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 K(o=0,f=-0.57) USER MOD Single : A 19 ASN : amide:sc=-0.00121 K(o=-0.0012,f=-0.94) USER MOD Single : A 20 SER OG : rot 72:sc= 0.228 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 49 MET CE :methyl 161:sc= -0.091 (180deg=-0.547) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0465) USER MOD Single : A 56 MET CE :methyl 129:sc= -0.152 (180deg=-0.807) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -29.973 0.980 4.150 1.00 20.00 N ATOM 365 CA GLU A 16 -30.493 0.217 3.028 1.00 20.00 C ATOM 366 C GLU A 16 -29.401 -0.678 2.450 1.00 20.00 C ATOM 367 O GLU A 16 -29.624 -1.859 2.175 1.00 20.00 O ATOM 368 CB GLU A 16 -31.016 1.182 1.961 1.00 20.00 C ATOM 369 CG GLU A 16 -31.544 0.506 0.708 1.00 20.00 C ATOM 370 CD GLU A 16 -31.864 1.506 -0.381 1.00 20.00 C ATOM 371 OE1 GLU A 16 -30.938 1.901 -1.119 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.038 1.914 -0.502 1.00 20.00 O ATOM 0 HA GLU A 16 -31.311 -0.419 3.367 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.812 1.788 2.395 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.213 1.864 1.680 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.805 -0.206 0.341 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.441 -0.063 0.953 1.00 20.00 H new ATOM 379 N GLN A 17 -28.213 -0.104 2.297 1.00 20.00 N ATOM 380 CA GLN A 17 -27.062 -0.823 1.766 1.00 20.00 C ATOM 381 C GLN A 17 -26.697 -2.005 2.662 1.00 20.00 C ATOM 382 O GLN A 17 -26.319 -3.073 2.176 1.00 20.00 O ATOM 383 CB GLN A 17 -25.868 0.128 1.636 1.00 20.00 C ATOM 384 CG GLN A 17 -24.634 -0.506 1.014 1.00 20.00 C ATOM 385 CD GLN A 17 -23.462 0.453 0.944 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.643 1.665 0.837 1.00 20.00 O ATOM 387 NE2 GLN A 17 -22.253 -0.081 0.990 1.00 20.00 N ATOM 0 H GLN A 17 -28.021 0.869 2.537 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.322 -1.210 0.781 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.165 0.986 1.034 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.609 0.507 2.625 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.348 -1.383 1.595 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.875 -0.854 0.010 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -22.145 -1.091 1.079 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -21.429 0.517 0.936 1.00 20.00 H new ATOM 396 N GLU A 18 -26.833 -1.817 3.970 1.00 20.00 N ATOM 397 CA GLU A 18 -26.496 -2.862 4.931 1.00 20.00 C ATOM 398 C GLU A 18 -27.443 -4.046 4.778 1.00 20.00 C ATOM 399 O GLU A 18 -27.031 -5.201 4.868 1.00 20.00 O ATOM 400 CB GLU A 18 -26.563 -2.321 6.363 1.00 20.00 C ATOM 401 CG GLU A 18 -26.137 -3.325 7.422 1.00 20.00 C ATOM 402 CD GLU A 18 -26.406 -2.834 8.825 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.597 -2.043 9.350 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.430 -3.236 9.413 1.00 20.00 O ATOM 0 H GLU A 18 -27.174 -0.952 4.389 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.477 -3.194 4.731 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -25.928 -1.438 6.437 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.583 -1.999 6.572 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.666 -4.264 7.261 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.073 -3.535 7.312 1.00 20.00 H new ATOM 411 N ASN A 19 -28.709 -3.749 4.522 1.00 20.00 N ATOM 412 CA ASN A 19 -29.721 -4.787 4.363 1.00 20.00 C ATOM 413 C ASN A 19 -29.474 -5.592 3.093 1.00 20.00 C ATOM 414 O ASN A 19 -29.769 -6.788 3.036 1.00 20.00 O ATOM 415 CB ASN A 19 -31.127 -4.179 4.349 1.00 20.00 C ATOM 416 CG ASN A 19 -31.498 -3.551 5.680 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.005 -3.960 6.734 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.377 -2.561 5.651 1.00 20.00 N ATOM 0 H ASN A 19 -29.061 -2.797 4.420 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.649 -5.462 5.216 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.186 -3.424 3.565 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.853 -4.954 4.101 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.667 -2.111 6.519 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.764 -2.249 4.761 1.00 20.00 H new ATOM 425 N SER A 20 -28.916 -4.935 2.081 1.00 20.00 N ATOM 426 CA SER A 20 -28.535 -5.611 0.849 1.00 20.00 C ATOM 427 C SER A 20 -27.315 -6.496 1.100 1.00 20.00 C ATOM 428 O SER A 20 -27.213 -7.604 0.574 1.00 20.00 O ATOM 429 CB SER A 20 -28.229 -4.583 -0.245 1.00 20.00 C ATOM 430 OG SER A 20 -29.270 -3.623 -0.345 1.00 20.00 O ATOM 0 H SER A 20 -28.718 -3.934 2.091 1.00 20.00 H new ATOM 0 HA SER A 20 -29.363 -6.236 0.516 1.00 20.00 H new ATOM 0 HB2 SER A 20 -27.287 -4.081 -0.025 1.00 20.00 H new ATOM 0 HB3 SER A 20 -28.104 -5.090 -1.202 1.00 20.00 H new ATOM 0 HG SER A 20 -29.239 -3.025 0.431 1.00 20.00 H new ATOM 436 N TYR A 21 -26.405 -6.000 1.930 1.00 20.00 N ATOM 437 CA TYR A 21 -25.204 -6.738 2.297 1.00 20.00 C ATOM 438 C TYR A 21 -25.576 -7.959 3.133 1.00 20.00 C ATOM 439 O TYR A 21 -24.969 -9.024 3.010 1.00 20.00 O ATOM 440 CB TYR A 21 -24.250 -5.822 3.074 1.00 20.00 C ATOM 441 CG TYR A 21 -22.956 -6.482 3.501 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.971 -6.787 2.571 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.718 -6.793 4.835 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.788 -7.385 2.956 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.535 -7.389 5.227 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.575 -7.683 4.284 1.00 20.00 C ATOM 447 OH TYR A 21 -19.394 -8.273 4.671 1.00 20.00 O ATOM 0 H TYR A 21 -26.478 -5.080 2.365 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.701 -7.080 1.393 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.015 -4.955 2.456 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.764 -5.451 3.961 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.133 -6.552 1.529 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.470 -6.565 5.576 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.033 -7.618 2.220 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.364 -7.623 6.267 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.402 -8.416 5.641 1.00 20.00 H new ATOM 457 N ASN A 22 -26.594 -7.790 3.968 1.00 20.00 N ATOM 458 CA ASN A 22 -27.096 -8.864 4.820 1.00 20.00 C ATOM 459 C ASN A 22 -27.552 -10.060 3.989 1.00 20.00 C ATOM 460 O ASN A 22 -27.402 -11.210 4.401 1.00 20.00 O ATOM 461 CB ASN A 22 -28.251 -8.355 5.688 1.00 20.00 C ATOM 462 CG ASN A 22 -28.885 -9.454 6.521 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.832 -10.106 6.088 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.375 -9.662 7.723 1.00 20.00 N ATOM 0 H ASN A 22 -27.094 -6.908 4.074 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.281 -9.191 5.466 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.885 -7.569 6.349 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.010 -7.905 5.048 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.768 -10.385 8.326 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -27.588 -9.100 8.047 1.00 20.00 H new ATOM 471 N GLU A 23 -28.084 -9.785 2.806 1.00 20.00 N ATOM 472 CA GLU A 23 -28.565 -10.839 1.926 1.00 20.00 C ATOM 473 C GLU A 23 -27.410 -11.712 1.447 1.00 20.00 C ATOM 474 O GLU A 23 -27.558 -12.924 1.287 1.00 20.00 O ATOM 475 CB GLU A 23 -29.308 -10.244 0.730 1.00 20.00 C ATOM 476 CG GLU A 23 -30.558 -9.471 1.114 1.00 20.00 C ATOM 477 CD GLU A 23 -31.344 -9.012 -0.092 1.00 20.00 C ATOM 478 OE1 GLU A 23 -32.054 -9.844 -0.692 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.260 -7.820 -0.448 1.00 20.00 O ATOM 0 H GLU A 23 -28.193 -8.841 2.434 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.258 -11.462 2.492 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.634 -9.582 0.187 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.583 -11.048 0.047 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -31.192 -10.099 1.740 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.277 -8.604 1.712 1.00 20.00 H new ATOM 486 N TRP A 24 -26.253 -11.094 1.250 1.00 20.00 N ATOM 487 CA TRP A 24 -25.074 -11.813 0.787 1.00 20.00 C ATOM 488 C TRP A 24 -24.449 -12.615 1.922 1.00 20.00 C ATOM 489 O TRP A 24 -23.747 -13.599 1.685 1.00 20.00 O ATOM 490 CB TRP A 24 -24.045 -10.845 0.200 1.00 20.00 C ATOM 491 CG TRP A 24 -24.562 -10.065 -0.969 1.00 20.00 C ATOM 492 CD1 TRP A 24 -25.365 -10.525 -1.973 1.00 20.00 C ATOM 493 CD2 TRP A 24 -24.298 -8.691 -1.265 1.00 20.00 C ATOM 494 NE1 TRP A 24 -25.625 -9.516 -2.867 1.00 20.00 N ATOM 495 CE2 TRP A 24 -24.980 -8.382 -2.456 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.554 -7.691 -0.636 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -24.939 -7.113 -3.030 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -23.511 -6.434 -1.207 1.00 20.00 C ATOM 499 CH2 TRP A 24 -24.200 -6.154 -2.392 1.00 20.00 C ATOM 0 H TRP A 24 -26.106 -10.096 1.404 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.389 -12.504 0.005 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.725 -10.151 0.977 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.163 -11.407 -0.109 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -25.741 -11.535 -2.052 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -26.205 -9.599 -3.702 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.021 -7.897 0.281 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -25.471 -6.894 -3.944 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.936 -5.654 -0.731 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -24.148 -5.160 -2.812 1.00 20.00 H new ATOM 510 N LEU A 25 -24.727 -12.206 3.155 1.00 20.00 N ATOM 511 CA LEU A 25 -24.190 -12.884 4.328 1.00 20.00 C ATOM 512 C LEU A 25 -24.761 -14.292 4.453 1.00 20.00 C ATOM 513 O LEU A 25 -24.161 -15.165 5.080 1.00 20.00 O ATOM 514 CB LEU A 25 -24.486 -12.083 5.599 1.00 20.00 C ATOM 515 CG LEU A 25 -23.772 -10.732 5.703 1.00 20.00 C ATOM 516 CD1 LEU A 25 -24.188 -10.004 6.975 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.262 -10.920 5.672 1.00 20.00 C ATOM 0 H LEU A 25 -25.323 -11.406 3.368 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.110 -12.959 4.204 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.561 -11.913 5.659 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.210 -12.688 6.463 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.063 -10.126 4.845 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.671 -9.046 7.032 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -25.265 -9.835 6.962 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.927 -10.610 7.843 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.773 -9.949 5.747 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.956 -11.546 6.510 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.974 -11.400 4.737 1.00 20.00 H new ATOM 529 N ARG A 26 -25.914 -14.514 3.829 1.00 20.00 N ATOM 530 CA ARG A 26 -26.553 -15.827 3.836 1.00 20.00 C ATOM 531 C ARG A 26 -25.697 -16.849 3.091 1.00 20.00 C ATOM 532 O ARG A 26 -25.843 -18.055 3.280 1.00 20.00 O ATOM 533 CB ARG A 26 -27.943 -15.753 3.197 1.00 20.00 C ATOM 534 CG ARG A 26 -28.918 -14.853 3.941 1.00 20.00 C ATOM 535 CD ARG A 26 -30.269 -14.794 3.240 1.00 20.00 C ATOM 536 NE ARG A 26 -30.910 -16.107 3.161 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.163 -16.300 2.747 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.915 -15.269 2.382 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.667 -17.526 2.699 1.00 20.00 N ATOM 0 H ARG A 26 -26.426 -13.800 3.311 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.656 -16.144 4.874 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.842 -15.394 2.173 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.361 -16.758 3.143 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.051 -15.221 4.958 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.502 -13.848 4.017 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.923 -14.104 3.773 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.137 -14.395 2.234 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.366 -16.924 3.439 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.535 -14.323 2.417 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.873 -15.423 2.066 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.096 -18.323 2.979 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.626 -17.671 2.382 1.00 20.00 H new ATOM 553 N ALA A 27 -24.799 -16.357 2.249 1.00 20.00 N ATOM 554 CA