USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 254 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 GLN : amide:sc= -0.295 K(o=-0.3,f=-3.8!) USER MOD Single : A 19 ASN : amide:sc= -1.38 K(o=-1.4,f=-8.5!) USER MOD Single : A 20 SER OG : rot -104:sc= 1.24 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.425 X(o=0.42,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= -0.0197 (180deg=-0.183) USER MOD Single : A 56 MET CE :methyl -161:sc= -0.146 (180deg=-0.593) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -29.355 0.702 1.330 1.00 20.00 N ATOM 365 CA GLU A 16 -29.748 -0.600 0.816 1.00 20.00 C ATOM 366 C GLU A 16 -28.575 -1.579 0.797 1.00 20.00 C ATOM 367 O GLU A 16 -28.774 -2.786 0.730 1.00 20.00 O ATOM 368 CB GLU A 16 -30.333 -0.455 -0.586 1.00 20.00 C ATOM 369 CG GLU A 16 -31.630 0.338 -0.625 1.00 20.00 C ATOM 370 CD GLU A 16 -32.700 -0.248 0.272 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.379 -1.210 -0.144 1.00 20.00 O ATOM 372 OE2 GLU A 16 -32.871 0.250 1.403 1.00 20.00 O ATOM 0 HA GLU A 16 -30.507 -1.005 1.485 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -29.599 0.032 -1.228 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.511 -1.447 -1.001 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -31.432 1.366 -0.323 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.999 0.372 -1.650 1.00 20.00 H new ATOM 379 N GLN A 17 -27.354 -1.063 0.853 1.00 20.00 N ATOM 380 CA GLN A 17 -26.173 -1.920 0.919 1.00 20.00 C ATOM 381 C GLN A 17 -26.089 -2.599 2.282 1.00 20.00 C ATOM 382 O GLN A 17 -25.554 -3.699 2.409 1.00 20.00 O ATOM 383 CB GLN A 17 -24.880 -1.126 0.677 1.00 20.00 C ATOM 384 CG GLN A 17 -24.758 -0.496 -0.707 1.00 20.00 C ATOM 385 CD GLN A 17 -25.691 0.681 -0.909 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.053 1.372 0.044 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.079 0.928 -2.148 1.00 20.00 N ATOM 0 H GLN A 17 -27.154 -0.063 0.854 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.273 -2.669 0.133 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -24.811 -0.337 1.426 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -24.030 -1.790 0.834 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -23.730 -0.168 -0.861 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.968 -1.252 -1.464 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.758 0.333 -2.911 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -26.700 1.714 -2.341 1.00 20.00 H new ATOM 396 N GLU A 18 -26.645 -1.946 3.293 1.00 20.00 N ATOM 397 CA GLU A 18 -26.507 -2.405 4.668 1.00 20.00 C ATOM 398 C GLU A 18 -27.578 -3.430 5.025 1.00 20.00 C ATOM 399 O GLU A 18 -27.319 -4.366 5.782 1.00 20.00 O ATOM 400 CB GLU A 18 -26.570 -1.218 5.630 1.00 20.00 C ATOM 401 CG GLU A 18 -25.470 -0.191 5.406 1.00 20.00 C ATOM 402 CD GLU A 18 -25.593 1.000 6.328 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.024 0.959 7.438 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.263 1.983 5.948 1.00 20.00 O ATOM 0 H GLU A 18 -27.197 -1.095 3.186 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.536 -2.891 4.762 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.538 -0.729 5.526 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.507 -1.587 6.654 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -24.500 -0.664 5.557 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.501 0.150 4.371 1.00 20.00 H new ATOM 411 N ASN A 19 -28.775 -3.264 4.483 1.00 20.00 N ATOM 412 CA ASN A 19 -29.854 -4.201 4.771 1.00 20.00 C ATOM 413 C ASN A 19 -29.705 -5.477 3.947 1.00 20.00 C ATOM 414 O ASN A 19 -30.011 -6.569 4.429 1.00 20.00 O ATOM 415 CB ASN A 19 -31.239 -3.552 4.580 1.00 20.00 C ATOM 416 CG ASN A 19 -31.447 -2.890 3.226 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.939 -3.338 2.206 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.203 -1.805 3.216 1.00 20.00 N ATOM 0 H ASN A 19 -29.023 -2.503 3.851 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.780 -4.479 5.822 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -32.005 -4.315 4.718 