USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 254 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 Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 19 ASN : amide:sc= -2.25! K(o=-2.3!,f=-1) USER MOD Single : A 20 SER OG : rot 78:sc= 0.598 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.022) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0155) USER MOD Single : A 56 MET CE :methyl 157:sc= -0.166 (180deg=-0.758) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.752 -0.336 3.704 1.00 20.00 N ATOM 365 CA GLU A 16 -31.531 -1.240 2.573 1.00 20.00 C ATOM 366 C GLU A 16 -30.049 -1.396 2.265 1.00 20.00 C ATOM 367 O GLU A 16 -29.618 -2.427 1.758 1.00 20.00 O ATOM 368 CB GLU A 16 -32.260 -0.731 1.330 1.00 20.00 C ATOM 369 CG GLU A 16 -33.765 -0.630 1.503 1.00 20.00 C ATOM 370 CD GLU A 16 -34.467 -0.219 0.231 1.00 20.00 C ATOM 371 OE1 GLU A 16 -34.424 0.984 -0.114 1.00 20.00 O ATOM 372 OE2 GLU A 16 -35.060 -1.095 -0.433 1.00 20.00 O ATOM 0 HA GLU A 16 -31.929 -2.215 2.853 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.867 0.251 1.066 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.043 -1.397 0.495 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -34.155 -1.592 1.835 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -33.990 0.092 2.288 1.00 20.00 H new ATOM 379 N GLN A 17 -29.279 -0.366 2.587 1.00 20.00 N ATOM 380 CA GLN A 17 -27.837 -0.384 2.372 1.00 20.00 C ATOM 381 C GLN A 17 -27.148 -1.333 3.357 1.00 20.00 C ATOM 382 O GLN A 17 -25.970 -1.651 3.205 1.00 20.00 O ATOM 383 CB GLN A 17 -27.254 1.030 2.496 1.00 20.00 C ATOM 384 CG GLN A 17 -27.804 2.010 1.465 1.00 20.00 C ATOM 385 CD GLN A 17 -27.230 3.407 1.619 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.870 3.824 2.717 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.148 4.147 0.521 1.00 20.00 N ATOM 0 H GLN A 17 -29.630 0.498 3.000 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.652 -0.748 1.361 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -27.461 1.413 3.495 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.170 0.977 2.393 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -27.583 1.639 0.464 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -28.889 2.056 1.556 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -27.457 3.767 -0.374 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -26.776 5.096 0.572 1.00 20.00 H new ATOM 396 N GLU A 18 -27.882 -1.768 4.373 1.00 20.00 N ATOM 397 CA GLU A 18 -27.352 -2.705 5.353 1.00 20.00 C ATOM 398 C GLU A 18 -27.626 -4.141 4.917 1.00 20.00 C ATOM 399 O GLU A 18 -26.722 -4.981 4.904 1.00 20.00 O ATOM 400 CB GLU A 18 -27.973 -2.454 6.731 1.00 20.00 C ATOM 401 CG GLU A 18 -27.803 -1.030 7.238 1.00 20.00 C ATOM 402 CD GLU A 18 -28.543 -0.788 8.536 1.00 20.00 C ATOM 403 OE1 GLU A 18 -29.769 -1.018 8.580 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.901 -0.360 9.520 1.00 20.00 O ATOM 0 H GLU A 18 -28.848 -1.486 4.539 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.275 -2.553 5.421 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -29.037 -2.688 6.687 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.525 -3.140 7.450 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.743 -0.823 7.383 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -28.163 -0.332 6.482 1.00 20.00 H new ATOM 411 N ASN A 19 -28.873 -4.414 4.538 1.00 20.00 N ATOM 412 CA ASN A 19 -29.279 -5.770 4.177 1.00 20.00 C ATOM 413 C ASN A 19 -28.778 -6.169 2.792 1.00 20.00 C ATOM 414 O ASN A 19 -28.773 -7.352 2.448 1.00 20.00 O ATOM 415 CB ASN A 19 -30.800 -5.960 4.263 1.00 20.00 C ATOM 416 CG ASN A 19 -31.592 -4.821 3.655 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.822 -4.779 2.449 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.049 -3.908 4.499 1.00 20.00 N ATOM 0 H ASN A 19 -29.616 -3.718 4.473 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.813 -6.428 4.910 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.070 -6.888 3.759 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.085 -6.071 5.309 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.615 -3.133 4.154 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.835 -3.980 5.494 1.00 20.00 H new ATOM 425 N SER A 20 -28.356 -5.194 2.001 1.00 20.00 N ATOM 426 CA SER A 20 -27.795 -5.481 0.688 1.00 20.00 C ATOM 427 C SER A 20 -26.493 -6.267 0.829 1.00 20.00 C ATOM 428 O SER A 20 -26.296 -7.291 0.174 1.00 20.00 O ATOM 429 CB SER A 20 -27.561 -4.178 -0.079 1.00 20.00 C ATOM 430 OG SER A 20 -26.870 -3.236 0.722 1.00 20.00 O ATOM 0 H SER A 20 -28.390 -4.204 2.242 1.00 20.00 H new ATOM 0 HA SER A 20 -28.503 -6.090 0.126 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.988 -4.382 -0.983 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.517 -3.761 -0.395 1.00 20.00 H new ATOM 0 HG SER A 20 -25.919 -3.469 0.754 1.00 20.00 H new ATOM 436 N TYR A 21 -25.623 -5.800 1.713 1.00 20.00 N ATOM 437 CA TYR A 21 -24.351 -6.466 1.964 1.00 20.00 C ATOM 438 C TYR A 21 -24.537 -7.648 2.909 1.00 20.00 C ATOM 439 O TYR A 21 -23.725 -8.577 2.937 1.00 20.00 O ATOM 440 CB TYR A 21 -23.336 -5.470 2.531 1.00 20.00 C ATOM 441 CG TYR A 21 -23.009 -4.350 1.568 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.981 -4.485 0.641 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.737 -3.167 1.571 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.690 -3.471 -0.250 1.00 20.00 C ATOM 445 CE2 TYR A 21 -23.453 -2.152 0.678 1.00 20.00 C ATOM 446 CZ TYR A 21 -22.429 -2.308 -0.229 1.00 20.00 C ATOM 447 OH TYR A 21 -22.149 -1.300 -1.124 1.00 20.00 O ATOM 0 H TYR A 21 -25.775 -4.960 2.271 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.968 -6.850 1.019 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.729 -5.045 3.455 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.419 -6.000 2.789 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.402 -5.396 0.618 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.538 -3.039 2.283 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.886 -3.589 -0.961 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -24.032 -1.240 0.691 1.00 20.00 H new ATOM 0 HH TYR A 21 -22.763 -0.551 -0.975 1.00 20.00 H new ATOM 457 N ASN A 22 -25.621 -7.614 3.675 1.00 20.00 N ATOM 458 CA ASN A 22 -25.972 -8.714 4.571 1.00 20.00 C ATOM 459 C ASN A 22 -26.420 -9.929 3.764 1.00 20.00 C ATOM 460 O ASN A 22 -26.343 -11.064 4.228 1.00 20.00 O ATOM 461 CB ASN A 22 -27.086 -8.283 5.528 1.00 20.00 C ATOM 462 CG ASN A 22 -27.506 -9.379 6.493 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.420 -10.151 6.209 1.00 20.00 O ATOM 464 ND2 ASN A 22 -26.852 -9.446 7.641 1.00 20.00 N ATOM 0 H ASN A 22 -26.277 -6.833 3.695 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.091 -8.982 5.154 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -26.751 -7.416 6.097 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -27.953 -7.968 4.947 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -27.100 -10.157 8.329 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -26.099 -8.786 7.838 1.00 20.00 H new ATOM 471 N GLU A 23 -26.869 -9.676 2.541 1.00 20.00 N ATOM 472 CA GLU A 23 -27.327 -10.733 1.653 1.00 20.00 C ATOM 473 C GLU A 23 -26.188 -11.706 1.344 1.00 20.00 C ATOM 474 O GLU A 23 -26.408 -12.909 1.181 1.00 20.00 O ATOM 475 CB GLU A 23 -27.880 -10.129 0.362 1.00 20.00 C ATOM 476 CG GLU A 23 -28.533 -11.140 -0.562 1.00 20.00 C ATOM 477 CD GLU A 23 -29.207 -10.480 -1.743 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.338 -9.979 -1.578 1.00 20.00 O ATOM 479 OE2 GLU A 23 -28.606 -10.445 -2.835 1.00 20.00 O ATOM 0 H GLU A 23 -26.925 -8.740 2.141 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.123 -11.287 2.150 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.610 -9.360 0.616 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.069 -9.635 -0.172 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -27.780 -11.842 -0.921 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.268 -11.719 -0.003 1.00 20.00 H new ATOM 486 N TRP A 24 -24.970 -11.180 1.281 1.00 20.00 N ATOM 487 CA TRP A 24 -23.795 -12.012 1.079 1.00 20.00 C ATOM 488 C TRP A 24 -23.524 -12.835 2.337 1.00 20.00 C ATOM 489 O TRP A 24 -23.132 -13.999 2.261 1.00 20.00 O ATOM 490 CB TRP A 24 -22.575 -11.154 0.726 1.00 20.00 C ATOM 491 CG TRP A 24 -21.348 -11.963 0.429 