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= -0.111 K(o=-0.11,f=-0.78) USER MOD Single : A 19 ASN : amide:sc=-0.00587 K(o=-0.0059,f=-1.6!) USER MOD Single : A 20 SER OG : rot 74:sc= 1.28 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.935 K(o=-0.93,f=-0.11) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0425) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -159:sc= -0.228 (180deg=-0.768) USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0132) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -30.939 0.675 3.269 1.00 20.00 N ATOM 365 CA GLU A 16 -31.264 -0.407 2.337 1.00 20.00 C ATOM 366 C GLU A 16 -30.001 -1.113 1.834 1.00 20.00 C ATOM 367 O GLU A 16 -29.951 -2.342 1.755 1.00 20.00 O ATOM 368 CB GLU A 16 -32.065 0.135 1.147 1.00 20.00 C ATOM 369 CG GLU A 16 -31.343 1.216 0.359 1.00 20.00 C ATOM 370 CD GLU A 16 -32.061 1.581 -0.918 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.018 2.377 -0.862 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.666 1.075 -1.989 1.00 20.00 O ATOM 0 HA GLU A 16 -31.869 -1.136 2.877 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.305 -0.691 0.477 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -33.011 0.535 1.511 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -31.240 2.106 0.980 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -30.336 0.875 0.120 1.00 20.00 H new ATOM 379 N GLN A 17 -28.973 -0.328 1.532 1.00 20.00 N ATOM 380 CA GLN A 17 -27.722 -0.864 1.011 1.00 20.00 C ATOM 381 C GLN A 17 -27.014 -1.706 2.068 1.00 20.00 C ATOM 382 O GLN A 17 -26.325 -2.672 1.748 1.00 20.00 O ATOM 383 CB GLN A 17 -26.803 0.266 0.538 1.00 20.00 C ATOM 384 CG GLN A 17 -27.378 1.091 -0.609 1.00 20.00 C ATOM 385 CD GLN A 17 -27.691 0.253 -1.837 1.00 20.00 C ATOM 386 OE1 GLN A 17 -27.044 -0.765 -2.093 1.00 20.00 O ATOM 387 NE2 GLN A 17 -28.682 0.675 -2.608 1.00 20.00 N ATOM 0 H GLN A 17 -28.982 0.686 1.640 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.959 -1.501 0.158 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.594 0.927 1.379 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.851 -0.161 0.224 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.288 1.588 -0.273 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.669 1.873 -0.879 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -29.194 1.522 -2.362 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -28.933 0.153 -3.447 1.00 20.00 H new ATOM 396 N GLU A 18 -27.214 -1.350 3.329 1.00 20.00 N ATOM 397 CA GLU A 18 -26.596 -2.069 4.431 1.00 20.00 C ATOM 398 C GLU A 18 -27.400 -3.319 4.751 1.00 20.00 C ATOM 399 O GLU A 18 -26.839 -4.358 5.098 1.00 20.00 O ATOM 400 CB GLU A 18 -26.472 -1.170 5.662 1.00 20.00 C ATOM 401 CG GLU A 18 -25.588 0.046 5.436 1.00 20.00 C ATOM 402 CD GLU A 18 -25.513 0.940 6.651 1.00 20.00 C ATOM 403 OE1 GLU A 18 -26.388 1.819 6.795 1.00 20.00 O ATOM 404 OE2 GLU A 18 -24.577 0.772 7.460 1.00 20.00 O ATOM 0 H GLU A 18 -27.801 -0.566 3.613 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.591 -2.369 4.135 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.466 -0.837 5.961 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.069 -1.754 6.490 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -24.584 -0.283 5.169 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.971 0.618 4.591 1.00 20.00 H new ATOM 411 N ASN A 19 -28.716 -3.222 4.609 1.00 20.00 N ATOM 412 CA ASN A 19 -29.581 -4.391 4.731 1.00 20.00 C ATOM 413 C ASN A 19 -29.225 -5.398 3.648 1.00 20.00 C ATOM 414 O ASN A 19 -29.263 -6.607 3.870 1.00 20.00 O ATOM 415 CB ASN A 19 -31.064 -4.007 4.618 1.00 20.00 C ATOM 416 CG ASN A 19 -31.581 -3.241 5.826 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.831 -2.543 6.502 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.872 -3.360 6.098 1.00 20.00 N ATOM 0 H ASN A 19 -29.207 -2.350 4.410 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.424 -4.832 5.716 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.208 -3.401 3.723 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.658 -4.912 4.489 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.274 -2.862 6.892 