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= -0.998 K(o=-1,f=-1.7) USER MOD Single : A 19 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.02) USER MOD Single : A 20 SER OG : rot -79:sc= 1.23 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= -1.27 (180deg=-2.85!) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= -0.0833 (180deg=-0.397) USER MOD Single : A 56 MET CE :methyl -163:sc= -0.137 (180deg=-0.597) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -32.578 -2.580 2.398 1.00 20.00 N ATOM 365 CA GLU A 16 -31.697 -3.173 1.393 1.00 20.00 C ATOM 366 C GLU A 16 -30.324 -2.506 1.341 1.00 20.00 C ATOM 367 O GLU A 16 -29.333 -3.154 1.007 1.00 20.00 O ATOM 368 CB GLU A 16 -32.356 -3.115 0.016 1.00 20.00 C ATOM 369 CG GLU A 16 -33.633 -3.936 -0.080 1.00 20.00 C ATOM 370 CD GLU A 16 -34.229 -3.922 -1.468 1.00 20.00 C ATOM 371 OE1 GLU A 16 -35.052 -3.028 -1.758 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.882 -4.805 -2.277 1.00 20.00 O ATOM 0 HA GLU A 16 -31.538 -4.211 1.685 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.582 -2.077 -0.227 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -31.648 -3.470 -0.732 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -33.422 -4.965 0.210 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -34.364 -3.548 0.629 1.00 20.00 H new ATOM 379 N GLN A 17 -30.266 -1.223 1.672 1.00 20.00 N ATOM 380 CA GLN A 17 -29.005 -0.489 1.645 1.00 20.00 C ATOM 381 C GLN A 17 -28.020 -1.058 2.663 1.00 20.00 C ATOM 382 O GLN A 17 -26.924 -1.483 2.303 1.00 20.00 O ATOM 383 CB GLN A 17 -29.224 1.008 1.909 1.00 20.00 C ATOM 384 CG GLN A 17 -30.012 1.734 0.824 1.00 20.00 C ATOM 385 CD GLN A 17 -31.497 1.440 0.860 1.00 20.00 C ATOM 386 OE1 GLN A 17 -31.980 0.505 0.225 1.00 20.00 O ATOM 387 NE2 GLN A 17 -32.233 2.235 1.616 1.00 20.00 N ATOM 0 H GLN A 17 -31.073 -0.670 1.961 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.584 -0.604 0.646 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -29.747 1.124 2.859 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -28.253 1.490 2.019 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -29.859 2.808 0.931 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -29.617 1.452 -0.152 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -31.795 3.001 2.128 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -33.239 2.083 1.688 1.00 20.00 H new ATOM 396 N GLU A 18 -28.420 -1.081 3.927 1.00 20.00 N ATOM 397 CA GLU A 18 -27.561 -1.586 4.994 1.00 20.00 C ATOM 398 C GLU A 18 -27.504 -3.112 4.974 1.00 20.00 C ATOM 399 O GLU A 18 -26.490 -3.712 5.322 1.00 20.00 O ATOM 400 CB GLU A 18 -28.060 -1.107 6.365 1.00 20.00 C ATOM 401 CG GLU A 18 -27.822 0.373 6.655 1.00 20.00 C ATOM 402 CD GLU A 18 -28.480 1.304 5.656 1.00 20.00 C ATOM 403 OE1 GLU A 18 -29.676 1.119 5.361 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.798 2.228 5.161 1.00 20.00 O ATOM 0 H GLU A 18 -29.334 -0.756 4.241 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.558 -1.195 4.824 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -29.129 -1.309 6.437 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.571 -1.697 7.140 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.195 0.603 7.653 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.749 0.564 6.664 1.00 20.00 H new ATOM 411 N ASN A 19 -28.597 -3.731 4.550 1.00 20.00 N ATOM 412 CA ASN A 19 -28.700 -5.192 4.535 1.00 20.00 C ATOM 413 C ASN A 19 -27.901 -5.803 3.393 1.00 20.00 C ATOM 414 O ASN A 19 -27.729 -7.016 3.344 1.00 20.00 O ATOM 415 CB ASN A 19 -30.158 -5.662 4.456 1.00 20.00 C ATOM 416 CG ASN A 19 -30.907 -5.516 5.770 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.769 -6.329 6.097 1.00 20.00 O ATOM 418 ND2 ASN A 19 -30.598 -4.472 6.525 1.00 20.00 N ATOM 0 H ASN A 19 -29.428 -3.248 4.210 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.277 -5.537 5.478 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.676 -5.091 3.685 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.180 -6.707 4.147 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.081 -4.322 7.411 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -29.877 -3.818 6.221 1.00 