USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=3 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= -1.57! K(o=-1.6!,f=-0.0069) USER MOD Single : A 20 SER OG : rot 84:sc= 1.21 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00319 K(o=-0.0032,f=-0.92) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 172:sc= 0 (180deg=-0.0685) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -32.232 -1.250 2.535 1.00 20.00 N ATOM 365 CA GLU A 16 -31.642 -2.143 1.544 1.00 20.00 C ATOM 366 C GLU A 16 -30.120 -2.028 1.514 1.00 20.00 C ATOM 367 O GLU A 16 -29.430 -3.012 1.255 1.00 20.00 O ATOM 368 CB GLU A 16 -32.220 -1.874 0.148 1.00 20.00 C ATOM 369 CG GLU A 16 -31.900 -0.496 -0.417 1.00 20.00 C ATOM 370 CD GLU A 16 -32.391 -0.325 -1.841 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.631 -0.646 -2.779 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.537 0.135 -2.031 1.00 20.00 O ATOM 0 HA GLU A 16 -31.897 -3.161 1.839 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.842 -2.631 -0.539 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -33.303 -1.993 0.188 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.355 0.267 0.215 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -30.822 -0.335 -0.386 1.00 20.00 H new ATOM 379 N GLN A 17 -29.601 -0.838 1.800 1.00 20.00 N ATOM 380 CA GLN A 17 -28.159 -0.610 1.758 1.00 20.00 C ATOM 381 C GLN A 17 -27.438 -1.494 2.771 1.00 20.00 C ATOM 382 O GLN A 17 -26.428 -2.121 2.453 1.00 20.00 O ATOM 383 CB GLN A 17 -27.816 0.862 2.012 1.00 20.00 C ATOM 384 CG GLN A 17 -28.322 1.810 0.937 1.00 20.00 C ATOM 385 CD GLN A 17 -27.755 3.209 1.092 1.00 20.00 C ATOM 386 OE1 GLN A 17 -28.319 4.045 1.799 1.00 20.00 O ATOM 387 NE2 GLN A 17 -26.643 3.479 0.425 1.00 20.00 N ATOM 0 H GLN A 17 -30.152 -0.021 2.062 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.819 -0.872 0.756 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -28.235 1.161 2.972 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.734 0.964 2.091 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.055 1.419 -0.045 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -29.410 1.855 0.977 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.206 2.759 -0.150 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -26.224 4.407 0.487 1.00 20.00 H new ATOM 396 N GLU A 18 -27.974 -1.571 3.979 1.00 20.00 N ATOM 397 CA GLU A 18 -27.366 -2.379 5.025 1.00 20.00 C ATOM 398 C GLU A 18 -27.702 -3.849 4.825 1.00 20.00 C ATOM 399 O GLU A 18 -26.884 -4.728 5.101 1.00 20.00 O ATOM 400 CB GLU A 18 -27.821 -1.908 6.408 1.00 20.00 C ATOM 401 CG GLU A 18 -27.292 -0.533 6.785 1.00 20.00 C ATOM 402 CD GLU A 18 -25.779 -0.496 6.864 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.124 -0.347 5.814 1.00 20.00 O ATOM 404 OE2 GLU A 18 -25.236 -0.613 7.982 1.00 20.00 O ATOM 0 H GLU A 18 -28.826 -1.086 4.259 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.284 -2.260 4.963 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.910 -1.890 6.437 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.495 -2.632 7.155 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.632 0.198 6.051 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.710 -0.237 7.747 1.00 20.00 H new ATOM 411 N ASN A 19 -28.899 -4.110 4.312 1.00 20.00 N ATOM 412 CA ASN A 19 -29.338 -5.480 4.057 1.00 20.00 C ATOM 413 C ASN A 19 -28.529 -6.113 2.931 1.00 20.00 C ATOM 414 O ASN A 19 -28.462 -7.331 2.824 1.00 20.00 O ATOM 415 CB ASN A 19 -30.833 -5.537 3.720 1.00 20.00 C ATOM 416 CG ASN A 19 -31.727 -5.393 4.940 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.831 -5.934 4.979 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.261 -4.668 5.943 1.00 20.00 N ATOM 0 H ASN A 19 -29.582 -3.394 4.065 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.170 -6.047 4.973 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.069 -4.745 3.009 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.052 -6.484 3.227 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.822 -4.542 6.785 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.340 -4.234 5.874 1.00 20.00 H new ATOM 425 N SER A 20 -27.904 -5.281 2.103 1.00 20.00 N ATOM 426 CA SER A 20 -27.051 -5.778 1.028 1.00 20.00 C ATOM 427 C SER A 20 -25.833 -6.502 1.598 1.00 20.00 C ATOM 428 O SER A 20 -25.364 -7.493 1.034 1.00 20.00 O ATOM 429 CB SER A 20 -26.609 -4.628 0.119 1.00 20.00 C ATOM 430 OG SER A 20 -27.728 -3.993 -0.478 1.00 20.00 O ATOM 0 H SER A 20 -27.971 -4.265 2.155 1.00 20.00 H new ATOM 0 HA SER A 20 -27.628 -6.488 0.435 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.040 -3.901 0.698 1.00 20.00 H new ATOM 0 HB3 SER A 20 -25.945 -5.008 -0.657 1.00 20.00 H new ATOM 0 HG SER A 20 -28.098 -3.331 0.142 1.00 20.00 H new ATOM 436 N TYR A 21 -25.336 -6.019 2.730 1.00 20.00 N ATOM 437 CA TYR A 21 -24.204 -6.651 3.388 1.00 20.00 C ATOM 438 C TYR A 21 -24.672 -7.891 4.138 1.00 20.00 C ATOM 439 O TYR A 21 -23.985 -8.913 4.161 1.00 20.00 O ATOM 440 CB TYR A 21 -23.515 -5.671 4.343 1.00 20.00 C ATOM 441 CG TYR A 21 -22.260 -6.229 4.982 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.109 -6.432 4.230 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.223 -6.548 6.335 1.00 20.00 C ATOM 444 CE1 TYR A 21 -19.959 -6.938 4.806 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.077 -7.055 6.918 1.00 20.00 C ATOM 446 CZ TYR A 21 -19.948 -7.248 6.150 1.00 20.00 C ATOM 447 OH TYR A 21 -18.801 -7.747 6.731 1.00 20.00 O ATOM 0 H TYR A 21 -25.699 -5.195 3.209 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.478 -6.948 2.631 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.262 -4.762 3.797 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.217 -5.387 5.127 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.113 -6.190 3.177 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.105 -6.397 6.940 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.073 -7.090 4.207 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.066 -7.299 7.970 1.00 20.00 H new ATOM 0 HH TYR A 21 -18.962 -7.912 7.684 1.00 20.00 H new ATOM 457 N ASN A 22 -25.855 -7.796 4.740 1.00 20.00 N ATOM 458 CA ASN A 22 -26.468 -8.942 5.407 1.00 20.00 C ATOM 459 C ASN A 22 -26.713 -10.055 4.401 1.00 20.00 C ATOM 460 O ASN A 22 -26.483 -11.222 4.690 1.00 20.00 O ATOM 461 CB ASN A 22 -27.792 -8.558 6.082 1.00 20.00 C ATOM 462 CG ASN A 22 -27.614 -7.602 7.247 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.577 -7.596 7.910 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.639 -6.808 7.521 1.00 20.00 N ATOM 0 H ASN A 22 -26.407 -6.939 4.780 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.780 -9.286 6.179 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.450 -8.101 5.343 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.288 -9.462 6.435 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.586 -6.160 8.307 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.481 -6.845 6.946 1.00 20.00 H new ATOM 471 N GLU A 23 -27.167 -9.671 3.213 1.00 20.00 N ATOM 472 CA GLU A 23 -27.412 -10.611 2.127 1.00 20.00 C ATOM 473 C GLU A 23 -26.132 -11.367 1.778 1.00 20.00 C ATOM 474 O GLU A 23 -26.132 -12.593 1.665 1.00 20.00 O ATOM 475 CB GLU A 23 -27.928 -9.858 0.897 1.00 20.00 C ATOM 476 CG GLU A 23 -28.371 -10.761 -0.240 1.00 20.00 C ATOM 477 CD GLU A 23 -29.667 -11.477 0.058 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.630 -12.568 0.657 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.735 -10.954 -0.319 1.00 20.00 O ATOM 0 H GLU A 23 -27.375 -8.701 2.977 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.164 -11.332 2.448 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.766 -9.228 1.195 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.143 -9.194 0.535 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.489 -10.167 -1.146 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -27.592 -11.496 -0.440 1.00 20.00 H new ATOM 486 N TRP A 24 -25.044 -10.618 1.633 1.00 20.00 N ATOM 487 CA TRP A 24 -23.746 -11.184 1.281 1.00 20.00 C ATOM 488 