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 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc=-0.00667 X(o=-0.0067,f=0) USER MOD Single : A 49 MET CE :methyl -159:sc= -0.065 (180deg=-0.679) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0302) USER MOD Single : A 56 MET CE :methyl -167:sc= -0.0374 (180deg=-0.321) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.045 0.180 3.378 1.00 20.00 N ATOM 365 CA GLU A 16 -31.184 -0.616 2.163 1.00 20.00 C ATOM 366 C GLU A 16 -29.855 -1.273 1.794 1.00 20.00 C ATOM 367 O GLU A 16 -29.803 -2.459 1.474 1.00 20.00 O ATOM 368 CB GLU A 16 -31.672 0.282 1.020 1.00 20.00 C ATOM 369 CG GLU A 16 -31.896 -0.445 -0.294 1.00 20.00 C ATOM 370 CD GLU A 16 -32.952 -1.526 -0.195 1.00 20.00 C ATOM 371 OE1 GLU A 16 -34.153 -1.197 -0.238 1.00 20.00 O ATOM 372 OE2 GLU A 16 -32.582 -2.715 -0.084 1.00 20.00 O ATOM 0 HA GLU A 16 -31.914 -1.407 2.337 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.605 0.759 1.321 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.944 1.077 0.862 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.191 0.276 -1.057 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -30.957 -0.890 -0.622 1.00 20.00 H new ATOM 379 N GLN A 17 -28.778 -0.498 1.867 1.00 20.00 N ATOM 380 CA GLN A 17 -27.448 -1.004 1.550 1.00 20.00 C ATOM 381 C GLN A 17 -26.993 -2.031 2.585 1.00 20.00 C ATOM 382 O GLN A 17 -26.342 -3.020 2.245 1.00 20.00 O ATOM 383 CB GLN A 17 -26.442 0.147 1.475 1.00 20.00 C ATOM 384 CG GLN A 17 -25.037 -0.292 1.096 1.00 20.00 C ATOM 385 CD GLN A 17 -24.058 0.864 1.048 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.428 1.200 2.052 1.00 20.00 O ATOM 387 NE2 GLN A 17 -23.915 1.472 -0.120 1.00 20.00 N ATOM 0 H GLN A 17 -28.801 0.484 2.143 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.497 -1.494 0.578 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.793 0.878 0.747 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.407 0.651 2.441 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.685 -1.032 1.815 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.064 -0.781 0.122 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -24.457 1.161 -0.926 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -23.263 2.251 -0.213 1.00 20.00 H new ATOM 396 N GLU A 18 -27.360 -1.808 3.843 1.00 20.00 N ATOM 397 CA GLU A 18 -26.945 -2.696 4.926 1.00 20.00 C ATOM 398 C GLU A 18 -27.567 -4.074 4.749 1.00 20.00 C ATOM 399 O GLU A 18 -26.912 -5.092 4.963 1.00 20.00 O ATOM 400 CB GLU A 18 -27.335 -2.115 6.291 1.00 20.00 C ATOM 401 CG GLU A 18 -26.857 -2.945 7.474 1.00 20.00 C ATOM 402 CD GLU A 18 -27.345 -2.404 8.800 1.00 20.00 C ATOM 403 OE1 GLU A 18 -28.435 -2.816 9.247 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.642 -1.569 9.405 1.00 20.00 O ATOM 0 H GLU A 18 -27.942 -1.024 4.138 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.860 -2.789 4.889 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.926 -1.108 6.377 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.420 -2.023 6.339 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.202 -3.972 7.356 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.767 -2.973 7.476 1.00 20.00 H new ATOM 411 N ASN A 19 -28.828 -4.099 4.336 1.00 20.00 N ATOM 412 CA ASN A 19 -29.525 -5.359 4.104 1.00 20.00 C ATOM 413 C ASN A 19 -28.973 -6.060 2.873 1.00 20.00 C ATOM 414 O ASN A 19 -29.017 -7.285 2.772 1.00 20.00 O ATOM 415 CB ASN A 19 -31.033 -5.145 3.963 1.00 20.00 C ATOM 416 CG ASN A 19 -31.709 -4.929 5.303 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.124 -5.884 5.959 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.818 -3.679 5.727 1.00 20.00 N ATOM 0 H ASN A 19 -29.387 -3.265 4.155 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.355 -5.994 4.973 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.217 -4.283 3.322 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.476 -6.010 3.470 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.258 -3.482 6.626 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.462 -2.913 5.155 1.00 20.00 H new ATOM 425 N SER A 20 -28.430 -5.280 1.948 1.00 20.00 N ATOM 426 CA SER A 