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 Set 1.1: A 19 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Set 1.2: A 56 MET CE :methyl -153:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.404 K(o=-0.4,f=-1.5) USER MOD Single : A 20 SER OG : rot -91:sc= 1.28 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0143 K(o=-0.014,f=-1.6!) USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.0692 (180deg=-0.464) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= -0.636 (180deg=-0.776) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -30.852 -0.379 1.646 1.00 20.00 N ATOM 365 CA GLU A 16 -30.501 -1.434 0.697 1.00 20.00 C ATOM 366 C GLU A 16 -29.063 -1.917 0.871 1.00 20.00 C ATOM 367 O GLU A 16 -28.810 -3.121 0.896 1.00 20.00 O ATOM 368 CB GLU A 16 -30.700 -0.933 -0.734 1.00 20.00 C ATOM 369 CG GLU A 16 -32.151 -0.673 -1.100 1.00 20.00 C ATOM 370 CD GLU A 16 -32.989 -1.933 -1.099 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.823 -2.763 -2.019 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.817 -2.102 -0.184 1.00 20.00 O ATOM 0 HA GLU A 16 -31.160 -2.279 0.896 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.131 -0.013 -0.869 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.287 -1.667 -1.426 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.576 0.042 -0.396 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.195 -0.213 -2.087 1.00 20.00 H new ATOM 379 N GLN A 17 -28.132 -0.979 1.006 1.00 20.00 N ATOM 380 CA GLN A 17 -26.711 -1.309 1.083 1.00 20.00 C ATOM 381 C GLN A 17 -26.430 -2.227 2.277 1.00 20.00 C ATOM 382 O GLN A 17 -25.723 -3.229 2.148 1.00 20.00 O ATOM 383 CB GLN A 17 -25.881 -0.019 1.179 1.00 20.00 C ATOM 384 CG GLN A 17 -24.420 -0.162 0.757 1.00 20.00 C ATOM 385 CD GLN A 17 -23.559 -0.895 1.772 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.804 -0.831 2.978 1.00 20.00 O ATOM 387 NE2 GLN A 17 -22.539 -1.590 1.291 1.00 20.00 N ATOM 0 H GLN A 17 -28.335 0.019 1.065 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.425 -1.844 0.177 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.350 0.745 0.559 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.914 0.341 2.207 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.376 -0.693 -0.194 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.001 0.830 0.588 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -22.370 -1.618 0.286 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -21.923 -2.097 1.926 1.00 20.00 H new ATOM 396 N GLU A 18 -27.008 -1.898 3.427 1.00 20.00 N ATOM 397 CA GLU A 18 -26.786 -2.681 4.638 1.00 20.00 C ATOM 398 C GLU A 18 -27.626 -3.950 4.627 1.00 20.00 C ATOM 399 O GLU A 18 -27.174 -5.010 5.057 1.00 20.00 O ATOM 400 CB GLU A 18 -27.109 -1.853 5.888 1.00 20.00 C ATOM 401 CG GLU A 18 -26.216 -0.638 6.069 1.00 20.00 C ATOM 402 CD GLU A 18 -26.466 0.069 7.382 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.383 0.912 7.449 1.00 20.00 O ATOM 404 OE2 GLU A 18 -25.741 -0.210 8.357 1.00 20.00 O ATOM 0 H GLU A 18 -27.631 -1.099 3.547 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.733 -2.960 4.664 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.147 -1.524 5.836 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.020 -2.491 6.767 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.172 -0.947 6.019 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.383 0.058 5.247 1.00 20.00 H new ATOM 411 N ASN A 19 -28.844 -3.843 4.118 1.00 20.00 N ATOM 412 CA ASN A 19 -29.758 -4.981 4.073 1.00 20.00 C ATOM 413 C ASN A 19 -29.209 -6.077 3.166 1.00 20.00 C ATOM 414 O ASN A 19 -29.272 -7.261 3.497 1.00 20.00 O ATOM 415 CB ASN A 19 -31.142 -4.539 3.591 1.00 20.00 C ATOM 416 CG ASN A 19 -32.142 -5.680 3.552 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.060 -6.627 4.337 1.00 20.00 O ATOM 418 ND2 ASN A 19 -33.103 -5.590 2.649 1.00 20.00 N ATOM 0 H ASN A 19 -29.225 -2.980 3.729 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.852 -5.382 5.082 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.518 -3.755 4.248 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.054 -4.105 2.595 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.812 -6.321 2.584 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.136 -4.790 2.017 1.00 20.00 H new ATOM 425 N SER A 20 -28.640 -5.680 2.035 1.00 20.00 N ATOM 426 CA SER A 20 -28.066 -6.641 1.107 1.00 20.00 C ATOM 427 C SER A 20 -26.768 -7.213 1.663 1.00 20.00 C ATOM 428 O SER A 20 -26.337 -8.293 1.264 1.00 20.00 O ATOM 429 CB SER A 20 -27.828 -5.995 -0.259 1.00 20.00 C ATOM 430 OG SER A 20 -27.051 -4.816 -0.139 1.00 20.00 O ATOM 0 H SER A 20 -28.565 -4.706 1.741 1.00 20.00 H new ATOM 0 HA SER A 20 -28.775 -7.459 0.980 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.322 -6.702 -0.916 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.785 -5.758 -0.724 1.00 20.00 H new ATOM 0 HG SER A 20 -27.644 -4.044 -0.025 1.00 20.00 H new ATOM 436 N TYR A 21 -26.152 -6.492 2.595 1.00 20.00 N ATOM 437 CA TYR A 21 -24.948 -6.980 3.248 1.00 20.00 C ATOM 438 C TYR A 21 -25.310 -8.112 4.205 1.00 20.00 C ATOM 439 O TYR A 21 -24.571 -9.084 4.341 1.00 20.00 O ATOM 440 CB TYR A 21 -24.227 -5.855 3.999 1.00 20.00 C ATOM 441 CG TYR A 21 -22.903 -6.288 4.597 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.753 -6.330 3.819 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.805 -6.666 5.932 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.545 -6.737 4.352 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.599 -7.071 6.472 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.473 -7.105 5.678 1.00 20.00 C ATOM 447 OH TYR A 21 -19.272 -7.516 6.210 1.00 20.00 O ATOM 0 H TYR A 21 -26.466 -5.575 2.911 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.267 -7.355 2.484 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.055 -5.023 3.316 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.874 -5.485 4.795 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.804 -6.040 2.780 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.686 -6.643 6.557 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.661 -6.767 3.732 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.539 -7.359 7.511 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.393 -7.739 7.157 1.00 20.00 H new ATOM 457 N ASN A 22 -26.460 -7.981 4.855 1.00 20.00 N ATOM 458 CA ASN A 22 -26.974 -9.040 5.716 1.00 20.00 C ATOM 459 C ASN A 22 -27.327 -10.260 4.879 1.00 20.00 C ATOM 460 O ASN A 22 -27.080 -11.399 5.279 1.00 20.00 O ATOM 461 CB ASN A 22 -28.205 -8.568 6.499 1.00 20.00 C ATOM 462 CG ASN A 22 -27.873 -7.547 7.576 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.926 -6.769 7.451 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.652 -7.542 8.645 1.00 20.00 N ATOM 0 H ASN A 22 -27.054 -7.153 4.803 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.197 -9.304 6.433 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.925 -8.134 5.805 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.687 -9.430 6.960 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.477 -6.879 9.400 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.427 -8.201 8.714 1.00 20.00 H new ATOM 471 N GLU A 23 -27.891 -10.011 3.702 1.00 20.00 N ATOM 472 CA GLU A 23 -28.195 -11.076 2.756 1.00 20.00 C ATOM 473 C GLU A 23 -26.894 -11.712 2.260 1.00 20.00 C ATOM 474 O GLU A 23 -26.815 -12.922 2.054 1.00 20.00 O ATOM 475 CB GLU A 23 -29.008 -10.520 1.578 1.00 20.00 C ATOM 476 CG GLU A 23 -29.560 -11.585 0.640 1.00 20.00 C ATOM 477 CD GLU A 23 -30.595 -12.477 1.302 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.785 -12.095 1.338 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.225 -13.570 1.784 1.00 20.00 O ATOM 0 H GLU A 23 -28.147 -9.077 3.381 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.792 -11.840 3.254 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.838 -9.932 1.970 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.378 -9.840 1.006 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.007 -11.101 -0.228 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.738 -12.200 0.274 1.00 20.00 H new ATOM 486 N TRP A 24 -25.871 -10.882 2.091 1.00 20.00 N ATOM 487 CA TRP A 24 -24.547 -11.347 1.690 1.00 20.00 C ATOM 488 C TRP A 24 -23.910 -12.178 2.801 1.00 20.00 C ATOM 489 O TRP A 24 -23.170 -13.123 2.536 1.00 20.00 O ATOM 490 CB TRP A 24 -23.655 -10.152 1.329 1.00 20.00 C ATOM 491 CG TRP A 24 -22.248 -10.526 0.970 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.126 -10.287 1.710 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.812 -11.210 -0.212 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.019 -10.768 1.057 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.415 -11.341 -0.125 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.467 -11.722 -1.337 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.661 -11.963 -1.116 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.718 -12.339 -2.320 1.00 20.00 C ATOM 499 CH2 TRP A 24 -20.328 -12.455 -2.205 1.00 20.00 C ATOM 0 H TRP A 24 -25.934 -9.873 2.227 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.652 -11.982 0.810 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.103 -9.618 0.491 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.632 -9.461 2.172 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.112 -9.792 2.670 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.059 -10.709 1.395 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.539 -11.636 -1.435 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.588 -12.054 -1.029 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.214 -12.739 -3.192 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -19.771 -12.942 -2.991 1.00 20.00 H new ATOM 510 N LEU A 25 -24.211 -11.829 4.045 1.00 20.00 N ATOM 511 CA LEU A 25 -23.722 -12.585 5.189 1.00 20.00 C ATOM 512 C LEU A 25 -24.367 -13.968 5.215 1.00 20.00 C ATOM 513 O LEU A 25 -23.774 -14.940 5.682 1.00 20.00 O ATOM 514 CB LEU A 25 -24.008 -11.829 6.489 1.00 20.00 C ATOM 515 CG LEU A 25 -23.465 -12.479 7.765 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.959 -12.677 7.670 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.810 -11.626 8.974 1.00 20.00 C ATOM 0 H LEU A 25 -24.792 -11.026 4.287 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.643 -12.707 5.097 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.587 -10.827 6.406 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.087 -11.714 6.592 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.931 -13.458 7.879 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.594 -13.140 8.587 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.730 -13.322 6.822 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.473 -11.711 7.533 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.419 -12.098 9.876 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.366 -10.637 8.860 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.893 -11.530 9.055 1.00 20.00 H new ATOM 529 N ARG A 26 -25.588 -14.045 4.699 1.00 20.00 N ATOM 530 CA ARG A 26 -26.277 -15.319 4.549 1.00 20.00 C ATOM 531 C ARG A 26 -25.778 -16.045 3.307 1.00 20.00 C ATOM 532 O ARG A 26 -25.844 -17.274 3.219 1.00 20.00 O ATOM 533 CB ARG A 26 -27.789 -15.104 4.470 1.00 20.00 C ATOM 534 CG ARG A 26 -28.412 -14.642 5.779 1.00 20.00 C ATOM 535 CD ARG A 26 -28.186 -15.658 6.890 1.00 20.00 C ATOM 536 NE ARG A 26 -28.594 -17.005 6.489 1.00 20.00 N ATOM 537 CZ ARG A 26 -28.395 -18.098 7.223 1.00 20.00 C ATOM 538 NH1 ARG A 26 -27.814 -18.011 8.414 1.00 20.00 N ATOM 539 NH2 ARG A 26 -28.770 -19.280 6.757 1.00 20.00 N ATOM 0 H ARG A 26 -26.122 -13.238 4.377 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.062 -15.935 5.422 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.002 -14.366 3.697 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.264 -16.035 4.161 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.984 -13.682 6.069 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.482 -14.485 5.639 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -27.132 -15.665 7.166 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -28.746 -15.358 7.776 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.061 -17.114 5.589 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -27.517 -17.103 8.772 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -27.665 -18.852 8.971 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -29.209 -19.350 5.839 