ALA A 27 -23.923 -17.221 1.476 1.00 20.00 C ATOM 555 C ALA A 27 -22.631 -17.511 2.229 1.00 20.00 C ATOM 556 O ALA A 27 -21.899 -18.442 1.891 1.00 20.00 O ATOM 557 CB ALA A 27 -23.613 -16.584 0.132 1.00 20.00 C ATOM 0 H ALA A 27 -24.659 -15.360 2.085 1.00 20.00 H new ATOM 0 HA ALA A 27 -24.439 -18.167 1.313 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -22.956 -17.240 -0.439 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -24.540 -16.430 -0.420 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.120 -15.625 0.289 1.00 20.00 H new ATOM 563 N LYS A 28 -22.362 -16.723 3.263 1.00 20.00 N ATOM 564 CA LYS A 28 -21.123 -16.857 4.021 1.00 20.00 C ATOM 565 C LYS A 28 -21.169 -18.090 4.915 1.00 20.00 C ATOM 566 O LYS A 28 -20.155 -18.759 5.122 1.00 20.00 O ATOM 567 CB LYS A 28 -20.866 -15.602 4.865 1.00 20.00 C ATOM 568 CG LYS A 28 -19.574 -15.660 5.669 1.00 20.00 C ATOM 569 CD LYS A 28 -19.392 -14.425 6.539 1.00 20.00 C ATOM 570 CE LYS A 28 -20.490 -14.299 7.590 1.00 20.00 C ATOM 571 NZ LYS A 28 -20.244 -13.169 8.524 1.00 20.00 N ATOM 0 H LYS A 28 -22.983 -15.986 3.596 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.304 -16.973 3.311 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.836 -14.733 4.208 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.703 -15.457 5.548 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.577 -16.550 6.298 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.727 -15.753 4.989 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.421 -14.469 7.033 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.389 -13.535 5.909 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -21.450 -14.157 7.095 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -20.558 -15.228 8.156 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -21.014 -13.121 9.221 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -19.340 -13.316 9.017 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -20.205 -12.278 7.989 1.00 20.00 H new ATOM 585 N VAL A 29 -22.353 -18.391 5.431 1.00 20.00 N ATOM 586 CA VAL A 29 -22.546 -19.557 6.287 1.00 20.00 C ATOM 587 C VAL A 29 -22.545 -20.841 5.453 1.00 20.00 C ATOM 588 O VAL A 29 -22.474 -21.952 5.985 1.00 20.00 O ATOM 589 CB VAL A 29 -23.863 -19.447 7.092 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.076 -19.557 6.179 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.921 -20.491 8.198 1.00 20.00 C ATOM 0 H VAL A 29 -23.198 -17.842 5.272 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.716 -19.593 6.993 1.00 20.00 H new ATOM 0 HB VAL A 29 -23.882 -18.462 7.559 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.987 -19.476 6.773 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.051 -18.754 5.442 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.060 -20.519 5.668 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.858 -20.389 8.746 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.863 -21.488 7.761 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.084 -20.345 8.880 1.00 20.00 H new ATOM 772 N HIS A 42 -18.860 -47.708 1.089 1.00 20.00 N ATOM 773 CA HIS A 42 -18.655 -48.610 2.217 1.00 20.00 C ATOM 774 C HIS A 42 -17.510 -48.120 3.098 1.00 20.00 C ATOM 775 O HIS A 42 -17.363 -48.560 4.234 1.00 20.00 O ATOM 776 CB HIS A 42 -18.400 -50.059 1.753 1.00 20.00 C ATOM 777 CG HIS A 42 -17.115 -50.279 0.999 1.00 20.00 C ATOM 778 ND1 HIS A 42 -17.065 -50.494 -0.360 1.00 20.00 N ATOM 779 CD2 HIS A 42 -15.830 -50.345 1.431 1.00 20.00 C ATOM 780 CE1 HIS A 42 -15.813 -50.683 -0.728 1.00 20.00 C ATOM 781 NE2 HIS A 42 -15.042 -50.597 0.338 1.00 20.00 N ATOM 0 HA HIS A 42 -19.573 -48.610 2.805 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -18.404 -50.709 2.628 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -19.231 -50.372 1.120 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -15.491 -50.222 2.449 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -15.475 -50.876 -1.735 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -14.027 -50.701 0.348 1.00 20.00 H new ATOM 790 N ASP A 43 -16.705 -47.204 2.566 1.00 20.00 N ATOM 791 CA ASP A 43 -15.611 -46.615 3.334 1.00 20.00 C ATOM 