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.387 -2.806 5.361 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.379 -1.314 2.339 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.611 -1.459 4.085 1.00 20.00 H new ATOM 425 N SER A 20 -29.188 -5.347 2.728 1.00 20.00 N ATOM 426 CA SER A 20 -28.928 -6.509 1.887 1.00 20.00 C ATOM 427 C SER A 20 -27.668 -7.226 2.360 1.00 20.00 C ATOM 428 O SER A 20 -27.409 -8.370 1.988 1.00 20.00 O ATOM 429 CB SER A 20 -28.788 -6.095 0.419 1.00 20.00 C ATOM 430 OG SER A 20 -27.779 -5.113 0.254 1.00 20.00 O ATOM 0 H SER A 20 -28.942 -4.453 2.303 1.00 20.00 H new ATOM 0 HA SER A 20 -29.774 -7.192 1.969 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.550 -6.970 -0.186 1.00 20.00 H new ATOM 0 HB3 SER A 20 -29.740 -5.706 0.056 1.00 20.00 H new ATOM 0 HG SER A 20 -28.195 -4.237 0.115 1.00 20.00 H new ATOM 436 N TYR A 21 -26.906 -6.543 3.204 1.00 20.00 N ATOM 437 CA TYR A 21 -25.695 -7.103 3.790 1.00 20.00 C ATOM 438 C TYR A 21 -26.026 -8.348 4.610 1.00 20.00 C ATOM 439 O TYR A 21 -25.213 -9.266 4.722 1.00 20.00 O ATOM 440 CB TYR A 21 -25.002 -6.050 4.661 1.00 20.00 C ATOM 441 CG TYR A 21 -23.795 -6.558 5.419 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.597 -6.818 4.766 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.857 -6.779 6.790 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.495 -7.280 5.458 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.761 -7.241 7.487 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.583 -7.489 6.819 1.00 20.00 C ATOM 447 OH TYR A 21 -20.491 -7.953 7.512 1.00 20.00 O ATOM 0 H TYR A 21 -27.109 -5.588 3.501 1.00 20.00 H new ATOM 0 HA TYR A 21 -25.016 -7.395 2.989 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.694 -5.218 4.027 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.724 -5.655 5.376 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.526 -6.656 3.701 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.779 -6.586 7.318 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.570 -7.477 4.937 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.826 -7.408 8.552 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.720 -8.045 8.460 1.00 20.00 H new ATOM 457 N ASN A 22 -27.233 -8.383 5.166 1.00 20.00 N ATOM 458 CA ASN A 22 -27.690 -9.548 5.917 1.00 20.00 C ATOM 459 C ASN A 22 -27.845 -10.744 4.988 1.00 20.00 C ATOM 460 O ASN A 22 -27.556 -11.881 5.363 1.00 20.00 O ATOM 461 CB ASN A 22 -29.019 -9.268 6.627 1.00 20.00 C ATOM 462 CG ASN A 22 -28.898 -8.206 7.703 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.542 -8.503 8.846 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.216 -6.967 7.358 1.00 20.00 N ATOM 0 H ASN A 22 -27.910 -7.622 5.111 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.939 -9.772 6.675 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.759 -8.951 5.892 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.389 -10.191 7.074 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.171 -6.218 8.049 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.506 -6.762 6.402 1.00 20.00 H new ATOM 471 N GLU A 23 -28.285 -10.479 3.764 1.00 20.00 N ATOM 472 CA GLU A 23 -28.437 -11.529 2.773 1.00 20.00 C ATOM 473 C GLU A 23 -27.076 -11.912 2.208 1.00 20.00 C ATOM 474 O GLU A 23 -26.840 -13.070 1.868 1.00 20.00 O ATOM 475 CB GLU A 23 -29.383 -11.093 1.652 1.00 20.00 C ATOM 476 CG GLU A 23 -30.810 -10.857 2.123 1.00 20.00 C ATOM 477 CD GLU A 23 -31.780 -10.683 0.975 1.00 20.00 C ATOM 478 OE1 GLU A 23 -32.180 -11.701 0.371 1.00 20.00 O ATOM 479 OE2 GLU A 23 -32.149 -9.532 0.672 1.00 20.00 O ATOM 0 H GLU A 23 -28.541 -9.547 3.437 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.875 -12.401 3.258 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.001 -10.177 1.200 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.387 -11.855 0.873 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -31.129 -11.698 2.739 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.838 -9.970 2.755 1.00 20.00 H new ATOM 486 N TRP A 24 -26.184 -10.932 2.123 1.00 20.00 N ATOM 487 CA TRP A 24 -24.805 -11.174 