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= -0.0357 K(o=-0.036,f=-4.2!) USER MOD Single : A 19 ASN : amide:sc= -0.0471 X(o=-0.047,f=0) USER MOD Single : A 20 SER OG : rot 78:sc= 0.138 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0079) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.09) USER MOD Single : A 56 MET CE :methyl -162:sc= -0.148 (180deg=-0.589) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -28.628 1.295 3.325 1.00 20.00 N ATOM 365 CA GLU A 16 -29.442 0.375 2.544 1.00 20.00 C ATOM 366 C GLU A 16 -28.581 -0.761 1.999 1.00 20.00 C ATOM 367 O GLU A 16 -29.038 -1.897 1.871 1.00 20.00 O ATOM 368 CB GLU A 16 -30.144 1.123 1.408 1.00 20.00 C ATOM 369 CG GLU A 16 -31.103 0.261 0.602 1.00 20.00 C ATOM 370 CD GLU A 16 -31.960 1.080 -0.335 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.450 1.521 -1.384 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.152 1.289 -0.024 1.00 20.00 O ATOM 0 HA GLU A 16 -30.206 -0.057 3.191 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.693 1.966 1.827 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -29.390 1.535 0.737 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.535 -0.470 0.026 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.745 -0.299 1.283 1.00 20.00 H new ATOM 379 N GLN A 17 -27.320 -0.447 1.712 1.00 20.00 N ATOM 380 CA GLN A 17 -26.359 -1.448 1.262 1.00 20.00 C ATOM 381 C GLN A 17 -26.148 -2.506 2.340 1.00 20.00 C ATOM 382 O GLN A 17 -25.836 -3.655 2.040 1.00 20.00 O ATOM 383 CB GLN A 17 -25.009 -0.808 0.910 1.00 20.00 C ATOM 384 CG GLN A 17 -25.020 0.093 -0.320 1.00 20.00 C ATOM 385 CD GLN A 17 -25.815 1.370 -0.127 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.942 1.875 0.987 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.342 1.907 -1.215 1.00 20.00 N ATOM 0 H GLN A 17 -26.940 0.497 1.784 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.768 -1.915 0.366 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -24.667 -0.225 1.765 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -24.278 -1.602 0.753 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -23.994 0.349 -0.582 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.435 -0.460 -1.162 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.213 1.456 -2.120 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -26.877 2.773 -1.148 1.00 20.00 H new ATOM 396 N GLU A 18 -26.323 -2.103 3.593 1.00 20.00 N ATOM 397 CA GLU A 18 -26.179 -3.012 4.723 1.00 20.00 C ATOM 398 C GLU A 18 -27.438 -3.849 4.886 1.00 20.00 C ATOM 399 O GLU A 18 -27.367 -5.059 5.105 1.00 20.00 O ATOM 400 CB GLU A 18 -25.899 -2.227 6.009 1.00 20.00 C ATOM 401 CG GLU A 18 -25.915 -3.085 7.264 1.00 20.00 C ATOM 402 CD GLU A 18 -25.708 -2.275 8.522 1.00 20.00 C ATOM 403 OE1 GLU A 18 -26.688 -1.689 9.025 1.00 20.00 O ATOM 404 OE2 GLU A 18 -24.567 -2.227 9.021 1.00 20.00 O ATOM 0 H GLU A 18 -26.566 -1.147 3.853 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.336 -3.675 4.529 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -24.927 -1.742 5.924 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.642 -1.436 6.111 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.867 -3.612 7.328 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.135 -3.843 7.192 1.00 20.00 H new ATOM 411 N ASN A 19 -28.589 -3.196 4.765 1.00 20.00 N ATOM 412 CA ASN A 19 -29.875 -3.877 4.879 1.00 20.00 C ATOM 413 C ASN A 19 -29.966 -5.020 3.873 1.00 20.00 C ATOM 414 O ASN A 19 -30.352 -6.136 4.219 1.00 20.00 O ATOM 415 CB ASN A 19 -31.027 -2.887 4.666 1.00 20.00 C ATOM 416 CG ASN A 19 -32.392 -3.553 4.708 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.992 -3.696 5.775 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.897 -3.954 3.550 1.00 20.00 N ATOM 0 H ASN A 19 -28.658 -2.194 4.588 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.956 -4.293 5.883 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.982 -2.114 5.433 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.900 -2.390 