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.464 -3.950 5.513 1.00 20.00 H new ATOM 425 N SER A 20 -28.838 -4.882 2.488 1.00 20.00 N ATOM 426 CA SER A 20 -28.460 -5.716 1.357 1.00 20.00 C ATOM 427 C SER A 20 -27.122 -6.411 1.607 1.00 20.00 C ATOM 428 O SER A 20 -26.818 -7.431 0.988 1.00 20.00 O ATOM 429 CB SER A 20 -28.389 -4.870 0.084 1.00 20.00 C ATOM 430 OG SER A 20 -29.627 -4.214 -0.157 1.00 20.00 O ATOM 0 H SER A 20 -28.778 -3.880 2.306 1.00 20.00 H new ATOM 0 HA SER A 20 -29.220 -6.487 1.232 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.593 -4.131 0.177 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.137 -5.504 -0.766 1.00 20.00 H new ATOM 0 HG SER A 20 -29.735 -3.475 0.478 1.00 20.00 H new ATOM 436 N TYR A 21 -26.328 -5.871 2.528 1.00 20.00 N ATOM 437 CA TYR A 21 -25.054 -6.487 2.887 1.00 20.00 C ATOM 438 C TYR A 21 -25.288 -7.809 3.603 1.00 20.00 C ATOM 439 O TYR A 21 -24.429 -8.688 3.601 1.00 20.00 O ATOM 440 CB TYR A 21 -24.213 -5.564 3.775 1.00 20.00 C ATOM 441 CG TYR A 21 -23.659 -4.342 3.068 1.00 20.00 C ATOM 442 CD1 TYR A 21 -23.260 -4.402 1.738 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.516 -3.133 3.739 1.00 20.00 C ATOM 444 CE1 TYR A 21 -22.742 -3.294 1.098 1.00 20.00 C ATOM 445 CE2 TYR A 21 -23.000 -2.020 3.102 1.00 20.00 C ATOM 446 CZ TYR A 21 -22.614 -2.106 1.783 1.00 20.00 C ATOM 447 OH TYR A 21 -22.094 -1.001 1.146 1.00 20.00 O ATOM 0 H TYR A 21 -26.543 -5.013 3.037 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.505 -6.666 1.962 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.823 -5.235 4.616 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.382 -6.136 4.188 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -23.357 -5.331 1.196 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.813 -3.062 4.775 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -22.438 -3.358 0.064 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.900 -1.087 3.637 1.00 20.00 H new ATOM 0 HH TYR A 21 -22.072 -0.245 1.769 1.00 20.00 H new ATOM 457 N ASN A 22 -26.469 -7.954 4.194 1.00 20.00 N ATOM 458 CA ASN A 22 -26.819 -9.173 4.914 1.00 20.00 C ATOM 459 C ASN A 22 -26.957 -10.349 3.957 1.00 20.00 C ATOM 460 O ASN A 22 -26.901 -11.500 4.377 1.00 20.00 O ATOM 461 CB ASN A 22 -28.110 -8.997 5.719 1.00 20.00 C ATOM 462 CG ASN A 22 -27.942 -8.044 6.888 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.531 -8.445 7.976 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.275 -6.781 6.674 1.00 20.00 N ATOM 0 H ASN A 22 -27.200 -7.243 4.189 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.008 -9.382 5.612 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.896 -8.625 5.062 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.438 -9.968 6.090 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.195 -6.098 7.427 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.612 -6.491 5.756 1.00 20.00 H new ATOM 471 N GLU A 23 -27.118 -10.059 2.667 1.00 20.00 N ATOM 472 CA GLU A 23 -27.163 -11.108 1.654 1.00 20.00 C ATOM 473 C GLU A 23 -25.827 -11.839 1.587 1.00 20.00 C ATOM 474 O GLU A 23 -25.770 -13.031 1.284 1.00 20.00 O ATOM 475 CB GLU A 23 -27.513 -10.535 0.280 1.00 20.00 C ATOM 476 CG GLU A 23 -28.941 -10.027 0.177 1.00 20.00 C ATOM 477 CD GLU A 23 -29.964 -11.098 0.500 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.145 -12.028 -0.318 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.594 -11.014 1.571 1.00 20.00 O ATOM 0 H GLU A 23 -27.219 -9.112 2.302 1.00 20.00 H new ATOM 0 HA GLU A 23 -27.943 -11.814 1.939 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -26.829 -9.718 0.052 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.355 -11.304 -0.476 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.074 -9.186 0.857 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.118 -9.653 -0.831 1.00 20.00 H new ATOM 486 N TRP A 24 -24.754 -11.119 1.891 1.00 20.00 N ATOM 487 CA TRP A 24 -23.422 -11.702 1.910 1.00 20.00 C ATOM 488 C TRP A 24 -23.282 -12.651 3.101 1.00 20.00 C ATOM 489 O TRP A 24 -22.611 -13.677 3.019 1.00 20.00 O ATOM 490 CB TRP A 24 -22.362 -10.597 1.963 1.00 20.00 C ATOM 491 CG TRP A 24 -20.954 -11.105 