USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=6 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= -0.114 K(o=-0.11,f=-0.73) USER MOD Single : A 19 ASN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 20 SER OG : rot 78:sc= 0.311 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.0445 (180deg=-0.306) USER MOD Single : A 42 HIS : no HD1:sc= -0.03 X(o=-0.03,f=-0.002) USER MOD Single : A 49 MET CE :methyl 145:sc= -0.0554 (180deg=-0.803) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0.904 (180deg=0.876) USER MOD Single : A 56 MET CE :methyl -161:sc= -0.0936 (180deg=-0.54) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -29.667 1.206 2.674 1.00 20.00 N ATOM 365 CA GLU A 16 -30.310 0.062 2.060 1.00 20.00 C ATOM 366 C GLU A 16 -29.274 -0.992 1.699 1.00 20.00 C ATOM 367 O GLU A 16 -29.557 -2.193 1.711 1.00 20.00 O ATOM 368 CB GLU A 16 -31.092 0.506 0.828 1.00 20.00 C ATOM 369 CG GLU A 16 -32.140 1.565 1.135 1.00 20.00 C ATOM 370 CD GLU A 16 -33.143 1.108 2.175 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.873 1.263 3.389 1.00 20.00 O ATOM 372 OE2 GLU A 16 -34.211 0.595 1.786 1.00 20.00 O ATOM 0 HA GLU A 16 -31.009 -0.381 2.769 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.397 0.897 0.085 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -31.580 -0.361 0.383 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -31.645 2.470 1.486 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.667 1.826 0.217 1.00 20.00 H new ATOM 379 N GLN A 17 -28.061 -0.539 1.412 1.00 20.00 N ATOM 380 CA GLN A 17 -26.955 -1.445 1.141 1.00 20.00 C ATOM 381 C GLN A 17 -26.618 -2.244 2.396 1.00 20.00 C ATOM 382 O GLN A 17 -26.166 -3.383 2.320 1.00 20.00 O ATOM 383 CB GLN A 17 -25.725 -0.670 0.650 1.00 20.00 C ATOM 384 CG GLN A 17 -24.512 -1.552 0.386 1.00 20.00 C ATOM 385 CD GLN A 17 -24.802 -2.677 -0.590 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.633 -2.541 -1.488 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.124 -3.801 -0.418 1.00 20.00 N ATOM 0 H GLN A 17 -27.819 0.451 1.361 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.255 -2.136 0.353 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.983 -0.138 -0.266 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.461 0.083 1.392 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -23.701 -0.938 -0.005 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.165 -1.976 1.328 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -23.443 -3.875 0.338 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.282 -4.593 -1.042 1.00 20.00 H new ATOM 396 N GLU A 18 -26.876 -1.643 3.547 1.00 20.00 N ATOM 397 CA GLU A 18 -26.624 -2.284 4.831 1.00 20.00 C ATOM 398 C GLU A 18 -27.549 -3.482 5.012 1.00 20.00 C ATOM 399 O GLU A 18 -27.131 -4.541 5.475 1.00 20.00 O ATOM 400 CB GLU A 18 -26.833 -1.272 5.960 1.00 20.00 C ATOM 401 CG GLU A 18 -26.596 -1.811 7.358 1.00 20.00 C ATOM 402 CD GLU A 18 -26.924 -0.782 8.416 1.00 20.00 C ATOM 403 OE1 GLU A 18 -28.103 -0.699 8.820 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.012 -0.041 8.841 1.00 20.00 O ATOM 0 H GLU A 18 -27.264 -0.702 3.619 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.594 -2.638 4.859 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.167 -0.425 5.796 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.853 -0.891 5.902 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.206 -2.701 7.514 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.555 -2.117 7.458 1.00 20.00 H new ATOM 411 N ASN A 19 -28.805 -3.314 4.614 1.00 20.00 N ATOM 412 CA ASN A 19 -29.786 -4.389 4.725 1.00 20.00 C ATOM 413 C ASN A 19 -29.560 -5.429 3.642 1.00 20.00 C ATOM 414 O ASN A 19 -29.641 -6.626 3.899 1.00 20.00 O ATOM 415 CB ASN A 19 -31.220 -3.852 4.643 1.00 20.00 C ATOM 416 CG ASN A 19 -31.736 -3.320 5.968 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.936 -3.373 6.242 1.00 20.00 O ATOM 418 ND2 ASN A 19 -30.843 -2.805 6.798 1.00 20.00 N ATOM 0 H ASN A 19 -29.167 -2.449 4.214 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.654 -4.855 5.702 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.261 -3.057 3.899 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.880 -4.647 4.297 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.140 -2.434 7.701 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -29.858 -2.779 6.535 1.00 20.00 H new ATOM 425 N SER A 20 -29.249 -4.969 2.434 1.00 20.00 N ATOM 426 CA SER A 20 -28.992 -5.869 1.314 1.00 20.00 C ATOM 427 C SER A 20 -27.674 -6.619 1.500 1.00 20.00 C ATOM 428 O SER A 20 -27.382 -7.576 0.783 1.00 20.00 O ATOM 429 CB SER A 20 -28.971 -5.085 0.002 1.00 20.00 C ATOM 430 OG SER A 20 -30.208 -4.424 -0.216 1.00 20.00 O ATOM 0 H SER A 20 -29.169 -3.978 2.205 1.00 20.00 H new ATOM 0 HA SER A 20 -29.797 -6.603 1.279 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.163 -4.354 0.024 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.765 -5.762 -0.827 1.00 20.00 H new ATOM 0 HG SER A 20 -30.247 -3.614 0.334 1.00 20.00 H new ATOM 436 N TYR A 21 -26.875 -6.173 2.458 1.00 20.00 N ATOM 437 CA TYR A 21 -25.619 -6.833 2.770 1.00 20.00 C ATOM 438 C TYR A 21 -25.874 -8.101 3.581 1.00 20.00 C ATOM 439 O TYR A 21 -25.023 -8.989 3.655 1.00 20.00 O ATOM 440 CB TYR A 21 -24.695 -5.878 3.535 1.00 20.00 C ATOM 441 CG TYR A 21 -23.328 -6.451 3.823 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.436 -6.722 2.791 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.931 -6.731 5.122 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.187 -7.253 3.050 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.686 -7.263 5.388 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.818 -7.522 4.350 1.00 20.00 C ATOM 447 OH TYR A 21 -19.577 -8.058 4.615 1.00 20.00 O ATOM 0 H TYR A 21 -27.076 -5.355 3.033 1.00 20.00 H new ATOM 0 HA TYR A 21 -25.129 -7.115 1.838 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.580 -4.960 2.959 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.170 -5.605 4.477 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.724 -6.514 1.771 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.608 -6.529 5.939 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.504 -7.456 2.238 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.393 -7.475 6.406 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.475 -8.186 5.581 1.00 20.00 H new ATOM 457 N ASN A 22 -27.061 -8.190 4.173 1.00 20.00 N ATOM 458 CA ASN A 22 -27.440 -9.360 4.960 1.00 20.00 C ATOM 459 C ASN A 22 -27.470 -10.608 4.085 1.00 20.00 C ATOM 460 O ASN A 22 -27.078 -11.689 4.518 1.00 20.00 O ATOM 461 CB ASN A 22 -28.803 -9.153 5.630 1.00 20.00 C ATOM 462 CG ASN A 22 -29.243 -10.363 6.433 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.934 -11.245 5.923 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.847 -10.417 7.695 1.00 20.00 N ATOM 0 H ASN A 22 -27.778 -7.466 4.123 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.691 -9.496 5.740 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.754 -8.284 6.286 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.550 -8.935 4.867 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.114 -11.209 8.280 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.275 -9.667 8.083 1.00 20.00 H new ATOM 471 N GLU A 23 -27.925 -10.446 2.845 1.00 20.00 N ATOM 472 CA GLU A 23 -27.938 -11.542 1.882 1.00 20.00 C ATOM 473 C GLU A 23 -26.527 -12.064 1.640 1.00 20.00 C ATOM 474 O GLU A 23 -26.316 -13.270 1.493 1.00 20.00 O ATOM 475 CB GLU A 23 -28.563 -11.095 0.559 1.00 20.00 C ATOM 476 CG GLU A 23 -30.084 -11.114 0.554 1.00 20.00 C ATOM 477 CD GLU A 23 -30.699 -10.302 1.669 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.392 -9.098 1.771 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.496 -10.868 2.450 1.00 20.00 O ATOM 0 H GLU A 23 -28.290 -9.565 2.484 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.543 -12.347 2.300 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.222 -10.085 0.331 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.199 -11.742 -0.239 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.441 -10.733 -0.403 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.427 -12.145 0.634 1.00 20.00 H new ATOM 486 N TRP A 24 -25.567 -11.150 1.612 1.00 20.00 N ATOM 487 CA TRP A 24 -24.171 -11.510 1.426 1.00 20.00 C ATOM 488 C TRP A 24 -23.674 -12.300 