C TRP A 24 -23.254 -12.143 2.364 1.00 20.00 C ATOM 489 O TRP A 24 -22.738 -13.223 2.069 1.00 20.00 O ATOM 490 CB TRP A 24 -22.733 -10.052 1.060 1.00 20.00 C ATOM 491 CG TRP A 24 -21.342 -10.525 0.765 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.849 -10.918 -0.445 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.263 -10.646 1.698 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.532 -11.283 -0.319 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.148 -11.125 0.987 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.131 -10.398 3.069 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -17.921 -11.360 1.597 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -18.913 -10.632 3.674 1.00 20.00 C ATOM 499 CH2 TRP A 24 -17.821 -11.109 2.939 1.00 20.00 C ATOM 0 H TRP A 24 -25.036 -9.605 1.756 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.852 -11.754 0.358 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.076 -9.428 0.235 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.710 -9.421 1.948 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.412 -10.939 -1.366 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.935 -11.618 -1.075 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -20.968 -10.030 3.644 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.077 -11.727 1.032 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -18.800 -10.444 4.732 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -16.881 -11.282 3.441 1.00 20.00 H new ATOM 510 N LEU A 25 -23.429 -11.749 3.619 1.00 20.00 N ATOM 511 CA LEU A 25 -22.977 -12.557 4.742 1.00 20.00 C ATOM 512 C LEU A 25 -23.886 -13.768 4.930 1.00 20.00 C ATOM 513 O LEU A 25 -23.425 -14.863 5.254 1.00 20.00 O ATOM 514 CB LEU A 25 -22.937 -11.704 6.017 1.00 20.00 C ATOM 515 CG LEU A 25 -22.372 -12.394 7.263 1.00 20.00 C ATOM 516 CD1 LEU A 25 -20.945 -12.868 7.020 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.421 -11.452 8.457 1.00 20.00 C ATOM 0 H LEU A 25 -23.881 -10.874 3.884 1.00 20.00 H new ATOM 0 HA LEU A 25 -21.971 -12.920 4.533 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.342 -10.813 5.817 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.950 -11.368 6.239 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.989 -13.266 7.479 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.565 -13.355 7.918 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -20.933 -13.576 6.191 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -20.314 -12.013 6.776 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.016 -11.956 9.335 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.828 -10.563 8.243 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -23.454 -11.162 8.649 1.00 20.00 H new ATOM 529 N ARG A 26 -25.177 -13.566 4.704 1.00 20.00 N ATOM 530 CA ARG A 26 -26.164 -14.631 4.822 1.00 20.00 C ATOM 531 C ARG A 26 -25.963 -15.663 3.718 1.00 20.00 C ATOM 532 O ARG A 26 -26.195 -16.854 3.919 1.00 20.00 O ATOM 533 CB ARG A 26 -27.579 -14.046 4.750 1.00 20.00 C ATOM 534 CG ARG A 26 -28.692 -15.060 4.965 1.00 20.00 C ATOM 535 CD ARG A 26 -30.061 -14.417 4.801 1.00 20.00 C ATOM 536 NE ARG A 26 -31.147 -15.353 5.082 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.407 -15.180 4.679 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.740 -14.109 3.966 1.00 20.00 N ATOM 539 NH2 ARG A 26 -33.334 -16.078 4.989 1.00 20.00 N ATOM 0 H ARG A 26 -25.569 -12.663 4.435 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.035 -15.124 5.786 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.672 -13.259 5.499 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.715 -13.577 3.776 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.584 -15.879 4.253 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.607 -15.491 5.962 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.140 -13.560 5.469 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.164 -14.039 3.784 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.928 -16.191 5.620 