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -28.619 -20.120 7.316 1.00 20.00 H new ATOM 553 N ALA A 27 -25.268 -15.276 2.354 1.00 20.00 N ATOM 554 CA ALA A 27 -24.659 -15.832 1.155 1.00 20.00 C ATOM 555 C ALA A 27 -23.284 -16.394 1.477 1.00 20.00 C ATOM 556 O ALA A 27 -22.702 -17.142 0.698 1.00 20.00 O ATOM 557 CB ALA A 27 -24.559 -14.777 0.065 1.00 20.00 C ATOM 0 H ALA A 27 -25.265 -14.257 2.390 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.291 -16.641 0.790 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.101 -15.213 -0.823 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.556 -14.414 -0.183 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.948 -13.946 0.418 1.00 20.00 H new ATOM 563 N LYS A 28 -22.762 -16.013 2.631 1.00 20.00 N ATOM 564 CA LYS A 28 -21.524 -16.585 3.129 1.00 20.00 C ATOM 565 C LYS A 28 -21.790 -18.012 3.592 1.00 20.00 C ATOM 566 O LYS A 28 -20.930 -18.885 3.493 1.00 20.00 O ATOM 567 CB LYS A 28 -20.969 -15.739 4.280 1.00 20.00 C ATOM 568 CG LYS A 28 -19.596 -16.177 4.766 1.00 20.00 C ATOM 569 CD LYS A 28 -19.133 -15.330 5.940 1.00 20.00 C ATOM 570 CE LYS A 28 -17.681 -15.614 6.302 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.753 -15.290 5.184 1.00 20.00 N ATOM 0 H LYS A 28 -23.178 -15.309 3.241 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.780 -16.596 2.333 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.914 -14.699 3.959 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.668 -15.778 5.115 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.629 -17.226 5.061 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.877 -16.098 3.951 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.247 -14.274 5.694 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.768 -15.527 6.804 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.406 -15.032 7.181 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.573 -16.665 6.569 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.787 -15.185 5.554 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.773 -16.057 4.482 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.050 -14.401 4.733 1.00 20.00 H new ATOM 585 N VAL A 29 -23.007 -18.232 4.080 1.00 20.00 N ATOM 586 CA VAL A 29 -23.453 -19.554 4.493 1.00 20.00 C ATOM 587 C VAL A 29 -23.742 -20.418 3.271 1.00 20.00 C ATOM 588 O VAL A 29 -23.265 -21.550 3.167 1.00 20.00 O ATOM 589 CB VAL A 29 -24.722 -19.469 5.370 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.211 -20.856 5.753 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.460 -18.631 6.609 1.00 20.00 C ATOM 0 H VAL A 29 -23.708 -17.500 4.199 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.653 -20.004 5.081 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.505 -18.984 4.787 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.105 -20.769 6.370 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.446 -21.421 4.851 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.433 -21.374 6.313 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.365 -18.583 7.214 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.658 -19.084 7.192 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.168 -17.624 6.312 1.00 20.00 H new ATOM 772 N HIS A 42 -46.209 -17.100 -3.149 1.00 20.00 N ATOM 773 CA HIS A 42 -47.034 -16.230 -2.311 1.00 20.00 C ATOM 774 C HIS A 42 -46.980 -16.623 -0.838 1.00 20.00 C ATOM 775 O HIS A 42 -47.237 -15.793 0.036 1.00 20.00 O ATOM 776 CB HIS A 42 -48.483 -16.213 -2.804 1.00 20.00 C ATOM 777 CG HIS A 42 -48.680 -15.399 -4.046 1.00 20.00 C ATOM 778 ND1 HIS A 42 -49.443 -14.252 -4.081 1.00 20.00 N ATOM 779 CD2 HIS A 42 -48.206 -15.570 -5.304 1.00 20.00 C ATOM 780 CE1 HIS A 42 -49.432 -13.755 -5.303 1.00 20.00 C ATOM 781 NE2 HIS A 42 -48.688 -14.534 -6.063 1.00 20.00 N ATOM 0 HA HIS A 42 -46.619 -15.225 -2.395 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -48.806 -17.236 -2.994 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -49.123 -15.818 -2.015 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -47.568 -16.372 -5.645 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -49.945 -12.861 -5.626 