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 Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 19 ASN : amide:sc=-0.00161 X(o=-0.0016,f=-0.0016) USER MOD Single : A 20 SER OG : rot 113:sc= 0.234 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00358 X(o=-0.0036,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc=-0.00593 (180deg=-0.109) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 170:sc= 0 (180deg=-0.115) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0.847 (180deg=0.144) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.338 0.467 3.391 1.00 20.00 N ATOM 365 CA GLU A 16 -31.486 -0.806 2.695 1.00 20.00 C ATOM 366 C GLU A 16 -30.192 -1.186 1.974 1.00 20.00 C ATOM 367 O GLU A 16 -29.842 -2.361 1.884 1.00 20.00 O ATOM 368 CB GLU A 16 -32.663 -0.759 1.706 1.00 20.00 C ATOM 369 CG GLU A 16 -32.431 0.090 0.460 1.00 20.00 C ATOM 370 CD GLU A 16 -32.215 1.559 0.758 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.208 2.275 0.989 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.046 2.000 0.760 1.00 20.00 O ATOM 0 HA GLU A 16 -31.699 -1.572 3.440 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.896 -1.777 1.394 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -33.540 -0.377 2.228 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -31.563 -0.295 -0.075 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -33.288 -0.015 -0.205 1.00 20.00 H new ATOM 379 N GLN A 17 -29.483 -0.175 1.482 1.00 20.00 N ATOM 380 CA GLN A 17 -28.206 -0.376 0.807 1.00 20.00 C ATOM 381 C GLN A 17 -27.185 -1.030 1.736 1.00 20.00 C ATOM 382 O GLN A 17 -26.362 -1.833 1.300 1.00 20.00 O ATOM 383 CB GLN A 17 -27.666 0.962 0.286 1.00 20.00 C ATOM 384 CG GLN A 17 -27.397 1.986 1.380 1.00 20.00 C ATOM 385 CD GLN A 17 -26.972 3.331 0.830 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.371 3.418 -0.240 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.285 4.393 1.553 1.00 20.00 N ATOM 0 H GLN A 17 -29.775 0.801 1.539 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.373 -1.047 -0.036 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.742 0.781 -0.264 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -28.381 1.380 -0.422 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.296 2.112 1.983 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.619 1.607 2.043 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -27.784 4.280 2.435 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -27.027 5.325 1.228 1.00 20.00 H new ATOM 396 N GLU A 18 -27.254 -0.697 3.018 1.00 20.00 N ATOM 397 CA GLU A 18 -26.324 -1.237 3.999 1.00 20.00 C ATOM 398 C GLU A 18 -26.800 -2.594 4.488 1.00 20.00 C ATOM 399 O GLU A 18 -25.998 -3.468 4.816 1.00 20.00 O ATOM 400 CB GLU A 18 -26.175 -0.277 5.182 1.00 20.00 C ATOM 401 CG GLU A 18 -25.523 1.045 4.815 1.00 20.00 C ATOM 402 CD GLU A 18 -24.109 0.871 4.305 1.00 20.00 C ATOM 403 OE1 GLU A 18 -23.930 0.654 3.090 1.00 20.00 O ATOM 404 OE2 GLU A 18 -23.167 0.942 5.120 1.00 20.00 O ATOM 0 H GLU A 18 -27.946 -0.054 3.403 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.352 -1.356 3.521 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.160 -0.081 5.606 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -25.583 -0.761 5.959 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.122 1.543 4.053 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.513 1.697 5.689 1.00 20.00 H new ATOM 411 N ASN A 19 -28.115 -2.765 4.508 1.00 20.00 N ATOM 412 CA ASN A 19 -28.735 -4.009 4.959 1.00 20.00 C ATOM 413 C ASN A 19 -28.444 -5.140 3.972 1.00 20.00 C ATOM 414 O ASN A 19 -28.602 -6.318 4.295 1.00 20.00 O ATOM 415 CB ASN A 19 -30.247 -3.816 5.130 1.00 20.00 C ATOM 416 CG ASN A 19 -30.921 -5.004 5.793 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.953 -5.106 7.020 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.486 -5.897 4.995 1.00 20.00 N ATOM 0 H ASN A 19 -28.781 -2.051 4.214 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.310 -4.281 5.925 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.429 -2.922 5.726 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.700 -3.646 4.153 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.968 -6.703 5.392 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.439 -5.779 3.983 1.00 20.00 H new ATOM 425 N SER A 20 -27.994 -4.764 2.776 1.00 20.00 N ATOM 426 CA SER A 20 -27.645 -5.719 1.725 1.00 20.00 C ATOM 427 C SER A 20 -26.571 -6.715 2.183 1.00 20.00 C ATOM 428 O SER A 20 -26.310 -7.712 1.508 1.00 20.00 O ATOM 429 CB SER A 20 -27.158 -4.967 0.485 1.00 20.00 C ATOM 430 OG SER A 20 -28.087 -3.967 0.102 1.00 20.00 O ATOM 0 H SER A 20 -27.861 -3.789 2.508 1.00 20.00 H new ATOM 0 HA SER A 20 -28.543 -6.290 1.487 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.190 -4.510 0.689 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.013 -5.668 -0.337 1.00 20.00 H new ATOM 0 HG SER A 20 -27.691 -3.082 0.243 1.00 20.00 H new ATOM 436 N TYR A 21 -25.941 -6.442 3.324 1.00 20.00 N ATOM 437 CA TYR A 21 -24.928 -7.339 3.869 1.00 20.00 C ATOM 438 C TYR A 21 -25.551 -8.685 4.236 1.00 20.00 C ATOM 439 O TYR A 21 -24.874 -9.709 4.240 1.00 20.00 O ATOM 440 CB TYR A 21 -24.243 -6.720 5.097 1.00 20.00 C ATOM 441 CG TYR A 21 -25.051 -6.789 6.382 1.00 20.00 C ATOM 442 CD1 TYR A 21 -26.065 -5.876 6.647 1.00 20.00 C ATOM 443 CD2 TYR A 21 -24.787 -7.765 7.338 1.00 20.00 C ATOM 444 CE1 TYR A 21 -26.791 -5.933 7.822 1.00 20.00 C ATOM 445 CE2 TYR A 21 -25.510 -7.830 8.512 1.00 20.00 C ATOM 446 CZ TYR A 21 -26.510 -6.912 8.750 1.00 20.00 C ATOM 447 OH TYR A 21 -27.224 -6.970 9.925 1.00 20.00 O ATOM 0 H TYR A 21 -26.114 -5.609 3.886 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.171 -7.497 3.101 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.290 -7.225 5.256 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.018 -5.675 4.882 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -26.290 -5.108 5.922 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.002 -8.485 7.158 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -27.574 -5.214 8.012 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -25.293 -8.597 9.241 1.00 20.00 H new ATOM 0 HH TYR A 21 -26.901 -7.720 10.467 1.00 20.00 H new ATOM 457 N ASN A 22 -26.851 -8.671 4.525 1.00 20.00 N ATOM 458 CA ASN A 22 -27.568 -9.886 4.901 1.00 20.00 C ATOM 459 C ASN A 22 -27.601 -10.863 3.732 1.00 20.00 C ATOM 460 O ASN A 22 -27.527 -12.078 3.917 1.00 20.00 O ATOM 461 CB ASN A 22 -28.996 -9.550 5.347 1.00 20.00 C ATOM 462 CG ASN A 22 -29.722 -10.745 5.946 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.646 -10.987 7.152 1.00 20.00 O ATOM 464 ND2 ASN A 22 -30.433 -11.495 5.118 1.00 20.00 N ATOM 0 H ASN A 22 -27.429 -7.831 4.506 1.00 20.00 H new ATOM 0 HA ASN A 22 -27.043 -10.352 5.735 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.963 -8.745 6.081 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.561 -9.178 4.492 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.942 -12.305 5.473 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.472 -11.263 4.126 1.00 20.00 H new ATOM 471 N GLU A 23 -27.688 -10.312 2.526 1.00 20.00 N ATOM 472 CA GLU A 23 -27.716 -11.114 1.309 1.00 20.00 C ATOM 473 C GLU A 23 -26.439 -11.937 1.182 1.00 20.00 C ATOM 474 O GLU A 23 -26.482 -13.144 0.944 1.00 20.00 O ATOM 475 CB GLU A 23 -27.891 -10.206 0.085 1.00 20.00 C ATOM 476 CG GLU A 23 -28.018 -10.960 -1.227 1.00 20.00 C ATOM 477 CD GLU A 23 -29.195 -11.911 -1.232 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.024 -13.077 -0.827 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.300 -11.504 -1.642 1.00 20.00 O ATOM 0 H GLU A 23 -27.741 -9.306 2.365 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.562 -11.800 1.362 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.779 -9.590 0.226 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.039 -9.529 0.023 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.127 -10.247 -2.044 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -27.101 -11.519 -1.412 1.00 20.00 H new ATOM 486 N TRP A 24 -25.302 -11.289 1.368 1.00 20.00 N ATOM 487 CA TRP A 24 -24.027 -11.969 1.240 1.00 20.00 C ATOM 488 C TRP A 24 -23.749 -12.810 2.479 1.00 20.00 C ATOM 489 O TRP A 24 -23.034 -13.809 2.418 1.00 20.00 O ATOM 490 CB TRP A 24 -22.902 -10.965 1.010 1.00 20.00 C ATOM 491 CG TRP A 24 -21.656 -11.602 0.479 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.446 -11.695 1.101 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.509 -12.252 -0.788 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.553 -12.354 0.291 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.183 -12.707 -0.872 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.373 -12.488 -1.862 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.700 -13.387 -1.985 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.892 -13.163 -2.966 1.00 20.00 C ATOM 499 CH2 TRP A 24 -20.566 -13.607 -3.020 1.00 20.00 C ATOM 0 H TRP A 24 -25.236 -10.299 1.607 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.074 -12.631 0.375 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.241 -10.201 0.310 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.675 -10.460 1.949 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.223 -11.308 2.084 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.578 -12.549 0.519 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.398 -12.148 -1.828 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.677 -13.729 -2.030 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.550 -13.351 -3.802 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -20.220 -14.134 -3.897 1.00 20.00 H new ATOM 510 N LEU A 25 -24.338 -12.411 3.598 1.00 20.00 N ATOM 511 CA LEU A 25 -24.176 -13.137 4.849 1.00 20.00 C ATOM 512 C LEU A 25 -24.766 -14.539 4.715 1.00 20.00 C ATOM 513 O LEU A 25 -24.115 -15.530 5.049 1.00 20.00 O ATOM 514 CB LEU A 25 -24.846 -12.367 5.994 1.00 20.00 C ATOM 515 CG LEU A 25 -24.277 -12.613 7.397 1.00 20.00 C ATOM 516 CD1 LEU A 25 -24.814 -11.574 8.365 1.00 20.00 C ATOM 517 CD2 LEU A 25 -24.613 -14.012 7.894 1.00 20.00 C ATOM 0 H LEU A 25 -24.934 -11.586 3.664 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.114 -13.231 5.077 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.776 -11.301 5.778 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.906 -12.621 6.004 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.192 -12.528 7.340 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -24.405 -11.757 9.359 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.522 -10.579 8.029 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -25.901 -11.640 8.403 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -24.195 -14.154 8.891 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -25.695 -14.134 7.933 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.189 -14.751 7.214 1.00 20.00 H new ATOM 529 N ARG A 26 -25.987 -14.626 4.189 1.00 20.00 N ATOM 530 CA ARG A 26 -26.642 -15.919 4.017 1.00 20.00 C ATOM 531 C ARG A 26 -26.004 -16.711 2.878 1.00 20.00 C ATOM 532 O ARG A 26 -26.263 -17.901 2.711 1.00 20.00 O ATOM 533 CB ARG A 26 -28.151 -15.757 3.788 1.00 20.00 C ATOM 534 CG ARG A 26 -28.524 -14.980 2.536 1.00 20.00 C ATOM 535 CD ARG A 26 -30.035 -14.928 2.359 1.00 20.00 C ATOM 536 NE ARG A 26 -30.438 -14.116 1.213 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.703 -13.951 0.827 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.682 -14.584 1.461 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.989 -13.156 -0.195 1.00 20.00 N ATOM 0 H ARG A 26 -26.537 -13.825 3.878 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.503 -16.481 4.941 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.605 -16.747 3.734 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.584 -15.255 4.653 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.126 -13.967 2.600 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.067 -15.447 1.664 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.418 -15.941 2.235 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.490 -14.524 3.264 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.708 -13.648 0.677 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.467 -15.199 2.246 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.649 -14.456 1.163 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.240 -12.669 -0.688 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.958 -13.031 -0.489 1.00 20.00 H new ATOM 553 N ALA A 