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 X(o=0,f=-0.49) USER MOD Single : A 19 ASN : amide:sc= -0.0532 K(o=-0.053,f=-1.2!) USER MOD Single : A 20 SER OG : rot -136:sc= 1.23 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0.39) 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) USER MOD Single : A 49 MET CE :methyl 162:sc= -0.07 (180deg=-0.59) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -163:sc= -0.0979 (180deg=-0.515) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -30.508 -1.800 0.391 1.00 20.00 N ATOM 365 CA GLU A 16 -29.721 -0.579 0.392 1.00 20.00 C ATOM 366 C GLU A 16 -28.634 -0.600 1.463 1.00 20.00 C ATOM 367 O GLU A 16 -27.448 -0.658 1.147 1.00 20.00 O ATOM 368 CB GLU A 16 -30.616 0.647 0.554 1.00 20.00 C ATOM 369 CG GLU A 16 -31.390 0.988 -0.707 1.00 20.00 C ATOM 370 CD GLU A 16 -30.486 1.126 -1.918 1.00 20.00 C ATOM 371 OE1 GLU A 16 -29.386 1.704 -1.785 1.00 20.00 O ATOM 372 OE2 GLU A 16 -30.862 0.637 -3.005 1.00 20.00 O ATOM 0 HA GLU A 16 -29.223 -0.518 -0.575 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.319 0.472 1.369 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.003 1.502 0.840 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.132 0.212 -0.897 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.935 1.920 -0.555 1.00 20.00 H new ATOM 379 N GLN A 17 -29.029 -0.563 2.726 1.00 20.00 N ATOM 380 CA GLN A 17 -28.059 -0.471 3.812 1.00 20.00 C ATOM 381 C GLN A 17 -27.620 -1.843 4.301 1.00 20.00 C ATOM 382 O GLN A 17 -26.481 -2.256 4.094 1.00 20.00 O ATOM 383 CB GLN A 17 -28.631 0.314 4.991 1.00 20.00 C ATOM 384 CG GLN A 17 -28.989 1.751 4.666 1.00 20.00 C ATOM 385 CD GLN A 17 -29.440 2.513 5.895 1.00 20.00 C ATOM 386 OE1 GLN A 17 -29.994 1.932 6.831 1.00 20.00 O ATOM 387 NE2 GLN A 17 -29.206 3.812 5.907 1.00 20.00 N ATOM 0 H GLN A 17 -30.004 -0.595 3.025 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.191 0.051 3.409 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -29.522 -0.197 5.355 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -27.905 0.307 5.804 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.125 2.250 4.226 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -29.781 1.767 3.918 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -28.745 4.254 5.112 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -29.486 4.373 6.711 1.00 20.00 H new ATOM 396 N GLU A 18 -28.529 -2.538 4.956 1.00 20.00 N ATOM 397 CA GLU A 18 -28.202 -3.786 5.623 1.00 20.00 C ATOM 398 C GLU A 18 -28.394 -4.973 4.690 1.00 20.00 C ATOM 399 O GLU A 18 -27.504 -5.803 4.540 1.00 20.00 O ATOM 400 CB GLU A 18 -29.040 -3.955 6.910 1.00 20.00 C ATOM 401 CG GLU A 18 -30.554 -4.031 6.702 1.00 20.00 C ATOM 402 CD GLU A 18 -31.140 -2.790 6.057 1.00 20.00 C ATOM 403 OE1 GLU A 18 -31.420 -1.812 6.776 1.00 20.00 O ATOM 404 OE2 GLU A 18 -31.310 -2.783 4.817 1.00 20.00 O ATOM 0 H GLU A 18 -29.506 -2.259 5.042 1.00 20.00 H new ATOM 0 HA GLU A 18 -27.150 -3.751 5.905 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.714 -4.862 7.419 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.823 -3.120 7.577 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -30.784 -4.897 6.081 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -31.037 -4.193 7.666 1.00 20.00 H new ATOM 411 N ASN A 19 -29.537 -5.021 4.026 1.00 20.00 N ATOM 412 CA ASN A 19 -29.894 -6.162 3.188 1.00 20.00 C ATOM 413 C ASN A 19 -28.956 -6.319 1.991 1.00 20.00 C ATOM 414 O ASN A 19 -28.948 -7.360 1.342 1.00 20.00 O ATOM 415 CB ASN A 19 -31.348 -6.057 2.728 1.00 20.00 C ATOM 416 CG ASN A 19 -32.328 -6.372 3.844 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.047 -7.185 4.722 1.00 20.00 O ATOM 418 ND2 ASN A 19 -33.479 -5.724 3.824 1.00 20.00 N ATOM 0 H ASN A 19 -30.239 -4.281 4.049 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.782 -7.058 3.799 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.537 -5.051 2.354 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.514 -6.742 1.897 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -34.171 -5.891 4.554 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.676 -5.057 3.078 1.00 20.00 H new ATOM 425 N SER A 20 -28.171 -5.294 1.696 1.00 20.00 N ATOM 426 CA SER A 20 -27.189 -5.383 0.624 1.00 20.00 C ATOM 427 C SER A 20 -26.007 -6.260 1.040 1.00 20.00 C ATOM 428 O SER A 20 -25.595 -7.159 0.305 1.00 20.00 O ATOM 429 CB SER A 20 -26.705 -3.987 0.243 1.00 20.00 C ATOM 430 OG SER A 20 -26.428 -3.223 1.401 1.00 20.00 O ATOM 0 H SER A 20 -28.193 -4.396 2.180 1.00 20.00 H new ATOM 0 HA SER A 20 -27.664 -5.843 -0.242 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.809 -4.062 -0.373 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.463 -3.485 -0.358 1.00 20.00 H new ATOM 0 HG SER A 20 -26.794 -2.320 1.293 1.00 20.00 H new ATOM 436 N TYR A 21 -25.477 -6.005 2.228 1.00 20.00 N ATOM 437 CA TYR A 21 -24.316 -6.739 2.716 1.00 20.00 C ATOM 438 C TYR A 21 -24.733 -7.967 3.519 1.00 20.00 C ATOM 439 O TYR A 21 -24.183 -9.052 3.334 1.00 20.00 O ATOM 440 CB TYR A 21 -23.433 -5.837 3.577 1.00 20.00 C ATOM 441 CG TYR A 21 -22.867 -4.640 2.844 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.987 -4.804 1.780 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.205 -3.346 3.221 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.464 -3.713 1.114 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.683 -2.253 2.562 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.814 -2.440 1.509 1.00 20.00 C ATOM 447 OH TYR A 21 -21.287 -1.348 0.856 1.00 20.00 O ATOM 0 H TYR A 21 -25.831 -5.297 2.871 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.749 -7.072 1.846 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.014 -5.485 4.429 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.608 -6.428 3.975 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.708 -5.800 1.470 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.888 -3.194 4.044 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.784 -3.857 0.287 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.954 -1.254 2.870 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.637 -0.526 1.258 1.00 20.00 H new ATOM 457 N ASN A 22 -25.713 -7.793 4.398 1.00 20.00 N ATOM 458 CA ASN A 22 -26.157 -8.866 5.288 1.00 20.00 C ATOM 459 C ASN A 22 -26.663 -10.070 4.501 1.00 20.00 C ATOM 460 O ASN A 22 -26.325 -11.206 4.818 1.00 20.00 O ATOM 461 CB ASN A 22 -27.244 -8.365 6.246 1.00 20.00 C ATOM 462 CG ASN A 22 -26.695 -7.469 7.345 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.534 -6.263 7.161 1.00 20.00 O ATOM 464 ND2 ASN A 22 -26.418 -8.048 8.502 1.00 20.00 N ATOM 0 H ASN A 22 -26.219 -6.915 4.516 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.294 -9.183 5.873 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.997 -7.817 5.679 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -27.746 -9.221 6.698 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -26.058 -7.492 9.278 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -26.564 -9.051 8.618 1.00 20.00 H new ATOM 471 N GLU A 23 -27.450 -9.822 3.462 1.00 20.00 N ATOM 472 CA GLU A 23 -27.988 -10.902 2.636 1.00 20.00 C ATOM 473 C GLU A 23 -26.862 -11.641 1.918 1.00 20.00 C ATOM 474 O GLU A 23 -26.920 -12.856 1.722 1.00 20.00 O ATOM 475 CB GLU A 23 -28.985 -10.341 1.621 1.00 20.00 C ATOM 476 CG GLU A 23 -29.608 -11.388 0.713 1.00 20.00 C ATOM 477 CD GLU A 23 -30.489 -10.776 -0.354 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.962 -10.394 -1.424 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.712 -10.670 -0.133 1.00 20.00 O ATOM 0 H GLU A 23 -27.731 -8.886 3.169 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.505 -11.610 3.284 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.780 -9.823 2.158 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.479 -9.597 1.005 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.818 -11.970 0.238 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.197 -12.081 1.313 1.00 20.00 H new ATOM 486 N TRP A 24 -25.834 -10.897 1.542 1.00 20.00 N ATOM 487 CA TRP A 24 -24.678 -11.463 0.864 1.00 20.00 C ATOM 488 C TRP A 24 -23.841 -12.284 1.845 1.00 20.00 C ATOM 489 O TRP A 24 -23.189 -13.259 1.468 1.00 20.00 O ATOM 490 CB TRP A 24 -23.845 -10.333 0.243 1.00 20.00 C ATOM 491 CG TRP A 24 -22.650 -10.804 -0.527 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.343 -10.544 -0.244 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.655 -11.616 -1.704 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.531 -11.143 -1.175 1.00 20.00 N ATOM 495 CE2 TRP A 24 -21.314 -11.809 -2.082 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.663 -12.201 -2.475 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -20.956 -12.559 -3.198 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -23.306 -12.945 -3.583 1.00 20.00 C ATOM 499 CH2 TRP A 24 -21.963 -13.120 -3.934 1.00 20.00 C ATOM 0 H TRP A 24 -25.777 -9.890 1.697 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.012 -12.129 0.068 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.483 -9.748 -0.420 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.512 -9.664 1.036 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.996 -9.953 0.591 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.512 -11.100 -1.189 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.702 -12.074 -2.210 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -19.920 -12.693 -3.473 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -24.077 -13.399 -4.188 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -21.716 -13.710 -4.804 1.00 20.00 H new ATOM 510 N LEU A 25 -23.886 -11.892 3.111 1.00 20.00 N ATOM 511 CA LEU A 25 -23.134 -12.569 4.157 1.00 20.00 C ATOM 512 C LEU A 25 -23.861 -13.842 4.591 1.00 20.00 C ATOM 513 O LEU A 25 -23.265 -14.920 4.652 1.00 20.00 O ATOM 514 CB LEU A 25 -22.931 -11.608 5.347 1.00 20.00 C ATOM 515 CG LEU A 25 -21.920 -12.035 6.427 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.488 -13.115 7.335 1.00 20.00 C ATOM 517 CD2 LEU A 25 -20.624 -12.507 5.789 1.00 20.00 C ATOM 0 H LEU A 25 -24.441 -11.102 3.440 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.155 -12.859 3.775 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.617 -10.642 4.952 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.897 -11.457 5.829 1.00 20.00 H new ATOM 0 HG LEU A 25 -21.712 -11.161 7.044 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.745 -13.389 8.083 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -23.382 -12.739 7.832 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -22.745 -13.992 6.741 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -19.922 -12.804 6.568 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -20.827 -13.358 5.139 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -20.192 -11.697 5.201 1.00 20.00 H new ATOM 529 N ARG A 26 -25.155 -13.711 4.869 1.00 20.00 N ATOM 530 CA ARG A 26 -25.960 -14.827 5.364 1.00 20.00 C ATOM 531 C ARG A 26 -26.004 -15.966 4.350 1.00 20.00 C ATOM 532 O ARG A 26 -25.942 -17.138 4.720 1.00 20.00 O ATOM 533 CB ARG A 26 -27.385 -14.362 5.690 1.00 20.00 C ATOM 534 CG ARG A 26 -27.450 -13.258 6.737 1.00 20.00 C ATOM 535 CD ARG A 26 -28.874 -12.762 6.950 1.00 20.00 C ATOM 536 NE ARG A 26 -29.709 -13.756 7.619 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.041 -13.715 7.651 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.699 -12.756 7.008 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.711 -14.644 8.320 1.00 20.00 N ATOM 0 H ARG A 26 -25.672 -12.839 4.760 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.490 -15.196 6.276 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.860 -14.009 4.774 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.964 -15.216 6.041 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.049 -13.628 7.681 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -26.818 -12.426 6.427 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -28.854 -11.848 7.543 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.316 -12.507 5.987 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.243 -14.531 8.092 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.185 -12.046 6.486 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.718 -12.730 7.036 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.207 -15.385 8.807 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.730 -14.617 8.348 1.00 20.00 H new ATOM 553 N ALA A 27 -26.080 -15.611 3.072 1.00 20.00 N ATOM 554 CA ALA A 27 -26.154 -16.598 