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= -1.31 K(o=-1.3,f=0) USER MOD Single : A 20 SER OG : rot -79:sc= 1.2 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.093 (180deg=-0.383) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 49 MET CE :methyl 162:sc= -0.183 (180deg=-0.689) USER MOD Single : A 55 LYS NZ :NH3+ -145:sc= -1.06 (180deg=-2.99!) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -32.054 -0.656 2.685 1.00 20.00 N ATOM 365 CA GLU A 16 -31.690 -1.647 1.677 1.00 20.00 C ATOM 366 C GLU A 16 -30.171 -1.726 1.506 1.00 20.00 C ATOM 367 O GLU A 16 -29.619 -2.800 1.259 1.00 20.00 O ATOM 368 CB GLU A 16 -32.364 -1.334 0.328 1.00 20.00 C ATOM 369 CG GLU A 16 -31.850 -0.081 -0.375 1.00 20.00 C ATOM 370 CD GLU A 16 -32.082 1.187 0.418 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.191 1.747 0.337 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.157 1.620 1.136 1.00 20.00 O ATOM 0 HA GLU A 16 -32.047 -2.617 2.024 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.226 -2.187 -0.336 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -33.436 -1.227 0.491 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.783 -0.192 -0.566 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.340 0.010 -1.345 1.00 20.00 H new ATOM 379 N GLN A 17 -29.508 -0.584 1.654 1.00 20.00 N ATOM 380 CA GLN A 17 -28.058 -0.504 1.528 1.00 20.00 C ATOM 381 C GLN A 17 -27.365 -1.386 2.566 1.00 20.00 C ATOM 382 O GLN A 17 -26.375 -2.049 2.265 1.00 20.00 O ATOM 383 CB GLN A 17 -27.595 0.950 1.669 1.00 20.00 C ATOM 384 CG GLN A 17 -26.093 1.140 1.514 1.00 20.00 C ATOM 385 CD GLN A 17 -25.683 2.599 1.536 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.407 3.162 2.595 1.00 20.00 O ATOM 387 NE2 GLN A 17 -25.634 3.216 0.367 1.00 20.00 N ATOM 0 H GLN A 17 -29.958 0.307 1.863 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.782 -0.869 0.539 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -28.106 1.557 0.922 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -27.899 1.324 2.647 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -25.579 0.610 2.316 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.769 0.690 0.576 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.871 2.711 -0.487 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -25.359 4.197 0.319 1.00 20.00 H new ATOM 396 N GLU A 18 -27.908 -1.415 3.776 1.00 20.00 N ATOM 397 CA GLU A 18 -27.325 -2.209 4.853 1.00 20.00 C ATOM 398 C GLU A 18 -27.693 -3.677 4.674 1.00 20.00 C ATOM 399 O GLU A 18 -26.945 -4.575 5.061 1.00 20.00 O ATOM 400 CB GLU A 18 -27.812 -1.703 6.218 1.00 20.00 C ATOM 401 CG GLU A 18 -27.243 -2.474 7.401 1.00 20.00 C ATOM 402 CD GLU A 18 -27.747 -1.959 8.732 1.00 20.00 C ATOM 403 OE1 GLU A 18 -28.829 -2.400 9.174 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.060 -1.115 9.348 1.00 20.00 O ATOM 0 H GLU A 18 -28.749 -0.900 4.037 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.240 -2.108 4.815 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.546 -0.651 6.321 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.900 -1.761 6.249 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.504 -3.528 7.302 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.155 -2.412 7.380 1.00 20.00 H new ATOM 411 N ASN A 19 -28.846 -3.909 4.061 1.00 20.00 N ATOM 412 CA ASN A 19 -29.337 -5.265 3.836 1.00 20.00 C ATOM 413 C ASN A 19 -28.416 -6.040 2.905 1.00 20.00 C ATOM 414 O ASN A 19 -28.369 -7.264 2.962 1.00 20.00 O ATOM 415 CB ASN A 19 -30.756 -5.252 3.262 1.00 20.00 C ATOM 416 CG ASN A 19 -31.827 -5.004 4.310 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.964 -5.457 4.165 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.480 -4.296 5.373 1.00 20.00 N ATOM 0 H ASN A 19 -29.461 -3.175 3.709 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.354 -5.763 4.805 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.823 -4.481 2.495 