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.031 -13.416 3.725 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.704 -13.980 3.660 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -33.083 -16.902 5.536 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -34.297 -15.944 4.680 1.00 20.00 H new ATOM 553 N ALA A 27 -25.501 -15.195 2.564 1.00 20.00 N ATOM 554 CA ALA A 27 -25.269 -16.061 1.414 1.00 20.00 C ATOM 555 C ALA A 27 -24.175 -17.081 1.698 1.00 20.00 C ATOM 556 O ALA A 27 -24.133 -18.148 1.087 1.00 20.00 O ATOM 557 CB ALA A 27 -24.905 -15.233 0.197 1.00 20.00 C ATOM 0 H ALA A 27 -25.278 -14.213 2.400 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.193 -16.604 1.215 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.735 -15.892 -0.654 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.720 -14.547 -0.033 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.998 -14.664 0.402 1.00 20.00 H new ATOM 563 N LYS A 28 -23.294 -16.748 2.633 1.00 20.00 N ATOM 564 CA LYS A 28 -22.222 -17.653 3.015 1.00 20.00 C ATOM 565 C LYS A 28 -22.792 -18.880 3.715 1.00 20.00 C ATOM 566 O LYS A 28 -22.253 -19.982 3.600 1.00 20.00 O ATOM 567 CB LYS A 28 -21.201 -16.952 3.917 1.00 20.00 C ATOM 568 CG LYS A 28 -20.451 -15.814 3.233 1.00 20.00 C ATOM 569 CD LYS A 28 -19.330 -15.268 4.108 1.00 20.00 C ATOM 570 CE LYS A 28 -18.274 -16.328 4.403 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.135 -15.778 5.182 1.00 20.00 N ATOM 0 H LYS A 28 -23.302 -15.862 3.138 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.708 -17.970 2.108 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.715 -16.560 4.794 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.480 -17.688 4.273 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.036 -16.168 2.289 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.149 -15.011 2.993 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.863 -14.418 3.611 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.747 -14.900 5.045 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.729 -17.149 4.957 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.905 -16.743 3.465 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.441 -16.531 5.361 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.684 -15.012 4.643 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.482 -15.405 6.089 1.00 20.00 H new ATOM 585 N VAL A 29 -23.892 -18.688 4.430 1.00 20.00 N ATOM 586 CA VAL A 29 -24.565 -19.785 5.108 1.00 20.00 C ATOM 587 C VAL A 29 -25.614 -20.408 4.196 1.00 20.00 C ATOM 588 O VAL A 29 -25.623 -21.620 3.978 1.00 20.00 O ATOM 589 CB VAL A 29 -25.231 -19.317 6.419 1.00 20.00 C ATOM 590 CG1 VAL A 29 -26.013 -20.449 7.071 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.183 -18.773 7.372 1.00 20.00 C ATOM 0 H VAL A 29 -24.338 -17.779 4.555 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.809 -20.530 5.355 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.935 -18.520 6.180 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.472 -20.091 7.993 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -26.790 -20.794 6.389 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.338 -21.274 7.299 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.664 -18.446 8.294 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.457 -19.554 7.599 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.674 -17.928 6.909 1.00 20.00 H new ATOM 772 N HIS A 42 -8.894 -31.513 -4.423 1.00 20.00 N ATOM 773 CA HIS A 42 -7.934 -32.274 -3.628 1.00 20.00 C ATOM 774 C HIS A 42 -7.523 -33.565 -4.328 1.00 20.00 C ATOM 775 O HIS A 42 -6.515 -34.172 -3.971 1.00 20.00 O ATOM 776 CB HIS A 42 -8.505 -32.582 -2.241 1.00 20.00 C ATOM 777 CG HIS A 42 -8.561 -31.390 -1.331 1.00 20.00 C ATOM 778 ND1 HIS A 42 -7.818 -31.292 -0.177 1.00 20.00 N ATOM 779 CD2 HIS A 42 -9.280 -30.245 -1.408 1.00 20.00 C ATOM 780 CE1 HIS A 42 -8.079 -30.144 0.418 1.00 20.00 C ATOM 781 NE2 HIS A 42 -8.963 -29.487 -0.308 1.00 20.00 N ATOM 0 HA HIS A 42 -7.043 -31.657 -3.514 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -9.510 -32.989 -2.354 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -7.898 -33.357 -1.772 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -9.975 -29.977 -2.190 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -7.642 -29.800 1.344 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -9.347 -28.568 -0.089 1.00 20.00 H new ATOM 790 N ASP A 43 -8.297 -33.970 -5.333 1.00 20.00 N ATOM 791 CA ASP A 43 -7.988 -35.170 -6.114 1.00 20.00 C ATOM 792 C ASP A 43 -6.594 -35.073 -6.712 1.00 20.00 C ATOM 793 O ASP A 43 -5.817 -36.028 -6.669 1.00 20.00 O ATOM 794 CB ASP A 43 -8.995 -35.372 -7.253 1.00 20.00 C ATOM 795 CG ASP A 43 -10.427 -35.469 -6.778 1.00 20.00 C ATOM 796 OD1 ASP A 43 -10.887 -36.590 -6.479 1.00 20.00 O ATOM 797 OD2 ASP A 43 -11.108 -34.425 -6.725 1.00 20.00 O ATOM 0 H ASP A 43 -9.145 -33.485 -5.627 1.00 20.00 H new ATOM 0 HA ASP A 43 -8.044 -36.019 -5.433 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -8.908 -34.543 -7.956 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -8.738 -36.280 -7.798 1.00 20.00 H new ATOM 802 N GLU A 44 -6.276 -33.899 -7.245 1.00 20.00 N ATOM 803 CA GLU A 44 -4.999 -33.681 -7.913 1.00 20.00 C ATOM 804 C GLU A 44 -3.857 -33.700 -6.907 1.00 20.00 C ATOM 805 O GLU A 44 -2.761 -34.177 -7.200 1.00 20.00 O ATOM 806 CB GLU A 44 -5.002 -32.352 -8.675 1.00 20.00 C ATOM 807 CG GLU A 44 -5.998 -32.305 -9.824 1.00 20.00 C ATOM 808 CD GLU A 44 -5.881 -31.036 -10.641 1.00 20.00 C ATOM 809 OE1 GLU A 44 -4.812 -30.809 -11.244 1.00 20.00 O ATOM 810 OE2 GLU A 44 -6.862 -30.268 -10.703 1.00 20.00 O ATOM 0 H GLU A 44 -6.887 -33.082 -7.227 1.00 20.00 H new ATOM 0 HA GLU A 44 -4.852 -34.491 -8.627 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -5.227 -31.545 -7.978 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -4.002 -32.166 -9.066 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -5.840 -33.167 -10.473 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -7.010 -32.386 -9.427 1.00 20.00 H new ATOM 817 N VAL A 45 -4.134 -33.196 -5.714 1.00 20.00 N ATOM 818 CA VAL A 45 -3.137 -33.122 -4.659 1.00 20.00 C ATOM 819 C VAL A 45 -2.836 -34.510 -4.105 1.00 20.00 C ATOM 820 O VAL A 45 -1.675 -34.915 -4.000 1.00 20.00 O ATOM 821 CB VAL A 45 -3.608 -32.202 -3.514 1.00 20.00 C ATOM 822 CG1 VAL A 45 -2.540 -32.080 -2.442 1.00 20.00 C ATOM 823 CG2 VAL A 45 -3.986 -30.832 -4.056 1.00 20.00 C ATOM 0 H VAL A 45 -5.049 -32.830 -5.452 1.00 20.00 H new ATOM 0 HA VAL A 45 -2.229 -32.704 -5.094 1.00 20.00 H new ATOM 0 HB VAL A 45 -4.491 -32.649 -3.058 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -2.896 -31.426 -1.646 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -2.322 -33.066 -2.032 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -1.633 -31.660 -2.878 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -4.316 -30.195 -3.236 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -3.120 -30.381 -4.540 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -4.793 -30.938 -4.781 1.00 20.00 H new ATOM 833 N GLU A 46 -3.894 -35.240 -3.774 1.00 20.00 N ATOM 834 CA GLU A 46 -3.761 -36.583 -3.217 1.00 20.00 C ATOM 835 C GLU A 46 -3.052 -37.510 -4.194 1.00 20.00 C ATOM 836 O GLU A 46 -2.102 -38.196 -3.824 1.00 20.00 O ATOM 837 CB GLU A 46 -5.132 -37.159 -2.849 1.00 20.00 C ATOM 838 CG GLU A 46 -5.868 -36.344 -1.798 1.00 20.00 C ATOM 839 CD GLU A 46 -5.128 -36.300 -0.478 1.00 20.00 C ATOM 840 OE1 GLU A 46 -4.219 -35.457 -0.321 1.00 20.00 O ATOM 841 OE2 GLU A 46 -5.451 -37.110 0.412 1.00 20.00 O ATOM 0 H GLU A 46 -4.858 -34.924 -3.882 1.00 20.00 H new ATOM 0 HA GLU A 46 -3.159 -36.508 -2.311 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -5.746 -37.218 -3.748 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -5.003 -38.178 -2.483 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -6.011 -35.328 -2.165 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -6.859 -36.769 -1.641 1.00 20.00 H new ATOM 848 N ARG A 47 -3.500 -37.507 -5.444 1.00 20.00 N ATOM 849 CA ARG A 47 -2.910 -38.356 -6.475 1.00 20.00 C ATOM 850 C ARG A 47 -1.420 -38.068 -6.634 1.00 20.00 C ATOM 851 O ARG A 47 -0.613 -38.982 -6.816 1.00 20.00 O ATOM 852 CB ARG A 47 -3.632 -38.147 -7.811 1.00 20.00 C ATOM 853 CG ARG A 47 -3.021 -38.926 -8.966 1.00 20.00 C ATOM 854 CD ARG A 47 -3.802 -38.728 -10.256 1.00 20.00 C ATOM 855 NE ARG A 47 -5.174 -39.220 -10.147 1.00 20.00 N ATOM 856 CZ ARG A 47 -6.058 -39.187 -11.141 1.00 20.00 C ATOM 857 NH1 ARG A 47 -5.713 -38.696 -12.325 1.00 20.00 N ATOM 858 NH2 ARG A 47 -7.287 -39.653 -10.948 1.00 20.00 N ATOM 0 H ARG A 47 -4.272 -36.925 -5.770 1.00 20.00 H new ATOM 0 HA ARG A 47 -3.026 -39.395 -6.166 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -4.676 -38.440 -7.699 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -3.623 -37.085 -8.056 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -1.989 -38.608 -9.113 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -2.995 -39.987 -8.716 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -3.816 -37.669 -10.512 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -3.295 -39.246 -11.070 1.00 20.00 H new ATOM 0 HE ARG A 47 -5.472 -39.613 -9.254 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -4.768 -38.343 -12.475 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -6.393 -38.672 -13.085 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -7.551 -40.035 -10.040 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -7.967 -39.629 -11.708 1.00 20.00 H new ATOM 872 N ARG A 48 -1.062 -36.794 -6.547 1.00 20.00 N ATOM 873 CA ARG A 48 0.323 -36.374 -6.707 1.00 20.00 C ATOM 874 C ARG A 48 1.176 -36.822 -5.521 1.00 20.00 C ATOM 875 O ARG A 48 2.246 -37.403 -5.699 1.00 20.00 O ATOM 876 CB ARG A 48 0.390 -34.851 -6.854 1.00 20.00 C ATOM 877 CG ARG A 48 1.803 -34.308 -6.997 1.00 20.00 C ATOM 878 CD ARG A 48 1.813 -32.789 -7.058 1.00 20.00 C ATOM 879 NE ARG A 48 3.167 -32.253 -7.186 1.00 20.00 N ATOM 880 CZ ARG A 48 3.441 -30.972 -7.425 1.00 20.00 C ATOM 881 NH1 ARG A 48 2.457 -30.092 -7.559 1.00 20.00 N ATOM 882 NH2 ARG A 48 4.701 -30.566 -7.521 1.00 20.00 N ATOM 0 H ARG A 48 -1.714 -36.031 -6.366 1.00 20.00 H new ATOM 0 HA ARG A 48 0.721 -36.844 -7.607 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -0.193 -34.554 -7.726 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -0.079 -34.391 -5.985 1.00 20.00 H new ATOM 0 HG2 ARG A 48 2.410 -34.643 -6.156 1.00 20.00 H new ATOM 0 HG3 ARG A 48 2.260 -34.712 -7.900 1.00 20.00 H new ATOM 0 HD2 ARG A 48 1.211 -32.457 -7.903 1.00 20.00 H new ATOM 0 HD3 ARG A 48 1.348 -32.387 -6.158 1.00 20.00 H new ATOM 0 HE ARG A 48 3.950 -32.900 -7.086 1.00 20.00 H new ATOM 0 HH11 ARG A 48 1.487 -30.396 -7.479 1.00 20.00 H new ATOM 0 HH12 ARG A 48 2.671 -29.112 -7.742 1.00 20.00 H new ATOM 0 HH21 ARG A 48 5.462 -31.236 -7.412 1.00 20.00 H new ATOM 0 HH22 ARG A 48 4.908 -29.584 -7.704 1.00 20.00 H new ATOM 896 N MET A 49 0.688 -36.567 -4.316 1.00 20.00 N ATOM 897 CA MET A 49 1.468 -36.818 -3.112 1.00 20.00 C ATOM 898 C MET A 49 1.443 -38.287 -2.706 1.00 20.00 C ATOM 899 O MET A 49 2.489 -38.880 -2.455 1.00 20.00 O ATOM 900 CB MET A 49 0.964 -35.955 -1.950 1.00 20.00 C ATOM 901 CG MET A 49 1.226 -34.469 -2.120 1.00 20.00 C ATOM 902 SD MET A 49 0.609 -33.501 -0.728 1.00 20.00 S ATOM 903 CE MET A 49 1.019 -31.840 -1.259 1.00 20.00 C ATOM 0 H MET A 49 -0.243 -36.187 -4.145 1.00 20.00 H new ATOM 0 HA MET A 49 2.499 -36.551 -3.344 1.00 20.00 H new ATOM 0 HB2 MET A 49 -0.108 -36.113 -1.833 1.00 20.00 H new ATOM 0 HB3 MET A 49 1.438 -36.293 -1.029 1.00 20.00 H new ATOM 0 HG2 MET A 49 2.297 -34.301 -2.230 1.00 20.00 H new ATOM 0 HG3 MET A 49 0.754 -34.122 -3.039 1.00 20.00 H new ATOM 0 HE1 MET A 49 0.575 -31.119 -0.573 1.00 20.00 H new ATOM 0 HE2 MET A 49 2.102 -31.717 -1.265 1.00 20.00 H new ATOM 0 HE3 MET A 49 0.630 -31.672 -2.263 1.00 20.00 H new ATOM 913 N ALA A 50 0.253 -38.872 -2.658 1.00 20.00 N ATOM 914 CA ALA A 50 0.073 -40.212 -2.108 1.00 20.00 C ATOM 915 C ALA A 50 