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= -0.901 K(o=-0.9,f=-0.011) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= -0.0184 (180deg=-0.133) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= -0.0365 (180deg=-0.33) USER MOD Single : A 56 MET CE :methyl 160:sc= -0.104 (180deg=-0.638) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -30.353 0.624 2.612 1.00 20.00 N ATOM 365 CA GLU A 16 -30.697 -0.472 1.716 1.00 20.00 C ATOM 366 C GLU A 16 -29.457 -1.251 1.290 1.00 20.00 C ATOM 367 O GLU A 16 -29.508 -2.470 1.126 1.00 20.00 O ATOM 368 CB GLU A 16 -31.455 0.044 0.479 1.00 20.00 C ATOM 369 CG GLU A 16 -30.682 1.032 -0.390 1.00 20.00 C ATOM 370 CD GLU A 16 -30.529 2.398 0.247 1.00 20.00 C ATOM 371 OE1 GLU A 16 -29.554 2.603 0.996 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.388 3.271 0.012 1.00 20.00 O ATOM 0 HA GLU A 16 -31.351 -1.149 2.265 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.740 -0.810 -0.135 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.378 0.520 0.810 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -29.693 0.624 -0.600 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.192 1.140 -1.347 1.00 20.00 H new ATOM 379 N GLN A 17 -28.340 -0.550 1.134 1.00 20.00 N ATOM 380 CA GLN A 17 -27.105 -1.185 0.692 1.00 20.00 C ATOM 381 C GLN A 17 -26.468 -2.002 1.810 1.00 20.00 C ATOM 382 O GLN A 17 -25.891 -3.057 1.564 1.00 20.00 O ATOM 383 CB GLN A 17 -26.109 -0.150 0.169 1.00 20.00 C ATOM 384 CG GLN A 17 -26.537 0.511 -1.133 1.00 20.00 C ATOM 385 CD GLN A 17 -25.439 1.367 -1.731 1.00 20.00 C ATOM 386 OE1 GLN A 17 -24.616 0.881 -2.505 1.00 20.00 O ATOM 387 NE2 GLN A 17 -25.419 2.643 -1.386 1.00 20.00 N ATOM 0 H GLN A 17 -28.264 0.453 1.306 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.365 -1.861 -0.122 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.968 0.620 0.927 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.143 -0.632 0.020 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.827 -0.257 -1.850 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.418 1.127 -0.953 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.120 3.008 -0.741 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.703 3.263 -1.765 1.00 20.00 H new ATOM 396 N GLU A 18 -26.594 -1.528 3.040 1.00 20.00 N ATOM 397 CA GLU A 18 -26.001 -2.219 4.176 1.00 20.00 C ATOM 398 C GLU A 18 -26.882 -3.394 4.579 1.00 20.00 C ATOM 399 O GLU A 18 -26.402 -4.404 5.093 1.00 20.00 O ATOM 400 CB GLU A 18 -25.798 -1.250 5.345 1.00 20.00 C ATOM 401 CG GLU A 18 -25.101 -1.862 6.549 1.00 20.00 C ATOM 402 CD GLU A 18 -24.730 -0.822 7.584 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.618 -0.391 8.347 1.00 20.00 O ATOM 404 OE2 GLU A 18 -23.543 -0.424 7.628 1.00 20.00 O ATOM 0 H GLU A 18 -27.098 -0.673 3.277 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.022 -2.604 3.892 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -25.216 -0.396 4.998 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.770 -0.867 5.658 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.753 -2.608 7.004 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -24.201 -2.382 6.220 1.00 20.00 H new ATOM 411 N ASN A 19 -28.176 -3.268 4.311 1.00 20.00 N ATOM 412 CA ASN A 19 -29.114 -4.364 4.536 1.00 20.00 C ATOM 413 C ASN A 19 -28.886 -5.482 3.529 1.00 20.00 C ATOM 414 O ASN A 19 -29.318 -6.612 3.735 1.00 20.00 O ATOM 415 CB ASN A 19 -30.563 -3.877 4.461 1.00 20.00 C ATOM 416 CG ASN A 19 -31.095 -3.414 5.805 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.702 -4.192 6.544 1.00 20.00 O ATOM 418 ND2 ASN A 19 -30.858 -2.156 6.141 1.00 20.00 N ATOM 0 H ASN A 19 -28.601 -2.419 3.938 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.935 -4.752 5.539 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.630 -3.057 3.746 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.193 -4.682 4.083 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.181 -1.799 7.040 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.352 -1.544 5.501 1.00 20.00 H new ATOM 425 N SER A 20 -28.184 -5.169 2.447 1.00 20.00 N ATOM 426 CA SER A 20 -27.830 -6.177 1.457 1.00 20.00 