27 -25.160 -16.050 2.103 1.00 20.00 N ATOM 554 CA ALA A 27 -24.396 -16.724 1.067 1.00 20.00 C ATOM 555 C ALA A 27 -23.134 -17.335 1.660 1.00 20.00 C ATOM 556 O ALA A 27 -22.646 -18.367 1.198 1.00 20.00 O ATOM 557 CB ALA A 27 -24.039 -15.760 -0.051 1.00 20.00 C ATOM 0 H ALA A 27 -24.987 -15.047 2.172 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.011 -17.521 0.648 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.467 -16.286 -0.816 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -24.952 -15.360 -0.492 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.441 -14.942 0.351 1.00 20.00 H new ATOM 563 N LYS A 28 -22.615 -16.689 2.695 1.00 20.00 N ATOM 564 CA LYS A 28 -21.387 -17.133 3.341 1.00 20.00 C ATOM 565 C LYS A 28 -21.679 -18.097 4.486 1.00 20.00 C ATOM 566 O LYS A 28 -20.784 -18.799 4.965 1.00 20.00 O ATOM 567 CB LYS A 28 -20.583 -15.931 3.841 1.00 20.00 C ATOM 568 CG LYS A 28 -20.068 -15.034 2.718 1.00 20.00 C ATOM 569 CD LYS A 28 -19.099 -15.766 1.796 1.00 20.00 C ATOM 570 CE LYS A 28 -17.830 -16.196 2.524 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.037 -15.031 3.002 1.00 20.00 N ATOM 0 H LYS A 28 -23.027 -15.852 3.107 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.793 -17.668 2.600 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.207 -15.339 4.511 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.736 -16.288 4.427 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.911 -14.663 2.136 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.571 -14.165 3.148 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.591 -16.644 1.377 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.835 -15.118 0.960 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.095 -16.826 3.373 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.217 -16.802 1.857 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.102 -15.355 3.322 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.920 -14.349 2.226 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.534 -14.574 3.793 1.00 20.00 H new ATOM 585 N VAL A 29 -22.931 -18.132 4.929 1.00 20.00 N ATOM 586 CA VAL A 29 -23.344 -19.096 5.938 1.00 20.00 C ATOM 587 C VAL A 29 -23.372 -20.495 5.326 1.00 20.00 C ATOM 588 O VAL A 29 -23.318 -21.504 6.029 1.00 20.00 O ATOM 589 CB VAL A 29 -24.728 -18.746 6.542 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.861 -19.099 5.591 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.921 -19.429 7.886 1.00 20.00 C ATOM 0 H VAL A 29 -23.671 -17.508 4.607 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.619 -19.064 6.752 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.753 -17.667 6.697 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.815 -18.839 6.049 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.742 -18.543 4.661 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.839 -20.168 5.380 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.899 -19.168 8.290 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -24.858 -20.510 7.757 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.144 -19.100 8.576 1.00 20.00 H new ATOM 772 N HIS A 42 -8.725 -20.363 4.870 1.00 20.00 N ATOM 773 CA HIS A 42 -8.694 -19.129 5.640 1.00 20.00 C ATOM 774 C HIS A 42 -9.245 -19.397 7.025 1.00 20.00 C ATOM 775 O HIS A 42 -8.869 -18.741 7.997 1.00 20.00 O ATOM 776 CB HIS A 42 -9.513 -18.024 4.962 1.00 20.00 C ATOM 777 CG HIS A 42 -9.013 -17.635 3.605 1.00 20.00 C ATOM 778 ND1 HIS A 42 -9.834 -17.529 2.503 1.00 20.00 N ATOM 779 CD2 HIS A 42 -7.772 -17.306 3.178 1.00 20.00 C ATOM 780 CE1 HIS A 42 -9.120 -17.152 1.460 1.00 20.00 C ATOM 781 NE2 HIS A 42 -7.867 -17.009 1.843 1.00 20.00 N ATOM 0 HA HIS A 42 -7.661 -18.787 5.704 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -10.548 -18.356 4.874 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -9.514 -17.142 5.603 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -6.874 -17.282 3.777 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -9.498 -16.988 0.462 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -7.093 -16.723 1.243 1.00 20.00 H new ATOM 790 N ASP A 43 -10.122 -20.396 7.102 1.00 20.00 N ATOM 791 CA