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.018 -12.538 -0.764 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.291 -12.290 1.341 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.824 -13.205 -0.649 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.356 -13.068 0.632 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.045 -12.003 2.688 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.197 -13.561 1.224 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -18.895 -12.492 3.273 1.00 20.00 C ATOM 499 CH2 TRP A 24 -17.982 -13.264 2.542 1.00 20.00 C ATOM 0 H TRP A 24 -24.773 -10.183 1.367 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.983 -12.688 0.245 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.812 -10.535 -0.140 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.364 -10.477 1.554 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.609 -12.477 -1.666 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.359 -13.720 -1.397 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -20.743 -11.409 3.260 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.492 -14.157 0.663 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -18.695 -12.276 4.312 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.091 -13.632 3.029 1.00 20.00 H new ATOM 510 N LEU A 25 -23.764 -12.226 3.493 1.00 20.00 N ATOM 511 CA LEU A 25 -23.592 -12.903 4.771 1.00 20.00 C ATOM 512 C LEU A 25 -24.565 -14.076 4.875 1.00 20.00 C ATOM 513 O LEU A 25 -24.229 -15.139 5.404 1.00 20.00 O ATOM 514 CB LEU A 25 -23.821 -11.922 5.925 1.00 20.00 C ATOM 515 CG LEU A 25 -23.648 -12.506 7.327 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.196 -12.891 7.578 1.00 20.00 C ATOM 517 CD2 LEU A 25 -24.133 -11.519 8.375 1.00 20.00 C ATOM 0 H LEU A 25 -24.080 -11.259 3.570 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.572 -13.283 4.834 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.131 -11.086 5.811 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.830 -11.517 5.840 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.253 -13.410 7.400 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.097 -13.304 8.582 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.886 -13.637 6.846 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.564 -12.008 7.486 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -24.003 -11.950 9.368 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.556 -10.597 8.301 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -25.188 -11.301 8.209 1.00 20.00 H new ATOM 529 N ARG A 26 -25.768 -13.868 4.349 1.00 20.00 N ATOM 530 CA ARG A 26 -26.781 -14.914 4.286 1.00 20.00 C ATOM 531 C ARG A 26 -26.297 -16.073 3.416 1.00 20.00 C ATOM 532 O ARG A 26 -26.516 -17.239 3.736 1.00 20.00 O ATOM 533 CB ARG A 26 -28.093 -14.347 3.727 1.00 20.00 C ATOM 534 CG ARG A 26 -29.175 -15.395 3.504 1.00 20.00 C ATOM 535 CD ARG A 26 -30.414 -14.795 2.855 1.00 20.00 C ATOM 536 NE ARG A 26 -31.419 -15.812 2.546 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.980 -15.975 1.346 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.601 -15.221 0.319 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.906 -16.908 1.168 1.00 20.00 N ATOM 0 H ARG A 26 -26.066 -12.975 3.957 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.959 -15.286 5.295 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.471 -13.589 4.413 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.887 -13.846 2.781 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.784 -16.193 2.873 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.446 -15.847 4.458 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.847 -14.049 3.521 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.129 -14.277 1.939 1.00 20.00 H new ATOM 0 HE ARG A 26 -31.710 -16.438 3.297 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.878 -14.513 0.446 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.033 -15.350 -0.596 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -33.189 -17.501 1.948 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.335 -17.033 0.251 1.00 20.00 H new ATOM 553 N ALA A 27 -25.621 -15.740 2.324 1.00 20.00 N ATOM 554 CA ALA A 27 -25.099 -16.748 1.411 1.00 20.00 C ATOM 555 C ALA A 27 -23.926 -17.492 2.037 1.00 20.00 C ATOM 556 O ALA A 27 -23.739 -18.686 1.810 1.00 20.00 O ATOM 557 CB ALA A 27 -24.677 -16.107 0.099 1.00 20.00 C ATOM 0 H ALA A 27 -25.421 -14.778 2.049 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.892 -17.468 1.210 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.289 -16.873 -0.572 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.537 -15.622 -0.362 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.901 -15.365 0.289 1.00 20.00 H new ATOM 563 N LYS A 28 -23.145 -16.773 2.828 1.00 20.00 N ATOM 564 CA LYS A 28 -21.987 -17.350 3.495 1.00 20.00 C ATOM 565 C LYS A 28 -22.407 -18.417 4.503 1.00 20.00 C ATOM 566 O LYS A 28 -21.835 -19.507 4.538 1.00 20.00 O ATOM 567 CB LYS A 28 -21.170 -16.257 4.193 1.00 20.00 C ATOM 568 CG LYS A 28 -19.975 -16.789 4.967 1.00 20.00 C ATOM 569 CD LYS A 28 -19.197 -15.665 5.628 1.00 20.00 C ATOM 570 CE LYS A 28 -18.053 -16.204 6.475 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.286 -15.117 7.134 1.00 20.00 N ATOM 0 H LYS A 28 -23.293 -15.783 3.025 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.366 -17.824 2.735 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.820 -15.544 3.446 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.820 -15.710 4.876 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.316 -17.493 5.726 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.319 -17.340 4.293 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.802 -14.996 4.864 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.867 -15.075 6.253 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.451 -16.878 7.234 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.383 -16.791 5.847 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.517 -15.529 7.700 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.884 -14.488 6.410 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.919 -14.572 7.754 1.00 20.00 H new ATOM 585 N VAL A 29 -23.411 -18.105 5.318 1.00 20.00 N ATOM 586 CA VAL A 29 -23.886 -19.046 6.323 1.00 20.00 C ATOM 587 C VAL A 29 -24.659 -20.191 5.669 1.00 20.00 C ATOM 588 O VAL A 29 -24.653 -21.321 6.158 1.00 20.00 O ATOM 589 CB VAL A 29 -24.759 -18.354 7.401 1.00 20.00 C ATOM 590 CG1 VAL A 29 -26.076 -17.850 6.824 1.00 20.00 C ATOM 591 CG2 VAL A 29 -25.008 -19.290 8.572 1.00 20.00 C ATOM 0 H VAL A 29 -23.907 -17.214 5.301 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.007 -19.452 6.823 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.207 -17.486 7.761 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.659 -17.372 7.611 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.874 -17.128 6.032 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -26.639 -18.689 6.415 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.623 -18.785 9.317 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.525 -20.183 8.220 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.056 -19.574 9.019 1.00 20.00 H new ATOM 772 N HIS A 42 -28.411 -34.887 17.688 1.00 20.00 N ATOM 773 CA HIS A 42 -28.352 -34.153 18.945 1.00 20.00 C ATOM 774 C HIS A 42 -27.388 -32.984 18.814 1.00 20.00 C ATOM 775 O HIS A 42 -27.459 -32.018 19.571 1.00 20.00 O ATOM 776 CB HIS A 42 -27.922 -35.064 20.100 1.00 20.00 C ATOM 777 CG HIS A 42 -28.949 -36.085 20.478 1.00 20.00 C ATOM 778 ND1 HIS A 42 -28.735 -37.443 20.379 1.00 20.00 N ATOM 779 CD2 HIS A 42 -30.203 -35.942 20.969 1.00 20.00 C ATOM 780 CE1 HIS A 42 -29.810 -38.087 20.790 1.00 20.00 C ATOM 781 NE2 HIS A 42 -30.717 -37.201 21.156 1.00 20.00 N ATOM 0 HA HIS A 42 -29.350 -33.776 19.168 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -27.000 -35.575 19.824 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -27.697 -34.449 20.971 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -30.706 -35.009 21.175 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -29.928 -39.160 20.822 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -31.646 -37.416 21.518 1.00 20.00 H new ATOM 790 N ASP A 43 -26.491 -33.084 17.836 1.00 20.00 N ATOM 791 CA ASP A 43 -25.564 -32.002 17.521 1.00 20.00 C ATOM 792 C ASP A 43 -26.324 -30.763 