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=-0.64) USER MOD Single : A 19 ASN : amide:sc= -2.95! K(o=-3!,f=-0.21) USER MOD Single : A 20 SER OG : rot 73:sc= 0.294 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.16! K(o=-2.2!,f=-0.57) USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= -0.0529 (180deg=-0.431) USER MOD Single : A 42 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=0) USER MOD Single : A 49 MET CE :methyl -152:sc= -0.157 (180deg=-1.53) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.067 0.156 2.911 1.00 20.00 N ATOM 365 CA GLU A 16 -30.957 -0.871 1.880 1.00 20.00 C ATOM 366 C GLU A 16 -29.525 -1.371 1.734 1.00 20.00 C ATOM 367 O GLU A 16 -29.295 -2.541 1.425 1.00 20.00 O ATOM 368 CB GLU A 16 -31.457 -0.317 0.548 1.00 20.00 C ATOM 369 CG GLU A 16 -32.926 0.073 0.565 1.00 20.00 C ATOM 370 CD GLU A 16 -33.845 -1.120 0.727 1.00 20.00 C ATOM 371 OE1 GLU A 16 -34.036 -1.588 1.868 1.00 20.00 O ATOM 372 OE2 GLU A 16 -34.394 -1.588 -0.293 1.00 20.00 O ATOM 0 HA GLU A 16 -31.573 -1.718 2.180 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.861 0.555 0.280 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -31.297 -1.064 -0.230 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -33.102 0.775 1.380 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -33.171 0.592 -0.362 1.00 20.00 H new ATOM 379 N GLN A 17 -28.567 -0.482 1.971 1.00 20.00 N ATOM 380 CA GLN A 17 -27.153 -0.828 1.881 1.00 20.00 C ATOM 381 C GLN A 17 -26.782 -1.874 2.931 1.00 20.00 C ATOM 382 O GLN A 17 -25.888 -2.696 2.714 1.00 20.00 O ATOM 383 CB GLN A 17 -26.279 0.422 2.043 1.00 20.00 C ATOM 384 CG GLN A 17 -26.517 1.477 0.971 1.00 20.00 C ATOM 385 CD GLN A 17 -25.660 2.714 1.157 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.293 3.067 2.277 1.00 20.00 O ATOM 387 NE2 GLN A 17 -25.345 3.392 0.062 1.00 20.00 N ATOM 0 H GLN A 17 -28.745 0.489 2.228 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.972 -1.253 0.894 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.468 0.862 3.022 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.230 0.126 2.023 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.313 1.044 -0.008 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.568 1.765 0.980 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.668 3.067 -0.849 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.779 4.238 0.131 1.00 20.00 H new ATOM 396 N GLU A 18 -27.488 -1.848 4.060 1.00 20.00 N ATOM 397 CA GLU A 18 -27.273 -2.823 5.123 1.00 20.00 C ATOM 398 C GLU A 18 -27.802 -4.179 4.685 1.00 20.00 C ATOM 399 O GLU A 18 -27.201 -5.218 4.953 1.00 20.00 O ATOM 400 CB GLU A 18 -28.002 -2.405 6.406 1.00 20.00 C ATOM 401 CG GLU A 18 -27.759 -0.970 6.830 1.00 20.00 C ATOM 402 CD GLU A 18 -28.585 -0.585 8.043 1.00 20.00 C ATOM 403 OE1 GLU A 18 -29.831 -0.558 7.948 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.991 -0.304 9.103 1.00 20.00 O ATOM 0 H GLU A 18 -28.214 -1.161 4.261 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.203 -2.877 5.322 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -29.073 -2.552 6.264 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.694 -3.067 7.216 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.701 -0.833 7.054 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.999 -0.302 6.002 1.00 20.00 H new ATOM 411 N ASN A 19 -28.925 -4.149 3.980 1.00 20.00 N ATOM 412 CA ASN A 19 -29.628 -5.369 3.598 1.00 20.00 C ATOM 413 C ASN A 19 -28.861 -6.112 2.518 1.00 20.00 C ATOM 414 O ASN A 19 -28.857 -7.341 2.484 1.00 20.00 O ATOM 415 CB ASN A 19 -31.054 -5.060 3.122 1.00 20.00 C ATOM 416 CG ASN A 19 -31.965 -4.562 4.235 1.00 20.00 C ATOM 417 OD1 ASN A 19 -33.165 -4.831 4.233 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.410 -3.831 5.188 1.00 20.00 N ATOM 0 H ASN A 19 -29.371 -3.290 3.659 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.695 -6.006 4.480 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.012 -4.309 2.333 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.486 -5.959 2.683 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.981 -3.471 5.953 