1.716 1.00 20.00 C ATOM 488 C TRP A 24 -24.112 -12.100 2.713 1.00 20.00 C ATOM 489 O TRP A 24 -23.340 -12.981 2.332 1.00 20.00 O ATOM 490 CB TRP A 24 -24.049 -9.847 1.594 1.00 20.00 C ATOM 491 CG TRP A 24 -22.584 -10.008 1.323 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.559 -9.714 2.176 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.980 -10.508 0.125 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.356 -9.993 1.578 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.586 -10.485 0.321 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.479 -10.974 -1.095 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.688 -10.910 -0.654 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.587 -11.396 -2.061 1.00 20.00 C ATOM 499 CH2 TRP A 24 -20.205 -11.361 -1.838 1.00 20.00 C ATOM 0 H TRP A 24 -26.393 -9.956 2.332 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.807 -11.661 0.741 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.495 -9.258 0.792 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -24.178 -9.280 2.516 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.678 -9.320 3.174 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.438 -9.856 2.002 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.543 -11.003 -1.279 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.622 -10.885 -0.482 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.962 -11.760 -3.006 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -19.534 -11.696 -2.615 1.00 20.00 H new ATOM 510 N LEU A 25 -24.405 -11.899 3.992 1.00 20.00 N ATOM 511 CA LEU A 25 -23.889 -12.765 5.042 1.00 20.00 C ATOM 512 C LEU A 25 -24.426 -14.180 4.833 1.00 20.00 C ATOM 513 O LEU A 25 -23.674 -15.156 4.874 1.00 20.00 O ATOM 514 CB LEU A 25 -24.293 -12.204 6.421 1.00 20.00 C ATOM 515 CG LEU A 25 -23.583 -12.798 7.653 1.00 20.00 C ATOM 516 CD1 LEU A 25 -24.118 -14.182 7.992 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.077 -12.848 7.437 1.00 20.00 C ATOM 0 H LEU A 25 -24.999 -11.141 4.327 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.800 -12.802 5.002 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.117 -11.128 6.414 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.366 -12.350 6.545 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.791 -12.143 8.499 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.595 -14.570 8.866 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -25.185 -14.117 8.207 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.958 -14.851 7.146 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.597 -13.271 8.319 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.854 -13.470 6.570 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.700 -11.839 7.267 1.00 20.00 H new ATOM 529 N ARG A 26 -25.726 -14.274 4.570 1.00 20.00 N ATOM 530 CA ARG A 26 -26.372 -15.555 4.290 1.00 20.00 C ATOM 531 C ARG A 26 -25.731 -16.226 3.077 1.00 20.00 C ATOM 532 O ARG A 26 -25.581 -17.448 3.035 1.00 20.00 O ATOM 533 CB ARG A 26 -27.867 -15.342 4.036 1.00 20.00 C ATOM 534 CG ARG A 26 -28.645 -16.627 3.788 1.00 20.00 C ATOM 535 CD ARG A 26 -30.070 -16.331 3.341 1.00 20.00 C ATOM 536 NE ARG A 26 -30.099 -15.611 2.068 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.944 -14.618 1.785 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.859 -14.244 2.669 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.878 -14.010 0.609 1.00 20.00 N ATOM 0 H ARG A 26 -26.357 -13.473 4.545 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.243 -16.204 5.156 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.300 -14.827 4.893 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.988 -14.685 3.175 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.138 -17.221 3.027 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.664 -17.225 4.699 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.622 -17.266 3.243 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.576 -15.740 4.105 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.429 -15.886 1.350 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.920 -14.716 3.571 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.502 -13.484 2.447 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.182 -14.302 -0.078 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -31.523 -13.251 0.391 1.00 20.00 H new ATOM 553 N ALA A 27 -25.347 -15.413 2.100 1.00 20.00 N ATOM 554 CA ALA A 27 -24.724 -15.902 0.877 1.00 20.00 C ATOM 555 C ALA A 27 -23.384 -16.553 1.168 1.00 20.00 C ATOM 556 O ALA A 27 -23.085 -17.632 0.663 1.00 20.00 O ATOM 557 CB ALA A 27 -24.548 -14.766 -0.117 1.00 20.00 C ATOM 0 H ALA A 27 -25.458 -14.400 2.133 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.381 -16.655 0.443 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.081 -15.147 -1.026 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.522 -14.341 -0.360 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.914 -13.995 0.321 1.00 20.00 H new ATOM 563 N LYS A 28 -22.590 -15.900 1.999 1.00 20.00 N ATOM 564 CA LYS A 28 -21.258 -16.393 2.323 1.00 20.00 C ATOM 565 C LYS A 28 -21.332 -17.656 3.175 1.00 20.00 C ATOM 566 O LYS A 28 -20.486 -18.541 3.065 1.00 20.00 O ATOM 567 CB LYS A 28 -20.450 -15.318 3.055 1.00 20.00 C ATOM 568 CG LYS A 28 -20.174 -14.074 2.220 1.00 20.00 C ATOM 569 CD LYS A 28 -19.381 -13.037 3.003 1.00 20.00 C ATOM 570 CE LYS A 28 -17.995 -13.543 3.384 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.225 -12.523 4.141 1.00 20.00 N ATOM 0 H LYS A 28 -22.842 -15.027 2.463 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.757 -16.637 1.386 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.987 -15.026 3.957 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.500 -15.747 3.375 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.622 -14.353 1.322 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.118 -13.639 1.892 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.284 -12.130 2.407 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.929 -12.768 3.906 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.091 -14.447 3.986 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.447 -13.817 2.482 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.288 -12.904 4.382 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.112 -11.670 3.557 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.735 -12.280 5.014 1.00 20.00 H new ATOM 585 N VAL A 29 -22.353 -17.738 4.017 1.00 20.00 N ATOM 586 CA VAL A 29 -22.501 -18.863 4.927 1.00 20.00 C ATOM 587 C VAL A 29 -23.147 -20.069 4.247 1.00 20.00 C ATOM 588 O VAL A 29 -22.675 -21.197 4.396 1.00 20.00 O ATOM 589 CB VAL A 29 -23.324 -18.474 6.175 1.00 20.00 C ATOM 590 CG1 VAL A 29 -23.578 -19.682 7.067 1.00 20.00 C ATOM 591 CG2 VAL A 29 -22.611 -17.381 6.957 1.00 20.00 C ATOM 0 H VAL A 29 -23.091 -17.038 4.088 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.494 -19.141 5.237 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.289 -18.096 5.838 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.159 -19.376 7.937 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.131 -20.437 6.508 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -22.626 -20.099 7.395 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -23.202 -17.116 7.834 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -21.632 -17.740 7.274 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.488 -16.502 6.324 1.00 20.00 H new ATOM 772 N HIS A 42 -10.438 -3.699 -5.233 1.00 20.00 N ATOM 773 CA HIS A 42 -9.215 -4.351 -4.762 1.00 20.00 C ATOM 774 C HIS A 42 -8.900 -3.989 -3.319 1.00 20.00 C ATOM 775 O HIS A 42 -8.295 -4.777 -2.594 1.00 20.00 O ATOM 776 CB HIS A 42 -8.028 -3.986 -5.658 1.00 20.00 C ATOM 777 CG HIS A 42 -8.074 -4.625 -7.012 1.00 20.00 C ATOM 778 ND1 HIS A 42 -8.273 -3.914 -8.175 1.00 20.00 N ATOM 779 CD2 HIS A 42 -7.942 -5.919 -7.384 1.00 20.00 C ATOM 780 CE1 HIS A 42 -8.262 -4.741 -9.202 1.00 20.00 C ATOM 781 NE2 HIS A 42 -8.062 -5.965 -8.751 1.00 20.00 N ATOM 0 HA HIS A 42 -9.386 -5.426 -4.811 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -7.995 -2.903 -5.778 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -7.104 -4.279 -5.159 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -7.773 -6.760 -6.727 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -8.394 -4.464 -10.237 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -8.006 -6.807 -9.324 1.00 20.00 H new ATOM 790 N ASP A 43 -9.326 -2.804 -2.906 1.00 20.00 N ATOM 791 CA ASP A 43 -9.084 -2.330 -1.546 1.00 20.00 C ATOM 792 C ASP A 43 -9.863 -3.169 -0.535 1.00 20.00 C ATOM 793 O ASP A 43 -9.464 -3.306 0.623 1.00 20.00 O ATOM 794 CB ASP A 43 -9.460 -0.849 -1.429 1.00 20.00 C ATOM 795 CG ASP A 43 -9.250 -0.292 -0.036 1.00 20.00 C ATOM 796 OD1 ASP A 43 -8.103 -0.320 0.456 1.00 20.00 O ATOM 797 OD2 ASP A 43 -10.230 0.196 0.566 1.00 20.00 O ATOM 0 H ASP A 43 -9.843 -2.150 -3.493 1.00 20.00 H new ATOM 0 HA ASP A 43 -8.022 -2.437 -1.324 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -8.866 -0.272 -2.138 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -10.505 -0.722 -1.711 1.00 20.00 H new ATOM 802 N GLU A 44 -10.959 -3.758 -0.995 1.00 20.00 N ATOM 803 CA GLU A 44 -11.780 -4.623 -0.157 1.00 20.00 C ATOM 804 C GLU A 44 -11.180 -6.023 -0.101 1.00 20.00 C ATOM 805 O GLU A 44 -11.048 -6.617 0.970 1.00 20.00 O ATOM 806 CB GLU A 44 -13.210 -4.700 -0.703 1.00 20.00 C ATOM 807 CG GLU A 44 -13.948 -3.372 -0.701 1.00 20.00 C ATOM 808 CD GLU A 44 -14.137 -2.816 0.694 1.00 20.00 C ATOM 809 OE1 GLU A 44 -14.952 -3.377 1.459 1.00 20.00 O ATOM 810 OE2 GLU A 44 -13.474 -1.817 1.035 1.00 20.00 O ATOM 0 H GLU A 44 -11.302 -3.652 -1.950 1.00 20.00 H new ATOM 0 HA GLU A 44 -11.807 -4.201 0.848 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -13.178 -5.084 -1.723 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -13.776 -5.418 -0.110 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -13.395 -2.652 -1.304 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -14.922 -3.501 -1.172 1.00 20.00 H new ATOM 817 N VAL A 45 -10.794 -6.527 -1.267 1.00 20.00 N ATOM 818 CA VAL A 45 -10.273 -7.883 -1.397 1.00 20.00 C ATOM 819 C VAL A 45 -8.998 -8.070 -0.579 1.00 20.00 C ATOM 820 O VAL A 45 -8.902 -8.978 0.250 1.00 20.00 O ATOM 821 CB VAL A 45 -9.979 -8.231 -2.871 1.00 20.00 C ATOM 822 CG1 VAL A 45 -9.522 -9.673 -3.009 1.00 20.00 C ATOM 823 CG2 VAL A 45 -11.199 -7.970 -3.736 1.00 20.00 C ATOM 0 H VAL A 45 -10.833 -6.010 -2.146 1.00 20.00 H new ATOM 0 HA VAL A 45 -11.044 -8.553 -1.016 1.00 20.00 H new ATOM 0 HB VAL A 45 -9.170 -7.587 -3.215 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -9.321 -9.892 -4.058 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -8.613 -9.824 -2.426 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -10.303 -10.339 -2.642 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -10.971 -8.222 -4.772 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -12.030 -8.584 -3.388 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -11.473 -6.917 -3.670 1.00 20.00 H new ATOM 833 N GLU A 46 -8.032 -7.187 -0.801 1.00 20.00 N ATOM 834 CA GLU A 46 -6.732 -7.288 -0.146 1.00 20.00 C ATOM 835 C GLU A 46 -6.851 -7.125 1.367 1.00 20.00 C ATOM 836 O GLU A 46 -6.035 -7.651 2.122 1.00 20.00 O ATOM 837 CB GLU A 46 -5.762 -6.243 -0.701 1.00 20.00 C ATOM 838 CG GLU A 46 -5.490 -6.389 -2.190 1.00 20.00 C ATOM 839 CD GLU A 46 -4.888 -7.734 -2.546 1.00 20.00 C ATOM 840 OE1 GLU A 46 -3.835 -8.088 -1.975 1.00 20.00 O ATOM 841 OE2 GLU A 46 -5.468 -8.446 -3.389 1.00 20.00 O ATOM 0 H GLU A 46 -8.124 -6.390 -1.431 1.00 20.00 H new ATOM 0 HA GLU A 46 -6.343 -8.285 -0.354 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -6.166 -5.249 -0.511 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -4.818 -6.313 -0.160 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -6.422 -6.256 -2.740 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -4.814 -5.597 -2.511 1.00 20.00 H new ATOM 848 N ARG A 47 -7.874 -6.406 1.805 1.00 20.00 N ATOM 849 CA ARG A 47 -8.056 -6.132 3.226 1.00 20.00 C ATOM 850 C ARG A 47 -8.614 -7.356 3.949 1.00 20.00 C ATOM 851 O ARG A 47 -8.363 -7.562 5.134 1.00 20.00 O ATOM 852 CB ARG A 47 -8.987 -4.934 3.421 1.00 20.00 C ATOM 853 CG ARG A 