USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 254 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.8!) USER MOD Single : A 20 SER OG : rot 148:sc= 0.239 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00212 X(o=-0.0021,f=-0.27) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0307 (180deg=-0.226) USER MOD Single : A 42 HIS : no HD1:sc= -0.0842 X(o=-0.084,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -168:sc= -0.02 (180deg=-0.287) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.921 -2.825 1.396 1.00 20.00 N ATOM 365 CA GLU A 16 -31.536 -1.552 0.806 1.00 20.00 C ATOM 366 C GLU A 16 -30.323 -0.917 1.490 1.00 20.00 C ATOM 367 O GLU A 16 -29.369 -0.534 0.817 1.00 20.00 O ATOM 368 CB GLU A 16 -32.724 -0.594 0.843 1.00 20.00 C ATOM 369 CG GLU A 16 -33.919 -1.083 0.040 1.00 20.00 C ATOM 370 CD GLU A 16 -35.164 -0.270 0.307 1.00 20.00 C ATOM 371 OE1 GLU A 16 -35.331 0.795 -0.321 1.00 20.00 O ATOM 372 OE2 GLU A 16 -35.978 -0.687 1.155 1.00 20.00 O ATOM 0 HA GLU A 16 -31.242 -1.749 -0.225 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -33.028 -0.444 1.879 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.410 0.377 0.459 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -33.681 -1.040 -1.023 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -34.112 -2.128 0.281 1.00 20.00 H new ATOM 379 N GLN A 17 -30.364 -0.760 2.808 1.00 20.00 N ATOM 380 CA GLN A 17 -29.282 -0.066 3.502 1.00 20.00 C ATOM 381 C GLN A 17 -28.192 -1.019 4.005 1.00 20.00 C ATOM 382 O GLN A 17 -27.100 -1.074 3.440 1.00 20.00 O ATOM 383 CB GLN A 17 -29.841 0.766 4.661 1.00 20.00 C ATOM 384 CG GLN A 17 -28.780 1.551 5.417 1.00 20.00 C ATOM 385 CD GLN A 17 -29.365 2.429 6.502 1.00 20.00 C ATOM 386 OE1 GLN A 17 -29.543 1.997 7.641 1.00 20.00 O ATOM 387 NE2 GLN A 17 -29.659 3.671 6.162 1.00 20.00 N ATOM 0 H GLN A 17 -31.117 -1.095 3.409 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.811 0.595 2.774 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -30.586 1.460 4.272 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -30.355 0.104 5.357 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.068 0.856 5.862 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -28.223 2.171 4.714 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -29.496 3.990 5.207 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -30.049 4.311 6.854 1.00 20.00 H new ATOM 396 N GLU A 18 -28.492 -1.773 5.055 1.00 20.00 N ATOM 397 CA GLU A 18 -27.489 -2.623 5.695 1.00 20.00 C ATOM 398 C GLU A 18 -27.496 -4.019 5.094 1.00 20.00 C ATOM 399 O GLU A 18 -26.448 -4.633 4.885 1.00 20.00 O ATOM 400 CB GLU A 18 -27.750 -2.706 7.203 1.00 20.00 C ATOM 401 CG GLU A 18 -26.669 -3.447 7.973 1.00 20.00 C ATOM 402 CD GLU A 18 -25.328 -2.750 7.902 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.118 -1.781 8.664 1.00 20.00 O ATOM 404 OE2 GLU A 18 -24.476 -3.165 7.091 1.00 20.00 O ATOM 0 H GLU A 18 -29.417 -1.815 5.482 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.509 -2.178 5.523 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.840 -1.696 7.603 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.706 -3.201 7.370 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.971 -3.543 9.016 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.572 -4.457 7.576 1.00 20.00 H new ATOM 411 N ASN A 19 -28.688 -4.498 4.796 1.00 20.00 N ATOM 412 CA ASN A 19 -28.880 -5.861 4.323 1.00 20.00 C ATOM 413 C ASN A 19 -28.225 -6.091 2.965 1.00 20.00 C ATOM 414 O ASN A 19 -28.047 -7.233 2.550 1.00 20.00 O ATOM 415 CB ASN A 19 -30.367 -6.194 4.257 1.00 20.00 C ATOM 416 CG ASN A 19 -30.901 -6.786 5.544 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.186 -7.473 6.273 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.165 -6.525 5.838 1.00 20.00 N ATOM 0 H ASN A 19 -29.550 -3.958 4.873 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.395 -6.527 5.037 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.926 -5.288 4.021 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.540 -6.896 3.442 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.577 -6.898 6.693 