1.889 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.392 -11.810 0.866 1.00 20.00 C ATOM 493 CD2 TRP A 24 -19.925 -10.933 2.871 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.079 -12.092 1.154 1.00 20.00 N ATOM 495 CE2 TRP A 24 -18.769 -11.565 2.378 1.00 20.00 C ATOM 496 CE3 TRP A 24 -19.870 -10.308 4.120 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -17.572 -11.590 3.091 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -18.682 -10.332 4.825 1.00 20.00 C ATOM 499 CH2 TRP A 24 -17.548 -10.970 4.309 1.00 20.00 C ATOM 0 H TRP A 24 -24.783 -10.127 2.128 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.270 -12.275 0.995 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.532 -9.904 1.139 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.486 -10.031 2.886 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.904 -12.104 -0.038 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.439 -12.610 0.553 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -20.741 -9.815 4.527 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -16.695 -12.081 2.696 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -18.627 -9.851 5.790 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -16.635 -10.972 4.885 1.00 20.00 H new ATOM 510 N LEU A 25 -23.948 -12.311 4.197 1.00 20.00 N ATOM 511 CA LEU A 25 -23.945 -13.151 5.391 1.00 20.00 C ATOM 512 C LEU A 25 -24.906 -14.320 5.208 1.00 20.00 C ATOM 513 O LEU A 25 -24.660 -15.423 5.693 1.00 20.00 O ATOM 514 CB LEU A 25 -24.341 -12.345 6.640 1.00 20.00 C ATOM 515 CG LEU A 25 -23.289 -11.358 7.171 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.070 -10.205 6.203 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.701 -10.830 8.535 1.00 20.00 C ATOM 0 H LEU A 25 -24.499 -11.457 4.285 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.933 -13.529 5.534 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.251 -11.788 6.415 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.586 -13.047 7.437 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.346 -11.896 7.269 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.320 -9.526 6.609 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -22.726 -10.595 5.245 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -24.007 -9.667 6.060 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.946 -10.132 8.898 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -24.659 -10.317 8.452 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -23.793 -11.661 9.234 1.00 20.00 H new ATOM 529 N ARG A 26 -25.991 -14.053 4.486 1.00 20.00 N ATOM 530 CA ARG A 26 -27.041 -15.036 4.215 1.00 20.00 C ATOM 531 C ARG A 26 -26.469 -16.349 3.694 1.00 20.00 C ATOM 532 O ARG A 26 -26.902 -17.423 4.104 1.00 20.00 O ATOM 533 CB ARG A 26 -28.028 -14.455 3.198 1.00 20.00 C ATOM 534 CG ARG A 26 -29.117 -15.421 2.753 1.00 20.00 C ATOM 535 CD ARG A 26 -30.007 -14.791 1.693 1.00 20.00 C ATOM 536 NE ARG A 26 -31.052 -15.699 1.235 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.958 -15.382 0.315 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.930 -14.188 -0.269 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.886 -16.265 -0.034 1.00 20.00 N ATOM 0 H ARG A 26 -26.170 -13.140 4.068 1.00 20.00 H new ATOM 0 HA ARG A 26 -27.553 -15.252 5.153 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.498 -13.572 3.630 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.473 -14.124 2.320 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.662 -16.329 2.358 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.721 -15.714 3.612 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.465 -13.888 2.097 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.396 -14.486 0.843 1.00 20.00 H new ATOM 0 HE ARG A 26 -31.090 -16.632 1.645 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.212 -13.511 -0.012 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.627 -13.949 -0.974 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.904 -17.186 0.404 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.581 -16.022 -0.740 1.00 20.00 H new ATOM 553 N ALA A 27 -25.485 -16.255 2.811 1.00 20.00 N ATOM 