C ATOM 427 C SER A 20 -26.799 -7.134 2.047 1.00 20.00 C ATOM 428 O SER A 20 -26.707 -8.297 1.651 1.00 20.00 O ATOM 429 CB SER A 20 -27.288 -5.520 0.180 1.00 20.00 C ATOM 430 OG SER A 20 -26.998 -6.485 -0.816 1.00 20.00 O ATOM 0 H SER A 20 -27.850 -4.229 2.234 1.00 20.00 H new ATOM 0 HA SER A 20 -28.725 -6.738 1.190 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.019 -4.808 -0.203 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.386 -4.955 0.415 1.00 20.00 H new ATOM 0 HG SER A 20 -26.656 -6.036 -1.617 1.00 20.00 H new ATOM 436 N TYR A 21 -26.044 -6.643 3.023 1.00 20.00 N ATOM 437 CA TYR A 21 -25.057 -7.460 3.713 1.00 20.00 C ATOM 438 C TYR A 21 -25.746 -8.463 4.632 1.00 20.00 C ATOM 439 O TYR A 21 -25.149 -9.457 5.044 1.00 20.00 O ATOM 440 CB TYR A 21 -24.084 -6.583 4.505 1.00 20.00 C ATOM 441 CG TYR A 21 -23.095 -5.843 3.629 1.00 20.00 C ATOM 442 CD1 TYR A 21 -23.467 -4.700 2.930 1.00 20.00 C ATOM 443 CD2 TYR A 21 -21.787 -6.292 3.498 1.00 20.00 C ATOM 444 CE1 TYR A 21 -22.567 -4.030 2.126 1.00 20.00 C ATOM 445 CE2 TYR A 21 -20.880 -5.625 2.697 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.276 -4.496 2.012 1.00 20.00 C ATOM 447 OH TYR A 21 -20.374 -3.833 1.209 1.00 20.00 O ATOM 0 H TYR A 21 -26.098 -5.680 3.354 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.485 -8.011 2.966 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.652 -5.860 5.091 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.537 -7.207 5.212 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -24.478 -4.330 3.018 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -21.474 -7.177 4.031 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -22.874 -3.145 1.589 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -19.866 -5.986 2.608 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.509 -4.292 1.241 1.00 20.00 H new ATOM 457 N ASN A 22 -27.010 -8.198 4.944 1.00 20.00 N ATOM 458 CA ASN A 22 -27.807 -9.119 5.744 1.00 20.00 C ATOM 459 C ASN A 22 -28.123 -10.359 4.916 1.00 20.00 C ATOM 460 O ASN A 22 -28.077 -11.484 5.414 1.00 20.00 O ATOM 461 CB ASN A 22 -29.106 -8.453 6.214 1.00 20.00 C ATOM 462 CG ASN A 22 -29.873 -9.297 7.215 1.00 20.00 C ATOM 463 OD1 ASN A 22 -31.104 -9.336 7.196 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.159 -9.944 8.125 1.00 20.00 N ATOM 0 H ASN A 22 -27.504 -7.354 4.655 1.00 20.00 H new ATOM 0 HA ASN A 22 -27.236 -9.403 6.628 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.872 -7.488 6.664 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.741 -8.256 5.350 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.628 -10.498 8.842 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -28.141 -9.888 8.109 1.00 20.00 H new ATOM 471 N GLU A 23 -28.419 -10.141 3.640 1.00 20.00 N ATOM 472 CA GLU A 23 -28.645 -11.233 2.705 1.00 20.00 C ATOM 473 C GLU A 23 -27.321 -11.900 2.350 1.00 20.00 C ATOM 474 O GLU A 23 -27.246 -13.119 2.195 1.00 20.00 O ATOM 475 CB GLU A 23 -29.344 -10.731 1.435 1.00 20.00 C ATOM 476 CG GLU A 23 -30.857 -10.588 1.563 1.00 20.00 C ATOM 477 CD GLU A 23 -31.293 -9.586 2.614 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.409 -9.967 3.793 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.548 -8.417 2.257 1.00 20.00 O ATOM 0 H GLU A 23 -28.508 -9.212 3.229 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.295 -11.965 3.184 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.922 -9.764 1.161 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.124 -11.418 0.618 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -31.267 -10.289 0.598 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -31.285 -11.561 1.803 1.00 20.00 H new ATOM 486 N TRP A 24 -26.274 -11.087 2.246 1.00 20.00 N ATOM 487 CA TRP A 24 -24.924 -11.586 1.997 1.00 20.00 C ATOM 488 C TRP A 24 -24.484 -12.531 3.111 1.00 20.00 C ATOM 489 O TRP A 24 -23.695 -13.444 2.885 1.00 20.00 O ATOM 490 CB TRP A 24 -23.939 -10.417 1.870 1.00 20.00 C ATOM 491 CG TRP A 24 -22.512 -10.844 1.692 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.479 -10.618 2.555 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.962 -11.582 0.592 