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= -0.634 X(o=-0.63,f=-0.3) USER MOD Single : A 19 ASN : amide:sc= 0.999 K(o=1,f=-0.4) USER MOD Single : A 20 SER OG : rot 115:sc= 0.0367 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0154 X(o=-0.015,f=0.041!) USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= -0.0465 (180deg=-0.385) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.00042) USER MOD Single : A 49 MET CE :methyl 161:sc= -0.159 (180deg=-0.701) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 160:sc= -0.113 (180deg=-0.657) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -30.709 1.492 4.277 1.00 20.00 N ATOM 365 CA GLU A 16 -31.348 0.655 3.261 1.00 20.00 C ATOM 366 C GLU A 16 -30.331 -0.037 2.356 1.00 20.00 C ATOM 367 O GLU A 16 -30.598 -1.107 1.821 1.00 20.00 O ATOM 368 CB GLU A 16 -32.303 1.500 2.423 1.00 20.00 C ATOM 369 CG GLU A 16 -33.566 1.913 3.164 1.00 20.00 C ATOM 370 CD GLU A 16 -34.464 0.735 3.478 1.00 20.00 C ATOM 371 OE1 GLU A 16 -35.212 0.299 2.576 1.00 20.00 O ATOM 372 OE2 GLU A 16 -34.429 0.237 4.620 1.00 20.00 O ATOM 0 HA GLU A 16 -31.902 -0.127 3.781 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.781 2.396 2.086 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.583 0.939 1.531 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -33.292 2.414 4.092 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -34.117 2.636 2.562 1.00 20.00 H new ATOM 379 N GLN A 17 -29.164 0.568 2.198 1.00 20.00 N ATOM 380 CA GLN A 17 -28.120 0.002 1.351 1.00 20.00 C ATOM 381 C GLN A 17 -27.382 -1.154 2.027 1.00 20.00 C ATOM 382 O GLN A 17 -26.705 -1.929 1.357 1.00 20.00 O ATOM 383 CB GLN A 17 -27.125 1.083 0.933 1.00 20.00 C ATOM 384 CG GLN A 17 -27.697 2.081 -0.058 1.00 20.00 C ATOM 385 CD GLN A 17 -28.148 1.424 -1.350 1.00 20.00 C ATOM 386 OE1 GLN A 17 -27.368 1.278 -2.289 1.00 20.00 O ATOM 387 NE2 GLN A 17 -29.410 1.028 -1.411 1.00 20.00 N ATOM 0 H GLN A 17 -28.914 1.451 2.644 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.614 -0.399 0.466 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.787 1.617 1.821 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.248 0.608 0.493 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.542 2.597 0.398 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.945 2.837 -0.282 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -30.027 1.166 -0.611 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -29.765 0.585 -2.258 1.00 20.00 H new ATOM 396 N GLU A 18 -27.524 -1.289 3.343 1.00 20.00 N ATOM 397 CA GLU A 18 -26.821 -2.348 4.066 1.00 20.00 C ATOM 398 C GLU A 18 -27.613 -3.652 4.012 1.00 20.00 C ATOM 399 O GLU A 18 -27.187 -4.669 4.559 1.00 20.00 O ATOM 400 CB GLU A 18 -26.545 -1.950 5.529 1.00 20.00 C ATOM 401 CG GLU A 18 -27.759 -2.033 6.445 1.00 20.00 C ATOM 402 CD GLU A 18 -27.451 -1.641 7.876 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.370 -0.427 8.166 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.296 -2.547 8.721 1.00 20.00 O ATOM 0 H GLU A 18 -28.110 -0.689 3.924 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.860 -2.498 3.574 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -25.761 -2.595 5.926 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.160 -0.931 5.549 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.544 -1.384 6.058 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -28.150 -3.050 6.429 1.00 20.00 H new ATOM 411 N ASN A 19 -28.759 -3.620 3.334 1.00 20.00 N ATOM 412 CA ASN A 19 -29.619 -4.798 3.228 1.00 20.00 C ATOM 413 C ASN A 19 -28.876 -5.932 2.530 1.00 20.00 C ATOM 414 O ASN A 19 -29.077 -7.106 2.844 1.00 20.00 O ATOM 415 CB ASN A 19 -30.927 -4.479 2.473 1.00 20.00 C ATOM 416 CG ASN A 19 -30.779 -4.505 0.954 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.931 -5.554 0.325 1.00 20.00 O ATOM 418 ND2 ASN A 19 -30.512 -3.355 0.351 1.00 20.00 N ATOM 0 H ASN A 19 -29.113 -2.794 2.851 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.883 -5.109 4.239 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.691 -5.198 2.767 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.282 -3.495 2.778 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -30.426 -3.320 -0.665 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.392 -2.506 0.903 1.00 20.00 H new ATOM 425 N SER A 20 -27.992 -5.565 1.607 1.00 20.00 N ATOM 426 CA SER A 20 -27.250 -6.535 0.819 1.00 20.00 C ATOM 427 C SER A 20 -26.181 -7.226 1.656 1.00 20.00 C ATOM 428 O SER A 20 -25.814 -8.369 1.390 1.00 20.00 O ATOM 429 CB SER A 20 -26.611 -5.837 -0.381 1.00 20.00 C ATOM 430 OG SER A 20 -25.955 -4.644 0.024 1.00 20.00 O ATOM 0 H SER A 20 -27.773 -4.593 1.388 1.00 20.00 H new ATOM 0 HA SER A 20 -27.944 -7.299 0.470 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.896 -6.507 -0.860 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.375 -5.604 -1.122 1.00 20.00 H new ATOM 0 HG SER A 20 -24.990 -4.735 -0.123 1.00 20.00 H new ATOM 436 N TYR A 21 -25.699 -6.534 2.681 1.00 20.00 N ATOM 437 CA TYR A 21 -24.650 -7.069 3.538 1.00 20.00 C ATOM 438 C TYR A 21 -25.129 -8.330 4.249 1.00 20.00 C ATOM 439 O TYR A 21 -24.409 -9.327 4.324 1.00 20.00 O ATOM 440 CB TYR A 21 -24.202 -6.016 4.554 1.00 20.00 C ATOM 441 CG TYR A 21 -23.115 -6.496 5.486 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.827 -6.728 5.019 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.376 -6.727 6.829 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.832 -7.171 5.866 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.386 -7.170 7.681 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.118 -7.391 7.196 1.00 20.00 C ATOM 447 OH TYR A 21 -20.131 -7.836 8.043 1.00 20.00 O ATOM 0 H TYR A 21 -26.019 -5.600 2.939 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.796 -7.332 2.914 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.847 -5.135 4.019 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.063 -5.704 5.145 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.601 -6.559 3.977 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.371 -6.557 7.214 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.835 -7.344 5.489 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.605 -7.343 8.724 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.497 -7.939 8.946 1.00 20.00 H new ATOM 457 N ASN A 22 -26.357 -8.289 4.749 1.00 20.00 N ATOM 458 CA ASN A 22 -26.937 -9.441 5.429 1.00 20.00 C ATOM 459 C ASN A 22 -27.209 -10.548 4.411 1.00 20.00 C ATOM 460 O ASN A 22 -27.100 -11.736 4.717 1.00 20.00 O ATOM 461 CB ASN A 22 -28.230 -9.043 6.155 1.00 20.00 C ATOM 462 CG ASN A 22 -28.631 -10.028 7.245 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.312 -11.215 7.186 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.345 -9.541 8.249 1.00 20.00 N ATOM 0 H ASN A 22 -26.969 -7.475 4.697 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.233 -9.809 6.175 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.102 -8.054 6.596 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.039 -8.966 5.428 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.648 -10.156 9.005 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.592 -8.551 8.266 1.00 20.00 H new ATOM 471 N GLU A 23 -27.524 -10.142 3.184 1.00 20.00 N ATOM 472 CA GLU A 23 -27.757 -11.084 2.094 1.00 20.00 C ATOM 473 C GLU A 23 -26.486 -11.871 1.787 1.00 20.00 C ATOM 474 O GLU A 23 -26.527 -13.087 1.580 1.00 20.00 O ATOM 475 CB GLU A 23 -28.218 -10.347 0.832 1.00 20.00 C ATOM 476 CG GLU A 23 -29.544 -9.620 0.978 1.00 20.00 C ATOM 477 CD GLU A 23 -30.699 -10.558 1.242 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.164 -11.214 0.288 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.159 -10.633 2.399 1.00 20.00 O ATOM 0 H GLU A 23 -27.624 -9.162 2.919 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.539 -11.775 2.408 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -27.452 -9.626 0.547 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.299 -11.065 0.016 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.471 -8.901 1.794 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.744 -9.052 0.070 1.00 20.00 H new ATOM 486 N TRP A 24 -25.356 -11.171 1.763 1.00 20.00 N ATOM 487 CA TRP A 24 -24.072 -11.806 1.501 1.00 20.00 C ATOM 488 C TRP A 24 -23.703 -12.757 2.629 1.00 20.00 C ATOM 489 O TRP A 24 -23.112 -13.810 2.392 1.00 20.00 O ATOM 490 CB TRP