ASP A 43 -10.725 -20.804 8.365 1.00 20.00 C ATOM 792 C ASP A 43 -9.654 -21.170 9.378 1.00 20.00 C ATOM 793 O ASP A 43 -9.822 -20.944 10.569 1.00 20.00 O ATOM 794 CB ASP A 43 -11.662 -21.999 8.172 1.00 20.00 C ATOM 795 CG ASP A 43 -12.865 -21.678 7.312 1.00 20.00 C ATOM 796 OD1 ASP A 43 -13.875 -21.185 7.855 1.00 20.00 O ATOM 797 OD2 ASP A 43 -12.809 -21.926 6.090 1.00 20.00 O ATOM 0 H ASP A 43 -10.431 -20.940 6.297 1.00 20.00 H new ATOM 0 HA ASP A 43 -11.303 -19.958 8.736 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -11.106 -22.819 7.717 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -12.003 -22.347 9.147 1.00 20.00 H new ATOM 802 N GLU A 44 -8.548 -21.716 8.884 1.00 20.00 N ATOM 803 CA GLU A 44 -7.441 -22.144 9.732 1.00 20.00 C ATOM 804 C GLU A 44 -6.900 -20.975 10.554 1.00 20.00 C ATOM 805 O GLU A 44 -6.618 -21.114 11.743 1.00 20.00 O ATOM 806 CB GLU A 44 -6.331 -22.749 8.866 1.00 20.00 C ATOM 807 CG GLU A 44 -5.110 -23.197 9.649 1.00 20.00 C ATOM 808 CD GLU A 44 -4.054 -23.820 8.764 1.00 20.00 C ATOM 809 OE1 GLU A 44 -3.247 -23.071 8.169 1.00 20.00 O ATOM 810 OE2 GLU A 44 -4.020 -25.063 8.659 1.00 20.00 O ATOM 0 H GLU A 44 -8.394 -21.874 7.888 1.00 20.00 H new ATOM 0 HA GLU A 44 -7.806 -22.901 10.426 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -6.734 -23.603 8.322 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -6.023 -22.014 8.123 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -4.683 -22.341 10.172 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -5.413 -23.916 10.410 1.00 20.00 H new ATOM 817 N VAL A 45 -6.786 -19.821 9.916 1.00 20.00 N ATOM 818 CA VAL A 45 -6.312 -18.620 10.588 1.00 20.00 C ATOM 819 C VAL A 45 -7.355 -18.125 11.584 1.00 20.00 C ATOM 820 O VAL A 45 -7.033 -17.700 12.695 1.00 20.00 O ATOM 821 CB VAL A 45 -6.010 -17.499 9.570 1.00 20.00 C ATOM 822 CG1 VAL A 45 -5.531 -16.236 10.270 1.00 20.00 C ATOM 823 CG2 VAL A 45 -4.983 -17.968 8.551 1.00 20.00 C ATOM 0 H VAL A 45 -7.016 -19.690 8.931 1.00 20.00 H new ATOM 0 HA VAL A 45 -5.393 -18.875 11.116 1.00 20.00 H new ATOM 0 HB VAL A 45 -6.936 -17.261 9.046 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -5.326 -15.464 9.528 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -6.303 -15.885 10.955 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -4.621 -16.453 10.829 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -4.782 -17.166 7.841 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -4.060 -18.239 9.063 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -5.370 -18.836 8.017 1.00 20.00 H new ATOM 833 N GLU A 46 -8.609 -18.219 11.177 1.00 20.00 N ATOM 834 CA GLU A 46 -9.721 -17.723 11.975 1.00 20.00 C ATOM 835 C GLU A 46 -10.008 -18.643 13.160 1.00 20.00 C ATOM 836 O GLU A 46 -10.659 -18.235 14.117 1.00 20.00 O ATOM 837 CB GLU A 46 -10.972 -17.574 11.106 1.00 20.00 C ATOM 838 CG GLU A 46 -10.694 -16.902 9.768 1.00 20.00 C ATOM 839 CD GLU A 46 -11.921 -16.795 8.887 1.00 20.00 C ATOM 840 OE1 GLU A 46 -12.637 -17.805 8.729 1.00 20.00 O ATOM 841 OE2 GLU A 46 -12.159 -15.699 8.326 1.00 20.00 O ATOM 0 H GLU A 46 -8.886 -18.638 10.289 1.00 20.00 H new ATOM 0 HA GLU A 46 -9.442 -16.745 12.368 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -11.403 -18.559 10.928 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -11.717 -16.993 11.649 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -10.295 -15.904 9.946 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -9.924 -17.464 9.240 1.00 20.00 H new ATOM 848 N ARG A 47 -9.528 -19.883 13.091 1.00 20.00 N ATOM 849 CA ARG A 47 -9.714 -20.846 14.178 1.00 20.00 C ATOM 850 C ARG A 47 -9.206 -20.280 15.497 1.00 20.00 C ATOM 851 O ARG A 47 -9.873 -20.387 16.524 1.00 20.00 O ATOM 852 CB ARG A 47 -8.990 -22.164 13.883 1.00 20.00 C ATOM 853 CG ARG A 47 -9.558 -22.940 12.706 1.00 20.00 C ATOM 854 CD ARG A 47 -11.020 -23.302 12.918 1.00 20.00 C ATOM 855 NE ARG A 47 -11.210 -24.170 14.077 1.00 20.00 N ATOM 856 CZ ARG A 47 -12.395 -24.617 14.487 1.00 20.00 C ATOM 857 NH1 ARG A 47 -13.501 -24.235 13.859 1.00 20.00 N ATOM 858 NH2 ARG A 47 -12.473 -25.433 15.533 1.00 20.00 N ATOM 0 H ARG A 47 -9.006 -20.246 12.293 1.00 20.00 H