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.727 -5.951 5.209 1.00 20.00 H new ATOM 425 N SER A 20 -27.864 -5.009 2.281 1.00 20.00 N ATOM 426 CA SER A 20 -27.210 -5.109 0.982 1.00 20.00 C ATOM 427 C SER A 20 -25.916 -5.916 1.076 1.00 20.00 C ATOM 428 O SER A 20 -25.597 -6.700 0.183 1.00 20.00 O ATOM 429 CB SER A 20 -26.911 -3.715 0.438 1.00 20.00 C ATOM 430 OG SER A 20 -28.071 -2.909 0.466 1.00 20.00 O ATOM 0 H SER A 20 -28.014 -4.054 2.605 1.00 20.00 H new ATOM 0 HA SER A 20 -27.887 -5.626 0.303 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.124 -3.249 1.031 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.539 -3.790 -0.584 1.00 20.00 H new ATOM 0 HG SER A 20 -27.817 -1.975 0.620 1.00 20.00 H new ATOM 436 N TYR A 21 -25.176 -5.731 2.162 1.00 20.00 N ATOM 437 CA TYR A 21 -23.936 -6.465 2.352 1.00 20.00 C ATOM 438 C TYR A 21 -24.226 -7.782 3.058 1.00 20.00 C ATOM 439 O TYR A 21 -23.528 -8.780 2.858 1.00 20.00 O ATOM 440 CB TYR A 21 -22.931 -5.633 3.156 1.00 20.00 C ATOM 441 CG TYR A 21 -21.531 -6.209 3.151 1.00 20.00 C ATOM 442 CD1 TYR A 21 -20.643 -5.902 2.127 1.00 20.00 C ATOM 443 CD2 TYR A 21 -21.099 -7.065 4.159 1.00 20.00 C ATOM 444 CE1 TYR A 21 -19.368 -6.429 2.108 1.00 20.00 C ATOM 445 CE2 TYR A 21 -19.824 -7.596 4.145 1.00 20.00 C ATOM 446 CZ TYR A 21 -18.964 -7.275 3.117 1.00 20.00 C ATOM 447 OH TYR A 21 -17.694 -7.807 3.095 1.00 20.00 O ATOM 0 H TYR A 21 -25.411 -5.086 2.916 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.495 -6.673 1.377 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -22.901 -4.622 2.750 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.279 -5.553 4.186 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -20.956 -5.240 1.333 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -21.771 -7.318 4.965 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -18.690 -6.179 1.305 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -19.503 -8.259 4.935 1.00 20.00 H new ATOM 0 HH TYR A 21 -17.567 -8.382 3.878 1.00 20.00 H new ATOM 457 N ASN A 22 -25.279 -7.781 3.868 1.00 20.00 N ATOM 458 CA ASN A 22 -25.703 -8.980 4.580 1.00 20.00 C ATOM 459 C ASN A 22 -26.122 -10.066 3.596 1.00 20.00 C ATOM 460 O ASN A 22 -26.058 -11.247 3.914 1.00 20.00 O ATOM 461 CB ASN A 22 -26.860 -8.666 5.536 1.00 20.00 C ATOM 462 CG ASN A 22 -27.319 -9.884 6.321 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.223 -10.609 5.898 1.00 20.00 O ATOM 464 ND2 ASN A 22 -26.699 -10.124 7.468 1.00 20.00 N ATOM 0 H ASN A 22 -25.856 -6.960 4.048 1.00 20.00 H new ATOM 0 HA ASN A 22 -24.857 -9.341 5.165 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -26.550 -7.886 6.232 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -27.700 -8.269 4.966 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -26.965 -10.931 8.033 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -25.956 -9.502 7.786 1.00 20.00 H new ATOM 471 N GLU A 23 -26.534 -9.655 2.397 1.00 20.00 N ATOM 472 CA GLU A 23 -26.923 -10.595 1.345 1.00 20.00 C ATOM 473 C GLU A 23 -25.855 -11.666 1.127 1.00 20.00 C ATOM 474 O GLU A 23 -26.170 -12.853 1.006 1.00 20.00 O ATOM 475 CB GLU A 23 -27.178 -9.858 0.026 1.00 20.00 C ATOM 476 CG GLU A 23 -28.472 -9.058 -0.006 1.00 20.00 C ATOM 477 CD GLU A 23 -28.721 -8.425 -1.360 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.107 -9.154 -2.300 1.00 20.00 O ATOM 479 OE2 GLU A 23 -28.511 -7.203 -1.502 1.00 20.00 O ATOM 0 H GLU A 23 -26.607 -8.674 2.129 1.00 20.00 H new ATOM 0 HA GLU A 23 -27.842 -11.081 1.673 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -26.343 -9.184 -0.167 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.194 -10.585 -0.786 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.307 -9.711 0.247 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.435 -8.279 0.756 1.00 20.00 H new ATOM 486 N TRP A 24 -24.594 -11.248 1.093 1.00 20.00 N ATOM 487 CA TRP A 24 -23.494 -12.176 0.870 1.00 20.00 C ATOM 488 C TRP A 24 -23.226 -13.014 2.114 1.00 20.00 C ATOM 489 O TRP A 24 -22.948 -14.209 2.017 1.00 20.00 O ATOM 490 CB TRP A 24 -22.226 -11.429 0.455 1.00 20.00 C ATOM 491 CG TRP A 24 -22.352 -10.753 -0.874 1.00 20.00 C ATOM 492 CD1 