792 C ASP A 43 -16.147 -45.735 4.457 1.00 20.00 C ATOM 793 O ASP A 43 -15.457 -45.485 5.446 1.00 20.00 O ATOM 794 CB ASP A 43 -14.663 -45.812 2.440 1.00 20.00 C ATOM 795 CG ASP A 43 -13.765 -46.703 1.603 1.00 20.00 C ATOM 796 OD1 ASP A 43 -12.825 -47.305 2.167 1.00 20.00 O ATOM 797 OD2 ASP A 43 -13.990 -46.804 0.380 1.00 20.00 O ATOM 0 H ASP A 43 -16.788 -46.855 1.611 1.00 20.00 H new ATOM 0 HA ASP A 43 -15.045 -47.437 3.773 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -15.247 -45.168 1.782 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -14.048 -45.160 3.060 1.00 20.00 H new ATOM 802 N GLU A 44 -17.381 -45.271 4.309 1.00 20.00 N ATOM 803 CA GLU A 44 -18.035 -44.513 5.368 1.00 20.00 C ATOM 804 C GLU A 44 -18.375 -45.447 6.521 1.00 20.00 C ATOM 805 O GLU A 44 -18.189 -45.111 7.689 1.00 20.00 O ATOM 806 CB GLU A 44 -19.297 -43.821 4.847 1.00 20.00 C ATOM 807 CG GLU A 44 -19.013 -42.668 3.896 1.00 20.00 C ATOM 808 CD GLU A 44 -18.348 -41.493 4.586 1.00 20.00 C ATOM 809 OE1 GLU A 44 -17.112 -41.509 4.743 1.00 20.00 O ATOM 810 OE2 GLU A 44 -19.061 -40.546 4.976 1.00 20.00 O ATOM 0 H GLU A 44 -17.947 -45.405 3.471 1.00 20.00 H new ATOM 0 HA GLU A 44 -17.354 -43.738 5.720 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -19.920 -44.556 4.337 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -19.873 -43.448 5.694 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -18.373 -43.019 3.086 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -19.947 -42.337 3.443 1.00 20.00 H new ATOM 817 N VAL A 45 -18.834 -46.642 6.170 1.00 20.00 N ATOM 818 CA VAL A 45 -19.152 -47.672 7.151 1.00 20.00 C ATOM 819 C VAL A 45 -17.892 -48.090 7.904 1.00 20.00 C ATOM 820 O VAL A 45 -17.931 -48.383 9.102 1.00 20.00 O ATOM 821 CB VAL A 45 -19.782 -48.908 6.473 1.00 20.00 C ATOM 822 CG1 VAL A 45 -20.125 -49.980 7.496 1.00 20.00 C ATOM 823 CG2 VAL A 45 -21.017 -48.509 5.684 1.00 20.00 C ATOM 0 H VAL A 45 -18.996 -46.923 5.203 1.00 20.00 H new ATOM 0 HA VAL A 45 -19.874 -47.255 7.853 1.00 20.00 H new ATOM 0 HB VAL A 45 -19.048 -49.325 5.784 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -20.567 -50.838 6.990 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -19.218 -50.292 8.014 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -20.836 -49.579 8.218 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -21.449 -49.392 5.213 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -21.749 -48.062 6.356 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -20.741 -47.786 4.916 1.00 20.00 H new ATOM 833 N GLU A 46 -16.772 -48.095 7.192 1.00 20.00 N ATOM 834 CA GLU A 46 -15.484 -48.432 7.783 1.00 20.00 C ATOM 835 C GLU A 46 -15.160 -47.506 8.947 1.00 20.00 C ATOM 836 O GLU A 46 -14.725 -47.959 10.004 1.00 20.00 O ATOM 837 CB GLU A 46 -14.364 -48.353 6.743 1.00 20.00 C ATOM 838 CG GLU A 46 -14.593 -49.230 5.522 1.00 20.00 C ATOM 839 CD GLU A 46 -14.732 -50.694 5.872 1.00 20.00 C ATOM 840 OE1 GLU A 46 -13.697 -51.386 5.986 1.00 20.00 O ATOM 841 OE2 GLU A 46 -15.873 -51.166 6.027 1.00 20.00 O ATOM 0 H GLU A 46 -16.731 -47.868 6.198 1.00 20.00 H new ATOM 0 HA GLU A 46 -15.553 -49.456 8.151 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -14.255 -47.318 6.419 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -13.424 -48.641 7.214 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -15.493 -48.897 5.005 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -13.762 -49.104 4.828 1.00 20.00 H new ATOM 848 N ARG A 47 -15.387 -46.208 8.771 1.00 20.00 N ATOM 849 CA ARG A 47 -15.055 -45.255 9.819 1.00 20.00 C ATOM 850 C ARG A 47 -16.131 -45.211 10.891 1.00 20.00 C ATOM 851 O ARG A 47 -15.877 -44.750 12.001 1.00 20.00 O ATOM 852 CB ARG A 47 -14.776 -43.849 9.266 1.00 20.00 C ATOM 853 CG ARG A 47 -15.969 -43.153 8.630 1.00 20.00 C ATOM 854 CD ARG A 47 -15.634 -41.706 8.290 1.00 20.00 C ATOM 855 NE ARG A 47 -16.720 -41.027 7.589 1.00 20.00 N ATOM 856 CZ ARG A 47 -17.084 -39.766 7.820 1.00 20.00 C ATOM 857 NH1 ARG A 47 -16.467 -39.052 8.755 1.00 20.00 N ATOM 858 NH2 ARG A 47 -18.058 -39.219 7.104 1.00 20.00 N ATOM 0 H ARG A 47 -15.792 -45.799 7.929 1.00 20.00 H new ATOM 0 HA ARG A 47 -14.132 -45.609 10.278 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -14.402 -43.225 10.078 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -13.980 -43.919 8.525 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -16.266 -43.684 7.726 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -16.819 -43.184 9.311 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -15.405 -41.165 9.208 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -14.736 -41.680 7.672 1.00 20.00 H new ATOM 0 HE ARG A 47 -17.232 -41.550 6.879 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -15.712 -39.469 9.299 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -16.749 -38.087 8.929 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -18.526 -39.763 6.379 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -18.339 -38.254 7.278 1.00 20.00 H new ATOM 872 N ARG A 48 -17.325 -45.687 10.563 1.00 20.00 N ATOM 873 CA ARG A 48 -18.378 -45.827 11.560 1.00 20.00 C ATOM 874 C ARG A 48 -17.919 -46.775 12.664 1.00 20.00 C ATOM 875 O ARG A 48 -17.954 -46.434 13.844 1.00 20.00 O ATOM 876 CB ARG A 48 -19.668 -46.362 10.928 1.00 20.00 C ATOM 877 CG ARG A 48 -20.298 -45.443 9.886 1.00 20.00 C ATOM 878 CD ARG A 48 -21.048 -44.271 10.507 1.00 20.00 C ATOM 879 NE ARG A 48 -20.158 -43.267 11.094 1.00 20.00 N ATOM 880 CZ ARG A 48 -20.561 -42.057 11.476 1.00 20.00 C ATOM 881 NH1 ARG A 48 -21.831 -41.699 11.327 1.00 20.00 N ATOM 882 NH2 ARG A 48 -19.695 -41.202 12.004 1.00 20.00 N ATOM 0 H ARG A 48 -17.587 -45.981 9.622 1.00 20.00 H new ATOM 0 HA ARG A 48 -18.583 -44.842 11.980 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -19.456 -47.325 10.463 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -20.395 -46.544 11.719 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -19.519 -45.061 9.227 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -20.985 -46.020 9.267 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -21.667 -43.798 9.744 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -21.722 -44.646 11.277 1.00 20.00 H new ATOM 0 HE ARG A 48 -19.175 -43.508 11.217 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -22.500 -42.352 10.919 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -22.137 -40.771 11.621 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -18.718 -41.471 12.118 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -20.006 -40.276 12.296 1.00 20.00 H new ATOM 896 N MET A 49 -17.481 -47.966 12.269 1.00 20.00 N ATOM 897 CA MET A 49 -17.066 -48.982 13.231 1.00 20.00 C ATOM 898 C MET A 49 -15.563 -48.934 13.546 1.00 20.00 C ATOM 899 O MET A 49 -15.173 -48.858 14.711 1.00 20.00 O ATOM 900 CB MET A 49 -17.470 -50.381 12.741 1.00 20.00 C ATOM 901 CG MET A 49 -16.920 -50.751 11.376 1.00 20.00 C ATOM 902 SD MET A 49 -17.398 -52.413 10.859 1.00 20.00 S ATOM 903 CE MET A 49 -19.180 -52.243 10.747 1.00 20.00 C ATOM 0 H MET A 49 -17.404 -48.251 11.293 1.00 20.00 H new ATOM 0 HA MET A 49 -17.586 -48.761 14.163 1.00 20.00 H new ATOM 0 HB2 MET A 49 -17.131 -51.119 13.468 1.00 20.00 H new ATOM 0 HB3 MET A 49 -18.558 -50.441 12.709 1.00 20.00 H new ATOM 0 HG2 MET A 49 -17.273 -50.030 10.639 1.00 20.00 H new ATOM 0 HG3 MET A 49 -15.833 -50.680 11.396 1.00 20.00 H new ATOM 0 HE1 MET A 49 -19.584 -53.047 10.132 1.00 20.00 H new ATOM 0 HE2 MET A 49 -19.614 -52.296 11.745 1.00 20.00 H new ATOM 0 HE3 MET A 49 -19.426 -51.282 10.295 1.00 20.00 H new ATOM 913 N ALA A 50 -14.722 -48.984 12.516 1.00 20.00 N ATOM 914 CA ALA A 50 -13.285 -49.169 12.705 1.00 20.00 C ATOM 915 C ALA A 50 -12.514 -47.852 12.809 1.00 20.00 C ATOM 916 O ALA A 50 -11.958 -47.539 13.862 1.00 20.00 O ATOM 917 CB ALA A 50 -12.718 -50.024 11.582 1.00 20.00 C ATOM 0 H ALA A 50 -15.011 -48.899 11.541 1.00 20.00 H new ATOM 0 HA ALA A 50 -13.158 -49.678 13.661 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -11.646 -50.157 11.731 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -13.208 -50.998 11.583 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -12.893 -49.531 10.626 1.00 20.00 H new ATOM 923 N GLU A 51 -12.497 -47.078 11.721 1.00 20.00 N ATOM 924 CA GLU A 51 -11.618 -45.904 11.621 1.00 20.00 C ATOM 