554 CA ALA A 27 -24.890 -17.433 2.195 1.00 20.00 C ATOM 555 C ALA A 27 -24.318 -18.392 3.236 1.00 20.00 C ATOM 556 O ALA A 27 -24.421 -19.610 3.090 1.00 20.00 O ATOM 557 CB ALA A 27 -23.809 -17.020 1.211 1.00 20.00 C ATOM 0 H ALA A 27 -25.080 -15.371 2.504 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.681 -17.961 1.662 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.371 -17.909 0.757 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -24.245 -16.393 0.434 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.034 -16.462 1.735 1.00 20.00 H new ATOM 563 N LYS A 28 -23.704 -17.840 4.276 1.00 20.00 N ATOM 564 CA LYS A 28 -23.088 -18.659 5.311 1.00 20.00 C ATOM 565 C LYS A 28 -24.041 -18.940 6.474 1.00 20.00 C ATOM 566 O LYS A 28 -23.985 -20.008 7.082 1.00 20.00 O ATOM 567 CB LYS A 28 -21.799 -18.012 5.831 1.00 20.00 C ATOM 568 CG LYS A 28 -20.659 -18.012 4.815 1.00 20.00 C ATOM 569 CD LYS A 28 -19.311 -17.753 5.478 1.00 20.00 C ATOM 570 CE LYS A 28 -19.189 -16.334 6.023 1.00 20.00 C ATOM 571 NZ LYS A 28 -19.103 -15.322 4.937 1.00 20.00 N ATOM 0 H LYS A 28 -23.620 -16.834 4.424 1.00 20.00 H new ATOM 0 HA LYS A 28 -22.843 -19.614 4.847 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -22.012 -16.984 6.125 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.474 -18.539 6.728 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.632 -18.972 4.299 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -20.845 -17.249 4.059 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.168 -18.464 6.291 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.515 -17.930 4.755 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -20.049 -16.114 6.655 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.303 -16.264 6.654 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -18.903 -14.388 5.348 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -18.340 -15.582 4.280 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -20.006 -15.287 4.423 1.00 20.00 H new ATOM 585 N VAL A 29 -24.905 -17.984 6.797 1.00 20.00 N ATOM 586 CA VAL A 29 -25.753 -18.106 7.981 1.00 20.00 C ATOM 587 C VAL A 29 -27.043 -18.875 7.686 1.00 20.00 C ATOM 588 O VAL A 29 -27.658 -19.438 8.591 1.00 20.00 O ATOM 589 CB VAL A 29 -26.094 -16.721 8.582 1.00 20.00 C ATOM 590 CG1 VAL A 29 -27.124 -15.981 7.745 1.00 20.00 C ATOM 591 CG2 VAL A 29 -26.561 -16.859 10.022 1.00 20.00 C ATOM 0 H VAL A 29 -25.037 -17.125 6.264 1.00 20.00 H new ATOM 0 HA VAL A 29 -25.178 -18.673 8.713 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.181 -16.126 8.572 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -27.336 -15.014 8.201 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -26.734 -15.830 6.738 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -28.041 -16.567 7.695 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -26.795 -15.874 10.425 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -27.452 -17.486 10.057 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -25.771 -17.316 10.618 1.00 20.00 H new ATOM 772 N HIS A 42 -47.890 -23.926 14.308 1.00 20.00 N ATOM 773 CA HIS A 42 -48.665 -24.359 13.145 1.00 20.00 C ATOM 774 C HIS A 42 -48.493 -23.418 11.965 1.00 20.00 C ATOM 775 O HIS A 42 -48.575 -23.844 10.813 1.00 20.00 O ATOM 776 CB HIS A 42 -50.156 -24.470 13.491 1.00 20.00 C ATOM 777 CG HIS A 42 -50.498 -25.634 14.370 1.00 20.00 C ATOM 778 ND1 HIS A 42 -51.223 -26.720 13.928 1.00 20.00 N ATOM 779 CD2 HIS A 42 -50.222 -25.875 15.674 1.00 20.00 C ATOM 780 CE1 HIS A 42 -51.380 -27.574 14.920 1.00 20.00 C ATOM 781 NE2 HIS A 42 -50.781 -27.086 15.987 1.00 20.00 N ATOM 0 HA HIS A 42 -48.283 -25.340 12.862 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -50.472 -23.551 13.985 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -50.727 -24.548 12.566 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -49.666 -25.233 16.341 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -51.910 -28.514 14.867 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -50.740 -27.538 16.901 1.00 20.00 H new ATOM 790 N ASP A 43 -48.249 -22.144 12.253 1.00 20.00 N ATOM 791 CA ASP A 43 -48.089 -21.140 11.209 1.00 