USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=7 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= 0.738 K(o=0.74,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.004) USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= -0.0157 (180deg=-0.101) USER MOD Single : A 42 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.3!) USER MOD Single : A 49 MET CE :methyl 162:sc= -0.136 (180deg=-0.616) USER MOD Single : A 55 LYS NZ :NH3+ -116:sc= 0.291 (180deg=-0.226) USER MOD Single : A 56 MET CE :methyl 161:sc= -0.138 (180deg=-0.621) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.518 -0.107 4.591 1.00 20.00 N ATOM 365 CA GLU A 16 -31.635 -0.742 3.272 1.00 20.00 C ATOM 366 C GLU A 16 -30.287 -0.929 2.561 1.00 20.00 C ATOM 367 O GLU A 16 -30.055 -1.972 1.946 1.00 20.00 O ATOM 368 CB GLU A 16 -32.602 0.043 2.378 1.00 20.00 C ATOM 369 CG GLU A 16 -32.217 1.497 2.168 1.00 20.00 C ATOM 370 CD GLU A 16 -33.167 2.220 1.242 1.00 20.00 C ATOM 371 OE1 GLU A 16 -34.198 2.738 1.723 1.00 20.00 O ATOM 372 OE2 GLU A 16 -32.885 2.283 0.027 1.00 20.00 O ATOM 0 HA GLU A 16 -32.032 -1.741 3.452 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.662 -0.449 1.407 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -33.599 0.003 2.817 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.196 2.006 3.131 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.208 1.547 1.759 1.00 20.00 H new ATOM 379 N GLN A 17 -29.395 0.057 2.663 1.00 20.00 N ATOM 380 CA GLN A 17 -28.092 -0.018 1.996 1.00 20.00 C ATOM 381 C GLN A 17 -27.243 -1.162 2.542 1.00 20.00 C ATOM 382 O GLN A 17 -26.352 -1.664 1.861 1.00 20.00 O ATOM 383 CB GLN A 17 -27.315 1.294 2.141 1.00 20.00 C ATOM 384 CG GLN A 17 -27.014 1.677 3.580 1.00 20.00 C ATOM 385 CD GLN A 17 -25.925 2.724 3.687 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.194 3.922 3.645 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.690 2.279 3.848 1.00 20.00 N ATOM 0 H GLN A 17 -29.548 0.912 3.197 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.295 -0.202 0.941 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.376 1.211 1.594 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -27.886 2.096 1.674 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -27.923 2.054 4.050 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.714 0.788 4.134 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -24.509 1.276 3.877 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -23.918 2.939 3.943 1.00 20.00 H new ATOM 396 N GLU A 18 -27.520 -1.566 3.770 1.00 20.00 N ATOM 397 CA GLU A 18 -26.773 -2.631 4.410 1.00 20.00 C ATOM 398 C GLU A 18 -27.425 -3.979 4.135 1.00 20.00 C ATOM 399 O GLU A 18 -26.825 -5.029 4.362 1.00 20.00 O ATOM 400 CB GLU A 18 -26.683 -2.391 5.917 1.00 20.00 C ATOM 401 CG GLU A 18 -25.950 -1.112 6.298 1.00 20.00 C ATOM 402 CD GLU A 18 -24.508 -1.100 5.831 1.00 20.00 C ATOM 403 OE1 GLU A 18 -23.744 -2.007 6.230 1.00 20.00 O ATOM 404 OE2 GLU A 18 -24.126 -0.173 5.083 1.00 20.00 O ATOM 0 H GLU A 18 -28.262 -1.168 4.346 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.765 -2.638 3.995 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.691 -2.356 6.330 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.178 -3.239 6.380 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.473 -0.257 5.869 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.977 -0.992 7.381 1.00 20.00 H new ATOM 411 N ASN A 19 -28.657 -3.945 3.645 1.00 20.00 N ATOM 412 CA ASN A 19 -29.406 -5.168 3.354 1.00 20.00 C ATOM 413 C ASN A 19 -28.708 -5.990 2.282 1.00 20.00 C ATOM 414 O ASN A 19 -28.780 -7.218 2.284 1.00 20.00 O ATOM 415 CB ASN A 19 -30.838 -4.852 2.914 1.00 20.00 C ATOM 416 CG ASN A 19 -31.711 -4.358 4.053 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.222 -3.769 5.016 1.00 20.00 O ATOM 418 ND2 ASN A 19 -33.011 -4.599 3.955 1.00 20.00 N ATOM 0 H ASN A 19 -29.163 -3.084 3.439 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.447 -5.750 4.275 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.813 -4.097 2.128 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.286 -5.747 2.482 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.644 -4.293 4.694 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.379 -5.091 3.140 1.00 20.00 H new ATOM 425 N SER A 20 -28.011 -5.312 1.381 1.00 20.00 N ATOM 426 CA SER A 20 -27.249 -5.990 0.343 1.00 20.00 C ATOM 427 C SER A 20 -26.068 -6.743 0.954 1.00 20.00 C ATOM 428 O SER A 20 -25.687 -7.818 0.487 1.00 20.00 O ATOM 429 CB SER A 20 -26.775 -4.978 -0.701 1.00 20.00 C ATOM 430 OG SER A 20 -26.337 -3.784 -0.078 1.00 20.00 O ATOM 0 H SER A 20 -27.958 -4.294 1.348 1.00 20.00 H new ATOM 0 HA SER A 20 -27.891 -6.719 -0.151 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.963 -5.407 -1.288 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.586 -4.756 -1.394 1.00 20.00 H new ATOM 0 HG SER A 20 -26.036 -3.150 -0.762 1.00 20.00 H new ATOM 436 N TYR A 21 -25.499 -6.179 2.013 1.00 20.00 N ATOM 437 CA TYR A 21 -24.425 -6.840 2.742 1.00 20.00 C ATOM 438 C TYR A 21 -24.988 -7.989 3.570 1.00 20.00 C ATOM 439 O TYR A 21 -24.334 -9.017 3.752 1.00 20.00 O ATOM 440 CB TYR A 21 -23.690 -5.853 3.653 1.00 20.00 C ATOM 441 CG TYR A 21 -23.050 -4.694 2.920 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.165 -4.910 1.872 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.324 -3.383 3.285 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.574 -3.852 1.209 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.738 -2.321 2.626 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.866 -2.560 1.589 1.00 20.00 C ATOM 447 OH TYR A 21 -21.277 -1.502 0.934 1.00 20.00 O ATOM 0 H TYR A 21 -25.763 -5.267 2.385 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.712 -7.232 2.016 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.393 -5.460 4.388 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.919 -6.390 4.205 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.935 -5.921 1.570 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.008 -3.191 4.099 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.886 -4.037 0.397 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.963 -1.307 2.923 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.591 -0.660 1.324 1.00 20.00 H new ATOM 457 N ASN A 22 -26.214 -7.806 4.059 1.00 20.00 N ATOM 458 CA ASN A 22 -26.915 -8.850 4.805 1.00 20.00 C ATOM 459 C ASN A 22 -27.043 -10.115 3.969 1.00 20.00 C ATOM 460 O ASN A 22 -26.784 -11.211 4.455 1.00 20.00 O ATOM 461 CB ASN A 22 -28.310 -8.386 5.246 1.00 20.00 C ATOM 462 CG ASN A 22 -28.306 -7.594 6.544 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.430 -8.160 7.629 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.170 -6.282 6.446 1.00 20.00 N ATOM 0 H ASN A 22 -26.744 -6.941 3.951 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.323 -9.063 5.695 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.746 -7.773 4.457 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.953 -9.258 5.364 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.166 -5.705 7.287 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.069 -5.847 5.529 1.00 20.00 H new ATOM 471 N GLU A 23 -27.432 -9.955 2.706 1.00 20.00 N ATOM 472 CA GLU A 23 -27.594 -11.092 1.805 1.00 20.00 C ATOM 473 C GLU A 23 -26.290 -11.859 1.642 1.00 20.00 C ATOM 474 O GLU A 23 -26.280 -13.091 1.669 1.00 20.00 O ATOM 475 CB GLU A 23 -28.113 -10.636 0.442 1.00 20.00 C ATOM 476 CG GLU A 23 -29.603 -10.344 0.432 1.00 20.00 C ATOM 477 CD GLU A 23 -30.429 -11.567 0.782 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.490 -12.504 -0.044 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.025 -11.598 1.882 1.00 20.00 O ATOM 0 H GLU A 23 -27.640 -9.050 2.284 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.329 -11.762 2.251 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -27.572 -9.740 0.137 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.896 -11.407 -0.298 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.820 -9.546 1.142 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.894 -9.981 -0.554 1.00 20.00 H new ATOM 486 N TRP A 24 -25.195 -11.127 1.488 1.00 20.00 N ATOM 487 CA TRP A 24 -23.878 -11.737 1.367 1.00 20.00 C ATOM 488 C TRP A 24 -23.534 -12.511 2.639 1.00 20.00 C ATOM 489 O TRP A 24 -23.026 -13.629 