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= -0.22 X(o=-0.22,f=-0.63) USER MOD Single : A 19 ASN : amide:sc= -0.485 X(o=-0.49,f=-0.2) USER MOD Single : A 20 SER OG : rot 62:sc= 1.21 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.032) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc=-0.000197 (180deg=-0.0777) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 49 MET CE :methyl 162:sc= -0.0984 (180deg=-0.487) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= -0.0199 (180deg=-0.173) USER MOD Single : A 56 MET CE :methyl 136:sc= -0.355 (180deg=-0.934) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -27.777 0.330 -0.628 1.00 20.00 N ATOM 365 CA GLU A 16 -28.148 -1.062 -0.863 1.00 20.00 C ATOM 366 C GLU A 16 -27.303 -2.024 -0.026 1.00 20.00 C ATOM 367 O GLU A 16 -27.816 -3.013 0.491 1.00 20.00 O ATOM 368 CB GLU A 16 -28.055 -1.424 -2.358 1.00 20.00 C ATOM 369 CG GLU A 16 -26.642 -1.610 -2.898 1.00 20.00 C ATOM 370 CD GLU A 16 -25.830 -0.337 -2.902 1.00 20.00 C ATOM 371 OE1 GLU A 16 -25.899 0.410 -3.903 1.00 20.00 O ATOM 372 OE2 GLU A 16 -25.122 -0.079 -1.908 1.00 20.00 O ATOM 0 HA GLU A 16 -29.186 -1.170 -0.549 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -28.615 -2.344 -2.527 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -28.546 -0.641 -2.935 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -26.127 -2.359 -2.297 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -26.698 -2.000 -3.914 1.00 20.00 H new ATOM 379 N GLN A 17 -26.022 -1.717 0.135 1.00 20.00 N ATOM 380 CA GLN A 17 -25.103 -2.608 0.838 1.00 20.00 C ATOM 381 C GLN A 17 -25.433 -2.715 2.322 1.00 20.00 C ATOM 382 O GLN A 17 -24.961 -3.628 2.999 1.00 20.00 O ATOM 383 CB GLN A 17 -23.657 -2.156 0.654 1.00 20.00 C ATOM 384 CG GLN A 17 -23.134 -2.379 -0.754 1.00 20.00 C ATOM 385 CD GLN A 17 -23.067 -3.850 -1.115 1.00 20.00 C ATOM 386 OE1 GLN A 17 -24.022 -4.421 -1.642 1.00 20.00 O ATOM 387 NE2 GLN A 17 -21.940 -4.479 -0.828 1.00 20.00 N ATOM 0 H GLN A 17 -25.594 -0.858 -0.211 1.00 20.00 H new ATOM 0 HA GLN A 17 -25.223 -3.598 0.398 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -23.580 -1.097 0.899 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -23.023 -2.693 1.359 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -23.778 -1.861 -1.465 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -22.141 -1.939 -0.845 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -21.170 -3.972 -0.391 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -21.840 -5.471 -1.043 1.00 20.00 H new ATOM 396 N GLU A 18 -26.244 -1.797 2.825 1.00 20.00 N ATOM 397 CA GLU A 18 -26.663 -1.845 4.218 1.00 20.00 C ATOM 398 C GLU A 18 -27.564 -3.058 4.445 1.00 20.00 C ATOM 399 O GLU A 18 -27.355 -3.839 5.374 1.00 20.00 O ATOM 400 CB GLU A 18 -27.387 -0.550 4.609 1.00 20.00 C ATOM 401 CG GLU A 18 -27.871 -0.525 6.050 1.00 20.00 C ATOM 402 CD GLU A 18 -28.557 0.775 6.409 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.862 1.721 6.834 1.00 20.00 O ATOM 404 OE2 GLU A 18 -29.795 0.862 6.264 1.00 20.00 O ATOM 0 H GLU A 18 -26.624 -1.014 2.293 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.780 -1.940 4.850 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.715 0.293 4.447 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.241 -0.409 3.947 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.561 -1.353 6.212 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.023 -0.681 6.717 1.00 20.00 H new ATOM 411 N ASN A 19 -28.538 -3.232 3.562 1.00 20.00 N ATOM 412 CA ASN A 19 -29.456 -4.361 3.654 1.00 20.00 C ATOM 413 C ASN A 19 -28.884 -5.585 2.950 1.00 20.00 C ATOM 414 O ASN A 19 -29.164 -6.719 3.335 1.00 20.00 O ATOM 415 CB ASN A 19 -30.831 -4.006 3.071 1.00 20.00 C ATOM 416 CG ASN A 19 -30.752 -3.404 1.680 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.720 -4.120 0.678 1.00 20.00 O ATOM 418 ND2 ASN A 19 -30.733 -2.080 1.608 1.00 20.00 N ATOM 0 H ASN A 19 -28.713 -2.607 2.775 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.584 -4.597 4.710 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.447 -4.904 3.037 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.330 -3.302 3.737 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -30.691 -1.619 0.699 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.761 -1.522 2.462 1.00 20.00 H new ATOM 425 N SER A 20 -28.065 -5.358 1.928 1.00 20.00 N ATOM 426 CA SER A 20 -27.456 -6.459 1.190 1.00 20.00 C ATOM 427 C SER A 20 -26.399 -7.164 2.034 1.00 20.00 C ATOM 428 O SER A 20 -26.002 -8.286 1.728 1.00 20.00 O ATOM 429 CB SER A 20 -26.844 -5.966 -0.123 1.00 20.00 C ATOM 430 OG SER A 20 -27.798 -5.248 -0.885 1.00 20.00 O ATOM 0 H SER A 20 -27.809 -4.429 1.594 1.00 20.00 H new ATOM 0 HA SER A 20 -28.243 -7.176 0.955 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.986 -5.328 0.088 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.476 -6.815 -0.699 1.00 20.00 H new ATOM 0 HG SER A 20 -28.083 -4.454 -0.387 1.00 20.00 H new ATOM 436 N TYR A 21 -25.946 -6.508 3.099 1.00 20.00 N ATOM 437 CA TYR A 21 -25.023 -7.135 4.034 1.00 20.00 C ATOM 438 C TYR A 21 -25.724 -8.282 4.750 1.00 20.00 C ATOM 439 O TYR A 21 -25.129 -9.327 5.000 1.00 20.00 O ATOM 440 CB TYR A 21 -24.490 -6.117 5.051 1.00 20.00 C ATOM 441 CG TYR A 21 -23.480 -6.702 6.018 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.189 -7.004 5.603 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.818 -6.959 7.344 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.264 -7.544 6.477 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.897 -7.497 8.225 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.622 -7.787 7.786 1.00 20.00 C ATOM 447 OH TYR A 21 -20.704 -8.325 8.660 1.00 20.00 O ATOM 0 H TYR A 21 -26.202 -5.549 3.333 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.172 -7.524 3.475 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.030 -5.287 4.515 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.327 -5.707 5.616 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.903 -6.813 4.579 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.816 -6.735 7.691 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.266 -7.774 6.136 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -23.175 -7.689 9.251 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.116 -8.432 9.543 1.00 20.00 H new ATOM 457 N ASN A 22 -27.000 -8.079 5.054 1.00 20.00 N ATOM 458 CA ASN A 22 -27.826 -9.120 5.659 1.00 20.00 C ATOM 459 C ASN A 22 -27.913 -10.316 4.717 1.00 20.00 C ATOM 460 O ASN A 22 -27.766 -11.464 5.136 1.00 20.00 O ATOM 461 CB ASN A 22 -29.227 -8.567 5.966 1.00 20.00 C ATOM 462 CG ASN A 22 -30.205 -9.613 6.481 1.00 20.00 C ATOM 463 OD1 ASN A 22 -31.405 -9.529 6.217 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.718 -10.589 7.235 1.00 20.00 N ATOM 0 H ASN A 22 -27.489 -7.199 4.891 1.00 20.00 H new ATOM 0 HA ASN A 22 -27.373 -9.445 6.596 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.138 -7.771 6.706 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.635 -8.117 5.061 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.343 -11.300 7.616 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.718 -10.629 7.434 1.00 20.00 H new ATOM 471 N GLU A 23 -28.117 -10.030 3.438 1.00 20.00 N ATOM 472 CA GLU A 23 -28.168 -11.069 2.418 1.00 20.00 C ATOM 473 C GLU A 23 -26.820 -11.773 2.293 1.00 20.00 C ATOM 474 O GLU A 23 -26.739 -12.994 2.413 1.00 20.00 O ATOM 475 CB GLU A 23 -28.568 -10.470 1.065 1.00 20.00 C ATOM 476 CG GLU A 23 -30.019 -10.029 0.990 1.00 20.00 C ATOM 477 CD GLU A 23 -30.981 -11.194 1.090 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.048 -11.997 0.137 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.666 -11.320 2.120 1.00 20.00 O ATOM 0 H GLU A 23 -28.250 -9.084 3.081 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.917 -11.801 2.719 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -27.927 -9.614 0.855 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.382 -11.207 0.284 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.223 -9.322 1.794 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.188 -9.501 0.051 1.00 20.00 H new ATOM 486 N TRP A 24 -25.768 -10.990 2.082 1.00 20.00 N ATOM 487 CA TRP A 24 -24.431 -11.528 1.852 1.00 20.00 C ATOM 488 C TRP A 24 -23.933 -12.331 3.052 1.00 20.00 C ATOM 489 O TRP A 24 -23.294 -13.368 2.885 1.00 20.00 O ATOM 490 CB TRP A 24 -23.450 -10.394 1.531 1.00 20.00 C ATOM 491 CG TRP A 24 -22.070 -10.873 1.190 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.680 -11.492 0.040 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.896 -10.765 2.004 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.338 -11.778 0.086 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.835 -11.344 1.282 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.637 -10.237 3.274 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.538 -11.409 1.787 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.351 -10.303 3.772 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.316 -10.884 3.029 1.00 20.00 C ATOM 0 H TRP A 24 -25.816 -9.971 2.065 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.489 -12.205 0.999 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.840 -9.812 0.696 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.391 -9.722 2.387 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -22.333 -11.724 -0.788 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.804 -12.239 -0.651 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.429 -9.786 3.854 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.737 -11.858 1.218 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.140 -9.900 4.751 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.321 -10.918 3.447 1.00 20.00 H new ATOM 510 N LEU A 25 -24.244 -11.862 4.254 1.00 20.00 N ATOM 511 CA LEU A 25 -23.772 -12.506 5.474 1.00 20.00 C ATOM 512 C LEU A 25 -24.285 -13.940 5.569 1.00 20.00 C ATOM 513 O LEU A 25 -23.529 -14.859 5.882 1.00 20.00 O ATOM 514 CB LEU A 25 -24.203 -11.702 6.705 1.00 20.00 C ATOM 515 CG LEU A 25 -23.651 -12.196 8.047 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.130 -12.181 8.043 1.00 20.00 C ATOM 517 CD2 LEU A 25 -24.185 -11.341 9.188 1.00 20.00 C ATOM 0 H LEU A 25 -24.822 -11.036 4.411 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.683 -12.537 5.440 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.895 -10.666 6.566 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.292 -11.707 6.757 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.983 -13.223 8.195 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.760 -12.535 9.005 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.762 -12.832 7.250 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.777 -11.164 7.871 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.784 -11.705 10.134 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.881 -10.305 9.039 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -25.273 -11.400 9.209 1.00 20.00 H new ATOM 529 N ARG A 26 -25.562 -14.138 5.273 1.00 20.00 N ATOM 530 CA ARG A 26 -26.142 -15.473 5.321 1.00 20.00 C ATOM 531 C ARG A 26 -25.923 -16.214 4.004 1.00 20.00 C ATOM 532 O ARG A 26 -26.163 -17.418 3.906 1.00 20.00 O ATOM 533 CB ARG A 26 -27.630 -15.416 5.683 1.00 20.00 C ATOM 534 CG ARG A 26 -28.465 -14.498 4.805 1.00 20.00 C ATOM 535 CD ARG A 26 -29.902 -14.442 5.301 1.00 20.00 C ATOM 536 NE ARG A 26 -30.698 -13.419 4.625 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.711 -12.772 5.206 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.027 -13.029 6.469 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.399 -11.864 4.530 1.00 20.00 N ATOM 0 H ARG A 26 -26.211 -13.400 5.000 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.631 -16.031 6.106 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.042 -16.423 5.626 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.725 -15.090 6.719 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.035 -13.496 4.805 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.444 -14.853 3.775 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.370 -15.415 5.154 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.904 -14.247 6.373 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.467 -13.187 3.659 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.496 -13.721 6.997 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.801 -12.534 6.912 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.156 -11.657 3.561 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.172 -11.372 4.978 1.00 20.00 H new ATOM 553 N ALA A 27 -25.450 -15.491 2.998 1.00 20.00 N ATOM 554 CA ALA A 27 -25.119 -16.089 1.711 1.00 20.00 C ATOM 555 C ALA A 27 -23.684 -16.596 1.703 1.00 20.00 C ATOM 556 O ALA A 27 -23.249 -17.244 0.753 1.00 20.00 O ATOM 557 CB ALA A 27 -25.321 -15.090 0.587 1.00 20.00 C ATOM 0 H ALA A 27 -25.286 -14.486 3.049 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.789 -16.935 1.553 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.068 -15.557 -0.365 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.362 -14.769 0.568 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.678 -14.225 0.749 1.00 20.00 H new ATOM 563 N LYS A 28 -22.953 -16.305 2.774 1.00 20.00 N ATOM 564 CA LYS A 28 -21.567 -16.752 2.905 1.00 20.00 C ATOM 565 C LYS A 28 -21.487 -18.273 2.998 1.00 20.00 C ATOM 566 O LYS A 28 -20.427 -18.861 2.789 1.00 20.00 O ATOM 567 CB LYS A 28 -20.903 -16.121 4.132 1.00 20.00 C ATOM 568 CG LYS A 28 -20.593 -14.636 3.981 1.00 20.00 C ATOM 569 CD LYS A 28 -20.025 -14.048 5.265 1.00 20.00 C ATOM 570 CE LYS A 28 -18.708 -14.704 5.664 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.638 -14.466 4.661 1.00 20.00 N ATOM 0 H LYS A 28 -23.296 -15.761 3.566 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.033 -16.429 2.011 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.555 -16.259 4.995 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.976 -16.654 4.344 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.880 -14.493 3.169 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.502 -14.100 3.706 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.871 -12.977 5.135 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.749 -14.171 6.070 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.389 -14.317 6.632 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.860 -15.777 5.784 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.727 -14.795 5.040 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.858 -14.987 3.788 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.578 -13.449 4.452 1.00 20.00 H new ATOM 585 N VAL A 29 -22.612 -18.903 3.315 1.00 20.00 N ATOM 586 CA VAL A 29 -22.680 -20.356 3.392 1.00 20.00 C ATOM 587 C VAL A 29 -22.839 -20.956 1.994 1.00 20.00 C ATOM 588 O VAL A 29 -22.570 -22.137 1.770 1.00 20.00 O ATOM 589 CB VAL A 29 -23.847 -20.817 4.300 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.196 -20.539 3.653 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.710 -22.289 4.656 1.00 20.00 C ATOM 0 H VAL A 29 -23.491 -18.429 3.523 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.747 -20.710 3.830 1.00 20.00 H new ATOM 0 HB VAL A 29 -23.796 -20.238 5.222 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.994 -20.874 4.316 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.300 -19.469 3.473 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.262 -21.074 2.706 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.542 -22.588 5.294 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.719 -22.886 3.744 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.771 -22.449 5.185 1.00 20.00 H new ATOM 772 N HIS A 42 0.799 -26.847 -0.424 1.00 20.00 N ATOM 773 CA HIS A 42 1.254 -26.214 0.810 1.00 20.00 C ATOM 774 C HIS A 42 1.868 -24.858 0.506 1.00 20.00 C ATOM 775 O HIS A 42 2.183 -24.083 1.410 1.00 20.00 O ATOM 776 CB HIS A 42 2.260 -27.104 1.548 1.00 20.00 C ATOM 777 CG HIS A 42 1.640 -28.309 2.184 1.00 20.00 C ATOM 778 ND1 HIS