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=-0.000353 K(o=-0.00035,f=-0.98) USER MOD Single : A 19 ASN : amide:sc= -0.751 K(o=-0.75,f=0) USER MOD Single : A 20 SER OG : rot 66:sc= 1.24 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= 1.06 (180deg=-0.11) USER MOD Single : A 42 HIS : no HD1:sc=-0.00388 X(o=-0.0039,f=-0.00087) USER MOD Single : A 49 MET CE :methyl 179:sc= 0 (180deg=-0.0012) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -30.642 1.876 4.976 1.00 20.00 N ATOM 365 CA GLU A 16 -31.467 0.697 4.725 1.00 20.00 C ATOM 366 C GLU A 16 -30.848 -0.210 3.666 1.00 20.00 C ATOM 367 O GLU A 16 -31.108 -1.411 3.637 1.00 20.00 O ATOM 368 CB GLU A 16 -32.876 1.118 4.296 1.00 20.00 C ATOM 369 CG GLU A 16 -32.919 1.943 3.017 1.00 20.00 C ATOM 370 CD GLU A 16 -34.330 2.301 2.611 1.00 20.00 C ATOM 371 OE1 GLU A 16 -34.993 1.463 1.967 1.00 20.00 O ATOM 372 OE2 GLU A 16 -34.789 3.418 2.943 1.00 20.00 O ATOM 0 HA GLU A 16 -31.526 0.132 5.655 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -33.484 0.224 4.159 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -33.332 1.693 5.102 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.341 2.856 3.157 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.442 1.385 2.211 1.00 20.00 H new ATOM 379 N GLN A 17 -30.021 0.367 2.803 1.00 20.00 N ATOM 380 CA GLN A 17 -29.339 -0.401 1.763 1.00 20.00 C ATOM 381 C GLN A 17 -28.349 -1.383 2.382 1.00 20.00 C ATOM 382 O GLN A 17 -28.039 -2.417 1.795 1.00 20.00 O ATOM 383 CB GLN A 17 -28.605 0.530 0.793 1.00 20.00 C ATOM 384 CG GLN A 17 -29.518 1.493 0.049 1.00 20.00 C ATOM 385 CD GLN A 17 -28.742 2.498 -0.782 1.00 20.00 C ATOM 386 OE1 GLN A 17 -27.610 2.855 -0.444 1.00 20.00 O ATOM 387 NE2 GLN A 17 -29.340 2.967 -1.866 1.00 20.00 N ATOM 0 H GLN A 17 -29.805 1.364 2.801 1.00 20.00 H new ATOM 0 HA GLN A 17 -30.094 -0.960 1.210 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -27.863 1.104 1.348 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -28.062 -0.074 0.066 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -30.187 0.928 -0.600 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -30.144 2.024 0.766 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -30.277 2.646 -2.111 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -28.864 3.649 -2.456 1.00 20.00 H new ATOM 396 N GLU A 18 -27.887 -1.069 3.591 1.00 20.00 N ATOM 397 CA GLU A 18 -26.914 -1.907 4.291 1.00 20.00 C ATOM 398 C GLU A 18 -27.572 -3.211 4.745 1.00 20.00 C ATOM 399 O GLU A 18 -26.912 -4.122 5.239 1.00 20.00 O ATOM 400 CB GLU A 18 -26.340 -1.157 5.500 1.00 20.00 C ATOM 401 CG GLU A 18 -25.090 -1.789 6.097 1.00 20.00 C ATOM 402 CD GLU A 18 -23.869 -1.631 5.211 1.00 20.00 C ATOM 403 OE1 GLU A 18 -23.219 -0.566 5.276 1.00 20.00 O ATOM 404 OE2 GLU A 18 -23.550 -2.565 4.447 1.00 20.00 O ATOM 0 H GLU A 18 -28.172 -0.237 4.108 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.099 -2.143 3.606 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.108 -0.135 5.201 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.107 -1.097 6.273 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -24.889 -1.337 7.068 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.272 -2.850 6.270 1.00 20.00 H new ATOM 411 N ASN A 19 -28.885 -3.299 4.574 1.00 20.00 N ATOM 412 CA ASN A 19 -29.608 -4.538 4.847 1.00 20.00 C ATOM 413 C ASN A 19 -29.209 -5.605 3.837 1.00 20.00 C ATOM 414 O ASN A 19 -29.324 -6.800 4.102 1.00 20.00 O ATOM 415 CB ASN A 19 -31.125 -4.320 4.810 1.00 20.00 C ATOM 416 CG ASN A 19 -31.690 -3.814 6.126 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.843 -4.084 6.459 1.00 20.00 O ATOM 418 ND2 ASN A 19 -30.889 -3.085 6.889 1.00 20.00 N ATOM 0 H ASN A 19 -29.471 -2.530 4.248 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.341 -4.870 5.850 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.364 -3.606 4.021 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.614 -5.259 4.549 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.223 -2.728 7.784 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -29.938 -2.881 6.581 1.00 20.00 H new ATOM 425 N SER A 20 -28.709 -5.164 2.687 1.00 