47 -8.972 -4.364 4.833 1.00 20.00 C ATOM 854 CD ARG A 47 -9.867 -3.138 4.953 1.00 20.00 C ATOM 855 NE ARG A 47 -11.283 -3.474 4.799 1.00 20.00 N ATOM 856 CZ ARG A 47 -12.048 -3.064 3.788 1.00 20.00 C ATOM 857 NH1 ARG A 47 -11.541 -2.311 2.821 1.00 20.00 N ATOM 858 NH2 ARG A 47 -13.330 -3.401 3.747 1.00 20.00 N ATOM 0 H ARG A 47 -8.590 -6.002 1.201 1.00 20.00 H new ATOM 0 HA ARG A 47 -7.082 -5.896 3.654 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -8.704 -4.149 2.720 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -10.005 -5.233 3.171 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -9.303 -5.127 5.537 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -7.951 -4.098 5.108 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -9.710 -2.668 5.924 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -9.584 -2.407 4.196 1.00 20.00 H new ATOM 0 HE ARG A 47 -11.713 -4.061 5.513 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -10.558 -2.041 2.847 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -12.134 -2.002 2.051 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -13.731 -3.974 4.490 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -13.915 -3.087 2.973 1.00 20.00 H new ATOM 872 N ARG A 48 -9.373 -8.171 3.231 1.00 20.00 N ATOM 873 CA ARG A 48 -9.968 -9.360 3.826 1.00 20.00 C ATOM 874 C ARG A 48 -9.057 -10.574 3.684 1.00 20.00 C ATOM 875 O ARG A 48 -9.064 -11.466 4.531 1.00 20.00 O ATOM 876 CB ARG A 48 -11.343 -9.642 3.218 1.00 20.00 C ATOM 877 CG ARG A 48 -12.425 -8.651 3.646 1.00 20.00 C ATOM 878 CD ARG A 48 -12.721 -8.734 5.145 1.00 20.00 C ATOM 879 NE ARG A 48 -11.588 -8.301 5.967 1.00 20.00 N ATOM 880 CZ ARG A 48 -11.146 -8.956 7.043 1.00 20.00 C ATOM 881 NH1 ARG A 48 -11.788 -10.030 7.488 1.00 20.00 N ATOM 882 NH2 ARG A 48 -10.068 -8.521 7.682 1.00 20.00 N ATOM 0 H ARG A 48 -9.590 -8.033 2.244 1.00 20.00 H new ATOM 0 HA ARG A 48 -10.095 -9.165 4.891 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -11.259 -9.626 2.131 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -11.654 -10.648 3.499 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -12.109 -7.639 3.395 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -13.339 -8.848 3.085 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -13.589 -8.116 5.375 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -12.982 -9.760 5.404 1.00 20.00 H new ATOM 0 HE ARG A 48 -11.105 -7.443 5.700 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -12.625 -10.360 7.007 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -11.444 -10.525 8.311 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -9.580 -7.689 7.351 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -9.727 -9.019 8.505 1.00 20.00 H new ATOM 896 N MET A 49 -8.261 -10.598 2.622 1.00 20.00 N ATOM 897 CA MET A 49 -7.350 -11.714 2.381 1.00 20.00 C ATOM 898 C MET A 49 -6.064 -11.571 3.179 1.00 20.00 C ATOM 899 O MET A 49 -5.349 -12.550 3.383 1.00 20.00 O ATOM 900 CB MET A 49 -7.014 -11.836 0.896 1.00 20.00 C ATOM 901 CG MET A 49 -8.131 -12.428 0.059 1.00 20.00 C ATOM 902 SD MET A 49 -7.647 -12.664 -1.660 1.00 20.00 S ATOM 903 CE MET A 49 -9.121 -13.441 -2.314 1.00 20.00 C ATOM 0 H MET A 49 -8.226 -9.862 1.916 1.00 20.00 H new ATOM 0 HA MET A 49 -7.864 -12.618 2.709 1.00 20.00 H new ATOM 0 HB2 MET A 49 -6.767 -10.848 0.507 1.00 20.00 H new ATOM 0 HB3 MET A 49 -6.123 -12.454 0.785 1.00 20.00 H new ATOM 0 HG2 MET A 49 -8.432 -13.386 0.484 1.00 20.00 H new ATOM 0 HG3 MET A 49 -9.001 -11.773 0.102 1.00 20.00 H new ATOM 0 HE1 MET A 49 -8.981 -13.652 -3.374 1.00 20.00 H new ATOM 0 HE2 MET A 49 -9.309 -14.373 -1.780 1.00 20.00 H new ATOM 0 HE3 MET A 49 -9.972 -12.772 -2.187 1.00 20.00 H new ATOM 913 N ALA A 50 -5.779 -10.352 3.626 1.00 20.00 N ATOM 914 CA ALA A 50 -4.557 -10.056 4.372 1.00 20.00 C ATOM 915 C ALA A 50 -4.324 -11.051 5.506 1.00 20.00 C ATOM 916 O ALA A 50 -3.303 -11.743 5.538 1.00 20.00 O ATOM 917 CB ALA A 50 -4.614 -8.643 4.927 1.00 20.00 C ATOM 0 H ALA A 50 -6.384 -9.544 3.483 1.00 20.00 H new ATOM 0 HA ALA A 50 -3.721 -10.144 3.678 