A 42 1.426 -28.415 3.540 1.00 20.00 N ATOM 779 CD2 HIS A 42 1.175 -29.460 1.642 1.00 20.00 C ATOM 780 CE1 HIS A 42 0.856 -29.575 3.803 1.00 20.00 C ATOM 781 NE2 HIS A 42 0.693 -30.231 2.670 1.00 20.00 N ATOM 0 HA HIS A 42 0.391 -26.073 1.460 1.00 20.00 H new ATOM 0 HB2 HIS A 42 3.028 -27.429 0.846 1.00 20.00 H new ATOM 0 HB3 HIS A 42 2.759 -26.514 2.317 1.00 20.00 H new ATOM 0 HD2 HIS A 42 1.182 -29.722 0.594 1.00 20.00 H new ATOM 0 HE1 HIS A 42 0.570 -29.929 4.783 1.00 20.00 H new ATOM 0 HE2 HIS A 42 0.278 -31.158 2.574 1.00 20.00 H new ATOM 790 N ASP A 43 2.022 -24.578 -0.783 1.00 20.00 N ATOM 791 CA ASP A 43 2.498 -23.282 -1.241 1.00 20.00 C ATOM 792 C ASP A 43 1.468 -22.207 -0.934 1.00 20.00 C ATOM 793 O ASP A 43 1.798 -21.029 -0.823 1.00 20.00 O ATOM 794 CB ASP A 43 2.776 -23.306 -2.744 1.00 20.00 C ATOM 795 CG ASP A 43 3.831 -24.319 -3.128 1.00 20.00 C ATOM 796 OD1 ASP A 43 5.033 -23.992 -3.037 1.00 20.00 O ATOM 797 OD2 ASP A 43 3.463 -25.446 -3.529 1.00 20.00 O ATOM 0 H ASP A 43 1.822 -25.239 -1.534 1.00 20.00 H new ATOM 0 HA ASP A 43 3.426 -23.057 -0.715 1.00 20.00 H new ATOM 0 HB2 ASP A 43 1.852 -23.531 -3.276 1.00 20.00 H new ATOM 0 HB3 ASP A 43 3.096 -22.315 -3.066 1.00 20.00 H new ATOM 802 N GLU A 44 0.218 -22.633 -0.784 1.00 20.00 N ATOM 803 CA GLU A 44 -0.881 -21.725 -0.495 1.00 20.00 C ATOM 804 C GLU A 44 -0.649 -21.016 0.835 1.00 20.00 C ATOM 805 O GLU A 44 -0.945 -19.829 0.985 1.00 20.00 O ATOM 806 CB GLU A 44 -2.200 -22.497 -0.458 1.00 20.00 C ATOM 807 CG GLU A 44 -3.420 -21.609 -0.330 1.00 20.00 C ATOM 808 CD GLU A 44 -3.614 -20.719 -1.538 1.00 20.00 C ATOM 809 OE1 GLU A 44 -3.002 -19.635 -1.589 1.00 20.00 O ATOM 810 OE2 GLU A 44 -4.387 -21.098 -2.443 1.00 20.00 O ATOM 0 H GLU A 44 -0.058 -23.612 -0.859 1.00 20.00 H new ATOM 0 HA GLU A 44 -0.932 -20.974 -1.284 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -2.288 -23.092 -1.367 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -2.179 -23.195 0.379 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -4.305 -22.230 -0.193 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -3.324 -20.990 0.562 1.00 20.00 H new ATOM 817 N VAL A 45 -0.098 -21.753 1.792 1.00 20.00 N ATOM 818 CA VAL A 45 0.224 -21.195 3.094 1.00 20.00 C ATOM 819 C VAL A 45 1.265 -20.095 2.951 1.00 20.00 C ATOM 820 O VAL A 45 1.145 -19.034 3.558 1.00 20.00 O ATOM 821 CB VAL A 45 0.742 -22.279 4.059 1.00 20.00 C ATOM 822 CG1 VAL A 45 1.142 -21.675 5.399 1.00 20.00 C ATOM 823 CG2 VAL A 45 -0.312 -23.354 4.250 1.00 20.00 C ATOM 0 H VAL A 45 0.135 -22.741 1.688 1.00 20.00 H new ATOM 0 HA VAL A 45 -0.692 -20.777 3.511 1.00 20.00 H new ATOM 0 HB VAL A 45 1.631 -22.732 3.620 1.00 20.00 H new ATOM 0 HG11 VAL A 45 1.504 -22.463 6.060 1.00 20.00 H new ATOM 0 HG12 VAL A 45 1.932 -20.939 5.245 1.00 20.00 H new ATOM 0 HG13 VAL A 45 0.277 -21.190 5.852 1.00 20.00 H new ATOM 0 HG21 VAL A 45 0.064 -24.115 4.934 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -1.216 -22.908 4.665 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -0.543 -23.812 3.288 1.00 20.00 H new ATOM 833 N GLU A 46 2.266 -20.348 2.119 1.00 20.00 N ATOM 834 CA GLU A 46 3.324 -19.375 1.872 1.00 20.00 C ATOM 835 C GLU A 46 2.756 -18.117 1.220 1.00 20.00 C ATOM 836 O GLU A 46 3.177 -17.006 1.532 1.00 20.00 O ATOM 837 CB GLU A 46 4.420 -19.983 0.992 1.00 20.00 C ATOM 838 CG GLU A 46 5.564 -19.029 0.692 1.00 20.00 C ATOM 839 CD GLU A 46 6.680 -19.689 -0.083 1.00 20.00 C ATOM 840 OE1 GLU A 46 6.482 -19.998 -1.276 1.00 20.00 O ATOM 841 OE2 GLU A 46 7.765 -19.897 0.495 1.00 20.00 O ATOM 0 H GLU A 46 2.369 -21.221 1.602 1.00 20.00 H new ATOM 0 HA GLU A 46 3.764 -19.099 2.830 1.00 20.00 H new ATOM 0 HB2 GLU A 46 4.818 -20.870 1.485 1.00 20.00 H new ATOM 0 HB3 GLU A 46 3.977 -20.312 0.052 1.00 20.00 H new ATOM 0 HG2 GLU A 46 5.185 -18.179 0.124 1.00 20.00 H new ATOM 0 HG3 GLU A 46 5.960 -18.636 1.628 1.00 20.00 H new ATOM 848 N ARG A 47 1.787 -18.301 0.331 1.00 20.00 N ATOM 849 CA ARG A 47 1.141 -17.179 -0.340 1.00 20.00 C ATOM 850 C ARG