17.073 1.00 20.00 C ATOM 793 O ASP A 43 -25.955 -29.640 17.409 1.00 20.00 O ATOM 794 CB ASP A 43 -24.582 -32.431 16.425 1.00 20.00 C ATOM 795 CG ASP A 43 -23.758 -31.272 15.897 1.00 20.00 C ATOM 796 OD1 ASP A 43 -22.785 -30.871 16.569 1.00 20.00 O ATOM 797 OD2 ASP A 43 -24.064 -30.772 14.793 1.00 20.00 O ATOM 0 H ASP A 43 -26.387 -33.909 17.245 1.00 20.00 H new ATOM 0 HA ASP A 43 -25.001 -31.767 18.424 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -23.915 -33.197 16.819 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -25.136 -32.883 15.602 1.00 20.00 H new ATOM 802 N GLU A 44 -27.403 -30.982 16.332 1.00 20.00 N ATOM 803 CA GLU A 44 -28.208 -29.889 15.814 1.00 20.00 C ATOM 804 C GLU A 44 -28.857 -29.117 16.951 1.00 20.00 C ATOM 805 O GLU A 44 -28.828 -27.892 16.979 1.00 20.00 O ATOM 806 CB GLU A 44 -29.278 -30.416 14.860 1.00 20.00 C ATOM 807 CG GLU A 44 -30.145 -29.324 14.262 1.00 20.00 C ATOM 808 CD GLU A 44 -31.120 -29.856 13.239 1.00 20.00 C ATOM 809 OE1 GLU A 44 -30.691 -30.146 12.103 1.00 20.00 O ATOM 810 OE2 GLU A 44 -32.319 -29.987 13.564 1.00 20.00 O ATOM 0 H GLU A 44 -27.740 -31.911 16.077 1.00 20.00 H new ATOM 0 HA GLU A 44 -27.551 -29.214 15.265 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -28.795 -30.968 14.054 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -29.914 -31.122 15.394 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -30.696 -28.824 15.059 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -29.508 -28.573 13.796 1.00 20.00 H new ATOM 817 N VAL A 45 -29.424 -29.844 17.899 1.00 20.00 N ATOM 818 CA VAL A 45 -30.066 -29.224 19.043 1.00 20.00 C ATOM 819 C VAL A 45 -29.030 -28.505 19.899 1.00 20.00 C ATOM 820 O VAL A 45 -29.245 -27.374 20.339 1.00 20.00 O ATOM 821 CB VAL A 45 -30.817 -30.265 19.897 1.00 20.00 C ATOM 822 CG1 VAL A 45 -31.547 -29.596 21.052 1.00 20.00 C ATOM 823 CG2 VAL A 45 -31.788 -31.061 19.039 1.00 20.00 C ATOM 0 H VAL A 45 -29.452 -30.864 17.898 1.00 20.00 H new ATOM 0 HA VAL A 45 -30.792 -28.503 18.669 1.00 20.00 H new ATOM 0 HB VAL A 45 -30.082 -30.953 20.315 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -32.069 -30.352 21.639 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -30.828 -29.077 21.686 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -32.268 -28.879 20.660 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -32.308 -31.790 19.660 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -32.514 -30.384 18.588 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -31.239 -31.579 18.253 1.00 20.00 H new ATOM 833 N GLU A 46 -27.894 -29.162 20.098 1.00 20.00 N ATOM 834 CA GLU A 46 -26.808 -28.602 20.894 1.00 20.00 C ATOM 835 C GLU A 46 -26.288 -27.306 20.275 1.00 20.00 C ATOM 836 O GLU A 46 -26.152 -26.291 20.964 1.00 20.00 O ATOM 837 CB GLU A 46 -25.669 -29.619 21.029 1.00 20.00 C ATOM 838 CG GLU A 46 -24.610 -29.231 22.048 1.00 20.00 C ATOM 839 CD GLU A 46 -25.174 -29.076 23.445 1.00 20.00 C ATOM 840 OE1 GLU A 46 -25.572 -30.096 24.050 1.00 20.00 O ATOM 841 OE2 GLU A 46 -25.212 -27.935 23.952 1.00 20.00 O ATOM 0 H GLU A 46 -27.700 -30.088 19.717 1.00 20.00 H new ATOM 0 HA GLU A 46 -27.197 -28.373 21.886 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -26.090 -30.585 21.308 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -25.193 -29.747 20.057 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -23.827 -29.989 22.059 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -24.143 -28.294 21.743 1.00 20.00 H new ATOM 848 N ARG A 47 -26.015 -27.330 18.972 1.00 20.00 N ATOM 849 CA ARG A 47 -25.504 -26.146 18.289 1.00 20.00 C ATOM 850 C ARG A 47 -26.552 -25.039 18.278 1.00 20.00 C ATOM 851 O ARG A 47 -26.218 -23.866 18.418 1.00 20.00 O ATOM 852 CB ARG A 47 -25.057 -26.465 16.856 1.00 20.00 C ATOM 853 CG ARG A 47 -26.186 -26.892 15.933 1.00 20.00 C ATOM 854 CD ARG A 47 -25.711 -27.061 14.499 1.00 20.00 C ATOM 855 NE ARG A 47 -25.295 -25.793 13.907 1.00 20.00 N ATOM 856 CZ ARG A 47 -24.639 -25.688 12.754 1.00 20.00 C ATOM 857 NH1 ARG A 47 -24.330 -26.777 12.057 1.00 20.00 N ATOM 858 NH2 ARG A 47 -24.296 -24.491 12.294 1.00 20.00 N ATOM 0 H ARG A 47 -26.138 -28.147 18.374 1.00 20.00 H new ATOM 0 