2.001 1.00 20.00 C ATOM 555 C ALA A 27 -24.832 -17.337 1.834 1.00 20.00 C ATOM 556 O ALA A 27 -24.783 -18.425 1.257 1.00 20.00 O ATOM 557 CB ALA A 27 -26.545 -15.929 0.699 1.00 20.00 C ATOM 0 H ALA A 27 -26.092 -14.643 2.752 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.916 -17.329 2.272 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -26.597 -16.676 -0.093 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -27.519 -15.453 0.813 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -25.801 -15.176 0.439 1.00 20.00 H new ATOM 563 N LYS A 28 -23.762 -16.734 2.327 1.00 20.00 N ATOM 564 CA LYS A 28 -22.448 -17.352 2.268 1.00 20.00 C ATOM 565 C LYS A 28 -22.286 -18.334 3.421 1.00 20.00 C ATOM 566 O LYS A 28 -21.791 -19.450 3.237 1.00 20.00 O ATOM 567 CB LYS A 28 -21.345 -16.290 2.312 1.00 20.00 C ATOM 568 CG LYS A 28 -19.939 -16.866 2.214 1.00 20.00 C ATOM 569 CD LYS A 28 -18.889 -15.769 2.115 1.00 20.00 C ATOM 570 CE LYS A 28 -18.862 -14.885 3.357 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.928 -13.741 3.195 1.00 20.00 N ATOM 0 H LYS A 28 -23.778 -15.817 2.773 1.00 20.00 H new ATOM 0 HA LYS A 28 -22.359 -17.892 1.326 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.498 -15.586 1.494 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.433 -15.725 3.240 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.737 -17.485 3.088 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.871 -17.515 1.341 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -17.907 -16.220 1.970 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.090 -15.154 1.238 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.865 -14.510 3.559 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.564 -15.479 4.221 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.936 -13.162 4.059 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.966 -14.099 3.027 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.228 -13.160 2.386 1.00 20.00 H new ATOM 585 N VAL A 29 -22.716 -17.914 4.606 1.00 20.00 N ATOM 586 CA VAL A 29 -22.682 -18.771 5.783 1.00 20.00 C ATOM 587 C VAL A 29 -23.577 -19.987 5.577 1.00 20.00 C ATOM 588 O VAL A 29 -23.167 -21.126 5.810 1.00 20.00 O ATOM 589 CB VAL A 29 -23.132 -18.008 7.050 1.00 20.00 C ATOM 590 CG1 VAL A 29 -23.218 -18.944 8.248 1.00 20.00 C ATOM 591 CG2 VAL A 29 -22.186 -16.854 7.342 1.00 20.00 C ATOM 0 H VAL A 29 -23.093 -16.982 4.776 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.651 -19.096 5.925 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.127 -17.602 6.865 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -23.537 -18.383 9.126 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -23.940 -19.734 8.041 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -22.239 -19.386 8.435 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -22.519 -16.328 8.237 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -21.179 -17.240 7.501 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.181 -16.165 6.497 1.00 20.00 H new ATOM 772 N HIS A 42 -30.699 -16.653 13.876 1.00 20.00 N ATOM 773 CA HIS A 42 -29.545 -17.549 13.932 1.00 20.00 C ATOM 774 C HIS A 42 -28.474 -17.009 14.869 1.00 20.00 C ATOM 775 O HIS A 42 -27.745 -17.776 15.491 1.00 20.00 O ATOM 776 CB HIS A 42 -28.958 -17.774 12.532 1.00 20.00 C ATOM 777 CG HIS A 42 -29.885 -18.491 11.597 1.00 20.00 C ATOM 778 ND1 HIS A 42 -30.820 -17.842 10.819 1.00 20.00 N ATOM 779 CD2 HIS A 42 -30.018 -19.809 11.317 1.00 20.00 C ATOM 780 CE1 HIS A 42 -31.486 -18.727 10.104 1.00 20.00 C ATOM 781 NE2 HIS A 42 -31.020 -19.927 10.386 1.00 20.00 N ATOM 0 HA HIS A 42 -29.891 -18.506 14.322 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -28.695 -16.809 12.099 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -28.034 -18.346 12.623 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -29.443 -20.617 11.746 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -32.279 -18.506 9.405 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -31.350 -20.802 9.979 1.00 20.00 H new ATOM 790 N ASP A 43 -28.399 -15.687 14.981 1.00 20.00 N ATOM 791 CA ASP A 43 -27.440 -15.048 15.876 1.00 20.00 C ATOM 792 C ASP A 43 -27.777 -15.373 17.322 