A 47 0.435 -16.287 0.676 1.00 20.00 C ATOM 851 O ARG A 47 0.591 -15.067 0.663 1.00 20.00 O ATOM 852 CB ARG A 47 0.126 -17.675 -1.372 1.00 20.00 C ATOM 853 CG ARG A 47 0.700 -18.624 -2.414 1.00 20.00 C ATOM 854 CD ARG A 47 -0.346 -19.011 -3.447 1.00 20.00 C ATOM 855 NE ARG A 47 -0.745 -17.869 -4.268 1.00 20.00 N ATOM 856 CZ ARG A 47 -1.985 -17.379 -4.331 1.00 20.00 C ATOM 857 NH1 ARG A 47 -2.961 -17.909 -3.604 1.00 20.00 N ATOM 858 NH2 ARG A 47 -2.246 -16.351 -5.128 1.00 20.00 N ATOM 0 H ARG A 47 1.431 -19.217 0.058 1.00 20.00 H new ATOM 0 HA ARG A 47 1.913 -16.604 -0.851 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -0.688 -18.178 -0.850 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -0.306 -16.814 -1.882 1.00 20.00 H new ATOM 0 HG2 ARG A 47 1.547 -18.152 -2.911 1.00 20.00 H new ATOM 0 HG3 ARG A 47 1.078 -19.521 -1.923 1.00 20.00 H new ATOM 0 HD2 ARG A 47 0.050 -19.799 -4.088 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -1.221 -19.420 -2.943 1.00 20.00 H new ATOM 0 HE ARG A 47 -0.026 -17.415 -4.832 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -2.767 -18.699 -2.989 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -3.905 -17.526 -3.660 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -1.501 -15.939 -5.689 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -3.192 -15.973 -5.180 1.00 20.00 H new ATOM 872 N ARG A 48 -0.332 -16.910 1.565 1.00 20.00 N ATOM 873 CA ARG A 48 -1.069 -16.175 2.587 1.00 20.00 C ATOM 874 C ARG A 48 -0.123 -15.617 3.645 1.00 20.00 C ATOM 875 O ARG A 48 -0.358 -14.544 4.203 1.00 20.00 O ATOM 876 CB ARG A 48 -2.118 -17.070 3.245 1.00 20.00 C ATOM 877 CG ARG A 48 -3.204 -17.545 2.295 1.00 20.00 C ATOM 878 CD ARG A 48 -4.327 -18.248 3.041 1.00 20.00 C ATOM 879 NE ARG A 48 -4.937 -17.381 4.051 1.00 20.00 N ATOM 880 CZ ARG A 48 -6.184 -17.523 4.502 1.00 20.00 C ATOM 881 NH1 ARG A 48 -6.967 -18.482 4.021 1.00 20.00 N ATOM 882 NH2 ARG A 48 -6.653 -16.701 5.435 1.00 20.00 N ATOM 0 H ARG A 48 -0.459 -17.921 1.598 1.00 20.00 H new ATOM 0 HA ARG A 48 -1.574 -15.342 2.099 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -1.621 -17.939 3.677 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -2.581 -16.526 4.068 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -3.607 -16.694 1.746 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -2.774 -18.224 1.559 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -5.089 -18.570 2.331 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -3.938 -19.146 3.520 1.00 20.00 H new ATOM 0 HE ARG A 48 -4.373 -16.622 4.433 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -6.615 -19.115 3.303 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -7.920 -18.585 4.370 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -6.059 -15.960 5.807 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -7.607 -16.811 5.779 1.00 20.00 H new ATOM 896 N MET A 49 0.947 -16.347 3.914 1.00 20.00 N ATOM 897 CA MET A 49 1.952 -15.906 4.867 1.00 20.00 C ATOM 898 C MET A 49 2.691 -14.696 4.311 1.00 20.00 C ATOM 899 O MET A 49 3.086 -13.795 5.051 1.00 20.00 O ATOM 900 CB MET A 49 2.931 -17.038 5.172 1.00 20.00 C ATOM 901 CG MET A 49 3.842 -16.757 6.353 1.00 20.00 C ATOM 902 SD MET A 49 2.930 -16.467 7.884 1.00 20.00 S ATOM 903 CE MET A 49 2.101 -18.042 8.092 1.00 20.00 C ATOM 0 H MET A 49 1.142 -17.251 3.484 1.00 20.00 H new ATOM 0 HA MET A 49 1.459 -15.623 5.797 1.00 20.00 H new ATOM 0 HB2 MET A 49 2.368 -17.950 5.368 1.00 20.00 H new ATOM 0 HB3 MET A 49 3.543 -17.225 4.289 1.00 20.00 H new ATOM 0 HG2 MET A 49 4.519 -17.600 6.493 1.00 20.00 H new ATOM 0 HG3 MET A 49 4.458 -15.886 6.132 1.00 20.00 H new ATOM 0 HE1 MET A 49 1.765 -18.143 9.124 1.00 20.00 H new ATOM 0 HE2 MET A 49 1.241 -18.092 7.424 1.00 20.00 H new ATOM 0 HE3 MET A 49 2.792 -18.851 7.855 1.00 20.00 H new ATOM 913 N ALA A 50 2.874 -14.684 2.996 1.00 20.00 N ATOM 914 CA ALA A 50 3.454 -13.542 2.313 1.00 20.00 C ATOM 915 C ALA A 50 2.544 -12.333 2.446 1.00 20.00 C ATOM 916 O ALA A 50 3.009 -11.212 