20.00 N ATOM 426 CA SER A 20 -28.263 -6.077 1.645 1.00 20.00 C ATOM 427 C SER A 20 -26.982 -6.785 2.086 1.00 20.00 C ATOM 428 O SER A 20 -26.647 -7.858 1.588 1.00 20.00 O ATOM 429 CB SER A 20 -28.038 -5.317 0.332 1.00 20.00 C ATOM 430 OG SER A 20 -27.832 -6.210 -0.750 1.00 20.00 O ATOM 0 H SER A 20 -28.603 -4.177 2.454 1.00 20.00 H new ATOM 0 HA SER A 20 -29.035 -6.828 1.476 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.900 -4.683 0.124 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.175 -4.659 0.433 1.00 20.00 H new ATOM 0 HG SER A 20 -28.654 -6.718 -0.916 1.00 20.00 H new ATOM 436 N TYR A 21 -26.288 -6.185 3.049 1.00 20.00 N ATOM 437 CA TYR A 21 -25.079 -6.769 3.623 1.00 20.00 C ATOM 438 C TYR A 21 -25.393 -8.125 4.250 1.00 20.00 C ATOM 439 O TYR A 21 -24.569 -9.041 4.234 1.00 20.00 O ATOM 440 CB TYR A 21 -24.500 -5.808 4.668 1.00 20.00 C ATOM 441 CG TYR A 21 -23.283 -6.323 5.406 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.029 -6.314 4.811 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.389 -6.803 6.706 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.917 -6.772 5.489 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.280 -7.260 7.391 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.048 -7.243 6.779 1.00 20.00 C ATOM 447 OH TYR A 21 -19.939 -7.698 7.459 1.00 20.00 O ATOM 0 H TYR A 21 -26.546 -5.284 3.452 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.341 -6.925 2.836 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.238 -4.873 4.174 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.277 -5.576 5.397 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.922 -5.943 3.802 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.355 -6.819 7.189 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.948 -6.762 5.011 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.379 -7.629 8.401 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.203 -7.994 8.355 1.00 20.00 H new ATOM 457 N ASN A 22 -26.609 -8.253 4.773 1.00 20.00 N ATOM 458 CA ASN A 22 -27.062 -9.499 5.386 1.00 20.00 C ATOM 459 C ASN A 22 -27.169 -10.603 4.339 1.00 20.00 C ATOM 460 O ASN A 22 -26.949 -11.778 4.638 1.00 20.00 O ATOM 461 CB ASN A 22 -28.415 -9.297 6.077 1.00 20.00 C ATOM 462 CG ASN A 22 -28.909 -10.548 6.787 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.605 -11.378 6.200 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.561 -10.690 8.057 1.00 20.00 N ATOM 0 H ASN A 22 -27.302 -7.505 4.785 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.328 -9.797 6.134 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.331 -8.485 6.799 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.153 -8.990 5.336 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.871 -11.508 8.582 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -27.983 -9.982 8.510 1.00 20.00 H new ATOM 471 N GLU A 23 -27.479 -10.216 3.107 1.00 20.00 N ATOM 472 CA GLU A 23 -27.599 -11.169 2.012 1.00 20.00 C ATOM 473 C GLU A 23 -26.242 -11.792 1.711 1.00 20.00 C ATOM 474 O GLU A 23 -26.131 -13.001 1.510 1.00 20.00 O ATOM 475 CB GLU A 23 -28.152 -10.491 0.757 1.00 20.00 C ATOM 476 CG GLU A 23 -29.523 -9.862 0.948 1.00 20.00 C ATOM 477 CD GLU A 23 -30.047 -9.223 -0.320 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.643 -8.084 -0.632 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.865 -9.859 -1.016 1.00 20.00 O ATOM 0 H GLU A 23 -27.652 -9.246 2.842 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.295 -11.952 2.315 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -27.452 -9.721 0.434 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.209 -11.226 -0.046 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.226 -10.624 1.284 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.468 -9.110 1.735 1.00 20.00 H new ATOM 486 N TRP A 24 -25.209 -10.958 1.716 1.00 20.00 N ATOM 487 CA TRP A 24 -23.845 -11.416 1.478 1.00 20.00 C ATOM 488 C TRP A 24 -23.375 -12.313 2.619 1.00 20.00 C ATOM 489 O TRP A 24 -22.491 -13.154 2.448 1.00 20.00 O ATOM 490 CB TRP A 24 -22.897 -10.223 1.320 1.00 20.00 C ATOM 491 CG TRP A 24 -23.187 -9.385 0.110 