A 24 -22.967 -10.765 1.313 1.00 20.00 C ATOM 491 CG TRP A 24 -23.154 -9.906 0.101 1.00 20.00 C ATOM 492 CD1 TRP A 24 -23.589 -10.306 -1.128 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.891 -8.504 -0.001 1.00 20.00 C ATOM 494 NE1 TRP A 24 -23.623 -9.235 -1.985 1.00 20.00 N ATOM 495 CE2 TRP A 24 -23.200 -8.117 -1.317 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.429 -7.537 0.894 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -23.061 -6.803 -1.760 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.292 -6.234 0.455 1.00 20.00 C ATOM 499 CH2 TRP A 24 -22.608 -5.878 -0.861 1.00 20.00 C ATOM 0 H TRP A 24 -25.305 -10.165 1.922 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.168 -12.375 0.576 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.925 -10.128 2.197 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.007 -11.275 1.242 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -23.866 -11.317 -1.388 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -23.916 -9.267 -2.962 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.183 -7.803 1.911 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -23.302 -6.526 -2.776 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.935 -5.478 1.139 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.492 -4.851 -1.173 1.00 20.00 H new ATOM 510 N LEU A 25 -24.061 -12.388 3.854 1.00 20.00 N ATOM 511 CA LEU A 25 -23.799 -13.234 5.011 1.00 20.00 C ATOM 512 C LEU A 25 -24.662 -14.490 4.956 1.00 20.00 C ATOM 513 O LEU A 25 -24.206 -15.588 5.285 1.00 20.00 O ATOM 514 CB LEU A 25 -24.058 -12.469 6.311 1.00 20.00 C ATOM 515 CG LEU A 25 -23.124 -11.281 6.569 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.510 -10.571 7.855 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.672 -11.735 6.636 1.00 20.00 C ATOM 0 H LEU A 25 -24.533 -11.510 4.071 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.750 -13.528 4.989 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.086 -12.106 6.301 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.973 -13.165 7.146 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.228 -10.584 5.737 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.837 -9.730 8.023 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.534 -10.206 7.776 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.437 -11.267 8.691 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.030 -10.874 6.820 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.553 -12.456 7.445 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.393 -12.201 5.691 1.00 20.00 H new ATOM 529 N ARG A 26 -25.902 -14.322 4.512 1.00 20.00 N ATOM 530 CA ARG A 26 -26.841 -15.431 4.387 1.00 20.00 C ATOM 531 C ARG A 26 -26.336 -16.458 3.374 1.00 20.00 C ATOM 532 O ARG A 26 -26.654 -17.644 3.460 1.00 20.00 O ATOM 533 CB ARG A 26 -28.217 -14.909 3.959 1.00 20.00 C ATOM 534 CG ARG A 26 -29.337 -15.944 4.024 1.00 20.00 C ATOM 535 CD ARG A 26 -29.815 -16.194 5.452 1.00 20.00 C ATOM 536 NE ARG A 26 -28.807 -16.858 6.282 1.00 20.00 N ATOM 537 CZ ARG A 26 -28.311 -16.348 7.411 1.00 20.00 C ATOM 538 NH1 ARG A 26 -28.687 -15.143 7.831 1.00 20.00 N ATOM 539 NH2 ARG A 26 -27.433 -17.045 8.120 1.00 20.00 N ATOM 0 H ARG A 26 -26.284 -13.419 4.230 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.928 -15.918 5.358 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.484 -14.064 4.593 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.147 -14.532 2.939 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -30.176 -15.606 3.417 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.988 -16.881 3.591 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.087 -15.243 5.910 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.717 -16.805 5.426 1.00 20.00 H new ATOM 0 HE ARG A 26 -28.462 -17.768 5.978 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -29.360 -14.601 7.289 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -28.303 -14.761 8.695 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -27.139 -17.968 7.802 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -27.052 -16.658 8.983 1.00 20.00 H new ATOM 553 N ALA A 27 -25.548 -15.991 2.415 1.00 20.00 N ATOM 