2.653 1.00 20.00 O ATOM 917 CB ALA A 50 3.699 -13.863 0.851 1.00 20.00 C ATOM 0 H ALA A 50 2.626 -15.459 2.381 1.00 20.00 H new ATOM 0 HA ALA A 50 4.412 -13.310 2.778 1.00 20.00 H new ATOM 0 HB1 ALA A 50 4.134 -12.995 0.356 1.00 20.00 H new ATOM 0 HB2 ALA A 50 4.385 -14.706 0.774 1.00 20.00 H new ATOM 0 HB3 ALA A 50 2.754 -14.119 0.371 1.00 20.00 H new ATOM 923 N GLU A 51 1.242 -12.573 2.328 1.00 20.00 N ATOM 924 CA GLU A 51 0.248 -11.525 2.520 1.00 20.00 C ATOM 925 C GLU A 51 0.335 -10.976 3.936 1.00 20.00 C ATOM 926 O GLU A 51 0.354 -9.763 4.146 1.00 20.00 O ATOM 927 CB GLU A 51 -1.167 -12.055 2.282 1.00 20.00 C ATOM 928 CG GLU A 51 -1.437 -12.531 0.867 1.00 20.00 C ATOM 929 CD GLU A 51 -2.898 -12.870 0.648 1.00 20.00 C ATOM 930 OE1 GLU A 51 -3.294 -14.027 0.905 1.00 20.00 O ATOM 931 OE2 GLU A 51 -3.660 -11.974 0.223 1.00 20.00 O ATOM 0 H GLU A 51 0.851 -13.487 2.100 1.00 20.00 H new ATOM 0 HA GLU A 51 0.456 -10.735 1.799 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -1.351 -12.880 2.970 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -1.881 -11.269 2.529 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -1.135 -11.757 0.161 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -0.826 -13.409 0.658 1.00 20.00 H new ATOM 938 N ARG A 52 0.402 -11.891 4.897 1.00 20.00 N ATOM 939 CA ARG A 52 0.444 -11.535 6.305 1.00 20.00 C ATOM 940 C ARG A 52 1.672 -10.684 6.603 1.00 20.00 C ATOM 941 O ARG A 52 1.562 -9.619 7.201 1.00 20.00 O ATOM 942 CB ARG A 52 0.461 -12.797 7.173 1.00 20.00 C ATOM 943 CG ARG A 52 0.168 -12.529 8.639 1.00 20.00 C ATOM 944 CD ARG A 52 -1.270 -12.079 8.841 1.00 20.00 C ATOM 945 NE ARG A 52 -1.544 -11.702 10.225 1.00 20.00 N ATOM 946 CZ ARG A 52 -2.680 -11.977 10.861 1.00 20.00 C ATOM 947 NH1 ARG A 52 -3.613 -12.715 10.273 1.00 20.00 N ATOM 948 NH2 ARG A 52 -2.874 -11.529 12.094 1.00 20.00 N ATOM 0 H ARG A 52 0.428 -12.895 4.720 1.00 20.00 H new ATOM 0 HA ARG A 52 -0.450 -10.956 6.539 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -0.274 -13.503 6.787 1.00 20.00 H new ATOM 0 HB3 ARG A 52 1.437 -13.274 7.087 1.00 20.00 H new ATOM 0 HG2 ARG A 52 0.354 -13.432 9.220 1.00 20.00 H new ATOM 0 HG3 ARG A 52 0.847 -11.763 9.014 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -1.478 -11.231 8.188 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -1.945 -12.882 8.545 1.00 20.00 H new ATOM 0 HE ARG A 52 -0.820 -11.197 10.736 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -3.461 -13.074 9.330 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -4.483 -12.924 10.764 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -2.153 -10.974 12.554 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -3.745 -11.739 12.582 1.00 20.00 H new ATOM 962 N PHE A 53 2.829 -11.156 6.152 1.00 20.00 N ATOM 963 CA PHE A 53 4.099 -10.472 6.381 1.00 20.00 C ATOM 964 C PHE A 53 4.089 -9.071 5.769 1.00 20.00 C ATOM 965 O PHE A 53 4.581 -8.114 6.369 1.00 20.00 O ATOM 966 CB PHE A 53 5.245 -11.298 5.785 1.00 20.00 C ATOM 967 CG PHE A 53 6.614 -10.711 5.998 1.00 20.00 C ATOM 968 CD1 PHE A 53 7.328 -10.993 7.149 1.00 20.00 C ATOM 969 CD2 PHE A 53 7.188 -9.887 5.042 1.00 20.00 C ATOM 970 CE1 PHE A 53 8.589 -10.465 7.346 1.00 20.00 C ATOM 971 CE2 PHE A 53 8.449 -9.355 5.233 1.00 20.00 C ATOM 972 CZ PHE A 53 9.150 -9.645 6.387 1.00 20.00 C ATOM 0 H PHE A 53 2.914 -12.021 5.619 1.00 20.00 H new ATOM 0 HA PHE A 53 4.245 -10.369 7.456 1.00 20.00 H new ATOM 0 HB2 PHE A 53 5.220 -12.297 6.220 1.00 20.00 H new ATOM 0 HB3 PHE A 53 5.075 -11.412 4.714 1.00 20.00 H new ATOM 0 HD1 PHE A 53 6.894 -11.634 7.902 1.00 20.00 H new ATOM 0 HD2 PHE A 53 6.643 -9.658 4.138 1.00 20.00 H new ATOM 0 HE1 PHE A 53 9.136 -10.693 8.249 1.00 20.00 H new ATOM 0 HE2 PHE A 53 8.885 -8.714 4.481 1.00 20.00 H new ATOM 0 HZ PHE A 53 10.136 -9.231 6.539 1.00 20.00 H new ATOM 982 N ALA A 54 3.515 -8.961 4.580 1.00 20.00 N ATOM 983 CA ALA A 54 3.499 -7.702 3.852 1.00 20.00 C ATOM 984 C ALA A 54 2.648 -6.651 4.559 1.00 20.00 C ATOM 985 O ALA A 54 3.121 -5.551 