2.580 1.00 20.00 O ATOM 490 CB TRP A 24 -22.820 -10.662 1.084 1.00 20.00 C ATOM 491 CG TRP A 24 -21.433 -11.205 0.925 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.394 -11.073 1.802 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.932 -11.970 -0.178 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.276 -11.705 1.312 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.582 -12.265 0.098 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.492 -12.434 -1.371 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.788 -13.003 -0.775 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -20.701 -13.167 -2.237 1.00 20.00 C ATOM 499 CH2 TRP A 24 -19.363 -13.444 -1.936 1.00 20.00 C ATOM 0 H TRP A 24 -25.193 -10.108 1.444 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.890 -12.437 0.532 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.096 -10.124 0.177 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.825 -9.937 1.898 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.444 -10.548 2.744 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.368 -11.750 1.775 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.524 -12.224 -1.612 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.755 -13.220 -0.545 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.123 -13.532 -3.162 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -18.772 -14.018 -2.634 1.00 20.00 H new ATOM 510 N LEU A 25 -23.850 -11.919 3.784 1.00 20.00 N ATOM 511 CA LEU A 25 -23.553 -12.530 5.073 1.00 20.00 C ATOM 512 C LEU A 25 -24.416 -13.777 5.276 1.00 20.00 C ATOM 513 O LEU A 25 -23.926 -14.819 5.716 1.00 20.00 O ATOM 514 CB LEU A 25 -23.785 -11.501 6.197 1.00 20.00 C ATOM 515 CG LEU A 25 -23.163 -11.815 7.571 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.929 -12.912 8.299 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.696 -12.202 7.425 1.00 20.00 C ATOM 0 H LEU A 25 -24.314 -11.013 3.846 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.508 -12.839 5.099 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.397 -10.539 5.861 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.860 -11.382 6.331 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.229 -10.908 8.171 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.460 -13.105 9.264 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.960 -12.594 8.454 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.916 -13.823 7.701 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.277 -12.419 8.408 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.614 -13.086 6.792 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.146 -11.378 6.971 1.00 20.00 H new ATOM 529 N ARG A 26 -25.697 -13.667 4.930 1.00 20.00 N ATOM 530 CA ARG A 26 -26.638 -14.777 5.064 1.00 20.00 C ATOM 531 C ARG A 26 -26.231 -15.946 4.176 1.00 20.00 C ATOM 532 O ARG A 26 -26.380 -17.107 4.554 1.00 20.00 O ATOM 533 CB ARG A 26 -28.060 -14.329 4.711 1.00 20.00 C ATOM 534 CG ARG A 26 -28.635 -13.295 5.666 1.00 20.00 C ATOM 535 CD ARG A 26 -29.985 -12.783 5.189 1.00 20.00 C ATOM 536 NE ARG A 26 -30.511 -11.733 6.056 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.475 -10.885 5.700 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.978 -10.916 4.468 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.914 -9.985 6.571 1.00 20.00 N ATOM 0 H ARG A 26 -26.109 -12.814 4.552 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.618 -15.104 6.104 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.061 -13.917 3.702 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.713 -15.202 4.700 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.741 -13.734 6.658 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -27.941 -12.460 5.760 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.889 -12.400 4.173 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.694 -13.610 5.151 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.116 -11.643 6.992 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.626 -11.592 3.790 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.716 -10.264 4.202 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.514 -9.945 