554 CA ALA A 27 -24.981 -16.863 1.395 1.00 20.00 C ATOM 555 C ALA A 27 -23.626 -17.413 1.829 1.00 20.00 C ATOM 556 O ALA A 27 -23.250 -18.528 1.462 1.00 20.00 O ATOM 557 CB ALA A 27 -24.845 -16.110 0.083 1.00 20.00 C ATOM 0 H ALA A 27 -25.286 -15.010 2.322 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.657 -17.706 1.256 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.420 -16.770 -0.673 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.827 -15.768 -0.244 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.190 -15.250 0.223 1.00 20.00 H new ATOM 563 N LYS A 28 -22.909 -16.627 2.625 1.00 20.00 N ATOM 564 CA LYS A 28 -21.558 -16.981 3.056 1.00 20.00 C ATOM 565 C LYS A 28 -21.570 -18.195 3.978 1.00 20.00 C ATOM 566 O LYS A 28 -20.588 -18.935 4.053 1.00 20.00 O ATOM 567 CB LYS A 28 -20.895 -15.799 3.769 1.00 20.00 C ATOM 568 CG LYS A 28 -19.468 -16.079 4.217 1.00 20.00 C ATOM 569 CD LYS A 28 -18.860 -14.883 4.928 1.00 20.00 C ATOM 570 CE LYS A 28 -17.400 -15.128 5.285 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.565 -15.372 4.079 1.00 20.00 N ATOM 0 H LYS A 28 -23.243 -15.734 2.988 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.984 -17.231 2.164 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.895 -14.937 3.102 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.493 -15.528 4.639 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.458 -16.942 4.882 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.858 -16.337 3.351 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.937 -14.002 4.291 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.427 -14.671 5.835 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.010 -14.267 5.828 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.329 -15.985 5.954 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.561 -15.248 4.321 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.722 -16.342 3.738 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -16.827 -14.696 3.333 1.00 20.00 H new ATOM 585 N VAL A 29 -22.689 -18.403 4.665 1.00 20.00 N ATOM 586 CA VAL A 29 -22.827 -19.533 5.580 1.00 20.00 C ATOM 587 C VAL A 29 -22.699 -20.859 4.825 1.00 20.00 C ATOM 588 O VAL A 29 -22.474 -21.913 5.418 1.00 20.00 O ATOM 589 CB VAL A 29 -24.175 -19.485 6.343 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.342 -19.777 5.413 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.170 -20.444 7.523 1.00 20.00 C ATOM 0 H VAL A 29 -23.513 -17.805 4.606 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.021 -19.462 6.311 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.300 -18.474 6.731 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.275 -19.737 5.976 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.367 -19.034 4.616 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.222 -20.770 4.980 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.128 -20.390 8.040 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -24.008 -21.461 7.165 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.370 -20.170 8.211 1.00 20.00 H new ATOM 772 N HIS A 42 -22.753 -32.387 22.148 1.00 20.00 N ATOM 773 CA HIS A 42 -22.102 -33.184 23.183 1.00 20.00 C ATOM 774 C HIS A 42 -23.152 -33.951 23.979 1.00 20.00 C ATOM 775 O HIS A 42 -22.823 -34.739 24.867 1.00 20.00 O ATOM 776 CB HIS A 42 -21.236 -32.314 24.118 1.00 20.00 C ATOM 777 CG HIS A 42 -22.004 -31.475 25.106 1.00 20.00 C ATOM 778 ND1 HIS A 42 -22.153 -31.829 26.431 1.00 20.00 N ATOM 779 CD2 HIS A 42 -22.635 -30.284 24.968 1.00 20.00 C ATOM 780 CE1 HIS A 42 -22.845 -30.897 27.059 1.00 20.00 C ATOM 781 NE2 HIS A 42 -23.150 -29.946 26.195 1.00 20.00 N ATOM 0 HA HIS A 42 -21.433 -33.892 22.694 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -20.557 -32.965 24.669 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -20.620 -31.654 23.507 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -22.718 -29.706 24.059 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -23.116 -30.910 28.104 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -23.680 -29.100 26.405 1.00 20.00 H new ATOM 790 N ASP A 43 -24.420 -33.719 23.639 1.00 20.00 N ATOM 791 CA ASP A 43 -25.530 -34.425 24.276 1.00 