TRP A 24 -22.474 -11.360 -2.088 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.359 -9.344 -1.127 1.00 20.00 C ATOM 494 NE1 TRP A 24 -22.569 -10.418 -3.080 1.00 20.00 N ATOM 495 CE2 TRP A 24 -22.497 -9.171 -2.517 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.264 -8.212 -0.314 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -22.542 -7.913 -3.109 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.308 -6.963 -0.903 1.00 20.00 C ATOM 499 CH2 TRP A 24 -22.447 -6.823 -2.288 1.00 20.00 C ATOM 0 H TRP A 24 -24.310 -10.276 1.217 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.784 -12.844 0.059 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -21.985 -10.684 1.214 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -21.392 -12.131 0.422 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -22.493 -12.428 -2.246 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -22.676 -10.614 -4.075 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.158 -8.311 0.756 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -22.648 -7.801 -4.178 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.234 -6.081 -0.284 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.480 -5.833 -2.718 1.00 20.00 H new ATOM 510 N LEU A 25 -23.329 -12.385 3.279 1.00 20.00 N ATOM 511 CA LEU A 25 -23.102 -13.072 4.545 1.00 20.00 C ATOM 512 C LEU A 25 -24.188 -14.126 4.760 1.00 20.00 C ATOM 513 O LEU A 25 -23.908 -15.255 5.162 1.00 20.00 O ATOM 514 CB LEU A 25 -23.078 -12.046 5.698 1.00 20.00 C ATOM 515 CG LEU A 25 -22.713 -12.576 7.100 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.913 -13.227 7.776 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.552 -13.560 7.023 1.00 20.00 C ATOM 0 H LEU A 25 -23.569 -11.398 3.373 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.137 -13.578 4.523 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.369 -11.260 5.438 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.062 -11.580 5.757 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.406 -11.722 7.704 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.623 -13.590 8.762 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.713 -12.495 7.880 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -24.263 -14.063 7.170 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.313 -13.920 8.024 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.831 -14.403 6.391 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -20.680 -13.062 6.599 1.00 20.00 H new ATOM 529 N ARG A 26 -25.419 -13.746 4.452 1.00 20.00 N ATOM 530 CA ARG A 26 -26.572 -14.614 4.619 1.00 20.00 C ATOM 531 C ARG A 26 -26.446 -15.851 3.739 1.00 20.00 C ATOM 532 O ARG A 26 -26.659 -16.971 4.198 1.00 20.00 O ATOM 533 CB ARG A 26 -27.850 -13.842 4.280 1.00 20.00 C ATOM 534 CG ARG A 26 -29.133 -14.588 4.597 1.00 20.00 C ATOM 535 CD ARG A 26 -30.353 -13.734 4.293 1.00 20.00 C ATOM 536 NE ARG A 26 -31.587 -14.383 4.719 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.725 -13.738 4.958 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.812 -12.429 4.767 1.00 20.00 N ATOM 539 NH2 ARG A 26 -33.790 -14.406 5.378 1.00 20.00 N ATOM 0 H ARG A 26 -25.646 -12.824 4.078 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.619 -14.943 5.657 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.847 -12.899 4.827 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.840 -13.594 3.219 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.175 -15.508 4.014 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.140 -14.876 5.648 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.257 -12.771 4.794 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.399 -13.533 3.223 1.00 20.00 H new ATOM 0 HE ARG A 26 -31.577 -15.396 4.841 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.001 -11.907 4.434 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.690 -11.944 4.953 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -33.737 -15.415 5.518 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -34.663 -13.911 5.561 1.00 20.00 H new ATOM 553 N ALA A 27 -26.067 -15.642 2.483 1.00 20.00 N ATOM 554 CA ALA A 27 -25.909 -16.737 1.533 1.00 20.00 C ATOM 555 C ALA A 27 -24.738 -17.634 1.914 1.00 20.00 C ATOM 556 O ALA A 27 -24.691 -18.809 1.547 1.00 20.00 O ATOM 557 CB ALA A 27 -25.713 -16.190 0.130 1.00 20.00 C ATOM 0 H ALA A 27 -25.863 -14.720 2.098 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.818 -17.338 1.559 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.596 -17.017 -0.570 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.581 -15.595 -0.153 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.821 -15.565 0.105 1.00 20.00 H new ATOM 563 N LYS A 28 -23.792 -17.068 2.647 1.00 20.00 N ATOM 564 CA LYS A 28 -22.609 -17.799 3.071 1.00 20.00 C ATOM 565 C LYS A 28 -22.923 -18.675 4.281 1.00 20.00 C ATOM 566 O LYS A 28 -22.589 -19.862 4.302 1.00 20.00 O ATOM 567 CB LYS A 28 -21.471 -16.821 3.388 1.00 20.00 C ATOM 568 CG LYS A 28 -20.191 -17.481 3.875 1.00 20.00 C ATOM 569 CD LYS A 28 -19.062 -16.467 3.985 1.00 20.00 C ATOM 570 CE LYS A 28 -17.810 -17.072 4.607 1.00 20.00 C ATOM 571 NZ LYS A 28 -18.034 -17.478 6.018 1.00 20.00 N ATOM 0 H LYS A 28 -23.822 -16.098 2.962 1.00 20.00 H new ATOM 0 HA LYS A 28 -22.290 -18.450 2.257 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.248 -16.240 2.493 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.814 -16.118 4.147 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.364 -17.945 4.846 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.904 -18.277 3.188 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.824 -16.081 2.994 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.393 -15.620 4.586 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.498 -17.939 4.025 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -16.996 -16.348 4.562 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.118 -17.644 6.481 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -18.544 -16.723 6.520 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.597 -18.352 6.043 1.00 20.00 H new ATOM 585 N VAL A 29 -23.574 -18.090 5.280 1.00 20.00 N ATOM 586 CA VAL A 29 -23.935 -18.817 6.491 1.00 20.00 C ATOM 587 C VAL A 29 -25.028 -19.839 6.202 1.00 20.00 C ATOM 588 O VAL A 29 -24.903 -21.014 6.556 1.00 20.00 O ATOM 589 CB VAL A 29 -24.400 -17.861 7.612 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.867 -18.637 8.835 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.284 -16.901 7.990 1.00 20.00 C ATOM 0 H VAL A 29 -23.863 -17.112 5.275 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.040 -19.336 6.833 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.244 -17.285 7.233 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.188 -17.939 9.608 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.701 -19.283 8.560 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.047 -19.246 9.215 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -23.629 -16.235 8.781 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.421 -17.467 8.343 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.000 -16.312 7.118 1.00 20.00 H new ATOM 772 N HIS A 42 -46.775 -19.284 4.832 1.00 20.00 N ATOM 773 CA HIS A 42 -47.301 -18.786 6.096 1.00 20.00 C ATOM 774 C HIS A 42 -48.191 -17.570 5.857 1.00 20.00 C ATOM 775 O HIS A 42 -48.969 -17.187 6.727 1.00 20.00 O ATOM 776 CB HIS A 42 -46.179 -18.463 7.101 1.00 20.00 C ATOM 777 CG HIS A 42 -45.207 -17.401 6.665 1.00 20.00 C ATOM 778 ND1 HIS A 42 -43.900 -17.675 6.319 1.00 20.00 N ATOM 779 CD2 HIS A 42 -45.345 -16.056 6.559 1.00 20.00 C ATOM 780 CE1 HIS A 42 -43.278 -16.549 6.022 1.00 20.00 C ATOM 781 NE2 HIS A 42 -44.133 -15.554 6.158 1.00 20.00 N ATOM 0 HA HIS A 42 -47.904 -19.578 6.539 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -46.635 -18.150 8.040 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -45.623 -19.378 7.305 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -46.242 -15.486 6.754 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -42.245 -16.458 5.719 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -43.926 -14.569 5.992 1.00 20.00 H new ATOM 790 N ASP A 43 -48.075 -16.973 4.670 1.00 20.00 N ATOM 791 CA ASP A 43 -48.958 -15.876 4.279 1.00 20.00 C ATOM 