3.704 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.814 -4.399 3.520 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.368 -3.817 2.688 1.00 20.00 H new ATOM 425 N SER A 20 -29.571 -4.744 2.638 1.00 20.00 N ATOM 426 CA SER A 20 -29.636 -5.738 1.577 1.00 20.00 C ATOM 427 C SER A 20 -28.438 -6.689 1.635 1.00 20.00 C ATOM 428 O SER A 20 -28.436 -7.746 1.001 1.00 20.00 O ATOM 429 CB SER A 20 -29.692 -5.032 0.221 1.00 20.00 C ATOM 430 OG SER A 20 -30.681 -4.014 0.225 1.00 20.00 O ATOM 0 H SER A 20 -29.202 -3.839 2.346 1.00 20.00 H new ATOM 0 HA SER A 20 -30.538 -6.335 1.713 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.719 -4.599 -0.009 1.00 20.00 H new ATOM 0 HB3 SER A 20 -29.912 -5.757 -0.563 1.00 20.00 H new ATOM 0 HG SER A 20 -30.339 -3.228 0.700 1.00 20.00 H new ATOM 436 N TYR A 21 -27.428 -6.327 2.423 1.00 20.00 N ATOM 437 CA TYR A 21 -26.202 -7.114 2.503 1.00 20.00 C ATOM 438 C TYR A 21 -26.432 -8.401 3.282 1.00 20.00 C ATOM 439 O TYR A 21 -25.630 -9.331 3.207 1.00 20.00 O ATOM 440 CB TYR A 21 -25.070 -6.312 3.148 1.00 20.00 C ATOM 441 CG TYR A 21 -23.703 -6.930 2.945 1.00 20.00 C ATOM 442 CD1 TYR A 21 -23.092 -6.898 1.697 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.030 -7.552 3.989 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.851 -7.466 1.496 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.787 -8.124 3.793 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.202 -8.080 2.545 1.00 20.00 C ATOM 447 OH TYR A 21 -19.963 -8.650 2.346 1.00 20.00 O ATOM 0 H TYR A 21 -27.435 -5.495 3.014 1.00 20.00 H new ATOM 0 HA TYR A 21 -25.910 -7.367 1.484 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -25.069 -5.303 2.736 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.264 -6.220 4.217 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -23.597 -6.420 0.871 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.485 -7.589 4.968 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -21.390 -7.430 0.520 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.276 -8.604 4.614 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.643 -9.040 3.186 1.00 20.00 H new ATOM 457 N ASN A 22 -27.525 -8.448 4.038 1.00 20.00 N ATOM 458 CA ASN A 22 -27.881 -9.650 4.789 1.00 20.00 C ATOM 459 C ASN A 22 -27.948 -10.861 3.868 1.00 20.00 C ATOM 460 O ASN A 22 -27.628 -11.975 4.275 1.00 20.00 O ATOM 461 CB ASN A 22 -29.212 -9.480 5.527 1.00 20.00 C ATOM 462 CG ASN A 22 -29.099 -8.571 6.736 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.730 -9.013 7.826 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.442 -7.304 6.566 1.00 20.00 N ATOM 0 H ASN A 22 -28.178 -7.672 4.147 1.00 20.00 H new ATOM 0 HA ASN A 22 -27.100 -9.811 5.532 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.954 -9.074 4.840 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.574 -10.458 5.845 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.406 -6.656 7.353 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.742 -6.976 5.648 1.00 20.00 H new ATOM 471 N GLU A 23 -28.333 -10.630 2.617 1.00 20.00 N ATOM 472 CA GLU A 23 -28.401 -11.695 1.627 1.00 20.00 C ATOM 473 C GLU A 23 -27.012 -12.259 1.331 1.00 20.00 C ATOM 474 O GLU A 23 -26.856 -13.459 1.107 1.00 20.00 O ATOM 475 CB GLU A 23 -29.047 -11.192 0.338 1.00 20.00 C ATOM 476 CG GLU A 23 -30.522 -10.864 0.487 1.00 20.00 C ATOM 477 CD GLU A 23 -31.159 -10.462 -0.822 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.385 -11.346 -1.674 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.424 -9.259 -1.016 1.00 20.00 O ATOM 0 H GLU A 23 -28.603 -9.711 2.266 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.016 -12.494 2.040 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.517 -10.302 -0.001 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.928 -11.948 -0.438 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -31.045 -11.731 0.891 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.640 -10.056 1.209 1.00 20.00 H new ATOM 486 N TRP A 24 -26.008 -11.393 1.338 1.00 20.00 N ATOM 487 CA TRP A 24 -24.631 -11.825 1.128 1.00 20.00 C ATOM 488 C TRP A 24 -24.088 -12.493 2.383 1.00 20.00 C ATOM 489 O TRP A 24 -23.259 -13.397 2.309 1.00 20.00 O ATOM 490 CB TRP A 24 -23.736 -10.649 0.729 1.00 20.00 C ATOM 491 CG TRP A 24 -24.050 -10.101 -0.626 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.820 -9.012 -0.911 1.00 20.00 C ATOM 493 CD2 TRP A 24 -23.605 -10.621 -1.884 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.876 -8.818 -2.268 1.00 20.00 N ATOM 495 CE2 TRP A 24 -24.139 -9.792 -2.889 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.804 -11.704 -2.260 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -23.900 -10.015 -4.242 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.567 -11.924 -3.603 1.00 20.00 C ATOM 499 CH2 TRP A 24 -23.113 -11.082 -4.581 1.00 20.00 C ATOM 0 H TRP A 24 -26.119 -10.390 1.486 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.628 -12.547 0.311 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.841 -9.855 1.468 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.695 -10.970 0.751 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -25.313 -8.393 -0.176 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -25.384 -8.069 -2.739 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.378 -12.357 -1.513 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -24.321 -9.369 -4.998 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.951 -12.758 -3.904 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.909 -11.279 -5.623 1.00 20.00 H new ATOM 510 N LEU A 25 -24.572 -12.047 3.538 1.00 20.00 N ATOM 511 CA LEU A 25 -24.200 -12.654 4.810 1.00 20.00 C ATOM 512 C LEU A 25 -24.716 -14.086 4.874 1.00 20.00 C ATOM 513 O LEU A 25 -24.043 -14.978 5.392 1.00 20.00 O ATOM 514 CB LEU A 25 -24.747 -11.839 5.987 1.00 20.00 C ATOM 515 CG LEU A 25 -24.135 -10.444 6.162 1.00 20.00 C ATOM 516 CD1 LEU A 25 -24.819 -9.697 7.296 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.637 -10.540 6.425 1.00 20.00 C ATOM 0 H LEU A 25 -25.223 -11.266 3.619 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.112 -12.663 4.882 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.825 -11.731 5.863 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.587 -12.405 6.905 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.289 -9.890 5.236 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -24.370 -8.710 7.404 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -25.881 -9.591 7.073 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -24.697 -10.254 8.225 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.224 -9.539 6.546 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.463 -11.116 7.334 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -22.151 -11.034 5.584 1.00 20.00 H new ATOM 529 N ARG A 26 -25.903 -14.299 4.316 1.00 20.00 N ATOM 530 CA ARG A 26 -26.502 -15.628 4.253 1.00 20.00 C ATOM 531 C ARG A 26 -25.651 -16.561 3.397 1.00 20.00 C ATOM 532 O ARG A 26 -25.529 -17.748 3.689 1.00 20.00 O ATOM 533 CB ARG A 26 -27.922 -15.550 3.682 1.00 20.00 C ATOM 534 CG ARG A 26 -28.893 -14.757 4.542 1.00 20.00 C ATOM 535 CD ARG A 26 -29.151 -15.440 5.877 1.00 20.00 C ATOM 536 NE ARG A 26 -29.819 -16.729 5.710 1.00 20.00 N ATOM 537 CZ ARG A 26 -29.694 -17.754 6.553 1.00 20.00 C ATOM 538 NH1 ARG A 26 -28.899 -17.660 7.612 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.368 -18.874 6.331 1.00 20.00 N ATOM 0 H ARG A 26 -26.473 -13.563 3.898 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.550 -16.026 5.266 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.879 -15.099 2.691 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.308 -16.562 3.556 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.493 -13.758 4.716 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.835 -14.634 4.008 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -28.205 -15.586 6.399 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.764 -14.792 