20.00 H new ATOM 425 N SER A 20 -27.454 -4.972 2.456 1.00 20.00 N ATOM 426 CA SER A 20 -26.656 -5.442 1.321 1.00 20.00 C ATOM 427 C SER A 20 -25.504 -6.342 1.786 1.00 20.00 C ATOM 428 O SER A 20 -25.257 -7.399 1.204 1.00 20.00 O ATOM 429 CB SER A 20 -26.109 -4.247 0.533 1.00 20.00 C ATOM 430 OG SER A 20 -25.363 -3.380 1.372 1.00 20.00 O ATOM 0 H SER A 20 -27.630 -3.967 2.458 1.00 20.00 H new ATOM 0 HA SER A 20 -27.303 -6.033 0.673 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.477 -4.603 -0.281 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.934 -3.698 0.080 1.00 20.00 H new ATOM 0 HG SER A 20 -25.976 -2.816 1.888 1.00 20.00 H new ATOM 436 N TYR A 21 -24.817 -5.922 2.844 1.00 20.00 N ATOM 437 CA TYR A 21 -23.725 -6.705 3.416 1.00 20.00 C ATOM 438 C TYR A 21 -24.261 -7.979 4.063 1.00 20.00 C ATOM 439 O TYR A 21 -23.656 -9.047 3.958 1.00 20.00 O ATOM 440 CB TYR A 21 -22.958 -5.866 4.444 1.00 20.00 C ATOM 441 CG TYR A 21 -21.785 -6.582 5.080 1.00 20.00 C ATOM 442 CD1 TYR A 21 -20.600 -6.774 4.380 1.00 20.00 C ATOM 443 CD2 TYR A 21 -21.860 -7.059 6.383 1.00 20.00 C ATOM 444 CE1 TYR A 21 -19.525 -7.420 4.960 1.00 20.00 C ATOM 445 CE2 TYR A 21 -20.789 -7.707 6.969 1.00 20.00 C ATOM 446 CZ TYR A 21 -19.625 -7.884 6.253 1.00 20.00 C ATOM 447 OH TYR A 21 -18.555 -8.526 6.836 1.00 20.00 O ATOM 0 H TYR A 21 -24.998 -5.041 3.325 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.043 -6.989 2.615 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -22.596 -4.960 3.959 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.647 -5.554 5.229 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -20.518 -6.412 3.366 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -22.770 -6.921 6.947 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -18.611 -7.560 4.402 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -20.864 -8.073 7.982 1.00 20.00 H new ATOM 0 HH TYR A 21 -18.790 -8.789 7.750 1.00 20.00 H new ATOM 457 N ASN A 22 -25.408 -7.860 4.718 1.00 20.00 N ATOM 458 CA ASN A 22 -26.046 -9.001 5.369 1.00 20.00 C ATOM 459 C ASN A 22 -26.470 -10.041 4.342 1.00 20.00 C ATOM 460 O ASN A 22 -26.465 -11.236 4.625 1.00 20.00 O ATOM 461 CB ASN A 22 -27.255 -8.556 6.194 1.00 20.00 C ATOM 462 CG ASN A 22 -26.863 -7.698 7.378 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.775 -6.477 7.269 1.00 20.00 O ATOM 464 ND2 ASN A 22 -26.622 -8.330 8.518 1.00 20.00 N ATOM 0 H ASN A 22 -25.919 -6.982 4.814 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.315 -9.451 6.041 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.941 -7.998 5.556 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -27.793 -9.435 6.548 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -26.352 -7.801 9.347 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -26.706 -9.345 8.566 1.00 20.00 H new ATOM 471 N GLU A 23 -26.829 -9.579 3.149 1.00 20.00 N ATOM 472 CA GLU A 23 -27.188 -10.473 2.058 1.00 20.00 C ATOM 473 C GLU A 23 -26.003 -11.363 1.700 1.00 20.00 C ATOM 474 O GLU A 23 -26.157 -12.563 1.465 1.00 20.00 O ATOM 475 CB GLU A 23 -27.625 -9.677 0.826 1.00 20.00 C ATOM 476 CG GLU A 23 -28.120 -10.557 -0.308 1.00 20.00 C ATOM 477 CD GLU A 23 -28.320 -9.800 -1.601 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.149 -8.868 -1.633 1.00 20.00 O ATOM 479 OE2 GLU A 23 -27.643 -10.136 -2.594 1.00 20.00 O ATOM 0 H GLU A 23 -26.879 -8.588 2.914 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.021 -11.094 2.386 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.416 -8.983 1.111 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -26.787 -9.077 0.473 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -27.405 -11.364 -0.473 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.062 -11.021 -0.016 1.00 20.00 H new ATOM 486 N TRP A 24 -24.818 -10.766 1.679 1.00 20.00 N ATOM 487 CA TRP A 24 -23.601 -11.500 1.373 1.00 20.00 C ATOM 488 C TRP A 24 -23.315 -12.520 2.471 1.00 20.00 C ATOM 489 O TRP A 24 -22.898 -13.645 2.194 1.00 20.00 O ATOM 490 CB TRP A 24 -22.422 -10.535 1.207 1.00 20.00 C ATOM 491 CG TRP A 24 -21.143 -11.216 0.828 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.876 -11.863 -0.344 1.00 