792 C ASP A 43 -50.405 -16.351 4.300 1.00 20.00 C ATOM 793 O ASP A 43 -51.301 -15.638 4.752 1.00 20.00 O ATOM 794 CB ASP A 43 -48.607 -15.337 2.886 1.00 20.00 C ATOM 795 CG ASP A 43 -47.298 -14.572 2.849 1.00 20.00 C ATOM 796 OD1 ASP A 43 -47.303 -13.359 3.149 1.00 20.00 O ATOM 797 OD2 ASP A 43 -46.259 -15.177 2.507 1.00 20.00 O ATOM 0 H ASP A 43 -47.382 -17.230 3.967 1.00 20.00 H new ATOM 0 HA ASP A 43 -48.824 -15.064 4.994 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -48.552 -16.170 2.185 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -49.410 -14.685 2.544 1.00 20.00 H new ATOM 802 N GLU A 44 -50.613 -17.576 3.830 1.00 20.00 N ATOM 803 CA GLU A 44 -51.922 -18.220 3.860 1.00 20.00 C ATOM 804 C GLU A 44 -52.501 -18.180 5.273 1.00 20.00 C ATOM 805 O GLU A 44 -53.660 -17.815 5.475 1.00 20.00 O ATOM 806 CB GLU A 44 -51.779 -19.671 3.379 1.00 20.00 C ATOM 807 CG GLU A 44 -53.058 -20.487 3.429 1.00 20.00 C ATOM 808 CD GLU A 44 -54.127 -19.968 2.494 1.00 20.00 C ATOM 809 OE1 GLU A 44 -53.918 -20.006 1.262 1.00 20.00 O ATOM 810 OE2 GLU A 44 -55.195 -19.547 2.986 1.00 20.00 O ATOM 0 H GLU A 44 -49.879 -18.151 3.417 1.00 20.00 H new ATOM 0 HA GLU A 44 -52.605 -17.686 3.199 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -51.409 -19.664 2.354 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -51.024 -20.168 3.988 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -52.832 -21.522 3.174 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -53.443 -20.486 4.449 1.00 20.00 H new ATOM 817 N VAL A 45 -51.662 -18.515 6.244 1.00 20.00 N ATOM 818 CA VAL A 45 -52.061 -18.551 7.644 1.00 20.00 C ATOM 819 C VAL A 45 -52.377 -17.151 8.165 1.00 20.00 C ATOM 820 O VAL A 45 -53.403 -16.936 8.809 1.00 20.00 O ATOM 821 CB VAL A 45 -50.953 -19.183 8.514 1.00 20.00 C ATOM 822 CG1 VAL A 45 -51.323 -19.156 9.989 1.00 20.00 C ATOM 823 CG2 VAL A 45 -50.674 -20.604 8.060 1.00 20.00 C ATOM 0 H VAL A 45 -50.687 -18.769 6.083 1.00 20.00 H new ATOM 0 HA VAL A 45 -52.961 -19.162 7.709 1.00 20.00 H new ATOM 0 HB VAL A 45 -50.047 -18.589 8.389 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -50.522 -19.608 10.573 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -51.468 -18.124 10.309 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -52.245 -19.716 10.143 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -49.891 -21.038 8.682 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -51.582 -21.200 8.152 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -50.349 -20.596 7.020 1.00 20.00 H new ATOM 833 N GLU A 46 -51.499 -16.200 7.866 1.00 20.00 N ATOM 834 CA GLU A 46 -51.653 -14.831 8.356 1.00 20.00 C ATOM 835 C GLU A 46 -52.945 -14.196 7.848 1.00 20.00 C ATOM 836 O GLU A 46 -53.633 -13.503 8.593 1.00 20.00 O ATOM 837 CB GLU A 46 -50.455 -13.964 7.961 1.00 20.00 C ATOM 838 CG GLU A 46 -49.119 -14.557 8.377 1.00 20.00 C ATOM 839 CD GLU A 46 -47.952 -13.653 8.053 1.00 20.00 C ATOM 840 OE1 GLU A 46 -47.641 -13.482 6.859 1.00 20.00 O ATOM 841 OE2 GLU A 46 -47.331 -13.120 8.997 1.00 20.00 O ATOM 0 H GLU A 46 -50.673 -16.350 7.287 1.00 20.00 H new ATOM 0 HA GLU A 46 -51.702 -14.885 9.444 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -50.460 -13.821 6.880 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -50.564 -12.979 8.414 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -49.132 -14.756 9.449 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -48.980 -15.515 7.877 1.00 20.00 H new ATOM 848 N ARG A 47 -53.285 -14.446 6.588 1.00 20.00 N ATOM 849 CA ARG A 47 -54.521 -13.909 6.018 1.00 20.00 C ATOM 850 C ARG A 47 -55.745 -14.563 6.655 1.00 20.00 C ATOM 851 O ARG A 47 -56.843 -14.009 6.622 1.00 20.00 O ATOM 852 CB ARG A 47 -54.571 -14.090 4.498 1.00 20.00 C ATOM 853 CG ARG A 47 -53.855 -12.999 3.707 1.00 20.00 C ATOM 854 CD ARG A 47 -52.353 -13.033 3.921 1.00 20.00 C ATOM 855 NE ARG A 47 -51.662 -12.007 3.147 1.00 20.00 N ATOM 856 CZ ARG A 47 -50.985 -12.246 2.025 1.00 20.00 C ATOM 857 NH1 ARG A 47 -51.000 -13.456 1.480 1.00 20.00 N ATOM 858 NH2 ARG A 47 -50.315 -11.266 1.436 1.00 20.00 N ATOM 0 H ARG A 47 -52.730 -15.011 5.945 1.00 20.00 H new ATOM 