20 -27.781 -5.845 0.780 1.00 20.00 C ATOM 427 C SER A 20 -26.520 -6.592 1.212 1.00 20.00 C ATOM 428 O SER A 20 -26.182 -7.636 0.651 1.00 20.00 O ATOM 429 CB SER A 20 -27.452 -4.748 -0.239 1.00 20.00 C ATOM 430 OG SER A 20 -26.989 -5.297 -1.465 1.00 20.00 O ATOM 0 H SER A 20 -28.427 -4.261 1.986 1.00 20.00 H new ATOM 0 HA SER A 20 -28.458 -6.549 0.296 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.340 -4.143 -0.423 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.693 -4.083 0.173 1.00 20.00 H new ATOM 0 HG SER A 20 -26.789 -4.572 -2.093 1.00 20.00 H new ATOM 436 N TYR A 21 -25.837 -6.063 2.229 1.00 20.00 N ATOM 437 CA TYR A 21 -24.690 -6.748 2.812 1.00 20.00 C ATOM 438 C TYR A 21 -25.157 -7.949 3.624 1.00 20.00 C ATOM 439 O TYR A 21 -24.503 -8.990 3.644 1.00 20.00 O ATOM 440 CB TYR A 21 -23.877 -5.813 3.716 1.00 20.00 C ATOM 441 CG TYR A 21 -23.237 -4.640 3.006 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.481 -4.820 1.855 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.378 -3.349 3.502 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.887 -3.746 1.218 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.790 -2.274 2.870 1.00 20.00 C ATOM 446 CZ TYR A 21 -22.045 -2.476 1.729 1.00 20.00 C ATOM 447 OH TYR A 21 -21.457 -1.403 1.101 1.00 20.00 O ATOM 0 H TYR A 21 -26.060 -5.167 2.662 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.051 -7.078 1.993 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.530 -5.432 4.501 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.095 -6.394 4.206 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.355 -5.814 1.451 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.958 -3.185 4.398 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -21.302 -3.902 0.324 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.913 -1.278 3.268 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.669 -0.581 1.591 1.00 20.00 H new ATOM 457 N ASN A 22 -26.298 -7.793 4.293 1.00 20.00 N ATOM 458 CA ASN A 22 -26.880 -8.868 5.095 1.00 20.00 C ATOM 459 C ASN A 22 -27.147 -10.097 4.244 1.00 20.00 C ATOM 460 O ASN A 22 -26.928 -11.222 4.683 1.00 20.00 O ATOM 461 CB ASN A 22 -28.184 -8.424 5.767 1.00 20.00 C ATOM 462 CG ASN A 22 -27.959 -7.474 6.927 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.908 -7.495 7.567 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.951 -6.646 7.224 1.00 20.00 N ATOM 0 H ASN A 22 -26.840 -6.929 4.295 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.154 -9.117 5.869 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.821 -7.940 5.027 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.720 -9.303 6.124 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.857 -5.998 8.006 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.808 -6.657 6.671 1.00 20.00 H new ATOM 471 N GLU A 23 -27.611 -9.876 3.020 1.00 20.00 N ATOM 472 CA GLU A 23 -27.878 -10.970 2.098 1.00 20.00 C ATOM 473 C GLU A 23 -26.586 -11.712 1.760 1.00 20.00 C ATOM 474 O GLU A 23 -26.581 -12.933 1.596 1.00 20.00 O ATOM 475 CB GLU A 23 -28.549 -10.447 0.826 1.00 20.00 C ATOM 476 CG GLU A 23 -28.940 -11.542 -0.153 1.00 20.00 C ATOM 477 CD GLU A 23 -29.744 -11.014 -1.320 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.144 -10.436 -2.252 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.983 -11.165 -1.309 1.00 20.00 O ATOM 0 H GLU A 23 -27.810 -8.949 2.644 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.559 -11.671 2.581 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.440 -9.883 1.101 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.873 -9.752 0.329 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.040 -12.029 -0.527 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.520 -12.302 0.370 1.00 20.00 H new ATOM 486 N TRP A 24 -25.488 -10.970 1.681 1.00 20.00 N ATOM 487 CA TRP A 24 -24.184 -11.559 1.407 1.00 20.00 C ATOM 488 C TRP A 24 -23.676 -12.324 2.629 1.00 20.00 C ATOM 489 O TRP A 24 -23.111 -13.410 2.505 1.00 20.00 O ATOM 490 CB TRP A 24 -23.182 -10.476 0.993 1.00 20.00 C ATOM 491 CG TRP A 24 -21.812 -11.010 0.714 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.454 -11.863 -0.290 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.614 -10.723 1.444 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.110 -12.129 -0.224 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.572 -11.442 0.830 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.321 -9.932 2.559 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.259 -11.391 1.291 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.017 -9.883 3.016 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.001 -10.608 2.383 1.00 20.00 C ATOM 0 H TRP A 24 -25.475 -9.957 1.803 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.289 -12.262 0.581 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.554 -9.968 0.103 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.119 -9.729 1.784 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -22.130 -12.269 -1.028 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.595 -12.740 -0.858 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.099 -9.370 3.054 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.473 -11.949 0.804 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -18.778 -9.275 3.876 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -16.992 -10.548 2.764 1.00 20.00 H new ATOM 510 N LEU A 25 -23.895 -11.758 3.810 1.00 20.00 N ATOM 511 CA LEU A 25 -23.520 -12.419 5.057 1.00 20.00 C ATOM 512 C LEU A 25 -24.330 -13.699 5.227 1.00 20.00 C ATOM 513 O LEU A 25 -23.816 -14.728 5.669 1.00 20.00 O ATOM 514 CB LEU A 25 -23.758 -11.491 6.254 1.00 20.00 C ATOM 515 CG LEU A 25 -22.991 -10.164 6.226 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.392 -9.292 7.408 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.489 -10.406 6.236 1.00 20.00 C ATOM 0 H LEU A 25 -24.330 -10.843 3.932 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.459 -12.664 5.014 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.824 -11.273 6.315 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.489 -12.026 7.165 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.248 -9.644 5.304 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.838 -8.354 7.373 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.461 -9.084 7.361 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.164 -9.813 8.338 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.966 -9.450 6.216 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.214 -10.951 7.139 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.209 -10.991 5.360 1.00 20.00 H new ATOM 529 N ARG A 26 -25.598 -13.620 4.854 1.00 20.00 N ATOM 530 CA ARG A 26 -26.504 -14.758 4.910 1.00 20.00 C ATOM 531 C ARG A 26 -26.088 -15.829 3.905 1.00 20.00 C ATOM 532 O ARG A 26 -26.250 -17.023 4.148 1.00 20.00 O ATOM 533 CB ARG A 26 -27.931 -14.285 4.629 1.00 20.00 C ATOM 534 CG ARG A 26 -28.968 -15.393 4.615 1.00 20.00 C ATOM 535 CD ARG A 26 -30.342 -14.844 4.278 1.00 20.00 C ATOM 536 NE ARG A 26 -31.331 -15.902 4.117 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.505 -15.726 3.522 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.846 -14.525 3.066 1.00 20.00 N ATOM 539 NH2 ARG A 26 -33.342 -16.745 3.390 1.00 20.00 N ATOM 0 H ARG A 26 -26.029 -12.764 4.504 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.461 -15.199 5.906 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.212 -13.550 5.383 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.949 -13.775 3.666 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.686 -16.151 3.885 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.996 -15.883 5.588 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.664 -14.165 5.067 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.283 -14.260 3.359 1.00 20.00 H new ATOM 0 HE ARG A 26 -31.109 -16.829 4.481 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.206 -13.738 3.173 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.748 -14.390 2.609 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -33.085 -17.666 3.746 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -34.244 -16.609 2.933 1.00 20.00 H new ATOM 553 N ALA A 27 -25.533 -15.396 2.785 1.00 20.00 N ATOM 554 CA ALA A 27 -25.055 -16.320 