USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=5 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) USER MOD Single : A 19 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.038) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.0518 (180deg=-0.399) USER MOD Single : A 42 HIS : no HE2:sc= 0.609 K(o=0.61,f=-8.1!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc=-0.00445 (180deg=-0.103) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.140 -0.243 2.307 1.00 20.00 N ATOM 365 CA GLU A 16 -30.698 -1.027 1.158 1.00 20.00 C ATOM 366 C GLU A 16 -29.286 -1.570 1.344 1.00 20.00 C ATOM 367 O GLU A 16 -29.033 -2.751 1.099 1.00 20.00 O ATOM 368 CB GLU A 16 -30.762 -0.180 -0.110 1.00 20.00 C ATOM 369 CG GLU A 16 -32.169 0.012 -0.644 1.00 20.00 C ATOM 370 CD GLU A 16 -32.716 -1.245 -1.285 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.437 -1.473 -2.480 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.434 -2.003 -0.607 1.00 20.00 O ATOM 0 HA GLU A 16 -31.372 -1.879 1.067 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.324 0.797 0.094 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.151 -0.649 -0.881 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.826 0.317 0.170 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.171 0.820 -1.375 1.00 20.00 H new ATOM 379 N GLN A 17 -28.366 -0.714 1.779 1.00 20.00 N ATOM 380 CA GLN A 17 -26.988 -1.137 1.991 1.00 20.00 C ATOM 381 C GLN A 17 -26.911 -2.193 3.082 1.00 20.00 C ATOM 382 O GLN A 17 -26.258 -3.221 2.911 1.00 20.00 O ATOM 383 CB GLN A 17 -26.085 0.049 2.337 1.00 20.00 C ATOM 384 CG GLN A 17 -25.735 0.917 1.139 1.00 20.00 C ATOM 385 CD GLN A 17 -24.809 2.059 1.500 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.588 1.911 1.485 1.00 20.00 O ATOM 387 NE2 GLN A 17 -25.380 3.207 1.821 1.00 20.00 N ATOM 0 H GLN A 17 -28.548 0.267 1.990 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.631 -1.571 1.057 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.579 0.664 3.089 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.165 -0.325 2.786 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -25.265 0.300 0.373 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.651 1.319 0.706 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.397 3.288 1.821 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.804 4.012 2.068 1.00 20.00 H new ATOM 396 N GLU A 18 -27.609 -1.953 4.186 1.00 20.00 N ATOM 397 CA GLU A 18 -27.620 -2.895 5.297 1.00 20.00 C ATOM 398 C GLU A 18 -28.207 -4.231 4.856 1.00 20.00 C ATOM 399 O GLU A 18 -27.690 -5.291 5.206 1.00 20.00 O ATOM 400 CB GLU A 18 -28.402 -2.331 6.486 1.00 20.00 C ATOM 401 CG GLU A 18 -27.731 -1.134 7.143 1.00 20.00 C ATOM 402 CD GLU A 18 -26.325 -1.443 7.617 1.00 20.00 C ATOM 403 OE1 GLU A 18 -26.177 -2.103 8.668 1.00 20.00 O ATOM 404 OE2 GLU A 18 -25.358 -1.030 6.944 1.00 20.00 O ATOM 0 H GLU A 18 -28.173 -1.116 4.335 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.590 -3.056 5.616 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -29.397 -2.040 6.150 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.533 -3.117 7.230 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.698 -0.306 6.435 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -28.332 -0.805 7.990 1.00 20.00 H new ATOM 411 N ASN A 19 -29.273 -4.173 4.062 1.00 20.00 N ATOM 412 CA ASN A 19 -29.870 -5.380 3.502 1.00 20.00 C ATOM 413 C ASN A 19 -28.855 -6.114 2.637 1.00 20.00 C ATOM 414 O ASN A 19 -28.697 -7.326 2.750 1.00 20.00 O ATOM 415 CB ASN A 19 -31.120 -5.063 2.671 1.00 20.00 C ATOM 416 CG ASN A 19 -32.308 -4.611 3.504 1.00 20.00 C ATOM 417 OD1 ASN A 19 -33.143 -3.833 3.042 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.404 -5.104 4.729 1.00 20.00 N ATOM 0 H ASN A 19 -29.739 -3.306 3.793 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.170 -6.014 4.336 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.877 -4.284 1.948 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.402 -5.949 2.102 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.190 -4.841 5.324 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.692 -5.746 5.077 1.00 20.00 H new ATOM 425 N SER A 20 -28.145 -5.369 1.799 1.00 20.00 