20.00 C ATOM 792 C ASP A 43 -46.706 -21.238 10.581 1.00 20.00 C ATOM 793 O ASP A 43 -46.527 -20.945 9.396 1.00 20.00 O ATOM 794 CB ASP A 43 -48.330 -19.732 11.765 1.00 20.00 C ATOM 795 CG ASP A 43 -47.352 -19.344 12.857 1.00 20.00 C ATOM 796 OD1 ASP A 43 -47.443 -19.900 13.974 1.00 20.00 O ATOM 797 OD2 ASP A 43 -46.498 -18.468 12.609 1.00 20.00 O ATOM 0 H ASP A 43 -48.158 -21.782 13.202 1.00 20.00 H new ATOM 0 HA ASP A 43 -48.833 -21.332 10.436 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -48.260 -19.010 10.951 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -49.345 -19.673 12.158 1.00 20.00 H new ATOM 802 N GLU A 44 -45.729 -21.671 11.369 1.00 20.00 N ATOM 803 CA GLU A 44 -44.387 -21.880 10.852 1.00 20.00 C ATOM 804 C GLU A 44 -44.354 -23.135 9.996 1.00 20.00 C ATOM 805 O GLU A 44 -43.660 -23.188 8.984 1.00 20.00 O ATOM 806 CB GLU A 44 -43.358 -21.976 11.985 1.00 20.00 C ATOM 807 CG GLU A 44 -41.951 -22.281 11.495 1.00 20.00 C ATOM 808 CD GLU A 44 -40.883 -21.953 12.515 1.00 20.00 C ATOM 809 OE1 GLU A 44 -40.479 -20.774 12.591 1.00 20.00 O ATOM 810 OE2 GLU A 44 -40.437 -22.864 13.236 1.00 20.00 O ATOM 0 H GLU A 44 -45.842 -21.882 12.361 1.00 20.00 H new ATOM 0 HA GLU A 44 -44.120 -21.020 10.238 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -43.347 -21.036 12.537 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -43.668 -22.753 12.684 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -41.884 -23.337 11.235 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -41.760 -21.716 10.583 1.00 20.00 H new ATOM 817 N VAL A 45 -45.130 -24.134 10.395 1.00 20.00 N ATOM 818 CA VAL A 45 -45.239 -25.368 9.630 1.00 20.00 C ATOM 819 C VAL A 45 -45.714 -25.076 8.212 1.00 20.00 C ATOM 820 O VAL A 45 -45.216 -25.656 7.252 1.00 20.00 O ATOM 821 CB VAL A 45 -46.204 -26.369 10.296 1.00 20.00 C ATOM 822 CG1 VAL A 45 -46.320 -27.641 9.471 1.00 20.00 C ATOM 823 CG2 VAL A 45 -45.750 -26.693 11.707 1.00 20.00 C ATOM 0 H VAL A 45 -45.694 -24.113 11.245 1.00 20.00 H new ATOM 0 HA VAL A 45 -44.246 -25.817 9.599 1.00 20.00 H new ATOM 0 HB VAL A 45 -47.189 -25.904 10.348 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -47.006 -28.331 9.961 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -46.698 -27.397 8.478 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -45.339 -28.107 9.381 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -46.445 -27.401 12.159 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -44.753 -27.132 11.677 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -45.726 -25.779 12.300 1.00 20.00 H new ATOM 833 N GLU A 46 -46.663 -24.154 8.091 1.00 20.00 N ATOM 834 CA GLU A 46 -47.206 -23.773 6.788 1.00 20.00 C ATOM 835 C GLU A 46 -46.116 -23.213 5.879 1.00 20.00 C ATOM 836 O GLU A 46 -45.909 -23.705 4.769 1.00 20.00 O ATOM 837 CB GLU A 46 -48.334 -22.745 6.944 1.00 20.00 C ATOM 838 CG GLU A 46 -49.431 -23.197 7.890 1.00 20.00 C ATOM 839 CD GLU A 46 -50.606 -22.246 7.931 1.00 20.00 C ATOM 840 OE1 GLU A 46 -50.523 -21.213 8.628 1.00 20.00 O ATOM 841 OE2 GLU A 46 -51.628 -22.532 7.271 1.00 20.00 O ATOM 0 H GLU A 46 -47.074 -23.655 8.880 1.00 20.00 H new ATOM 0 HA GLU A 46 -47.612 -24.673 6.328 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -47.914 -21.807 7.307 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -48.769 -22.541 5.965 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -49.780 -24.184 7.587 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -49.018 -23.299 8.894 1.00 20.00 H new ATOM 848 N ARG A 47 -45.400 -22.201 6.359 1.00 20.00 N ATOM 849 CA ARG A 47 -44.366 -21.558 5.555 1.00 20.00 C ATOM 850 C ARG A 47 -43.191 -22.505 5.322 1.00 20.00 C ATOM 851 O ARG A 47 -42.525 -22.445 4.288 1.00 20.00 O ATOM 852 CB ARG A 47 -43.885 -20.256 6.213 1.00 20.00 C ATOM 853 CG ARG A 47 -43.183 -20.447 7.549 1.00 20.00 C ATOM 854 CD ARG A 47 -42.727 -19.119 8.137 1.00 20.00 C ATOM 855 NE ARG A 47 -42.001 -19.288 9.397 1.00 20.00 N ATOM 856 CZ ARG A 47 -41.414 -18.286 10.055 1.00 20.00 C ATOM 857 NH1 ARG A 47 -41.481 -17.050 9.578 1.00 20.00 N ATOM 858 NH2 ARG A 47 -40.767 -18.516 11.192 1.00 20.00 N ATOM 0 H ARG A 47 -45.515 -21.810 