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.230 -8.523 -0.058 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.419 -9.323 -1.099 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.170 -7.943 -1.300 1.00 20.00 N ATOM 495 CE2 TRP A 24 -23.063 -8.412 -1.955 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.250 -9.952 -1.542 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -22.579 -8.114 -3.228 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -20.770 -9.653 -2.804 1.00 20.00 C ATOM 499 CH2 TRP A 24 -21.433 -8.741 -3.633 1.00 20.00 C ATOM 0 H TRP A 24 -25.291 -9.955 1.883 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.835 -11.994 0.554 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.962 -9.597 2.210 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -21.872 -10.589 1.262 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.993 -8.325 0.680 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -24.841 -7.272 -1.674 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -20.732 -10.658 -0.910 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -23.091 -7.413 -3.871 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.868 -10.132 -3.156 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -21.031 -8.528 -4.613 1.00 20.00 H new ATOM 510 N LEU A 25 -23.970 -12.125 3.788 1.00 20.00 N ATOM 511 CA LEU A 25 -23.670 -12.964 4.936 1.00 20.00 C ATOM 512 C LEU A 25 -24.344 -14.321 4.781 1.00 20.00 C ATOM 513 O LEU A 25 -23.710 -15.363 4.943 1.00 20.00 O ATOM 514 CB LEU A 25 -24.131 -12.290 6.232 1.00 20.00 C ATOM 515 CG LEU A 25 -23.491 -10.931 6.532 1.00 20.00 C ATOM 516 CD1 LEU A 25 -24.018 -10.375 7.847 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.973 -11.046 6.575 1.00 20.00 C ATOM 0 H LEU A 25 -24.663 -11.398 3.965 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.591 -13.108 4.988 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.213 -12.161 6.189 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.923 -12.962 7.065 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.759 -10.243 5.730 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.554 -9.409 8.046 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -25.099 -10.251 7.783 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.779 -11.066 8.656 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.540 -10.069 6.789 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.683 -11.750 7.355 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.608 -11.401 5.611 1.00 20.00 H new ATOM 529 N ARG A 26 -25.625 -14.300 4.429 1.00 20.00 N ATOM 530 CA ARG A 26 -26.394 -15.528 4.258 1.00 20.00 C ATOM 531 C ARG A 26 -25.871 -16.343 3.081 1.00 20.00 C ATOM 532 O ARG A 26 -25.971 -17.571 3.073 1.00 20.00 O ATOM 533 CB ARG A 26 -27.877 -15.213 4.065 1.00 20.00 C ATOM 534 CG ARG A 26 -28.551 -14.659 5.311 1.00 20.00 C ATOM 535 CD ARG A 26 -28.540 -15.668 6.453 1.00 20.00 C ATOM 536 NE ARG A 26 -29.201 -16.921 6.084 1.00 20.00 N ATOM 537 CZ ARG A 26 -29.088 -18.062 6.767 1.00 20.00 C ATOM 538 NH1 ARG A 26 -28.349 -18.115 7.871 1.00 20.00 N ATOM 539 NH2 ARG A 26 -29.721 -19.150 6.344 1.00 20.00 N ATOM 0 H ARG A 26 -26.154 -13.445 4.256 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.278 -16.123 5.164 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.984 -14.493 3.254 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.395 -16.121 3.755 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.042 -13.748 5.625 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.580 -14.385 5.077 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -27.510 -15.874 6.745 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.038 -15.238 7.322 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.787 -16.922 5.249 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -27.864 -17.280 8.201 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -28.267 -18.990 8.388 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.292 -19.112 5.499 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -29.637 -20.024 6.864 1.00 20.00 H new ATOM 553 N ALA A 27 -25.317 -15.659 2.088 1.00 20.00 N ATOM 554 CA ALA A 27 -24.691 -16.327 