new ATOM 0 HA ARG A 47 -10.784 -21.040 14.257 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -7.938 -21.952 13.690 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -9.030 -22.794 14.772 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -9.459 -22.346 11.798 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -8.977 -23.850 12.556 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -11.603 -22.390 13.049 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -11.402 -23.800 12.027 1.00 20.00 H new ATOM 0 HE ARG A 47 -10.384 -24.451 14.605 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -13.442 -23.600 13.063 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -14.409 -24.577 14.172 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -11.624 -25.717 16.022 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -13.381 -25.775 15.846 1.00 20.00 H new ATOM 872 N ARG A 48 -8.033 -19.659 15.451 1.00 20.00 N ATOM 873 CA ARG A 48 -7.415 -19.094 16.644 1.00 20.00 C ATOM 874 C ARG A 48 -8.217 -17.900 17.153 1.00 20.00 C ATOM 875 O ARG A 48 -8.187 -17.579 18.339 1.00 20.00 O ATOM 876 CB ARG A 48 -5.976 -18.674 16.340 1.00 20.00 C ATOM 877 CG ARG A 48 -5.103 -19.819 15.846 1.00 20.00 C ATOM 878 CD ARG A 48 -3.707 -19.345 15.469 1.00 20.00 C ATOM 879 NE ARG A 48 -3.732 -18.361 14.386 1.00 20.00 N ATOM 880 CZ ARG A 48 -2.956 -18.419 13.302 1.00 20.00 C ATOM 881 NH1 ARG A 48 -2.121 -19.437 13.127 1.00 20.00 N ATOM 882 NH2 ARG A 48 -3.020 -17.458 12.390 1.00 20.00 N ATOM 0 H ARG A 48 -7.489 -19.534 14.597 1.00 20.00 H new ATOM 0 HA ARG A 48 -7.405 -19.857 17.423 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -5.987 -17.885 15.588 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -5.531 -18.250 17.240 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -5.031 -20.581 16.622 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -5.573 -20.288 14.981 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -3.225 -18.908 16.344 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -3.104 -20.201 15.166 1.00 20.00 H new ATOM 0 HE ARG A 48 -4.384 -17.581 14.465 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -2.070 -20.180 13.823 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -1.531 -19.475 12.296 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -3.662 -16.676 12.518 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -2.427 -17.501 11.561 1.00 20.00 H new ATOM 896 N MET A 49 -8.948 -17.263 16.250 1.00 20.00 N ATOM 897 CA MET A 49 -9.792 -16.127 16.605 1.00 20.00 C ATOM 898 C MET A 49 -11.109 -16.633 17.178 1.00 20.00 C ATOM 899 O MET A 49 -11.602 -16.133 18.190 1.00 20.00 O ATOM 900 CB MET A 49 -10.058 -15.252 15.375 1.00 20.00 C ATOM 901 CG MET A 49 -8.798 -14.717 14.716 1.00 20.00 C ATOM 902 SD MET A 49 -9.145 -13.780 13.215 1.00 20.00 S ATOM 903 CE MET A 49 -7.481 -13.451 12.648 1.00 20.00 C ATOM 0 H MET A 49 -8.975 -17.513 15.262 1.00 20.00 H new ATOM 0 HA MET A 49 -9.278 -15.524 17.353 1.00 20.00 H new ATOM 0 HB2 MET A 49 -10.621 -15.832 14.643 1.00 20.00 H new ATOM 0 HB3 MET A 49 -10.688 -14.412 15.668 1.00 20.00 H new ATOM 0 HG2 MET A 49 -8.265 -14.080 15.422 1.00 20.00 H new ATOM 0 HG3 MET A 49 -8.137 -15.549 14.476 1.00 20.00 H new ATOM 0 HE1 MET A 49 -7.515 -13.035 11.641 1.00 20.00 H new ATOM 0 HE2 MET A 49 -7.002 -12.738 13.319 1.00 20.00 H new ATOM 0 HE3 MET A 49 -6.910 -14.379 12.638 1.00 20.00 H new ATOM 913 N ALA A 50 -11.656 -17.653 16.526 1.00 20.00 N ATOM 914 CA ALA A 50 -12.902 -18.276 16.946 1.00 20.00 C ATOM 915 C ALA A 50 -12.779 -18.873 18.344 1.00 20.00 C ATOM 916 O ALA A 50 -13.770 -19.016 19.056 1.00 20.00 O ATOM 917 CB ALA A 50 -13.304 -19.344 15.945 1.00 20.00 C ATOM 0 H ALA A 50 -11.246 -18.070 15.690 1.00 20.00 H new ATOM 0 HA ALA A 50 -13.675 -17.509 16.982 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -14.238 -19.808 16.263 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -13.441 -18.890 14.964 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -12.523 -20.102 15.888 1.00 20.00 H new ATOM 923 N GLU A 51 -11.556 -19.211 18.730 1.00 20.00 N ATOM 924 CA GLU A 51 -11.286 -19.734 20.064 1.00 20.00 C ATOM 925 C GLU A 