7.508 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.652 -9.334 6.303 1.00 20.00 H new ATOM 553 N ALA A 27 -25.702 -15.634 3.000 1.00 20.00 N ATOM 554 CA ALA A 27 -25.248 -16.659 2.070 1.00 20.00 C ATOM 555 C ALA A 27 -24.038 -17.399 2.625 1.00 20.00 C ATOM 556 O ALA A 27 -23.778 -18.550 2.272 1.00 20.00 O ATOM 557 CB ALA A 27 -24.911 -16.037 0.726 1.00 20.00 C ATOM 0 H ALA A 27 -25.577 -14.678 2.667 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.056 -17.378 1.935 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.573 -16.814 0.040 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.797 -15.552 0.317 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.120 -15.298 0.855 1.00 20.00 H new ATOM 563 N LYS A 28 -23.307 -16.733 3.504 1.00 20.00 N ATOM 564 CA LYS A 28 -22.098 -17.297 4.085 1.00 20.00 C ATOM 565 C LYS A 28 -22.397 -18.058 5.373 1.00 20.00 C ATOM 566 O LYS A 28 -21.510 -18.694 5.940 1.00 20.00 O ATOM 567 CB LYS A 28 -21.085 -16.188 4.364 1.00 20.00 C ATOM 568 CG LYS A 28 -20.537 -15.529 3.107 1.00 20.00 C ATOM 569 CD LYS A 28 -19.690 -14.310 3.440 1.00 20.00 C ATOM 570 CE LYS A 28 -18.539 -14.654 4.375 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.647 -15.701 3.808 1.00 20.00 N ATOM 0 H LYS A 28 -23.532 -15.794 3.833 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.681 -18.002 3.366 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.555 -15.427 4.987 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.256 -16.602 4.938 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.937 -16.249 2.550 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.363 -15.234 2.460 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.294 -13.881 2.519 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.317 -13.548 3.902 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.957 -13.755 4.578 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.939 -14.998 5.329 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.807 -15.806 4.413 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -18.158 -16.606 3.764 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.351 -15.424 2.850 1.00 20.00 H new ATOM 585 N VAL A 29 -23.642 -17.988 5.831 1.00 20.00 N ATOM 586 CA VAL A 29 -24.038 -18.632 7.079 1.00 20.00 C ATOM 587 C VAL A 29 -23.799 -20.140 7.034 1.00 20.00 C ATOM 588 O VAL A 29 -23.086 -20.683 7.883 1.00 20.00 O ATOM 589 CB VAL A 29 -25.518 -18.337 7.426 1.00 20.00 C ATOM 590 CG1 VAL A 29 -26.020 -19.247 8.537 1.00 20.00 C ATOM 591 CG2 VAL A 29 -25.676 -16.880 7.830 1.00 20.00 C ATOM 0 H VAL A 29 -24.396 -17.491 5.356 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.411 -18.210 7.864 1.00 20.00 H new ATOM 0 HB VAL A 29 -26.119 -18.532 6.538 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -27.062 -19.013 8.756 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.940 -20.287 8.220 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.418 -19.094 9.433 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -26.720 -16.681 8.072 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.055 -16.675 8.702 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -25.366 -16.238 7.005 1.00 20.00 H new ATOM 772 N HIS A 42 -44.988 -13.347 13.726 1.00 20.00 N ATOM 773 CA HIS A 42 -45.405 -14.289 12.689 1.00 20.00 C ATOM 774 C HIS A 42 -46.923 -14.420 12.654 1.00 20.00 C ATOM 775 O HIS A 42 -47.469 -15.163 11.845 1.00 20.00 O ATOM 776 CB HIS A 42 -44.731 -15.669 12.839 1.00 20.00 C ATOM 777 CG HIS A 42 -45.149 -16.479 14.037 1.00 20.00 C ATOM 778 ND1 HIS A 42 -46.106 -17.471 13.976 1.00 20.00 N ATOM 779 CD2 HIS A 42 -44.697 -16.477 15.314 1.00 20.00 C ATOM 780 CE1 HIS A 42 -46.222 -18.043 15.159 1.00 20.00 C ATOM 781 NE2 HIS A 42 -45.377 -17.460 15.989 1.00 20.00 N ATOM 0 HA HIS A 42 -45.072 -13.880 11.735 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -44.937 -16.252 11.941 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -43.652 -15.522 12.883 1.00 20.00 H new ATOM 0 HD1 HIS A 42 -46.641 -17.723 13.145 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -43.942 -15.823 15.725 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -46.894 -18.851 15.407 