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.321 -11.162 2.058 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.591 -11.760 0.856 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.495 -12.107 -0.589 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.748 -12.441 -0.018 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.657 -12.783 -1.454 1.00 20.00 C ATOM 499 CH2 TRP A 24 -20.297 -12.944 -1.164 1.00 20.00 C ATOM 0 H TRP A 24 -26.335 -10.072 2.331 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.931 -12.141 1.059 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.232 -9.798 1.022 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -24.013 -9.793 2.761 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.561 -10.088 3.493 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.408 -11.127 2.511 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.543 -11.986 -0.821 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.698 -12.567 0.202 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.057 -13.194 -2.369 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -19.668 -13.477 -1.861 1.00 20.00 H new ATOM 510 N LEU A 25 -25.011 -12.316 4.309 1.00 20.00 N ATOM 511 CA LEU A 25 -24.723 -13.183 5.447 1.00 20.00 C ATOM 512 C LEU A 25 -25.145 -14.618 5.125 1.00 20.00 C ATOM 513 O LEU A 25 -24.446 -15.576 5.460 1.00 20.00 O ATOM 514 CB LEU A 25 -25.460 -12.651 6.691 1.00 20.00 C ATOM 515 CG LEU A 25 -25.053 -13.237 8.058 1.00 20.00 C ATOM 516 CD1 LEU A 25 -25.582 -14.653 8.249 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.541 -13.209 8.229 1.00 20.00 C ATOM 0 H LEU A 25 -25.644 -11.544 4.520 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.653 -13.185 5.653 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.318 -11.571 6.731 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -26.527 -12.827 6.552 1.00 20.00 H new ATOM 0 HG LEU A 25 -25.505 -12.609 8.825 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -25.273 -15.028 9.224 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -26.670 -14.646 8.191 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -25.182 -15.299 7.468 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.277 -13.627 9.200 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.075 -13.800 7.441 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -23.187 -12.180 8.169 1.00 20.00 H new ATOM 529 N ARG A 26 -26.271 -14.751 4.435 1.00 20.00 N ATOM 530 CA ARG A 26 -26.810 -16.058 4.085 1.00 20.00 C ATOM 531 C ARG A 26 -26.055 -16.657 2.902 1.00 20.00 C ATOM 532 O ARG A 26 -26.072 -17.868 2.687 1.00 20.00 O ATOM 533 CB ARG A 26 -28.301 -15.940 3.752 1.00 20.00 C ATOM 534 CG ARG A 26 -29.137 -15.350 4.878 1.00 20.00 C ATOM 535 CD ARG A 26 -29.057 -16.191 6.143 1.00 20.00 C ATOM 536 NE ARG A 26 -29.814 -15.593 7.241 1.00 20.00 N ATOM 537 CZ ARG A 26 -29.781 -16.035 8.497 1.00 20.00 C ATOM 538 NH1 ARG A 26 -29.043 -17.088 8.816 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.488 -15.418 9.434 1.00 20.00 N ATOM 0 H ARG A 26 -26.831 -13.965 4.105 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.687 -16.721 4.942 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.417 -15.320 2.863 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.688 -16.929 3.504 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.795 -14.338 5.093 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -30.176 -15.274 4.558 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.440 -17.191 5.940 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -28.014 -16.303 6.439 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.404 -14.787 7.033 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.497 -17.564 8.098 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -29.021 -17.423 9.779 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.056 -14.606 9.192 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -30.464 -15.755 10.396 1.00 20.00 H new ATOM 553 N ALA A 27 -25.395 -15.802 2.136 1.00 20.00 N ATOM 554 CA ALA A 27 -24.627 -16.246 0.983 1.00 20.00 C ATOM 555 C ALA A 27 -23.196 -16.587 1.375 1.00 20.00 C ATOM 556 O ALA A 27 -22.604 -17.532 0.853 1.00 20.00 O ATOM 557 CB ALA A 27 -24.634 -15.176 -0.096 1.00 20.00 C ATOM 0 H ALA A 27 -25.376 -14.794 2.293 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.096 -17.149 0.592 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.056 -15.520 -0.954 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.660 -14.978 -0.406 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.191 -14.261 0.296 1.00 20.00 H new ATOM 563 N LYS A 28 -22.656 -15.821 2.312 1.00 20.00 N ATOM 564 CA LYS A 28 -21.278 -15.985 2.754 1.00 20.00 C ATOM 565 C LYS A 28 -21.058 -17.368 3.358 1.00 20.00 C ATOM 566 O LYS A 28 -20.013 -17.982 3.148 1.00 20.00 O ATOM 567 CB LYS A 28 -20.911 -14.895 3.770 1.00 20.00 C ATOM 568 CG LYS A 28 -19.484 -14.991 4.291 1.00 20.00 C ATOM 569 CD LYS A 28 -19.132 -13.816 5.194 1.00 20.00 C ATOM 570 CE LYS A 28 -19.986 -13.785 6.461 1.00 20.00 C ATOM 571 NZ LYS A 28 -19.772 -14.987 7.311 1.00 20.00 N ATOM 0 H LYS A 28 -23.158 -15.071 2.786 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.629 -15.888 1.884 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.053 -13.918 3.307 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.600 -14.952 4.613 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.360 -15.923 4.842 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.791 -15.024 3.450 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.079 -13.874 5.469 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.267 -12.884 4.644 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.749 -12.889 7.035 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -21.039 -13.719 6.186 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -20.236 -14.848 8.231 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -20.178 -15.821 6.841 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.752 -15.133 7.456 1.00 20.00 H new ATOM 585 N VAL A 29 -22.055 -17.863 4.086 1.00 20.00 N ATOM 586 CA VAL A 29 -21.962 -19.180 4.710 1.00 20.00 C ATOM 587 C VAL A 29 -21.873 -20.281 3.651 1.00 20.00 C ATOM 588 O VAL A 29 -21.345 -21.364 3.903 1.00 20.00 O ATOM 589 CB VAL A 29 -23.158 -19.447 5.658 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.470 -19.535 4.892 1.00 20.00 C ATOM 591 CG2 VAL A 29 -22.927 -20.707 6.479 1.00 20.00 C ATOM 0 H VAL A 29 -22.934 -17.374 4.258 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.049 -19.192 5.306 1.00 20.00 H new ATOM 0 HB VAL A 29 -23.231 -18.601 6.341 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.286 -19.723 5.589 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.649 -18.596 4.368 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.415 -20.349 4.169 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -23.780 -20.874 7.137 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.812 -21.561 5.811 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.024 -20.590 7.078 1.00 20.00 H new ATOM 772 N HIS A 42 -14.615 -19.614 22.420 1.00 20.00 N ATOM 773 CA HIS A 42 -13.721 -19.458 23.555 1.00 20.00 C ATOM 774 C HIS A 42 -14.518 -19.501 24.853 1.00 20.00 C ATOM 775 O HIS A 42 -13.962 -19.390 25.944 1.00 20.00 O ATOM 776 CB HIS A 42 -12.883 -18.168 23.449 1.00 20.00 C ATOM 777 CG HIS A 42 -13.607 -16.891 23.774 1.00 20.00 C ATOM 778 ND1 HIS A 42 -13.128 -15.977 24.687 1.00 20.00 N ATOM 779 CD2 HIS A 42 -14.756 -16.361 23.287 1.00 20.00 C ATOM 780 CE1 HIS A 42 -13.949 -14.947 24.750 1.00 20.00 C ATOM 781 NE2 HIS A 42 -14.944 -15.153 23.911 1.00 20.00 N ATOM 0 HA HIS A 42 -13.016 -20.289 23.553 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -12.026 -18.258 24.116 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -12.491 -18.094 22.435 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -15.403 -16.807 22.546 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -13.827 -14.080 25.383 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -15.726 -14.518 23.751 1.00 20.00 H new ATOM 790 N ASP A 43 -15.834 -19.664 24.716 1.00 20.00 N ATOM 791 CA ASP A 43 -16.721 -19.802 25.870 1.00 20.00 C ATOM 792 C ASP A 43 -16.320 -21.010 26.701 1.00 20.00 C ATOM 793 O ASP A 43 -16.387 -20.979 27.926 1.00 20.00 