2.634 1.00 20.00 C ATOM 489 O TRP A 24 -23.010 -13.325 2.489 1.00 20.00 O ATOM 490 CB TRP A 24 -23.321 -10.252 1.209 1.00 20.00 C ATOM 491 CG TRP A 24 -21.886 -10.543 0.902 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.840 -10.523 1.778 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.338 -10.896 -0.372 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.676 -10.842 1.126 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.955 -11.075 -0.195 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.883 -11.079 -1.646 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.109 -11.427 -1.243 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.043 -11.428 -2.685 1.00 20.00 C ATOM 499 CH2 TRP A 24 -19.670 -11.600 -2.479 1.00 20.00 C ATOM 0 H TRP A 24 -25.732 -10.149 1.716 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.079 -12.137 0.539 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.748 -9.672 0.391 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.374 -9.630 2.102 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.917 -10.290 2.830 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.752 -10.897 1.555 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.942 -10.950 -1.815 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.049 -11.559 -1.086 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.453 -11.571 -3.674 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -19.040 -11.875 -3.312 1.00 20.00 H new ATOM 510 N LEU A 25 -24.026 -11.827 3.827 1.00 20.00 N ATOM 511 CA LEU A 25 -23.667 -12.513 5.061 1.00 20.00 C ATOM 512 C LEU A 25 -24.285 -13.906 5.097 1.00 20.00 C ATOM 513 O LEU A 25 -23.606 -14.886 5.389 1.00 20.00 O ATOM 514 CB LEU A 25 -24.132 -11.709 6.278 1.00 20.00 C ATOM 515 CG LEU A 25 -23.450 -10.354 6.471 1.00 20.00 C ATOM 516 CD1 LEU A 25 -24.096 -9.591 7.619 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.960 -10.535 6.731 1.00 20.00 C ATOM 0 H LEU A 25 -24.561 -10.969 3.963 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.581 -12.606 5.093 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.207 -11.547 6.196 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.968 -12.310 7.173 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.574 -9.776 5.555 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.598 -8.629 7.742 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -25.151 -9.428 7.399 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -24.002 -10.169 8.538 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.493 -9.559 6.866 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.818 -11.133 7.631 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.502 -11.043 5.882 1.00 20.00 H new ATOM 529 N ARG A 26 -25.572 -13.980 4.776 1.00 20.00 N ATOM 530 CA ARG A 26 -26.302 -15.244 4.763 1.00 20.00 C ATOM 531 C ARG A 26 -25.616 -16.267 3.863 1.00 20.00 C ATOM 532 O ARG A 26 -25.489 -17.438 4.224 1.00 20.00 O ATOM 533 CB ARG A 26 -27.741 -15.014 4.293 1.00 20.00 C ATOM 534 CG ARG A 26 -28.557 -16.292 4.161 1.00 20.00 C ATOM 535 CD ARG A 26 -29.947 -16.009 3.617 1.00 20.00 C ATOM 536 NE ARG A 26 -30.719 -17.232 3.424 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.930 -17.267 2.875 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.505 -16.150 2.448 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.567 -18.424 2.748 1.00 20.00 N ATOM 0 H ARG A 26 -26.137 -13.171 4.519 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.313 -15.639 5.779 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.240 -14.346 4.995 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.721 -14.506 3.329 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.041 -16.988 3.500 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.637 -16.776 5.134 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.478 -15.350 4.304 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.864 -15.479 2.668 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.305 -18.113 3.728 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.018 -15.258 2.540 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.434 -16.183 2.028 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.128 -19.286 3.071 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.496 -18.451 2.327 1.00 20.00 H new ATOM 553 N ALA A 27 -25.164 -15.813 2.700 1.00 20.00 N ATOM 554 CA ALA A 27 -24.478 -16.680 1.752 1.00 20.00 C ATOM 555 C ALA A 27 -23.176 -17.208 2.341 1.00 20.00 C ATOM 556 O ALA A 27 -22.805 -18.362 2.130 1.00 20.00 O ATOM 557 CB ALA A 27 -24.204 -15.933 0.458 1.00 20.00 C ATOM 0 H ALA A 27 -25.261 -14.846 2.391 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.126 -17.530 1.539 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.691 -16.593 -0.241 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.147 -15.604 0.021 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.577 -15.065 0.664 1.00 20.00 H new ATOM 563 N LYS A 28 -22.497 -16.363 3.099 1.00 20.00 N ATOM 564 CA LYS A 28 -21.223 -16.727 3.701 1.00 20.00 C ATOM 565 C LYS A 28 -21.435 -17.666 4.884 1.00 20.00 C ATOM 566 O LYS A 28 -20.632 -18.570 5.122 1.00 20.00 O ATOM 567 CB LYS A 28 -20.464 -15.475 4.144 1.00 20.00 C ATOM 568 CG LYS A 28 -20.122 -14.533 2.998 1.00 20.00 C ATOM 569 CD LYS A 28 -19.400 -13.291 3.492 1.00 20.00 C ATOM 570 CE LYS A 28 -18.035 -13.624 4.079 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.145 -14.267 3.077 1.00 20.00 N ATOM 0 H LYS A 28 -22.808 -15.415 3.313 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.627 -17.248 2.952 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.064 -14.938 4.879 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.543 -15.776 4.643 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.497 -15.054 2.272 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.036 -14.242 2.480 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.279 -12.589 2.667 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.008 -12.793 4.247 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.566 -12.712 4.449 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.159 -14.288 4.934 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.164 -14.248 3.421 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.442 -15.253 2.931 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.206 -13.750 2.176 1.00 20.00 H new ATOM 585 N VAL A 29 -22.526 -17.453 5.613 1.00 20.00 N ATOM 586 CA VAL A 29 -22.887 -18.315 6.734 1.00 20.00 C ATOM 587 C VAL A 29 -23.246 -19.710 6.234 1.00 20.00 C ATOM 588 O VAL A 29 -23.000 -20.714 6.908 1.00 20.00 O ATOM 589 CB VAL A 29 -24.075 -17.733 7.537 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.486 -18.667 8.667 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.725 -16.361 8.088 1.00 20.00 C ATOM 0 H VAL A 29 -23.179 -16.687 5.447 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.022 -18.374 7.395 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.921 -17.633 6.857 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.323 -18.231 9.213 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.785 -19.630 8.253 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -23.645 -18.810 9.345 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.572 -15.967 8.650 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.860 -16.443 8.746 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.491 -15.687 7.264 1.00 20.00 H new ATOM 772 N HIS A 42 -6.977 -42.499 5.767 1.00 20.00 N ATOM 773 CA HIS A 42 -7.522 -43.787 5.351 1.00 20.00 C ATOM 774 C HIS A 42 -8.706 -44.186 6.216 1.00 20.00 C ATOM 775 O HIS A 42 -9.493 -45.057 5.841 1.00 20.00 O ATOM 776 CB HIS A 42 -6.451 -44.878 5.416 1.00 20.00 C ATOM 777 CG HIS A 42 -5.451 -44.806 4.309 1.00 20.00 C ATOM 778 ND1 HIS A 42 -4.093 -44.926 4.505 1.00 20.00 N ATOM 779 CD2 HIS A 42 -5.622 -44.639 2.979 1.00 20.00 C ATOM 780 CE1 HIS A 42 -3.474 -44.833 3.345 1.00 20.00 C ATOM 781 NE2 HIS A 42 -4.380 -44.659 2.404 1.00 20.00 N ATOM 0 HA HIS A 42 -7.860 -43.680 4.320 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -5.929 -44.806 6.370 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -6.937 -45.853 5.392 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -6.564 -44.513 2.465 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -2.406 -44.890 3.192 