1.00 20.00 H new ATOM 790 N ASP A 43 -47.593 -13.674 13.530 1.00 20.00 N ATOM 791 CA ASP A 43 -49.055 -13.602 13.534 1.00 20.00 C ATOM 792 C ASP A 43 -49.576 -13.131 12.178 1.00 20.00 C ATOM 793 O ASP A 43 -50.615 -13.593 11.703 1.00 20.00 O ATOM 794 CB ASP A 43 -49.545 -12.659 14.636 1.00 20.00 C ATOM 795 CG ASP A 43 -51.036 -12.390 14.554 1.00 20.00 C ATOM 796 OD1 ASP A 43 -51.830 -13.266 14.963 1.00 20.00 O ATOM 797 OD2 ASP A 43 -51.420 -11.296 14.087 1.00 20.00 O ATOM 0 H ASP A 43 -47.145 -13.108 14.250 1.00 20.00 H new ATOM 0 HA ASP A 43 -49.441 -14.603 13.729 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -49.310 -13.091 15.609 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -49.005 -11.715 14.568 1.00 20.00 H new ATOM 802 N GLU A 44 -48.832 -12.221 11.557 1.00 20.00 N ATOM 803 CA GLU A 44 -49.157 -11.728 10.225 1.00 20.00 C ATOM 804 C GLU A 44 -49.199 -12.891 9.236 1.00 20.00 C ATOM 805 O GLU A 44 -50.111 -13.000 8.415 1.00 20.00 O ATOM 806 CB GLU A 44 -48.114 -10.692 9.789 1.00 20.00 C ATOM 807 CG GLU A 44 -48.406 -10.042 8.447 1.00 20.00 C ATOM 808 CD GLU A 44 -49.671 -9.210 8.465 1.00 20.00 C ATOM 809 OE1 GLU A 44 -49.624 -8.055 8.944 1.00 20.00 O ATOM 810 OE2 GLU A 44 -50.723 -9.705 8.006 1.00 20.00 O ATOM 0 H GLU A 44 -47.992 -11.807 11.961 1.00 20.00 H new ATOM 0 HA GLU A 44 -50.138 -11.253 10.245 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -48.050 -9.915 10.550 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -47.137 -11.174 9.742 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -47.564 -9.410 8.163 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -48.496 -10.816 7.685 1.00 20.00 H new ATOM 817 N VAL A 45 -48.215 -13.774 9.355 1.00 20.00 N ATOM 818 CA VAL A 45 -48.116 -14.946 8.502 1.00 20.00 C ATOM 819 C VAL A 45 -49.254 -15.918 8.789 1.00 20.00 C ATOM 820 O VAL A 45 -49.837 -16.499 7.871 1.00 20.00 O ATOM 821 CB VAL A 45 -46.763 -15.661 8.701 1.00 20.00 C ATOM 822 CG1 VAL A 45 -46.675 -16.914 7.845 1.00 20.00 C ATOM 823 CG2 VAL A 45 -45.613 -14.717 8.390 1.00 20.00 C ATOM 0 H VAL A 45 -47.467 -13.696 10.044 1.00 20.00 H new ATOM 0 HA VAL A 45 -48.187 -14.609 7.468 1.00 20.00 H new ATOM 0 HB VAL A 45 -46.690 -15.964 9.746 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -45.711 -17.397 8.005 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -47.476 -17.600 8.121 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -46.775 -16.644 6.794 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -44.666 -15.237 8.535 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -45.688 -14.381 7.356 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -45.660 -13.855 9.056 1.00 20.00 H new ATOM 833 N GLU A 46 -49.574 -16.076 10.070 1.00 20.00 N ATOM 834 CA GLU A 46 -50.657 -16.968 10.491 1.00 20.00 C ATOM 835 C GLU A 46 -51.961 -16.607 9.789 1.00 20.00 C ATOM 836 O GLU A 46 -52.693 -17.485 9.336 1.00 20.00 O ATOM 837 CB GLU A 46 -50.870 -16.910 12.008 1.00 20.00 C ATOM 838 CG GLU A 46 -49.607 -17.142 12.823 1.00 20.00 C ATOM 839 CD GLU A 46 -48.944 -18.468 12.520 1.00 20.00 C ATOM 840 OE1 GLU A 46 -49.589 -19.518 12.720 1.00 20.00 O ATOM 841 OE2 GLU A 46 -47.774 -18.469 12.081 1.00 20.00 O ATOM 0 H GLU A 46 -49.100 -15.599 10.837 1.00 20.00 H new ATOM 0 HA GLU A 46 -50.365 -17.981 10.214 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -51.284 -15.936 12.269 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -51.613 -17.657 12.288 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -48.901 -16.335 12.626 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -49.853 -17.099 13.884 1.00 20.00 H new ATOM 848 N ARG A 47 -52.239 -15.310 9.693 1.00 20.00 N ATOM 849 CA ARG A 47 -53.461 -14.834 9.049 1.00 20.00 C ATOM 850 C ARG A 47 -53.403 -15.076 7.545 1.00 20.00 C ATOM 851 O ARG A 47 -54.397 -15.468 6.929 1.00 20.00 O ATOM 852 CB ARG A 47 -53.675 -13.341 9.318 1.00 20.00 C ATOM 853 CG ARG A 47 -53.672 -12.964 10.794 1.00 20.00 C ATOM 854 CD ARG A 47 -54.063 -11.509 10.996 1.00 20.00 C ATOM 855 NE ARG A 47 -53.268 -10.599 10.170 1.00 20.00 N ATOM 856 CZ ARG A 47 -53.478 -9.287 10.095 1.00 20.00 C ATOM 857 NH1 ARG A 47 -54.426 -8.716 10.830 