1.768 1.00 20.00 C ATOM 555 C ALA A 27 -23.885 -17.141 2.290 1.00 20.00 C ATOM 556 O ALA A 27 -23.704 -18.298 1.908 1.00 20.00 O ATOM 557 CB ALA A 27 -24.645 -15.564 0.517 1.00 20.00 C ATOM 0 H ALA A 27 -25.402 -14.411 2.556 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.869 -17.000 1.518 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.290 -16.269 -0.234 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.503 -15.017 0.125 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.848 -14.862 0.761 1.00 20.00 H new ATOM 563 N LYS A 28 -23.108 -16.535 3.183 1.00 20.00 N ATOM 564 CA LYS A 28 -21.909 -17.169 3.716 1.00 20.00 C ATOM 565 C LYS A 28 -22.231 -18.131 4.857 1.00 20.00 C ATOM 566 O LYS A 28 -21.468 -19.059 5.124 1.00 20.00 O ATOM 567 CB LYS A 28 -20.909 -16.120 4.207 1.00 20.00 C ATOM 568 CG LYS A 28 -20.384 -15.198 3.116 1.00 20.00 C ATOM 569 CD LYS A 28 -19.187 -14.395 3.599 1.00 20.00 C ATOM 570 CE LYS A 28 -19.510 -13.575 4.840 1.00 20.00 C ATOM 571 NZ LYS A 28 -18.310 -12.882 5.374 1.00 20.00 N ATOM 0 H LYS A 28 -23.289 -15.602 3.553 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.467 -17.739 2.899 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.384 -15.516 4.980 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.066 -16.629 4.674 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.101 -15.788 2.244 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.176 -14.519 2.799 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.361 -15.072 3.817 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.852 -13.730 2.803 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -20.277 -12.839 4.599 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -19.924 -14.228 5.609 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -18.572 -12.335 6.219 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.587 -13.585 5.628 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.929 -12.240 4.650 1.00 20.00 H new ATOM 585 N VAL A 29 -23.352 -17.913 5.534 1.00 20.00 N ATOM 586 CA VAL A 29 -23.719 -18.761 6.663 1.00 20.00 C ATOM 587 C VAL A 29 -24.365 -20.058 6.175 1.00 20.00 C ATOM 588 O VAL A 29 -24.418 -21.056 6.895 1.00 20.00 O ATOM 589 CB VAL A 29 -24.662 -18.031 7.655 1.00 20.00 C ATOM 590 CG1 VAL A 29 -26.048 -17.832 7.063 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.747 -18.780 8.976 1.00 20.00 C ATOM 0 H VAL A 29 -24.015 -17.167 5.325 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.800 -19.001 7.198 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.236 -17.046 7.845 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.682 -17.318 7.785 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.973 -17.234 6.155 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -26.484 -18.802 6.824 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.414 -18.248 9.654 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.133 -19.784 8.801 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.754 -18.846 9.421 1.00 20.00 H new ATOM 772 N HIS A 42 -38.359 -12.379 2.655 1.00 20.00 N ATOM 773 CA HIS A 42 -37.337 -11.656 3.419 1.00 20.00 C ATOM 774 C HIS A 42 -37.939 -10.956 4.635 1.00 20.00 C ATOM 775 O HIS A 42 -37.223 -10.559 5.550 1.00 20.00 O ATOM 776 CB HIS A 42 -36.589 -10.643 2.531 1.00 20.00 C ATOM 777 CG HIS A 42 -37.454 -9.584 1.902 1.00 20.00 C ATOM 778 ND1 HIS A 42 -37.880 -9.637 0.591 1.00 20.00 N ATOM 779 CD2 HIS A 42 -37.947 -8.426 2.404 1.00 20.00 C ATOM 780 CE1 HIS A 42 -38.593 -8.562 0.315 1.00 20.00 C ATOM 781 NE2 HIS A 42 -38.648 -7.812 1.398 1.00 20.00 N ATOM 0 HA HIS A 42 -36.619 -12.394 3.776 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -35.822 -10.154 3.131 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -36.075 -11.188 1.739 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -37.813 -8.055 3.410 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -39.053 -8.335 -0.635 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -39.134 -6.919 1.475 1.00 20.00 H new ATOM 790 N ASP A 43 -39.259 -10.813 4.637 1.00 20.00 N ATOM 791 CA ASP A 43 -39.977 -10.236 5.773 1.00 20.00 C ATOM 792 C ASP A 43 -39.903 -11.172 