O ATOM 794 CB ASP A 43 -18.183 -19.936 25.428 1.00 20.00 C ATOM 795 CG ASP A 43 -19.137 -20.098 26.599 1.00 20.00 C ATOM 796 OD1 ASP A 43 -19.515 -19.075 27.210 1.00 20.00 O ATOM 797 OD2 ASP A 43 -19.522 -21.244 26.910 1.00 20.00 O ATOM 0 H ASP A 43 -16.310 -19.704 23.815 1.00 20.00 H new ATOM 0 HA ASP A 43 -16.626 -18.902 26.477 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -18.467 -19.055 24.853 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -18.280 -20.795 24.764 1.00 20.00 H new ATOM 802 N GLU A 44 -15.873 -22.064 26.019 1.00 20.00 N ATOM 803 CA GLU A 44 -15.397 -23.274 26.682 1.00 20.00 C ATOM 804 C GLU A 44 -14.266 -22.933 27.642 1.00 20.00 C ATOM 805 O GLU A 44 -14.192 -23.447 28.759 1.00 20.00 O ATOM 806 CB GLU A 44 -14.886 -24.282 25.649 1.00 20.00 C ATOM 807 CG GLU A 44 -15.857 -24.560 24.515 1.00 20.00 C ATOM 808 CD GLU A 44 -17.202 -25.045 25.003 1.00 20.00 C ATOM 809 OE1 GLU A 44 -17.254 -26.087 25.687 1.00 20.00 O ATOM 810 OE2 GLU A 44 -18.216 -24.391 24.698 1.00 20.00 O ATOM 0 H GLU A 44 -15.831 -22.102 25.001 1.00 20.00 H new ATOM 0 HA GLU A 44 -16.229 -23.711 27.234 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -13.951 -23.912 25.229 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -14.659 -25.220 26.155 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -15.994 -23.651 23.929 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -15.426 -25.307 23.849 1.00 20.00 H new ATOM 817 N VAL A 45 -13.396 -22.044 27.190 1.00 20.00 N ATOM 818 CA VAL A 45 -12.245 -21.621 27.964 1.00 20.00 C ATOM 819 C VAL A 45 -12.677 -20.739 29.129 1.00 20.00 C ATOM 820 O VAL A 45 -12.407 -21.050 30.289 1.00 20.00 O ATOM 821 CB VAL A 45 -11.242 -20.859 27.076 1.00 20.00 C ATOM 822 CG1 VAL A 45 -10.035 -20.402 27.877 1.00 20.00 C ATOM 823 CG2 VAL A 45 -10.818 -21.723 25.902 1.00 20.00 C ATOM 0 H VAL A 45 -13.470 -21.597 26.276 1.00 20.00 H new ATOM 0 HA VAL A 45 -11.758 -22.513 28.358 1.00 20.00 H new ATOM 0 HB VAL A 45 -11.737 -19.968 26.690 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -9.346 -19.868 27.223 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -10.360 -19.740 28.680 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -9.532 -21.270 28.304 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -10.110 -21.173 25.283 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -10.346 -22.633 26.272 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -11.693 -21.984 25.307 1.00 20.00 H new ATOM 833 N GLU A 46 -13.383 -19.661 28.810 1.00 20.00 N ATOM 834 CA GLU A 46 -13.830 -18.697 29.815 1.00 20.00 C ATOM 835 C GLU A 46 -14.666 -19.369 30.899 1.00 20.00 C ATOM 836 O GLU A 46 -14.602 -18.987 32.068 1.00 20.00 O ATOM 837 CB GLU A 46 -14.647 -17.583 29.161 1.00 20.00 C ATOM 838 CG GLU A 46 -13.896 -16.826 28.080 1.00 20.00 C ATOM 839 CD GLU A 46 -12.703 -16.073 28.626 1.00 20.00 C ATOM 840 OE1 GLU A 46 -12.907 -15.054 29.317 1.00 20.00 O ATOM 841 OE2 GLU A 46 -11.554 -16.492 28.369 1.00 20.00 O ATOM 0 H GLU A 46 -13.661 -19.429 27.856 1.00 20.00 H new ATOM 0 HA GLU A 46 -12.940 -18.272 30.278 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -15.551 -18.013 28.729 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -14.965 -16.879 29.930 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -13.561 -17.527 27.315 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -14.574 -16.124 27.594 1.00 20.00 H new ATOM 848 N ARG A 47 -15.445 -20.365 30.500 1.00 20.00 N ATOM 849 CA ARG A 47 -16.321 -21.078 31.421 1.00 20.00 C ATOM 850 C ARG A 47 -15.523 -21.802 32.500 1.00 20.00 C ATOM 851 O ARG A 47 -15.789 -21.641 33.692 1.00 20.00 O ATOM 852 CB ARG A 47 -17.183 -22.082 30.652 1.00 20.00 C ATOM 853 CG ARG A 47 -18.219 -22.788 31.507 1.00 20.00 C ATOM 854 CD ARG A 47 -19.083 -23.720 30.672 1.00 20.00 C ATOM 855 NE ARG A 47 -19.745 -23.017 29.572 1.00 20.00 N ATOM 856 CZ ARG A 47 -21.036 -23.154 29.264 1.00 20.00 C ATOM 857 NH1 ARG A 47 -21.823 -23.940 29.991 1.00 20.00 N ATOM 858 NH2 ARG A 47 -21.538 -22.492 28.231 1.00 20.00 N ATOM 0 H ARG A 47 -15.488 -20.700 29.537 1.00 20.00 H new ATOM 0 HA ARG A 47 -16.963 -20.344 31.909 