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.951 -6.206 2.772 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.164 -4.109 6.107 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.529 -3.937 5.459 1.00 20.00 H new ATOM 425 N SER A 20 -27.674 -5.330 2.058 1.00 20.00 N ATOM 426 CA SER A 20 -26.766 -5.987 1.125 1.00 20.00 C ATOM 427 C SER A 20 -25.710 -6.782 1.894 1.00 20.00 C ATOM 428 O SER A 20 -25.479 -7.957 1.616 1.00 20.00 O ATOM 429 CB SER A 20 -26.102 -4.963 0.193 1.00 20.00 C ATOM 430 OG SER A 20 -25.279 -4.059 0.913 1.00 20.00 O ATOM 0 H SER A 20 -27.684 -4.312 1.999 1.00 20.00 H new ATOM 0 HA SER A 20 -27.343 -6.676 0.508 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.504 -5.484 -0.554 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.870 -4.407 -0.345 1.00 20.00 H new ATOM 0 HG SER A 20 -25.838 -3.374 1.336 1.00 20.00 H new ATOM 436 N TYR A 21 -25.104 -6.139 2.889 1.00 20.00 N ATOM 437 CA TYR A 21 -24.102 -6.784 3.731 1.00 20.00 C ATOM 438 C TYR A 21 -24.702 -7.998 4.427 1.00 20.00 C ATOM 439 O TYR A 21 -24.050 -9.030 4.582 1.00 20.00 O ATOM 440 CB TYR A 21 -23.572 -5.802 4.779 1.00 20.00 C ATOM 441 CG TYR A 21 -22.944 -4.554 4.200 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.591 -4.514 3.892 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.703 -3.412 3.970 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.012 -3.373 3.370 1.00 20.00 C ATOM 445 CE2 TYR A 21 -23.131 -2.269 3.449 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.785 -2.254 3.152 1.00 20.00 C ATOM 447 OH TYR A 21 -21.211 -1.114 2.635 1.00 20.00 O ATOM 0 H TYR A 21 -25.291 -5.166 3.132 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.276 -7.106 3.096 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.392 -5.511 5.435 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.834 -6.312 5.398 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -20.981 -5.389 4.063 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.758 -3.419 4.203 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.958 -3.359 3.134 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -23.735 -1.391 3.275 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.894 -0.417 2.542 1.00 20.00 H new ATOM 457 N ASN A 22 -25.958 -7.861 4.830 1.00 20.00 N ATOM 458 CA ASN A 22 -26.676 -8.929 5.514 1.00 20.00 C ATOM 459 C ASN A 22 -26.916 -10.108 4.578 1.00 20.00 C ATOM 460 O ASN A 22 -26.715 -11.263 4.953 1.00 20.00 O ATOM 461 CB ASN A 22 -28.013 -8.402 6.053 1.00 20.00 C ATOM 462 CG ASN A 22 -28.819 -9.463 6.780 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.644 -9.671 7.981 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.719 -10.130 6.068 1.00 20.00 N ATOM 0 H ASN A 22 -26.506 -7.012 4.693 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.065 -9.274 6.348 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.823 -7.570 6.731 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.603 -8.009 5.225 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.295 -10.844 6.514 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.834 -9.929 5.075 1.00 20.00 H new ATOM 471 N GLU A 23 -27.326 -9.810 3.353 1.00 20.00 N ATOM 472 CA GLU A 23 -27.632 -10.845 2.378 1.00 20.00 C ATOM 473 C GLU A 23 -26.373 -11.587 1.953 1.00 20.00 C ATOM 474 O GLU A 23 -26.373 -12.813 1.859 1.00 20.00 O ATOM 475 CB GLU A 23 -28.339 -10.247 1.161 1.00 20.00 C ATOM 476 CG GLU A 23 -29.721 -9.695 1.479 1.00 20.00 C ATOM 477 CD GLU A 23 -30.626 -10.732 2.111 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.140 -11.601 1.375 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.828 -10.688 3.343 1.00 20.00 O ATOM 0 H GLU A 23 -27.454 -8.858 3.011 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.303 -11.563 2.850 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -27.723 -9.449 0.747 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.429 -11.012 0.390 