N ATOM 426 CA SER A 20 -27.148 -5.954 0.913 1.00 20.00 C ATOM 427 C SER A 20 -26.064 -6.667 1.719 1.00 20.00 C ATOM 428 O SER A 20 -25.652 -7.777 1.376 1.00 20.00 O ATOM 429 CB SER A 20 -26.530 -4.873 0.017 1.00 20.00 C ATOM 430 OG SER A 20 -25.645 -5.437 -0.939 1.00 20.00 O ATOM 0 H SER A 20 -28.242 -4.357 1.715 1.00 20.00 H new ATOM 0 HA SER A 20 -27.641 -6.690 0.278 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.322 -4.327 -0.496 1.00 20.00 H new ATOM 0 HB3 SER A 20 -25.992 -4.152 0.632 1.00 20.00 H new ATOM 0 HG SER A 20 -25.268 -4.724 -1.496 1.00 20.00 H new ATOM 436 N TYR A 21 -25.623 -6.039 2.806 1.00 20.00 N ATOM 437 CA TYR A 21 -24.608 -6.635 3.665 1.00 20.00 C ATOM 438 C TYR A 21 -25.140 -7.889 4.348 1.00 20.00 C ATOM 439 O TYR A 21 -24.433 -8.889 4.452 1.00 20.00 O ATOM 440 CB TYR A 21 -24.122 -5.641 4.722 1.00 20.00 C ATOM 441 CG TYR A 21 -23.241 -4.539 4.172 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.030 -4.836 3.558 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.609 -3.204 4.276 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.216 -3.837 3.064 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.801 -2.200 3.782 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.606 -2.521 3.179 1.00 20.00 C ATOM 447 OH TYR A 21 -20.797 -1.521 2.690 1.00 20.00 O ATOM 0 H TYR A 21 -25.951 -5.123 3.110 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.766 -6.908 3.029 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.988 -5.191 5.208 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.571 -6.184 5.490 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.721 -5.867 3.466 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.544 -2.947 4.752 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.278 -4.086 2.590 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -23.105 -1.167 3.868 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.219 -0.651 2.850 1.00 20.00 H new ATOM 457 N ASN A 22 -26.389 -7.832 4.801 1.00 20.00 N ATOM 458 CA ASN A 22 -27.002 -8.960 5.500 1.00 20.00 C ATOM 459 C ASN A 22 -27.255 -10.122 4.548 1.00 20.00 C ATOM 460 O ASN A 22 -26.877 -11.257 4.837 1.00 20.00 O ATOM 461 CB ASN A 22 -28.316 -8.549 6.180 1.00 20.00 C ATOM 462 CG ASN A 22 -28.117 -7.779 7.479 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.932 -7.881 8.400 1.00 20.00 O ATOM 464 ND2 ASN A 22 -27.047 -7.001 7.569 1.00 20.00 N ATOM 0 H ASN A 22 -26.996 -7.019 4.698 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.300 -9.282 6.269 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.896 -7.936 5.490 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.905 -9.443 6.384 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -26.877 -6.463 8.419 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -26.394 -6.940 6.788 1.00 20.00 H new ATOM 471 N GLU A 23 -27.878 -9.834 3.408 1.00 20.00 N ATOM 472 CA GLU A 23 -28.198 -10.865 2.421 1.00 20.00 C ATOM 473 C GLU A 23 -26.949 -11.609 1.968 1.00 20.00 C ATOM 474 O GLU A 23 -26.928 -12.843 1.934 1.00 20.00 O ATOM 475 CB GLU A 23 -28.903 -10.256 1.202 1.00 20.00 C ATOM 476 CG GLU A 23 -30.424 -10.281 1.276 1.00 20.00 C ATOM 477 CD GLU A 23 -30.985 -9.517 2.457 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.046 -10.088 3.567 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.394 -8.353 2.277 1.00 20.00 O ATOM 0 H GLU A 23 -28.172 -8.894 3.143 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.869 -11.575 2.904 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.574 -9.223 1.086 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.586 -10.794 0.308 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.831 -9.862 0.356 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.760 -11.316 1.331 1.00 20.00 H new ATOM 486 N TRP A 24 -25.910 -10.856 1.634 1.00 20.00 N ATOM 487 CA TRP A 24 -24.676 -11.445 1.138 1.00 20.00 C ATOM 488 C TRP A 24 -23.959 -12.220 2.238 1.00 20.00 C ATOM 489 O TRP A 24 -23.480 -13.333 2.014 1.00 20.00 O ATOM 490 CB TRP A 24 -23.758 -10.362 0.568 1.00 20.00 C ATOM 491 CG TRP A 24 -22.549 -10.913 -0.123 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.286 -11.016 0.387 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.491 -11.447 -1.449 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.448 -11.576 -0.545 1.00 20.00 N ATOM 495 CE2 TRP A 24 -21.164 -11.849 -1.681 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.435 -11.620 -2.466 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -20.758 -12.418 -2.885 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -23.029 -12.184 -3.661 1.00 20.00 C ATOM 499 CH2 TRP A 24 -21.701 -12.577 -3.862 1.00 20.00 C ATOM 0 H TRP A 24 -25.898 -9.838 1.698 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.932 -12.143 0.341 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.323 -9.750 -0.136 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.438 -9.705 1.376 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.990 -10.703 1.377 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.453 -11.759 -0.413 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.462 -11.319 -2.321 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -19.734 -12.723 -3.042 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -23.749 -12.324 -4.453 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -21.416 -13.014 -4.807 1.00 20.00 H new ATOM 510 N LEU A 25 -23.905 -11.641 3.432 1.00 20.00 N ATOM 511 CA LEU A 25 -23.196 -12.265 4.541 1.00 20.00 C ATOM 512 C LEU A 25 -23.899 -13.542 4.978 1.00 20.00 C ATOM 513 O LEU A 25 -23.261 -14.570 5.166 1.00 20.00 O ATOM 514 CB LEU A 25 -23.072 -11.299 5.724 1.00 20.00 C ATOM 515 CG LEU A 25 -22.236 -11.809 6.903 1.00 20.00 C ATOM 516 CD1 LEU A 25 -20.806 -12.102 6.465 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.248 -10.797 8.038 1.00 20.00 C ATOM 0 H LEU A 25 -24.341 -10.746 3.655 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.193 -12.519 4.197 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.634 -10.367 5.366 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.073 -11.063 6.085 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.680 -12.738 7.261 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.231 -12.463 7.318 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -20.813 -12.863 5.684 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -20.350 -11.190 6.079 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.650 -11.174 8.868 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.830 -9.853 7.688 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -23.273 -10.638 8.373 1.00 20.00 H new ATOM 529 N ARG A 26 -25.218 -13.476 5.111 1.00 20.00 N ATOM 530 CA ARG A 26 -26.005 -14.626 5.548 1.00 20.00 C ATOM 531 C ARG A 26 -25.895 -15.780 4.551 1.00 20.00 C ATOM 532 O ARG A 26 -25.915 -16.952 4.934 1.00 20.00 O ATOM 533 CB ARG A 26 -27.469 -14.224 5.732 1.00 20.00 C ATOM 534 CG ARG A 26 -28.371 -15.360 6.187 1.00 20.00 C ATOM 535 CD ARG A 26 -29.829 -14.936 6.195 1.00 20.00 C ATOM 536 NE ARG A 26 -30.247 -14.425 4.891 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.531 -13.146 4.648 1.00 20.00 C ATOM 538 NH1 ARG A 26 -30.474 -12.243 5.622 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.867 -12.764 3.428 1.00 20.00 N ATOM 0 H ARG A 26 -25.767 -12.638 4.923 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.606 -14.966 6.504 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.524 -13.416 6.461 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.848 -13.829 4.789 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.243 -16.217 5.525 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.078 -15.682 7.186 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.454 -15.785 6.471 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.981 -14.168 6.953 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.326 -15.088 4.120 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.211 -12.527 6.566 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -30.693 -11.266 5.426 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.909 -13.448 2.673 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -31.084 -11.785 3.242 1.00 20.00 H new ATOM 553 N ALA A 27 -25.775 -15.446 3.273 1.00 20.00 N ATOM 554 CA ALA A 27 -25.634 -16.455 2.235 1.00 20.00 C ATOM 555 C ALA A 27 -24.248 -17.080 2.279 1.00 20.00 C ATOM 556 O ALA A 27 -24.094 -18.295 2.154 1.00 20.00 O ATOM 557 CB ALA A 27 -25.895 -15.847 0.866 1.00 20.00 C ATOM 0 H ALA A 27 -25.773 -14.485 2.932 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.371 -17.238 2.416 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.786 -16.615 0.100 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.907 -15.444 0.834 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -25.179 -15.046 0.681 1.00 20.00 H new ATOM 563 N LYS A 28 -23.245 -16.241 2.480 1.00 20.00 N ATOM 564 CA LYS A 28 -21.862 -16.688 2.477 1.00 20.00 C ATOM 565 C LYS A 28 -21.515 -17.413 3.781 1.00 20.00 C ATOM 566 O LYS A 28 -20.787 -18.407 3.776 1.00 20.00 O ATOM 567 CB LYS A 28 -20.930 -15.492 2.259 1.00 20.00 C ATOM 568 CG LYS A 28 -19.462 -15.863 2.181 1.00 20.00 C ATOM 569 CD LYS A 28 -18.596 -14.644 1.925 1.00 20.00 C ATOM 570 CE LYS A 28 -17.115 -14.992 1.958 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.702 -15.531 3.281 1.00 20.00 N ATOM 0 H LYS A 28 -23.364 -15.242 2.648 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.728 -17.396 1.659 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.216 -14.984 1.338 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.072 -14.780 3.072 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.156 -16.340 3.112 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.311 -16.592 1.385 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.848 -14.215 0.955 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.808 -13.882 2.675 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -16.897 -15.726 1.183 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -16.528 -14.103 1.729 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.666 -15.486 3.366 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.137 -14.965 4.037 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.013 -16.520 3.366 1.00 20.00 H new ATOM 585 N VAL A 29 -22.061 -16.928 4.892 1.00 20.00 N ATOM 586 CA VAL A 29 -21.794 -17.517 6.201 1.00 20.00 C ATOM 587 C VAL A 29 -22.471 -18.883 6.332 1.00 20.00 C ATOM 588 O VAL A 29 -22.204 -19.636 7.269 1.00 20.00 O ATOM 589 CB VAL A 29 -22.253 -16.588 7.352 1.00 20.00 C ATOM 590 CG1 VAL A 29 -23.763 -16.627 7.527 1.00 20.00 C ATOM 591 CG2 VAL A 29 -21.548 -16.945 8.651 1.00 20.00 C ATOM 0 H VAL A 29 -22.692 -16.127 4.912 1.00 20.00 H new ATOM 0 HA VAL A 29 -20.715 -17.646 6.280 1.00 20.00 H new ATOM 0 HB VAL A 29 -21.977 -15.568 7.084 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.052 -15.964 8.343 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.245 -16.300 6.606 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.076 -17.645 7.758 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -21.887 -16.279 9.444 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -21.780 -17.976 8.919 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -20.471 -16.837 8.522 1.00 20.00 H new ATOM 772 N HIS A 42 -13.479 -27.758 -10.196 1.00 20.00 N ATOM 773 CA HIS A 42 -12.110 -27.810 -10.703 1.00 20.00 C ATOM 774 C HIS A 42 -12.060 -28.145 -12.200 1.00 20.00 C ATOM 775 O HIS A 42 -11.754 -27.278 -13.012 1.00 20.00 O ATOM 776 CB HIS A 42 -11.201 -28.744 -9.872 1.00 20.00 C ATOM 777 CG HIS A 42 -11.713 -30.138 -9.652 1.00 20.00 C ATOM 778 ND1 HIS A 42 -11.366 -31.203 -10.451 1.00 20.00 N ATOM 779 CD2 HIS A 42 -12.535 -30.640 -8.703 1.00 20.00 C ATOM 780 CE1 HIS A 42 -11.950 -32.297 -10.004 1.00 20.00 C ATOM 781 NE2 HIS A 42 -12.667 -31.983 -8.945 1.00 20.00 N ATOM 0 HA HIS A 42 -11.706 -26.804 -10.587 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -10.232 -28.808 -10.366 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -11.033 -28.283 -8.899 1.00 20.00 H new ATOM 0 HD1 HIS A 42 -10.752 -31.154 -11.264 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -13.001 -30.085 -7.902 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -11.856 -33.284 -10.433 1.00 20.00 H new ATOM 790 N ASP A 43 -12.376 -29.384 -12.574 1.00 20.00 N ATOM 791 CA ASP A 43 -12.219 -29.810 -13.968 1.00 20.00 C ATOM 792 C ASP A 43 -13.541 -29.855 -14.721 1.00 20.00 C ATOM 793 O ASP A 43 -13.809 -29.019 -15.584 1.00 20.00 O ATOM 794 CB ASP A 43 -11.572 -31.195 -14.048 1.00 20.00 C ATOM 795 CG ASP A 43 -10.106 -31.200 -13.682 1.00 20.00 C ATOM 796 OD1 ASP A 43 -9.786 -31.358 -12.486 1.00 20.00 O ATOM 797 OD2 ASP A 43 -9.265 -31.073 -14.593 1.00 20.00 O ATOM 0 H ASP A 43 -12.737 -30.101 -11.945 1.00 20.00 H new ATOM 0 HA ASP A 43 -11.578 -29.063 -14.436 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -12.106 -31.875 -13.384 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -11.686 -31.582 -15.060 1.00 20.00 H new ATOM 802 N GLU A 44 -14.381 -30.813 -14.361 1.00 20.00 N ATOM 803 CA GLU A 44 -15.580 -31.104 -15.135 1.00 20.00 C ATOM 804 C GLU A 44 -16.734 -30.219 -14.720 1.00 20.00 C ATOM 805 O GLU A 44 -17.586 -29.875 -15.532 1.00 20.00 O ATOM 806 CB GLU A 44 -15.972 -32.571 -14.989 1.00 20.00 C ATOM 807 CG GLU A 44 -14.956 -33.538 -15.574 1.00 20.00 C ATOM 808 CD GLU A 44 -14.806 -33.393 -17.074 1.00 20.00 C ATOM 809 OE1 GLU A 44 -15.585 -34.028 -17.818 1.00 20.00 O ATOM 810 OE2 GLU A 44 -13.906 -32.652 -17.520 1.00 20.00 O ATOM 0 H GLU A 44 -14.256 -31.403 -13.538 1.00 20.00 H new ATOM 0 HA GLU A 44 -15.352 -30.899 -16.181 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -16.108 -32.798 -13.932 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -16.934 -32.731 -15.476 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -13.989 -33.374 -15.099 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -15.256 -34.559 -15.340 1.00 20.00 H new ATOM 817 N VAL A 45 -16.766 -29.846 -13.460 1.00 20.00 N ATOM 818 CA VAL A 45 -17.818 -28.976 -12.979 1.00 20.00 C ATOM 819 C VAL A 45 -17.568 -27.550 -13.459 1.00 20.00 C ATOM 820 O VAL A 45 -18.501 -26.823 -13.787 1.00 20.00 O ATOM 821 CB VAL A 45 -17.935 -29.013 -11.444 1.00 20.00 C ATOM 822 CG1 VAL A 45 -19.131 -28.202 -10.969 1.00 20.00 C ATOM 823 CG2 VAL A 45 -18.042 -30.447 -10.959 1.00 20.00 C ATOM 0 H VAL A 45 -16.084 -30.127 -12.756 1.00 20.00 H new ATOM 0 HA VAL A 45 -18.764 -29.336 -13.385 1.00 20.00 H new ATOM 0 HB VAL A 45 -17.034 -28.566 -11.023 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -19.191 -28.245 -9.881 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -19.017 -27.165 -11.286 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -20.044 -28.614 -11.399 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -18.124 -30.458 -9.872 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -18.926 -30.913 -11.395 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -17.153 -31.001 -11.261 1.00 20.00 H new ATOM 833 N GLU A 46 -16.297 -27.170 -13.548 1.00 20.00 N ATOM 834 CA GLU A 46 -15.943 -25.820 -13.977 1.00 20.00 C ATOM 835 C GLU A 46 -16.295 -25.613 -15.439 1.00 20.00 C ATOM 836 O GLU A 46 -16.780 -24.553 -15.820 1.00 20.00 O ATOM 837 CB GLU A 46 -14.457 -25.525 -13.751 1.00 20.00 C ATOM 838 CG GLU A 46 -14.074 -24.095 -14.111 1.00 20.00 C ATOM 839 CD GLU A 46 -12.614 -23.789 -13.861 1.00 20.00 C ATOM 840 OE1 GLU A 46 -11.790 -24.018 -14.771 1.00 20.00 O ATOM 841 OE2 GLU A 46 -12.284 -23.304 -12.761 1.00 20.00 O ATOM 0 H GLU A 46 -15.502 -27.771 -13.331 1.00 20.00 H new ATOM 0 HA GLU A 46 -16.521 -25.125 -13.368 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -14.210 -25.709 -12.705 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -13.860 -26.216 -14.346 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -14.301 -23.919 -15.162 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -14.688 -23.405 -13.532 1.00 20.00 H new ATOM 848 N ARG A 47 -16.072 -26.634 -16.252 1.00 20.00 N ATOM 849 CA ARG A 47 -16.398 -26.552 -17.666 1.00 20.00 C ATOM 850 C ARG A 47 -17.912 -26.479 -17.855 1.00 20.00 C ATOM 851 O ARG A 47 -18.396 -25.975 -18.866 1.00 20.00 O ATOM 852 CB ARG A 47 -15.808 -27.742 -18.427 1.00 20.00 C ATOM 853 CG ARG A 47 -16.483 -29.067 -18.126 1.00 20.00 C ATOM 854 CD ARG A 47 -15.706 -30.239 -18.699 1.00 20.00 C ATOM 855 NE ARG A 47 -15.580 -30.167 -20.149 1.00 20.00 N ATOM 856 CZ ARG A 47 -14.916 -31.060 -20.880 1.00 20.00 C ATOM 857 NH1 ARG A 47 -14.310 -32.089 -20.293 1.00 20.00 N ATOM 858 NH2 ARG A 47 -14.848 -30.917 -22.197 1.00 20.00 N ATOM 0 H ARG A 47 -15.669 -27.524 -15.959 1.00 20.00 H new ATOM 0 HA ARG A 47 -15.957 -25.642 -18.073 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -15.878 -27.546 -19.497 