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -17.691 -21.562 29.839 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -16.533 -22.829 30.196 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -17.720 -23.357 32.291 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -18.850 -22.049 32.001 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -18.465 -24.523 30.269 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -19.835 -24.185 31.309 1.00 20.00 H new ATOM 0 HE ARG A 47 -19.184 -22.382 29.005 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -21.441 -24.444 30.791 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -22.809 -24.039 29.749 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -20.938 -21.882 27.676 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -22.524 -22.593 27.991 1.00 20.00 H new ATOM 872 N ARG A 48 -14.534 -22.584 32.080 1.00 20.00 N ATOM 873 CA ARG A 48 -13.770 -23.400 33.017 1.00 20.00 C ATOM 874 C ARG A 48 -12.756 -22.559 33.777 1.00 20.00 C ATOM 875 O ARG A 48 -12.514 -22.788 34.963 1.00 20.00 O ATOM 876 CB ARG A 48 -13.071 -24.554 32.297 1.00 20.00 C ATOM 877 CG ARG A 48 -14.032 -25.581 31.715 1.00 20.00 C ATOM 878 CD ARG A 48 -13.295 -26.819 31.232 1.00 20.00 C ATOM 879 NE ARG A 48 -12.598 -27.502 32.321 1.00 20.00 N ATOM 880 CZ ARG A 48 -11.684 -28.453 32.141 1.00 20.00 C ATOM 881 NH1 ARG A 48 -11.358 -28.844 30.913 1.00 20.00 N ATOM 882 NH2 ARG A 48 -11.099 -29.019 33.190 1.00 20.00 N ATOM 0 H ARG A 48 -14.244 -22.670 31.106 1.00 20.00 H new ATOM 0 HA ARG A 48 -14.473 -23.819 33.736 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -12.454 -24.150 31.494 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -12.399 -25.053 32.995 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -14.766 -25.864 32.470 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -14.583 -25.137 30.886 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -14.004 -27.505 30.769 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -12.576 -26.536 30.463 1.00 20.00 H new ATOM 0 HE ARG A 48 -12.826 -27.233 33.278 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -11.809 -28.415 30.105 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -10.657 -29.573 30.779 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -11.350 -28.725 34.134 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -10.399 -29.748 33.052 1.00 20.00 H new ATOM 896 N MET A 49 -12.170 -21.580 33.100 1.00 20.00 N ATOM 897 CA MET A 49 -11.242 -20.662 33.748 1.00 20.00 C ATOM 898 C MET A 49 -11.940 -19.894 34.861 1.00 20.00 C ATOM 899 O MET A 49 -11.366 -19.677 35.926 1.00 20.00 O ATOM 900 CB MET A 49 -10.632 -19.690 32.736 1.00 20.00 C ATOM 901 CG MET A 49 -9.357 -20.202 32.083 1.00 20.00 C ATOM 902 SD MET A 49 -9.548 -21.838 31.345 1.00 20.00 S ATOM 903 CE MET A 49 -7.922 -22.079 30.633 1.00 20.00 C ATOM 0 H MET A 49 -12.320 -21.401 32.107 1.00 20.00 H new ATOM 0 HA MET A 49 -10.435 -21.253 34.182 1.00 20.00 H new ATOM 0 HB2 MET A 49 -11.368 -19.480 31.959 1.00 20.00 H new ATOM 0 HB3 MET A 49 -10.419 -18.746 33.237 1.00 20.00 H new ATOM 0 HG2 MET A 49 -9.042 -19.497 31.314 1.00 20.00 H new ATOM 0 HG3 MET A 49 -8.563 -20.237 32.828 1.00 20.00 H new ATOM 0 HE1 MET A 49 -7.881 -23.050 30.139 1.00 20.00 H new ATOM 0 HE2 MET A 49 -7.723 -21.293 29.905 1.00 20.00 H new ATOM 0 HE3 MET A 49 -7.170 -22.041 31.421 1.00 20.00 H new ATOM 913 N ALA A 50 -13.189 -19.505 34.615 1.00 20.00 N ATOM 914 CA ALA A 50 -13.986 -18.810 35.619 1.00 20.00 C ATOM 915 C ALA A 50 -14.163 -19.669 36.863 1.00 20.00 C ATOM 916 O ALA A 50 -14.134 -19.166 37.986 1.00 20.00 O ATOM 917 CB ALA A 50 -15.338 -18.424 35.047 1.00 20.00 C ATOM 0 H ALA A 50 -13.670 -19.660 33.729 1.00 20.00 H new ATOM 0 HA ALA A 50 -13.455 -17.902 35.905 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -15.921 -17.906 35.809 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -15.196 -17.766 34.189 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -15.869 -19.322 34.732 1.00 20.00 H new ATOM 923 N GLU A 51 -14.324 -20.972 36.651 1.00 20.00 N ATOM 924 CA GLU A 51 -14.478 -21.918 37.748 1.00 20.00 C ATOM 925 C GLU