925 C GLU A 51 -11.944 -44.850 12.678 1.00 20.00 C ATOM 926 O GLU A 51 -11.145 -43.946 12.919 1.00 20.00 O ATOM 927 CB GLU A 51 -11.652 -45.271 10.225 1.00 20.00 C ATOM 928 CG GLU A 51 -11.394 -46.248 9.087 1.00 20.00 C ATOM 929 CD GLU A 51 -11.187 -45.548 7.759 1.00 20.00 C ATOM 930 OE1 GLU A 51 -12.184 -45.229 7.079 1.00 20.00 O ATOM 931 OE2 GLU A 51 -10.019 -45.311 7.385 1.00 20.00 O ATOM 0 H GLU A 51 -13.078 -47.240 10.899 1.00 20.00 H new ATOM 0 HA GLU A 51 -10.608 -46.272 11.804 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -12.626 -44.805 10.074 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -10.908 -44.476 10.181 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -10.514 -46.848 9.319 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -12.236 -46.936 9.005 1.00 20.00 H new ATOM 938 N ARG A 52 -13.129 -44.943 13.281 1.00 20.00 N ATOM 939 CA ARG A 52 -13.502 -44.053 14.381 1.00 20.00 C ATOM 940 C ARG A 52 -12.452 -44.096 15.491 1.00 20.00 C ATOM 941 O ARG A 52 -12.267 -43.121 16.219 1.00 20.00 O ATOM 942 CB ARG A 52 -14.871 -44.424 14.961 1.00 20.00 C ATOM 943 CG ARG A 52 -14.905 -45.780 15.645 1.00 20.00 C ATOM 944 CD ARG A 52 -16.215 -45.997 16.384 1.00 20.00 C ATOM 945 NE ARG A 52 -16.304 -47.344 16.941 1.00 20.00 N ATOM 946 CZ ARG A 52 -17.239 -47.735 17.806 1.00 20.00 C ATOM 947 NH1 ARG A 52 -18.154 -46.876 18.240 1.00 20.00 N ATOM 948 NH2 ARG A 52 -17.257 -48.988 18.238 1.00 20.00 N ATOM 0 H ARG A 52 -13.845 -45.623 13.028 1.00 20.00 H new ATOM 0 HA ARG A 52 -13.558 -43.043 13.975 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -15.170 -43.659 15.678 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -15.609 -44.415 14.159 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -14.770 -46.567 14.903 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -14.074 -45.856 16.346 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -16.306 -45.265 17.186 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -17.049 -45.829 15.703 1.00 20.00 H new ATOM 0 HE ARG A 52 -15.606 -48.029 16.649 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -18.144 -45.911 17.911 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -18.867 -47.182 18.902 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -16.556 -49.651 17.908 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -17.972 -49.289 18.900 1.00 20.00 H new ATOM 962 N PHE A 53 -11.761 -45.228 15.608 1.00 20.00 N ATOM 963 CA PHE A 53 -10.690 -45.369 16.579 1.00 20.00 C ATOM 964 C PHE A 53 -9.564 -44.393 16.258 1.00 20.00 C ATOM 965 O PHE A 53 -9.044 -43.723 17.141 1.00 20.00 O ATOM 966 CB PHE A 53 -10.170 -46.810 16.602 1.00 20.00 C ATOM 967 CG PHE A 53 -9.057 -47.040 17.591 1.00 20.00 C ATOM 968 CD1 PHE A 53 -9.211 -46.695 18.925 1.00 20.00 C ATOM 969 CD2 PHE A 53 -7.856 -47.597 17.181 1.00 20.00 C ATOM 970 CE1 PHE A 53 -8.188 -46.903 19.831 1.00 20.00 C ATOM 971 CE2 PHE A 53 -6.830 -47.806 18.083 1.00 20.00 C ATOM 972 CZ PHE A 53 -6.997 -47.460 19.410 1.00 20.00 C ATOM 0 H PHE A 53 -11.927 -46.059 15.040 1.00 20.00 H new ATOM 0 HA PHE A 53 -11.081 -45.136 17.570 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -10.996 -47.481 16.837 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -9.818 -47.075 15.605 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -10.141 -46.259 19.260 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -7.720 -47.871 16.145 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -8.320 -46.630 20.868 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -5.898 -48.240 17.751 1.00 20.00 H new ATOM 0 HZ PHE A 53 -6.197 -47.625 20.117 1.00 20.00 H new ATOM 982 N ALA A 54 -9.208 -44.295 14.986 1.00 20.00 N ATOM 983 CA ALA A 54 -8.211 -43.329 14.551 1.00 20.00 C ATOM 984 C ALA A 54 -8.748 -41.914 14.722 1.00 20.00 C ATOM 985 O ALA A 54 -8.021 -40.996 15.100 1.00 20.00 O ATOM 986 CB ALA A 54 -7.825 -43.577 13.103 1.00 20.00 C ATOM 0 H ALA A 54 -9.594 -44.871 14.238 1.00 20.00 H new ATOM 0 HA ALA A 54 -7.320 -43.445 15.167 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -7.078 -42.845 12.795 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -7.412 -44.581 