.193 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.961 -32.735 23.861 1.00 0.00 H new ATOM 0 HG2 GLN A 31 62.216 -30.536 24.980 1.00 0.00 H new ATOM 0 HG3 GLN A 31 61.183 -31.066 26.293 1.00 0.00 H new ATOM 0 HE21 GLN A 31 63.935 -30.090 26.425 1.00 0.00 H new ATOM 0 HE22 GLN A 31 64.868 -31.378 27.194 1.00 0.00 H new ATOM 496 N ALA A 32 58.923 -30.305 25.470 1.00 0.00 N ATOM 497 CA ALA A 32 57.945 -29.769 26.432 1.00 0.00 C ATOM 498 C ALA A 32 56.996 -28.765 25.740 1.00 0.00 C ATOM 499 O ALA A 32 56.558 -27.788 26.365 1.00 0.00 O ATOM 500 CB ALA A 32 58.701 -29.127 27.612 1.00 0.00 C ATOM 0 H ALA A 32 59.669 -29.647 25.244 1.00 0.00 H new ATOM 0 HA ALA A 32 57.323 -30.577 26.818 1.00 0.00 H new ATOM 0 HB1 ALA A 32 57.984 -28.727 28.329 1.00 0.00 H new ATOM 0 HB2 ALA A 32 59.321 -29.879 28.099 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.333 -28.320 27.243 1.00 0.00 H new ATOM 506 N LEU A 33 56.644 -29.060 24.456 1.00 0.00 N ATOM 507 CA LEU A 33 55.726 -28.230 23.616 1.00 0.00 C ATOM 508 C LEU A 33 54.372 -27.906 24.296 1.00 0.00 C ATOM 509 O LEU A 33 53.717 -26.918 23.933 1.00 0.00 O ATOM 510 CB LEU A 33 55.472 -28.891 22.214 1.00 0.00 C ATOM 511 CG LEU A 33 54.508 -30.127 22.127 1.00 0.00 C ATOM 512 CD1 LEU A 33 54.273 -30.546 20.657 1.00 0.00 C ATOM 513 CD2 LEU A 33 55.004 -31.329 22.964 1.00 0.00 C ATOM 0 H LEU A 33 56.991 -29.887 23.970 1.00 0.00 H new ATOM 0 HA LEU A 33 56.248 -27.282 23.483 1.00 0.00 H new ATOM 0 HB2 LEU A 33 55.081 -28.119 21.551 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.438 -29.197 21.813 1.00 0.00 H new ATOM 0 HG LEU A 33 53.558 -29.810 22.557 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.602 -31.404 20.626 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.826 -29.716 20.109 1.00 0.00 H new ATOM 0 HD13 LEU A 33 55.225 -30.813 20.198 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.300 -32.155 22.867 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.984 -31.643 22.604 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.079 -31.037 24.011 1.00 0.00 H new ATOM 525 N LEU A 34 53.950 -28.746 25.260 1.00 0.00 N ATOM 526 CA LEU A 34 52.741 -28.504 26.065 1.00 0.00 C ATOM 527 C LEU A 34 53.071 -28.668 27.553 1.00 0.00 C ATOM 528 O LEU A 34 53.096 -27.683 28.305 1.00 0.00 O ATOM 529 CB LEU A 34 51.589 -29.470 25.646 1.00 0.00 C ATOM 530 CG LEU A 34 50.998 -29.282 24.210 1.00 0.00 C ATOM 531 CD1 LEU A 34 49.913 -30.344 23.906 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.451 -27.843 24.017 1.00 0.00 C ATOM 0 H LEU A 34 54.437 -29.609 25.501 1.00 0.00 H new ATOM 0 HA LEU A 34 52.399 -27.484 25.887 1.00 0.00 H new ATOM 0 HB2 LEU A 34 51.956 -30.493 25.731 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.777 -29.362 26.365 1.00 0.00 H new ATOM 0 HG LEU A 34 51.807 -29.427 23.494 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.522 -30.187 22.901 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.350 -31.340 23.974 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.103 -30.253 24.629 1.00 0.00 H new ATOM 0 HD21 LEU A 34 50.046 -27.740 23.010 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.664 -27.652 24.746 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.259 -27.125 24.159 1.00 0.00 H new ATOM 544 N GLY A 35 53.335 -29.924 27.951 1.00 0.00 N ATOM 545 CA GLY A 35 53.510 -30.283 29.356 1.00 0.00 C ATOM 546 C GLY A 35 52.203 -30.164 30.148 1.00 0.00 C ATOM 547 O GLY A 35 51.119 -30.135 29.543 1.00 0.00 O ATOM 0 H GLY A 35 53.431 -30.710 27.307 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.884 -31.305 29.425 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.265 -29.637 29.804 1.00 0.00 H new ATOM 551 N PRO A 36 52.265 -30.090 31.515 1.00 0.00 N ATOM 552 CA PRO A 36 51.081 -29.759 32.360 1.00 0.00 C ATOM 553 C PRO A 36 50.640 -28.285 32.207 1.00 0.00 C ATOM 554 O PRO A 36 49.553 -27.907 32.666 1.00 0.00 