A 51 -13.201 -21.971 38.577 1.00 20.00 C ATOM 926 O GLU A 51 -13.241 -22.112 39.801 1.00 20.00 O ATOM 927 CB GLU A 51 -14.809 -23.315 37.214 1.00 20.00 C ATOM 928 CG GLU A 51 -16.075 -23.376 36.372 1.00 20.00 C ATOM 929 CD GLU A 51 -16.412 -24.786 35.936 1.00 20.00 C ATOM 930 OE1 GLU A 51 -15.860 -25.248 34.919 1.00 20.00 O ATOM 931 OE2 GLU A 51 -17.232 -25.446 36.613 1.00 20.00 O ATOM 0 H GLU A 51 -14.351 -21.397 35.724 1.00 20.00 H new ATOM 0 HA GLU A 51 -15.301 -21.582 38.378 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -13.970 -23.671 36.616 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -14.913 -23.999 38.056 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -16.908 -22.967 36.944 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -15.953 -22.746 35.491 1.00 20.00 H new ATOM 938 N ARG A 52 -12.070 -21.838 37.896 1.00 20.00 N ATOM 939 CA ARG A 52 -10.771 -21.846 38.551 1.00 20.00 C ATOM 940 C ARG A 52 -10.545 -20.550 39.321 1.00 20.00 C ATOM 941 O ARG A 52 -10.094 -20.570 40.466 1.00 20.00 O ATOM 942 CB ARG A 52 -9.647 -22.050 37.527 1.00 20.00 C ATOM 943 CG ARG A 52 -9.631 -23.430 36.885 1.00 20.00 C ATOM 944 CD ARG A 52 -9.453 -24.528 37.926 1.00 20.00 C ATOM 945 NE ARG A 52 -8.264 -24.311 38.751 1.00 20.00 N ATOM 946 CZ ARG A 52 -7.958 -25.033 39.828 1.00 20.00 C ATOM 947 NH1 ARG A 52 -8.735 -26.042 40.201 1.00 20.00 N ATOM 948 NH2 ARG A 52 -6.872 -24.742 40.532 1.00 20.00 N ATOM 0 H ARG A 52 -12.028 -21.723 36.883 1.00 20.00 H new ATOM 0 HA ARG A 52 -10.757 -22.677 39.256 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -9.744 -21.298 36.744 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -8.689 -21.878 38.017 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -10.562 -23.590 36.341 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -8.823 -23.484 36.156 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -10.335 -24.569 38.565 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -9.376 -25.493 37.426 1.00 20.00 H new ATOM 0 HE ARG A 52 -7.629 -23.559 38.484 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -9.571 -26.268 39.662 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -8.496 -26.592 41.026 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -6.273 -23.967 40.248 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -6.636 -25.294 41.357 1.00 20.00 H new ATOM 962 N PHE A 53 -10.867 -19.423 38.693 1.00 20.00 N ATOM 963 CA PHE A 53 -10.717 -18.126 39.339 1.00 20.00 C ATOM 964 C PHE A 53 -11.636 -18.016 40.548 1.00 20.00 C ATOM 965 O PHE A 53 -11.246 -17.488 41.587 1.00 20.00 O ATOM 966 CB PHE A 53 -10.999 -16.985 38.357 1.00 20.00 C ATOM 967 CG PHE A 53 -9.962 -16.843 37.275 1.00 20.00 C ATOM 968 CD1 PHE A 53 -8.614 -16.751 37.594 1.00 20.00 C ATOM 969 CD2 PHE A 53 -10.334 -16.796 35.940 1.00 20.00 C ATOM 970 CE1 PHE A 53 -7.661 -16.617 36.602 1.00 20.00 C ATOM 971 CE2 PHE A 53 -9.384 -16.663 34.946 1.00 20.00 C ATOM 972 CZ PHE A 53 -8.047 -16.573 35.277 1.00 20.00 C ATOM 0 H PHE A 53 -11.232 -19.383 37.741 1.00 20.00 H new ATOM 0 HA PHE A 53 -9.684 -18.041 39.676 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -11.973 -17.148 37.895 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -11.063 -16.049 38.911 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -8.307 -16.785 38.629 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -11.379 -16.864 35.674 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -6.615 -16.547 36.863 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -9.687 -16.629 33.910 1.00 20.00 H new ATOM 0 HZ PHE A 53 -7.304 -16.468 34.501 1.00 20.00 H new ATOM 982 N ALA A 54 -12.846 -18.537 40.419 1.00 20.00 N ATOM 983 CA ALA A 54 -13.807 -18.514 41.515 1.00 20.00 C ATOM 984 C ALA A 54 -13.303 -19.327 42.703 1.00 20.00 C ATOM 985 O ALA A 54 -13.705 -19.098 43.843 1.00 20.00 O ATOM 986 CB ALA A 54 -15.151 -19.044 41.048 1.00 20.00 C ATOM 0 H ALA A 54 -13.188 -18.981 39.567 1.00 20.00 H new ATOM 0 HA ALA A 54 -13.927 -17.480 41.838 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -15.859 -19.021 41.877 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -15.524 -18.422 