1.00 20.00 N ATOM 858 NH2 ARG A 47 -52.727 -8.541 9.298 1.00 20.00 N ATOM 0 H ARG A 47 -51.636 -14.570 10.052 1.00 20.00 H new ATOM 0 HA ARG A 47 -54.297 -15.392 9.470 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -52.894 -12.776 8.809 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -54.625 -13.037 8.879 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -54.365 -13.607 11.337 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -52.681 -13.138 11.213 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -55.119 -11.383 10.758 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -53.939 -11.244 12.046 1.00 20.00 H new ATOM 0 HE ARG A 47 -52.507 -10.995 9.618 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -54.997 -9.284 11.456 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -54.582 -7.710 10.768 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -51.988 -8.972 8.742 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -52.888 -7.535 9.240 1.00 20.00 H new ATOM 872 N ARG A 48 -52.230 -14.848 6.964 1.00 20.00 N ATOM 873 CA ARG A 48 -52.019 -15.051 5.533 1.00 20.00 C ATOM 874 C ARG A 48 -52.239 -16.512 5.165 1.00 20.00 C ATOM 875 O ARG A 48 -52.808 -16.828 4.118 1.00 20.00 O ATOM 876 CB ARG A 48 -50.598 -14.632 5.149 1.00 20.00 C ATOM 877 CG ARG A 48 -50.286 -14.783 3.668 1.00 20.00 C ATOM 878 CD ARG A 48 -48.830 -14.462 3.370 1.00 20.00 C ATOM 879 NE ARG A 48 -48.478 -13.097 3.756 1.00 20.00 N ATOM 880 CZ ARG A 48 -47.277 -12.736 4.209 1.00 20.00 C ATOM 881 NH1 ARG A 48 -46.314 -13.641 4.358 1.00 20.00 N ATOM 882 NH2 ARG A 48 -47.041 -11.467 4.521 1.00 20.00 N ATOM 0 H ARG A 48 -51.405 -14.520 7.465 1.00 20.00 H new ATOM 0 HA ARG A 48 -52.736 -14.438 4.987 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -50.447 -13.592 5.437 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -49.887 -15.228 5.722 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -50.507 -15.802 3.350 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -50.931 -14.122 3.090 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -48.188 -15.165 3.901 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -48.640 -14.598 2.305 1.00 20.00 H new ATOM 0 HE ARG A 48 -49.195 -12.376 3.674 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -46.492 -14.618 4.125 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -45.398 -13.358 4.705 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -47.778 -10.770 4.414 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -46.123 -11.189 4.868 1.00 20.00 H new ATOM 896 N MET A 49 -51.784 -17.395 6.037 1.00 20.00 N ATOM 897 CA MET A 49 -51.899 -18.827 5.818 1.00 20.00 C ATOM 898 C MET A 49 -53.310 -19.305 6.140 1.00 20.00 C ATOM 899 O MET A 49 -53.820 -20.241 5.525 1.00 20.00 O ATOM 900 CB MET A 49 -50.879 -19.562 6.689 1.00 20.00 C ATOM 901 CG MET A 49 -50.655 -21.008 6.282 1.00 20.00 C ATOM 902 SD MET A 49 -50.077 -21.169 4.581 1.00 20.00 S ATOM 903 CE MET A 49 -48.596 -20.161 4.624 1.00 20.00 C ATOM 0 H MET A 49 -51.327 -17.142 6.913 1.00 20.00 H new ATOM 0 HA MET A 49 -51.697 -19.042 4.769 1.00 20.00 H new ATOM 0 HB2 MET A 49 -49.928 -19.031 6.646 1.00 20.00 H new ATOM 0 HB3 MET A 49 -51.213 -19.534 7.726 1.00 20.00 H new ATOM 0 HG2 MET A 49 -49.926 -21.462 6.954 1.00 20.00 H new ATOM 0 HG3 MET A 49 -51.586 -21.563 6.399 1.00 20.00 H new ATOM 0 HE1 MET A 49 -47.963 -20.407 3.771 1.00 20.00 H new ATOM 0 HE2 MET A 49 -48.872 -19.107 4.579 1.00 20.00 H new ATOM 0 HE3 MET A 49 -48.051 -20.354 5.548 1.00 20.00 H new ATOM 913 N ALA A 50 -53.941 -18.637 7.098 1.00 20.00 N ATOM 914 CA ALA A 50 -55.278 -19.000 7.549 1.00 20.00 C ATOM 915 C ALA A 50 -56.302 -18.915 6.425 1.00 20.00 C ATOM 916 O ALA A 50 -57.105 -19.830 6.247 1.00 20.00 O ATOM 917 CB ALA A 50 -55.703 -18.111 8.704 1.00 20.00 C ATOM 0 H ALA A 50 -53.542 -17.832 7.582 1.00 20.00 H new ATOM 0 HA ALA A 50 -55.238 -20.037 7.883 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -56.704 -18.393 9.031 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -55.004 -18.230 9.531 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -55.707 -17.070 8.380 1.00 20.00 H new ATOM 923 N GLU A 51 -56.263 -17.827 5.659 1.00 20.00 N ATOM 924 CA GLU A 51 -57.234 -17.614 4.586 1.00 20.00 C ATOM 925 C GLU A 51 -57.095 -18.675 3.499 1.00 20.00 C ATOM 926 O GLU A 51 -58.034 -18.936 2.747 1.00 20.00 O ATOM 927 CB GLU A 51 -57.086 -16.222 3.968 1.00 20.00 C ATOM 928 CG GLU A 51 -55.788 -16.019 3.205 1.00 20.00 C ATOM 929 CD GLU A 51 -55.851 -14.835 2.266 1.00 20.00 C ATOM 930 OE1 GLU A 51 -55.614 -13.695 2.717 1.00 20.00 O ATOM 931 OE2 GLU A 51 -56.140 -15.039 1.068 1.00 20.00 O ATOM 0 H GLU A 51 -55.574 -17.082 5.760 1.00 20.00 H new ATOM 0 HA GLU A 51 -58.225 -17.694 5.032 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -57.924 -16.044 3.293 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -57.151 -15.476 4.760 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -54.972 -15.875 3.913 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -55.560 -16.920 2.635 1.00 20.00 H new ATOM 938 N ARG A 52 -55.918 -19.277 3.418 1.00 20.00 N ATOM 939 CA ARG A 52 -55.675 -20.344 2.462 1.00 20.00 C ATOM 940 C ARG A 52 -56.426 -21.597 2.889 1.00 20.00 C ATOM 941 O ARG A 52 -57.197 -22.167 2.118 1.00 20.00 O ATOM 942 CB ARG A 52 -54.175 -20.642 2.348 1.00 20.00 C ATOM 943 CG ARG A 52 -53.365 -19.522 1.709 1.00 20.00 C ATOM 944 CD ARG A 52 -51.880 -19.854 1.692 1.00 20.00 C ATOM 945 NE ARG A 52 -51.617 -21.138 1.044 1.00 20.00 N ATOM 946 CZ ARG A 52 -50.400 -21.623 0.803 1.00 20.00 C ATOM 947 NH1 ARG A 52 -49.317 -20.909 1.098 1.00 20.00 N ATOM 948 NH2 ARG A 52 -50.271 -22.823 0.252 1.00 20.00 N ATOM 0 H ARG A 52 -55.116 -19.044 4.004 1.00 20.00 H new ATOM 0 HA ARG A 52 -56.034 -20.023 1.484 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -53.778 -20.840 3.344 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -54.040 -21.552 1.764 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -53.714 -19.354 0.690 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -53.526 -18.595 2.258 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -51.338 -19.066 1.170 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -51.502 -19.879 2.714 1.00 20.00 H new ATOM 0 HE ARG A 52 -52.419 -21.700 0.757 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -49.415 -19.982 1.512 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -48.389 -21.289 0.910 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -51.100 -23.368 0.016 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -49.342 -23.201 0.064 1.00 20.00 H new ATOM 962 N PHE A 53 -56.227 -21.995 4.139 1.00 20.00 N ATOM 963 CA PHE A 53 -56.894 -23.168 4.683 1.00 20.00 C ATOM 964 C PHE A 53 -58.389 -22.923 4.840 1.00 20.00 C ATOM 965 O PHE A 53 -59.185 -23.855 4.782 1.00 20.00 O ATOM 966 CB PHE A 53 -56.279 -23.560 6.024 1.00 20.00 C ATOM 967 CG PHE A 53 -54.907 -24.157 5.897 1.00 20.00 C ATOM 968 CD1 PHE A 53 -54.724 -25.374 5.255 1.00 20.00 C ATOM 969 CD2 PHE A 53 -53.799 -23.509 6.420 1.00 20.00 C ATOM 970 CE1 PHE A 53 -53.465 -25.929 5.138 1.00 20.00 C ATOM 971 CE2 PHE A 53 -52.538 -24.062 6.304 1.00 20.00 C ATOM 972 CZ PHE A 53 -52.371 -25.272 5.663 1.00 20.00 C ATOM 0 H PHE A 53 -55.607 -21.521 4.796 1.00 20.00 H new ATOM 0 HA PHE A 53 -56.755 -23.989 3.980 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -56.226 -22.679 6.663 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -56.934 -24.275 6.521 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -55.576 -25.893 4.842 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -53.923 -22.562 6.924 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -53.337 -26.877 4.636 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -51.683 -23.547 6.715 1.00 20.00 H new ATOM 0 HZ PHE A 53 -51.386 -25.704 5.572 1.00 20.00 H new ATOM 982 N ALA A 54 -58.761 -21.663 5.028 1.00 20.00 N ATOM 983 CA ALA A 54 -60.162 -21.279 5.134 1.00 20.00 C ATOM 984 C ALA A 54 -60.925 -21.668 3.873 1.00 20.00 C ATOM 985 O ALA A 54 -62.062 -22.135 3.939 1.00 20.00 O ATOM 986 CB ALA A 54 -60.281 -19.783 5.384 1.00 20.00 C ATOM 0 H ALA A 54 -58.106 -20.885 5.111 1.00 20.00 H new ATOM 0 HA ALA A 54 -60.601 -21.812 5.978 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -61.333 -19.510 5.461 