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -48.501 -14.390 -7.055 1.00 20.00 H new ATOM 790 N ASP A 43 -46.644 -17.878 -0.564 1.00 20.00 N ATOM 791 CA ASP A 43 -46.474 -18.337 0.812 1.00 20.00 C ATOM 792 C ASP A 43 -45.247 -17.689 1.436 1.00 20.00 C ATOM 793 O ASP A 43 -45.272 -17.264 2.593 1.00 20.00 O ATOM 794 CB ASP A 43 -46.338 -19.864 0.880 1.00 20.00 C ATOM 795 CG ASP A 43 -47.656 -20.589 0.702 1.00 20.00 C ATOM 796 OD1 ASP A 43 -48.194 -20.597 -0.426 1.00 20.00 O ATOM 797 OD2 ASP A 43 -48.153 -21.176 1.688 1.00 20.00 O ATOM 0 H ASP A 43 -46.484 -18.594 -1.272 1.00 20.00 H new ATOM 0 HA ASP A 43 -47.364 -18.046 1.370 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -45.642 -20.195 0.109 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -45.905 -20.141 1.841 1.00 20.00 H new ATOM 802 N GLU A 44 -44.182 -17.595 0.650 1.00 20.00 N ATOM 803 CA GLU A 44 -42.932 -17.015 1.117 1.00 20.00 C ATOM 804 C GLU A 44 -42.999 -15.491 1.086 1.00 20.00 C ATOM 805 O GLU A 44 -42.394 -14.822 1.922 1.00 20.00 O ATOM 806 CB GLU A 44 -41.756 -17.520 0.273 1.00 20.00 C ATOM 807 CG GLU A 44 -40.434 -16.839 0.594 1.00 20.00 C ATOM 808 CD GLU A 44 -39.282 -17.374 -0.230 1.00 20.00 C ATOM 809 OE1 GLU A 44 -39.455 -17.568 -1.450 1.00 20.00 O ATOM 810 OE2 GLU A 44 -38.197 -17.618 0.343 1.00 20.00 O ATOM 0 H GLU A 44 -44.161 -17.915 -0.318 1.00 20.00 H new ATOM 0 HA GLU A 44 -42.775 -17.328 2.149 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -41.647 -18.594 0.424 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -41.986 -17.368 -0.782 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -40.531 -15.767 0.421 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -40.210 -16.972 1.652 1.00 20.00 H new ATOM 817 N VAL A 45 -43.742 -14.945 0.124 1.00 20.00 N ATOM 818 CA VAL A 45 -43.945 -13.501 0.043 1.00 20.00 C ATOM 819 C VAL A 45 -44.511 -12.974 1.354 1.00 20.00 C ATOM 820 O VAL A 45 -44.019 -11.988 1.904 1.00 20.00 O ATOM 821 CB VAL A 45 -44.896 -13.109 -1.109 1.00 20.00 C ATOM 822 CG1 VAL A 45 -45.189 -11.619 -1.085 1.00 20.00 C ATOM 823 CG2 VAL A 45 -44.310 -13.503 -2.452 1.00 20.00 C ATOM 0 H VAL A 45 -44.211 -15.479 -0.607 1.00 20.00 H new ATOM 0 HA VAL A 45 -42.970 -13.055 -0.153 1.00 20.00 H new ATOM 0 HB VAL A 45 -45.832 -13.650 -0.966 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -45.861 -11.367 -1.906 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -45.659 -11.356 -0.137 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -44.258 -11.063 -1.195 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -44.998 -13.217 -3.247 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -43.357 -12.995 -2.596 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -44.154 -14.581 -2.478 1.00 20.00 H new ATOM 833 N GLU A 46 -45.529 -13.660 1.858 1.00 20.00 N ATOM 834 CA GLU A 46 -46.156 -13.293 3.122 1.00 20.00 C ATOM 835 C GLU A 46 -45.137 -13.337 4.256 1.00 20.00 C ATOM 836 O GLU A 46 -45.062 -12.419 5.071 1.00 20.00 O ATOM 837 CB GLU A 46 -47.325 -14.229 3.431 1.00 20.00 C ATOM 838 CG GLU A 46 -48.010 -13.928 4.754 1.00 20.00 C ATOM 839 CD GLU A 46 -49.176 -14.848 5.017 1.00 20.00 C ATOM 840 OE1 GLU A 46 -48.947 -15.978 5.496 1.00 20.00 O ATOM 841 OE2 GLU A 46 -50.325 -14.450 4.737 1.00 20.00 O ATOM 0 H GLU A 46 -45.940 -14.478 1.408 1.00 20.00 H new ATOM 0 HA GLU A 46 -46.536 -12.275 3.032 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -48.058 -14.159 2.627 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -46.963 -15.257 3.444 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -47.287 -14.021 5.564 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -48.358 -12.895 4.754 1.00 20.00 H new ATOM 848 N ARG A 47 -44.345 -14.401 4.284 1.00 20.00 N ATOM 849 CA ARG A 47 -43.317 -14.563 5.302 1.00 20.00 C ATOM 850 C ARG A 47 -42.308 -13.422 5.219 1.00 20.00 C ATOM 851 O ARG A 47 -41.947 -12.826 6.231 1.00 20.00 O ATOM 852 CB ARG A 47 -42.609 -15.912 5.130 1.00 20.00 C ATOM 853 CG ARG A 47 -41.539 -16.190 6.178 1.00 20.00 C ATOM 854 CD ARG A 47 -42.125 -16.236 7.582 1.00 20.00 C ATOM 855 NE ARG A 47 -43.121 -17.297 7.734 1.00 20.00 N ATOM 856 CZ ARG A 47 -44.252 -17.167 8.428 