20.00 C ATOM 792 C ASP A 43 -25.426 -35.922 24.042 1.00 20.00 C ATOM 793 O ASP A 43 -25.958 -36.713 24.819 1.00 20.00 O ATOM 794 CB ASP A 43 -26.884 -33.923 23.765 1.00 20.00 C ATOM 795 CG ASP A 43 -27.229 -32.534 24.261 1.00 20.00 C ATOM 796 OD1 ASP A 43 -27.546 -32.386 25.461 1.00 20.00 O ATOM 797 OD2 ASP A 43 -27.198 -31.585 23.453 1.00 20.00 O ATOM 0 H ASP A 43 -24.703 -33.047 22.926 1.00 20.00 H new ATOM 0 HA ASP A 43 -25.465 -34.222 25.345 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -26.876 -33.921 22.675 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -27.664 -34.618 24.077 1.00 20.00 H new ATOM 802 N GLU A 44 -24.734 -36.302 22.973 1.00 20.00 N ATOM 803 CA GLU A 44 -24.522 -37.706 22.646 1.00 20.00 C ATOM 804 C GLU A 44 -23.828 -38.432 23.796 1.00 20.00 C ATOM 805 O GLU A 44 -24.220 -39.539 24.175 1.00 20.00 O ATOM 806 CB GLU A 44 -23.690 -37.827 21.365 1.00 20.00 C ATOM 807 CG GLU A 44 -23.345 -39.258 20.995 1.00 20.00 C ATOM 808 CD GLU A 44 -22.540 -39.356 19.719 1.00 20.00 C ATOM 809 OE1 GLU A 44 -21.309 -39.167 19.770 1.00 20.00 O ATOM 810 OE2 GLU A 44 -23.135 -39.631 18.656 1.00 20.00 O ATOM 0 H GLU A 44 -24.308 -35.651 22.314 1.00 20.00 H new ATOM 0 HA GLU A 44 -25.494 -38.173 22.485 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -24.239 -37.370 20.541 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -22.767 -37.260 21.487 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -22.782 -39.713 21.810 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -24.265 -39.831 20.883 1.00 20.00 H new ATOM 817 N VAL A 45 -22.810 -37.794 24.360 1.00 20.00 N ATOM 818 CA VAL A 45 -22.053 -38.376 25.457 1.00 20.00 C ATOM 819 C VAL A 45 -22.909 -38.457 26.712 1.00 20.00 C ATOM 820 O VAL A 45 -22.942 -39.482 27.393 1.00 20.00 O ATOM 821 CB VAL A 45 -20.785 -37.558 25.767 1.00 20.00 C ATOM 822 CG1 VAL A 45 -19.991 -38.200 26.895 1.00 20.00 C ATOM 823 CG2 VAL A 45 -19.930 -37.409 24.521 1.00 20.00 C ATOM 0 H VAL A 45 -22.490 -36.869 24.073 1.00 20.00 H new ATOM 0 HA VAL A 45 -21.756 -39.378 25.147 1.00 20.00 H new ATOM 0 HB VAL A 45 -21.090 -36.564 26.093 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -19.100 -37.606 27.097 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -20.607 -38.247 27.793 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -19.696 -39.208 26.604 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -19.039 -36.828 24.759 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -19.636 -38.395 24.162 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -20.501 -36.896 23.747 1.00 20.00 H new ATOM 833 N GLU A 46 -23.618 -37.375 26.995 1.00 20.00 N ATOM 834 CA GLU A 46 -24.457 -37.298 28.181 1.00 20.00 C ATOM 835 C GLU A 46 -25.574 -38.334 28.110 1.00 20.00 C ATOM 836 O GLU A 46 -25.863 -39.009 29.092 1.00 20.00 O ATOM 837 CB GLU A 46 -25.028 -35.884 28.335 1.00 20.00 C ATOM 838 CG GLU A 46 -25.796 -35.659 29.626 1.00 20.00 C ATOM 839 CD GLU A 46 -26.068 -34.190 29.878 1.00 20.00 C ATOM 840 OE1 GLU A 46 -26.985 -33.627 29.243 1.00 20.00 O ATOM 841 OE2 GLU A 46 -25.358 -33.589 30.711 1.00 20.00 O ATOM 0 H GLU A 46 -23.629 -36.535 26.417 1.00 20.00 H new ATOM 0 HA GLU A 46 -23.848 -37.517 29.058 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -24.209 -35.166 28.283 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -25.688 -35.677 27.492 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -26.741 -36.200 29.584 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -25.229 -36.071 30.461 1.00 20.00 H new ATOM 848 N ARG A 47 -26.165 -38.480 26.931 1.00 20.00 N ATOM 849 CA ARG A 47 -27.226 -39.461 26.713 1.00 20.00 C ATOM 850 C ARG A 47 -26.687 -40.877 26.889 1.00 20.00 C ATOM 851 O ARG A 47 -27.373 -41.762 27.401 1.00 20.00 O ATOM 852 CB ARG A 47 -27.809 -39.295 25.305 1.00 20.00 C ATOM 853 CG ARG A 47 -28.941 -40.258 24.984 1.00 20.00 C ATOM 854 CD ARG A 47 -29.431 -40.077 23.557 1.00 20.00 C ATOM 855 NE ARG A 47 -28.376 -40.345 22.579 1.00 20.00 N ATOM 856 CZ ARG A 47 -28.437 -39.993 21.295 1.00 20.00 C ATOM 857 NH1 ARG A 47 -29.491 -39.331 20.831 1.00 20.00 N ATOM 858 NH2 ARG A 47 -27.440 -40.299 20.475 1.00 20.00 N ATOM 0 H ARG A 47 -25.928 -37.930 