HA ARG A 47 -24.630 -25.803 18.843 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -24.571 -25.585 16.434 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -24.309 -27.258 16.888 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -26.610 -27.831 16.288 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -26.983 -26.149 15.966 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -24.878 -27.763 14.474 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -26.512 -27.495 13.901 1.00 20.00 H new ATOM 0 HE ARG A 47 -25.521 -24.934 14.408 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -24.596 -27.698 12.405 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -23.827 -26.692 11.174 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -24.535 -23.653 12.824 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -23.793 -24.409 11.410 1.00 20.00 H new ATOM 872 N ARG A 48 -27.823 -25.413 18.138 1.00 20.00 N ATOM 873 CA ARG A 48 -28.902 -24.435 18.130 1.00 20.00 C ATOM 874 C ARG A 48 -28.963 -23.692 19.452 1.00 20.00 C ATOM 875 O ARG A 48 -29.169 -22.485 19.476 1.00 20.00 O ATOM 876 CB ARG A 48 -30.255 -25.090 17.836 1.00 20.00 C ATOM 877 CG ARG A 48 -30.483 -25.421 16.366 1.00 20.00 C ATOM 878 CD ARG A 48 -30.326 -24.192 15.481 1.00 20.00 C ATOM 879 NE ARG A 48 -31.149 -23.072 15.942 1.00 20.00 N ATOM 880 CZ ARG A 48 -30.944 -21.803 15.586 1.00 20.00 C ATOM 881 NH1 ARG A 48 -29.953 -21.497 14.759 1.00 20.00 N ATOM 882 NH2 ARG A 48 -31.735 -20.843 16.051 1.00 20.00 N ATOM 0 H ARG A 48 -28.126 -26.381 18.029 1.00 20.00 H new ATOM 0 HA ARG A 48 -28.689 -23.724 17.332 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -30.337 -26.007 18.420 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -31.049 -24.425 18.174 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -29.776 -26.188 16.052 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -31.482 -25.837 16.237 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -29.279 -23.889 15.464 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -30.601 -24.446 14.457 1.00 20.00 H new ATOM 0 HE ARG A 48 -31.925 -23.274 16.573 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -29.347 -22.232 14.395 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -29.797 -20.526 14.487 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -32.502 -21.075 16.682 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -31.576 -19.874 15.777 1.00 20.00 H new ATOM 896 N MET A 49 -28.761 -24.413 20.549 1.00 20.00 N ATOM 897 CA MET A 49 -28.756 -23.806 21.875 1.00 20.00 C ATOM 898 C MET A 49 -27.703 -22.711 21.968 1.00 20.00 C ATOM 899 O MET A 49 -27.919 -21.681 22.606 1.00 20.00 O ATOM 900 CB MET A 49 -28.496 -24.863 22.945 1.00 20.00 C ATOM 901 CG MET A 49 -29.590 -25.906 23.042 1.00 20.00 C ATOM 902 SD MET A 49 -31.182 -25.201 23.504 1.00 20.00 S ATOM 903 CE MET A 49 -32.195 -26.678 23.521 1.00 20.00 C ATOM 0 H MET A 49 -28.598 -25.420 20.546 1.00 20.00 H new ATOM 0 HA MET A 49 -29.737 -23.361 22.043 1.00 20.00 H new ATOM 0 HB2 MET A 49 -27.549 -25.360 22.732 1.00 20.00 H new ATOM 0 HB3 MET A 49 -28.387 -24.371 23.912 1.00 20.00 H new ATOM 0 HG2 MET A 49 -29.687 -26.415 22.083 1.00 20.00 H new ATOM 0 HG3 MET A 49 -29.304 -26.660 23.776 1.00 20.00 H new ATOM 0 HE1 MET A 49 -33.218 -26.415 23.791 1.00 20.00 H new ATOM 0 HE2 MET A 49 -32.187 -27.136 22.532 1.00 20.00 H new ATOM 0 HE3 MET A 49 -31.798 -27.383 24.251 1.00 20.00 H new ATOM 913 N ALA A 50 -26.573 -22.934 21.316 1.00 20.00 N ATOM 914 CA ALA A 50 -25.486 -21.971 21.331 1.00 20.00 C ATOM 915 C ALA A 50 -25.728 -20.855 20.325 1.00 20.00 C ATOM 916 O ALA A 50 -25.692 -19.679 20.673 1.00 20.00 O ATOM 917 CB ALA A 50 -24.165 -22.665 21.041 1.00 20.00 C ATOM 0 H ALA A 50 -26.386 -23.775 20.770 1.00 20.00 H new ATOM 0 HA ALA A 50 -25.442 -21.526 22.325 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -23.358 -21.932 21.055 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -23.979 -23.425 21.800 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -24.210 -23.137 20.059 1.00 20.00 H new ATOM 923 N GLU A 51 -26.004 -21.233 19.086 1.00 20.00 N ATOM 924 CA GLU A 51 -26.149 -20.273 17.997 1.00 20.00 C ATOM 