6.979 1.00 20.00 C ATOM 793 O ASP A 43 -40.018 -10.742 8.128 1.00 20.00 O ATOM 794 CB ASP A 43 -41.437 -9.962 5.389 1.00 20.00 C ATOM 795 CG ASP A 43 -42.251 -9.359 6.519 1.00 20.00 C ATOM 796 OD1 ASP A 43 -42.072 -8.159 6.816 1.00 20.00 O ATOM 797 OD2 ASP A 43 -43.086 -10.078 7.107 1.00 20.00 O ATOM 0 H ASP A 43 -39.859 -11.090 3.860 1.00 20.00 H new ATOM 0 HA ASP A 43 -39.507 -9.291 6.044 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -41.460 -9.287 4.533 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -41.903 -10.895 5.072 1.00 20.00 H new ATOM 802 N GLU A 44 -39.687 -12.452 6.704 1.00 20.00 N ATOM 803 CA GLU A 44 -39.546 -13.456 7.750 1.00 20.00 C ATOM 804 C GLU A 44 -38.124 -13.453 8.296 1.00 20.00 C ATOM 805 O GLU A 44 -37.903 -13.439 9.509 1.00 20.00 O ATOM 806 CB GLU A 44 -39.879 -14.845 7.200 1.00 20.00 C ATOM 807 CG GLU A 44 -41.319 -15.001 6.743 1.00 20.00 C ATOM 808 CD GLU A 44 -42.305 -14.904 7.886 1.00 20.00 C ATOM 809 OE1 GLU A 44 -42.513 -15.920 8.581 1.00 20.00 O ATOM 810 OE2 GLU A 44 -42.880 -13.817 8.093 1.00 20.00 O ATOM 0 H GLU A 44 -39.605 -12.821 5.757 1.00 20.00 H new ATOM 0 HA GLU A 44 -40.240 -13.214 8.555 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -39.217 -15.060 6.361 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -39.670 -15.588 7.969 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -41.547 -14.232 6.005 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -41.437 -15.964 6.247 1.00 20.00 H new ATOM 817 N VAL A 45 -37.165 -13.447 7.378 1.00 20.00 N ATOM 818 CA VAL A 45 -35.750 -13.488 7.731 1.00 20.00 C ATOM 819 C VAL A 45 -35.347 -12.234 8.493 1.00 20.00 C ATOM 820 O VAL A 45 -34.470 -12.281 9.353 1.00 20.00 O ATOM 821 CB VAL A 45 -34.861 -13.633 6.479 1.00 20.00 C ATOM 822 CG1 VAL A 45 -33.396 -13.794 6.864 1.00 20.00 C ATOM 823 CG2 VAL A 45 -35.326 -14.806 5.633 1.00 20.00 C ATOM 0 H VAL A 45 -37.344 -13.414 6.374 1.00 20.00 H new ATOM 0 HA VAL A 45 -35.602 -14.361 8.367 1.00 20.00 H new ATOM 0 HB VAL A 45 -34.953 -12.721 5.889 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -32.792 -13.894 5.962 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -33.069 -12.918 7.425 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -33.278 -14.685 7.481 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -34.689 -14.895 4.753 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -35.266 -15.723 6.219 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -36.357 -14.642 5.319 1.00 20.00 H new ATOM 833 N GLU A 46 -36.012 -11.126 8.176 1.00 20.00 N ATOM 834 CA GLU A 46 -35.780 -9.846 8.845 1.00 20.00 C ATOM 835 C GLU A 46 -35.738 -10.017 10.364 1.00 20.00 C ATOM 836 O GLU A 46 -34.874 -9.459 11.043 1.00 20.00 O ATOM 837 CB GLU A 46 -36.881 -8.849 8.462 1.00 20.00 C ATOM 838 CG GLU A 46 -36.689 -7.458 9.043 1.00 20.00 C ATOM 839 CD GLU A 46 -35.481 -6.743 8.473 1.00 20.00 C ATOM 840 OE1 GLU A 46 -35.602 -6.152 7.376 1.00 20.00 O ATOM 841 OE2 GLU A 46 -34.415 -6.753 9.124 1.00 20.00 O ATOM 0 H GLU A 46 -36.726 -11.089 7.449 1.00 20.00 H new ATOM 0 HA GLU A 46 -34.813 -9.462 8.519 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -36.926 -8.774 7.376 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -37.842 -9.240 8.795 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -37.582 -6.863 8.850 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -36.583 -7.533 10.125 1.00 20.00 H new ATOM 848 N ARG A 47 -36.657 -10.819 10.889 1.00 20.00 N ATOM 849 CA ARG A 47 -36.715 -11.062 12.319 1.00 20.00 C ATOM 850 C ARG A 47 -35.636 -12.051 12.741 1.00 20.00 C ATOM 851 O ARG A 47 -34.879 -11.794 13.675 1.00 20.00 O ATOM 852 CB ARG A 47 -38.097 -11.586 12.724 1.00 20.00 C ATOM 853 CG ARG A 47 -38.221 -11.848 14.216 1.00 20.00 C ATOM 854 CD ARG A 47 -39.649 -12.174 14.628 1.00 20.00 C ATOM 855 NE ARG A 47 -40.128 -13.426 14.047 1.00 20.00 N ATOM 856 CZ ARG A 47 -41.084 -14.178 14.592 1.00 20.00 C ATOM 857 NH1 ARG A 47 -41.635 -13.821 15.744 1.00 20.00 N ATOM 858 NH2 ARG A 47 -41.491 -15.285 13.985 1.00 20.00 N ATOM 0 H ARG A 47 -37.368 -11.309 10.346 1.00 20.00 H new ATOM 0 HA ARG A 47 -36.539 -10.115 12.829 