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.623 -8.844 2.152 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.181 -9.325 0.563 1.00 20.00 H new ATOM 486 N TRP A 24 -25.295 -10.847 1.720 1.00 20.00 N ATOM 487 CA TRP A 24 -24.022 -11.459 1.351 1.00 20.00 C ATOM 488 C TRP A 24 -23.451 -12.271 2.514 1.00 20.00 C ATOM 489 O TRP A 24 -22.730 -13.249 2.308 1.00 20.00 O ATOM 490 CB TRP A 24 -23.016 -10.397 0.891 1.00 20.00 C ATOM 491 CG TRP A 24 -23.298 -9.866 -0.484 1.00 20.00 C ATOM 492 CD1 TRP A 24 -23.961 -8.716 -0.803 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.925 -10.471 -1.728 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.024 -8.569 -2.167 1.00 20.00 N ATOM 495 CE2 TRP A 24 -23.395 -9.631 -2.756 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.239 -11.639 -2.071 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -23.199 -9.926 -4.103 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.045 -11.929 -3.408 1.00 20.00 C ATOM 499 CH2 TRP A 24 -22.523 -11.076 -4.410 1.00 20.00 C ATOM 0 H TRP A 24 -25.275 -9.829 1.779 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.206 -12.137 0.518 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.022 -9.570 1.600 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.014 -10.825 0.909 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.376 -8.022 -0.087 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -24.468 -7.794 -2.660 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.867 -12.303 -1.305 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -23.567 -9.270 -4.878 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.516 -12.829 -3.685 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.355 -11.330 -5.446 1.00 20.00 H new ATOM 510 N LEU A 25 -23.789 -11.873 3.732 1.00 20.00 N ATOM 511 CA LEU A 25 -23.368 -12.606 4.921 1.00 20.00 C ATOM 512 C LEU A 25 -24.177 -13.892 5.048 1.00 20.00 C ATOM 513 O LEU A 25 -23.663 -14.930 5.464 1.00 20.00 O ATOM 514 CB LEU A 25 -23.549 -11.739 6.173 1.00 20.00 C ATOM 515 CG LEU A 25 -23.105 -12.375 7.493 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.609 -12.647 7.490 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.479 -11.479 8.665 1.00 20.00 C ATOM 0 H LEU A 25 -24.354 -11.046 3.925 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.312 -12.859 4.826 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.994 -10.812 6.033 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.602 -11.470 6.257 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.623 -13.328 7.602 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.319 -13.099 8.439 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.365 -13.328 6.674 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.069 -11.710 7.355 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.157 -11.945 9.596 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.989 -10.512 8.554 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.560 -11.338 8.685 1.00 20.00 H new ATOM 529 N ARG A 26 -25.445 -13.815 4.670 1.00 20.00 N ATOM 530 CA ARG A 26 -26.333 -14.968 4.714 1.00 20.00 C ATOM 531 C ARG A 26 -25.995 -15.925 3.573 1.00 20.00 C ATOM 532 O ARG A 26 -26.123 -17.141 3.713 1.00 20.00 O ATOM 533 CB ARG A 26 -27.797 -14.496 4.632 1.00 20.00 C ATOM 534 CG ARG A 26 -28.843 -15.565 4.943 1.00 20.00 C ATOM 535 CD ARG A 26 -29.115 -16.481 3.756 1.00 20.00 C ATOM 536 NE ARG A 26 -30.056 -17.546 4.092 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.254 -18.632 3.346 1.00 20.00 C ATOM 538 NH1 ARG A 26 -29.630 -18.766 2.183 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.089 -19.577 3.753 1.00 20.00 N ATOM 0 H ARG A 26 -25.884 -12.960 4.327 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.198 -15.502 5.655 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.933 -13.665 5.324 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.982 -14.110 3.630 