1.00 20.00 C ATOM 793 O ASP A 43 -26.892 -15.521 18.162 1.00 20.00 O ATOM 794 CB ASP A 43 -27.445 -13.531 15.683 1.00 20.00 C ATOM 795 CG ASP A 43 -27.281 -13.130 14.236 1.00 20.00 C ATOM 796 OD1 ASP A 43 -28.302 -13.063 13.520 1.00 20.00 O ATOM 797 OD2 ASP A 43 -26.139 -12.874 13.805 1.00 20.00 O ATOM 0 H ASP A 43 -28.991 -15.037 14.463 1.00 20.00 H new ATOM 0 HA ASP A 43 -26.448 -15.431 15.638 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -28.380 -13.123 16.066 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -26.640 -13.091 16.272 1.00 20.00 H new ATOM 802 N GLU A 44 -29.068 -15.500 17.594 1.00 20.00 N ATOM 803 CA GLU A 44 -29.542 -15.810 18.932 1.00 20.00 C ATOM 804 C GLU A 44 -29.265 -17.275 19.248 1.00 20.00 C ATOM 805 O GLU A 44 -28.897 -17.625 20.370 1.00 20.00 O ATOM 806 CB GLU A 44 -31.042 -15.519 19.040 1.00 20.00 C ATOM 807 CG GLU A 44 -31.579 -15.584 20.456 1.00 20.00 C ATOM 808 CD GLU A 44 -31.124 -14.413 21.300 1.00 20.00 C ATOM 809 OE1 GLU A 44 -30.007 -14.465 21.855 1.00 20.00 O ATOM 810 OE2 GLU A 44 -31.883 -13.429 21.408 1.00 20.00 O ATOM 0 H GLU A 44 -29.808 -15.392 16.901 1.00 20.00 H new ATOM 0 HA GLU A 44 -29.014 -15.185 19.652 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -31.240 -14.528 18.632 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -31.586 -16.233 18.422 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -32.668 -15.606 20.428 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -31.253 -16.513 20.923 1.00 20.00 H new ATOM 817 N VAL A 45 -29.430 -18.127 18.240 1.00 20.00 N ATOM 818 CA VAL A 45 -29.167 -19.551 18.391 1.00 20.00 C ATOM 819 C VAL A 45 -27.694 -19.797 18.685 1.00 20.00 C ATOM 820 O VAL A 45 -27.357 -20.478 19.649 1.00 20.00 O ATOM 821 CB VAL A 45 -29.573 -20.349 17.137 1.00 20.00 C ATOM 822 CG1 VAL A 45 -29.267 -21.828 17.323 1.00 20.00 C ATOM 823 CG2 VAL A 45 -31.046 -20.139 16.824 1.00 20.00 C ATOM 0 H VAL A 45 -29.745 -17.853 17.309 1.00 20.00 H new ATOM 0 HA VAL A 45 -29.773 -19.896 19.229 1.00 20.00 H new ATOM 0 HB VAL A 45 -28.990 -19.983 16.292 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -29.560 -22.376 16.427 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -28.199 -21.960 17.495 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -29.822 -22.210 18.180 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -31.314 -20.710 15.935 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -31.649 -20.476 17.667 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -31.232 -19.080 16.645 1.00 20.00 H new ATOM 833 N GLU A 46 -26.821 -19.220 17.861 1.00 20.00 N ATOM 834 CA GLU A 46 -25.373 -19.351 18.054 1.00 20.00 C ATOM 835 C GLU A 46 -24.965 -18.838 19.432 1.00 20.00 C ATOM 836 O GLU A 46 -23.987 -19.303 20.021 1.00 20.00 O ATOM 837 CB GLU A 46 -24.602 -18.589 16.971 1.00 20.00 C ATOM 838 CG GLU A 46 -24.867 -19.090 15.559 1.00 20.00 C ATOM 839 CD GLU A 46 -24.377 -20.505 15.340 1.00 20.00 C ATOM 840 OE1 GLU A 46 -23.156 -20.690 15.156 1.00 20.00 O ATOM 841 OE2 GLU A 46 -25.206 -21.442 15.350 1.00 20.00 O ATOM 0 H GLU A 46 -27.088 -18.657 17.053 1.00 20.00 H new ATOM 0 HA GLU A 46 -25.124 -20.410 17.980 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -24.865 -17.533 17.027 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -23.534 -18.663 17.178 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -25.937 -19.045 15.357 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -24.379 -18.426 14.845 1.00 20.00 H new ATOM 848 N ARG A 47 -25.724 -17.879 19.936 1.00 20.00 N ATOM 849 CA ARG A 47 -25.494 -17.324 21.260 1.00 20.00 C ATOM 850 C ARG A 47 -25.890 -18.327 22.345 1.00 20.00 C ATOM 851 O ARG A 47 -25.051 -18.757 23.137 1.00 20.00 O ATOM 852 CB ARG A 47 -26.280 -16.021 21.416 1.00 20.00 C ATOM 853 CG ARG A 47 -26.188 -15.394 22.798 1.00 20.00 C ATOM 854 CD ARG A 47 -26.913 -14.060 22.839 1.00 20.00 C ATOM 855 NE ARG A 47 -26.308 -13.086 21.933 1.00 20.00 N ATOM 856 CZ ARG A 47 -26.977 -12.406 20.999 1.00 20.00 C ATOM 857 NH1 ARG A 47 -28.275 -12.622 20.802 1.00 20.00 N ATOM 858 NH2 ARG A 47 -26.340 -11.516 20.252 1.00 20.00 N ATOM 0 H ARG A 47 -26.514 -17.465 19.441 1.00 20.00 H new ATOM 0 HA ARG