26.106 1.00 20.00 H new ATOM 0 HA ARG A 47 -28.013 -39.294 27.449 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -28.172 -38.274 25.192 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -27.012 -39.432 24.575 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -28.600 -41.284 25.127 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -29.766 -40.097 25.678 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -30.273 -40.745 23.375 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -29.798 -39.059 23.426 1.00 20.00 H new ATOM 0 HE ARG A 47 -27.540 -40.833 22.901 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -30.258 -39.090 21.458 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -29.533 -39.064 19.848 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -26.627 -40.804 20.827 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -27.487 -40.030 19.492 1.00 20.00 H new ATOM 872 N ARG A 48 -25.446 -41.070 26.471 1.00 20.00 N ATOM 873 CA ARG A 48 -24.786 -42.363 26.565 1.00 20.00 C ATOM 874 C ARG A 48 -24.429 -42.684 28.015 1.00 20.00 C ATOM 875 O ARG A 48 -24.558 -43.822 28.462 1.00 20.00 O ATOM 876 CB ARG A 48 -23.526 -42.354 25.697 1.00 20.00 C ATOM 877 CG ARG A 48 -22.719 -43.638 25.755 1.00 20.00 C ATOM 878 CD ARG A 48 -21.457 -43.530 24.916 1.00 20.00 C ATOM 879 NE ARG A 48 -20.655 -44.749 24.973 1.00 20.00 N ATOM 880 CZ ARG A 48 -19.542 -44.940 24.270 1.00 20.00 C ATOM 881 NH1 ARG A 48 -19.090 -43.988 23.460 1.00 20.00 N ATOM 882 NH2 ARG A 48 -18.873 -46.079 24.385 1.00 20.00 N ATOM 0 H ARG A 48 -24.869 -40.337 26.058 1.00 20.00 H new ATOM 0 HA ARG A 48 -25.467 -43.135 26.207 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -23.813 -42.165 24.663 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -22.891 -41.525 26.008 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -22.454 -43.858 26.789 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -23.327 -44.469 25.398 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -21.727 -43.322 23.881 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -20.861 -42.687 25.265 1.00 20.00 H new ATOM 0 HE ARG A 48 -20.967 -45.499 25.589 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -19.597 -43.107 23.376 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -18.236 -44.138 22.923 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -19.212 -46.808 25.012 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -18.020 -46.226 23.846 1.00 20.00 H new ATOM 896 N MET A 49 -23.990 -41.669 28.744 1.00 20.00 N ATOM 897 CA MET A 49 -23.562 -41.843 30.125 1.00 20.00 C ATOM 898 C MET A 49 -24.765 -41.978 31.053 1.00 20.00 C ATOM 899 O MET A 49 -24.776 -42.813 31.962 1.00 20.00 O ATOM 900 CB MET A 49 -22.699 -40.655 30.554 1.00 20.00 C ATOM 901 CG MET A 49 -21.928 -40.892 31.841 1.00 20.00 C ATOM 902 SD MET A 49 -20.737 -42.242 31.701 1.00 20.00 S ATOM 903 CE MET A 49 -19.674 -41.628 30.393 1.00 20.00 C ATOM 0 H MET A 49 -23.920 -40.711 28.400 1.00 20.00 H new ATOM 0 HA MET A 49 -22.974 -42.758 30.192 1.00 20.00 H new ATOM 0 HB2 MET A 49 -21.994 -40.423 29.756 1.00 20.00 H new ATOM 0 HB3 MET A 49 -23.337 -39.780 30.679 1.00 20.00 H new ATOM 0 HG2 MET A 49 -21.404 -39.978 32.119 1.00 20.00 H new ATOM 0 HG3 MET A 49 -22.630 -41.114 32.645 1.00 20.00 H new ATOM 0 HE1 MET A 49 -18.723 -42.160 30.417 1.00 20.00 H new ATOM 0 HE2 MET A 49 -20.155 -41.788 29.428 1.00 20.00 H new ATOM 0 HE3 MET A 49 -19.497 -40.562 30.538 1.00 20.00 H new ATOM 913 N ALA A 50 -25.789 -41.167 30.800 1.00 20.00 N ATOM 914 CA ALA A 50 -26.986 -41.139 31.632 1.00 20.00 C ATOM 915 C ALA A 50 -27.815 -42.405 31.469 1.00 20.00 C ATOM 916 O ALA A 50 -28.709 -42.672 32.266 1.00 20.00 O ATOM 917 CB ALA A 50 -27.833 -39.926 31.292 1.00 20.00 C ATOM 0 H ALA A 50 -25.812 -40.514 30.016 1.00 20.00 H new ATOM 0 HA ALA A 50 -26.662 -41.079 32.671 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -28.724 -39.917 31.920 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -27.256 -39.018 31.468 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -28.129 -39.971 30.244 1.00 20.00 H new ATOM 923 N GLU A 51 -27.502 -43.179 30.440 1.00 20.00 N ATOM 924 CA GLU A 51 -28.229 -44.407 