0.957 1.00 20.00 C ATOM 555 C ALA A 27 -23.498 -17.150 1.421 1.00 20.00 C ATOM 556 O ALA A 27 -23.279 -18.270 0.959 1.00 20.00 O ATOM 557 CB ALA A 27 -24.263 -15.313 -0.091 1.00 20.00 C ATOM 0 H ALA A 27 -25.289 -14.640 2.044 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.421 -16.999 0.506 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.797 -15.831 -0.929 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.136 -14.764 -0.444 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.549 -14.616 0.347 1.00 20.00 H new ATOM 563 N LYS A 28 -22.742 -16.588 2.356 1.00 20.00 N ATOM 564 CA LYS A 28 -21.582 -17.270 2.913 1.00 20.00 C ATOM 565 C LYS A 28 -22.011 -18.420 3.814 1.00 20.00 C ATOM 566 O LYS A 28 -21.397 -19.486 3.804 1.00 20.00 O ATOM 567 CB LYS A 28 -20.694 -16.295 3.695 1.00 20.00 C ATOM 568 CG LYS A 28 -19.897 -15.345 2.810 1.00 20.00 C ATOM 569 CD LYS A 28 -18.873 -14.554 3.613 1.00 20.00 C ATOM 570 CE LYS A 28 -19.519 -13.460 4.457 1.00 20.00 C ATOM 571 NZ LYS A 28 -20.085 -12.376 3.613 1.00 20.00 N ATOM 0 H LYS A 28 -22.912 -15.660 2.745 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.005 -17.674 2.081 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.319 -15.710 4.370 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.002 -16.865 4.315 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.389 -15.913 2.031 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -20.578 -14.656 2.309 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.321 -15.233 4.263 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.149 -14.105 2.933 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -20.309 -13.893 5.071 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.779 -13.041 5.139 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -20.094 -11.486 4.151 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -19.501 -12.259 2.760 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -21.057 -12.623 3.336 1.00 20.00 H new ATOM 585 N VAL A 29 -23.073 -18.203 4.581 1.00 20.00 N ATOM 586 CA VAL A 29 -23.596 -19.227 5.479 1.00 20.00 C ATOM 587 C VAL A 29 -24.091 -20.442 4.696 1.00 20.00 C ATOM 588 O VAL A 29 -23.952 -21.581 5.139 1.00 20.00 O ATOM 589 CB VAL A 29 -24.741 -18.677 6.357 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.317 -19.768 7.244 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.254 -17.510 7.200 1.00 20.00 C ATOM 0 H VAL A 29 -23.591 -17.324 4.599 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.775 -19.532 6.128 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.532 -18.322 5.697 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.122 -19.355 7.852 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.709 -20.573 6.622 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.535 -20.159 7.894 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.075 -17.136 7.812 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.442 -17.842 7.846 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.896 -16.714 6.547 1.00 20.00 H new ATOM 772 N HIS A 42 -20.635 -21.845 17.789 1.00 20.00 N ATOM 773 CA HIS A 42 -20.266 -20.598 17.129 1.00 20.00 C ATOM 774 C HIS A 42 -21.446 -19.638 17.079 1.00 20.00 C ATOM 775 O HIS A 42 -21.263 -18.421 17.097 1.00 20.00 O ATOM 776 CB HIS A 42 -19.733 -20.850 15.711 1.00 20.00 C ATOM 777 CG HIS A 42 -18.455 -21.631 15.680 1.00 20.00 C ATOM 778 ND1 HIS A 42 -18.191 -22.607 14.745 1.00 20.00 N ATOM 779 CD2 HIS A 42 -17.358 -21.567 16.473 1.00 20.00 C ATOM 780 CE1 HIS A 42 -16.993 -23.114 14.966 1.00 20.00 C ATOM 781 NE2 HIS A 42 -16.467 -22.499 16.007 1.00 20.00 N ATOM 0 HA HIS A 42 -19.469 -20.144 17.718 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -20.490 -21.385 15.137 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -19.576 -19.892 15.216 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -17.213 -20.906 17.314 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -16.523 -23.899 14.392 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -15.545 -22.686 16.402 1.00 20.00 H new ATOM 790 N ASP A 43 -22.658 -20.187 17.052 1.00 20.00 N ATOM 791 CA ASP A 43 -23.859 -19.359 16.993 