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.411 -3.627 5.158 1.00 20.00 H new ATOM 425 N SER A 20 -28.191 -5.364 1.650 1.00 20.00 N ATOM 426 CA SER A 20 -27.366 -5.967 0.613 1.00 20.00 C ATOM 427 C SER A 20 -26.205 -6.736 1.242 1.00 20.00 C ATOM 428 O SER A 20 -25.778 -7.770 0.727 1.00 20.00 O ATOM 429 CB SER A 20 -26.842 -4.889 -0.334 1.00 20.00 C ATOM 430 OG SER A 20 -27.902 -4.071 -0.804 1.00 20.00 O ATOM 0 H SER A 20 -28.203 -4.344 1.644 1.00 20.00 H new ATOM 0 HA SER A 20 -27.975 -6.667 0.041 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.103 -4.274 0.181 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.335 -5.356 -1.179 1.00 20.00 H new ATOM 0 HG SER A 20 -28.210 -3.487 -0.080 1.00 20.00 H new ATOM 436 N TYR A 21 -25.715 -6.237 2.370 1.00 20.00 N ATOM 437 CA TYR A 21 -24.640 -6.904 3.090 1.00 20.00 C ATOM 438 C TYR A 21 -25.204 -8.049 3.925 1.00 20.00 C ATOM 439 O TYR A 21 -24.576 -9.097 4.064 1.00 20.00 O ATOM 440 CB TYR A 21 -23.887 -5.910 3.979 1.00 20.00 C ATOM 441 CG TYR A 21 -22.640 -6.490 4.613 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.632 -7.033 3.825 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.464 -6.489 5.991 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.488 -7.559 4.391 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.322 -7.013 6.565 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.338 -7.547 5.760 1.00 20.00 C ATOM 447 OH TYR A 21 -19.195 -8.068 6.324 1.00 20.00 O ATOM 0 H TYR A 21 -26.045 -5.375 2.804 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.935 -7.312 2.366 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.611 -5.039 3.384 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.555 -5.560 4.765 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.746 -7.044 2.751 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.233 -6.072 6.624 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.715 -7.978 3.764 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.201 -7.004 7.638 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.243 -7.983 7.299 1.00 20.00 H new ATOM 457 N ASN A 22 -26.398 -7.839 4.468 1.00 20.00 N ATOM 458 CA ASN A 22 -27.109 -8.873 5.218 1.00 20.00 C ATOM 459 C ASN A 22 -27.320 -10.095 4.333 1.00 20.00 C ATOM 460 O ASN A 22 -27.050 -11.225 4.741 1.00 20.00 O ATOM 461 CB ASN A 22 -28.464 -8.321 5.705 1.00 20.00 C ATOM 462 CG ASN A 22 -29.237 -9.244 6.649 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.966 -8.768 7.518 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.109 -10.555 6.494 1.00 20.00 N ATOM 0 H ASN A 22 -26.900 -6.953 4.403 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.517 -9.166 6.085 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.292 -7.371 6.211 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.087 -8.111 4.836 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.621 -11.193 7.103 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.498 -10.925 5.766 1.00 20.00 H new ATOM 471 N GLU A 23 -27.794 -9.853 3.120 1.00 20.00 N ATOM 472 CA GLU A 23 -28.085 -10.919 2.178 1.00 20.00 C ATOM 473 C GLU A 23 -26.809 -11.676 1.817 1.00 20.00 C ATOM 474 O GLU A 23 -26.821 -12.898 1.656 1.00 20.00 O ATOM 475 CB GLU A 23 -28.744 -10.334 0.925 1.00 20.00 C ATOM 476 CG GLU A 23 -29.363 -11.374 0.009 1.00 20.00 C ATOM 477 CD GLU A 23 -30.459 -12.170 0.686 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.591 -11.658 0.808 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.199 -13.319 1.095 1.00 20.00 O ATOM 0 H GLU A 23 -27.986 -8.917 2.764 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.775 -11.625 2.640 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.516 -9.628 1.230 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.998 -9.769 0.365 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.770 -10.879 -0.873 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.586 -12.055 -0.338 1.00 20.00 H new ATOM 486 N TRP A 24 -25.703 -10.949 1.707 1.00 20.00 N ATOM 487 CA TRP A 24 -24.422 -11.566 1.395 1.00 20.00 C ATOM 488 C TRP A 24 -23.885 -12.347 2.592 1.00 20.00 C ATOM 489 O TRP A 24 -23.456 -13.490 2.446 1.00 20.00 O ATOM 