925 C GLU A 51 -27.351 -19.354 18.210 1.00 20.00 C ATOM 926 O GLU A 51 -27.323 -18.184 17.832 1.00 20.00 O ATOM 927 CB GLU A 51 -26.268 -21.004 16.659 1.00 20.00 C ATOM 928 CG GLU A 51 -25.031 -21.813 16.300 1.00 20.00 C ATOM 929 CD GLU A 51 -25.184 -22.584 15.007 1.00 20.00 C ATOM 930 OE1 GLU A 51 -26.050 -23.475 14.944 1.00 20.00 O ATOM 931 OE2 GLU A 51 -24.418 -22.325 14.055 1.00 20.00 O ATOM 0 H GLU A 51 -26.133 -22.205 18.806 1.00 20.00 H new ATOM 0 HA GLU A 51 -25.256 -19.649 17.984 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -27.131 -21.669 16.692 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -26.458 -20.275 15.871 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -24.176 -21.142 16.218 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -24.812 -22.510 17.109 1.00 20.00 H new ATOM 938 N ARG A 52 -28.402 -19.883 18.821 1.00 20.00 N ATOM 939 CA ARG A 52 -29.597 -19.100 19.122 1.00 20.00 C ATOM 940 C ARG A 52 -29.251 -17.944 20.060 1.00 20.00 C ATOM 941 O ARG A 52 -29.836 -16.862 19.981 1.00 20.00 O ATOM 942 CB ARG A 52 -30.650 -20.012 19.756 1.00 20.00 C ATOM 943 CG ARG A 52 -32.013 -19.379 19.981 1.00 20.00 C ATOM 944 CD ARG A 52 -32.973 -20.412 20.549 1.00 20.00 C ATOM 945 NE ARG A 52 -34.324 -19.897 20.752 1.00 20.00 N ATOM 946 CZ ARG A 52 -35.329 -20.644 21.208 1.00 20.00 C ATOM 947 NH1 ARG A 52 -35.118 -21.919 21.512 1.00 20.00 N ATOM 948 NH2 ARG A 52 -36.539 -20.123 21.364 1.00 20.00 N ATOM 0 H ARG A 52 -28.453 -20.857 19.120 1.00 20.00 H new ATOM 0 HA ARG A 52 -29.997 -18.678 18.200 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -30.776 -20.889 19.121 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -30.270 -20.365 20.715 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -31.924 -18.536 20.666 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -32.401 -18.986 19.041 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -33.016 -21.267 19.875 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -32.584 -20.775 21.500 1.00 20.00 H new ATOM 0 HE ARG A 52 -34.508 -18.918 20.534 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -34.189 -22.324 21.396 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -35.885 -22.494 21.861 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -36.706 -19.143 21.134 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -37.302 -20.702 21.714 1.00 20.00 H new ATOM 962 N PHE A 53 -28.277 -18.177 20.928 1.00 20.00 N ATOM 963 CA PHE A 53 -27.836 -17.168 21.875 1.00 20.00 C ATOM 964 C PHE A 53 -26.712 -16.327 21.269 1.00 20.00 C ATOM 965 O PHE A 53 -26.691 -15.103 21.409 1.00 20.00 O ATOM 966 CB PHE A 53 -27.364 -17.842 23.167 1.00 20.00 C ATOM 967 CG PHE A 53 -27.159 -16.891 24.313 1.00 20.00 C ATOM 968 CD1 PHE A 53 -25.936 -16.267 24.506 1.00 20.00 C ATOM 969 CD2 PHE A 53 -28.191 -16.624 25.196 1.00 20.00 C ATOM 970 CE1 PHE A 53 -25.749 -15.395 25.561 1.00 20.00 C ATOM 971 CE2 PHE A 53 -28.009 -15.752 26.253 1.00 20.00 C ATOM 972 CZ PHE A 53 -26.786 -15.137 26.434 1.00 20.00 C ATOM 0 H PHE A 53 -27.775 -19.063 20.994 1.00 20.00 H new ATOM 0 HA PHE A 53 -28.672 -16.507 22.106 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -28.095 -18.595 23.460 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -26.428 -18.365 22.971 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -25.122 -16.465 23.825 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -29.149 -17.102 25.058 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -24.792 -14.915 25.702 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -28.822 -15.552 26.936 1.00 20.00 H new ATOM 0 HZ PHE A 53 -26.641 -14.454 27.258 1.00 20.00 H new ATOM 982 N ALA A 54 -25.794 -16.998 20.580 1.00 20.00 N ATOM 983 CA ALA A 54 -24.628 -16.350 19.990 1.00 20.00 C ATOM 984 C ALA A 54 -25.025 -15.302 18.958 1.00 20.00 C ATOM 985 O ALA A 54 -24.554 -14.166 19.006 1.00 20.00 O ATOM 986 CB ALA A 54 -23.711 -17.388 19.361 1.00 20.00 C ATOM 0 H ALA A 54 -25.837 -18.004 20.415 1.00 20.00 H new ATOM 0 HA ALA A 54 -24.095 -15.838 20.791 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -22.845 -16.891 18.924 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -23.379 -18.091 