6.504 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.420 -16.852 4.895 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.379 -16.800 7.785 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -28.808 -18.448 8.253 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.979 -18.949 5.518 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -30.275 -19.661 6.973 1.00 20.00 H new ATOM 553 N ALA A 27 -25.051 -16.011 2.349 1.00 20.00 N ATOM 554 CA ALA A 27 -24.227 -16.795 1.440 1.00 20.00 C ATOM 555 C ALA A 27 -22.830 -17.015 2.011 1.00 20.00 C ATOM 556 O ALA A 27 -22.134 -17.960 1.637 1.00 20.00 O ATOM 557 CB ALA A 27 -24.141 -16.106 0.089 1.00 20.00 C ATOM 0 H ALA A 27 -25.120 -15.022 2.108 1.00 20.00 H new ATOM 0 HA ALA A 27 -24.695 -17.771 1.314 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.523 -16.700 -0.584 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.141 -16.005 -0.332 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.697 -15.118 0.212 1.00 20.00 H new ATOM 563 N LYS A 28 -22.440 -16.155 2.943 1.00 20.00 N ATOM 564 CA LYS A 28 -21.097 -16.187 3.516 1.00 20.00 C ATOM 565 C LYS A 28 -20.908 -17.402 4.427 1.00 20.00 C ATOM 566 O LYS A 28 -19.780 -17.756 4.776 1.00 20.00 O ATOM 567 CB LYS A 28 -20.823 -14.885 4.288 1.00 20.00 C ATOM 568 CG LYS A 28 -19.434 -14.800 4.917 1.00 20.00 C ATOM 569 CD LYS A 28 -18.326 -14.862 3.869 1.00 20.00 C ATOM 570 CE LYS A 28 -18.425 -13.720 2.864 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.361 -13.799 1.831 1.00 20.00 N ATOM 0 H LYS A 28 -23.038 -15.421 3.322 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.381 -16.273 2.699 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.953 -14.042 3.610 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.571 -14.780 5.074 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.348 -13.871 5.481 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.307 -15.617 5.627 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -17.356 -14.825 4.365 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.379 -15.814 3.342 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.402 -13.744 2.382 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.352 -12.767 3.388 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.463 -13.005 1.167 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.428 -13.750 2.289 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.446 -14.697 1.313 1.00 20.00 H new ATOM 585 N VAL A 29 -22.010 -18.051 4.794 1.00 20.00 N ATOM 586 CA VAL A 29 -21.950 -19.219 5.666 1.00 20.00 C ATOM 587 C VAL A 29 -21.045 -20.305 5.076 1.00 20.00 C ATOM 588 O VAL A 29 -20.275 -20.942 5.800 1.00 20.00 O ATOM 589 CB VAL A 29 -23.359 -19.797 5.951 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.011 -20.336 4.685 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.290 -20.872 7.024 1.00 20.00 C ATOM 0 H VAL A 29 -22.951 -17.789 4.502 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.524 -18.886 6.612 1.00 20.00 H new ATOM 0 HB VAL A 29 -23.983 -18.982 6.318 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.997 -20.733 4.924 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.111 -19.532 3.956 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -23.392 -21.130 4.267 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.289 -21.265 7.210 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.639 -21.679 6.689 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.892 -20.443 7.944 1.00 20.00 H new ATOM 772 N HIS A 42 -6.014 -37.951 9.795 1.00 20.00 N ATOM 773 CA HIS A 42 -4.991 -37.096 10.395 1.00 20.00 C ATOM 774 C HIS A 42 -3.753 -36.992 9.514 1.00 20.00 C ATOM 775 O HIS A 42 -2.932 -36.098 9.696 1.00 20.00 O ATOM 776 CB HIS A 42 -4.607 -37.603 11.789 1.00 20.00 C ATOM 777 CG HIS A 42 -5.697 -37.434 12.806 1.00 20.00 C ATOM 778 ND1 HIS A 42 -5.869 -36.284 13.543 1.00 20.00 N ATOM 779 CD2 HIS A 42 -6.680 -38.278 13.198 1.00 20.00 C ATOM 780 CE1 HIS A 42 -6.908 -36.426 14.343 1.00 20.00 C ATOM 