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -38.855 -10.863 12.424 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -38.303 -12.508 12.181 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -37.567 -12.675 14.493 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -37.877 -10.972 14.766 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -39.705 -12.237 15.715 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -40.307 -11.360 14.322 1.00 20.00 H new ATOM 0 HE ARG A 47 -39.706 -13.743 13.174 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -41.327 -12.970 16.214 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -42.367 -14.398 16.160 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -41.072 -15.564 13.098 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -42.223 -15.858 14.406 1.00 20.00 H new ATOM 872 N ARG A 48 -35.552 -13.168 12.027 1.00 20.00 N ATOM 873 CA ARG A 48 -34.638 -14.247 12.390 1.00 20.00 C ATOM 874 C ARG A 48 -33.181 -13.796 12.354 1.00 20.00 C ATOM 875 O ARG A 48 -32.394 -14.151 13.231 1.00 20.00 O ATOM 876 CB ARG A 48 -34.838 -15.447 11.468 1.00 20.00 C ATOM 877 CG ARG A 48 -36.216 -16.078 11.577 1.00 20.00 C ATOM 878 CD ARG A 48 -36.529 -16.500 13.008 1.00 20.00 C ATOM 879 NE ARG A 48 -37.813 -17.189 13.107 1.00 20.00 N ATOM 880 CZ ARG A 48 -38.546 -17.249 14.219 1.00 20.00 C ATOM 881 NH1 ARG A 48 -38.163 -16.603 15.312 1.00 20.00 N ATOM 882 NH2 ARG A 48 -39.678 -17.940 14.232 1.00 20.00 N ATOM 0 H ARG A 48 -36.107 -13.351 11.191 1.00 20.00 H new ATOM 0 HA ARG A 48 -34.869 -14.538 13.415 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -34.672 -15.134 10.437 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -34.084 -16.200 11.698 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -36.969 -15.369 11.233 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -36.272 -16.946 10.921 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -35.738 -17.154 13.374 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -36.539 -15.620 13.651 1.00 20.00 H new ATOM 0 HE ARG A 48 -38.172 -17.654 12.273 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -37.302 -16.056 15.306 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -38.729 -16.654 16.159 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -39.988 -18.426 13.391 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -40.238 -17.985 15.083 1.00 20.00 H new ATOM 896 N MET A 49 -32.824 -13.007 11.350 1.00 20.00 N ATOM 897 CA MET A 49 -31.458 -12.520 11.221 1.00 20.00 C ATOM 898 C MET A 49 -31.123 -11.583 12.375 1.00 20.00 C ATOM 899 O MET A 49 -30.013 -11.612 12.910 1.00 20.00 O ATOM 900 CB MET A 49 -31.263 -11.799 9.886 1.00 20.00 C ATOM 901 CG MET A 49 -29.828 -11.358 9.647 1.00 20.00 C ATOM 902 SD MET A 49 -29.609 -10.455 8.102 1.00 20.00 S ATOM 903 CE MET A 49 -30.043 -11.714 6.901 1.00 20.00 C ATOM 0 H MET A 49 -33.458 -12.692 10.616 1.00 20.00 H new ATOM 0 HA MET A 49 -30.785 -13.377 11.252 1.00 20.00 H new ATOM 0 HB2 MET A 49 -31.573 -12.459 9.076 1.00 20.00 H new ATOM 0 HB3 MET A 49 -31.915 -10.926 9.853 1.00 20.00 H new ATOM 0 HG2 MET A 49 -29.505 -10.729 10.477 1.00 20.00 H new ATOM 0 HG3 MET A 49 -29.181 -12.235 9.642 1.00 20.00 H new ATOM 0 HE1 MET A 49 -29.615 -11.456 5.932 1.00 20.00 H new ATOM 0 HE2 MET A 49 -29.651 -12.678 7.226 1.00 20.00 H new ATOM 0 HE3 MET A 49 -31.128 -11.775 6.814 1.00 20.00 H new ATOM 913 N ALA A 50 -32.098 -10.766 12.761 1.00 20.00 N ATOM 914 CA ALA A 50 -31.939 -9.852 13.882 1.00 20.00 C ATOM 915 C ALA A 50 -31.765 -10.625 15.182 1.00 20.00 C ATOM 916 O ALA A 50 -30.948 -10.262 16.033 1.00 20.00 O ATOM 917 CB ALA A 50 -33.132 -8.915 13.974 1.00 20.00 C ATOM 0 H ALA A 50 -33.011 -10.720 12.309 1.00 20.00 H new ATOM 0 HA ALA A 50 -31.042 -9.255 13.716 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -32.998 -8.237 14.817 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -33.213 -8.337 13.053 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -34.042 -9.498 14.117 1.00 20.00 H new ATOM 923 N GLU A 51 -32.535 -11.697 15.324 1.00 20.00 N ATOM 924 CA GLU A 51 -32.453 -12.547 16.503 1.00 20.00 C ATOM 925 C GLU A 51 -31.098 -13.236 