20.00 C ATOM 493 CD2 TRP A 24 -19.954 -11.307 1.618 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.597 -12.360 -0.326 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.009 -12.031 0.867 1.00 20.00 C ATOM 496 CE3 TRP A 24 -19.598 -10.851 2.890 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -17.731 -12.306 1.345 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -18.329 -11.124 3.363 1.00 20.00 C ATOM 499 CH2 TRP A 24 -17.410 -11.846 2.593 1.00 20.00 C ATOM 0 H TRP A 24 -24.676 -9.774 1.871 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.738 -12.033 0.432 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.671 -9.797 0.445 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.273 -9.992 2.140 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.570 -11.968 -1.165 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.156 -12.889 -1.079 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -20.302 -10.296 3.492 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.019 -12.862 0.753 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -18.041 -10.774 4.343 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -16.426 -12.044 2.992 1.00 20.00 H new ATOM 510 N LEU A 25 -23.568 -12.129 3.715 1.00 20.00 N ATOM 511 CA LEU A 25 -23.419 -13.036 4.845 1.00 20.00 C ATOM 512 C LEU A 25 -24.427 -14.175 4.735 1.00 20.00 C ATOM 513 O LEU A 25 -24.101 -15.334 4.974 1.00 20.00 O ATOM 514 CB LEU A 25 -23.621 -12.294 6.169 1.00 20.00 C ATOM 515 CG LEU A 25 -22.618 -11.174 6.462 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.967 -10.480 7.769 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.198 -11.719 6.518 1.00 20.00 C ATOM 0 H LEU A 25 -23.877 -11.190 3.966 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.408 -13.443 4.826 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.625 -11.869 6.177 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.576 -13.019 6.981 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.674 -10.447 5.652 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.245 -9.687 7.964 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -23.967 -10.052 7.698 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -22.939 -11.203 8.584 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.504 -10.905 6.727 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.127 -12.468 7.306 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -20.945 -12.174 5.561 1.00 20.00 H new ATOM 529 N ARG A 26 -25.649 -13.826 4.351 1.00 20.00 N ATOM 530 CA ARG A 26 -26.722 -14.796 4.183 1.00 20.00 C ATOM 531 C ARG A 26 -26.332 -15.840 3.143 1.00 20.00 C ATOM 532 O ARG A 26 -26.556 -17.035 3.338 1.00 20.00 O ATOM 533 CB ARG A 26 -28.019 -14.069 3.785 1.00 20.00 C ATOM 534 CG ARG A 26 -29.249 -14.964 3.671 1.00 20.00 C ATOM 535 CD ARG A 26 -29.439 -15.514 2.264 1.00 20.00 C ATOM 536 NE ARG A 26 -30.651 -16.327 2.161 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.226 -16.669 1.009 1.00 20.00 C ATOM 538 NH1 ARG A 26 -30.730 -16.234 -0.144 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.316 -17.430 1.017 1.00 20.00 N ATOM 0 H ARG A 26 -25.923 -12.865 4.148 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.894 -15.314 5.126 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.222 -13.290 4.520 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.860 -13.571 2.828 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.158 -15.793 4.373 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -30.135 -14.398 3.959 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.493 -14.688 1.555 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -28.573 -16.115 1.988 1.00 20.00 H new ATOM 0 HE ARG A 26 -31.083 -16.652 3.026 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -29.905 -15.635 -0.150 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -31.175 -16.499 -1.023 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.709 -17.749 1.903 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.760 -17.694 0.138 1.00 20.00 H new ATOM 553 N ALA A 27 -25.720 -15.382 2.056 1.00 20.00 N ATOM 554 CA ALA A 27 -25.275 -16.267 0.987 1.00 20.00 C ATOM 555 C ALA A 27 -24.196 -17.229 1.478 1.00 20.00 C ATOM 556 O ALA A 27 -24.071 -18.352 0.982 1.00 20.00 O ATOM 557 CB ALA A 27 -24.756 -15.453 -0.186 1.00 20.00 C ATOM 0 H ALA A 27 -25.520 -14.395 1.892 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.131 -16.858 0.661 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.427 -16.125 -0.978 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.551 -14.810 -0.563 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.917 -14.838 0.140 1.00 20.00 H new ATOM 563 N LYS A 28 -23.429 -16.788 2.463 1.00 20.00 N ATOM 564 CA LYS A 28 -22.351 -17.595 3.016 1.00 20.00 C ATOM 565 C LYS A 28 -22.884 -18.616 4.015 1.00 20.00 C ATOM 566 O LYS A 28 -22.232 -19.620 4.298 1.00 20.00 O ATOM 567 CB LYS A 28 -21.311 -16.705 3.702 1.00 20.00 C ATOM 568 CG LYS A 28 -20.558 -15.785 2.750 1.00 20.00 C ATOM 569 CD LYS A 28 -19.588 -14.869 3.487 1.00 20.00 C ATOM 570 CE LYS A 28 -18.266 -15.557 3.836 1.00 20.00 C ATOM 571 NZ LYS A 28 -18.421 -16.658 4.824 1.00 20.00 N ATOM 0 H LYS A 28 -23.533 -15.871 2.898 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.881 -18.128 2.189 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.809 -16.099 4.459 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.593 -17.338 4.223 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.009 -16.385 2.024 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.272 -15.181 2.189 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.384 -13.993 2.871 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.059 -14.512 4.403 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.820 -15.955 2.925 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.572 -14.816 4.233 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.552 -16.742 5.389 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -19.224 -16.451 5.452 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.596 -17.552 4.323 1.00 20.00 H new ATOM 585 N VAL A 29 -24.070 -18.357 4.550 1.00 20.00 N ATOM 586 CA VAL A 29 -24.636 -19.211 5.580 1.00 20.00 C ATOM 587 C VAL A 29 -25.615 -20.230 5.003 1.00 20.00 C ATOM 588 O VAL A 29 -25.448 -21.437 5.193 1.00 20.00 O ATOM 589 CB VAL A 29 -25.345 -18.382 6.673 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.944 -19.291 7.734 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.378 -17.393 7.302 1.00 20.00 C ATOM 0 H VAL A 29 -24.656 -17.564 4.287 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.799 -19.749 6.026 1.00 20.00 H new ATOM 0 HB VAL A 29 -26.156 -17.823 6.206 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.439 -18.686 8.494 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -26.671 -19.959 7.272 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.153 -19.880 8.197 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.895 -16.817 8.070 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.546 -17.934 7.752 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.999 -16.717 6.535 1.00 20.00 H new ATOM 772 N HIS A 42 -48.141 -28.226 14.188 1.00 20.00 N ATOM 773 CA HIS A 42 -49.570 -27.918 14.264 1.00 20.00 C ATOM 774 C HIS A 42 -50.356 -29.042 14.937 1.00 20.00 C ATOM 775 O HIS A 42 -51.457 -28.820 15.439 1.00 20.00 O ATOM 776 CB HIS A 42 -50.147 -27.633 12.870 1.00 20.00 C ATOM 777 CG HIS A 42 -49.510 -26.460 12.181 1.00 20.00 C ATOM 778 ND1 HIS A 42 -49.136 -26.479 10.856 1.00 20.00 N ATOM 779 CD2 HIS A 42 -49.189 -25.226 12.640 1.00 20.00 C ATOM 780 CE1 HIS A 42 -48.611 -25.313 10.530 1.00 20.00 C ATOM 781 NE2 HIS A 42 -48.630 -24.532 11.594 1.00 20.00 N ATOM 0 HA HIS A 42 -49.671 -27.022 14.876 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -50.024 -28.519 12.248 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -51.218 -27.453 12.960 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -49.344 -24.856 13.643 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -48.230 -25.043 9.556 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -48.287 -23.572 11.633 1.00 20.00 H new ATOM 790 N ASP A 43 -49.778 -30.240 14.974 1.00 20.00 N ATOM 791 CA ASP A 43 -50.427 -31.375 15.624 1.00 20.00 C ATOM 792 C ASP A 43 -50.472 -31.185 17.139 1.00 20.00 C ATOM 793 O ASP A 43 -51.329 -31.751 17.817 1.00 20.00 O ATOM 794 CB ASP A 43 -49.727 -32.699 15.274 1.00 20.00 C ATOM 795 CG ASP A 43 -48.297 -32.779 15.777 1.00 20.00 C ATOM 796 OD1 ASP A 43 -48.091 -33.130 16.956 1.00 20.00 O ATOM 797 OD2 ASP A 43 -47.368 -32.510 14.984 1.00 20.00 O ATOM 0 H ASP A 43 -48.868 -30.449 14.564 1.00 20.00 H new ATOM 0 HA ASP A 43 -51.449 -31.423 15.249 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -50.299 -33.526 15.696 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -49.731 -32.828 14.192 1.00 20.00 H new ATOM 802 N GLU A 44 -49.566 -30.365 17.664 1.00 20.00 N ATOM 803 CA GLU A 44 -49.536 -30.081 19.094 1.00 20.00 C ATOM 804 C GLU A 44 -50.729 -29.208 19.471 1.00 20.00 C ATOM 805 O GLU A 44 -51.218 -29.240 20.602 1.00 20.00 O ATOM 806 CB GLU A 44 -48.231 -29.383 19.487 1.00 20.00 C ATOM 807 CG GLU A 44 -48.040 -29.270 20.990 1.00 20.00 C ATOM 808 CD GLU A 44 -46.820 -28.461 21.373 1.00 20.00 C ATOM 809 OE1 GLU A 44 -45.705 -29.028 21.411 1.00 20.00 O ATOM 810 OE2 GLU A 44 -46.971 -27.255 21.655 1.00 20.00 O ATOM 0 H GLU A 44 -48.846 -29.887 17.122 1.00 20.00 H new ATOM 0 HA GLU A 44 -49.592 -31.026 19.635 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -47.391 -29.932 19.061 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -48.215 -28.385 19.049 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -48.926 -28.811 21.430 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -47.954 -30.270 21.416 1.00 20.00 H new ATOM 817 N VAL A 45 -51.194 -28.431 18.505 1.00 20.00 N ATOM 818 CA VAL A 45 -52.369 -27.596 18.688 1.00 20.00 C ATOM 819 C VAL A 45 -53.612 -28.473 18.790 1.00 20.00 C ATOM 820 O VAL A 45 -54.454 -28.283 19.669 1.00 20.00 O ATOM 821 CB VAL A 45 -52.521 -26.592 17.525 1.00 20.00 C ATOM 822 CG1 VAL A 45 -53.758 -25.727 17.699 1.00 20.00 C ATOM 823 CG2 VAL A 45 -51.274 -25.729 17.415 1.00 20.00 C ATOM 0 H VAL A 45 -50.771 -28.362 17.579 1.00 20.00 H new ATOM 0 HA VAL A 45 -52.250 -27.028 19.611 1.00 20.00 H new ATOM 0 HB VAL A 45 -52.642 -27.157 16.601 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -53.836 -25.031 16.864 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -54.644 -26.361 17.727 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -53.683 -25.168 18.631 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -51.391 -25.024 16.592 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -51.128 -25.180 18.345 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -50.408 -26.364 17.229 1.00 20.00 H new ATOM 833 N GLU A 46 -53.692 -29.457 17.901 1.00 20.00 N ATOM 834 CA GLU A 46 -54.790 -30.425 17.906 1.00 20.00 C ATOM 835 C GLU A 46 -54.778 -31.235 19.198 1.00 20.00 C ATOM 836 O GLU A 46 -55.827 -31.620 19.719 1.00 20.00 O ATOM 837 CB GLU A 46 -54.675 -31.370 16.706 1.00 20.00 C ATOM 838 CG GLU A 46 -54.503 -30.654 15.375 1.00 20.00 C ATOM 839 CD GLU A 46 -55.773 -29.983 14.892 1.00 20.00 C ATOM 840 OE1 GLU A 46 -56.494 -29.378 15.713 1.00 20.00 O ATOM 841 OE2 GLU A 46 -56.046 -30.046 13.675 1.00 20.00 O ATOM 0 H GLU A 46 -53.006 -29.608 17.162 1.00 20.00 H new ATOM 0 HA GLU A 46 -55.729 -29.876 17.838 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -53.827 -32.038 16.861 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -55.568 -31.994 16.660 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -53.717 -29.905 15.471 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -54.170 -31.371 14.624 1.00 20.00 H new ATOM 848 N ARG A 47 -53.579 -31.487 19.705 1.00 20.00 N ATOM 849 CA ARG A 47 -53.392 -32.215 20.956 1.00 20.00 C ATOM 850 C ARG A 47 -54.056 -31.474 22.116 1.00 20.00 C ATOM 851 O ARG A 47 -54.645 -32.091 23.003 1.00 20.00 O ATOM 852 CB ARG A 47 -51.892 -32.389 21.224 1.00 20.00 C ATOM 853 CG ARG A 47 -51.546 -33.166 22.491 1.00 20.00 C ATOM 854 CD ARG A 47 -51.971 -34.627 22.411 1.00 20.00 C ATOM 855 NE ARG A 47 -53.335 -34.844 22.894 1.00 20.00 N ATOM 856 CZ ARG A 47 -54.165 -35.766 22.406 1.00 20.00 C ATOM 857 NH1 ARG A 47 -53.822 -36.490 21.349 1.00 20.00 N ATOM 858 NH2 ARG A 47 -55.346 -35.951 22.973 1.00 20.00 N ATOM 0 H ARG A 47 -52.708 -31.194 19.262 1.00 20.00 H new ATOM 0 HA ARG A 47 -53.860 -33.196 20.870 