781 NE2 HIS A 42 -7.419 -37.627 14.154 1.00 20.00 N ATOM 0 HA HIS A 42 -5.419 -36.098 10.488 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -4.342 -38.658 11.723 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -3.718 -37.072 12.129 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -6.851 -39.278 12.827 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -7.278 -35.684 15.036 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -8.231 -38.010 14.639 1.00 20.00 H new ATOM 790 N ASP A 43 -3.626 -37.905 8.557 1.00 20.00 N ATOM 791 CA ASP A 43 -2.535 -37.851 7.587 1.00 20.00 C ATOM 792 C ASP A 43 -2.684 -36.626 6.689 1.00 20.00 C ATOM 793 O ASP A 43 -1.699 -35.967 6.350 1.00 20.00 O ATOM 794 CB ASP A 43 -2.493 -39.129 6.743 1.00 20.00 C ATOM 795 CG ASP A 43 -1.456 -39.067 5.637 1.00 20.00 C ATOM 796 OD1 ASP A 43 -0.252 -39.208 5.927 1.00 20.00 O ATOM 797 OD2 ASP A 43 -1.841 -38.875 4.466 1.00 20.00 O ATOM 0 H ASP A 43 -4.264 -38.691 8.431 1.00 20.00 H new ATOM 0 HA ASP A 43 -1.595 -37.772 8.134 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -2.278 -39.980 7.390 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -3.476 -39.302 6.305 1.00 20.00 H new ATOM 802 N GLU A 44 -3.927 -36.313 6.334 1.00 20.00 N ATOM 803 CA GLU A 44 -4.222 -35.146 5.509 1.00 20.00 C ATOM 804 C GLU A 44 -3.948 -33.873 6.292 1.00 20.00 C ATOM 805 O GLU A 44 -3.346 -32.929 5.781 1.00 20.00 O ATOM 806 CB GLU A 44 -5.685 -35.157 5.050 1.00 20.00 C ATOM 807 CG GLU A 44 -6.026 -36.273 4.075 1.00 20.00 C ATOM 808 CD GLU A 44 -5.284 -36.148 2.762 1.00 20.00 C ATOM 809 OE1 GLU A 44 -5.698 -35.331 1.915 1.00 20.00 O ATOM 810 OE2 GLU A 44 -4.282 -36.866 2.569 1.00 20.00 O ATOM 0 H GLU A 44 -4.748 -36.853 6.606 1.00 20.00 H new ATOM 0 HA GLU A 44 -3.579 -35.181 4.630 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -6.328 -35.246 5.926 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -5.914 -34.199 4.583 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -5.789 -37.234 4.532 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -7.099 -36.267 3.883 1.00 20.00 H new ATOM 817 N VAL A 45 -4.381 -33.870 7.544 1.00 20.00 N ATOM 818 CA VAL A 45 -4.202 -32.721 8.421 1.00 20.00 C ATOM 819 C VAL A 45 -2.721 -32.484 8.697 1.00 20.00 C ATOM 820 O VAL A 45 -2.246 -31.347 8.667 1.00 20.00 O ATOM 821 CB VAL A 45 -4.950 -32.914 9.758 1.00 20.00 C ATOM 822 CG1 VAL A 45 -4.820 -31.682 10.641 1.00 20.00 C ATOM 823 CG2 VAL A 45 -6.415 -33.242 9.508 1.00 20.00 C ATOM 0 H VAL A 45 -4.863 -34.657 7.979 1.00 20.00 H new ATOM 0 HA VAL A 45 -4.619 -31.852 7.912 1.00 20.00 H new ATOM 0 HB VAL A 45 -4.492 -33.753 10.282 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -5.356 -31.846 11.576 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -3.767 -31.497 10.854 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -5.243 -30.819 10.126 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -6.926 -33.375 10.462 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -6.882 -32.426 8.957 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -6.488 -34.161 8.926 1.00 20.00 H new ATOM 833 N GLU A 46 -1.995 -33.567 8.944 1.00 20.00 N ATOM 834 CA GLU A 46 -0.568 -33.485 9.228 1.00 20.00 C ATOM 835 C GLU A 46 0.182 -32.888 8.040 1.00 20.00 C ATOM 836 O GLU A 46 1.064 -32.043 8.214 1.00 20.00 O ATOM 837 CB GLU A 46 0.000 -34.867 9.570 1.00 20.00 C ATOM 838 CG GLU A 46 1.361 -34.817 10.246 1.00 20.00 C ATOM 839 CD GLU A 46 1.311 -34.131 11.597 1.00 20.00 C ATOM 840 OE1 GLU A 46 1.059 -34.818 12.609 1.00 20.00 O ATOM 841 OE2 GLU A 46 1.532 -32.904 11.656 1.00 20.00 O ATOM 0 H GLU A 46 -2.372 -34.515 8.953 1.00 20.00 H new ATOM 0 HA GLU A 46 -0.433 -32.833 10.091 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -0.701 -35.387 10.222 1.00 20.00 H new ATOM 0 HB3 GLU A 46 0.080 -35.454 8.655 1.00 20.00 H new ATOM 0 HG2 GLU A 46 1.739 -35.832 10.371 1.00 20.00 H new ATOM 0 HG3 GLU A 46 2.065 -34.292 9.601 1.00 20.00 H new ATOM 848 N ARG A 47 -0.175 -33.315 6.828 