O ATOM 555 CB PRO A 36 51.573 -30.069 33.796 1.00 0.00 C ATOM 556 CG PRO A 36 53.060 -29.886 33.726 1.00 0.00 C ATOM 557 CD PRO A 36 53.465 -30.374 32.348 1.00 0.00 C ATOM 0 HA PRO A 36 50.195 -30.329 32.080 1.00 0.00 H new ATOM 0 HB2 PRO A 36 51.123 -29.395 34.525 1.00 0.00 H new ATOM 0 HB3 PRO A 36 51.311 -31.084 34.096 1.00 0.00 H new ATOM 0 HG2 PRO A 36 53.334 -28.841 33.868 1.00 0.00 H new ATOM 0 HG3 PRO A 36 53.563 -30.456 34.507 1.00 0.00 H new ATOM 0 HD2 PRO A 36 54.345 -29.848 31.978 1.00 0.00 H new ATOM 0 HD3 PRO A 36 53.708 -31.437 32.353 1.00 0.00 H new ATOM 565 N ASP A 37 51.500 -27.474 31.560 1.00 0.00 N ATOM 566 CA ASP A 37 51.214 -26.067 31.218 1.00 0.00 C ATOM 567 C ASP A 37 50.101 -26.008 30.166 1.00 0.00 C ATOM 568 O ASP A 37 49.119 -25.276 30.320 1.00 0.00 O ATOM 569 CB ASP A 37 52.498 -25.373 30.676 1.00 0.00 C ATOM 570 CG ASP A 37 53.668 -25.404 31.673 1.00 0.00 C ATOM 571 OD1 ASP A 37 54.252 -26.491 31.875 1.00 0.00 O ATOM 572 OD2 ASP A 37 53.995 -24.355 32.272 1.00 0.00 O ATOM 0 H ASP A 37 52.424 -27.782 31.257 1.00 0.00 H new ATOM 0 HA ASP A 37 50.887 -25.542 32.116 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.804 -25.861 29.751 1.00 0.00 H new ATOM 0 HB3 ASP A 37 52.267 -24.337 30.429 1.00 0.00 H new ATOM 577 N GLY A 38 50.289 -26.809 29.094 1.00 0.00 N ATOM 578 CA GLY A 38 49.366 -26.855 27.953 1.00 0.00 C ATOM 579 C GLY A 38 49.506 -25.658 27.011 1.00 0.00 C ATOM 580 O GLY A 38 48.762 -25.539 26.049 1.00 0.00 O ATOM 0 H GLY A 38 51.086 -27.439 29.001 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.540 -27.773 27.391 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.342 -26.898 28.325 1.00 0.00 H new ATOM 584 N LYS A 39 50.480 -24.781 27.298 1.00 0.00 N ATOM 585 CA LYS A 39 50.713 -23.529 26.557 1.00 0.00 C ATOM 586 C LYS A 39 52.141 -23.047 26.861 1.00 0.00 C ATOM 587 O LYS A 39 52.448 -22.710 28.010 1.00 0.00 O ATOM 588 CB LYS A 39 49.642 -22.445 26.942 1.00 0.00 C ATOM 589 CG LYS A 39 49.424 -22.268 28.467 1.00 0.00 C ATOM 590 CD LYS A 39 48.255 -21.319 28.820 1.00 0.00 C ATOM 591 CE LYS A 39 46.898 -21.842 28.330 1.00 0.00 C ATOM 592 NZ LYS A 39 45.774 -20.944 28.713 1.00 0.00 N ATOM 0 H LYS A 39 51.139 -24.923 28.063 1.00 0.00 H new ATOM 0 HA LYS A 39 50.612 -23.703 25.486 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.944 -21.488 26.518 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.691 -22.712 26.481 1.00 0.00 H new ATOM 0 HG2 LYS A 39 49.236 -23.244 28.914 1.00 0.00 H new ATOM 0 HG3 LYS A 39 50.341 -21.884 28.914 1.00 0.00 H new ATOM 0 HD2 LYS A 39 48.218 -21.181 29.901 1.00 0.00 H new ATOM 0 HD3 LYS A 39 48.442 -20.339 28.380 1.00 0.00 H new ATOM 0 HE2 LYS A 39 46.922 -21.948 27.245 1.00 0.00 H new ATOM 0 HE3 LYS A 39 46.723 -22.835 28.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 44.879 -21.339 28.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 45.732 -20.863 29.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 45.925 -20.003 28.298 1.00 0.00 H new ATOM 606 N VAL A 40 53.044 -23.113 25.851 1.00 0.00 N ATOM 607 CA VAL A 40 54.460 -22.677 25.999 1.00 0.00 C ATOM 608 C VAL A 40 54.985 -22.094 24.666 1.00 0.00 C ATOM 609 O VAL A 40 54.350 -22.254 23.610 1.00 0.00 O ATOM 610 CB VAL A 40 55.436 -23.859 26.463 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.860 -24.715 27.619 1.00 0.00 C ATOM 612 CG2 VAL A 40 55.881 -24.770 25.293 1.00 0.00 C ATOM 0 H VAL A 40 52.818 -23.465 24.921 1.00 0.00 H new ATOM 0 HA VAL A 40 54.463 -21.917 26.780 1.00 0.00 H new ATOM 0 HB VAL A 40 56.319 -23.346 26.844 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.572 -25.497 27.883 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.680 -24.080 28.487 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.922 -25.171 27.302 1.00 0.00 H new ATOM 0 HG21 VAL A 40 56.540 -25.551 25.671 1.00 0.00 H new ATOM 0 HG22 VAL A 40 55.004 -25.226 