490 CB TRP A 24 -23.400 -10.518 0.947 1.00 20.00 C ATOM 491 CG TRP A 24 -22.058 -11.111 0.635 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.884 -10.882 1.293 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.758 -12.048 -0.407 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.874 -11.618 0.724 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.385 -12.342 -0.322 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.519 -12.668 -1.402 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.757 -13.226 -1.194 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.893 -13.544 -2.268 1.00 20.00 C ATOM 499 CH2 TRP A 24 -20.525 -13.817 -2.158 1.00 20.00 C ATOM 0 H TRP A 24 -25.668 -9.937 1.829 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.584 -12.262 0.572 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.778 -10.002 0.064 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.288 -9.769 1.730 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.767 -10.219 2.137 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.901 -11.625 1.030 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.576 -12.466 -1.492 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.701 -13.437 -1.112 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.470 -14.026 -3.043 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -20.067 -14.509 -2.849 1.00 20.00 H new ATOM 510 N LEU A 25 -23.932 -11.738 3.773 1.00 20.00 N ATOM 511 CA LEU A 25 -23.400 -12.359 4.982 1.00 20.00 C ATOM 512 C LEU A 25 -24.116 -13.674 5.279 1.00 20.00 C ATOM 513 O LEU A 25 -23.479 -14.689 5.567 1.00 20.00 O ATOM 514 CB LEU A 25 -23.542 -11.411 6.177 1.00 20.00 C ATOM 515 CG LEU A 25 -22.941 -11.922 7.491 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.423 -12.000 7.399 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.363 -11.036 8.653 1.00 20.00 C ATOM 0 H LEU A 25 -24.334 -10.812 3.919 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.343 -12.568 4.815 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.070 -10.462 5.925 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.601 -11.208 6.335 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.322 -12.928 7.670 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.020 -12.365 8.343 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.142 -12.682 6.596 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.020 -11.009 7.191 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.926 -11.415 9.577 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.016 -10.018 8.479 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.450 -11.039 8.737 1.00 20.00 H new ATOM 529 N ARG A 26 -25.439 -13.644 5.181 1.00 20.00 N ATOM 530 CA ARG A 26 -26.262 -14.812 5.464 1.00 20.00 C ATOM 531 C ARG A 26 -26.038 -15.904 4.419 1.00 20.00 C ATOM 532 O ARG A 26 -26.154 -17.093 4.715 1.00 20.00 O ATOM 533 CB ARG A 26 -27.740 -14.412 5.513 1.00 20.00 C ATOM 534 CG ARG A 26 -28.681 -15.556 5.863 1.00 20.00 C ATOM 535 CD ARG A 26 -30.136 -15.113 5.840 1.00 20.00 C ATOM 536 NE ARG A 26 -30.556 -14.664 4.511 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.817 -14.382 4.182 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.784 -14.496 5.084 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.111 -13.974 2.952 1.00 20.00 N ATOM 0 H ARG A 26 -25.968 -12.817 4.905 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.971 -15.212 6.435 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.866 -13.615 6.246 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.027 -14.003 4.544 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.538 -16.374 5.157 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.433 -15.942 6.852 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.771 -15.939 6.160 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.279 -14.305 6.557 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.840 -14.561 3.792 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.564 -14.800 6.032 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.748 -14.279 4.829 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.371 -13.876 