1.00 20.00 C ATOM 857 NH1 ARG A 47 -44.547 -16.018 9.022 1.00 20.00 N ATOM 858 NH2 ARG A 47 -45.088 -18.193 8.529 1.00 20.00 N ATOM 0 H ARG A 47 -44.396 -15.166 3.611 1.00 20.00 H new ATOM 0 HA ARG A 47 -43.790 -14.540 6.284 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -43.353 -16.708 5.166 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -42.152 -15.947 4.141 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -41.050 -17.139 5.956 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -40.772 -15.417 6.129 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -41.322 -16.388 8.303 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -42.583 -15.275 7.814 1.00 20.00 H new ATOM 0 HE ARG A 47 -42.939 -18.192 7.281 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -43.907 -15.227 8.949 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -45.414 -15.925 9.551 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -44.865 -19.079 8.076 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -45.954 -18.095 9.060 1.00 20.00 H new ATOM 872 N ARG A 48 -41.883 -13.108 4.002 1.00 20.00 N ATOM 873 CA ARG A 48 -40.909 -12.050 3.771 1.00 20.00 C ATOM 874 C ARG A 48 -41.470 -10.690 4.177 1.00 20.00 C ATOM 875 O ARG A 48 -40.752 -9.852 4.717 1.00 20.00 O ATOM 876 CB ARG A 48 -40.485 -12.025 2.300 1.00 20.00 C ATOM 877 CG ARG A 48 -39.390 -11.011 2.002 1.00 20.00 C ATOM 878 CD ARG A 48 -38.905 -11.101 0.562 1.00 20.00 C ATOM 879 NE ARG A 48 -39.928 -10.706 -0.405 1.00 20.00 N ATOM 880 CZ ARG A 48 -39.681 -10.523 -1.702 1.00 20.00 C ATOM 881 NH1 ARG A 48 -38.454 -10.703 -2.177 1.00 20.00 N ATOM 882 NH2 ARG A 48 -40.657 -10.155 -2.525 1.00 20.00 N ATOM 0 H ARG A 48 -42.201 -13.576 3.153 1.00 20.00 H new ATOM 0 HA ARG A 48 -40.035 -12.258 4.388 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -40.138 -13.018 2.013 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -41.355 -11.801 1.683 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -39.764 -10.006 2.196 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -38.551 -11.175 2.678 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -38.029 -10.465 0.438 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -38.589 -12.123 0.353 1.00 20.00 H new ATOM 0 HE ARG A 48 -40.881 -10.563 -0.070 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -37.700 -10.981 -1.549 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -38.266 -10.563 -3.170 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -41.601 -10.011 -2.165 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -40.463 -10.016 -3.517 1.00 20.00 H new ATOM 896 N MET A 49 -42.755 -10.479 3.923 1.00 20.00 N ATOM 897 CA MET A 49 -43.399 -9.217 4.269 1.00 20.00 C ATOM 898 C MET A 49 -43.599 -9.096 5.773 1.00 20.00 C ATOM 899 O MET A 49 -43.509 -8.001 6.334 1.00 20.00 O ATOM 900 CB MET A 49 -44.732 -9.072 3.543 1.00 20.00 C ATOM 901 CG MET A 49 -44.571 -8.812 2.058 1.00 20.00 C ATOM 902 SD MET A 49 -43.634 -7.307 1.725 1.00 20.00 S ATOM 903 CE MET A 49 -43.609 -7.316 -0.065 1.00 20.00 C ATOM 0 H MET A 49 -43.370 -11.162 3.481 1.00 20.00 H new ATOM 0 HA MET A 49 -42.740 -8.410 3.948 1.00 20.00 H new ATOM 0 HB2 MET A 49 -45.318 -9.980 3.686 1.00 20.00 H new ATOM 0 HB3 MET A 49 -45.296 -8.254 3.991 1.00 20.00 H new ATOM 0 HG2 MET A 49 -44.068 -9.661 1.595 1.00 20.00 H new ATOM 0 HG3 MET A 49 -45.555 -8.734 1.596 1.00 20.00 H new ATOM 0 HE1 MET A 49 -43.063 -6.444 -0.426 1.00 20.00 H new ATOM 0 HE2 MET A 49 -43.118 -8.223 -0.417 1.00 20.00 H new ATOM 0 HE3 MET A 49 -44.631 -7.286 -0.443 1.00 20.00 H new ATOM 913 N ALA A 50 -43.867 -10.220 6.421 1.00 20.00 N ATOM 914 CA ALA A 50 -43.959 -10.256 7.871 1.00 20.00 C ATOM 915 C ALA A 50 -42.601 -9.944 8.485 1.00 20.00 C ATOM 916 O ALA A 50 -42.497 -9.176 9.442 1.00 20.00 O ATOM 917 CB ALA A 50 -44.461 -11.614 8.337 1.00 20.00 C ATOM 0 H ALA A 50 -44.024 -11.119 5.965 1.00 20.00 H new ATOM 0 HA ALA A 50 -44.672 -9.500 8.200 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -44.524 -11.625 9.425 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -45.448 -11.802 7.914 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -43.771 -12.390 8.006 1.00 20.00 H new ATOM 923 N GLU A 51 -41.561 -10.529 7.904 1.00 20.00 N ATOM 924 CA GLU A 51 -40.192 -10.282 8.337 1.00 20.00 C ATOM 925 C GLU A 51 -39.777 -8.851 8.018 1.00 20.00 C ATOM 926 O GLU A 51 -38.947 -8.262 8.712 1.00 20.00 O ATOM 927 CB GLU A 51 -39.238 -11.267 7.657 1.00 20.00 C ATOM 928 CG GLU A 51 -39.436 -12.709 8.092 1.00 20.00 C ATOM 929 CD GLU A 51 -39.231 -12.897 9.576 1.00 20.00 C ATOM 930 OE1 GLU A 51 -38.070 -13.074 9.998 1.00 20.00 O ATOM 931 OE2 GLU A 51 -40.227 -12.865 10.330 1.00 20.00 O ATOM 0 H GLU A 51 -41.641 -11.183 7.125 1.00 20.00 H new ATOM 0 HA GLU A 51 -40.142 -10.425 9.416 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -39.371 -11.201 6.577 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -38.211 -10.970 7.870 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -40.442 -13.032 7.823 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -38.740 -13.348 7.548 1.00 20.00 H new ATOM 938 N ARG A 52 -40.351 -8.309 6.955 1.00 20.00 N ATOM 939 CA ARG A 52 -40.103 -6.933 6.553 1.00 20.00 C ATOM 940 C ARG A 52 -40.542 -5.976 7.651 1.00 20.00 C ATOM 941 O ARG A 52 -39.765 -5.139 8.105 1.00 20.00 O ATOM 942 CB ARG A 52 -40.860 -6.628 5.254 1.00 20.00 C ATOM 943 CG ARG A 52 -40.658 -5.216 4.729 1.00 20.00 C ATOM 944 CD ARG A 52 -39.245 -5.009 4.215 1.00 20.00 C ATOM 945 NE ARG A 52 -39.055 -3.668 3.667 1.00 20.00 N ATOM 946 CZ ARG A 52 -38.341 -3.405 2.576 1.00 20.00 C ATOM 947 NH1 ARG A 52 -37.777 -4.394 1.894 1.00 20.00 N ATOM 948 NH2 ARG A 52 -38.200 -2.152 2.164 1.00 20.00 N ATOM 0 H ARG A 52 -41.000 -8.809 6.348 1.00 20.00 H new ATOM 0 HA ARG A 52 -39.034 -6.801 6.383 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -40.544 -7.336 4.488 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -41.925 -6.792 5.421 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -41.370 -5.020 3.927 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -40.866 -4.499 5.523 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -38.536 -5.173 5.026 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -39.026 -5.750 3.446 1.00 20.00 H new ATOM 0 HE ARG A 52 -39.497 -2.886 4.150 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -37.891 -5.358 2.206 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -37.230 -4.190 1.058 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -38.639 -1.392 2.684 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -37.653 -1.949 1.328 1.00 20.00 H new ATOM 962 N PHE A 53 -41.784 -6.131 8.090 1.00 20.00 N ATOM 963 CA PHE A 53 -42.354 -5.255 9.101 1.00 20.00 C ATOM 964 C PHE A 53 -41.712 -5.504 10.460 1.00 20.00 C ATOM 965 O PHE A 53 -41.602 -4.596 11.278 1.00 20.00 O ATOM 966 CB PHE A 53 -43.867 -5.468 9.187 1.00 20.00 C ATOM 967 CG PHE A 53 -44.553 -4.551 10.163 1.00 20.00 C ATOM 968 CD1 PHE A 53 -44.718 -3.205 9.874 1.00 20.00 C ATOM 969 CD2 PHE A 53 -45.031 -5.036 11.371 1.00 20.00 C ATOM 970 CE1 PHE A 53 -45.347 -2.362 10.771 1.00 20.00 C ATOM 971 CE2 PHE A 53 -45.659 -4.196 12.270 1.00 20.00 C ATOM 972 CZ PHE A 53 -45.818 -2.859 11.969 1.00 20.00 C ATOM 0 H PHE A 53 -42.417 -6.859 7.759 1.00 20.00 H new ATOM 0 HA PHE A 53 -42.154 -4.223 8.813 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -44.302 -5.323 8.198 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -44.064 -6.501 9.473 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -44.351 -2.811 8.938 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -44.911 -6.082 11.612 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -45.470 -1.315 10.534 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -46.025 -4.586 13.208 1.00 20.00 H new ATOM 0 HZ PHE A 53 -46.311 -2.202 12.670 1.00 20.00 H new ATOM 982 N ALA A 54 -41.283 -6.736 10.689 1.00 20.00 N ATOM 983 CA ALA A 54 -40.705 -7.119 11.968 1.00 20.00 C ATOM 984 C ALA A 54 -39.396 -6.384 12.249 1.00 20.00 C ATOM 985 O ALA A 54 -39.321 -5.562 13.164 1.00 20.00 O ATOM 986 CB ALA A 54 -40.486 -8.620 12.010 1.00 20.00 C ATOM 0 H ALA A 54 -41.325 -7.490 10.003 1.00 20.00 H new ATOM 0 HA ALA A 54 -41.411 -6.833 12.748 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -40.053 -8.898 12.971 