24.833 1.00 0.00 H new ATOM 0 HG23 VAL A 40 56.412 -24.175 24.550 1.00 0.00 H new ATOM 622 N ILE A 41 56.153 -21.430 24.730 1.00 0.00 N ATOM 623 CA ILE A 41 56.935 -21.058 23.538 1.00 0.00 C ATOM 624 C ILE A 41 57.925 -22.205 23.226 1.00 0.00 C ATOM 625 O ILE A 41 58.880 -22.441 23.978 1.00 0.00 O ATOM 626 CB ILE A 41 57.712 -19.700 23.729 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.714 -18.511 23.944 1.00 0.00 C ATOM 628 CG2 ILE A 41 58.660 -19.426 22.532 1.00 0.00 C ATOM 629 CD1 ILE A 41 57.360 -17.130 24.033 1.00 0.00 C ATOM 0 H ILE A 41 56.581 -21.137 25.608 1.00 0.00 H new ATOM 0 HA ILE A 41 56.247 -20.907 22.706 1.00 0.00 H new ATOM 0 HB ILE A 41 58.327 -19.787 24.625 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.996 -18.507 23.124 1.00 0.00 H new ATOM 0 HG13 ILE A 41 56.151 -18.691 24.860 1.00 0.00 H new ATOM 0 HG21 ILE A 41 59.183 -18.483 22.691 1.00 0.00 H new ATOM 0 HG22 ILE A 41 59.386 -20.235 22.451 1.00 0.00 H new ATOM 0 HG23 ILE A 41 58.078 -19.368 21.613 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.587 -16.376 24.182 1.00 0.00 H new ATOM 0 HD12 ILE A 41 58.056 -17.107 24.872 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.899 -16.920 23.109 1.00 0.00 H new ATOM 641 N ILE A 42 57.638 -22.939 22.145 1.00 0.00 N ATOM 642 CA ILE A 42 58.476 -24.029 21.630 1.00 0.00 C ATOM 643 C ILE A 42 59.784 -23.448 21.074 1.00 0.00 C ATOM 644 O ILE A 42 59.762 -22.449 20.362 1.00 0.00 O ATOM 645 CB ILE A 42 57.737 -24.848 20.479 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.529 -25.685 21.004 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.712 -25.777 19.703 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.411 -24.908 21.660 1.00 0.00 C ATOM 0 H ILE A 42 56.796 -22.788 21.590 1.00 0.00 H new ATOM 0 HA ILE A 42 58.681 -24.712 22.455 1.00 0.00 H new ATOM 0 HB ILE A 42 57.350 -24.091 19.797 1.00 0.00 H new ATOM 0 HG12 ILE A 42 56.111 -26.245 20.167 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.904 -26.415 21.721 1.00 0.00 H new ATOM 0 HG21 ILE A 42 58.164 -26.315 18.929 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.497 -25.177 19.242 1.00 0.00 H new ATOM 0 HG23 ILE A 42 59.160 -26.492 20.393 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.630 -25.597 21.983 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.800 -24.370 22.524 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.995 -24.197 20.947 1.00 0.00 H new ATOM 660 N ASP A 43 60.893 -24.098 21.418 1.00 0.00 N ATOM 661 CA ASP A 43 62.229 -23.794 20.898 1.00 0.00 C ATOM 662 C ASP A 43 62.725 -25.005 20.092 1.00 0.00 C ATOM 663 O ASP A 43 62.697 -26.145 20.596 1.00 0.00 O ATOM 664 CB ASP A 43 63.202 -23.476 22.065 1.00 0.00 C ATOM 665 CG ASP A 43 64.666 -23.320 21.599 1.00 0.00 C ATOM 666 OD1 ASP A 43 64.987 -22.310 20.932 1.00 0.00 O ATOM 667 OD2 ASP A 43 65.497 -24.215 21.881 1.00 0.00 O ATOM 0 H ASP A 43 60.890 -24.871 22.083 1.00 0.00 H new ATOM 0 HA ASP A 43 62.187 -22.917 20.252 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.883 -22.558 22.558 1.00 0.00 H new ATOM 0 HB3 ASP A 43 63.145 -24.273 22.807 1.00 0.00 H new ATOM 672 N HIS A 44 63.143 -24.750 18.837 1.00 0.00 N ATOM 673 CA HIS A 44 63.772 -25.755 17.961 1.00 0.00 C ATOM 674 C HIS A 44 64.438 -25.053 16.759 1.00 0.00 C ATOM 675 O HIS A 44 63.764 -24.300 16.043 1.00 0.00 O ATOM 676 CB HIS A 44 62.739 -26.804 17.459 1.00 0.00 C ATOM 677 CG HIS A 44 63.342 -27.882 16.592 1.00 0.00 C ATOM 678 ND1 HIS A 44 63.456 -27.766 15.226 1.00 0.00 N ATOM 679 CD2 HIS A 44 63.918 -29.067 16.911 1.00 0.00 C ATOM 680 CE1 HIS A 44 64.069 -28.824 14.744 1.00 0.00 C ATOM 681 NE2 HIS A 44 64.361 -29.632 15.743 1.00 0.00 N ATOM 0 H HIS A 44 63.052 -23.833 18.400 1.00 0.00 H new ATOM 0 HA HIS A 44 64.527 -26.284 18.542 1.00 0.00 H new ATOM 0 HB2 HIS A 44 62.259 -27.269 18.320 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.958 -26.292 