2.257 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.077 -13.759 2.703 1.00 20.00 H new ATOM 553 N ALA A 27 -25.703 -15.495 3.201 1.00 20.00 N ATOM 554 CA ALA A 27 -25.460 -16.440 2.119 1.00 20.00 C ATOM 555 C ALA A 27 -24.051 -17.006 2.208 1.00 20.00 C ATOM 556 O ALA A 27 -23.802 -18.149 1.834 1.00 20.00 O ATOM 557 CB ALA A 27 -25.671 -15.777 0.769 1.00 20.00 C ATOM 0 H ALA A 27 -25.594 -14.515 2.938 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.173 -17.259 2.220 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.484 -16.500 -0.025 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.697 -15.416 0.697 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.983 -14.938 0.664 1.00 20.00 H new ATOM 563 N LYS A 28 -23.133 -16.188 2.696 1.00 20.00 N ATOM 564 CA LYS A 28 -21.749 -16.601 2.845 1.00 20.00 C ATOM 565 C LYS A 28 -21.619 -17.569 4.016 1.00 20.00 C ATOM 566 O LYS A 28 -21.389 -18.761 3.820 1.00 20.00 O ATOM 567 CB LYS A 28 -20.847 -15.371 3.044 1.00 20.00 C ATOM 568 CG LYS A 28 -19.359 -15.674 3.219 1.00 20.00 C ATOM 569 CD LYS A 28 -18.703 -16.158 1.929 1.00 20.00 C ATOM 570 CE LYS A 28 -18.732 -17.677 1.793 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.914 -18.345 2.841 1.00 20.00 N ATOM 0 H LYS A 28 -23.323 -15.232 2.996 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.428 -17.114 1.938 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.968 -14.710 2.186 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.195 -14.824 3.920 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -18.848 -14.777 3.568 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.235 -16.432 3.992 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.213 -15.710 1.076 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -17.669 -15.813 1.899 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.762 -18.027 1.859 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.361 -17.960 0.808 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.635 -19.292 2.513 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.062 -17.779 3.029 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.472 -18.432 3.714 1.00 20.00 H new ATOM 585 N VAL A 29 -21.763 -17.059 5.229 1.00 20.00 N ATOM 586 CA VAL A 29 -21.730 -17.902 6.408 1.00 20.00 C ATOM 587 C VAL A 29 -23.137 -18.112 6.984 1.00 20.00 C ATOM 588 O VAL A 29 -23.707 -19.201 6.861 1.00 20.00 O ATOM 589 CB VAL A 29 -20.740 -17.365 7.481 1.00 20.00 C ATOM 590 CG1 VAL A 29 -20.984 -15.897 7.817 1.00 20.00 C ATOM 591 CG2 VAL A 29 -20.789 -18.224 8.735 1.00 20.00 C ATOM 0 H VAL A 29 -21.903 -16.067 5.420 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.356 -18.877 6.097 1.00 20.00 H new ATOM 0 HB VAL A 29 -19.740 -17.428 7.052 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -20.267 -15.572 8.571 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -20.864 -15.293 6.918 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -21.996 -15.776 8.203 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -20.089 -17.831 9.473 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -21.798 -18.208 9.148 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -20.515 -19.249 8.485 1.00 20.00 H new ATOM 772 N HIS A 42 -38.099 -0.118 23.240 1.00 20.00 N ATOM 773 CA HIS A 42 -39.297 -0.198 24.078 1.00 20.00 C ATOM 774 C HIS A 42 -39.000 -0.934 25.381 1.00 20.00 C ATOM 775 O HIS A 42 -39.813 -0.948 26.301 1.00 20.00 O ATOM 776 CB HIS A 42 -40.453 -0.885 23.331 1.00 20.00 C ATOM 777 CG HIS A 42 -40.164 -2.288 22.885 1.00 20.00 C ATOM 778 ND1 HIS A 42 -39.815 -2.608 21.590 1.00 20.00 N ATOM 779 CD2 HIS A 42 -40.182 -3.458 23.566 1.00 20.00 C ATOM 780 CE1 HIS A 42 -39.633 -3.911 21.495 1.00 20.00 C ATOM 781 NE2 HIS A 42 -39.848 -4.447 22.679 1.00 20.00 N ATOM 0 HA HIS A 42 -39.602 0.821 24.316 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -41.330 -0.897 23.978 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -40.710 -0.286 22.457 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -40.416 -3.587 24.612 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -39.355 -4.447 20.599 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -39.777 -5.440 22.900 1.00 20.00 H new ATOM 790 N ASP A 43 -37.823 -1.541 25.449 1.00 20.00 N ATOM 791 CA ASP A 43 -37.386 -2.248 26.645 1.00 20.00 C ATOM 792 C ASP A 43 -37.240 -1.275 27.807 1.00 20.00 C ATOM 793 O ASP A 43 -37.437 -1.635 28.966 1.00 20.00 O ATOM 794 CB ASP A 43 -36.056 -2.954 26.389 1.00 20.00 C ATOM 795 CG ASP A 43 -36.082 -3.779 25.122 1.00 20.00 C ATOM 796 OD1 ASP A 43 -35.899 -3.191 24.034 1.00 20.00 O ATOM 797 OD2 ASP A 43 -36.288 -5.008 25.208 1.00 20.00 O ATOM 0 H ASP A 43 -37.149 -1.558 24.683 1.00 20.00 H new ATOM 0 HA ASP A 43 -38.138 -2.995 26.899 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -35.260 -2.212 26.321 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -35.820 -3.599 27.236 1.00 20.00 H new ATOM 802 N GLU A 44 -36.917 -0.029 27.482 1.00 20.00 N ATOM 803 CA GLU A 44 -36.787 1.017 28.483 1.00 20.00 C ATOM 804 C GLU A 44 -38.164 1.353 29.059 1.00 20.00 C ATOM 805 O GLU A 44 -38.297 1.740 30.220 1.00 20.00 O ATOM 806 CB GLU A 44 -36.144 2.257 27.856 1.00 20.00 C ATOM 807 CG GLU A 44 -35.729 3.315 28.863 1.00 20.00 C ATOM 808 CD GLU A 44 -34.694 2.810 29.849 1.00 20.00 C ATOM 809 OE1 GLU A 44 -33.570 2.466 29.420 1.00 20.00 O ATOM 810 OE2 GLU A 44 -34.997 2.758 31.059 1.00 20.00 O ATOM 0 H GLU A 44 -36.740 0.281 26.526 1.00 20.00 H new ATOM 0 HA GLU A 44 -36.147 0.669 29.294 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -35.267 1.950 27.286 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -36.846 2.699 27.149 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -35.328 4.179 28.332 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -36.609 3.656 29.409 1.00 20.00 H new ATOM 817 N VAL A 45 -39.187 1.173 28.233 1.00 20.00 N ATOM 818 CA VAL A 45 -40.566 1.360 28.656 1.00 20.00 C ATOM 819 C VAL A 45 -40.973 0.234 29.600 1.00 20.00 C ATOM 820 O VAL A 45 -41.662 0.459 30.600 1.00 20.00 O ATOM 821 CB VAL A 45 -41.521 1.403 27.444 1.00 20.00 C ATOM 822 CG1 VAL A 45 -42.963 1.582 27.886 1.00 20.00 C ATOM 823 CG2 VAL A 45 -41.115 2.516 26.496 1.00 20.00 C ATOM 0 H VAL A 45 -39.084 0.895 27.257 1.00 20.00 H new ATOM 0 HA VAL A 45 -40.637 2.315 29.176 1.00 20.00 H new ATOM 0 HB VAL A 45 -41.448 0.449 26.921 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -43.611 1.609 27.010 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -43.253 0.750 28.527 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -43.061 2.517 28.438 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -41.796 2.536 25.645 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -41.158 3.472 27.018 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -40.099 2.341 26.143 1.00 20.00 H new ATOM 833 N GLU A 46 -40.523 -0.977 29.279 1.00 20.00 N ATOM 834 CA GLU A 46 -40.711 -2.133 30.156 1.00 20.00 C ATOM 835 C GLU A 46 -40.153 -1.830 31.541 1.00 20.00 C ATOM 836 O GLU A 46 -40.774 -2.143 32.554 1.00 20.00 O ATOM 837 CB GLU A 46 -40.010 -3.376 29.592 1.00 20.00 C ATOM 838 CG GLU A 46 -40.449 -3.755 28.186 1.00 20.00 C ATOM 839 CD GLU A 46 -41.842 -4.347 28.147 1.00 20.00 C ATOM 840 OE1 GLU A 46 -42.824 -3.576 28.153 1.00 20.00 O ATOM 841 OE2 GLU A 46 -41.962 -5.590 28.107 1.00 20.00 O ATOM 0 H GLU A 46 -40.023 -1.185 28.414 1.00 20.00 H new ATOM 0 HA GLU A 46 -41.780 -2.334 30.221 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -38.934 -3.203 29.590 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -40.196 -4.218 30.258 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -40.417 -2.871 27.549 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -39.742 -4.473 27.770 1.00 20.00 H new ATOM 848 N ARG A 47 -38.981 -1.200 31.564 1.00 20.00 N ATOM 849 CA ARG A 47 -38.320 -0.836 32.815 1.00 20.00 C ATOM 850 C ARG A 47 -39.167 0.153 33.603 1.00 20.00 C ATOM 851 O ARG A 47 -39.290 0.051 34.822 1.00 20.00 O ATOM 852 CB ARG A 47 -36.946 -0.215 32.540 1.00 20.00 C ATOM 853 CG ARG A 47 -36.043 -1.064 31.661 1.00 20.00 C ATOM 854 CD ARG A 47 -35.814 -2.444 32.248 1.00 20.00 C ATOM 855 NE ARG A 47 -34.972 -3.269 31.389 1.00 20.00 N ATOM 856 CZ ARG A 47 -34.431 -4.424 31.765 1.00 20.00 C ATOM 857 NH1 ARG A 47 -34.629 -4.884 32.993 