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -59.771 -19.528 6.313 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -59.824 -19.239 4.558 1.00 20.00 H new ATOM 992 N LYS A 55 -60.281 -21.491 2.728 1.00 20.00 N ATOM 993 CA LYS A 55 -60.877 -21.851 1.449 1.00 20.00 C ATOM 994 C LYS A 55 -60.881 -23.365 1.272 1.00 20.00 C ATOM 995 O LYS A 55 -61.756 -23.927 0.611 1.00 20.00 O ATOM 996 CB LYS A 55 -60.110 -21.190 0.304 1.00 20.00 C ATOM 997 CG LYS A 55 -60.117 -19.670 0.355 1.00 20.00 C ATOM 998 CD LYS A 55 -59.355 -19.075 -0.814 1.00 20.00 C ATOM 999 CE LYS A 55 -59.323 -17.556 -0.748 1.00 20.00 C ATOM 1000 NZ LYS A 55 -58.625 -17.060 0.467 1.00 20.00 N ATOM 0 H LYS A 55 -59.342 -21.099 2.659 1.00 20.00 H new ATOM 0 HA LYS A 55 -61.907 -21.495 1.434 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -59.078 -21.540 0.321 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -60.540 -21.514 -0.644 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -61.145 -19.309 0.343 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -59.672 -19.333 1.291 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -58.336 -19.461 -0.819 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -59.819 -19.389 -1.749 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -58.825 -17.166 -1.636 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -60.343 -17.172 -0.761 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -59.298 -16.542 1.067 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -58.237 -17.866 0.998 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -57.851 -16.424 0.187 1.00 20.00 H new ATOM 1014 N MET A 56 -59.908 -24.021 1.891 1.00 20.00 N ATOM 1015 CA MET A 56 -59.778 -25.474 1.811 1.00 20.00 C ATOM 1016 C MET A 56 -60.776 -26.163 2.738 1.00 20.00 C ATOM 1017 O MET A 56 -60.907 -27.387 2.729 1.00 20.00 O ATOM 1018 CB MET A 56 -58.352 -25.904 2.171 1.00 20.00 C ATOM 1019 CG MET A 56 -57.289 -25.402 1.202 1.00 20.00 C ATOM 1020 SD MET A 56 -55.613 -25.805 1.738 1.00 20.00 S ATOM 1021 CE MET A 56 -55.718 -27.587 1.887 1.00 20.00 C ATOM 0 H MET A 56 -59.192 -23.568 2.458 1.00 20.00 H new ATOM 0 HA MET A 56 -59.993 -25.774 0.785 1.00 20.00 H new ATOM 0 HB2 MET A 56 -58.116 -25.542 3.172 1.00 20.00 H new ATOM 0 HB3 MET A 56 -58.310 -26.993 2.208 1.00 20.00 H new ATOM 0 HG2 MET A 56 -57.466 -25.836 0.218 1.00 20.00 H new ATOM 0 HG3 MET A 56 -57.382 -24.321 1.095 1.00 20.00 H new ATOM 0 HE1 MET A 56 -54.715 -28.013 1.876 1.00 20.00 H new ATOM 0 HE2 MET A 56 -56.212 -27.845 2.824 1.00 20.00 H new ATOM 0 HE3 MET A 56 -56.292 -27.989 1.052 1.00 20.00 H new ATOM 1031 N ARG A 57 -61.462 -25.374 3.555 1.00 20.00 N ATOM 1032 CA ARG A 57 -62.494 -25.900 4.439 1.00 20.00 C ATOM 1033 C ARG A 57 -63.861 -25.764 3.791 1.00 20.00 C ATOM 1034 O ARG A 57 -64.799 -26.484 4.132 1.00 20.00 O ATOM 1035 CB ARG A 57 -62.459 -25.182 5.787 1.00 20.00 C ATOM 1036 CG ARG A 57 -61.171 -25.431 6.548 1.00 20.00 C ATOM 1037 CD ARG A 57 -61.102 -24.627 7.833 1.00 20.00 C ATOM 1038 NE ARG A 57 -59.815 -24.804 8.497 1.00 20.00 N ATOM 1039 CZ ARG A 57 -59.331 -23.984 9.424 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -60.034 -22.927 9.816 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -58.138 -24.224 9.953 1.00 20.00 N ATOM 0 H ARG A 57 -61.322 -24.366 3.624 1.00 20.00 H new ATOM 0 HA ARG A 57 -62.300 -26.958 4.613 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -62.581 -24.111 5.627 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -63.304 -25.512 6.392 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -61.087 -26.493 6.780 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -60.321 -25.175 5.915 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -61.259 -23.571 7.613 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -61.905 -24.936 8.502 1.00 20.00 H new ATOM 0 HE ARG A 57 -59.249 -25.610 8.232 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -60.949 -22.742 9.405 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -59.659 -22.300 10.528 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -57.598 -25.034 9.648 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -57.761 -23.599 10.665 1.00 20.00 H new