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -4.187 -44.556 1.408 1.00 20.00 H new ATOM 790 N ASP A 43 -8.832 -43.535 7.366 1.00 20.00 N ATOM 791 CA ASP A 43 -9.898 -43.844 8.308 1.00 20.00 C ATOM 792 C ASP A 43 -11.248 -43.388 7.769 1.00 20.00 C ATOM 793 O ASP A 43 -12.251 -44.086 7.925 1.00 20.00 O ATOM 794 CB ASP A 43 -9.637 -43.189 9.669 1.00 20.00 C ATOM 795 CG ASP A 43 -8.301 -43.583 10.266 1.00 20.00 C ATOM 796 OD1 ASP A 43 -8.166 -44.727 10.752 1.00 20.00 O ATOM 797 OD2 ASP A 43 -7.372 -42.748 10.252 1.00 20.00 O ATOM 0 H ASP A 43 -8.207 -42.788 7.668 1.00 20.00 H new ATOM 0 HA ASP A 43 -9.917 -44.926 8.438 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -9.674 -42.105 9.558 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -10.434 -43.467 10.359 1.00 20.00 H new ATOM 802 N GLU A 44 -11.276 -42.231 7.113 1.00 20.00 N ATOM 803 CA GLU A 44 -12.536 -41.696 6.605 1.00 20.00 C ATOM 804 C GLU A 44 -12.958 -42.449 5.352 1.00 20.00 C ATOM 805 O GLU A 44 -14.142 -42.504 5.017 1.00 20.00 O ATOM 806 CB GLU A 44 -12.456 -40.171 6.368 1.00 20.00 C ATOM 807 CG GLU A 44 -11.590 -39.714 5.197 1.00 20.00 C ATOM 808 CD GLU A 44 -12.304 -39.781 3.862 1.00 20.00 C ATOM 809 OE1 GLU A 44 -13.289 -39.034 3.672 1.00 20.00 O ATOM 810 OE2 GLU A 44 -11.881 -40.560 2.992 1.00 20.00 O ATOM 0 H GLU A 44 -10.456 -41.654 6.923 1.00 20.00 H new ATOM 0 HA GLU A 44 -13.304 -41.847 7.363 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -13.467 -39.795 6.213 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -12.078 -39.703 7.277 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -11.262 -38.690 5.375 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -10.694 -40.333 5.153 1.00 20.00 H new ATOM 817 N VAL A 45 -11.986 -43.052 4.679 1.00 20.00 N ATOM 818 CA VAL A 45 -12.265 -43.909 3.541 1.00 20.00 C ATOM 819 C VAL A 45 -13.030 -45.136 4.014 1.00 20.00 C ATOM 820 O VAL A 45 -14.040 -45.527 3.423 1.00 20.00 O ATOM 821 CB VAL A 45 -10.971 -44.356 2.829 1.00 20.00 C ATOM 822 CG1 VAL A 45 -11.294 -45.264 1.657 1.00 20.00 C ATOM 823 CG2 VAL A 45 -10.166 -43.153 2.364 1.00 20.00 C ATOM 0 H VAL A 45 -10.996 -42.961 4.905 1.00 20.00 H new ATOM 0 HA VAL A 45 -12.860 -43.339 2.827 1.00 20.00 H new ATOM 0 HB VAL A 45 -10.366 -44.915 3.543 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -10.369 -45.569 1.167 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -11.823 -46.147 2.016 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -11.922 -44.729 0.945 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -9.259 -43.493 1.865 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -10.763 -42.563 1.669 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -9.899 -42.539 3.224 1.00 20.00 H new ATOM 833 N GLU A 46 -12.546 -45.722 5.106 1.00 20.00 N ATOM 834 CA GLU A 46 -13.213 -46.859 5.728 1.00 20.00 C ATOM 835 C GLU A 46 -14.622 -46.472 6.160 1.00 20.00 C ATOM 836 O GLU A 46 -15.571 -47.222 5.955 1.00 20.00 O ATOM 837 CB GLU A 46 -12.428 -47.371 6.942 1.00 20.00 C ATOM 838 CG GLU A 46 -11.002 -47.791 6.627 1.00 20.00 C ATOM 839 CD GLU A 46 -10.294 -48.383 7.828 1.00 20.00 C ATOM 840 OE1 GLU A 46 -10.481 -49.589 8.098 1.00 20.00 O ATOM 841 OE2 GLU A 46 -9.556 -47.646 8.516 1.00 20.00 O ATOM 0 H GLU A 46 -11.692 -45.426 5.578 1.00 20.00 H new ATOM 0 HA GLU A 46 -13.264 -47.658 4.988 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -12.406 -46.590 7.702 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -12.959 -48.220 7.372 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -11.012 -48.522 5.818 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -10.443 -46.927 6.269 1.00 20.00 H new ATOM 848 N ARG A 47 -14.749 -45.283 6.733 1.00 20.00 N ATOM 849 CA ARG A 47 -16.035 -44.793 7.213 1.00 20.00 C ATOM 850 C ARG A 47 -17.022 -44.593 6.067 1.00 20.00 C ATOM 851 O ARG A 47 -18.201 -44.921 6.195 1.00 20.00 O ATOM 852 CB ARG A 47 -15.855 -43.482 7.984 1.00 20.00 C ATOM 853 CG ARG A 47 -15.100 -43.646 9.294 1.00 20.00 C ATOM 854 CD ARG A 47 -15.900 -44.456 10.304 1.00 20.00 C ATOM 855 NE ARG A 47 -17.125 -43.768 10.713 1.00 20.00 N ATOM 856 CZ ARG A 47 -18.184 -44.379 11.244 1.00 20.00 C ATOM 857 NH1 ARG A 47 -18.194 -45.698 