51 -11.755 -18.766 21.145 1.00 20.00 C ATOM 926 O GLU A 51 -12.181 -19.179 22.218 1.00 20.00 O ATOM 927 CB GLU A 51 -9.792 -20.011 20.234 1.00 20.00 C ATOM 928 CG GLU A 51 -9.315 -21.261 19.517 1.00 20.00 C ATOM 929 CD GLU A 51 -9.985 -22.516 20.035 1.00 20.00 C ATOM 930 OE1 GLU A 51 -9.742 -22.888 21.205 1.00 20.00 O ATOM 931 OE2 GLU A 51 -10.758 -23.139 19.280 1.00 20.00 O ATOM 0 H GLU A 51 -10.731 -19.132 18.135 1.00 20.00 H new ATOM 0 HA GLU A 51 -11.842 -20.665 20.173 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -9.229 -19.154 19.864 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -9.568 -20.105 21.297 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -9.512 -21.162 18.450 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -8.235 -21.354 19.634 1.00 20.00 H new ATOM 938 N ARG A 52 -11.659 -17.476 20.866 1.00 20.00 N ATOM 939 CA ARG A 52 -12.089 -16.467 21.820 1.00 20.00 C ATOM 940 C ARG A 52 -13.544 -16.064 21.597 1.00 20.00 C ATOM 941 O ARG A 52 -14.308 -15.918 22.548 1.00 20.00 O ATOM 942 CB ARG A 52 -11.181 -15.236 21.753 1.00 20.00 C ATOM 943 CG ARG A 52 -9.743 -15.495 22.195 1.00 20.00 C ATOM 944 CD ARG A 52 -9.656 -15.918 23.660 1.00 20.00 C ATOM 945 NE ARG A 52 -10.146 -17.280 23.884 1.00 20.00 N ATOM 946 CZ ARG A 52 -10.868 -17.652 24.943 1.00 20.00 C ATOM 947 NH1 ARG A 52 -11.187 -16.767 25.878 1.00 20.00 N ATOM 948 NH2 ARG A 52 -11.278 -18.908 25.061 1.00 20.00 N ATOM 0 H ARG A 52 -11.289 -17.104 19.991 1.00 20.00 H new ATOM 0 HA ARG A 52 -12.013 -16.907 22.815 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -11.173 -14.860 20.730 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -11.606 -14.451 22.378 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -9.307 -16.272 21.568 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -9.150 -14.593 22.043 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -8.620 -15.849 23.993 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -10.234 -15.223 24.270 1.00 20.00 H new ATOM 0 HE ARG A 52 -9.921 -17.989 23.186 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -10.880 -15.798 25.789 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -11.739 -17.055 26.686 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -11.042 -19.591 24.342 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -11.830 -19.190 25.871 1.00 20.00 H new ATOM 962 N PHE A 53 -13.928 -15.895 20.339 1.00 20.00 N ATOM 963 CA PHE A 53 -15.244 -15.353 20.015 1.00 20.00 C ATOM 964 C PHE A 53 -16.311 -16.443 19.922 1.00 20.00 C ATOM 965 O PHE A 53 -17.364 -16.357 20.564 1.00 20.00 O ATOM 966 CB PHE A 53 -15.178 -14.572 18.702 1.00 20.00 C ATOM 967 CG PHE A 53 -14.119 -13.503 18.690 1.00 20.00 C ATOM 968 CD1 PHE A 53 -14.053 -12.559 19.704 1.00 20.00 C ATOM 969 CD2 PHE A 53 -13.189 -13.442 17.663 1.00 20.00 C ATOM 970 CE1 PHE A 53 -13.079 -11.578 19.694 1.00 20.00 C ATOM 971 CE2 PHE A 53 -12.214 -12.463 17.649 1.00 20.00 C ATOM 972 CZ PHE A 53 -12.158 -11.531 18.666 1.00 20.00 C ATOM 0 H PHE A 53 -13.352 -16.123 19.529 1.00 20.00 H new ATOM 0 HA PHE A 53 -15.531 -14.685 20.827 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -14.990 -15.268 17.884 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -16.148 -14.113 18.513 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -14.771 -12.591 20.510 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -13.227 -14.168 16.865 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -13.038 -10.849 20.490 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -11.496 -12.427 16.843 1.00 20.00 H new ATOM 0 HZ PHE A 53 -11.395 -10.766 18.658 1.00 20.00 H new ATOM 982 N ALA A 54 -16.031 -17.478 19.143 1.00 20.00 N ATOM 983 CA ALA A 54 -17.013 -18.518 18.873 1.00 20.00 C ATOM 984 C ALA A 54 -17.115 -19.505 20.028 1.00 20.00 C ATOM 985 O ALA A 54 -18.051 -20.299 20.097 1.00 20.00 O ATOM 986 CB ALA A 54 -16.672 -19.245 17.585 1.00 20.00 C ATOM 0 H ALA A 54 -15.130 -17.620 18.686 1.00 20.00 H new ATOM 0 HA ALA A 54 -17.984 -18.036 18.762 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -17.415 -20.020 17.397 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -16.669 -18.536 16.757 