A 47 -24.431 -17.112 21.373 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -25.919 -15.303 20.680 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -27.328 -16.213 21.187 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -26.619 -16.069 23.537 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -25.142 -15.252 23.068 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -27.959 -14.206 22.570 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -26.897 -13.669 23.856 1.00 20.00 H new ATOM 0 HE ARG A 47 -25.306 -12.914 22.020 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -28.769 -13.313 21.367 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -28.776 -12.097 20.086 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -25.343 -11.353 20.392 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -26.847 -10.994 19.537 1.00 20.00 H new ATOM 872 N ARG A 48 -27.159 -18.717 22.359 1.00 20.00 N ATOM 873 CA ARG A 48 -27.682 -19.598 23.400 1.00 20.00 C ATOM 874 C ARG A 48 -27.032 -20.980 23.336 1.00 20.00 C ATOM 875 O ARG A 48 -26.734 -21.583 24.364 1.00 20.00 O ATOM 876 CB ARG A 48 -29.201 -19.724 23.266 1.00 20.00 C ATOM 877 CG ARG A 48 -29.878 -20.392 24.456 1.00 20.00 C ATOM 878 CD ARG A 48 -29.647 -19.618 25.747 1.00 20.00 C ATOM 879 NE ARG A 48 -30.569 -20.033 26.804 1.00 20.00 N ATOM 880 CZ ARG A 48 -30.663 -19.435 27.993 1.00 20.00 C ATOM 881 NH1 ARG A 48 -29.805 -18.483 28.340 1.00 20.00 N ATOM 882 NH2 ARG A 48 -31.598 -19.818 28.852 1.00 20.00 N ATOM 0 H ARG A 48 -27.847 -18.437 21.660 1.00 20.00 H new ATOM 0 HA ARG A 48 -27.441 -19.158 24.368 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -29.627 -18.730 23.131 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -29.429 -20.294 22.365 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -30.949 -20.472 24.267 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -29.497 -21.407 24.568 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -28.620 -19.768 26.081 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -29.768 -18.551 25.558 1.00 20.00 H new ATOM 0 HE ARG A 48 -31.179 -20.830 26.621 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -29.066 -18.203 27.695 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -29.885 -18.032 29.251 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -32.243 -20.568 28.603 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -31.672 -19.363 29.762 1.00 20.00 H new ATOM 896 N MET A 49 -26.795 -21.463 22.123 1.00 20.00 N ATOM 897 CA MET A 49 -26.215 -22.787 21.918 1.00 20.00 C ATOM 898 C MET A 49 -24.801 -22.856 22.485 1.00 20.00 C ATOM 899 O MET A 49 -24.346 -23.914 22.921 1.00 20.00 O ATOM 900 CB MET A 49 -26.196 -23.134 20.429 1.00 20.00 C ATOM 901 CG MET A 49 -25.791 -24.568 20.139 1.00 20.00 C ATOM 902 SD MET A 49 -26.923 -25.774 20.859 1.00 20.00 S ATOM 903 CE MET A 49 -28.435 -25.388 19.979 1.00 20.00 C ATOM 0 H MET A 49 -26.996 -20.956 21.261 1.00 20.00 H new ATOM 0 HA MET A 49 -26.835 -23.512 22.445 1.00 20.00 H new ATOM 0 HB2 MET A 49 -27.187 -22.954 20.011 1.00 20.00 H new ATOM 0 HB3 MET A 49 -25.508 -22.461 19.918 1.00 20.00 H new ATOM 0 HG2 MET A 49 -25.747 -24.717 19.060 1.00 20.00 H new ATOM 0 HG3 MET A 49 -24.787 -24.743 20.526 1.00 20.00 H new ATOM 0 HE1 MET A 49 -29.129 -26.224 20.064 1.00 20.00 H new ATOM 0 HE2 MET A 49 -28.888 -24.495 20.409 1.00 20.00 H new ATOM 0 HE3 MET A 49 -28.209 -25.210 18.928 1.00 20.00 H new ATOM 913 N ALA A 50 -24.120 -21.718 22.488 1.00 20.00 N ATOM 914 CA ALA A 50 -22.758 -21.637 22.993 1.00 20.00 C ATOM 915 C ALA A 50 -22.691 -22.043 24.460 1.00 20.00 C ATOM 916 O ALA A 50 -21.887 -22.898 24.843 1.00 20.00 O ATOM 917 CB ALA A 50 -22.213 -20.232 22.809 1.00 20.00 C ATOM 0 H ALA A 50 -24.493 -20.833 22.144 1.00 20.00 H new ATOM 0 HA ALA A 50 -22.143 -22.333 22.423 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -21.193 -20.184 23.191 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -22.216 -19.976 21.749 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -22.838 -19.525 23.355 1.00 20.00 H new ATOM 923 N GLU A 51 -23.549 -21.443 25.276 1.00 20.00 N ATOM 924 CA GLU A 51 -23.569 -21.747 26.699 1.00 20.00 C ATOM 925 