16.896 1.00 0.00 H new ATOM 0 HD2 HIS A 44 64.011 -29.488 17.901 1.00 0.00 H new ATOM 0 HE1 HIS A 44 64.296 -29.001 13.703 1.00 0.00 H new ATOM 0 HE2 HIS A 44 64.838 -30.530 15.661 1.00 0.00 H new ATOM 690 N ASN A 45 65.766 -25.290 16.579 1.00 0.00 N ATOM 691 CA ASN A 45 66.557 -24.817 15.413 1.00 0.00 C ATOM 692 C ASN A 45 66.682 -23.265 15.425 1.00 0.00 C ATOM 693 O ASN A 45 66.878 -22.619 14.392 1.00 0.00 O ATOM 694 CB ASN A 45 65.926 -25.379 14.090 1.00 0.00 C ATOM 695 CG ASN A 45 66.718 -25.132 12.800 1.00 0.00 C ATOM 696 OD1 ASN A 45 66.140 -24.954 11.724 1.00 0.00 O ATOM 697 ND2 ASN A 45 68.036 -25.157 12.872 1.00 0.00 N ATOM 0 H ASN A 45 66.322 -25.821 17.249 1.00 0.00 H new ATOM 0 HA ASN A 45 67.576 -25.199 15.473 1.00 0.00 H new ATOM 0 HB2 ASN A 45 65.789 -26.454 14.206 1.00 0.00 H new ATOM 0 HB3 ASN A 45 64.934 -24.942 13.972 1.00 0.00 H new ATOM 0 HD21 ASN A 45 68.595 -25.028 12.029 1.00 0.00 H new ATOM 0 HD22 ASN A 45 68.495 -25.305 13.771 1.00 0.00 H new ATOM 704 N GLY A 46 66.603 -22.684 16.641 1.00 0.00 N ATOM 705 CA GLY A 46 66.621 -21.231 16.841 1.00 0.00 C ATOM 706 C GLY A 46 65.315 -20.554 16.435 1.00 0.00 C ATOM 707 O GLY A 46 65.277 -19.336 16.256 1.00 0.00 O ATOM 0 H GLY A 46 66.525 -23.215 17.508 1.00 0.00 H new ATOM 0 HA2 GLY A 46 66.823 -21.017 17.891 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.440 -20.801 16.265 1.00 0.00 H new ATOM 711 N GLN A 47 64.242 -21.361 16.285 1.00 0.00 N ATOM 712 CA GLN A 47 62.904 -20.890 15.877 1.00 0.00 C ATOM 713 C GLN A 47 61.920 -21.118 17.041 1.00 0.00 C ATOM 714 O GLN A 47 61.906 -22.199 17.652 1.00 0.00 O ATOM 715 CB GLN A 47 62.439 -21.642 14.598 1.00 0.00 C ATOM 716 CG GLN A 47 63.429 -21.563 13.411 1.00 0.00 C ATOM 717 CD GLN A 47 62.921 -22.208 12.111 1.00 0.00 C ATOM 718 OE1 GLN A 47 63.242 -21.750 11.008 1.00 0.00 O ATOM 719 NE2 GLN A 47 62.164 -23.292 12.219 1.00 0.00 N ATOM 0 H GLN A 47 64.283 -22.367 16.446 1.00 0.00 H new ATOM 0 HA GLN A 47 62.939 -19.826 15.643 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.274 -22.690 14.848 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.479 -21.235 14.281 1.00 0.00 H new ATOM 0 HG2 GLN A 47 63.659 -20.516 13.216 1.00 0.00 H new ATOM 0 HG3 GLN A 47 64.362 -22.046 13.700 1.00 0.00 H new ATOM 0 HE21 GLN A 47 61.914 -23.649 13.141 1.00 0.00 H new ATOM 0 HE22 GLN A 47 61.832 -23.768 11.380 1.00 0.00 H new ATOM 728 N GLU A 48 61.115 -20.086 17.335 1.00 0.00 N ATOM 729 CA GLU A 48 60.196 -20.056 18.488 1.00 0.00 C ATOM 730 C GLU A 48 58.729 -19.973 18.010 1.00 0.00 C ATOM 731 O GLU A 48 58.403 -19.181 17.108 1.00 0.00 O ATOM 732 CB GLU A 48 60.564 -18.852 19.392 1.00 0.00 C ATOM 733 CG GLU A 48 60.546 -17.485 18.676 1.00 0.00 C ATOM 734 CD GLU A 48 61.001 -16.338 19.583 1.00 0.00 C ATOM 735 OE1 GLU A 48 62.219 -16.052 19.638 1.00 0.00 O ATOM 736 OE2 GLU A 48 60.151 -15.723 20.263 1.00 0.00 O ATOM 0 H GLU A 48 61.082 -19.236 16.772 1.00 0.00 H new ATOM 0 HA GLU A 48 60.297 -20.976 19.064 1.00 0.00 H new ATOM 0 HB2 GLU A 48 59.869 -18.818 20.231 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.558 -19.017 19.808 1.00 0.00 H new ATOM 0 HG2 GLU A 48 61.194 -17.529 17.800 1.00 0.00 H new ATOM 0 HG3 GLU A 48 59.537 -17.281 18.317 1.00 0.00 H new ATOM 743 N TYR A 49 57.846 -20.815 18.591 1.00 0.00 N ATOM 744 CA TYR A 49 56.403 -20.856 18.223 1.00 0.00 C ATOM 745 C TYR A 49 55.555 -21.051 19.493 1.00 0.00 C ATOM 746 O TYR A 49 55.773 -22.006 20.225 1.00 0.00 O ATOM 747 CB TYR A 49 56.081 -22.011 17.200 1.00 0.00 C ATOM 748 CG TYR A 49 57.280 -22.594 16.424 1.00 0.00 C ATOM 749 CD1 TYR A 49 57.695 -22.071 15.198 1.00 0.00 C ATOM 750 CD2 TYR A 49 57.963 -23.706 16.909 1.00 0.00 C ATOM 751 CE1 TYR A 49 58.756 -22.621 14.506 1.00 0.00 C ATOM 752 CE2 TYR A 49 59.028 -24.255 16.228 1.00 0.00 C ATOM 753 CZ TYR A 49 59.410 -23.723 15.018 1.00 0.00 C ATOM 754 OH TYR A 49 60.463 -24.272 14.329 1.00 