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -41.440 -9.131 11.881 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -39.807 -8.911 11.208 1.00 20.00 H new ATOM 992 N LYS A 55 -38.368 -6.670 11.459 1.00 20.00 N ATOM 993 CA LYS A 55 -37.051 -6.097 11.702 1.00 20.00 C ATOM 994 C LYS A 55 -36.996 -4.629 11.294 1.00 20.00 C ATOM 995 O LYS A 55 -36.491 -3.784 12.036 1.00 20.00 O ATOM 996 CB LYS A 55 -35.961 -6.902 10.985 1.00 20.00 C ATOM 997 CG LYS A 55 -36.205 -7.123 9.503 1.00 20.00 C ATOM 998 CD LYS A 55 -35.040 -7.856 8.861 1.00 20.00 C ATOM 999 CE LYS A 55 -35.371 -8.311 7.449 1.00 20.00 C ATOM 1000 NZ LYS A 55 -36.464 -9.317 7.439 1.00 20.00 N ATOM 0 H LYS A 55 -38.420 -7.290 10.651 1.00 20.00 H new ATOM 0 HA LYS A 55 -36.864 -6.150 12.775 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -35.008 -6.388 11.109 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -35.866 -7.872 11.472 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -37.121 -7.697 9.364 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -36.352 -6.163 9.008 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -34.168 -7.203 8.838 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -34.775 -8.721 9.469 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -35.663 -7.450 6.848 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -34.481 -8.736 6.985 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -36.571 -9.704 6.480 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -36.233 -10.087 8.099 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -37.354 -8.865 7.731 1.00 20.00 H new ATOM 1014 N MET A 56 -37.560 -4.316 10.137 1.00 20.00 N ATOM 1015 CA MET A 56 -37.506 -2.960 9.609 1.00 20.00 C ATOM 1016 C MET A 56 -38.605 -2.091 10.202 1.00 20.00 C ATOM 1017 O MET A 56 -38.876 -0.999 9.702 1.00 20.00 O ATOM 1018 CB MET A 56 -37.584 -2.952 8.082 1.00 20.00 C ATOM 1019 CG MET A 56 -36.369 -3.566 7.409 1.00 20.00 C ATOM 1020 SD MET A 56 -36.444 -3.461 5.614 1.00 20.00 S ATOM 1021 CE MET A 56 -34.917 -4.284 5.172 1.00 20.00 C ATOM 0 H MET A 56 -38.060 -4.981 9.546 1.00 20.00 H new ATOM 0 HA MET A 56 -36.544 -2.539 9.901 1.00 20.00 H new ATOM 0 HB2 MET A 56 -38.476 -3.495 7.769 1.00 20.00 H new ATOM 0 HB3 MET A 56 -37.699 -1.924 7.738 1.00 20.00 H new ATOM 0 HG2 MET A 56 -35.469 -3.061 7.761 1.00 20.00 H new ATOM 0 HG3 MET A 56 -36.284 -4.612 7.705 1.00 20.00 H new ATOM 0 HE1 MET A 56 -34.567 -3.909 4.210 1.00 20.00 H new ATOM 0 HE2 MET A 56 -34.163 -4.086 5.934 1.00 20.00 H new ATOM 0 HE3 MET A 56 -35.090 -5.358 5.102 1.00 20.00 H new ATOM 1031 N ARG A 57 -39.254 -2.596 11.250 1.00 20.00 N ATOM 1032 CA ARG A 57 -40.219 -1.810 12.014 1.00 20.00 C ATOM 1033 C ARG A 57 -39.600 -0.471 12.389 1.00 20.00 C ATOM 1034 O ARG A 57 -40.247 0.575 12.330 1.00 20.00 O ATOM 1035 CB ARG A 57 -40.620 -2.551 13.292 1.00 20.00 C ATOM 1036 CG ARG A 57 -41.799 -1.926 14.019 1.00 20.00 C ATOM 1037 CD ARG A 57 -41.886 -2.407 15.459 1.00 20.00 C ATOM 1038 NE ARG A 57 -41.873 -3.865 15.564 1.00 20.00 N ATOM 1039 CZ ARG A 57 -41.484 -4.530 16.652 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -41.094 -3.866 17.738 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -41.492 -5.857 16.657 1.00 20.00 N ATOM 0 H ARG A 57 -39.128 -3.549 11.590 1.00 20.00 H new ATOM 0 HA ARG A 57 -41.106 -1.653 11.400 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -40.866 -3.583 13.041 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -39.764 -2.582 13.966 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -41.704 -0.840 14.002 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -42.723 -2.173 13.496 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -41.050 -1.998 16.027 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -42.799 -2.021 15.913 1.00 20.00 H new ATOM 0 HE ARG A 57 -42.180 -4.406 14.756 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -41.092 -2.846 17.739 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -40.797 -4.377 18.569 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -41.796 -6.368 15.828 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -41.194 -6.366 17.489 1.00 20.00 H new