1.00 20.00 N ATOM 849 CA ARG A 47 0.436 -32.756 5.628 1.00 20.00 C ATOM 850 C ARG A 47 0.029 -31.300 5.463 1.00 20.00 C ATOM 851 O ARG A 47 0.853 -30.454 5.114 1.00 20.00 O ATOM 852 CB ARG A 47 0.049 -33.535 4.365 1.00 20.00 C ATOM 853 CG ARG A 47 0.604 -32.898 3.096 1.00 20.00 C ATOM 854 CD ARG A 47 0.198 -33.635 1.831 1.00 20.00 C ATOM 855 NE ARG A 47 0.713 -32.954 0.641 1.00 20.00 N ATOM 856 CZ ARG A 47 0.816 -33.506 -0.566 1.00 20.00 C ATOM 857 NH1 ARG A 47 0.406 -34.748 -0.782 1.00 20.00 N ATOM 858 NH2 ARG A 47 1.332 -32.803 -1.565 1.00 20.00 N ATOM 0 H ARG A 47 -0.875 -34.037 6.655 1.00 20.00 H new ATOM 0 HA ARG A 47 1.516 -32.832 5.753 1.00 20.00 H new ATOM 0 HB2 ARG A 47 0.417 -34.558 4.445 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -1.037 -33.591 4.295 1.00 20.00 H new ATOM 0 HG2 ARG A 47 0.259 -31.866 3.034 1.00 20.00 H new ATOM 0 HG3 ARG A 47 1.692 -32.867 3.158 1.00 20.00 H new ATOM 0 HD2 ARG A 47 0.577 -34.656 1.863 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -0.889 -33.700 1.776 1.00 20.00 H new ATOM 0 HE ARG A 47 1.015 -31.985 0.745 1.00 20.00 H new ATOM 0 HH11 ARG A 47 0.006 -35.293 -0.018 1.00 20.00 H new ATOM 0 HH12 ARG A 47 0.491 -35.159 -1.712 1.00 20.00 H new ATOM 0 HH21 ARG A 47 1.647 -31.846 -1.406 1.00 20.00 H new ATOM 0 HH22 ARG A 47 1.414 -33.219 -2.493 1.00 20.00 H new ATOM 872 N ARG A 48 -1.243 -31.017 5.727 1.00 20.00 N ATOM 873 CA ARG A 48 -1.770 -29.667 5.591 1.00 20.00 C ATOM 874 C ARG A 48 -0.943 -28.697 6.418 1.00 20.00 C ATOM 875 O ARG A 48 -0.552 -27.637 5.940 1.00 20.00 O ATOM 876 CB ARG A 48 -3.234 -29.601 6.041 1.00 20.00 C ATOM 877 CG ARG A 48 -3.949 -28.326 5.605 1.00 20.00 C ATOM 878 CD ARG A 48 -4.489 -28.439 4.182 1.00 20.00 C ATOM 879 NE ARG A 48 -3.509 -29.002 3.252 1.00 20.00 N ATOM 880 CZ ARG A 48 -3.662 -30.171 2.627 1.00 20.00 C ATOM 881 NH1 ARG A 48 -4.778 -30.873 2.783 1.00 20.00 N ATOM 882 NH2 ARG A 48 -2.698 -30.644 1.847 1.00 20.00 N ATOM 0 H ARG A 48 -1.927 -31.707 6.037 1.00 20.00 H new ATOM 0 HA ARG A 48 -1.715 -29.389 4.538 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -3.768 -30.463 5.640 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -3.275 -29.678 7.128 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -4.771 -28.117 6.290 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -3.260 -27.483 5.667 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -5.382 -29.063 4.185 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -4.791 -27.452 3.832 1.00 20.00 H new ATOM 0 HE ARG A 48 -2.658 -28.469 3.071 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -5.523 -30.519 3.383 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -4.890 -31.766 2.303 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -1.836 -30.113 1.723 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -2.819 -31.538 1.371 1.00 20.00 H new ATOM 896 N MET A 49 -0.661 -29.085 7.654 1.00 20.00 N ATOM 897 CA MET A 49 0.109 -28.252 8.566 1.00 20.00 C ATOM 898 C MET A 49 1.543 -28.084 8.081 1.00 20.00 C ATOM 899 O MET A 49 2.108 -26.999 8.164 1.00 20.00 O ATOM 900 CB MET A 49 0.100 -28.852 9.966 1.00 20.00 C ATOM 901 CG MET A 49 -1.291 -28.949 10.561 1.00 20.00 C ATOM 902 SD MET A 49 -2.087 -27.343 10.745 1.00 20.00 S ATOM 903 CE MET A 49 -3.692 -27.849 11.357 1.00 20.00 C ATOM 0 H MET A 49 -0.956 -29.977 8.050 1.00 20.00 H new ATOM 0 HA MET A 49 -0.359 -27.268 8.596 1.00 20.00 H new ATOM 0 HB2 MET A 49 0.544 -29.847 9.932 1.00 20.00 H new ATOM 0 HB3 MET A 49 0.727 -28.245 10.619 1.00 20.00 H new ATOM 0 HG2 MET A 49 -1.909 -29.585 9.927 1.00 20.00 H new ATOM 0 HG3 MET A 49 -1.231 -29.433 11.536 1.00 20.00 H new ATOM 0 HE1 MET A 49 -4.312 -26.968 11.524 1.00 20.00 H new ATOM 0 HE2 MET A 49 -4.173 -28.497 10.625 1.00 20.00 H new ATOM 0 HE3 MET A 49 -3.570 -28.390 12.295 1.00 20.00 H new ATOM 913 N ALA A 50 2.120 -29.157 7.553 1.00 20.00 N ATOM 914 CA ALA A 50 3.492 -29.125 7.066 1.00 20.00 C ATOM 915 C ALA A 50 3.636 -28.133 5.918 1.00 20.00 C ATOM 916 O ALA