20.125 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -24.251 -17.927 18.582 1.00 20.00 H new ATOM 992 N LYS A 55 -25.907 -15.681 18.035 1.00 20.00 N ATOM 993 CA LYS A 55 -26.364 -14.766 16.993 1.00 20.00 C ATOM 994 C LYS A 55 -27.069 -13.556 17.596 1.00 20.00 C ATOM 995 O LYS A 55 -27.113 -12.488 16.987 1.00 20.00 O ATOM 996 CB LYS A 55 -27.299 -15.470 15.999 1.00 20.00 C ATOM 997 CG LYS A 55 -26.593 -16.197 14.851 1.00 20.00 C ATOM 998 CD LYS A 55 -25.820 -17.421 15.315 1.00 20.00 C ATOM 999 CE LYS A 55 -25.293 -18.225 14.136 1.00 20.00 C ATOM 1000 NZ LYS A 55 -24.287 -17.470 13.344 1.00 20.00 N ATOM 0 H LYS A 55 -26.318 -16.613 17.988 1.00 20.00 H new ATOM 0 HA LYS A 55 -25.480 -14.426 16.454 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -27.909 -16.190 16.544 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -27.979 -14.730 15.577 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -27.332 -16.500 14.109 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -25.909 -15.507 14.356 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -24.988 -17.110 15.946 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -26.466 -18.051 15.927 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -24.846 -19.150 14.500 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -26.125 -18.506 13.490 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -23.919 -18.075 12.582 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -24.733 -16.626 12.931 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -23.504 -17.180 13.964 1.00 20.00 H new ATOM 1014 N MET A 56 -27.609 -13.724 18.795 1.00 20.00 N ATOM 1015 CA MET A 56 -28.272 -12.632 19.491 1.00 20.00 C ATOM 1016 C MET A 56 -27.246 -11.734 20.178 1.00 20.00 C ATOM 1017 O MET A 56 -27.294 -10.509 20.054 1.00 20.00 O ATOM 1018 CB MET A 56 -29.263 -13.172 20.530 1.00 20.00 C ATOM 1019 CG MET A 56 -29.965 -12.083 21.330 1.00 20.00 C ATOM 1020 SD MET A 56 -30.884 -12.735 22.737 1.00 20.00 S ATOM 1021 CE MET A 56 -29.548 -13.369 23.751 1.00 20.00 C ATOM 0 H MET A 56 -27.601 -14.607 19.306 1.00 20.00 H new ATOM 0 HA MET A 56 -28.820 -12.047 18.753 1.00 20.00 H new ATOM 0 HB2 MET A 56 -30.013 -13.779 20.023 1.00 20.00 H new ATOM 0 HB3 MET A 56 -28.732 -13.831 21.217 1.00 20.00 H new ATOM 0 HG2 MET A 56 -29.226 -11.365 21.685 1.00 20.00 H new ATOM 0 HG3 MET A 56 -30.647 -11.540 20.676 1.00 20.00 H new ATOM 0 HE1 MET A 56 -29.875 -13.426 24.789 1.00 20.00 H new ATOM 0 HE2 MET A 56 -29.268 -14.364 23.404 1.00 20.00 H new ATOM 0 HE3 MET A 56 -28.688 -12.704 23.677 1.00 20.00 H new ATOM 1031 N ARG A 57 -26.306 -12.354 20.885 1.00 20.00 N ATOM 1032 CA ARG A 57 -25.304 -11.614 21.643 1.00 20.00 C ATOM 1033 C ARG A 57 -24.359 -10.868 20.706 1.00 20.00 C ATOM 1034 O ARG A 57 -24.003 -9.722 20.972 1.00 20.00 O ATOM 1035 CB ARG A 57 -24.514 -12.565 22.551 1.00 20.00 C ATOM 1036 CG ARG A 57 -23.491 -11.863 23.437 1.00 20.00 C ATOM 1037 CD ARG A 57 -24.148 -10.845 24.363 1.00 20.00 C ATOM 1038 NE ARG A 57 -25.050 -11.472 25.330 1.00 20.00 N ATOM 1039 CZ ARG A 57 -26.297 -11.059 25.574 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -26.829 -10.052 24.882 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -27.020 -11.661 26.513 1.00 20.00 N ATOM 0 H ARG A 57 -26.218 -13.368 20.948 1.00 20.00 H new ATOM 0 HA ARG A 57 -25.817 -10.881 22.265 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -25.213 -13.113 23.183 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -24.000 -13.300 21.932 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -22.956 -12.604 24.032 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -22.752 -11.362 22.812 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -23.375 -10.291 24.897 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -24.704 -10.122 23.767 1.00 20.00 H new ATOM 0 HE ARG A 57 -24.704 -12.277 25.852 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -26.283 -9.587 24.157 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -27.782 -9.746 25.078 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -26.622 -12.435 27.045 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -27.972 -11.348 26.702 1.00 20.00 H new