0.00 O ATOM 0 H TYR A 49 58.104 -21.480 19.320 1.00 0.00 H new ATOM 0 HA TYR A 49 56.160 -19.909 17.741 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.598 -22.823 17.743 1.00 0.00 H new ATOM 0 HB3 TYR A 49 55.357 -21.635 16.477 1.00 0.00 H new ATOM 0 HD1 TYR A 49 57.176 -21.220 14.783 1.00 0.00 H new ATOM 0 HD2 TYR A 49 57.650 -24.150 17.843 1.00 0.00 H new ATOM 0 HE1 TYR A 49 59.073 -22.190 13.568 1.00 0.00 H new ATOM 0 HE2 TYR A 49 59.560 -25.099 16.642 1.00 0.00 H new ATOM 0 HH TYR A 49 60.814 -25.041 14.826 1.00 0.00 H new ATOM 764 N LEU A 50 54.585 -20.156 19.737 1.00 0.00 N ATOM 765 CA LEU A 50 53.658 -20.261 20.884 1.00 0.00 C ATOM 766 C LEU A 50 52.553 -21.289 20.535 1.00 0.00 C ATOM 767 O LEU A 50 51.686 -21.016 19.710 1.00 0.00 O ATOM 768 CB LEU A 50 53.076 -18.836 21.208 1.00 0.00 C ATOM 769 CG LEU A 50 52.227 -18.633 22.532 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.789 -19.189 22.432 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.953 -19.217 23.767 1.00 0.00 C ATOM 0 H LEU A 50 54.418 -19.340 19.149 1.00 0.00 H new ATOM 0 HA LEU A 50 54.171 -20.613 21.779 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.914 -18.139 21.245 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.450 -18.538 20.367 1.00 0.00 H new ATOM 0 HG LEU A 50 52.135 -17.554 22.658 1.00 0.00 H new ATOM 0 HD11 LEU A 50 50.266 -19.016 23.372 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.259 -18.685 21.624 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.826 -20.259 22.229 1.00 0.00 H new ATOM 0 HD21 LEU A 50 52.342 -19.060 24.656 1.00 0.00 H new ATOM 0 HD22 LEU A 50 53.115 -20.285 23.622 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.914 -18.718 23.894 1.00 0.00 H new ATOM 783 N LEU A 51 52.619 -22.489 21.135 1.00 0.00 N ATOM 784 CA LEU A 51 51.555 -23.514 21.001 1.00 0.00 C ATOM 785 C LEU A 51 50.718 -23.490 22.277 1.00 0.00 C ATOM 786 O LEU A 51 51.273 -23.489 23.385 1.00 0.00 O ATOM 787 CB LEU A 51 52.141 -24.932 20.771 1.00 0.00 C ATOM 788 CG LEU A 51 51.123 -26.115 20.600 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.200 -25.910 19.379 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.865 -27.476 20.509 1.00 0.00 C ATOM 0 H LEU A 51 53.401 -22.780 21.722 1.00 0.00 H new ATOM 0 HA LEU A 51 50.943 -23.282 20.129 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.769 -24.897 19.881 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.793 -25.168 21.612 1.00 0.00 H new ATOM 0 HG LEU A 51 50.490 -26.127 21.487 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.512 -26.751 19.298 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.633 -24.988 19.503 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.803 -25.846 18.473 1.00 0.00 H new ATOM 0 HD21 LEU A 51 51.138 -28.280 20.391 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.538 -27.467 19.652 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.440 -27.638 21.420 1.00 0.00 H new ATOM 802 N ARG A 52 49.390 -23.446 22.108 1.00 0.00 N ATOM 803 CA ARG A 52 48.437 -23.329 23.217 1.00 0.00 C ATOM 804 C ARG A 52 47.233 -24.254 22.985 1.00 0.00 C ATOM 805 O ARG A 52 46.768 -24.413 21.849 1.00 0.00 O ATOM 806 CB ARG A 52 47.991 -21.844 23.344 1.00 0.00 C ATOM 807 CG ARG A 52 47.330 -21.271 22.073 1.00 0.00 C ATOM 808 CD ARG A 52 47.161 -19.746 22.092 1.00 0.00 C ATOM 809 NE ARG A 52 46.153 -19.285 23.060 1.00 0.00 N ATOM 810 CZ ARG A 52 45.824 -17.996 23.291 1.00 0.00 C ATOM 811 NH1 ARG A 52 46.415 -17.001 22.632 1.00 0.00 N ATOM 812 NH2 ARG A 52 44.884 -17.705 24.177 1.00 0.00 N ATOM 0 H ARG A 52 48.945 -23.491 21.191 1.00 0.00 H new ATOM 0 HA ARG A 52 48.912 -23.637 24.149 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.291 -21.756 24.175 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.860 -21.235 23.594 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.930 -21.549 21.207 