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -51.443 -32.897 20.371 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -51.433 -31.402 21.285 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -50.471 -33.112 22.665 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -52.031 -32.696 23.346 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -51.897 -34.967 21.378 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -51.281 -35.235 22.997 1.00 20.00 H new ATOM 0 HE ARG A 47 -53.672 -34.252 23.653 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -52.917 -36.344 20.903 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -54.464 -37.193 20.983 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -55.618 -35.389 23.780 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -55.985 -36.655 22.603 1.00 20.00 H new ATOM 872 N ARG A 48 -53.965 -30.150 22.096 1.00 20.00 N ATOM 873 CA ARG A 48 -54.537 -29.326 23.157 1.00 20.00 C ATOM 874 C ARG A 48 -56.051 -29.193 22.982 1.00 20.00 C ATOM 875 O ARG A 48 -56.790 -29.033 23.956 1.00 20.00 O ATOM 876 CB ARG A 48 -53.877 -27.940 23.164 1.00 20.00 C ATOM 877 CG ARG A 48 -54.356 -27.041 24.295 1.00 20.00 C ATOM 878 CD ARG A 48 -53.722 -25.659 24.237 1.00 20.00 C ATOM 879 NE ARG A 48 -52.274 -25.703 24.433 1.00 20.00 N ATOM 880 CZ ARG A 48 -51.505 -24.617 24.528 1.00 20.00 C ATOM 881 NH1 ARG A 48 -52.045 -23.409 24.446 1.00 20.00 N ATOM 882 NH2 ARG A 48 -50.198 -24.743 24.707 1.00 20.00 N ATOM 0 H ARG A 48 -53.501 -29.622 21.357 1.00 20.00 H new ATOM 0 HA ARG A 48 -54.345 -29.812 24.113 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -52.797 -28.062 23.241 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -54.075 -27.448 22.212 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -55.441 -26.944 24.245 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -54.121 -27.507 25.252 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -53.942 -25.201 23.273 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -54.170 -25.024 25.001 1.00 20.00 H new ATOM 0 HE ARG A 48 -51.826 -26.617 24.501 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -53.051 -23.308 24.310 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -51.455 -22.580 24.519 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -49.779 -25.671 24.772 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -49.611 -23.912 24.780 1.00 20.00 H new ATOM 896 N MET A 49 -56.506 -29.285 21.735 1.00 20.00 N ATOM 897 CA MET A 49 -57.929 -29.159 21.412 1.00 20.00 C ATOM 898 C MET A 49 -58.752 -30.268 22.060 1.00 20.00 C ATOM 899 O MET A 49 -59.947 -30.101 22.302 1.00 20.00 O ATOM 900 CB MET A 49 -58.141 -29.196 19.898 1.00 20.00 C ATOM 901 CG MET A 49 -57.587 -27.986 19.170 1.00 20.00 C ATOM 902 SD MET A 49 -58.435 -26.455 19.606 1.00 20.00 S ATOM 903 CE MET A 49 -57.590 -25.292 18.535 1.00 20.00 C ATOM 0 H MET A 49 -55.907 -29.447 20.925 1.00 20.00 H new ATOM 0 HA MET A 49 -58.265 -28.200 21.807 1.00 20.00 H new ATOM 0 HB2 MET A 49 -57.672 -30.095 19.497 1.00 20.00 H new ATOM 0 HB3 MET A 49 -59.209 -29.274 19.692 1.00 20.00 H new ATOM 0 HG2 MET A 49 -56.526 -27.885 19.398 1.00 20.00 H new ATOM 0 HG3 MET A 49 -57.668 -28.147 18.095 1.00 20.00 H new ATOM 0 HE1 MET A 49 -58.001 -24.294 18.686 1.00 20.00 H new ATOM 0 HE2 MET A 49 -56.526 -25.286 18.772 1.00 20.00 H new ATOM 0 HE3 MET A 49 -57.728 -25.588 17.495 1.00 20.00 H new ATOM 913 N ALA A 50 -58.099 -31.391 22.339 1.00 20.00 N ATOM 914 CA ALA A 50 -58.765 -32.558 22.907 1.00 20.00 C ATOM 915 C ALA A 50 -59.533 -32.211 24.177 1.00 20.00 C ATOM 916 O ALA A 50 -60.707 -32.563 24.318 1.00 20.00 O ATOM 917 CB ALA A 50 -57.749 -33.649 23.190 1.00 20.00 C ATOM 0 H ALA A 50 -57.100 -31.518 22.179 1.00 20.00 H new ATOM 0 HA ALA A 50 -59.488 -32.917 22.174 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -58.255 -34.516 23.614 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -57.254 -33.935 22.262 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -57.007 -33.280 23.898 1.00 20.00 H new ATOM 923 N GLU A 51 -58.875 -31.508 25.089 1.00 20.00 N ATOM 924 CA GLU A 51 -59.496 -31.123 26.350 1.00 20.00 C ATOM 925 C GLU A 51 -60.586 -30.089 26.120 1.00 20.00 C ATOM 926 O GLU A 51 -61.604 -30.080 26.814 1.00 20.00 O ATOM 927 CB GLU A 51 -58.463 -30.570 27.338 1.00 20.00 C ATOM 928 CG GLU A 51 -57.472 -31.604 27.851 1.00 20.00 C ATOM 929 CD GLU A 51 -56.395 -31.941 26.845 1.00 20.00 C ATOM 930 OE1 GLU A 51 -55.366 -31.235 26.821 1.00 20.00 O ATOM 931 OE2 GLU A 51 -56.565 -32.910 26.080 1.00 20.00 O ATOM 0 H GLU A 51 -57.911 -31.193 24.980 1.00 20.00 H new ATOM 0 HA GLU A 51 -59.939 -32.021 26.780 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -57.911 -29.763 26.855 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -58.988 -30.134 28.188 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -57.006 -31.231 28.763 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -58.010 -32.514 28.117 1.00 20.00 H new ATOM 938 N ARG A 52 -60.381 -29.229 25.131 1.00 20.00 N ATOM 939 CA ARG A 52 -61.344 -28.186 24.821 1.00 20.00 C ATOM 940 C ARG A 52 -62.662 -28.802 24.365 1.00 20.00 C ATOM 941 O ARG A 52 -63.734 -28.394 24.810 1.00 20.00 O ATOM 942 CB ARG A 52 -60.796 -27.239 23.746 1.00 20.00 C ATOM 943 CG ARG A 52 -61.689 -26.035 23.477 1.00 20.00 C ATOM 944 CD ARG A 52 -61.844 -25.175 24.721 1.00 20.00 C ATOM 945 NE ARG A 52 -62.708 -24.016 24.501 1.00 20.00 N ATOM 946 CZ ARG A 52 -62.968 -23.100 25.432 1.00 20.00 C ATOM 947 NH1 ARG A 52 -62.424 -23.201 26.640 1.00 20.00 N ATOM 948 NH2 ARG A 52 -63.771 -22.080 25.151 1.00 20.00 N ATOM 0 H ARG A 52 -59.556 -29.235 24.531 1.00 20.00 H new ATOM 0 HA ARG A 52 -61.523 -27.606 25.726 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -59.810 -26.888 24.052 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -60.662 -27.795 22.818 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -61.265 -25.438 22.670 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -62.669 -26.374 23.142 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -62.255 -25.781 25.528 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -60.861 -24.834 25.047 1.00 20.00 H new ATOM 0 HE ARG A 52 -63.136 -23.903 23.582 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -61.805 -23.982 26.857 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -62.625 -22.497 27.350 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -64.187 -21.999 24.223 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -63.971 -21.377 25.863 1.00 20.00 H new ATOM 962 N PHE A 53 -62.573 -29.802 23.497 1.00 20.00 N ATOM 963 CA PHE A 53 -63.756 -30.494 23.010 1.00 20.00 C ATOM 964 C PHE A 53 -64.366 -31.364 24.101 1.00 20.00 C ATOM 965 O PHE A 53 -65.582 -31.507 24.179 1.00 20.00 O ATOM 966 CB PHE A 53 -63.425 -31.342 21.783 1.00 20.00 C ATOM 967 CG PHE A 53 -63.188 -30.534 20.538 1.00 20.00 C ATOM 968 CD1 PHE A 53 -64.206 -29.767 19.990 1.00 20.00 C ATOM 969 CD2 PHE A 53 -61.950 -30.538 19.916 1.00 20.00 C ATOM 970 CE1 PHE A 53 -63.992 -29.023 18.846 1.00 20.00 C ATOM 971 CE2 PHE A 53 -61.732 -29.795 18.772 1.00 20.00 C ATOM 972 CZ PHE A 53 -62.754 -29.037 18.238 1.00 20.00 C ATOM 0 H PHE A 53 -61.693 -30.151 23.117 1.00 20.00 H new ATOM 0 HA PHE A 53 -64.487 -29.739 22.722 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -62.537 -31.939 21.993 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -64.243 -32.040 21.603 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -65.177 -29.751 20.463 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -61.146 -31.129 20.330 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -64.793 -28.431 18.428 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -60.763 -29.807 18.296 1.00 20.00 H new ATOM 0 HZ PHE A 53 -62.585 -28.455 17.344 1.00 20.00 H new ATOM 982 N ALA A 54 -63.516 -31.929 24.948 1.00 20.00 N ATOM 983 CA ALA A 54 -63.979 -32.767 26.046 1.00 20.00 C ATOM 984 C ALA A 54 -64.819 -31.958 27.028 1.00 20.00 C ATOM 985 O ALA A 54 -65.880 -32.401 27.467 1.00 20.00 O ATOM 986 CB ALA A 54 -62.797 -33.409 26.754 1.00 20.00 C ATOM 0 H ALA A 54 -62.503 -31.822 24.896 1.00 20.00 H new ATOM 0 HA ALA A 54 -64.608 -33.557 25.635 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -63.158 -34.032 27.572 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -62.240 -34.024 26.047 