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -15.687 -19.702 17.675 1.00 20.00 H new ATOM 992 N LYS A 55 -16.145 -19.471 20.923 1.00 20.00 N ATOM 993 CA LYS A 55 -16.189 -20.307 22.111 1.00 20.00 C ATOM 994 C LYS A 55 -16.879 -19.569 23.259 1.00 20.00 C ATOM 995 O LYS A 55 -17.302 -20.182 24.240 1.00 20.00 O ATOM 996 CB LYS A 55 -14.775 -20.739 22.514 1.00 20.00 C ATOM 997 CG LYS A 55 -14.693 -21.665 23.730 1.00 20.00 C ATOM 998 CD LYS A 55 -15.039 -23.118 23.405 1.00 20.00 C ATOM 999 CE LYS A 55 -16.543 -23.382 23.367 1.00 20.00 C ATOM 1000 NZ LYS A 55 -17.215 -23.007 24.639 1.00 20.00 N ATOM 0 H LYS A 55 -15.319 -18.876 20.852 1.00 20.00 H new ATOM 0 HA LYS A 55 -16.768 -21.202 21.885 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -14.311 -21.240 21.665 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -14.185 -19.846 22.718 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -13.686 -21.622 24.144 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -15.371 -21.301 24.502 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -14.606 -23.381 22.440 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -14.581 -23.770 24.149 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -16.987 -22.821 22.545 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -16.719 -24.438 23.164 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -18.138 -23.483 24.698 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -16.623 -23.298 25.443 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -17.355 -21.977 24.667 1.00 20.00 H new ATOM 1014 N MET A 56 -17.002 -18.254 23.125 1.00 20.00 N ATOM 1015 CA MET A 56 -17.632 -17.438 24.157 1.00 20.00 C ATOM 1016 C MET A 56 -19.138 -17.336 23.925 1.00 20.00 C ATOM 1017 O MET A 56 -19.932 -17.766 24.762 1.00 20.00 O ATOM 1018 CB MET A 56 -17.004 -16.041 24.207 1.00 20.00 C ATOM 1019 CG MET A 56 -17.657 -15.113 25.222 1.00 20.00 C ATOM 1020 SD MET A 56 -17.530 -15.726 26.913 1.00 20.00 S ATOM 1021 CE MET A 56 -18.467 -14.477 27.792 1.00 20.00 C ATOM 0 H MET A 56 -16.675 -17.730 22.313 1.00 20.00 H new ATOM 0 HA MET A 56 -17.464 -17.925 25.118 1.00 20.00 H new ATOM 0 HB2 MET A 56 -15.944 -16.137 24.444 1.00 20.00 H new ATOM 0 HB3 MET A 56 -17.069 -15.587 23.218 1.00 20.00 H new ATOM 0 HG2 MET A 56 -17.191 -14.130 25.161 1.00 20.00 H new ATOM 0 HG3 MET A 56 -18.708 -14.984 24.965 1.00 20.00 H new ATOM 0 HE1 MET A 56 -18.482 -14.715 28.856 1.00 20.00 H new ATOM 0 HE2 MET A 56 -18.002 -13.502 27.644 1.00 20.00 H new ATOM 0 HE3 MET A 56 -19.488 -14.453 27.411 1.00 20.00 H new ATOM 1031 N ARG A 57 -19.533 -16.768 22.792 1.00 20.00 N ATOM 1032 CA ARG A 57 -20.948 -16.628 22.478 1.00 20.00 C ATOM 1033 C ARG A 57 -21.358 -17.629 21.404 1.00 20.00 C ATOM 1034 O ARG A 57 -22.454 -18.187 21.453 1.00 20.00 O ATOM 1035 CB ARG A 57 -21.276 -15.201 22.025 1.00 20.00 C ATOM 1036 CG ARG A 57 -22.753 -14.995 21.719 1.00 20.00 C ATOM 1037 CD ARG A 57 -23.057 -13.570 21.282 1.00 20.00 C ATOM 1038 NE ARG A 57 -24.451 -13.420 20.862 1.00 20.00 N ATOM 1039 CZ ARG A 57 -24.889 -12.455 20.053 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -24.058 -11.512 19.625 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -26.165 -12.420 19.694 1.00 20.00 N ATOM 0 H ARG A 57 -18.900 -16.400 22.082 1.00 20.00 H new ATOM 0 HA ARG A 57 -21.514 -16.834 23.386 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -20.971 -14.501 22.803 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -20.691 -14.965 21.136 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -23.059 -15.687 20.934 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -23.342 -15.235 22.604 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -22.848 -12.885 22.104 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -22.397 -13.292 20.460 1.00 20.00 H new ATOM 0 HE ARG A 57 -25.130 -14.096 21.210 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -23.080 -11.524 19.915 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -24.397 -10.776 19.006 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -26.811 -13.131 20.037 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -26.501 -11.682 19.075 1.00 20.00 H new