1.00 20.00 C ATOM 792 C ASP A 43 -24.058 -18.627 18.317 1.00 20.00 C ATOM 793 O ASP A 43 -24.634 -17.541 18.357 1.00 20.00 O ATOM 794 CB ASP A 43 -25.103 -20.194 16.640 1.00 20.00 C ATOM 795 CG ASP A 43 -25.632 -21.027 17.795 1.00 20.00 C ATOM 796 OD1 ASP A 43 -24.939 -21.973 18.226 1.00 20.00 O ATOM 797 OD2 ASP A 43 -26.765 -20.762 18.252 1.00 20.00 O ATOM 0 H ASP A 43 -22.834 -21.192 17.070 1.00 20.00 H new ATOM 0 HA ASP A 43 -23.724 -18.623 16.200 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -25.892 -19.525 16.296 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -24.861 -20.856 15.808 1.00 20.00 H new ATOM 802 N GLU A 44 -23.548 -19.217 19.392 1.00 20.00 N ATOM 803 CA GLU A 44 -23.600 -18.595 20.710 1.00 20.00 C ATOM 804 C GLU A 44 -22.580 -17.469 20.814 1.00 20.00 C ATOM 805 O GLU A 44 -22.808 -16.461 21.482 1.00 20.00 O ATOM 806 CB GLU A 44 -23.341 -19.632 21.803 1.00 20.00 C ATOM 807 CG GLU A 44 -24.511 -20.569 22.042 1.00 20.00 C ATOM 808 CD GLU A 44 -25.702 -19.860 22.646 1.00 20.00 C ATOM 809 OE1 GLU A 44 -25.664 -19.561 23.859 1.00 20.00 O ATOM 810 OE2 GLU A 44 -26.682 -19.599 21.919 1.00 20.00 O ATOM 0 H GLU A 44 -23.092 -20.129 19.376 1.00 20.00 H new ATOM 0 HA GLU A 44 -24.598 -18.178 20.847 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -22.464 -20.221 21.533 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -23.104 -19.116 22.733 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -24.805 -21.027 21.098 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -24.198 -21.376 22.704 1.00 20.00 H new ATOM 817 N VAL A 45 -21.454 -17.649 20.145 1.00 20.00 N ATOM 818 CA VAL A 45 -20.401 -16.646 20.141 1.00 20.00 C ATOM 819 C VAL A 45 -20.799 -15.465 19.263 1.00 20.00 C ATOM 820 O VAL A 45 -20.655 -14.304 19.652 1.00 20.00 O ATOM 821 CB VAL A 45 -19.064 -17.239 19.641 1.00 20.00 C ATOM 822 CG1 VAL A 45 -17.959 -16.195 19.665 1.00 20.00 C ATOM 823 CG2 VAL A 45 -18.675 -18.447 20.476 1.00 20.00 C ATOM 0 H VAL A 45 -21.244 -18.483 19.596 1.00 20.00 H new ATOM 0 HA VAL A 45 -20.263 -16.304 21.167 1.00 20.00 H new ATOM 0 HB VAL A 45 -19.201 -17.559 18.608 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -17.030 -16.640 19.308 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -18.233 -15.360 19.020 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -17.821 -15.835 20.684 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -17.731 -18.853 20.111 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -18.563 -18.148 21.518 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -19.451 -19.208 20.399 1.00 20.00 H new ATOM 833 N GLU A 46 -21.335 -15.780 18.090 1.00 20.00 N ATOM 834 CA GLU A 46 -21.743 -14.770 17.119 1.00 20.00 C ATOM 835 C GLU A 46 -22.835 -13.861 17.684 1.00 20.00 C ATOM 836 O GLU A 46 -22.784 -12.642 17.521 1.00 20.00 O ATOM 837 CB GLU A 46 -22.226 -15.450 15.834 1.00 20.00 C ATOM 838 CG GLU A 46 -22.596 -14.489 14.718 1.00 20.00 C ATOM 839 CD GLU A 46 -22.917 -15.205 13.425 1.00 20.00 C ATOM 840 OE1 GLU A 46 -23.872 -16.010 13.405 1.00 20.00 O ATOM 841 OE2 GLU A 46 -22.212 -14.974 12.421 1.00 20.00 O ATOM 0 H GLU A 46 -21.499 -16.739 17.785 1.00 20.00 H new ATOM 0 HA GLU A 46 -20.879 -14.146 16.893 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -21.444 -16.120 15.476 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -23.093 -16.068 16.068 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -23.457 -13.894 15.024 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -21.772 -13.795 14.551 1.00 20.00 H new ATOM 848 N ARG A 47 -23.810 -14.451 18.368 1.00 20.00 N ATOM 849 CA ARG A 47 -24.910 -13.678 18.940 1.00 20.00 C ATOM 850 C ARG A 47 -24.419 -12.806 20.093 1.00 20.00 C ATOM 851 O ARG A 47 -25.040 -11.798 20.432 1.00 20.00 O ATOM 852 CB ARG A 47 -26.036 -14.606 19.409 1.00 20.00 C ATOM 853 CG ARG A 47 -25.651 -15.498 20.577 1.00 20.00 C ATOM 854 CD ARG A 47 -26.701 -16.565 20.840 1.00 20.00 C ATOM 855 NE ARG A 47 -27.995 -15.997 21.207 1.00 20.00 N ATOM 856 CZ ARG A 47 -29.008 -16.714 21.687 1.00 20.00 C ATOM 857 NH1 ARG A 47 -28.855 -18.011 21.931 1.00 20.00 N ATOM 858 NH2 ARG A 47 -30.165 -16.125 21.953 1.00 