30.133 1.00 20.00 C ATOM 925 C GLU A 51 -28.275 -45.348 31.339 1.00 20.00 C ATOM 926 O GLU A 51 -29.272 -46.027 31.572 1.00 20.00 O ATOM 927 CB GLU A 51 -27.571 -45.103 28.938 1.00 20.00 C ATOM 928 CG GLU A 51 -28.246 -46.400 28.523 1.00 20.00 C ATOM 929 CD GLU A 51 -29.698 -46.211 28.136 1.00 20.00 C ATOM 930 OE1 GLU A 51 -29.965 -45.508 27.134 1.00 20.00 O ATOM 931 OE2 GLU A 51 -30.576 -46.764 28.830 1.00 20.00 O ATOM 0 H GLU A 51 -26.739 -42.976 29.794 1.00 20.00 H new ATOM 0 HA GLU A 51 -29.257 -44.146 29.883 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -27.570 -44.419 28.089 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -26.529 -45.311 29.181 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -27.704 -46.833 27.682 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -28.184 -47.115 29.344 1.00 20.00 H new ATOM 938 N ARG A 52 -27.204 -45.364 32.116 1.00 20.00 N ATOM 939 CA ARG A 52 -27.117 -46.257 33.263 1.00 20.00 C ATOM 940 C ARG A 52 -27.778 -45.643 34.494 1.00 20.00 C ATOM 941 O ARG A 52 -28.256 -46.355 35.374 1.00 20.00 O ATOM 942 CB ARG A 52 -25.657 -46.593 33.569 1.00 20.00 C ATOM 943 CG ARG A 52 -24.930 -47.285 32.424 1.00 20.00 C ATOM 944 CD ARG A 52 -25.626 -48.573 32.014 1.00 20.00 C ATOM 945 NE ARG A 52 -24.951 -49.228 30.896 1.00 20.00 N ATOM 946 CZ ARG A 52 -25.532 -50.123 30.095 1.00 20.00 C ATOM 947 NH1 ARG A 52 -26.795 -50.479 30.291 1.00 20.00 N ATOM 948 NH2 ARG A 52 -24.850 -50.664 29.098 1.00 20.00 N ATOM 0 H ARG A 52 -26.385 -44.772 31.975 1.00 20.00 H new ATOM 0 HA ARG A 52 -27.649 -47.174 33.011 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -25.128 -45.674 33.820 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -25.619 -47.233 34.450 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -24.875 -46.612 31.568 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -23.905 -47.504 32.723 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -25.661 -49.253 32.865 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -26.658 -48.355 31.737 1.00 20.00 H new ATOM 0 HE ARG A 52 -23.976 -48.986 30.717 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -27.328 -50.068 31.058 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -27.233 -51.164 29.675 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -23.878 -50.397 28.941 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -25.296 -51.348 28.487 1.00 20.00 H new ATOM 962 N PHE A 53 -27.812 -44.319 34.548 1.00 20.00 N ATOM 963 CA PHE A 53 -28.356 -43.614 35.704 1.00 20.00 C ATOM 964 C PHE A 53 -29.865 -43.455 35.593 1.00 20.00 C ATOM 965 O PHE A 53 -30.590 -43.660 36.566 1.00 20.00 O ATOM 966 CB PHE A 53 -27.705 -42.238 35.852 1.00 20.00 C ATOM 967 CG PHE A 53 -26.240 -42.291 36.181 1.00 20.00 C ATOM 968 CD1 PHE A 53 -25.813 -42.551 37.474 1.00 20.00 C ATOM 969 CD2 PHE A 53 -25.288 -42.075 35.197 1.00 20.00 C ATOM 970 CE1 PHE A 53 -24.467 -42.598 37.776 1.00 20.00 C ATOM 971 CE2 PHE A 53 -23.942 -42.121 35.495 1.00 20.00 C ATOM 972 CZ PHE A 53 -23.531 -42.382 36.786 1.00 20.00 C ATOM 0 H PHE A 53 -27.470 -43.710 33.805 1.00 20.00 H new ATOM 0 HA PHE A 53 -28.134 -44.213 36.587 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -27.839 -41.681 34.924 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -28.223 -41.684 36.634 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -26.541 -42.719 38.254 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -25.604 -41.868 34.185 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -24.147 -42.804 38.787 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -23.210 -41.953 34.718 1.00 20.00 H new ATOM 0 HZ PHE A 53 -22.478 -42.417 37.021 1.00 20.00 H new ATOM 982 N ALA A 54 -30.327 -43.105 34.400 1.00 20.00 N ATOM 983 CA ALA A 54 -31.736 -42.815 34.169 1.00 20.00 C ATOM 984 C ALA A 54 -32.618 -44.007 34.511 1.00 20.00 C ATOM 985 O ALA A 54 -33.602 -43.870 35.237 1.00 20.00 O ATOM 986 CB ALA A 54 -31.953 -42.392 32.726 1.00 20.00 C ATOM 0 H ALA A 54 -29.740 -43.014 33.570 1.00 20.00 H new ATOM 0 HA ALA A 54 -32.021 -41.995 34.829 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -33.009 -42.178 32.565 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -31.365 -41.498 32.517 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -31.640 -43.196 32.060 1.00 20.00 H new ATOM 992 N LYS A 55 -32.252 -45.175 34.005 1.00 20.00 N ATOM 993 CA LYS A 55 -33.038 -46.378 34.231 1.00 20.00 C ATOM 994 C LYS A 55 -32.971 -46.817 35.691 1.00 20.00 C ATOM 995 O LYS A 55 -33.947 -47.327 36.235 1.00 20.00 O ATOM 996 CB LYS A 55 -32.564 -47.503 33.310 1.00 20.00 C ATOM 997 CG LYS A 55 -31.115 -47.904 33.527 1.00 20.00 C ATOM 998 CD LYS A 55 -30.646 -48.898 32.482 1.00 20.00 C ATOM 999 CE LYS A 55 -31.534 -50.130 32.430 1.00 20.00 C ATOM 1000 NZ LYS A 55 -31.047 -51.124 31.441 1.00 20.00 N ATOM 0 H LYS A 55 -31.417 -45.315 33.436 1.00 20.00 H new ATOM 0 HA LYS A 55 -34.078 -46.150 33.999 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -33.199 -48.376 33.461 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -32.693 -47.190 32.274 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -30.483 -47.017 33.495 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -31.003 -48.339 34.520 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -30.635 -48.417 31.504 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -29.621 -49.198 32.701 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -31.574 -50.590 33.417 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -32.551 -49.833 32.175 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -31.681 -51.949 31.437 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -31.033 -50.694 30.494 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -30.086 -51.427 31.698 1.00 20.00 H new ATOM 1014 N MET A 56 -31.826 -46.593 36.326 1.00 20.00 N ATOM 1015 CA MET A 56 -31.643 -46.972 37.722 1.00 20.00 C ATOM 1016 C MET A 56 -32.478 -46.074 38.630 1.00 20.00 C ATOM 1017 O MET A 56 -33.013 -46.519 39.645 1.00 20.00 O ATOM 1018 CB MET A 56 -30.163 -46.888 38.115 1.00 20.00 C ATOM 1019 CG MET A 56 -29.892 -47.264 39.565 1.00 20.00 C ATOM 1020 SD MET A 56 -28.159 -47.074 40.028 1.00 20.00 S ATOM 1021 CE MET A 56 -27.935 -45.307 39.825 1.00 20.00 C ATOM 0 H MET A 56 -31.012 -46.152 35.897 1.00 20.00 H new ATOM 0 HA MET A 56 -31.977 -48.003 37.843 1.00 20.00 H new ATOM 0 HB2 MET A 56 -29.586 -47.545 37.465 1.00 20.00 H new ATOM 0 HB3 MET A 56 -29.807 -45.873 37.940 1.00 20.00 H new ATOM 0 HG2 MET A 56 -30.507 -46.644 40.217 1.00 20.00 H new ATOM 0 HG3 MET A 56 -30.195 -48.298 39.730 1.00 20.00 H new ATOM 0 HE1 MET A 56 -27.063 -44.983 40.393 1.00 20.00 H new ATOM 0 HE2 MET A 56 -27.787 -45.078 38.770 1.00 20.00 H new ATOM 0 HE3 MET A 56 -28.819 -44.784 40.189 1.00 20.00 H new ATOM 1031 N ARG A 57 -32.598 -44.810 38.246 1.00 20.00 N ATOM 1032 CA ARG A 57 -33.377 -43.850 39.013 1.00 20.00 C ATOM 1033 C ARG A 57 -34.849 -43.921 38.633 1.00 20.00 C ATOM 1034 O ARG A 57 -35.688 -43.249 39.232 1.00 20.00 O ATOM 1035 CB ARG A 57 -32.849 -42.431 38.799 1.00 20.00 C ATOM 1036 CG ARG A 57 -31.464 -42.203 39.378 1.00 20.00 C ATOM 1037 CD ARG A 57 -30.955 -40.805 39.069 1.00 20.00 C ATOM 1038 NE ARG A 57 -29.653 -40.544 39.680 1.00 20.00 N ATOM 1039 CZ ARG A 57 -28.742 -39.716 39.166 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -28.978 -39.094 38.015 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -27.594 -39.517 39.801 1.00 20.00 N ATOM 0 H ARG A 57 -32.165 -44.426 37.406 1.00 20.00 H new ATOM 0 HA ARG A 57 -33.277 -44.105 40.068 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -32.826 -42.218 37.730 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -33.543 -41.722 39.250 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -31.491 -42.351 40.458 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -30.773 -42.941 38.972 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -30.880 -40.678 37.989 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -31.676 -40.070 39.427 1.00 20.00 H new ATOM 0 HE ARG A 57 -29.428 -41.024 40.551 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -29.858 -39.249 37.522 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -28.280 -38.461 37.625 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -27.408 -39.997 40.682 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -26.897 -38.884 39.408 1.00 20.00 H new