A 50 4.610 -27.380 5.845 1.00 20.00 O ATOM 917 CB ALA A 50 3.930 -30.511 6.625 1.00 20.00 C ATOM 0 H ALA A 50 1.658 -30.061 7.452 1.00 20.00 H new ATOM 0 HA ALA A 50 4.136 -28.799 7.883 1.00 20.00 H new ATOM 0 HB1 ALA A 50 4.958 -30.470 6.264 1.00 20.00 H new ATOM 0 HB2 ALA A 50 3.869 -31.198 7.469 1.00 20.00 H new ATOM 0 HB3 ALA A 50 3.278 -30.861 5.825 1.00 20.00 H new ATOM 923 N GLU A 51 2.645 -28.128 5.039 1.00 20.00 N ATOM 924 CA GLU A 51 2.631 -27.228 3.892 1.00 20.00 C ATOM 925 C GLU A 51 2.244 -25.815 4.331 1.00 20.00 C ATOM 926 O GLU A 51 2.663 -24.823 3.733 1.00 20.00 O ATOM 927 CB GLU A 51 1.639 -27.739 2.840 1.00 20.00 C ATOM 928 CG GLU A 51 1.931 -29.150 2.347 1.00 20.00 C ATOM 929 CD GLU A 51 0.893 -29.648 1.361 1.00 20.00 C ATOM 930 OE1 GLU A 51 -0.316 -29.506 1.639 1.00 20.00 O ATOM 931 OE2 GLU A 51 1.276 -30.201 0.307 1.00 20.00 O ATOM 0 H GLU A 51 1.833 -28.742 5.098 1.00 20.00 H new ATOM 0 HA GLU A 51 3.630 -27.198 3.457 1.00 20.00 H new ATOM 0 HB2 GLU A 51 0.634 -27.713 3.261 1.00 20.00 H new ATOM 0 HB3 GLU A 51 1.646 -27.059 1.988 1.00 20.00 H new ATOM 0 HG2 GLU A 51 2.914 -29.170 1.876 1.00 20.00 H new ATOM 0 HG3 GLU A 51 1.972 -29.828 3.200 1.00 20.00 H new ATOM 938 N ARG A 52 1.450 -25.751 5.390 1.00 20.00 N ATOM 939 CA ARG A 52 0.937 -24.494 5.922 1.00 20.00 C ATOM 940 C ARG A 52 2.011 -23.733 6.701 1.00 20.00 C ATOM 941 O ARG A 52 2.200 -22.531 6.496 1.00 20.00 O ATOM 942 CB ARG A 52 -0.273 -24.791 6.816 1.00 20.00 C ATOM 943 CG ARG A 52 -0.831 -23.599 7.570 1.00 20.00 C ATOM 944 CD ARG A 52 -2.039 -24.005 8.402 1.00 20.00 C ATOM 945 NE ARG A 52 -2.526 -22.919 9.252 1.00 20.00 N ATOM 946 CZ ARG A 52 -3.493 -23.062 10.158 1.00 20.00 C ATOM 947 NH1 ARG A 52 -4.109 -24.233 10.300 1.00 20.00 N ATOM 948 NH2 ARG A 52 -3.851 -22.034 10.917 1.00 20.00 N ATOM 0 H ARG A 52 1.141 -26.573 5.908 1.00 20.00 H new ATOM 0 HA ARG A 52 0.634 -23.857 5.091 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -1.066 -25.212 6.198 1.00 20.00 H new ATOM 0 HB3 ARG A 52 0.009 -25.557 7.538 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -0.061 -23.180 8.218 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -1.115 -22.817 6.865 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -2.840 -24.329 7.738 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -1.776 -24.860 9.025 1.00 20.00 H new ATOM 0 HE ARG A 52 -2.101 -21.998 9.145 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -3.841 -25.024 9.715 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -4.849 -24.339 10.994 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -3.386 -21.133 10.807 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -4.591 -22.145 11.610 1.00 20.00 H new ATOM 962 N PHE A 53 2.724 -24.436 7.575 1.00 20.00 N ATOM 963 CA PHE A 53 3.740 -23.812 8.418 1.00 20.00 C ATOM 964 C PHE A 53 4.964 -23.409 7.609 1.00 20.00 C ATOM 965 O PHE A 53 5.838 -22.702 8.103 1.00 20.00 O ATOM 966 CB PHE A 53 4.156 -24.748 9.556 1.00 20.00 C ATOM 967 CG PHE A 53 3.071 -25.002 10.568 1.00 20.00 C ATOM 968 CD1 PHE A 53 2.229 -23.977 10.982 1.00 20.00 C ATOM 969 CD2 PHE A 53 2.896 -26.264 11.113 1.00 20.00 C ATOM 970 CE1 PHE A 53 1.238 -24.210 11.915 1.00 20.00 C ATOM 971 CE2 PHE A 53 1.905 -26.501 12.046 1.00 20.00 C ATOM 972 CZ PHE A 53 1.075 -25.473 12.447 1.00 20.00 C ATOM 0 H PHE A 53 2.617 -25.440 7.719 1.00 20.00 H new ATOM 0 HA PHE A 53 3.297 -22.911 8.844 1.00 20.00 H new ATOM 0 HB2 PHE A 53 4.473 -25.701 9.132 1.00 20.00 H new ATOM 0 HB3 PHE A 53 5.021 -24.322 10.065 1.00 20.00 H new ATOM 0 HD1 PHE A 53 2.351 -22.986 10.569 1.00 20.00 H new ATOM 0 HD2 PHE A 53 3.542 -27.072 10.805 1.00 20.00 H new ATOM 0 HE1 PHE A 53 0.591 -23.404 12.228 1.00 20.00 H new ATOM 0 HE2 PHE A 53 1.780 -27.490 12.462 1.00 20.00 H new ATOM 0 HZ PHE A 53 0.299 -25.657 13.176 1.00 20.00 H new ATOM 982 N ALA A 54 5.018 -23.850 6.361 1.00 20.00 N ATOM 983 CA ALA A 54 6.107 -23.482 5.468 1.00 20.00 C ATOM 984 C ALA A 54 6.149 -21.970 5.260 1.00 20.00 C ATOM 985 O