20.00 N ATOM 0 H ARG A 47 -23.862 -15.455 18.540 1.00 20.00 H new ATOM 0 HA ARG A 47 -25.305 -13.024 18.162 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -26.897 -14.001 19.694 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -26.349 -15.232 18.574 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -24.692 -15.974 20.371 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -25.519 -14.889 21.472 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -26.818 -17.182 19.949 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -26.356 -17.221 21.639 1.00 20.00 H new ATOM 0 HE ARG A 47 -28.130 -14.993 21.089 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -27.958 -18.462 21.750 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -29.635 -18.556 22.299 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -30.277 -15.124 21.790 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -30.943 -16.672 22.321 1.00 20.00 H new ATOM 872 N ARG A 48 -23.295 -13.188 20.686 1.00 20.00 N ATOM 873 CA ARG A 48 -22.695 -12.403 21.752 1.00 20.00 C ATOM 874 C ARG A 48 -21.895 -11.253 21.149 1.00 20.00 C ATOM 875 O ARG A 48 -21.774 -10.180 21.740 1.00 20.00 O ATOM 876 CB ARG A 48 -21.809 -13.290 22.632 1.00 20.00 C ATOM 877 CG ARG A 48 -21.220 -12.574 23.839 1.00 20.00 C ATOM 878 CD ARG A 48 -20.552 -13.552 24.795 1.00 20.00 C ATOM 879 NE ARG A 48 -19.474 -14.304 24.154 1.00 20.00 N ATOM 880 CZ ARG A 48 -19.341 -15.632 24.224 1.00 20.00 C ATOM 881 NH1 ARG A 48 -20.253 -16.370 24.850 1.00 20.00 N ATOM 882 NH2 ARG A 48 -18.299 -16.224 23.654 1.00 20.00 N ATOM 0 H ARG A 48 -22.782 -14.036 20.446 1.00 20.00 H new ATOM 0 HA ARG A 48 -23.481 -11.987 22.383 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -22.395 -14.142 22.978 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -20.995 -13.688 22.026 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -20.492 -11.835 23.505 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -22.008 -12.032 24.362 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -20.153 -13.006 25.650 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -21.298 -14.247 25.180 1.00 20.00 H new ATOM 0 HE ARG A 48 -18.780 -13.782 23.620 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -21.062 -15.923 25.282 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -20.144 -17.383 24.899 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -17.601 -15.666 23.163 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -18.196 -17.237 23.707 1.00 20.00 H new ATOM 896 N MET A 49 -21.374 -11.482 19.948 1.00 20.00 N ATOM 897 CA MET A 49 -20.666 -10.445 19.208 1.00 20.00 C ATOM 898 C MET A 49 -21.624 -9.330 18.816 1.00 20.00 C ATOM 899 O MET A 49 -21.225 -8.174 18.677 1.00 20.00 O ATOM 900 CB MET A 49 -20.009 -11.028 17.959 1.00 20.00 C ATOM 901 CG MET A 49 -18.908 -12.028 18.260 1.00 20.00 C ATOM 902 SD MET A 49 -17.542 -11.304 19.191 1.00 20.00 S ATOM 903 CE MET A 49 -16.433 -12.706 19.300 1.00 20.00 C ATOM 0 H MET A 49 -21.429 -12.379 19.466 1.00 20.00 H new ATOM 0 HA MET A 49 -19.888 -10.036 19.853 1.00 20.00 H new ATOM 0 HB2 MET A 49 -20.772 -11.513 17.351 1.00 20.00 H new ATOM 0 HB3 MET A 49 -19.596 -10.214 17.363 1.00 20.00 H new ATOM 0 HG2 MET A 49 -19.325 -12.862 18.825 1.00 20.00 H new ATOM 0 HG3 MET A 49 -18.528 -12.436 17.323 1.00 20.00 H new ATOM 0 HE1 MET A 49 -15.529 -12.414 19.834 1.00 20.00 H new ATOM 0 HE2 MET A 49 -16.925 -13.518 19.835 1.00 20.00 H new ATOM 0 HE3 MET A 49 -16.169 -13.040 18.297 1.00 20.00 H new ATOM 913 N ALA A 50 -22.891 -9.691 18.648 1.00 20.00 N ATOM 914 CA ALA A 50 -23.934 -8.725 18.327 1.00 20.00 C ATOM 915 C ALA A 50 -24.032 -7.657 19.408 1.00 20.00 C ATOM 916 O ALA A 50 -24.159 -6.468 19.110 1.00 20.00 O ATOM 917 CB ALA A 50 -25.271 -9.429 18.153 1.00 20.00 C ATOM 0 H ALA A 50 -23.222 -10.652 18.730 1.00 20.00 H new ATOM 0 HA ALA A 50 -23.672 -8.237 17.388 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -26.040 -8.695 17.914 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -25.197 -10.155 17.343 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -25.535 -9.943 19.078 1.00 20.00 H new ATOM 923 N GLU A 51 -23.954 -8.085 20.663 1.00 20.00 N ATOM 924 CA GLU A 51 -23.987 -7.159 21.788 1.00 20.00 C ATOM 925 C GLU A 51 -22.736 -6.291 21.800 1.00 20.00 C ATOM 926 O GLU A 51 -22.784 -5.117 22.170 1.00 20.00 O ATOM 927 CB GLU A 51 -24.115 -7.908 23.116 1.00 20.00 C ATOM 928 CG GLU A 51 -25.471 -8.558 23.328 1.00 20.00 C ATOM 929 CD GLU A 51 -25.655 -9.066 24.743 1.00 20.00 C ATOM 930 OE1 GLU A 51 -25.816 -8.237 25.664 1.00 20.00 O ATOM 931 OE2 GLU A 51 -25.662 -10.299 24.943 1.00 20.00 O ATOM 0 H GLU A 51 -23.868 -9.067 20.926 1.00 20.00 H new ATOM 0 HA GLU A 51 -24.862 -6.520 21.668 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -23.343 -8.676 23.164 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -23.924 -7.213 23.934 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -26.256 -7.837 23.099 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -25.586 -9.387 22.630 1.00 20.00 H new ATOM 938 N ARG A 52 -21.623 -6.871 21.377 1.00 20.00 N ATOM 939 CA ARG A 52 -20.364 -6.145 21.311 1.00 20.00 C ATOM 940 C ARG A 52 -20.413 -5.076 20.228 1.00 20.00 C ATOM 941 O ARG A 52 -19.815 -4.017 20.372 1.00 20.00 O ATOM 942 CB ARG A 52 -19.197 -7.099 21.054 1.00 20.00 C ATOM 943 CG ARG A 52 -18.853 -7.987 22.238 1.00 20.00 C ATOM 944 CD ARG A 52 -17.667 -8.878 21.926 1.00 20.00 C ATOM 945 NE ARG A 52 -17.198 -9.602 23.103 1.00 20.00 N ATOM 946 CZ ARG A 52 -16.103 -10.359 23.119 1.00 20.00 C ATOM 947 NH1 ARG A 52 -15.375 -10.500 22.018 1.00 20.00 N ATOM 948 NH2 ARG A 52 -15.731 -10.969 24.237 1.00 20.00 N ATOM 0 H ARG A 52 -21.566 -7.843 21.074 1.00 20.00 H new ATOM 0 HA ARG A 52 -20.209 -5.659 22.274 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -19.438 -7.729 20.198 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -18.317 -6.516 20.783 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -18.628 -7.369 23.107 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -19.715 -8.601 22.498 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -17.944 -9.591 21.149 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -16.854 -8.272 21.526 1.00 20.00 H new ATOM 0 HE ARG A 52 -17.741 -9.524 23.963 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -15.654 -10.028 21.158 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -14.536 -11.080 22.032 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -16.284 -10.858 25.087 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -14.892 -11.548 24.247 1.00 20.00 H new ATOM 962 N PHE A 53 -21.141 -5.356 19.151 1.00 20.00 N ATOM 963 CA PHE A 53 -21.307 -4.393 18.066 1.00 20.00 C ATOM 964 C PHE A 53 -22.010 -3.134 18.571 1.00 20.00 C ATOM 965 O PHE A 53 -21.740 -2.025 18.109 1.00 20.00 O ATOM 966 CB PHE A 53 -22.098 -5.016 16.912 1.00 20.00 C ATOM 967 CG PHE A 53 -22.292 -4.088 15.743 1.00 20.00 C ATOM 968 CD1 PHE A 53 -21.244 -3.812 14.875 1.00 20.00 C ATOM 969 CD2 PHE A 53 -23.521 -3.484 15.516 1.00 20.00 C ATOM 970 CE1 PHE A 53 -21.420 -2.955 13.806 1.00 20.00 C ATOM 971 CE2 PHE A 53 -23.699 -2.628 14.448 1.00 20.00 C ATOM 972 CZ PHE A 53 -22.648 -2.362 13.592 1.00 20.00 C ATOM 0 H PHE A 53 -21.626 -6.242 19.006 1.00 20.00 H new ATOM 0 HA PHE A 53 -20.319 -4.116 17.699 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -21.581 -5.913 16.571 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -23.074 -5.331 17.280 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -20.281 -4.272 15.037 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -24.347 -3.686 16.182 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -20.597 -2.749 13.138 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -24.661 -2.166 14.281 1.00 20.00 H new ATOM 0 HZ PHE A 53 -22.787 -1.691 12.757 1.00 20.00 H new ATOM 982 N ALA A 54 -22.902 -3.315 19.536 1.00 20.00 N ATOM 983 CA ALA A 54 -23.603 -2.197 20.148 1.00 20.00 C ATOM 984 C ALA A 54 -22.625 -1.314 20.918 1.00 20.00 C ATOM 985 O ALA A 54 -22.784 -0.093 20.981 1.00 20.00 O ATOM 986 CB ALA A 54 -24.706 -2.705 21.063 1.00 20.00 C ATOM 0 H ALA A 54 -23.157 -4.228 19.912 1.00 20.00 H new ATOM 0 HA ALA A 54 -24.059 -1.596 19.361 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -25.223 -1.858 21.515 