1.00 20.00 N ATOM 858 NH2 ARG A 47 -33.690 -5.119 30.911 1.00 20.00 N ATOM 0 H ARG A 47 -38.467 -0.930 30.726 1.00 20.00 H new ATOM 0 HA ARG A 47 -38.193 -1.747 33.400 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -37.087 0.756 32.066 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -36.444 -0.035 33.491 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -36.488 -1.160 30.670 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -35.085 -0.561 31.533 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -35.348 -2.348 33.229 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -36.774 -2.938 32.398 1.00 20.00 H new ATOM 0 HE ARG A 47 -34.787 -2.940 30.442 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -35.197 -4.352 33.652 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -34.213 -5.770 33.279 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -33.535 -4.767 29.966 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -33.275 -6.005 31.200 1.00 20.00 H new ATOM 872 N ARG A 48 -39.758 1.105 32.894 1.00 20.00 N ATOM 873 CA ARG A 48 -40.548 2.154 33.526 1.00 20.00 C ATOM 874 C ARG A 48 -41.817 1.583 34.153 1.00 20.00 C ATOM 875 O ARG A 48 -42.215 1.980 35.247 1.00 20.00 O ATOM 876 CB ARG A 48 -40.912 3.237 32.506 1.00 20.00 C ATOM 877 CG ARG A 48 -41.634 4.430 33.117 1.00 20.00 C ATOM 878 CD ARG A 48 -42.052 5.441 32.062 1.00 20.00 C ATOM 879 NE ARG A 48 -42.698 6.608 32.659 1.00 20.00 N ATOM 880 CZ ARG A 48 -43.567 7.389 32.025 1.00 20.00 C ATOM 881 NH1 ARG A 48 -43.928 7.115 30.777 1.00 20.00 N ATOM 882 NH2 ARG A 48 -44.084 8.443 32.648 1.00 20.00 N ATOM 0 H ARG A 48 -39.705 1.173 31.878 1.00 20.00 H new ATOM 0 HA ARG A 48 -39.943 2.598 34.317 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -40.002 3.585 32.017 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -41.542 2.799 31.732 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -42.515 4.083 33.657 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -40.984 4.914 33.846 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -41.177 5.759 31.496 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -42.734 4.969 31.355 1.00 20.00 H new ATOM 0 HE ARG A 48 -42.467 6.838 33.625 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -43.538 6.302 30.300 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -44.595 7.718 30.295 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -43.814 8.650 33.609 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -44.751 9.045 32.165 1.00 20.00 H new ATOM 896 N MET A 49 -42.440 0.639 33.465 1.00 20.00 N ATOM 897 CA MET A 49 -43.700 0.067 33.928 1.00 20.00 C ATOM 898 C MET A 49 -43.467 -1.033 34.956 1.00 20.00 C ATOM 899 O MET A 49 -44.358 -1.351 35.743 1.00 20.00 O ATOM 900 CB MET A 49 -44.499 -0.494 32.750 1.00 20.00 C ATOM 901 CG MET A 49 -44.931 0.555 31.739 1.00 20.00 C ATOM 902 SD MET A 49 -45.939 -0.131 30.408 1.00 20.00 S ATOM 903 CE MET A 49 -44.846 -1.398 29.766 1.00 20.00 C ATOM 0 H MET A 49 -42.097 0.252 32.586 1.00 20.00 H new ATOM 0 HA MET A 49 -44.268 0.868 34.402 1.00 20.00 H new ATOM 0 HB2 MET A 49 -43.897 -1.247 32.242 1.00 20.00 H new ATOM 0 HB3 MET A 49 -45.385 -1.000 33.134 1.00 20.00 H new ATOM 0 HG2 MET A 49 -45.494 1.336 32.250 1.00 20.00 H new ATOM 0 HG3 MET A 49 -44.047 1.028 31.312 1.00 20.00 H new ATOM 0 HE1 MET A 49 -45.059 -1.561 28.710 1.00 20.00 H new ATOM 0 HE2 MET A 49 -43.810 -1.078 29.882 1.00 20.00 H new ATOM 0 HE3 MET A 49 -45.003 -2.326 30.316 1.00 20.00 H new ATOM 913 N ALA A 50 -42.266 -1.600 34.948 1.00 20.00 N ATOM 914 CA ALA A 50 -41.924 -2.719 35.824 1.00 20.00 C ATOM 915 C ALA A 50 -42.149 -2.387 37.294 1.00 20.00 C ATOM 916 O ALA A 50 -42.608 -3.228 38.067 1.00 20.00 O ATOM 917 CB ALA A 50 -40.481 -3.133 35.602 1.00 20.00 C ATOM 0 H ALA A 50 -41.505 -1.301 34.339 1.00 20.00 H new ATOM 0 HA ALA A 50 -42.587 -3.546 35.569 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -40.237 -3.967 36.260 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -40.345 -3.437 34.564 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -39.823 -2.292 35.823 1.00 20.00 H new ATOM 923 N GLU A 51 -41.835 -1.155 