C GLU A 51 -24.175 -23.124 26.942 1.00 20.00 C ATOM 926 O GLU A 51 -23.843 -23.790 27.916 1.00 20.00 O ATOM 927 CB GLU A 51 -24.332 -20.677 27.490 1.00 20.00 C ATOM 928 CG GLU A 51 -25.837 -20.682 27.272 1.00 20.00 C ATOM 929 CD GLU A 51 -26.559 -19.740 28.213 1.00 20.00 C ATOM 930 OE1 GLU A 51 -26.702 -20.078 29.408 1.00 20.00 O ATOM 931 OE2 GLU A 51 -26.977 -18.652 27.767 1.00 20.00 O ATOM 0 H GLU A 51 -24.235 -20.749 24.979 1.00 20.00 H new ATOM 0 HA GLU A 51 -22.538 -21.750 27.053 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -24.131 -20.817 28.552 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -23.942 -19.696 27.219 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -26.053 -20.399 26.242 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -26.218 -21.694 27.411 1.00 20.00 H new ATOM 938 N ARG A 52 -25.055 -23.551 26.043 1.00 20.00 N ATOM 939 CA ARG A 52 -25.658 -24.876 26.135 1.00 20.00 C ATOM 940 C ARG A 52 -24.598 -25.958 25.981 1.00 20.00 C ATOM 941 O ARG A 52 -24.573 -26.926 26.735 1.00 20.00 O ATOM 942 CB ARG A 52 -26.746 -25.062 25.073 1.00 20.00 C ATOM 943 CG ARG A 52 -28.018 -24.265 25.332 1.00 20.00 C ATOM 944 CD ARG A 52 -28.703 -24.701 26.619 1.00 20.00 C ATOM 945 NE ARG A 52 -29.044 -26.123 26.604 1.00 20.00 N ATOM 946 CZ ARG A 52 -29.533 -26.782 27.653 1.00 20.00 C ATOM 947 NH1 ARG A 52 -29.744 -26.151 28.799 1.00 20.00 N ATOM 948 NH2 ARG A 52 -29.812 -28.074 27.552 1.00 20.00 N ATOM 0 H ARG A 52 -25.366 -23.000 25.243 1.00 20.00 H new ATOM 0 HA ARG A 52 -26.117 -24.964 27.120 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -26.342 -24.774 24.102 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -27.000 -26.120 25.012 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -27.777 -23.204 25.390 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -28.704 -24.391 24.494 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -28.049 -24.494 27.466 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -29.609 -24.113 26.765 1.00 20.00 H new ATOM 0 HE ARG A 52 -28.899 -26.641 25.738 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -29.532 -25.157 28.880 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -30.119 -26.660 29.600 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -29.652 -28.563 26.671 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -30.186 -28.579 28.355 1.00 20.00 H new ATOM 962 N PHE A 53 -23.715 -25.775 25.006 1.00 20.00 N ATOM 963 CA PHE A 53 -22.650 -26.734 24.746 1.00 20.00 C ATOM 964 C PHE A 53 -21.680 -26.794 25.926 1.00 20.00 C ATOM 965 O PHE A 53 -21.172 -27.863 26.276 1.00 20.00 O ATOM 966 CB PHE A 53 -21.905 -26.354 23.461 1.00 20.00 C ATOM 967 CG PHE A 53 -20.872 -27.363 23.036 1.00 20.00 C ATOM 968 CD1 PHE A 53 -21.252 -28.568 22.465 1.00 20.00 C ATOM 969 CD2 PHE A 53 -19.521 -27.103 23.203 1.00 20.00 C ATOM 970 CE1 PHE A 53 -20.305 -29.492 22.071 1.00 20.00 C ATOM 971 CE2 PHE A 53 -18.570 -28.024 22.811 1.00 20.00 C ATOM 972 CZ PHE A 53 -18.962 -29.220 22.244 1.00 20.00 C ATOM 0 H PHE A 53 -23.717 -24.969 24.381 1.00 20.00 H new ATOM 0 HA PHE A 53 -23.093 -27.722 24.618 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -22.629 -26.228 22.656 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -21.419 -25.389 23.606 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -22.301 -28.786 22.327 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -19.208 -26.169 23.645 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -20.614 -30.427 21.628 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -17.521 -27.809 22.948 1.00 20.00 H new ATOM 0 HZ PHE A 53 -18.220 -29.942 21.936 1.00 20.00 H new ATOM 982 N ALA A 54 -21.443 -25.642 26.542 1.00 20.00 N ATOM 983 CA ALA A 54 -20.548 -25.553 27.687 1.00 20.00 C ATOM 984 C ALA A 54 -21.198 -26.149 28.933 1.00 20.00 C ATOM 985 O ALA A 54 -20.576 -26.927 29.659 1.00 20.00 O ATOM 986 CB ALA A 54 -20.152 -24.105 27.930 1.00 20.00 C ATOM 0 H ALA A 54 -21.861 -24.754 26.265 1.00 20.00 H new ATOM 0 HA ALA A 54 -19.649 -26.130 27.469 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -19.483 -24.050 28.789 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -19.644 -23.714 