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -25.415 -3.296 20.484 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -24.272 -3.325 21.847 1.00 20.00 H new ATOM 992 N LYS A 55 -21.604 -1.941 21.491 1.00 20.00 N ATOM 993 CA LYS A 55 -20.559 -1.219 22.205 1.00 20.00 C ATOM 994 C LYS A 55 -19.507 -0.708 21.228 1.00 20.00 C ATOM 995 O LYS A 55 -18.767 0.232 21.527 1.00 20.00 O ATOM 996 CB LYS A 55 -19.905 -2.115 23.258 1.00 20.00 C ATOM 997 CG LYS A 55 -20.865 -2.605 24.334 1.00 20.00 C ATOM 998 CD LYS A 55 -21.462 -1.454 25.127 1.00 20.00 C ATOM 999 CE LYS A 55 -22.281 -1.960 26.304 1.00 20.00 C ATOM 1000 NZ LYS A 55 -22.881 -0.849 27.085 1.00 20.00 N ATOM 0 H LYS A 55 -21.478 -2.953 21.474 1.00 20.00 H new ATOM 0 HA LYS A 55 -21.016 -0.368 22.710 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -19.460 -2.978 22.761 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -19.092 -1.566 23.733 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -21.666 -3.181 23.871 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -20.339 -3.278 25.011 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -20.664 -0.806 25.489 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -22.093 -0.849 24.475 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -23.072 -2.615 25.940 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -21.646 -2.559 26.956 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -23.430 -1.239 27.877 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -22.126 -0.237 27.455 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -23.508 -0.291 26.470 1.00 20.00 H new ATOM 1014 N MET A 56 -19.436 -1.345 20.067 1.00 20.00 N ATOM 1015 CA MET A 56 -18.564 -0.896 18.991 1.00 20.00 C ATOM 1016 C MET A 56 -19.029 0.463 18.493 1.00 20.00 C ATOM 1017 O MET A 56 -18.229 1.382 18.344 1.00 20.00 O ATOM 1018 CB MET A 56 -18.543 -1.930 17.851 1.00 20.00 C ATOM 1019 CG MET A 56 -17.766 -1.504 16.607 1.00 20.00 C ATOM 1020 SD MET A 56 -18.721 -0.445 15.498 1.00 20.00 S ATOM 1021 CE MET A 56 -17.547 -0.196 14.169 1.00 20.00 C ATOM 0 H MET A 56 -19.977 -2.181 19.846 1.00 20.00 H new ATOM 0 HA MET A 56 -17.546 -0.797 19.367 1.00 20.00 H new ATOM 0 HB2 MET A 56 -18.113 -2.857 18.230 1.00 20.00 H new ATOM 0 HB3 MET A 56 -19.571 -2.150 17.561 1.00 20.00 H new ATOM 0 HG2 MET A 56 -16.863 -0.977 16.914 1.00 20.00 H new ATOM 0 HG3 MET A 56 -17.447 -2.393 16.064 1.00 20.00 H new ATOM 0 HE1 MET A 56 -17.993 0.440 13.404 1.00 20.00 H new ATOM 0 HE2 MET A 56 -16.649 0.282 14.561 1.00 20.00 H new ATOM 0 HE3 MET A 56 -17.283 -1.159 13.731 1.00 20.00 H new ATOM 1031 N ARG A 57 -20.334 0.586 18.266 1.00 20.00 N ATOM 1032 CA ARG A 57 -20.924 1.852 17.853 1.00 20.00 C ATOM 1033 C ARG A 57 -20.766 2.878 18.973 1.00 20.00 C ATOM 1034 O ARG A 57 -20.424 4.030 18.714 1.00 20.00 O ATOM 1035 CB ARG A 57 -22.401 1.655 17.492 1.00 20.00 C ATOM 1036 CG ARG A 57 -23.086 2.908 16.963 1.00 20.00 C ATOM 1037 CD ARG A 57 -22.360 3.488 15.753 1.00 20.00 C ATOM 1038 NE ARG A 57 -22.261 2.534 14.647 1.00 20.00 N ATOM 1039 CZ ARG A 57 -21.261 2.519 13.767 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -20.271 3.403 13.861 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -21.254 1.624 12.787 1.00 20.00 N ATOM 0 H ARG A 57 -21.003 -0.178 18.362 1.00 20.00 H new ATOM 0 HA ARG A 57 -20.408 2.222 16.967 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -22.478 0.868 16.742 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -22.936 1.307 18.376 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -24.114 2.671 16.690 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -23.131 3.658 17.753 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -22.885 4.381 15.412 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -21.359 3.800 16.050 1.00 20.00 H new ATOM 0 HE ARG A 57 -23.001 1.840 14.544 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -20.276 4.096 14.609 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -19.508 3.387 13.185 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -22.014 0.948 12.708 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -20.489 1.612 12.113 1.00 20.00 H new