11.395 1.00 20.00 N ATOM 858 NH2 ARG A 47 -19.238 -43.665 11.615 1.00 20.00 N ATOM 0 H ARG A 47 -13.973 -44.637 6.877 1.00 20.00 H new ATOM 0 HA ARG A 47 -16.445 -45.549 7.883 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -15.322 -42.770 7.354 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -16.836 -43.054 8.191 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -14.146 -44.138 9.106 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -14.875 -42.664 9.710 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -16.155 -45.424 9.872 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -15.284 -44.651 11.182 1.00 20.00 H new ATOM 0 HE ARG A 47 -17.171 -42.757 10.584 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -17.388 -46.251 11.104 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -19.008 -46.159 11.802 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -19.236 -42.652 11.494 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -20.050 -44.129 12.022 1.00 20.00 H new ATOM 872 N ARG A 48 -16.540 -44.063 4.949 1.00 20.00 N ATOM 873 CA ARG A 48 -17.401 -43.804 3.800 1.00 20.00 C ATOM 874 C ARG A 48 -17.883 -45.103 3.159 1.00 20.00 C ATOM 875 O ARG A 48 -19.054 -45.226 2.800 1.00 20.00 O ATOM 876 CB ARG A 48 -16.691 -42.936 2.759 1.00 20.00 C ATOM 877 CG ARG A 48 -16.634 -41.463 3.128 1.00 20.00 C ATOM 878 CD ARG A 48 -16.074 -40.624 1.989 1.00 20.00 C ATOM 879 NE ARG A 48 -14.639 -40.824 1.804 1.00 20.00 N ATOM 880 CZ ARG A 48 -14.056 -41.046 0.629 1.00 20.00 C ATOM 881 NH1 ARG A 48 -14.791 -41.190 -0.469 1.00 20.00 N ATOM 882 NH2 ARG A 48 -12.735 -41.130 0.559 1.00 20.00 N ATOM 0 H ARG A 48 -15.563 -43.805 4.813 1.00 20.00 H new ATOM 0 HA ARG A 48 -18.271 -43.261 4.168 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -15.675 -43.307 2.622 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -17.201 -43.042 1.802 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -17.634 -41.112 3.383 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -16.015 -41.333 4.016 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -16.595 -40.876 1.065 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -16.269 -39.570 2.188 1.00 20.00 H new ATOM 0 HE ARG A 48 -14.044 -40.791 2.632 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -15.808 -41.130 -0.414 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -14.338 -41.360 -1.367 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -12.172 -41.025 1.403 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -12.282 -41.300 -0.339 1.00 20.00 H new ATOM 896 N MET A 49 -16.987 -46.072 3.018 1.00 20.00 N ATOM 897 CA MET A 49 -17.370 -47.356 2.442 1.00 20.00 C ATOM 898 C MET A 49 -18.242 -48.144 3.416 1.00 20.00 C ATOM 899 O MET A 49 -19.147 -48.864 3.001 1.00 20.00 O ATOM 900 CB MET A 49 -16.143 -48.186 2.026 1.00 20.00 C ATOM 901 CG MET A 49 -15.209 -48.547 3.168 1.00 20.00 C ATOM 902 SD MET A 49 -13.974 -49.781 2.708 1.00 20.00 S ATOM 903 CE MET A 49 -13.153 -48.954 1.346 1.00 20.00 C ATOM 0 H MET A 49 -16.007 -45.997 3.289 1.00 20.00 H new ATOM 0 HA MET A 49 -17.947 -47.149 1.541 1.00 20.00 H new ATOM 0 HB2 MET A 49 -16.486 -49.105 1.550 1.00 20.00 H new ATOM 0 HB3 MET A 49 -15.581 -47.629 1.276 1.00 20.00 H new ATOM 0 HG2 MET A 49 -14.703 -47.646 3.514 1.00 20.00 H new ATOM 0 HG3 MET A 49 -15.797 -48.924 4.005 1.00 20.00 H new ATOM 0 HE1 MET A 49 -12.093 -49.206 1.353 1.00 20.00 H new ATOM 0 HE2 MET A 49 -13.596 -49.277 0.404 1.00 20.00 H new ATOM 0 HE3 MET A 49 -13.270 -47.875 1.451 1.00 20.00 H new ATOM 913 N ALA A 50 -17.987 -47.979 4.710 1.00 20.00 N ATOM 914 CA ALA A 50 -18.747 -48.674 5.743 1.00 20.00 C ATOM 915 C ALA A 50 -20.229 -48.336 5.663 1.00 20.00 C ATOM 916 O ALA A 50 -21.076 -49.229 5.612 1.00 20.00 O ATOM 917 CB ALA A 50 -18.209 -48.330 7.122 1.00 20.00 C ATOM 0 H ALA A 50 -17.255 -47.366 5.070 1.00 20.00 H new ATOM 0 HA ALA A 50 -18.633 -49.745 5.573 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -18.788 -48.857 7.880 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -17.163 -48.630 7.190 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -18.289 -47.255 7.286 1.00 20.00 H new ATOM 923 N GLU A 51 -20.534 -47.045 5.624 1.00 20.00 N ATOM 924 CA GLU A 51 -21.920 -46.593 5.573 1.00 20.00 C ATOM 925 C GLU A 51 -22.554 -46.938 4.229 1.00 20.00 C ATOM 926 O GLU A 51 -23.778 -46.983 4.101 1.00 20.00 O ATOM 927 CB GLU A 51 -22.018 -45.086 5.842 1.00 20.00 C ATOM 928 CG GLU A 51 -21.302 -44.218 4.819 1.00 20.00 C ATOM 929 CD GLU A 51 -21.498 -42.740 5.078 1.00 20.00 C ATOM 930 OE1 GLU A 51 -22.472 -42.164 4.553 1.00 20.00 O ATOM 931 OE2 GLU A 51 -20.684 -42.144 5.811 1.00 20.00 O ATOM 0 H GLU A 51 -19.844 -46.294 5.627 1.00 20.00 H new ATOM 0 HA GLU A 51 -22.470 -47.115 6.356 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -23.070 -44.802 5.869 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -21.606 -44.878 6.829 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -20.237 -44.448 4.833 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -21.667 -44.461 3.821 1.00 20.00 H new ATOM 938 N ARG A 52 -21.717 -47.184 3.232 1.00 20.00 N ATOM 939 CA ARG A 52 -22.191 -47.600 1.923 1.00 20.00 C ATOM 940 C ARG A 52 -22.610 -49.067 1.964 1.00 20.00 C ATOM 941 O ARG A 52 -23.641 -49.448 1.408 1.00 20.00 O ATOM 942 CB ARG A 52 -21.103 -47.379 0.871 1.00 20.00 C ATOM 943 CG ARG A 52 -21.547 -47.687 -0.547 1.00 20.00 C ATOM 944 CD ARG A 52 -20.422 -47.453 -1.537 1.00 20.00 C ATOM 945 NE ARG A 52 -20.842 -47.694 -2.914 1.00 20.00 N ATOM 946 CZ ARG A 52 -20.030 -47.606 -3.966 1.00 20.00 C ATOM 947 NH1 ARG A 52 -18.749 -47.308 -3.793 1.00 20.00 N ATOM 948 NH2 ARG A 52 -20.493 -47.834 -5.189 1.00 20.00 N ATOM 0 H ARG A 52 -20.703 -47.102 3.306 1.00 20.00 H new ATOM 0 HA ARG A 52 -23.058 -46.998 1.650 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -20.769 -46.342 0.920 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -20.243 -48.002 1.115 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -21.880 -48.723 -0.610 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -22.400 -47.061 -0.808 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -20.064 -46.428 -1.442 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -19.585 -48.107 -1.294 1.00 20.00 H new ATOM 0 HE ARG A 52 -21.816 -47.945 -3.081 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -18.385 -47.146 -2.854 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -18.128 -47.241 -4.599 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -21.474 -48.078 -5.326 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -19.868 -47.766 -5.992 1.00 20.00 H new ATOM 962 N PHE A 53 -21.814 -49.886 2.645 1.00 20.00 N ATOM 963 CA PHE A 53 -22.135 -51.298 2.814 1.00 20.00 C ATOM 964 C PHE A 53 -23.321 -51.459 3.754 1.00 20.00 C ATOM 965 O PHE A 53 -24.104 -52.401 3.637 1.00 20.00 O ATOM 966 CB PHE A 53 -20.935 -52.069 3.373 1.00 20.00 C ATOM 967 CG PHE A 53 -19.695 -51.998 2.524 1.00 20.00 C ATOM 968 CD1 PHE A 53 -19.776 -52.031 1.140 1.00 20.00 C ATOM 969 CD2 PHE A 53 -18.445 -51.894 3.115 1.00 20.00 C ATOM 970 CE1 PHE A 53 -18.634 -51.962 0.364 1.00 20.00 C ATOM 971 CE2 PHE A 53 -17.301 -51.824 2.344 1.00 20.00 C ATOM 972 CZ PHE A 53 -17.396 -51.858 0.967 1.00 20.00 C ATOM 0 H PHE A 53 -20.942 -49.596 3.088 1.00 20.00 H new ATOM 0 HA PHE A 53 -22.388 -51.704 1.835 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -20.702 -51.683 4.366 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -21.217 -53.115 3.495 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -20.742 -52.111 0.663 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -18.365 -51.867 4.192 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -18.710 -51.989 -0.713 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -16.334 -51.743 2.818 1.00 20.00 H new ATOM 0 HZ PHE A 53 -16.503 -51.803 0.362 1.00 20.00 H new ATOM 982 N ALA A 54 -23.453 -50.509 4.675 1.00 20.00 N ATOM 983 CA ALA A 54 -24.511 -50.532 5.680 1.00 20.00 C ATOM 984 C ALA A 54 -25.894 -50.490 5.040 1.00 20.00 C ATOM 985 O ALA A 54 -26.880 -50.899 5.646 1.00 20.00 O ATOM 986 CB ALA A 54 -24.340 -49.369 6.643 1.00 20.00 C ATOM 0 H ALA A 54 -22.831 -49.703 4.746 1.00 20.00 H new ATOM 0 HA ALA A 54 -24.430 -51.469 6.230 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -25.134 -49.395 7.389 