ALA A 54 7.207 -21.400 4.984 1.00 20.00 O ATOM 986 CB ALA A 54 5.960 -24.199 4.138 1.00 20.00 C ATOM 0 H ALA A 54 4.319 -24.464 5.943 1.00 20.00 H new ATOM 0 HA ALA A 54 7.047 -23.787 5.927 1.00 20.00 H new ATOM 0 HB1 ALA A 54 6.781 -23.915 3.479 1.00 20.00 H new ATOM 0 HB2 ALA A 54 5.982 -25.276 4.301 1.00 20.00 H new ATOM 0 HB3 ALA A 54 5.012 -23.921 3.677 1.00 20.00 H new ATOM 992 N LYS A 55 4.993 -21.323 5.417 1.00 20.00 N ATOM 993 CA LYS A 55 4.891 -19.876 5.253 1.00 20.00 C ATOM 994 C LYS A 55 5.640 -19.142 6.362 1.00 20.00 C ATOM 995 O LYS A 55 5.973 -17.965 6.223 1.00 20.00 O ATOM 996 CB LYS A 55 3.428 -19.426 5.256 1.00 20.00 C ATOM 997 CG LYS A 55 2.543 -20.152 4.250 1.00 20.00 C ATOM 998 CD LYS A 55 1.189 -19.474 4.109 1.00 20.00 C ATOM 999 CE LYS A 55 0.474 -19.347 5.447 1.00 20.00 C ATOM 1000 NZ LYS A 55 0.195 -20.668 6.062 1.00 20.00 N ATOM 0 H LYS A 55 4.114 -21.781 5.658 1.00 20.00 H new ATOM 0 HA LYS A 55 5.343 -19.629 4.292 1.00 20.00 H new ATOM 0 HB2 LYS A 55 3.018 -19.573 6.255 1.00 20.00 H new ATOM 0 HB3 LYS A 55 3.389 -18.356 5.050 1.00 20.00 H new ATOM 0 HG2 LYS A 55 3.040 -20.180 3.280 1.00 20.00 H new ATOM 0 HG3 LYS A 55 2.403 -21.186 4.566 1.00 20.00 H new ATOM 0 HD2 LYS A 55 1.323 -18.484 3.674 1.00 20.00 H new ATOM 0 HD3 LYS A 55 0.568 -20.044 3.418 1.00 20.00 H new ATOM 0 HE2 LYS A 55 1.084 -18.753 6.128 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -0.463 -18.809 5.306 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -0.322 -20.533 6.954 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -0.380 -21.239 5.411 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 1.092 -21.159 6.253 1.00 20.00 H new ATOM 1014 N MET A 56 5.894 -19.842 7.462 1.00 20.00 N ATOM 1015 CA MET A 56 6.613 -19.267 8.594 1.00 20.00 C ATOM 1016 C MET A 56 8.062 -18.999 8.205 1.00 20.00 C ATOM 1017 O MET A 56 8.695 -18.068 8.704 1.00 20.00 O ATOM 1018 CB MET A 56 6.554 -20.214 9.799 1.00 20.00 C ATOM 1019 CG MET A 56 7.195 -19.660 11.061 1.00 20.00 C ATOM 1020 SD MET A 56 7.254 -20.870 12.401 1.00 20.00 S ATOM 1021 CE MET A 56 5.521 -21.303 12.553 1.00 20.00 C ATOM 0 H MET A 56 5.611 -20.813 7.594 1.00 20.00 H new ATOM 0 HA MET A 56 6.140 -18.325 8.871 1.00 20.00 H new ATOM 0 HB2 MET A 56 5.511 -20.451 10.009 1.00 20.00 H new ATOM 0 HB3 MET A 56 7.047 -21.150 9.536 1.00 20.00 H new ATOM 0 HG2 MET A 56 8.207 -19.326 10.833 1.00 20.00 H new ATOM 0 HG3 MET A 56 6.638 -18.784 11.392 1.00 20.00 H new ATOM 0 HE1 MET A 56 5.348 -21.779 13.518 1.00 20.00 H new ATOM 0 HE2 MET A 56 4.913 -20.402 12.478 1.00 20.00 H new ATOM 0 HE3 MET A 56 5.247 -21.993 11.755 1.00 20.00 H new ATOM 1031 N ARG A 57 8.573 -19.820 7.299 1.00 20.00 N ATOM 1032 CA ARG A 57 9.922 -19.652 6.791 1.00 20.00 C ATOM 1033 C ARG A 57 9.891 -18.885 5.474 1.00 20.00 C ATOM 1034 O ARG A 57 10.462 -17.796 5.364 1.00 20.00 O ATOM 1035 CB ARG A 57 10.595 -21.013 6.603 1.00 20.00 C ATOM 1036 CG ARG A 57 10.791 -21.778 7.900 1.00 20.00 C ATOM 1037 CD ARG A 57 11.308 -23.183 7.641 1.00 20.00 C ATOM 1038 NE ARG A 57 12.605 -23.179 6.964 1.00 20.00 N ATOM 1039 CZ ARG A 57 12.896 -23.931 5.899 1.00 20.00 C ATOM 1040 NH1 ARG A 57 11.970 -24.717 5.361 1.00 20.00 N ATOM 1041 NH2 ARG A 57 14.112 -23.887 5.368 1.00 20.00 N ATOM 0 H ARG A 57 8.069 -20.612 6.900 1.00 20.00 H new ATOM 0 HA ARG A 57 10.502 -19.081 7.516 1.00 20.00 H new ATOM 0 HB2 ARG A 57 9.993 -21.616 5.923 1.00 20.00 H new ATOM 0 HB3 ARG A 57 11.565 -20.867 6.127 1.00 20.00 H new ATOM 0 HG2 ARG A 57 11.494 -21.242 8.538 1.00 20.00 H new ATOM 0 HG3 ARG A 57 9.846 -21.830 8.440 1.00 20.00 H new ATOM 0 HD2 ARG A 57 11.396 -23.716 8.588 1.00 20.00 H new ATOM 0 HD3 ARG A 57 10.585 -23.728 7.034 1.00 20.00 H new ATOM 0 HE ARG A 57 13.332 -22.564 7.328 1.00 20.00 H new ATOM 0 HH11 ARG A 57 11.032 -24.748 5.761 1.00 20.00 H new ATOM 0 HH12 ARG A 57 12.197 -25.289 4.548 1.00 20.00 H new ATOM 0 HH21 ARG A 57 14.824 -23.279 5.773 1.00 20.00 H new ATOM 0 HH22 ARG A 57 14.334 -24.461 4.555 1.00 20.00 H new