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -3.699 -8.432 5.481 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -4.712 -7.933 4.106 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -5.471 -8.548 5.593 1.00 20.00 H new ATOM 923 N GLU A 51 -5.283 -11.135 6.418 1.00 20.00 N ATOM 924 CA GLU A 51 -5.161 -12.011 7.573 1.00 20.00 C ATOM 925 C GLU A 51 -5.284 -13.480 7.177 1.00 20.00 C ATOM 926 O GLU A 51 -4.690 -14.353 7.809 1.00 20.00 O ATOM 927 CB GLU A 51 -6.209 -11.651 8.629 1.00 20.00 C ATOM 928 CG GLU A 51 -7.636 -11.628 8.107 1.00 20.00 C ATOM 929 CD GLU A 51 -8.643 -11.310 9.192 1.00 20.00 C ATOM 930 OE1 GLU A 51 -8.910 -10.115 9.431 1.00 20.00 O ATOM 931 OE2 GLU A 51 -9.175 -12.250 9.815 1.00 20.00 O ATOM 0 H GLU A 51 -6.154 -10.606 6.379 1.00 20.00 H new ATOM 0 HA GLU A 51 -4.168 -11.865 7.998 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -6.145 -12.368 9.448 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -5.970 -10.672 9.043 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -7.717 -10.887 7.312 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -7.874 -12.596 7.666 1.00 20.00 H new ATOM 938 N ARG A 52 -6.033 -13.748 6.113 1.00 20.00 N ATOM 939 CA ARG A 52 -6.232 -15.120 5.653 1.00 20.00 C ATOM 940 C ARG A 52 -4.940 -15.678 5.077 1.00 20.00 C ATOM 941 O ARG A 52 -4.661 -16.871 5.189 1.00 20.00 O ATOM 942 CB ARG A 52 -7.342 -15.203 4.600 1.00 20.00 C ATOM 943 CG ARG A 52 -8.704 -14.724 5.080 1.00 20.00 C ATOM 944 CD ARG A 52 -9.797 -15.106 4.096 1.00 20.00 C ATOM 945 NE ARG A 52 -9.976 -16.557 4.016 1.00 20.00 N ATOM 946 CZ ARG A 52 -10.740 -17.167 3.107 1.00 20.00 C ATOM 947 NH1 ARG A 52 -11.380 -16.458 2.186 1.00 20.00 N ATOM 948 NH2 ARG A 52 -10.862 -18.488 3.119 1.00 20.00 N ATOM 0 H ARG A 52 -6.510 -13.040 5.555 1.00 20.00 H new ATOM 0 HA ARG A 52 -6.532 -15.715 6.515 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -7.048 -14.612 3.733 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -7.432 -16.237 4.265 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -8.922 -15.157 6.056 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -8.688 -13.642 5.208 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -10.735 -14.640 4.397 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -9.550 -14.716 3.109 1.00 20.00 H new ATOM 0 HE ARG A 52 -9.487 -17.138 4.697 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -11.289 -15.442 2.170 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -11.963 -16.929 1.494 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -10.372 -19.039 3.823 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -11.446 -18.953 2.424 1.00 20.00 H new ATOM 962 N PHE A 53 -4.150 -14.803 4.469 1.00 20.00 N ATOM 963 CA PHE A 53 -2.869 -15.190 3.899 1.00 20.00 C ATOM 964 C PHE A 53 -1.917 -15.653 4.999 1.00 20.00 C ATOM 965 O PHE A 53 -1.067 -16.517 4.781 1.00 20.00 O ATOM 966 CB PHE A 53 -2.265 -14.016 3.124 1.00 20.00 C ATOM 967 CG PHE A 53 -1.000 -14.361 2.389 1.00 20.00 C ATOM 968 CD1 PHE A 53 -1.021 -15.243 1.318 1.00 20.00 C ATOM 969 CD2 PHE A 53 0.212 -13.803 2.766 1.00 20.00 C ATOM 970 CE1 PHE A 53 0.139 -15.561 0.642 1.00 20.00 C ATOM 971 CE2 PHE A 53 1.375 -14.117 2.092 1.00 20.00 C ATOM 972 CZ PHE A 53 1.338 -14.999 1.029 1.00 20.00 C ATOM 0 H PHE A 53 -4.377 -13.815 4.358 1.00 20.00 H new ATOM 0 HA PHE A 53 -3.025 -16.020 3.210 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -3.001 -13.648 2.409 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -2.060 -13.201 3.819 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -1.957 -15.686 1.010 1.00 20.00 H new ATOM 0 HD2 PHE A 53 0.247 -13.114 3.597 1.00 20.00 H new ATOM 0 HE1 PHE A 53 0.108 -16.249 -0.190 1.00 20.00 H new ATOM 0 HE2 PHE A 53 2.312 -13.674 2.395 1.00 20.00 H new ATOM 0 HZ PHE A 53 2.247 -15.248 0.502 1.00 20.00 H new ATOM 982 N ALA A 54 -2.081 -15.082 6.186 1.00 20.00 N ATOM 983 CA ALA A 54 -1.284 -15.471 7.338 1.00 20.00 C ATOM 984 C ALA A 54 -1.637 -16.885 7.778 1.00 20.00 C ATOM 985 O ALA A 54 -0.760 -17.676 8.125 1.00 20.00 O ATOM 986 CB ALA A 54 -1.495 -14.493 8.481 1.00 20.00 