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -23.373 -49.447 7.140 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -24.390 -48.430 6.092 1.00 20.00 H new ATOM 992 N LYS A 55 -25.957 -50.007 3.806 1.00 20.00 N ATOM 993 CA LYS A 55 -27.215 -49.928 3.077 1.00 20.00 C ATOM 994 C LYS A 55 -27.748 -51.321 2.762 1.00 20.00 C ATOM 995 O LYS A 55 -28.948 -51.509 2.567 1.00 20.00 O ATOM 996 CB LYS A 55 -27.030 -49.129 1.788 1.00 20.00 C ATOM 997 CG LYS A 55 -26.588 -47.693 2.027 1.00 20.00 C ATOM 998 CD LYS A 55 -27.668 -46.880 2.720 1.00 20.00 C ATOM 999 CE LYS A 55 -27.181 -45.479 3.054 1.00 20.00 C ATOM 1000 NZ LYS A 55 -26.103 -45.494 4.077 1.00 20.00 N ATOM 0 H LYS A 55 -25.148 -49.663 3.288 1.00 20.00 H new ATOM 0 HA LYS A 55 -27.943 -49.418 3.707 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -26.292 -49.629 1.162 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -27.968 -49.125 1.233 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -25.683 -47.687 2.634 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -26.336 -47.227 1.075 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -28.547 -46.818 2.078 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -27.977 -47.387 3.634 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -26.814 -44.997 2.148 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -28.017 -44.881 3.417 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -25.847 -44.517 4.326 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -26.438 -45.991 4.927 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -25.269 -45.984 3.695 1.00 20.00 H new ATOM 1014 N MET A 56 -26.850 -52.299 2.734 1.00 20.00 N ATOM 1015 CA MET A 56 -27.232 -53.681 2.478 1.00 20.00 C ATOM 1016 C MET A 56 -27.701 -54.346 3.770 1.00 20.00 C ATOM 1017 O MET A 56 -28.325 -55.409 3.750 1.00 20.00 O ATOM 1018 CB MET A 56 -26.055 -54.453 1.866 1.00 20.00 C ATOM 1019 CG MET A 56 -26.368 -55.906 1.535 1.00 20.00 C ATOM 1020 SD MET A 56 -24.981 -56.768 0.764 1.00 20.00 S ATOM 1021 CE MET A 56 -24.855 -55.888 -0.791 1.00 20.00 C ATOM 0 H MET A 56 -25.851 -52.159 2.886 1.00 20.00 H new ATOM 0 HA MET A 56 -28.057 -53.693 1.766 1.00 20.00 H new ATOM 0 HB2 MET A 56 -25.736 -53.945 0.956 1.00 20.00 H new ATOM 0 HB3 MET A 56 -25.215 -54.423 2.560 1.00 20.00 H new ATOM 0 HG2 MET A 56 -26.651 -56.428 2.449 1.00 20.00 H new ATOM 0 HG3 MET A 56 -27.229 -55.944 0.867 1.00 20.00 H new ATOM 0 HE1 MET A 56 -24.295 -56.491 -1.506 1.00 20.00 H new ATOM 0 HE2 MET A 56 -25.854 -55.695 -1.182 1.00 20.00 H new ATOM 0 HE3 MET A 56 -24.339 -54.941 -0.632 1.00 20.00 H new ATOM 1031 N ARG A 57 -27.414 -53.700 4.894 1.00 20.00 N ATOM 1032 CA ARG A 57 -27.813 -54.209 6.200 1.00 20.00 C ATOM 1033 C ARG A 57 -28.910 -53.323 6.797 1.00 20.00 C ATOM 1034 O ARG A 57 -29.345 -53.518 7.932 1.00 20.00 O ATOM 1035 CB ARG A 57 -26.595 -54.260 7.134 1.00 20.00 C ATOM 1036 CG ARG A 57 -26.871 -54.914 8.481 1.00 20.00 C ATOM 1037 CD ARG A 57 -25.673 -54.823 9.411 1.00 20.00 C ATOM 1038 NE ARG A 57 -25.973 -55.359 10.738 1.00 20.00 N ATOM 1039 CZ ARG A 57 -25.144 -55.278 11.779 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -23.969 -54.668 11.653 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -25.493 -55.808 12.946 1.00 20.00 N ATOM 0 H ARG A 57 -26.903 -52.818 4.926 1.00 20.00 H new ATOM 0 HA ARG A 57 -28.208 -55.218 6.085 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -25.792 -54.803 6.636 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -26.237 -53.244 7.302 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -27.731 -54.434 8.948 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -27.134 -55.961 8.329 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -24.835 -55.370 8.979 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -25.361 -53.782 9.501 1.00 20.00 H new ATOM 0 HE ARG A 57 -26.871 -55.823 10.876 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -23.699 -54.260 10.758 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -23.337 -54.608 12.452 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -26.394 -56.276 13.045 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -24.860 -55.747 13.744 1.00 20.00 H new