7.294 1.00 20.00 H new ATOM 0 HA ARG A 47 -44.803 -21.309 4.588 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -43.205 -19.748 5.529 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -44.742 -19.599 6.358 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -43.857 -20.942 8.247 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -42.322 -21.102 7.418 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -42.088 -18.607 7.418 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -43.595 -18.481 8.303 1.00 20.00 H new ATOM 0 HE ARG A 47 -41.940 -20.225 9.795 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -41.981 -16.865 8.708 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -41.032 -16.284 10.081 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -40.716 -19.463 11.567 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -40.321 -17.746 11.690 1.00 20.00 H new ATOM 872 N ARG A 48 -42.958 -23.393 6.279 1.00 20.00 N ATOM 873 CA ARG A 48 -41.845 -24.324 6.201 1.00 20.00 C ATOM 874 C ARG A 48 -42.185 -25.490 5.276 1.00 20.00 C ATOM 875 O ARG A 48 -41.298 -26.094 4.673 1.00 20.00 O ATOM 876 CB ARG A 48 -41.498 -24.843 7.598 1.00 20.00 C ATOM 877 CG ARG A 48 -40.094 -25.411 7.719 1.00 20.00 C ATOM 878 CD ARG A 48 -39.043 -24.356 7.405 1.00 20.00 C ATOM 879 NE ARG A 48 -37.692 -24.823 7.690 1.00 20.00 N ATOM 880 CZ ARG A 48 -36.593 -24.280 7.171 1.00 20.00 C ATOM 881 NH1 ARG A 48 -36.686 -23.267 6.318 1.00 20.00 N ATOM 882 NH2 ARG A 48 -35.398 -24.743 7.510 1.00 20.00 N ATOM 0 H ARG A 48 -43.528 -23.487 7.120 1.00 20.00 H new ATOM 0 HA ARG A 48 -40.981 -23.800 5.792 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -41.612 -24.030 8.315 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -42.216 -25.615 7.875 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -39.939 -25.793 8.728 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -39.981 -26.255 7.038 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -39.115 -24.076 6.354 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -39.246 -23.458 7.989 1.00 20.00 H new ATOM 0 HE ARG A 48 -37.582 -25.613 8.325 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -37.602 -22.902 6.058 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -35.841 -22.854 5.923 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -35.319 -25.517 8.170 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -34.557 -24.325 7.111 1.00 20.00 H new ATOM 896 N MET A 49 -43.474 -25.793 5.164 1.00 20.00 N ATOM 897 CA MET A 49 -43.944 -26.896 4.332 1.00 20.00 C ATOM 898 C MET A 49 -43.628 -26.631 2.866 1.00 20.00 C ATOM 899 O MET A 49 -43.272 -27.543 2.123 1.00 20.00 O ATOM 900 CB MET A 49 -45.450 -27.098 4.519 1.00 20.00 C ATOM 901 CG MET A 49 -45.993 -28.346 3.838 1.00 20.00 C ATOM 902 SD MET A 49 -47.778 -28.528 4.038 1.00 20.00 S ATOM 903 CE MET A 49 -47.918 -28.585 5.824 1.00 20.00 C ATOM 0 H MET A 49 -44.218 -25.286 5.643 1.00 20.00 H new ATOM 0 HA MET A 49 -43.427 -27.805 4.640 1.00 20.00 H new ATOM 0 HB2 MET A 49 -45.670 -27.153 5.585 1.00 20.00 H new ATOM 0 HB3 MET A 49 -45.975 -26.226 4.130 1.00 20.00 H new ATOM 0 HG2 MET A 49 -45.752 -28.309 2.776 1.00 20.00 H new ATOM 0 HG3 MET A 49 -45.494 -29.224 4.247 1.00 20.00 H new ATOM 0 HE1 MET A 49 -48.862 -29.056 6.100 1.00 20.00 H new ATOM 0 HE2 MET A 49 -47.090 -29.163 6.236 1.00 20.00 H new ATOM 0 HE3 MET A 49 -47.887 -27.571 6.224 1.00 20.00 H new ATOM 913 N ALA A 50 -43.740 -25.371 2.465 1.00 20.00 N ATOM 914 CA ALA A 50 -43.398 -24.968 1.108 1.00 20.00 C ATOM 915 C ALA A 50 -41.924 -25.230 0.833 1.00 20.00 C ATOM 916 O ALA A 50 -41.539 -25.625 -0.267 1.00 20.00 O ATOM 917 CB ALA A 50 -43.722 -23.500 0.899 1.00 20.00 C ATOM 0 H ALA A 50 -44.065 -24.610 3.061 1.00 20.00 H new ATOM 0 HA ALA A 50 -43.990 -25.559 0.409 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -43.462 -23.211 -0.119 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -44.787 -23.336 1.062 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -43.150 -22.897 1.604 1.00 20.00 H new ATOM 923 N GLU A 51 -41.112 -25.034 1.860 1.00 20.00 N ATOM 924 CA GLU A 51 -39.677 -25.250 1.757 1.00 20.00 C ATOM 