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -14.748 -27.824 -18.186 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -16.581 -29.188 -17.047 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -17.492 -29.063 -18.539 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -14.712 -30.266 -18.252 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -16.204 -31.170 -18.426 1.00 20.00 H new ATOM 0 HE ARG A 47 -16.026 -29.387 -20.632 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -14.353 -32.196 -19.280 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -13.802 -32.771 -20.857 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -15.304 -30.124 -22.648 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -14.340 -31.600 -22.759 1.00 20.00 H new ATOM 872 N ARG A 48 -18.653 -26.968 -16.862 1.00 20.00 N ATOM 873 CA ARG A 48 -20.109 -26.888 -16.878 1.00 20.00 C ATOM 874 C ARG A 48 -20.557 -25.486 -16.479 1.00 20.00 C ATOM 875 O ARG A 48 -21.459 -24.912 -17.090 1.00 20.00 O ATOM 876 CB ARG A 48 -20.722 -27.930 -15.937 1.00 20.00 C ATOM 877 CG ARG A 48 -20.528 -29.366 -16.398 1.00 20.00 C ATOM 878 CD ARG A 48 -21.095 -30.356 -15.393 1.00 20.00 C ATOM 879 NE ARG A 48 -20.881 -31.742 -15.807 1.00 20.00 N ATOM 880 CZ ARG A 48 -21.275 -32.800 -15.100 1.00 20.00 C ATOM 881 NH1 ARG A 48 -21.882 -32.636 -13.931 1.00 20.00 N ATOM 882 NH2 ARG A 48 -21.054 -34.025 -15.560 1.00 20.00 N ATOM 0 H ARG A 48 -18.266 -27.424 -16.036 1.00 20.00 H new ATOM 0 HA ARG A 48 -20.456 -27.098 -17.890 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -20.282 -27.814 -14.946 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -21.789 -27.732 -15.837 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -21.014 -29.508 -17.364 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -19.466 -29.562 -16.544 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -20.630 -30.192 -14.421 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -22.163 -30.176 -15.270 1.00 20.00 H new ATOM 0 HE ARG A 48 -20.401 -31.909 -16.691 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -22.049 -31.697 -13.570 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -22.182 -33.449 -13.393 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -20.582 -34.156 -16.455 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -21.356 -34.835 -15.019 1.00 20.00 H new ATOM 896 N MET A 49 -19.918 -24.937 -15.453 1.00 20.00 N ATOM 897 CA MET A 49 -20.166 -23.557 -15.045 1.00 20.00 C ATOM 898 C MET A 49 -19.747 -22.595 -16.150 1.00 20.00 C ATOM 899 O MET A 49 -20.377 -21.558 -16.363 1.00 20.00 O ATOM 900 CB MET A 49 -19.412 -23.234 -13.751 1.00 20.00 C ATOM 901 CG MET A 49 -20.166 -23.598 -12.479 1.00 20.00 C ATOM 902 SD MET A 49 -20.789 -25.289 -12.472 1.00 20.00 S ATOM 903 CE MET A 49 -21.484 -25.382 -10.825 1.00 20.00 C ATOM 0 H MET A 49 -19.224 -25.425 -14.887 1.00 20.00 H new ATOM 0 HA MET A 49 -21.234 -23.440 -14.863 1.00 20.00 H new ATOM 0 HB2 MET A 49 -18.459 -23.762 -13.758 1.00 20.00 H new ATOM 0 HB3 MET A 49 -19.185 -22.168 -13.733 1.00 20.00 H new ATOM 0 HG2 MET A 49 -19.506 -23.459 -11.623 1.00 20.00 H new ATOM 0 HG3 MET A 49 -21.002 -22.911 -12.352 1.00 20.00 H new ATOM 0 HE1 MET A 49 -21.911 -26.372 -10.666 1.00 20.00 H new ATOM 0 HE2 MET A 49 -20.701 -25.202 -10.089 1.00 20.00 H new ATOM 0 HE3 MET A 49 -22.264 -24.629 -10.716 1.00 20.00 H new ATOM 913 N ALA A 50 -18.683 -22.959 -16.856 1.00 20.00 N ATOM 914 CA ALA A 50 -18.192 -22.183 -17.982 1.00 20.00 C ATOM 915 C ALA A 50 -19.263 -22.033 -19.052 1.00 20.00 C ATOM 916 O ALA A 50 -19.359 -20.990 -19.696 1.00 20.00 O ATOM 917 CB ALA A 50 -16.951 -22.835 -18.567 1.00 20.00 C ATOM 0 H ALA A 50 -18.139 -23.800 -16.662 1.00 20.00 H new ATOM 0 HA ALA A 50 -17.933 -21.188 -17.621 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -16.593 -22.244 -19.410 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -16.174 -22.888 -17.804 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -17.195 -23.842 -18.907 1.00 20.00 H new ATOM 923 N GLU A 51 -20.072 -23.074 -19.222 1.00 20.00 N ATOM 924 CA GLU A 51 -21.175 -23.044 -20.175 1.00 20.00 C ATOM 925 C GLU A 51 -22.154 -21.934 -19.812 1.00 20.00 C ATOM 926 O GLU A 51 -22.645 -21.212 -20.680 1.00 20.00 O ATOM 927 CB GLU A 51 -21.906 -24.389 -20.197 1.00 20.00 C ATOM 928 CG GLU A 51 -21.065 -25.548 -20.706 1.00 20.00 C ATOM 929 CD GLU A 51 -20.635 -25.366 -22.144 1.00 20.00 C ATOM 930 OE1 GLU A 51 -21.408 -25.731 -23.054 1.00 20.00 O ATOM 931 OE2 GLU A 51 -19.521 -24.857 -22.374 1.00 20.00 O ATOM 0 H GLU A 51 -19.983 -23.952 -18.710 1.00 20.00 H new ATOM 0 HA GLU A 51 -20.765 -22.851 -21.166 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -22.249 -24.620 -19.188 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -22.794 -24.297 -20.823 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -20.181 -25.655 -20.077 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -21.635 -26.473 -20.615 1.00 20.00 H new ATOM 938 N ARG A 52 -22.413 -21.796 -18.519 1.00 20.00 N ATOM 939 CA ARG A 52 -23.313 -20.770 -18.021 1.00 20.00 C ATOM 940 C ARG A 52 -22.736 -19.381 -18.275 1.00 20.00 C ATOM 941 O ARG A 52 -23.421 -18.506 -18.797 1.00 20.00 O ATOM 942 CB ARG A 52 -23.568 -20.976 -16.525 1.00 20.00 C ATOM 943 CG ARG A 52 -24.339 -19.843 -15.868 1.00 20.00 C ATOM 944 CD ARG A 52 -24.555 -20.116 -14.391 1.00 20.00 C ATOM 945 NE ARG A 52 -25.149 -18.977 -13.697 1.00 20.00 N ATOM 946 CZ ARG A 52 -25.456 -18.980 -12.401 1.00 20.00 C ATOM 947 NH1 ARG A 52 -25.274 -20.078 -11.674 1.00 20.00 N ATOM 948 NH2 ARG A 52 -25.951 -17.889 -11.835 1.00 20.00 N ATOM 0 H ARG A 52 -22.008 -22.387 -17.793 1.00 20.00 H new ATOM 0 HA ARG A 52 -24.261 -20.850 -18.554 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -24.119 -21.906 -16.385 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -22.611 -21.093 -16.016 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -23.794 -18.907 -15.992 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -25.302 -19.719 -16.363 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -25.201 -20.986 -14.276 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -23.601 -20.364 -13.926 1.00 20.00 H new ATOM 0 HE ARG A 52 -25.340 -18.132 -14.235 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -24.898 -20.921 -12.109 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -25.510 -20.078 -10.682 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -26.097 -17.047 -12.392 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -26.186 -17.891 -10.842 1.00 20.00 H new ATOM 962 N PHE A 53 -21.468 -19.195 -17.930 1.00 20.00 N ATOM 963 CA PHE A 53 -20.810 -17.909 -18.115 1.00 20.00 C ATOM 964 C PHE A 53 -20.719 -17.556 -19.596 1.00 20.00 C ATOM 965 O PHE A 53 -20.796 -16.386 -19.971 1.00 20.00 O ATOM 966 CB PHE A 53 -19.415 -17.925 -17.486 1.00 20.00 C ATOM 967 CG PHE A 53 -19.425 -18.176 -16.001 1.00 20.00 C ATOM 968 CD1 PHE A 53 -20.281 -17.470 -15.167 1.00 20.00 C ATOM 969 CD2 PHE A 53 -18.581 -19.120 -15.439 1.00 20.00 C ATOM 970 CE1 PHE A 53 -20.294 -17.703 -13.805 1.00 20.00 C ATOM 971 CE2 PHE A 53 -18.589 -19.357 -14.076 1.00 20.00 C ATOM 972 CZ PHE A 53 -19.447 -18.647 -13.259 1.00 20.00 C ATOM 0 H PHE A 53 -20.876 -19.918 -17.521 1.00 20.00 H new ATOM 0 HA PHE A 53 -21.408 -17.146 -17.616 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -18.816 -18.695 -17.972 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -18.927 -16.970 -17.681 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -20.945 -16.729 -15.588 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -17.908 -19.678 -16.073 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -20.966 -17.147 -13.168 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -17.925 -20.096 -13.652 1.00 20.00 H new ATOM 0 HZ PHE A 53 -19.455 -18.830 -12.195 1.00 20.00 H new ATOM 982 N ALA A 54 -20.572 -18.577 -20.431 1.00 20.00 N ATOM 983 CA ALA A 54 -20.492 -18.388 -21.872 1.00 20.00 C ATOM 984 C ALA A 54 -21.784 -17.798 -22.426 1.00 20.00 C ATOM 985 O ALA A 54 -21.758 -16.808 -23.155 1.00 20.00 O ATOM 986 CB ALA A 54 -20.177 -19.705 -22.560 1.00 20.00 C ATOM 0 H ALA A 54 -20.506 -19.550 -20.131 1.00 20.00 H new ATOM 0 HA ALA A 54 -19.687 -17.681 -22.073 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -20.120 -19.548 -23.637 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -19.222 -20.085 -22.198 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -20.963 -20.428 -22.339 1.00 20.00 H new ATOM 992 N LYS A 55 -22.919 -18.391 -22.068 1.00 20.00 N ATOM 993 CA LYS A 55 -24.205 -17.908 -22.557 1.00 20.00 C ATOM 994 C LYS A 55 -24.628 -16.639 -21.820 1.00 20.00 C ATOM 995 O LYS A 55 -25.495 -15.898 -22.282 1.00 20.00 O ATOM 996 CB LYS A 55 -25.283 -19.002 -22.463 1.00 20.00 C ATOM 997 CG LYS A 55 -25.493 -19.601 -21.071 1.00 20.00 C ATOM 998 CD LYS A 55 -26.332 -18.713 -20.160 1.00 20.00 C ATOM 999 CE LYS A 55 -27.738 -18.486 -20.702 1.00 20.00 C ATOM 1000 NZ LYS A 55 -28.496 -19.757 -20.870 1.00 20.00 N ATOM 0 H LYS A 55 -22.975 -19.199 -21.447 1.00 20.00 H new ATOM 0 HA LYS A 55 -24.090 -17.655 -23.611 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -26.230 -18.585 -22.807 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -25.020 -19.807 -23.150 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -25.978 -20.572 -21.169 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -24.522 -19.775 -20.606 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -26.396 -19.169 -19.172 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -25.834 -17.751 -20.036 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -28.283 -17.828 -20.025 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -27.676 -17.974 -21.662 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -29.489 -19.542 -21.093 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -28.079 -20.310 -21.645 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -28.451 -20.307 -19.989 1.00 20.00 H new ATOM 1014 N MET A 56 -24.005 -16.400 -20.675 1.00 20.00 N ATOM 1015 CA MET A 56 -24.255 -15.193 -19.897 1.00 20.00 C ATOM 1016 C MET A 56 -23.491 -14.020 -20.501 1.00 20.00 C ATOM 1017 O MET A 56 -23.788 -12.854 -20.230 1.00 20.00 O ATOM 1018 CB MET A 56 -23.841 -15.408 -18.438 1.00 20.00 C ATOM 1019 CG MET A 56 -24.172 -14.244 -17.515 1.00 20.00 C ATOM 1020 SD MET A 56 -23.646 -14.543 -15.817 1.00 20.00 S ATOM 1021 CE MET A 56 -24.252 -13.060 -15.019 1.00 20.00 C ATOM 0 H MET A 56 -23.318 -17.030 -20.261 1.00 20.00 H new ATOM 0 HA MET A 56 -25.321 -14.968 -19.923 1.00 20.00 H new ATOM 0 HB2 MET A 56 -24.332 -16.306 -18.062 1.00 20.00 H new ATOM 0 HB3 MET A 56 -22.767 -15.592 -18.401 1.00 20.00 H new ATOM 0 HG2 MET A 56 -23.691 -13.340 -17.888 1.00 20.00 H new ATOM 0 HG3 MET A 56 -25.247 -14.064 -17.533 1.00 20.00 H new ATOM 0 HE1 MET A 56 -24.005 -13.091 -13.958 1.00 20.00 H new ATOM 0 HE2 MET A 56 -23.787 -12.186 -15.474 1.00 20.00 H new ATOM 0 HE3 MET A 56 -25.334 -12.999 -15.138 1.00 20.00 H new ATOM 1031 N ARG A 57 -22.506 -14.343 -21.330 1.00 20.00 N ATOM 1032 CA ARG A 57 -21.713 -13.335 -22.017 1.00 20.00 C ATOM 1033 C ARG A 57 -22.581 -12.599 -23.033 1.00 20.00 C ATOM 1034 O ARG A 57 -22.372 -11.417 -23.308 1.00 20.00 O ATOM 1035 CB ARG A 57 -20.513 -13.990 -22.704 1.00 20.00 C ATOM 1036 CG ARG A 57 -19.543 -13.005 -23.333 1.00 20.00 C ATOM 1037 CD ARG A 57 -18.349 -13.723 -23.944 1.00 20.00 C ATOM 1038 NE ARG A 57 -18.744 -14.622 -25.029 1.00 20.00 N ATOM 1039 CZ ARG A 57 -18.308 -15.876 -25.163 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -17.485 -16.406 -24.265 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -18.700 -16.604 -26.200 1.00 20.00 N ATOM 0 H ARG A 57 -22.237 -15.304 -21.543 1.00 20.00 H new ATOM 0 HA ARG A 57 -21.340 -12.613 -21.290 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -19.976 -14.596 -21.974 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -20.876 -14.669 -23.476 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -20.055 -12.427 -24.102 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -19.198 -12.298 -22.579 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -17.639 -12.988 -24.323 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -17.834 -14.293 -23.170 1.00 20.00 H new ATOM 0 HE ARG A 57 -19.395 -14.267 -25.729 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -17.180 -15.853 -23.464 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -17.158 -17.366 -24.377 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -19.333 -16.205 -26.893 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -18.368 -17.563 -26.305 1.00 20.00 H new