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.351 -21.733 21.945 1.00 0.00 H new ATOM 0 HD2 ARG A 52 48.120 -19.284 22.328 1.00 0.00 H new ATOM 0 HD3 ARG A 52 46.880 -19.406 21.095 1.00 0.00 H new ATOM 0 HE ARG A 52 45.663 -19.998 23.601 1.00 0.00 H new ATOM 0 HH11 ARG A 52 47.132 -17.205 21.936 1.00 0.00 H new ATOM 0 HH12 ARG A 52 46.150 -16.035 22.823 1.00 0.00 H new ATOM 0 HH21 ARG A 52 44.411 -18.454 24.683 1.00 0.00 H new ATOM 0 HH22 ARG A 52 44.633 -16.732 24.354 1.00 0.00 H new ATOM 826 N LYS A 53 46.760 -24.890 24.065 1.00 0.00 N ATOM 827 CA LYS A 53 45.536 -25.702 24.053 1.00 0.00 C ATOM 828 C LYS A 53 44.336 -24.776 24.264 1.00 0.00 C ATOM 829 O LYS A 53 44.194 -24.167 25.328 1.00 0.00 O ATOM 830 CB LYS A 53 45.597 -26.815 25.141 1.00 0.00 C ATOM 831 CG LYS A 53 46.713 -27.861 24.911 1.00 0.00 C ATOM 832 CD LYS A 53 46.827 -28.890 26.054 1.00 0.00 C ATOM 833 CE LYS A 53 45.594 -29.789 26.182 1.00 0.00 C ATOM 834 NZ LYS A 53 45.746 -30.760 27.297 1.00 0.00 N ATOM 0 H LYS A 53 47.218 -24.856 24.976 1.00 0.00 H new ATOM 0 HA LYS A 53 45.436 -26.206 23.092 1.00 0.00 H new ATOM 0 HB2 LYS A 53 45.746 -26.349 26.115 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.635 -27.327 25.176 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.522 -28.387 23.975 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.667 -27.346 24.798 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.706 -29.512 25.888 1.00 0.00 H new ATOM 0 HD3 LYS A 53 46.983 -28.362 26.995 1.00 0.00 H new ATOM 0 HE2 LYS A 53 44.709 -29.175 26.350 1.00 0.00 H new ATOM 0 HE3 LYS A 53 45.435 -30.327 25.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 44.895 -31.354 27.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 46.577 -31.361 27.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 45.873 -30.245 28.191 1.00 0.00 H new ATOM 848 N THR A 54 43.511 -24.633 23.220 1.00 0.00 N ATOM 849 CA THR A 54 42.332 -23.768 23.258 1.00 0.00 C ATOM 850 C THR A 54 41.239 -24.443 24.098 1.00 0.00 C ATOM 851 O THR A 54 41.139 -25.691 24.099 1.00 0.00 O ATOM 852 CB THR A 54 41.795 -23.455 21.823 1.00 0.00 C ATOM 853 OG1 THR A 54 41.054 -24.558 21.293 1.00 0.00 O ATOM 854 CG2 THR A 54 42.926 -23.105 20.852 1.00 0.00 C ATOM 0 H THR A 54 43.643 -25.113 22.330 1.00 0.00 H new ATOM 0 HA THR A 54 42.617 -22.818 23.711 1.00 0.00 H new ATOM 0 HB THR A 54 41.139 -22.591 21.924 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.474 -24.244 20.568 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.508 -22.895 19.867 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.459 -22.226 21.215 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.617 -23.945 20.781 1.00 0.00 H new ATOM 862 N GLN A 55 40.420 -23.618 24.778 1.00 0.00 N ATOM 863 CA GLN A 55 39.353 -24.090 25.695 1.00 0.00 C ATOM 864 C GLN A 55 38.193 -24.791 24.950 1.00 0.00 C ATOM 865 O GLN A 55 37.323 -25.396 25.590 1.00 0.00 O ATOM 866 CB GLN A 55 38.832 -22.904 26.548 1.00 0.00 C ATOM 867 CG GLN A 55 38.204 -21.761 25.724 1.00 0.00 C ATOM 868 CD GLN A 55 37.927 -20.512 26.557 1.00 0.00 C ATOM 869 OE1 GLN A 55 36.837 -20.341 27.102 1.00 0.00 O ATOM 870 NE2 GLN A 55 38.919 -19.639 26.684 1.00 0.00 N ATOM 0 H GLN A 55 40.476 -22.602 24.710 1.00 0.00 H new ATOM 0 HA GLN A 55 39.791 -24.842 26.351 1.00 0.00 H new ATOM 0 HB2 GLN A 55 38.091 -23.277 27.255 1.00 0.00 H new ATOM 0 HB3 GLN A 55 39.658 -22.502 27.135 1.00 0.00 H new ATOM 0 HG2 GLN A 55 38.872 -21.503 24.902 1.00 0.00 H new ATOM 0 HG3 GLN A 55 37.272 -22.110 25.280 1.00 0.00 H new ATOM 0 HE21 GLN A 55 39.811 -19.809 26.220 1.00 0.00 H new ATOM 0 HE22 GLN A 55 38.789 -18.798 27.246 1.00 0.00 H new ATOM 879 N ALA A 56 38.201 -24.727 23.596 1.00 0.00 N ATOM 880 CA ALA A 56 37.298 -25.520 22.734 1.00 0.00 C ATOM 881 C ALA A 56 37.752 -27.001 22.645 1.00 0.00 C ATOM 882 O ALA A 56 37.069 -27.832 22.020 1.00 0.00 O ATOM 883 CB ALA A 56 37.232 -24.892 