925 C GLU A 51 -39.355 -26.736 1.854 1.00 20.00 C ATOM 926 O GLU A 51 -38.293 -27.184 1.430 1.00 20.00 O ATOM 927 CB GLU A 51 -38.951 -24.479 2.856 1.00 20.00 C ATOM 928 CG GLU A 51 -39.220 -22.984 2.825 1.00 20.00 C ATOM 929 CD GLU A 51 -38.465 -22.238 3.898 1.00 20.00 C ATOM 930 OE1 GLU A 51 -38.885 -22.294 5.070 1.00 20.00 O ATOM 931 OE2 GLU A 51 -37.446 -21.595 3.576 1.00 20.00 O ATOM 0 H GLU A 51 -41.425 -24.724 2.780 1.00 20.00 H new ATOM 0 HA GLU A 51 -39.337 -24.885 0.788 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -39.252 -24.874 3.826 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -37.879 -24.649 2.761 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -38.942 -22.588 1.848 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -40.289 -22.808 2.948 1.00 20.00 H new ATOM 938 N ARG A 52 -40.276 -27.495 2.431 1.00 20.00 N ATOM 939 CA ARG A 52 -40.143 -28.943 2.484 1.00 20.00 C ATOM 940 C ARG A 52 -40.460 -29.538 1.119 1.00 20.00 C ATOM 941 O ARG A 52 -39.878 -30.540 0.716 1.00 20.00 O ATOM 942 CB ARG A 52 -41.064 -29.547 3.549 1.00 20.00 C ATOM 943 CG ARG A 52 -40.354 -30.006 4.822 1.00 20.00 C ATOM 944 CD ARG A 52 -39.987 -28.852 5.752 1.00 20.00 C ATOM 945 NE ARG A 52 -39.041 -27.910 5.152 1.00 20.00 N ATOM 946 CZ ARG A 52 -37.718 -27.967 5.320 1.00 20.00 C ATOM 947 NH1 ARG A 52 -37.173 -28.960 6.012 1.00 20.00 N ATOM 948 NH2 ARG A 52 -36.936 -27.038 4.780 1.00 20.00 N ATOM 0 H ARG A 52 -41.123 -27.132 2.869 1.00 20.00 H new ATOM 0 HA ARG A 52 -39.115 -29.183 2.756 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -41.820 -28.809 3.817 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -41.589 -30.398 3.115 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -40.996 -30.706 5.357 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -39.448 -30.548 4.550 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -40.894 -28.317 6.033 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -39.557 -29.255 6.669 1.00 20.00 H new ATOM 0 HE ARG A 52 -39.417 -27.162 4.568 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -37.766 -29.684 6.418 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -36.162 -28.999 6.138 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -37.346 -26.279 4.236 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -35.925 -27.084 4.910 1.00 20.00 H new ATOM 962 N PHE A 53 -41.378 -28.898 0.408 1.00 20.00 N ATOM 963 CA PHE A 53 -41.726 -29.317 -0.942 1.00 20.00 C ATOM 964 C PHE A 53 -40.588 -28.978 -1.901 1.00 20.00 C ATOM 965 O PHE A 53 -40.406 -29.628 -2.932 1.00 20.00 O ATOM 966 CB PHE A 53 -43.025 -28.644 -1.391 1.00 20.00 C ATOM 967 CG PHE A 53 -43.532 -29.132 -2.720 1.00 20.00 C ATOM 968 CD1 PHE A 53 -43.950 -30.445 -2.876 1.00 20.00 C ATOM 969 CD2 PHE A 53 -43.589 -28.281 -3.813 1.00 20.00 C ATOM 970 CE1 PHE A 53 -44.414 -30.899 -4.095 1.00 20.00 C ATOM 971 CE2 PHE A 53 -44.053 -28.731 -5.034 1.00 20.00 C ATOM 972 CZ PHE A 53 -44.467 -30.042 -5.175 1.00 20.00 C ATOM 0 H PHE A 53 -41.895 -28.086 0.744 1.00 20.00 H new ATOM 0 HA PHE A 53 -41.880 -30.396 -0.948 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -43.792 -28.814 -0.635 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -42.865 -27.567 -1.446 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -43.912 -31.121 -2.034 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -43.267 -27.255 -3.709 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -44.735 -31.924 -4.203 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -44.092 -28.058 -5.878 1.00 20.00 H new ATOM 0 HZ PHE A 53 -44.831 -30.395 -6.129 1.00 20.00 H new ATOM 982 N ALA A 54 -39.815 -27.958 -1.541 1.00 20.00 N ATOM 983 CA ALA A 54 -38.641 -27.566 -2.312 1.00 20.00 C ATOM 984 C ALA A 54 -37.557 -28.637 -2.230 1.00 20.00 C ATOM 985 O ALA A 54 -36.708 -28.751 -3.115 1.00 20.00 O ATOM 986 CB ALA A 54 -38.107 -26.232 -1.817 1.00 20.00 C ATOM 0 H ALA A 54 -39.983 -27.385 -0.714 1.00 20.00 H new ATOM 0 HA ALA A 54 -38.936 -27.459 -3.356 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -37.231 -25.951 -2.401 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -38.877 -25.468 -1.928 