0.781 -41.282 -2.932 1.00 20.00 C ATOM 916 O ALA A 50 1.614 -42.017 -2.408 1.00 20.00 O ATOM 917 CB ALA A 50 -1.405 -40.539 -1.983 1.00 20.00 C ATOM 0 H ALA A 50 -0.606 -38.438 -2.995 1.00 20.00 H new ATOM 0 HA ALA A 50 0.530 -40.213 -1.118 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -1.522 -41.541 -1.571 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -1.883 -39.817 -1.321 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -1.872 -40.494 -2.967 1.00 20.00 H new ATOM 923 N GLU A 51 0.463 -41.354 -4.222 1.00 20.00 N ATOM 924 CA GLU A 51 0.983 -42.421 -5.077 1.00 20.00 C ATOM 925 C GLU A 51 2.506 -42.404 -5.145 1.00 20.00 C ATOM 926 O GLU A 51 3.147 -43.456 -5.184 1.00 20.00 O ATOM 927 CB GLU A 51 0.397 -42.329 -6.487 1.00 20.00 C ATOM 928 CG GLU A 51 -1.090 -42.648 -6.554 1.00 20.00 C ATOM 929 CD GLU A 51 -1.573 -42.847 -7.975 1.00 20.00 C ATOM 930 OE1 GLU A 51 -1.182 -43.852 -8.602 1.00 20.00 O ATOM 931 OE2 GLU A 51 -2.349 -42.004 -8.474 1.00 20.00 O ATOM 0 H GLU A 51 -0.149 -40.691 -4.698 1.00 20.00 H new ATOM 0 HA GLU A 51 0.676 -43.365 -4.627 1.00 20.00 H new ATOM 0 HB2 GLU A 51 0.562 -41.324 -6.874 1.00 20.00 H new ATOM 0 HB3 GLU A 51 0.936 -43.015 -7.140 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -1.292 -43.549 -5.975 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -1.654 -41.838 -6.091 1.00 20.00 H new ATOM 938 N ARG A 52 3.087 -41.215 -5.141 1.00 20.00 N ATOM 939 CA ARG A 52 4.535 -41.086 -5.216 1.00 20.00 C ATOM 940 C ARG A 52 5.174 -41.360 -3.861 1.00 20.00 C ATOM 941 O ARG A 52 6.257 -41.941 -3.781 1.00 20.00 O ATOM 942 CB ARG A 52 4.933 -39.697 -5.722 1.00 20.00 C ATOM 943 CG ARG A 52 4.552 -39.442 -7.173 1.00 20.00 C ATOM 944 CD ARG A 52 5.070 -38.099 -7.659 1.00 20.00 C ATOM 945 NE ARG A 52 4.785 -37.885 -9.078 1.00 20.00 N ATOM 946 CZ ARG A 52 5.519 -37.116 -9.880 1.00 20.00 C ATOM 947 NH1 ARG A 52 6.578 -36.472 -9.402 1.00 20.00 N ATOM 948 NH2 ARG A 52 5.193 -36.990 -11.159 1.00 20.00 N ATOM 0 H ARG A 52 2.583 -40.330 -5.087 1.00 20.00 H new ATOM 0 HA ARG A 52 4.901 -41.828 -5.925 1.00 20.00 H new ATOM 0 HB2 ARG A 52 4.461 -38.942 -5.094 1.00 20.00 H new ATOM 0 HB3 ARG A 52 6.011 -39.575 -5.612 1.00 20.00 H new ATOM 0 HG2 ARG A 52 4.955 -40.237 -7.801 1.00 20.00 H new ATOM 0 HG3 ARG A 52 3.467 -39.473 -7.276 1.00 20.00 H new ATOM 0 HD2 ARG A 52 4.615 -37.301 -7.073 1.00 20.00 H new ATOM 0 HD3 ARG A 52 6.146 -38.043 -7.492 1.00 20.00 H new ATOM 0 HE ARG A 52 3.973 -38.355 -9.478 1.00 20.00 H new ATOM 0 HH11 ARG A 52 6.831 -36.566 -8.418 1.00 20.00 H new ATOM 0 HH12 ARG A 52 7.138 -35.884 -10.019 1.00 20.00 H new ATOM 0 HH21 ARG A 52 4.380 -37.482 -11.529 1.00 20.00 H new ATOM 0 HH22 ARG A 52 5.755 -36.401 -11.773 1.00 20.00 H new ATOM 962 N PHE A 53 4.494 -40.963 -2.792 1.00 20.00 N ATOM 963 CA PHE A 53 5.021 -41.161 -1.450 1.00 20.00 C ATOM 964 C PHE A 53 4.885 -42.622 -1.042 1.00 20.00 C ATOM 965 O PHE A 53 5.610 -43.106 -0.175 1.00 20.00 O ATOM 966 CB PHE A 53 4.301 -40.264 -0.443 1.00 20.00 C ATOM 967 CG PHE A 53 5.048 -40.103 0.849 1.00 20.00 C ATOM 968 CD1 PHE A 53 6.224 -39.370 0.894 1.00 20.00 C ATOM 969 CD2 PHE A 53 4.581 -40.681 2.017 1.00 20.00 C ATOM 970 CE1 PHE A 53 6.919 -39.221 2.077 1.00 20.00 C ATOM 971 CE2 PHE A 53 5.273 -40.534 3.203 1.00 20.00 C ATOM 972 CZ PHE A 53 6.443 -39.803 3.233 1.00 20.00 C ATOM 0 H PHE A 53 3.583 -40.505 -2.829 1.00 20.00 H new ATOM 0 HA PHE A 53 6.077 -40.890 -1.455 1.00 20.00 H new ATOM 0 HB2 PHE A 53 4.144 -39.282 -0.889 1.00 20.00 H new ATOM 0 HB3 PHE A 53 3.315 -40.681 -0.235 1.00 20.00 H new ATOM 0 HD1 PHE A 53 6.601 -38.910 -0.008 1.00 20.00 H new ATOM 0 HD2 PHE A 53 3.665 -41.253 2.001 1.00 20.00 H new ATOM 0 HE1 PHE A 53 7.835 -38.649 2.097 1.00 20.00 H new ATOM 0 HE2 PHE A 53 4.899 -40.991 4.107 1.00 20.00 H new ATOM 0 HZ PHE A 53 6.985 -39.687 4.160 1.00 20.00 H new ATOM 982 N ALA A 54 3.954 -43.319 -1.679 1.00 20.00 N ATOM 983 CA ALA A 54 3.764 -44.743 -1.450 1.00 20.00 C ATOM 984 C ALA A 54 5.038 -45.513 -1.774 1.00 20.00 