4.846 1.00 20.00 O ATOM 986 CB ALA A 54 3.000 -7.924 2.435 1.00 20.00 C ATOM 0 H ALA A 54 3.053 -9.732 4.098 1.00 20.00 H new ATOM 0 HA ALA A 54 4.521 -7.325 3.816 1.00 20.00 H new ATOM 0 HB1 ALA A 54 2.992 -6.975 1.899 1.00 20.00 H new ATOM 0 HB2 ALA A 54 3.659 -8.625 1.923 1.00 20.00 H new ATOM 0 HB3 ALA A 54 1.990 -8.332 2.465 1.00 20.00 H new ATOM 992 N LYS A 55 1.404 -7.002 4.863 1.00 20.00 N ATOM 993 CA LYS A 55 0.465 -6.042 5.433 1.00 20.00 C ATOM 994 C LYS A 55 0.679 -5.866 6.933 1.00 20.00 C ATOM 995 O LYS A 55 0.132 -4.946 7.539 1.00 20.00 O ATOM 996 CB LYS A 55 -0.976 -6.469 5.150 1.00 20.00 C ATOM 997 CG LYS A 55 -1.396 -7.737 5.872 1.00 20.00 C ATOM 998 CD LYS A 55 -2.806 -8.143 5.491 1.00 20.00 C ATOM 999 CE LYS A 55 -3.267 -9.367 6.264 1.00 20.00 C ATOM 1000 NZ LYS A 55 -3.398 -9.088 7.720 1.00 20.00 N ATOM 0 H LYS A 55 1.023 -7.938 4.726 1.00 20.00 H new ATOM 0 HA LYS A 55 0.650 -5.080 4.956 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -1.647 -5.660 5.438 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -1.096 -6.617 4.077 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -0.704 -8.543 5.629 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -1.338 -7.581 6.949 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -3.487 -7.314 5.682 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -2.848 -8.351 4.422 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -4.226 -9.704 5.871 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -2.557 -10.180 6.113 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -3.917 -9.865 8.177 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -2.452 -9.007 8.144 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -3.916 -8.197 7.857 1.00 20.00 H new ATOM 1014 N MET A 56 1.470 -6.752 7.526 1.00 20.00 N ATOM 1015 CA MET A 56 1.795 -6.664 8.947 1.00 20.00 C ATOM 1016 C MET A 56 2.554 -5.376 9.239 1.00 20.00 C ATOM 1017 O MET A 56 2.273 -4.681 10.218 1.00 20.00 O ATOM 1018 CB MET A 56 2.627 -7.877 9.377 1.00 20.00 C ATOM 1019 CG MET A 56 3.096 -7.830 10.822 1.00 20.00 C ATOM 1020 SD MET A 56 4.004 -9.311 11.298 1.00 20.00 S ATOM 1021 CE MET A 56 5.388 -9.253 10.161 1.00 20.00 C ATOM 0 H MET A 56 1.900 -7.542 7.045 1.00 20.00 H new ATOM 0 HA MET A 56 0.865 -6.657 9.516 1.00 20.00 H new ATOM 0 HB2 MET A 56 2.036 -8.780 9.228 1.00 20.00 H new ATOM 0 HB3 MET A 56 3.498 -7.955 8.726 1.00 20.00 H new ATOM 0 HG2 MET A 56 3.731 -6.956 10.967 1.00 20.00 H new ATOM 0 HG3 MET A 56 2.233 -7.710 11.477 1.00 20.00 H new ATOM 0 HE1 MET A 56 6.309 -9.484 10.697 1.00 20.00 H new ATOM 0 HE2 MET A 56 5.237 -9.984 9.366 1.00 20.00 H new ATOM 0 HE3 MET A 56 5.461 -8.256 9.728 1.00 20.00 H new ATOM 1031 N ARG A 57 3.510 -5.064 8.379 1.00 20.00 N ATOM 1032 CA ARG A 57 4.268 -3.830 8.492 1.00 20.00 C ATOM 1033 C ARG A 57 3.686 -2.776 7.560 1.00 20.00 C ATOM 1034 O ARG A 57 3.769 -1.577 7.836 1.00 20.00 O ATOM 1035 CB ARG A 57 5.746 -4.087 8.175 1.00 20.00 C ATOM 1036 CG ARG A 57 6.622 -2.845 8.244 1.00 20.00 C ATOM 1037 CD ARG A 57 8.102 -3.204 8.244 1.00 20.00 C ATOM 1038 NE ARG A 57 8.461 -4.091 7.136 1.00 20.00 N ATOM 1039 CZ ARG A 57 9.714 -4.428 6.826 1.00 20.00 C ATOM 1040 NH1 ARG A 57 10.732 -3.945 7.531 1.00 20.00 N ATOM 1041 NH2 ARG A 57 9.950 -5.251 5.811 1.00 20.00 N ATOM 0 H ARG A 57 3.780 -5.653 7.591 1.00 20.00 H new ATOM 0 HA ARG A 57 4.200 -3.459 9.515 1.00 20.00 H new ATOM 0 HB2 ARG A 57 6.132 -4.830 8.873 1.00 20.00 H new ATOM 0 HB3 ARG A 57 5.823 -4.517 7.177 1.00 20.00 H new ATOM 0 HG2 ARG A 57 6.404 -2.197 7.395 1.00 20.00 H new ATOM 0 HG3 ARG A 57 6.384 -2.280 9.145 1.00 20.00 H new ATOM 0 HD2 ARG A 57 8.694 -2.291 8.182 1.00 20.00 H new ATOM 0 HD3 ARG A 57 8.356 -3.685 9.188 1.00 20.00 H new ATOM 0 HE ARG A 57 7.707 -4.475 6.566 1.00 20.00 H new ATOM 0 HH11 ARG A 57 10.557 -3.314 8.313 1.00 20.00 H new ATOM 0 HH12 ARG A 57 11.688 -4.206 7.290 1.00 20.00 H new ATOM 0 HH21 ARG A 57 9.173 -5.626 5.267 1.00 20.00 H new ATOM 0 HH22 ARG A 57 10.908 -5.508 5.575 1.00 20.00 H new