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -37.830 -26.318 -0.766 1.00 20.00 H new ATOM 992 N LYS A 55 -37.601 -29.426 -1.161 1.00 20.00 N ATOM 993 CA LYS A 55 -36.672 -30.535 -0.983 1.00 20.00 C ATOM 994 C LYS A 55 -36.869 -31.570 -2.082 1.00 20.00 C ATOM 995 O LYS A 55 -35.918 -32.216 -2.518 1.00 20.00 O ATOM 996 CB LYS A 55 -36.870 -31.189 0.387 1.00 20.00 C ATOM 997 CG LYS A 55 -36.593 -30.263 1.564 1.00 20.00 C ATOM 998 CD LYS A 55 -37.030 -30.883 2.883 1.00 20.00 C ATOM 999 CE LYS A 55 -36.343 -32.216 3.153 1.00 20.00 C ATOM 1000 NZ LYS A 55 -34.874 -32.067 3.328 1.00 20.00 N ATOM 0 H LYS A 55 -38.274 -29.316 -0.402 1.00 20.00 H new ATOM 0 HA LYS A 55 -35.657 -30.143 -1.041 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -37.895 -31.554 0.459 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -36.216 -32.058 0.461 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -35.528 -30.035 1.604 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -37.116 -29.318 1.415 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -36.810 -30.192 3.697 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -38.110 -31.029 2.873 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -36.770 -32.668 4.049 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -36.541 -32.899 2.327 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -34.459 -32.988 3.576 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -34.452 -31.724 2.441 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -34.683 -31.384 4.089 1.00 20.00 H new ATOM 1014 N MET A 56 -38.109 -31.698 -2.539 1.00 20.00 N ATOM 1015 CA MET A 56 -38.455 -32.638 -3.602 1.00 20.00 C ATOM 1016 C MET A 56 -37.758 -32.257 -4.906 1.00 20.00 C ATOM 1017 O MET A 56 -37.444 -33.117 -5.730 1.00 20.00 O ATOM 1018 CB MET A 56 -39.976 -32.661 -3.801 1.00 20.00 C ATOM 1019 CG MET A 56 -40.444 -33.525 -4.964 1.00 20.00 C ATOM 1020 SD MET A 56 -42.221 -33.390 -5.248 1.00 20.00 S ATOM 1021 CE MET A 56 -42.426 -34.468 -6.665 1.00 20.00 C ATOM 0 H MET A 56 -38.899 -31.158 -2.187 1.00 20.00 H new ATOM 0 HA MET A 56 -38.117 -33.633 -3.312 1.00 20.00 H new ATOM 0 HB2 MET A 56 -40.445 -33.021 -2.885 1.00 20.00 H new ATOM 0 HB3 MET A 56 -40.325 -31.641 -3.958 1.00 20.00 H new ATOM 0 HG2 MET A 56 -39.911 -33.232 -5.868 1.00 20.00 H new ATOM 0 HG3 MET A 56 -40.188 -34.566 -4.766 1.00 20.00 H new ATOM 0 HE1 MET A 56 -43.476 -34.488 -6.958 1.00 20.00 H new ATOM 0 HE2 MET A 56 -41.824 -34.097 -7.495 1.00 20.00 H new ATOM 0 HE3 MET A 56 -42.103 -35.476 -6.405 1.00 20.00 H new ATOM 1031 N ARG A 57 -37.504 -30.965 -5.076 1.00 20.00 N ATOM 1032 CA ARG A 57 -36.847 -30.463 -6.275 1.00 20.00 C ATOM 1033 C ARG A 57 -35.355 -30.798 -6.245 1.00 20.00 C ATOM 1034 O ARG A 57 -34.691 -30.825 -7.282 1.00 20.00 O ATOM 1035 CB ARG A 57 -37.059 -28.949 -6.388 1.00 20.00 C ATOM 1036 CG ARG A 57 -36.509 -28.339 -7.666 1.00 20.00 C ATOM 1037 CD ARG A 57 -36.829 -26.856 -7.756 1.00 20.00 C ATOM 1038 NE ARG A 57 -38.267 -26.612 -7.870 1.00 20.00 N ATOM 1039 CZ ARG A 57 -38.828 -25.406 -7.790 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -38.088 -24.341 -7.511 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -40.133 -25.271 -7.972 1.00 20.00 N ATOM 0 H ARG A 57 -37.744 -30.244 -4.396 1.00 20.00 H new ATOM 0 HA ARG A 57 -37.286 -30.945 -7.149 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -38.126 -28.737 -6.327 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -36.588 -28.462 -5.534 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -35.429 -28.483 -7.704 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -36.930 -28.856 -8.528 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -36.444 -26.348 -6.872 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -36.319 -26.427 -8.618 1.00 20.00 H new ATOM 0 HE ARG A 57 -38.878 -27.415 -8.020 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -37.085 -24.443 -7.357 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -38.522 -23.420 -7.451 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -40.707 -26.090 -8.173 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -40.564 -24.348 -7.911 1.00 20.00 H new