0 HA ARG A 47 -54.533 -12.841 6.235 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -54.129 -15.054 4.245 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -55.614 -14.125 4.183 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -54.073 -13.119 2.646 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -54.241 -12.024 4.003 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -52.136 -12.895 4.980 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -51.970 -14.015 3.643 1.00 20.00 H new ATOM 0 HE ARG A 47 -51.700 -11.046 3.487 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -51.531 -14.207 1.920 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -50.480 -13.635 0.621 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -50.318 -10.330 1.842 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -49.796 -11.447 0.577 1.00 20.00 H new ATOM 872 N ARG A 48 -55.554 -15.741 7.235 1.00 20.00 N ATOM 873 CA ARG A 48 -56.634 -16.422 7.937 1.00 20.00 C ATOM 874 C ARG A 48 -56.747 -15.882 9.355 1.00 20.00 C ATOM 875 O ARG A 48 -57.846 -15.658 9.864 1.00 20.00 O ATOM 876 CB ARG A 48 -56.406 -17.936 7.967 1.00 20.00 C ATOM 877 CG ARG A 48 -56.416 -18.591 6.593 1.00 20.00 C ATOM 878 CD ARG A 48 -56.178 -20.088 6.688 1.00 20.00 C ATOM 879 NE ARG A 48 -56.081 -20.717 5.371 1.00 20.00 N ATOM 880 CZ ARG A 48 -56.226 -22.025 5.161 1.00 20.00 C ATOM 881 NH1 ARG A 48 -56.496 -22.835 6.177 1.00 20.00 N ATOM 882 NH2 ARG A 48 -56.102 -22.521 3.937 1.00 20.00 N ATOM 0 H ARG A 48 -54.666 -16.243 7.233 1.00 20.00 H new ATOM 0 HA ARG A 48 -57.564 -16.232 7.401 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -55.449 -18.140 8.448 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -57.178 -18.397 8.584 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -57.373 -18.404 6.107 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -55.647 -18.138 5.967 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -55.260 -20.273 7.246 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -56.991 -20.548 7.250 1.00 20.00 H new ATOM 0 HE ARG A 48 -55.891 -20.120 4.566 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -56.593 -22.457 7.119 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -56.607 -23.836 6.016 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -55.895 -21.901 3.154 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -56.213 -23.522 3.779 1.00 20.00 H new ATOM 896 N MET A 49 -55.600 -15.651 9.982 1.00 20.00 N ATOM 897 CA MET A 49 -55.560 -15.104 11.334 1.00 20.00 C ATOM 898 C MET A 49 -55.996 -13.646 11.339 1.00 20.00 C ATOM 899 O MET A 49 -56.397 -13.112 12.370 1.00 20.00 O ATOM 900 CB MET A 49 -54.158 -15.231 11.928 1.00 20.00 C ATOM 901 CG MET A 49 -53.699 -16.667 12.094 1.00 20.00 C ATOM 902 SD MET A 49 -54.832 -17.653 13.090 1.00 20.00 S ATOM 903 CE MET A 49 -54.025 -19.252 13.021 1.00 20.00 C ATOM 0 H MET A 49 -54.683 -15.834 9.575 1.00 20.00 H new ATOM 0 HA MET A 49 -56.253 -15.678 11.948 1.00 20.00 H new ATOM 0 HB2 MET A 49 -53.451 -14.704 11.287 1.00 20.00 H new ATOM 0 HB3 MET A 49 -54.137 -14.737 12.899 1.00 20.00 H new ATOM 0 HG2 MET A 49 -53.594 -17.126 11.111 1.00 20.00 H new ATOM 0 HG3 MET A 49 -52.713 -16.677 12.558 1.00 20.00 H new ATOM 0 HE1 MET A 49 -54.605 -19.977 13.592 1.00 20.00 H new ATOM 0 HE2 MET A 49 -53.955 -19.580 11.984 1.00 20.00 H new ATOM 0 HE3 MET A 49 -53.024 -19.173 13.445 1.00 20.00 H new ATOM 913 N ALA A 50 -55.911 -13.008 10.176 1.00 20.00 N ATOM 914 CA ALA A 50 -56.355 -11.629 10.012 1.00 20.00 C ATOM 915 C ALA A 50 -57.810 -11.467 10.435 1.00 20.00 C ATOM 916 O ALA A 50 -58.199 -10.439 10.990 1.00 20.00 O ATOM 917 CB ALA A 50 -56.177 -11.190 8.569 1.00 20.00 C ATOM 0 H ALA A 50 -55.535 -13.429 9.326 1.00 20.00 H new ATOM 0 HA ALA A 50 -55.743 -10.997 10.655 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -56.512 -10.159 8.459 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -55.125 -11.261 8.294 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -56.767 -11.835 7.917 1.00 20.00 H new ATOM 923 N GLU A 51 -58.608 -12.498 10.184 1.00 20.00 N ATOM 924 CA GLU A 51 -60.020 -12.477 10.545 1.00 20.00 C ATOM 