16.566 1.00 20.00 C ATOM 926 O GLU A 51 -30.458 -13.275 17.617 1.00 20.00 O ATOM 927 CB GLU A 51 -33.560 -13.605 16.494 1.00 20.00 C ATOM 928 CG GLU A 51 -34.968 -13.036 16.450 1.00 20.00 C ATOM 929 CD GLU A 51 -36.027 -14.106 16.607 1.00 20.00 C ATOM 930 OE1 GLU A 51 -35.996 -15.105 15.853 1.00 20.00 O ATOM 931 OE2 GLU A 51 -36.900 -13.952 17.487 1.00 20.00 O ATOM 0 H GLU A 51 -33.224 -11.998 14.635 1.00 20.00 H new ATOM 0 HA GLU A 51 -32.579 -11.913 17.380 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -33.417 -14.256 15.632 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -33.460 -14.227 17.384 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -35.083 -12.296 17.242 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -35.118 -12.516 15.504 1.00 20.00 H new ATOM 938 N ARG A 52 -30.660 -13.766 15.428 1.00 20.00 N ATOM 939 CA ARG A 52 -29.393 -14.481 15.350 1.00 20.00 C ATOM 940 C ARG A 52 -28.216 -13.546 15.616 1.00 20.00 C ATOM 941 O ARG A 52 -27.211 -13.960 16.188 1.00 20.00 O ATOM 942 CB ARG A 52 -29.239 -15.165 13.985 1.00 20.00 C ATOM 943 CG ARG A 52 -27.920 -15.911 13.821 1.00 20.00 C ATOM 944 CD ARG A 52 -27.902 -16.767 12.564 1.00 20.00 C ATOM 945 NE ARG A 52 -28.023 -15.976 11.340 1.00 20.00 N ATOM 946 CZ ARG A 52 -28.329 -16.498 10.149 1.00 20.00 C ATOM 947 NH1 ARG A 52 -28.555 -17.803 10.029 1.00 20.00 N ATOM 948 NH2 ARG A 52 -28.397 -15.722 9.075 1.00 20.00 N ATOM 0 H ARG A 52 -31.167 -13.713 14.545 1.00 20.00 H new ATOM 0 HA ARG A 52 -29.395 -15.249 16.123 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -30.063 -15.865 13.844 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -29.322 -14.413 13.200 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -27.100 -15.194 13.783 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -27.750 -16.543 14.693 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -26.974 -17.339 12.532 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -28.719 -17.487 12.608 1.00 20.00 H new ATOM 0 HE ARG A 52 -27.865 -14.970 11.399 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -28.495 -18.408 10.848 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -28.788 -18.199 9.118 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -28.215 -14.722 9.156 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -28.631 -16.126 8.168 1.00 20.00 H new ATOM 962 N PHE A 53 -28.354 -12.285 15.218 1.00 20.00 N ATOM 963 CA PHE A 53 -27.318 -11.287 15.466 1.00 20.00 C ATOM 964 C PHE A 53 -27.021 -11.188 16.962 1.00 20.00 C ATOM 965 O PHE A 53 -25.868 -11.265 17.386 1.00 20.00 O ATOM 966 CB PHE A 53 -27.752 -9.923 14.914 1.00 20.00 C ATOM 967 CG PHE A 53 -26.772 -8.812 15.186 1.00 20.00 C ATOM 968 CD1 PHE A 53 -25.585 -8.720 14.474 1.00 20.00 C ATOM 969 CD2 PHE A 53 -27.038 -7.860 16.159 1.00 20.00 C ATOM 970 CE1 PHE A 53 -24.686 -7.699 14.728 1.00 20.00 C ATOM 971 CE2 PHE A 53 -26.143 -6.840 16.416 1.00 20.00 C ATOM 972 CZ PHE A 53 -24.965 -6.760 15.700 1.00 20.00 C ATOM 0 H PHE A 53 -29.172 -11.930 14.723 1.00 20.00 H new ATOM 0 HA PHE A 53 -26.407 -11.595 14.953 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -27.899 -10.008 13.837 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -28.716 -9.657 15.347 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -25.360 -9.453 13.713 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -27.957 -7.917 16.723 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -23.766 -7.637 14.166 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -26.364 -6.106 17.176 1.00 20.00 H new ATOM 0 HZ PHE A 53 -24.263 -5.964 15.900 1.00 20.00 H new ATOM 982 N ALA A 54 -28.073 -11.054 17.760 1.00 20.00 N ATOM 983 CA ALA A 54 -27.931 -10.975 19.206 1.00 20.00 C ATOM 984 C ALA A 54 -27.668 -12.358 19.793 1.00 20.00 C ATOM 985 O ALA A 54 -27.110 -12.490 20.884 1.00 20.00 O ATOM 986 CB ALA A 54 -29.176 -10.358 19.822 1.00 20.00 C ATOM 0 H ALA A 54 -29.036 -10.998 17.428 1.00 20.00 H new ATOM 0 HA ALA A 54 -27.078 -10.338 19.439 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -29.058 -10.304 20.904 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -29.321 -9.354 19.422 