13.003 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -8.707 -43.484 12.470 1.00 20.00 H new ATOM 992 N LYS A 55 -10.039 -41.763 14.455 1.00 20.00 N ATOM 993 CA LYS A 55 -10.722 -40.479 14.569 1.00 20.00 C ATOM 994 C LYS A 55 -10.650 -39.936 15.998 1.00 20.00 C ATOM 995 O LYS A 55 -10.444 -38.738 16.206 1.00 20.00 O ATOM 996 CB LYS A 55 -12.179 -40.635 14.113 1.00 20.00 C ATOM 997 CG LYS A 55 -13.030 -39.380 14.245 1.00 20.00 C ATOM 998 CD LYS A 55 -14.369 -39.556 13.547 1.00 20.00 C ATOM 999 CE LYS A 55 -15.317 -38.398 13.825 1.00 20.00 C ATOM 1000 NZ LYS A 55 -15.825 -38.414 15.223 1.00 20.00 N ATOM 0 H LYS A 55 -10.643 -42.527 14.153 1.00 20.00 H new ATOM 0 HA LYS A 55 -10.221 -39.756 13.925 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -12.186 -40.953 13.070 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -12.642 -41.433 14.693 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -13.192 -39.155 15.299 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -12.500 -38.530 13.815 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -14.208 -39.642 12.472 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -14.829 -40.488 13.876 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -14.802 -37.456 13.638 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -16.158 -38.445 13.133 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -16.579 -37.705 15.327 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -16.204 -39.357 15.444 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -15.048 -38.191 15.877 1.00 20.00 H new ATOM 1014 N MET A 56 -10.793 -40.819 16.979 1.00 20.00 N ATOM 1015 CA MET A 56 -10.748 -40.407 18.378 1.00 20.00 C ATOM 1016 C MET A 56 -9.309 -40.184 18.835 1.00 20.00 C ATOM 1017 O MET A 56 -9.061 -39.471 19.807 1.00 20.00 O ATOM 1018 CB MET A 56 -11.464 -41.432 19.278 1.00 20.00 C ATOM 1019 CG MET A 56 -10.799 -42.800 19.362 1.00 20.00 C ATOM 1020 SD MET A 56 -9.461 -42.879 20.572 1.00 20.00 S ATOM 1021 CE MET A 56 -10.367 -42.647 22.101 1.00 20.00 C ATOM 0 H MET A 56 -10.940 -41.818 16.834 1.00 20.00 H new ATOM 0 HA MET A 56 -11.277 -39.458 18.467 1.00 20.00 H new ATOM 0 HB2 MET A 56 -11.537 -41.019 20.284 1.00 20.00 H new ATOM 0 HB3 MET A 56 -12.483 -41.563 18.913 1.00 20.00 H new ATOM 0 HG2 MET A 56 -11.552 -43.546 19.616 1.00 20.00 H new ATOM 0 HG3 MET A 56 -10.406 -43.065 18.380 1.00 20.00 H new ATOM 0 HE1 MET A 56 -10.100 -43.435 22.805 1.00 20.00 H new ATOM 0 HE2 MET A 56 -10.115 -41.677 22.529 1.00 20.00 H new ATOM 0 HE3 MET A 56 -11.437 -42.688 21.899 1.00 20.00 H new ATOM 1031 N ARG A 57 -8.363 -40.782 18.119 1.00 20.00 N ATOM 1032 CA ARG A 57 -6.949 -40.621 18.438 1.00 20.00 C ATOM 1033 C ARG A 57 -6.424 -39.294 17.903 1.00 20.00 C ATOM 1034 O ARG A 57 -5.608 -38.637 18.547 1.00 20.00 O ATOM 1035 CB ARG A 57 -6.126 -41.776 17.864 1.00 20.00 C ATOM 1036 CG ARG A 57 -6.489 -43.125 18.458 1.00 20.00 C ATOM 1037 CD ARG A 57 -5.726 -44.257 17.793 1.00 20.00 C ATOM 1038 NE ARG A 57 -4.291 -44.185 18.061 1.00 20.00 N ATOM 1039 CZ ARG A 57 -3.394 -45.008 17.522 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -3.770 -45.930 16.645 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -2.114 -44.896 17.847 1.00 20.00 N ATOM 0 H ARG A 57 -8.549 -41.382 17.315 1.00 20.00 H new ATOM 0 HA ARG A 57 -6.849 -40.627 19.523 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -6.268 -41.812 16.784 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -5.068 -41.582 18.040 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -6.275 -43.121 19.527 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -7.560 -43.294 18.348 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -6.113 -45.212 18.148 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -5.895 -44.225 16.717 1.00 20.00 H new ATOM 0 HE ARG A 57 -3.957 -43.462 18.698 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -4.752 -46.011 16.380 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -3.077 -46.557 16.236 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -1.817 -44.180 18.510 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -1.426 -45.526 17.435 1.00 20.00 H new