37.670 1.00 20.00 N ATOM 924 CA GLU A 51 -41.969 -0.719 39.056 1.00 20.00 C ATOM 925 C GLU A 51 -43.437 -0.624 39.475 1.00 20.00 C ATOM 926 O GLU A 51 -43.759 -0.698 40.659 1.00 20.00 O ATOM 927 CB GLU A 51 -41.258 0.619 39.271 1.00 20.00 C ATOM 928 CG GLU A 51 -41.792 1.754 38.415 1.00 20.00 C ATOM 929 CD GLU A 51 -41.047 3.049 38.645 1.00 20.00 C ATOM 930 OE1 GLU A 51 -40.003 3.262 37.994 1.00 20.00 O ATOM 931 OE2 GLU A 51 -41.507 3.865 39.468 1.00 20.00 O ATOM 0 H GLU A 51 -41.485 -0.438 37.035 1.00 20.00 H new ATOM 0 HA GLU A 51 -41.494 -1.470 39.687 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -41.345 0.899 40.321 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -40.196 0.491 39.062 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -41.719 1.478 37.363 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -42.850 1.903 38.632 1.00 20.00 H new ATOM 938 N ARG A 52 -44.326 -0.473 38.502 1.00 20.00 N ATOM 939 CA ARG A 52 -45.755 -0.451 38.781 1.00 20.00 C ATOM 940 C ARG A 52 -46.314 -1.866 38.772 1.00 20.00 C ATOM 941 O ARG A 52 -47.117 -2.234 39.630 1.00 20.00 O ATOM 942 CB ARG A 52 -46.509 0.418 37.771 1.00 20.00 C ATOM 943 CG ARG A 52 -46.247 1.910 37.909 1.00 20.00 C ATOM 944 CD ARG A 52 -47.222 2.724 37.068 1.00 20.00 C ATOM 945 NE ARG A 52 -47.032 2.513 35.633 1.00 20.00 N ATOM 946 CZ ARG A 52 -47.871 1.826 34.854 1.00 20.00 C ATOM 947 NH1 ARG A 52 -48.925 1.205 35.377 1.00 20.00 N ATOM 948 NH2 ARG A 52 -47.647 1.754 33.548 1.00 20.00 N ATOM 0 H ARG A 52 -44.084 -0.364 37.517 1.00 20.00 H new ATOM 0 HA ARG A 52 -45.895 -0.015 39.770 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -46.235 0.105 36.764 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -47.578 0.237 37.881 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -46.335 2.201 38.956 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -45.225 2.132 37.601 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -48.243 2.456 37.340 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -47.098 3.783 37.296 1.00 20.00 H new ATOM 0 HE ARG A 52 -46.203 2.918 35.198 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -49.098 1.251 36.381 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -49.560 0.683 34.774 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -46.836 2.222 33.143 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -48.285 1.230 32.949 1.00 20.00 H new ATOM 962 N PHE A 53 -45.863 -2.668 37.812 1.00 20.00 N ATOM 963 CA PHE A 53 -46.279 -4.064 37.716 1.00 20.00 C ATOM 964 C PHE A 53 -45.734 -4.880 38.883 1.00 20.00 C ATOM 965 O PHE A 53 -46.128 -6.029 39.084 1.00 20.00 O ATOM 966 CB PHE A 53 -45.822 -4.681 36.394 1.00 20.00 C ATOM 967 CG PHE A 53 -46.593 -4.199 35.199 1.00 20.00 C ATOM 968 CD1 PHE A 53 -47.976 -4.290 35.167 1.00 20.00 C ATOM 969 CD2 PHE A 53 -45.937 -3.662 34.103 1.00 20.00 C ATOM 970 CE1 PHE A 53 -48.688 -3.856 34.066 1.00 20.00 C ATOM 971 CE2 PHE A 53 -46.645 -3.225 33.000 1.00 20.00 C ATOM 972 CZ PHE A 53 -48.023 -3.321 32.981 1.00 20.00 C ATOM 0 H PHE A 53 -45.208 -2.374 37.088 1.00 20.00 H new ATOM 0 HA PHE A 53 -47.368 -4.084 37.755 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -44.765 -4.458 36.246 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -45.913 -5.765 36.460 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -48.503 -4.705 36.013 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -44.860 -3.584 34.111 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -49.765 -3.935 34.054 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -46.121 -2.808 32.153 1.00 20.00 H new ATOM 0 HZ PHE A 53 -48.578 -2.979 32.120 1.00 20.00 H new ATOM 982 N ALA A 54 -44.832 -4.275 39.646 1.00 20.00 N ATOM 983 CA ALA A 54 -44.283 -4.896 40.843 1.00 20.00 C ATOM 984 C ALA A 54 -45.384 -5.208 41.850 1.00 20.00 C ATOM 985 O ALA A 54 -45.257 -6.120 42.665 1.00 20.00 O ATOM 986 CB ALA A 54 -43.239 -3.988 41.471 1.00 20.00 C ATOM 0 H ALA A 54 -44.462 -3.344 39.453 1.00 20.00 H new ATOM 0 HA ALA A 54 -43.811 -5.835 40.554 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -42.835 -4.462 42.365 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -42.433 -3.812 40.758 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -43.699 -3.037 41.741 1.00 20.00 H new ATOM 992 N LYS A 55 -46.468 -4.452 41.784 1.00 20.00 N ATOM 993 CA LYS A 55 -47.608 -4.677 42.659 1.00 20.00 C ATOM 994 C LYS A 55 -48.451 -5.838 42.141 1.00 20.00 C ATOM 995 O LYS A 55 -48.995 -6.626 42.917 1.00 20.00 O ATOM 996 CB LYS A 55 -48.463 -3.413 42.743 1.00 20.00 C ATOM 997 CG LYS A 55 -47.690 -2.172 43.162 1.00 20.00 C ATOM 998 CD LYS A 55 -48.574 -0.942 43.126 1.00 20.00 C ATOM 999 CE LYS A 55 -47.805 0.317 43.492 1.00 20.00 C ATOM 1000 NZ LYS A 55 -48.659 1.529 43.407 1.00 20.00 N ATOM 0 H LYS A 55 -46.583 -3.676 41.132 1.00 20.00 H new ATOM 0 HA LYS A 55 -47.239 -4.925 43.654 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -48.922 -3.232 41.771 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -49.273 -3.581 43.452 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -47.293 -2.309 44.168 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -46.837 -2.030 42.499 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -49.001 -0.830 42.129 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -49.407 -1.073 43.817 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -47.410 0.221 44.503 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -46.950 0.427 42.825 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -48.099 2.367 43.664 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -49.015 1.635 42.436 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -49.461 1.435 44.062 1.00 20.00 H new ATOM 1014 N MET A 56 -48.537 -5.949 40.824 1.00 20.00 N ATOM 1015 CA MET A 56 -49.377 -6.956 40.191 1.00 20.00 C ATOM 1016 C MET A 56 -48.665 -8.302 40.113 1.00 20.00 C ATOM 1017 O MET A 56 -49.312 -9.346 40.074 1.00 20.00 O ATOM 1018 CB MET A 56 -49.801 -6.507 38.787 1.00 20.00 C ATOM 1019 CG MET A 56 -50.765 -5.326 38.769 1.00 20.00 C ATOM 1020 SD MET A 56 -50.027 -3.792 39.368 1.00 20.00 S ATOM 1021 CE MET A 56 -51.439 -2.691 39.306 1.00 20.00 C ATOM 0 H MET A 56 -48.033 -5.351 40.169 1.00 20.00 H new ATOM 0 HA MET A 56 -50.268 -7.074 40.808 1.00 20.00 H new ATOM 0 HB2 MET A 56 -48.910 -6.242 38.219 1.00 20.00 H new ATOM 0 HB3 MET A 56 -50.267 -7.349 38.275 1.00 20.00 H new ATOM 0 HG2 MET A 56 -51.124 -5.175 37.751 1.00 20.00 H new ATOM 0 HG3 MET A 56 -51.634 -5.566 39.381 1.00 20.00 H new ATOM 0 HE1 MET A 56 -51.142 -1.699 39.648 1.00 20.00 H new ATOM 0 HE2 MET A 56 -51.806 -2.627 38.282 1.00 20.00 H new ATOM 0 HE3 MET A 56 -52.229 -3.076 39.951 1.00 20.00 H new ATOM 1031 N ARG A 57 -47.333 -8.279 40.109 1.00 20.00 N ATOM 1032 CA ARG A 57 -46.550 -9.511 40.035 1.00 20.00 C ATOM 1033 C ARG A 57 -46.745 -10.340 41.298 1.00 20.00 C ATOM 1034 O ARG A 57 -46.504 -11.546 41.313 1.00 20.00 O ATOM 1035 CB ARG A 57 -45.059 -9.216 39.825 1.00 20.00 C ATOM 1036 CG ARG A 57 -44.370 -8.629 41.045 1.00 20.00 C ATOM 1037 CD ARG A 57 -42.891 -8.380 40.791 1.00 20.00 C ATOM 1038 NE ARG A 57 -42.228 -7.802 41.959 1.00 20.00 N ATOM 1039 CZ ARG A 57 -41.188 -6.971 41.892 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -40.707 -6.592 40.712 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -40.639 -6.511 43.008 1.00 20.00 N ATOM 0 H ARG A 57 -46.776 -7.426 40.156 1.00 20.00 H new ATOM 0 HA ARG A 57 -46.906 -10.079 39.176 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -44.552 -10.139 39.543 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -44.950 -8.524 38.990 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -44.854 -7.692 41.321 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -44.485 -9.308 41.890 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -42.405 -9.319 40.525 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -42.777 -7.709 39.939 1.00 20.00 H new ATOM 0 HE ARG A 57 -42.583 -8.050 42.882 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -41.134 -6.937 39.852 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -39.911 -5.956 40.666 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -41.013 -6.793 43.914 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -39.843 -5.875 42.960 1.00 20.00 H new