21.333 1.00 0.00 C ATOM 0 H ALA A 56 38.835 -24.123 23.073 1.00 0.00 H new ATOM 0 HA ALA A 56 36.304 -25.509 23.180 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.566 -25.480 20.702 1.00 0.00 H new ATOM 0 HB2 ALA A 56 36.854 -23.872 21.409 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.229 -24.878 20.893 1.00 0.00 H new ATOM 889 N GLY A 57 38.907 -27.313 23.277 1.00 0.00 N ATOM 890 CA GLY A 57 39.479 -28.661 23.290 1.00 0.00 C ATOM 891 C GLY A 57 40.362 -28.918 22.085 1.00 0.00 C ATOM 892 O GLY A 57 40.362 -30.017 21.531 1.00 0.00 O ATOM 0 H GLY A 57 39.463 -26.629 23.791 1.00 0.00 H new ATOM 0 HA2 GLY A 57 40.061 -28.798 24.201 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.674 -29.396 23.312 1.00 0.00 H new ATOM 896 N LYS A 58 41.134 -27.887 21.688 1.00 0.00 N ATOM 897 CA LYS A 58 41.966 -27.920 20.450 1.00 0.00 C ATOM 898 C LYS A 58 43.403 -27.460 20.749 1.00 0.00 C ATOM 899 O LYS A 58 43.748 -27.179 21.897 1.00 0.00 O ATOM 900 CB LYS A 58 41.328 -26.993 19.370 1.00 0.00 C ATOM 901 CG LYS A 58 39.920 -27.419 18.867 1.00 0.00 C ATOM 902 CD LYS A 58 39.120 -26.257 18.221 1.00 0.00 C ATOM 903 CE LYS A 58 39.861 -25.551 17.072 1.00 0.00 C ATOM 904 NZ LYS A 58 40.120 -26.456 15.920 1.00 0.00 N ATOM 0 H LYS A 58 41.204 -27.011 22.206 1.00 0.00 H new ATOM 0 HA LYS A 58 42.002 -28.944 20.079 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.259 -25.984 19.777 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.001 -26.946 18.514 1.00 0.00 H new ATOM 0 HG2 LYS A 58 40.030 -28.223 18.140 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.350 -27.822 19.704 1.00 0.00 H new ATOM 0 HD2 LYS A 58 38.174 -26.646 17.845 1.00 0.00 H new ATOM 0 HD3 LYS A 58 38.880 -25.523 18.990 1.00 0.00 H new ATOM 0 HE2 LYS A 58 39.273 -24.698 16.734 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.808 -25.159 17.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 40.621 -25.933 15.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 40.704 -27.258 16.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 39.216 -26.811 15.547 1.00 0.00 H new ATOM 918 N LEU A 59 44.226 -27.424 19.687 1.00 0.00 N ATOM 919 CA LEU A 59 45.573 -26.804 19.690 1.00 0.00 C ATOM 920 C LEU A 59 45.558 -25.544 18.804 1.00 0.00 C ATOM 921 O LEU A 59 44.724 -25.425 17.896 1.00 0.00 O ATOM 922 CB LEU A 59 46.655 -27.806 19.180 1.00 0.00 C ATOM 923 CG LEU A 59 47.094 -28.919 20.183 1.00 0.00 C ATOM 924 CD1 LEU A 59 48.095 -29.906 19.534 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.690 -28.296 21.466 1.00 0.00 C ATOM 0 H LEU A 59 43.975 -27.830 18.785 1.00 0.00 H new ATOM 0 HA LEU A 59 45.827 -26.530 20.714 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.277 -28.288 18.278 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.539 -27.237 18.891 1.00 0.00 H new ATOM 0 HG LEU A 59 46.204 -29.486 20.457 1.00 0.00 H new ATOM 0 HD11 LEU A 59 48.379 -30.667 20.261 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.628 -30.383 18.672 1.00 0.00 H new ATOM 0 HD13 LEU A 59 48.984 -29.363 19.211 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.989 -29.090 22.151 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.560 -27.693 21.207 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.941 -27.666 21.946 1.00 0.00 H new ATOM 937 N LEU A 60 46.488 -24.616 19.066 1.00 0.00 N ATOM 938 CA LEU A 60 46.653 -23.408 18.261 1.00 0.00 C ATOM 939 C LEU A 60 48.150 -23.070 18.201 1.00 0.00 C ATOM 940 O LEU A 60 48.730 -22.611 19.198 1.00 0.00 O ATOM 941 CB LEU A 60 45.839 -22.239 18.868 1.00 0.00 C ATOM 942 CG LEU A 60 45.562 -21.041 17.916 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.621 -21.460 16.765 1.00 0.00 C ATOM 944 CD2 LEU A 60 45.002 -19.833 18.692 1.00 0.00 C ATOM 0 H LEU A 60 47.145 -24.686 19.843 1.00 0.00 H new ATOM 0 HA LEU A 60 46.278 -23.574 17.251 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.883 -22.630 19.217 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.371 -21.867 19.744 1.00 0.00 H new ATOM 0 HG LEU A 60 46.510 -20.733 17.474 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.442 -20.606 16.112 1.00 0.00 H new ATOM 0 HD12 LEU A 60 45.083 -22.264 16.192 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.673 -21.806 17.178 1.00 0.00 H new ATOM 0 HD21 LEU A 60 44.818 -19.010 18.001 1.00 0.00 H new ATOM 0 HD22 LEU A 60 44.068 -20.114 19.178 1.00 0.00 H new ATOM 0 HD23 LEU A 60 45.724 -19.519 19.446 1.00 0.00 H new ATOM 956 N LEU A 61 48.786 -23.410 17.069 1.00 0.00 N ATOM 957 CA LEU A 61 50.183 -23.056 16.798 1.00 0.00 C ATOM 958 C LEU A 61 50.183 -21.633 16.217 1.00 0.00 C ATOM 959 O LEU A 61 49.607 -21.382 15.151 1.00 0.00 O ATOM 960 CB LEU A 61 50.834 -24.091 15.817 1.00 0.00 C ATOM 961 CG LEU A 61 52.413 -24.149 15.738 1.00 0.00 C ATOM 962 CD1 LEU A 61 53.043 -22.899 15.071 1.00 0.00 C ATOM 963 CD2 LEU A 61 53.029 -24.401 17.139 1.00 0.00 C ATOM 0 H LEU A 61 48.344 -23.938 16.317 1.00 0.00 H new ATOM 0 HA LEU A 61 50.781 -23.083 17.709 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.477 -25.083 16.093 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.457 -23.884 14.815 1.00 0.00 H new ATOM 0 HG LEU A 61 52.654 -24.992 15.090 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.128 -23.005 15.050 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.668 -22.802 14.052 1.00 0.00 H new ATOM 0 HD13 LEU A 61 52.777 -22.009 15.641 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.115 -24.437 17.058 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.742 -23.594 17.813 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.663 -25.350 17.532 1.00 0.00 H new ATOM 975 N THR A 62 50.773 -20.713 16.967 1.00 0.00 N ATOM 976 CA THR A 62 50.932 -19.309 16.585 1.00 0.00 C ATOM 977 C THR A 62 52.417 -18.934 16.707 1.00 0.00 C ATOM 978 O THR A 62 53.151 -19.576 17.460 1.00 0.00 O ATOM 979 CB THR A 62 50.062 -18.389 17.510 1.00 0.00 C ATOM 980 OG1 THR A 62 50.376 -18.605 18.903 1.00 0.00 O ATOM 981 CG2 THR A 62 48.552 -18.614 17.308 1.00 0.00 C ATOM 0 H THR A 62 51.167 -20.924 17.884 1.00 0.00 H new ATOM 0 HA THR A 62 50.597 -19.167 15.557 1.00 0.00 H new ATOM 0 HB THR A 62 50.304 -17.364 17.227 1.00 0.00 H new ATOM 0 HG1 THR A 62 50.861 -19.451 19.002 1.00 0.00 H new ATOM 0 HG21 THR A 62 47.994 -17.953 17.971 1.00 0.00 H new ATOM 0 HG22 THR A 62 48.287 -18.397 16.273 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.305 -19.651 17.536 1.00 0.00 H new ATOM 989 N LYS A 63 52.863 -17.921 15.949 1.00 0.00 N ATOM 990 CA LYS A 63 54.263 -17.454 15.996 1.00 0.00 C ATOM 991 C LYS A 63 54.400 -16.351 17.074 1.00 0.00 C ATOM 992 O LYS A 63 54.011 -15.194 16.807 1.00 0.00 O ATOM 993 CB LYS A 63 54.706 -16.961 14.587 1.00 0.00 C ATOM 994 CG LYS A 63 54.667 -18.047 13.481 1.00 0.00 C ATOM 995 CD LYS A 63 55.552 -19.272 13.823 1.00 0.00 C ATOM 996 CE LYS A 63 55.607 -20.309 12.690 1.00 0.00 C ATOM 997 NZ LYS A 63 54.276 -20.869 12.361 1.00 0.00 N ATOM 998 OXT LYS A 63 54.840 -16.653 18.202 1.00 0.00 O ATOM 0 H LYS A 63 52.275 -17.406 15.293 1.00 0.00 H new ATOM 0 HA LYS A 63 54.925 -18.274 16.273 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.063 -16.133 14.288 1.00 0.00 H new ATOM 0 HB3 LYS A 63 55.720 -16.568 14.656 1.00 0.00 H new ATOM 0 HG2 LYS A 63 53.638 -18.375 13.335 1.00 0.00 H new ATOM 0 HG3 LYS A 63 55.000 -17.613 12.538 1.00 0.00 H new ATOM 0 HD2 LYS A 63 56.563 -18.932 14.046 1.00 0.00 H new ATOM 0 HD3 LYS A 63 55.170 -19.748 14.726 1.00 0.00 H new ATOM 0 HE2 LYS A 63 56.032 -19.846 11.799 1.00 0.00 H new ATOM 0 HE3 LYS A 63 56.277 -21.120 12.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 54.394 -21.764 11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 53.746 -21.044 13.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 53.752 -20.193 11.769 1.00 0.00 H new