C ATOM 985 O ALA A 54 5.440 -46.421 -1.040 1.00 20.00 O ATOM 986 CB ALA A 54 2.605 -45.256 -2.290 1.00 20.00 C ATOM 0 H ALA A 54 3.314 -42.916 -2.364 1.00 20.00 H new ATOM 0 HA ALA A 54 3.530 -44.898 -0.397 1.00 20.00 H new ATOM 0 HB1 ALA A 54 2.471 -46.323 -2.112 1.00 20.00 H new ATOM 0 HB2 ALA A 54 1.694 -44.725 -2.016 1.00 20.00 H new ATOM 0 HB3 ALA A 54 2.819 -45.089 -3.346 1.00 20.00 H new ATOM 992 N LYS A 55 5.690 -45.125 -2.863 1.00 20.00 N ATOM 993 CA LYS A 55 6.933 -45.762 -3.277 1.00 20.00 C ATOM 994 C LYS A 55 8.084 -45.298 -2.387 1.00 20.00 C ATOM 995 O LYS A 55 9.138 -45.926 -2.329 1.00 20.00 O ATOM 996 CB LYS A 55 7.218 -45.450 -4.750 1.00 20.00 C ATOM 997 CG LYS A 55 8.406 -46.209 -5.330 1.00 20.00 C ATOM 998 CD LYS A 55 8.521 -46.014 -6.832 1.00 20.00 C ATOM 999 CE LYS A 55 8.706 -44.551 -7.203 1.00 20.00 C ATOM 1000 NZ LYS A 55 8.832 -44.359 -8.670 1.00 20.00 N ATOM 0 H LYS A 55 5.378 -44.372 -3.476 1.00 20.00 H new ATOM 0 HA LYS A 55 6.834 -46.842 -3.169 1.00 20.00 H new ATOM 0 HB2 LYS A 55 6.330 -45.683 -5.338 1.00 20.00 H new ATOM 0 HB3 LYS A 55 7.398 -44.380 -4.855 1.00 20.00 H new ATOM 0 HG2 LYS A 55 9.324 -45.871 -4.848 1.00 20.00 H new ATOM 0 HG3 LYS A 55 8.302 -47.271 -5.108 1.00 20.00 H new ATOM 0 HD2 LYS A 55 9.364 -46.593 -7.209 1.00 20.00 H new ATOM 0 HD3 LYS A 55 7.625 -46.401 -7.318 1.00 20.00 H new ATOM 0 HE2 LYS A 55 7.858 -43.974 -6.834 1.00 20.00 H new ATOM 0 HE3 LYS A 55 9.596 -44.162 -6.709 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 8.956 -43.348 -8.878 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 9.656 -44.889 -9.020 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 7.972 -44.706 -9.141 1.00 20.00 H new ATOM 1014 N MET A 56 7.857 -44.201 -1.677 1.00 20.00 N ATOM 1015 CA MET A 56 8.840 -43.671 -0.739 1.00 20.00 C ATOM 1016 C MET A 56 8.668 -44.312 0.635 1.00 20.00 C ATOM 1017 O MET A 56 9.505 -44.147 1.522 1.00 20.00 O ATOM 1018 CB MET A 56 8.714 -42.149 -0.626 1.00 20.00 C ATOM 1019 CG MET A 56 9.005 -41.410 -1.924 1.00 20.00 C ATOM 1020 SD MET A 56 8.719 -39.634 -1.795 1.00 20.00 S ATOM 1021 CE MET A 56 9.244 -39.095 -3.420 1.00 20.00 C ATOM 0 H MET A 56 6.996 -43.657 -1.733 1.00 20.00 H new ATOM 0 HA MET A 56 9.833 -43.912 -1.118 1.00 20.00 H new ATOM 0 HB2 MET A 56 7.705 -41.901 -0.296 1.00 20.00 H new ATOM 0 HB3 MET A 56 9.398 -41.793 0.145 1.00 20.00 H new ATOM 0 HG2 MET A 56 10.041 -41.587 -2.213 1.00 20.00 H new ATOM 0 HG3 MET A 56 8.379 -41.818 -2.717 1.00 20.00 H new ATOM 0 HE1 MET A 56 9.128 -38.014 -3.500 1.00 20.00 H new ATOM 0 HE2 MET A 56 10.291 -39.360 -3.571 1.00 20.00 H new ATOM 0 HE3 MET A 56 8.633 -39.582 -4.180 1.00 20.00 H new ATOM 1031 N ARG A 57 7.568 -45.031 0.810 1.00 20.00 N ATOM 1032 CA ARG A 57 7.338 -45.783 2.035 1.00 20.00 C ATOM 1033 C ARG A 57 7.993 -47.151 1.928 1.00 20.00 C ATOM 1034 O ARG A 57 8.474 -47.701 2.916 1.00 20.00 O ATOM 1035 CB ARG A 57 5.840 -45.940 2.308 1.00 20.00 C ATOM 1036 CG ARG A 57 5.143 -44.633 2.644 1.00 20.00 C ATOM 1037 CD ARG A 57 3.639 -44.814 2.745 1.00 20.00 C ATOM 1038 NE ARG A 57 2.969 -43.579 3.143 1.00 20.00 N ATOM 1039 CZ ARG A 57 1.828 -43.140 2.614 1.00 20.00 C ATOM 1040 NH1 ARG A 57 1.212 -43.837 1.663 1.00 20.00 N ATOM 1041 NH2 ARG A 57 1.295 -42.003 3.045 1.00 20.00 N ATOM 0 H ARG A 57 6.821 -45.109 0.119 1.00 20.00 H new ATOM 0 HA ARG A 57 7.780 -45.233 2.866 1.00 20.00 H new ATOM 0 HB2 ARG A 57 5.364 -46.381 1.432 1.00 20.00 H new ATOM 0 HB3 ARG A 57 5.701 -46.639 3.133 1.00 20.00 H new ATOM 0 HG2 ARG A 57 5.528 -44.246 3.588 1.00 20.00 H new ATOM 0 HG3 ARG A 57 5.371 -43.891 1.879 1.00 20.00 H new ATOM 0 HD2 ARG A 57 3.248 -45.146 1.783 1.00 20.00 H new ATOM 0 HD3 ARG A 57 3.415 -45.598 3.468 1.00 20.00 H new ATOM 0 HE ARG A 57 3.403 -43.016 3.874 1.00 20.00 H new ATOM 0 HH11 ARG A 57 1.613 -44.715 1.333 1.00 20.00 H new ATOM 0 HH12 ARG A 57 0.339 -43.493 1.264 1.00 20.00 H new ATOM 0 HH21 ARG A 57 1.759 -41.468 3.779 1.00 20.00 H new ATOM 0 HH22 ARG A 57 0.421 -41.664 2.642 1.00 20.00 H new