C ATOM 0 H ALA A 54 -2.762 -14.346 6.374 1.00 20.00 H new ATOM 0 HA ALA A 54 -0.232 -15.451 7.053 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -0.892 -14.797 9.336 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -1.197 -13.493 8.164 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -2.548 -14.485 8.764 1.00 20.00 H new ATOM 992 N LYS A 55 -2.926 -17.202 7.745 1.00 20.00 N ATOM 993 CA LYS A 55 -3.393 -18.537 8.095 1.00 20.00 C ATOM 994 C LYS A 55 -3.007 -19.534 7.008 1.00 20.00 C ATOM 995 O LYS A 55 -2.736 -20.703 7.286 1.00 20.00 O ATOM 996 CB LYS A 55 -4.911 -18.538 8.297 1.00 20.00 C ATOM 997 CG LYS A 55 -5.483 -19.905 8.644 1.00 20.00 C ATOM 998 CD LYS A 55 -6.989 -19.855 8.805 1.00 20.00 C ATOM 999 CE LYS A 55 -7.560 -21.222 9.146 1.00 20.00 C ATOM 1000 NZ LYS A 55 -7.056 -21.732 10.447 1.00 20.00 N ATOM 0 H LYS A 55 -3.666 -16.552 7.479 1.00 20.00 H new ATOM 0 HA LYS A 55 -2.918 -18.835 9.030 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -5.163 -17.836 9.092 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -5.390 -18.174 7.388 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -5.224 -20.618 7.861 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -5.030 -20.266 9.567 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -7.248 -19.145 9.591 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -7.442 -19.490 7.883 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -8.648 -21.162 9.178 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -7.303 -21.928 8.357 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -7.605 -22.569 10.728 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -6.053 -21.991 10.353 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -7.156 -20.993 11.172 1.00 20.00 H new ATOM 1014 N MET A 56 -2.972 -19.052 5.770 1.00 20.00 N ATOM 1015 CA MET A 56 -2.588 -19.873 4.627 1.00 20.00 C ATOM 1016 C MET A 56 -1.151 -20.365 4.776 1.00 20.00 C ATOM 1017 O MET A 56 -0.785 -21.413 4.250 1.00 20.00 O ATOM 1018 CB MET A 56 -2.744 -19.077 3.325 1.00 20.00 C ATOM 1019 CG MET A 56 -2.399 -19.868 2.069 1.00 20.00 C ATOM 1020 SD MET A 56 -2.507 -18.874 0.566 1.00 20.00 S ATOM 1021 CE MET A 56 -4.233 -18.391 0.599 1.00 20.00 C ATOM 0 H MET A 56 -3.207 -18.089 5.532 1.00 20.00 H new ATOM 0 HA MET A 56 -3.247 -20.741 4.590 1.00 20.00 H new ATOM 0 HB2 MET A 56 -3.772 -18.724 3.248 1.00 20.00 H new ATOM 0 HB3 MET A 56 -2.106 -18.194 3.372 1.00 20.00 H new ATOM 0 HG2 MET A 56 -1.390 -20.268 2.163 1.00 20.00 H new ATOM 0 HG3 MET A 56 -3.073 -20.720 1.985 1.00 20.00 H new ATOM 0 HE1 MET A 56 -4.541 -18.073 -0.397 1.00 20.00 H new ATOM 0 HE2 MET A 56 -4.842 -19.239 0.913 1.00 20.00 H new ATOM 0 HE3 MET A 56 -4.367 -17.568 1.301 1.00 20.00 H new ATOM 1031 N ARG A 57 -0.346 -19.607 5.514 1.00 20.00 N ATOM 1032 CA ARG A 57 1.032 -19.994 5.787 1.00 20.00 C ATOM 1033 C ARG A 57 1.075 -21.278 6.608 1.00 20.00 C ATOM 1034 O ARG A 57 2.013 -22.067 6.500 1.00 20.00 O ATOM 1035 CB ARG A 57 1.768 -18.874 6.523 1.00 20.00 C ATOM 1036 CG ARG A 57 1.954 -17.620 5.685 1.00 20.00 C ATOM 1037 CD ARG A 57 2.651 -16.521 6.469 1.00 20.00 C ATOM 1038 NE ARG A 57 3.949 -16.954 6.982 1.00 20.00 N ATOM 1039 CZ ARG A 57 4.817 -16.150 7.592 1.00 20.00 C ATOM 1040 NH1 ARG A 57 4.553 -14.855 7.727 1.00 20.00 N ATOM 1041 NH2 ARG A 57 5.955 -16.642 8.061 1.00 20.00 N ATOM 0 H ARG A 57 -0.626 -18.720 5.934 1.00 20.00 H new ATOM 0 HA ARG A 57 1.531 -20.172 4.834 1.00 20.00 H new ATOM 0 HB2 ARG A 57 1.215 -18.619 7.427 1.00 20.00 H new ATOM 0 HB3 ARG A 57 2.745 -19.239 6.839 1.00 20.00 H new ATOM 0 HG2 ARG A 57 2.537 -17.859 4.796 1.00 20.00 H new ATOM 0 HG3 ARG A 57 0.983 -17.263 5.343 1.00 20.00 H new ATOM 0 HD2 ARG A 57 2.787 -15.649 5.829 1.00 20.00 H new ATOM 0 HD3 ARG A 57 2.018 -16.211 7.300 1.00 20.00 H new ATOM 0 HE ARG A 57 4.206 -17.934 6.865 1.00 20.00 H new ATOM 0 HH11 ARG A 57 3.681 -14.472 7.362 1.00 20.00 H new ATOM 0 HH12 ARG A 57 5.222 -14.244 8.195 1.00 20.00 H new ATOM 0 HH21 ARG A 57 6.164 -17.635 7.954 1.00 20.00 H new ATOM 0 HH22 ARG A 57 6.622 -16.028 8.529 1.00 20.00 H new