40.234 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -15.036 -20.070 40.697 1.00 20.00 H new ATOM 992 N LYS A 55 -12.418 -20.274 42.424 1.00 20.00 N ATOM 993 CA LYS A 55 -11.862 -21.129 43.457 1.00 20.00 C ATOM 994 C LYS A 55 -10.588 -20.525 44.046 1.00 20.00 C ATOM 995 O LYS A 55 -10.475 -20.364 45.261 1.00 20.00 O ATOM 996 CB LYS A 55 -11.568 -22.520 42.888 1.00 20.00 C ATOM 997 CG LYS A 55 -11.045 -23.506 43.920 1.00 20.00 C ATOM 998 CD LYS A 55 -10.700 -24.838 43.287 1.00 20.00 C ATOM 999 CE LYS A 55 -10.291 -25.861 44.334 1.00 20.00 C ATOM 1000 NZ LYS A 55 -11.400 -26.163 45.277 1.00 20.00 N ATOM 0 H LYS A 55 -12.070 -20.468 41.485 1.00 20.00 H new ATOM 0 HA LYS A 55 -12.598 -21.216 44.256 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -12.479 -22.921 42.445 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -10.837 -22.427 42.085 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -10.161 -23.092 44.405 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -11.795 -23.654 44.697 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -11.559 -25.210 42.729 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -9.889 -24.703 42.572 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -9.974 -26.780 43.840 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -9.432 -25.487 44.891 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -11.187 -27.040 45.794 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -11.505 -25.379 45.952 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -12.286 -26.282 44.745 1.00 20.00 H new ATOM 1014 N MET A 56 -9.642 -20.179 43.180 1.00 20.00 N ATOM 1015 CA MET A 56 -8.325 -19.721 43.621 1.00 20.00 C ATOM 1016 C MET A 56 -8.354 -18.257 44.054 1.00 20.00 C ATOM 1017 O MET A 56 -7.819 -17.899 45.106 1.00 20.00 O ATOM 1018 CB MET A 56 -7.292 -19.926 42.507 1.00 20.00 C ATOM 1019 CG MET A 56 -5.872 -19.551 42.907 1.00 20.00 C ATOM 1020 SD MET A 56 -4.692 -19.765 41.560 1.00 20.00 S ATOM 1021 CE MET A 56 -5.291 -18.551 40.385 1.00 20.00 C ATOM 0 H MET A 56 -9.761 -20.206 42.167 1.00 20.00 H new ATOM 0 HA MET A 56 -8.039 -20.317 44.488 1.00 20.00 H new ATOM 0 HB2 MET A 56 -7.308 -20.971 42.198 1.00 20.00 H new ATOM 0 HB3 MET A 56 -7.584 -19.333 41.640 1.00 20.00 H new ATOM 0 HG2 MET A 56 -5.854 -18.513 43.239 1.00 20.00 H new ATOM 0 HG3 MET A 56 -5.564 -20.162 43.755 1.00 20.00 H new ATOM 0 HE1 MET A 56 -4.498 -18.305 39.679 1.00 20.00 H new ATOM 0 HE2 MET A 56 -6.145 -18.959 39.844 1.00 20.00 H new ATOM 0 HE3 MET A 56 -5.596 -17.649 40.917 1.00 20.00 H new ATOM 1031 N ARG A 57 -8.980 -17.412 43.246 1.00 20.00 N ATOM 1032 CA ARG A 57 -9.086 -15.993 43.564 1.00 20.00 C ATOM 1033 C ARG A 57 -10.074 -15.816 44.706 1.00 20.00 C ATOM 1034 O ARG A 57 -9.804 -15.096 45.668 1.00 20.00 O ATOM 1035 CB ARG A 57 -9.540 -15.201 42.334 1.00 20.00 C ATOM 1036 CG ARG A 57 -9.468 -13.693 42.504 1.00 20.00 C ATOM 1037 CD ARG A 57 -9.914 -12.973 41.241 1.00 20.00 C ATOM 1038 NE ARG A 57 -9.706 -11.529 41.328 1.00 20.00 N ATOM 1039 CZ ARG A 57 -10.112 -10.659 40.403 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -10.788 -11.077 39.340 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -9.850 -9.369 40.548 1.00 20.00 N ATOM 0 H ARG A 57 -9.421 -17.683 42.367 1.00 20.00 H new ATOM 0 HA ARG A 57 -8.110 -15.613 43.866 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -8.924 -15.489 41.482 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -10.566 -15.480 42.094 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -10.097 -13.389 43.340 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -8.447 -13.401 42.751 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -9.364 -13.367 40.386 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -10.970 -13.176 41.062 1.00 20.00 H new ATOM 0 HE ARG A 57 -9.220 -11.164 42.147 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -10.999 -12.068 39.228 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -11.096 -10.407 38.636 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -9.338 -9.042 41.367 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -10.160 -8.703 39.841 1.00 20.00 H new