27.048 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -21.045 -23.512 28.128 1.00 20.00 H new ATOM 992 N LYS A 55 -22.459 -25.797 29.159 1.00 20.00 N ATOM 993 CA LYS A 55 -23.209 -26.295 30.306 1.00 20.00 C ATOM 994 C LYS A 55 -23.447 -27.799 30.183 1.00 20.00 C ATOM 995 O LYS A 55 -23.646 -28.494 31.181 1.00 20.00 O ATOM 996 CB LYS A 55 -24.539 -25.541 30.425 1.00 20.00 C ATOM 997 CG LYS A 55 -25.375 -25.935 31.635 1.00 20.00 C ATOM 998 CD LYS A 55 -26.627 -25.083 31.758 1.00 20.00 C ATOM 999 CE LYS A 55 -26.294 -23.615 32.000 1.00 20.00 C ATOM 1000 NZ LYS A 55 -27.518 -22.796 32.190 1.00 20.00 N ATOM 0 H LYS A 55 -22.986 -25.164 28.558 1.00 20.00 H new ATOM 0 HA LYS A 55 -22.626 -26.122 31.211 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -24.334 -24.471 30.472 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -25.124 -25.714 29.522 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -25.656 -26.985 31.556 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -24.776 -25.833 32.540 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -27.220 -25.176 30.848 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -27.241 -25.456 32.578 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -25.658 -23.527 32.880 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -25.725 -23.227 31.155 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -27.250 -21.804 32.352 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -28.114 -22.860 31.340 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -28.048 -23.150 33.012 1.00 20.00 H new ATOM 1014 N MET A 56 -23.410 -28.294 28.950 1.00 20.00 N ATOM 1015 CA MET A 56 -23.544 -29.722 28.684 1.00 20.00 C ATOM 1016 C MET A 56 -22.349 -30.481 29.255 1.00 20.00 C ATOM 1017 O MET A 56 -22.468 -31.638 29.666 1.00 20.00 O ATOM 1018 CB MET A 56 -23.660 -29.974 27.176 1.00 20.00 C ATOM 1019 CG MET A 56 -23.849 -31.437 26.806 1.00 20.00 C ATOM 1020 SD MET A 56 -23.798 -31.721 25.023 1.00 20.00 S ATOM 1021 CE MET A 56 -25.154 -30.685 24.473 1.00 20.00 C ATOM 0 H MET A 56 -23.287 -27.723 28.114 1.00 20.00 H new ATOM 0 HA MET A 56 -24.451 -30.082 29.169 1.00 20.00 H new ATOM 0 HB2 MET A 56 -24.500 -29.400 26.786 1.00 20.00 H new ATOM 0 HB3 MET A 56 -22.762 -29.599 26.685 1.00 20.00 H new ATOM 0 HG2 MET A 56 -23.072 -32.032 27.286 1.00 20.00 H new ATOM 0 HG3 MET A 56 -24.805 -31.785 27.197 1.00 20.00 H new ATOM 0 HE1 MET A 56 -25.446 -30.974 23.463 1.00 20.00 H new ATOM 0 HE2 MET A 56 -26.003 -30.809 25.146 1.00 20.00 H new ATOM 0 HE3 MET A 56 -24.839 -29.642 24.475 1.00 20.00 H new ATOM 1031 N ARG A 57 -21.195 -29.823 29.276 1.00 20.00 N ATOM 1032 CA ARG A 57 -20.000 -30.396 29.880 1.00 20.00 C ATOM 1033 C ARG A 57 -20.052 -30.235 31.389 1.00 20.00 C ATOM 1034 O ARG A 57 -19.482 -31.041 32.127 1.00 20.00 O ATOM 1035 CB ARG A 57 -18.732 -29.734 29.338 1.00 20.00 C ATOM 1036 CG ARG A 57 -18.456 -30.041 27.879 1.00 20.00 C ATOM 1037 CD ARG A 57 -17.147 -29.419 27.423 1.00 20.00 C ATOM 1038 NE ARG A 57 -16.826 -29.762 26.041 1.00 20.00 N ATOM 1039 CZ ARG A 57 -15.916 -29.123 25.309 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -15.236 -28.106 25.828 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -15.686 -29.505 24.062 1.00 20.00 N ATOM 0 H ARG A 57 -21.063 -28.892 28.881 1.00 20.00 H new ATOM 0 HA ARG A 57 -19.971 -31.455 29.625 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -18.815 -28.654 29.463 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -17.880 -30.059 29.935 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -18.419 -31.121 27.733 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -19.274 -29.664 27.265 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -17.208 -28.335 27.522 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -16.341 -29.754 28.075 1.00 20.00 H new ATOM 0 HE ARG A 57 -17.329 -30.538 25.610 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -15.411 -27.813 26.789 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -14.539 -27.618 25.265 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -16.206 -30.287 23.664 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -14.989 -29.017 23.499 1.00 20.00 H new