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -62.144 -32.631 27.151 1.00 20.00 H new ATOM 992 N LYS A 55 -64.348 -30.763 27.360 1.00 20.00 N ATOM 993 CA LYS A 55 -65.082 -29.882 28.258 1.00 20.00 C ATOM 994 C LYS A 55 -66.307 -29.297 27.562 1.00 20.00 C ATOM 995 O LYS A 55 -67.314 -29.012 28.204 1.00 20.00 O ATOM 996 CB LYS A 55 -64.182 -28.752 28.765 1.00 20.00 C ATOM 997 CG LYS A 55 -63.020 -29.202 29.649 1.00 20.00 C ATOM 998 CD LYS A 55 -63.401 -29.297 31.126 1.00 20.00 C ATOM 999 CE LYS A 55 -64.247 -30.524 31.448 1.00 20.00 C ATOM 1000 NZ LYS A 55 -63.532 -31.793 31.146 1.00 20.00 N ATOM 0 H LYS A 55 -63.464 -30.383 27.022 1.00 20.00 H new ATOM 0 HA LYS A 55 -65.414 -30.476 29.110 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -63.779 -28.215 27.906 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -64.793 -28.044 29.326 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -62.665 -30.174 29.307 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -62.192 -28.502 29.536 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -62.493 -29.321 31.728 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -63.950 -28.400 31.412 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -64.523 -30.506 32.502 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -65.173 -30.485 30.875 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -64.004 -32.582 31.633 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -63.544 -31.963 30.120 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -62.547 -31.723 31.474 1.00 20.00 H new ATOM 1014 N MET A 56 -66.211 -29.125 26.250 1.00 20.00 N ATOM 1015 CA MET A 56 -67.309 -28.567 25.465 1.00 20.00 C ATOM 1016 C MET A 56 -68.417 -29.600 25.279 1.00 20.00 C ATOM 1017 O MET A 56 -69.589 -29.251 25.130 1.00 20.00 O ATOM 1018 CB MET A 56 -66.793 -28.092 24.101 1.00 20.00 C ATOM 1019 CG MET A 56 -67.846 -27.417 23.233 1.00 20.00 C ATOM 1020 SD MET A 56 -67.224 -26.980 21.597 1.00 20.00 S ATOM 1021 CE MET A 56 -65.875 -25.879 22.021 1.00 20.00 C ATOM 0 H MET A 56 -65.383 -29.364 25.704 1.00 20.00 H new ATOM 0 HA MET A 56 -67.721 -27.714 26.004 1.00 20.00 H new ATOM 0 HB2 MET A 56 -65.969 -27.396 24.260 1.00 20.00 H new ATOM 0 HB3 MET A 56 -66.388 -28.948 23.561 1.00 20.00 H new ATOM 0 HG2 MET A 56 -68.703 -28.082 23.126 1.00 20.00 H new ATOM 0 HG3 MET A 56 -68.202 -26.517 23.734 1.00 20.00 H new ATOM 0 HE1 MET A 56 -65.590 -25.298 21.144 1.00 20.00 H new ATOM 0 HE2 MET A 56 -66.192 -25.204 22.816 1.00 20.00 H new ATOM 0 HE3 MET A 56 -65.021 -26.464 22.361 1.00 20.00 H new ATOM 1031 N ARG A 57 -68.030 -30.870 25.284 1.00 20.00 N ATOM 1032 CA ARG A 57 -68.975 -31.973 25.158 1.00 20.00 C ATOM 1033 C ARG A 57 -69.949 -31.973 26.330 1.00 20.00 C ATOM 1034 O ARG A 57 -71.152 -32.174 26.140 1.00 20.00 O ATOM 1035 CB ARG A 57 -68.222 -33.309 25.093 1.00 20.00 C ATOM 1036 CG ARG A 57 -69.126 -34.531 25.009 1.00 20.00 C ATOM 1037 CD ARG A 57 -70.045 -34.472 23.796 1.00 20.00 C ATOM 1038 NE ARG A 57 -69.303 -34.419 22.537 1.00 20.00 N ATOM 1039 CZ ARG A 57 -69.806 -33.945 21.397 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -71.020 -33.407 21.378 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -69.086 -33.989 20.283 1.00 20.00 N ATOM 0 H ARG A 57 -67.057 -31.163 25.375 1.00 20.00 H new ATOM 0 HA ARG A 57 -69.542 -31.844 24.236 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -67.562 -33.299 24.226 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -67.588 -33.400 25.975 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -68.515 -35.432 24.959 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -69.726 -34.603 25.916 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -70.696 -35.346 23.794 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -70.688 -33.595 23.873 1.00 20.00 H new ATOM 0 HE ARG A 57 -68.344 -34.765 22.531 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -71.569 -33.356 22.236 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -71.404 -33.045 20.505 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -68.147 -34.386 20.298 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -69.472 -33.626 19.412 1.00 20.00 H new