925 C GLU A 51 -60.193 -12.594 12.053 1.00 20.00 C ATOM 926 O GLU A 51 -61.180 -12.122 12.616 1.00 20.00 O ATOM 927 CB GLU A 51 -60.772 -13.613 9.855 1.00 20.00 C ATOM 928 CG GLU A 51 -60.743 -13.545 8.337 1.00 20.00 C ATOM 929 CD GLU A 51 -61.702 -14.529 7.707 1.00 20.00 C ATOM 930 OE1 GLU A 51 -61.323 -15.703 7.523 1.00 20.00 O ATOM 931 OE2 GLU A 51 -62.847 -14.132 7.399 1.00 20.00 O ATOM 0 H GLU A 51 -58.301 -13.359 9.732 1.00 20.00 H new ATOM 0 HA GLU A 51 -60.434 -11.525 10.213 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -60.344 -14.564 10.174 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -61.810 -13.603 10.189 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -60.996 -12.535 8.015 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -59.732 -13.748 7.984 1.00 20.00 H new ATOM 938 N ARG A 52 -59.220 -13.215 12.699 1.00 20.00 N ATOM 939 CA ARG A 52 -59.256 -13.416 14.141 1.00 20.00 C ATOM 940 C ARG A 52 -58.722 -12.175 14.842 1.00 20.00 C ATOM 941 O ARG A 52 -59.085 -11.876 15.978 1.00 20.00 O ATOM 942 CB ARG A 52 -58.426 -14.646 14.523 1.00 20.00 C ATOM 943 CG ARG A 52 -58.841 -15.917 13.790 1.00 20.00 C ATOM 944 CD ARG A 52 -60.265 -16.330 14.130 1.00 20.00 C ATOM 945 NE ARG A 52 -60.379 -16.810 15.504 1.00 20.00 N ATOM 946 CZ ARG A 52 -61.502 -17.276 16.042 1.00 20.00 C ATOM 947 NH1 ARG A 52 -62.637 -17.255 15.353 1.00 20.00 N ATOM 948 NH2 ARG A 52 -61.492 -17.750 17.281 1.00 20.00 N ATOM 0 H ARG A 52 -58.388 -13.592 12.244 1.00 20.00 H new ATOM 0 HA ARG A 52 -60.286 -13.585 14.456 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -57.375 -14.443 14.315 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -58.512 -14.812 15.597 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -58.756 -15.760 12.715 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -58.157 -16.725 14.049 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -60.934 -15.481 13.985 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -60.590 -17.112 13.444 1.00 20.00 H new ATOM 0 HE ARG A 52 -59.544 -16.786 16.089 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -62.651 -16.880 14.405 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -63.495 -17.614 15.772 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -60.625 -17.756 17.818 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -62.352 -18.108 17.697 1.00 20.00 H new ATOM 962 N PHE A 53 -57.876 -11.440 14.128 1.00 20.00 N ATOM 963 CA PHE A 53 -57.322 -10.184 14.618 1.00 20.00 C ATOM 964 C PHE A 53 -58.428 -9.141 14.779 1.00 20.00 C ATOM 965 O PHE A 53 -58.247 -8.112 15.431 1.00 20.00 O ATOM 966 CB PHE A 53 -56.240 -9.685 13.651 1.00 20.00 C ATOM 967 CG PHE A 53 -55.542 -8.429 14.094 1.00 20.00 C ATOM 968 CD1 PHE A 53 -54.688 -8.439 15.187 1.00 20.00 C ATOM 969 CD2 PHE A 53 -55.737 -7.237 13.413 1.00 20.00 C ATOM 970 CE1 PHE A 53 -54.046 -7.285 15.593 1.00 20.00 C ATOM 971 CE2 PHE A 53 -55.096 -6.081 13.814 1.00 20.00 C ATOM 972 CZ PHE A 53 -54.251 -6.105 14.906 1.00 20.00 C ATOM 0 H PHE A 53 -57.556 -11.698 13.195 1.00 20.00 H new ATOM 0 HA PHE A 53 -56.870 -10.350 15.596 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -55.497 -10.472 13.519 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -56.694 -9.509 12.676 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -54.523 -9.360 15.727 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -56.398 -7.212 12.559 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -53.385 -7.306 16.447 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -55.256 -5.159 13.274 1.00 20.00 H new ATOM 0 HZ PHE A 53 -53.751 -5.202 15.222 1.00 20.00 H new ATOM 982 N ALA A 54 -59.584 -9.420 14.188 1.00 20.00 N ATOM 983 CA ALA A 54 -60.754 -8.566 14.344 1.00 20.00 C ATOM 984 C ALA A 54 -61.192 -8.522 15.804 1.00 20.00 C ATOM 985 O ALA A 54 -61.784 -7.544 16.260 1.00 20.00 O ATOM 986 CB ALA A 54 -61.887 -9.061 13.463 1.00 20.00 C ATOM 0 H ALA A 54 -59.736 -10.235 13.594 1.00 20.00 H new ATOM 0 HA ALA A 54 -60.490 -7.555 14.035 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -62.755 -8.414 13.589 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -61.571 -9.045 12.420 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -62.150 -10.080 13.747 1.00 20.00 H new ATOM 992 N LYS A 55 -60.877 -9.586 16.538 1.00 20.00 N ATOM 993 CA LYS A 55 -61.186 -9.654 17.959 1.00 20.00 C ATOM 994 C LYS A 55 -60.322 -8.680 18.746 1.00 20.00 C ATOM 995 O LYS A 55 -60.712 -8.208 19.811 1.00 20.00 O ATOM 996 CB LYS A 55 -60.979 -11.066 18.499 1.00 20.00 C ATOM 997 CG LYS A 55 -61.922 -12.102 17.908 1.00 20.00 C ATOM 998 CD LYS A 55 -61.889 -13.380 18.720 1.00 20.00 C ATOM 999 CE LYS A 55 -62.967 -14.355 18.283 1.00 20.00 C ATOM 1000 NZ LYS A 55 -63.089 -15.493 19.229 1.00 20.00 N ATOM 0 H LYS A 55 -60.407 -10.413 16.169 1.00 20.00 H new ATOM 0 HA LYS A 55 -62.234 -9.381 18.079 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -59.951 -11.372 18.302 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -61.105 -11.051 19.582 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -62.937 -11.706 17.885 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -61.639 -12.313 16.877 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -60.911 -13.850 18.618 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -62.020 -13.143 19.776 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -63.922 -13.835 18.213 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -62.736 -14.732 17.287 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -63.834 -16.139 18.900 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -62.184 -16.003 19.277 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -63.334 -15.134 20.174 1.00 20.00 H new ATOM 1014 N MET A 56 -59.156 -8.360 18.202 1.00 20.00 N ATOM 1015 CA MET A 56 -58.239 -7.434 18.854 1.00 20.00 C ATOM 1016 C MET A 56 -58.762 -6.011 18.755 1.00 20.00 C ATOM 1017 O MET A 56 -58.291 -5.111 19.449 1.00 20.00 O ATOM 1018 CB MET A 56 -56.838 -7.528 18.247 1.00 20.00 C ATOM 1019 CG MET A 56 -56.168 -8.873 18.481 1.00 20.00 C ATOM 1020 SD MET A 56 -56.055 -9.304 20.228 1.00 20.00 S ATOM 1021 CE MET A 56 -54.967 -8.015 20.833 1.00 20.00 C ATOM 0 H MET A 56 -58.822 -8.728 17.311 1.00 20.00 H new ATOM 0 HA MET A 56 -58.172 -7.711 19.906 1.00 20.00 H new ATOM 0 HB2 MET A 56 -56.902 -7.344 17.175 1.00 20.00 H new ATOM 0 HB3 MET A 56 -56.213 -6.741 18.669 1.00 20.00 H new ATOM 0 HG2 MET A 56 -56.726 -9.648 17.956 1.00 20.00 H new ATOM 0 HG3 MET A 56 -55.167 -8.855 18.051 1.00 20.00 H new ATOM 0 HE1 MET A 56 -54.633 -8.264 21.840 1.00 20.00 H new ATOM 0 HE2 MET A 56 -54.103 -7.930 20.174 1.00 20.00 H new ATOM 0 HE3 MET A 56 -55.503 -7.066 20.853 1.00 20.00 H new ATOM 1031 N ARG A 57 -59.746 -5.809 17.889 1.00 20.00 N ATOM 1032 CA ARG A 57 -60.395 -4.517 17.784 1.00 20.00 C ATOM 1033 C ARG A 57 -61.439 -4.389 18.892 1.00 20.00 C ATOM 1034 O ARG A 57 -61.860 -3.288 19.253 1.00 20.00 O ATOM 1035 CB ARG A 57 -61.036 -4.333 16.403 1.00 20.00 C ATOM 1036 CG ARG A 57 -61.419 -2.891 16.101 1.00 20.00 C ATOM 1037 CD ARG A 57 -60.197 -1.983 16.095 1.00 20.00 C ATOM 1038 NE ARG A 57 -60.555 -0.572 16.004 1.00 20.00 N ATOM 1039 CZ ARG A 57 -60.010 0.380 16.760 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -59.069 0.072 17.647 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -60.394 1.642 16.620 1.00 20.00 N ATOM 0 H ARG A 57 -60.108 -6.521 17.254 1.00 20.00 H new ATOM 0 HA ARG A 57 -59.648 -3.732 17.901 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -60.342 -4.684 15.639 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -61.926 -4.959 16.338 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -61.917 -2.840 15.133 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -62.133 -2.539 16.846 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -59.618 -2.151 17.003 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -59.555 -2.247 15.255 1.00 20.00 H new ATOM 0 HE ARG A 57 -61.263 -0.299 15.323 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -58.762 -0.895 17.750 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -58.654 0.803 18.224 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -61.108 1.885 15.933 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -59.976 2.370 17.200 1.00 20.00 H new