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -30.044 -10.973 19.582 1.00 20.00 H new ATOM 992 N LYS A 55 -28.057 -13.384 19.048 1.00 20.00 N ATOM 993 CA LYS A 55 -27.884 -14.768 19.472 1.00 20.00 C ATOM 994 C LYS A 55 -26.411 -15.160 19.402 1.00 20.00 C ATOM 995 O LYS A 55 -25.964 -16.073 20.092 1.00 20.00 O ATOM 996 CB LYS A 55 -28.726 -15.693 18.588 1.00 20.00 C ATOM 997 CG LYS A 55 -28.964 -17.079 19.170 1.00 20.00 C ATOM 998 CD LYS A 55 -29.921 -17.885 18.310 1.00 20.00 C ATOM 999 CE LYS A 55 -29.263 -18.378 17.028 1.00 20.00 C ATOM 1000 NZ LYS A 55 -28.324 -19.503 17.283 1.00 20.00 N ATOM 0 H LYS A 55 -28.500 -13.282 18.135 1.00 20.00 H new ATOM 0 HA LYS A 55 -28.219 -14.868 20.504 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -29.690 -15.220 18.404 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -28.233 -15.798 17.622 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -28.015 -17.608 19.254 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -29.368 -16.987 20.178 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -30.288 -18.739 18.880 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -30.787 -17.272 18.060 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -30.032 -18.699 16.326 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -28.725 -17.556 16.557 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -27.988 -19.887 16.377 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -27.513 -19.160 17.836 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -28.814 -20.250 17.815 1.00 20.00 H new ATOM 1014 N MET A 56 -25.662 -14.451 18.566 1.00 20.00 N ATOM 1015 CA MET A 56 -24.226 -14.669 18.453 1.00 20.00 C ATOM 1016 C MET A 56 -23.503 -14.067 19.650 1.00 20.00 C ATOM 1017 O MET A 56 -22.324 -14.335 19.879 1.00 20.00 O ATOM 1018 CB MET A 56 -23.678 -14.069 17.155 1.00 20.00 C ATOM 1019 CG MET A 56 -24.227 -14.723 15.895 1.00 20.00 C ATOM 1020 SD MET A 56 -23.990 -16.513 15.865 1.00 20.00 S ATOM 1021 CE MET A 56 -22.203 -16.623 15.941 1.00 20.00 C ATOM 0 H MET A 56 -26.026 -13.719 17.956 1.00 20.00 H new ATOM 0 HA MET A 56 -24.050 -15.745 18.434 1.00 20.00 H new ATOM 0 HB2 MET A 56 -23.911 -13.004 17.131 1.00 20.00 H new ATOM 0 HB3 MET A 56 -22.592 -14.158 17.155 1.00 20.00 H new ATOM 0 HG2 MET A 56 -25.291 -14.502 15.812 1.00 20.00 H new ATOM 0 HG3 MET A 56 -23.741 -14.284 15.024 1.00 20.00 H new ATOM 0 HE1 MET A 56 -21.890 -17.639 15.700 1.00 20.00 H new ATOM 0 HE2 MET A 56 -21.765 -15.929 15.224 1.00 20.00 H new ATOM 0 HE3 MET A 56 -21.865 -16.368 16.945 1.00 20.00 H new ATOM 1031 N ARG A 57 -24.218 -13.243 20.407 1.00 20.00 N ATOM 1032 CA ARG A 57 -23.689 -12.685 21.641 1.00 20.00 C ATOM 1033 C ARG A 57 -24.121 -13.547 22.817 1.00 20.00 C ATOM 1034 O ARG A 57 -23.293 -14.089 23.550 1.00 20.00 O ATOM 1035 CB ARG A 57 -24.173 -11.249 21.846 1.00 20.00 C ATOM 1036 CG ARG A 57 -23.720 -10.287 20.765 1.00 20.00 C ATOM 1037 CD ARG A 57 -24.043 -8.850 21.135 1.00 20.00 C ATOM 1038 NE ARG A 57 -23.367 -8.437 22.366 1.00 20.00 N ATOM 1039 CZ ARG A 57 -23.088 -7.172 22.676 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -23.414 -6.193 21.844 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -22.477 -6.885 23.820 1.00 20.00 N ATOM 0 H ARG A 57 -25.169 -12.947 20.185 1.00 20.00 H new ATOM 0 HA ARG A 57 -22.601 -12.672 21.575 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -25.262 -11.246 21.888 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -23.816 -10.890 22.811 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -22.646 -10.392 20.608 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -24.206 -10.540 19.823 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -23.747 -8.190 20.320 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -25.120 -8.741 21.258 1.00 20.00 H new ATOM 0 HE ARG A 57 -23.093 -9.163 23.028 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -23.880 -6.407 20.962 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -23.199 -5.226 22.085 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -22.220 -7.634 24.463 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -22.264 -5.916 24.055 1.00 20.00 H new