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.505 -16.163 5.789 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.772 -15.082 5.245 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.512 -15.894 2.928 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -28.178 -16.920 3.414 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.596 -17.453 4.952 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.996 -18.036 1.857 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -29.784 -19.599 1.615 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.582 -19.474 4.640 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -31.238 -20.407 3.179 1.00 20.00 H new ATOM 553 N ALA A 27 -25.540 -15.363 2.460 1.00 20.00 N ATOM 554 CA ALA A 27 -25.210 -16.138 1.269 1.00 20.00 C ATOM 555 C ALA A 27 -24.114 -17.160 1.537 1.00 20.00 C ATOM 556 O ALA A 27 -24.184 -18.293 1.054 1.00 20.00 O ATOM 557 CB ALA A 27 -24.792 -15.214 0.139 1.00 20.00 C ATOM 0 H ALA A 27 -25.389 -14.359 2.357 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.107 -16.685 0.979 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.549 -15.806 -0.744 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.610 -14.533 -0.095 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.917 -14.640 0.443 1.00 20.00 H new ATOM 563 N LYS A 28 -23.104 -16.763 2.304 1.00 20.00 N ATOM 564 CA LYS A 28 -21.993 -17.658 2.599 1.00 20.00 C ATOM 565 C LYS A 28 -22.427 -18.747 3.579 1.00 20.00 C ATOM 566 O LYS A 28 -21.809 -19.809 3.659 1.00 20.00 O ATOM 567 CB LYS A 28 -20.769 -16.870 3.114 1.00 20.00 C ATOM 568 CG LYS A 28 -20.951 -16.160 4.452 1.00 20.00 C ATOM 569 CD LYS A 28 -20.670 -17.083 5.630 1.00 20.00 C ATOM 570 CE LYS A 28 -20.580 -16.315 6.944 1.00 20.00 C ATOM 571 NZ LYS A 28 -19.435 -15.366 6.952 1.00 20.00 N ATOM 0 H LYS A 28 -23.032 -15.838 2.728 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.689 -18.151 1.675 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -19.928 -17.558 3.201 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.497 -16.127 2.364 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.285 -15.299 4.499 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.970 -15.779 4.525 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -21.459 -17.832 5.701 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.736 -17.618 5.457 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -21.508 -15.767 7.109 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -20.475 -17.019 7.770 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -19.271 -15.028 7.922 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -18.582 -15.849 6.605 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -19.650 -14.557 6.335 1.00 20.00 H new ATOM 585 N VAL A 29 -23.510 -18.487 4.304 1.00 20.00 N ATOM 586 CA VAL A 29 -24.068 -19.468 5.220 1.00 20.00 C ATOM 587 C VAL A 29 -25.015 -20.402 4.472 1.00 20.00 C ATOM 588 O VAL A 29 -24.746 -21.600 4.370 1.00 20.00 O ATOM 589 CB VAL A 29 -24.822 -18.797 6.392 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.390 -19.843 7.339 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.906 -17.845 7.143 1.00 20.00 C ATOM 0 H VAL A 29 -24.018 -17.603 4.273 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.237 -20.038 5.636 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.651 -18.224 5.977 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.916 -19.348 8.155 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -26.084 -20.486 6.797 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.578 -20.446 7.744 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.455 -17.383 7.964 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.055 -18.397 7.541 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.550 -17.071 6.463 1.00 20.00 H new ATOM 772 N HIS A 42 -12.444 -19.003 29.328 1.00 20.00 N ATOM 773 CA HIS A 42 -11.729 -17.736 29.432 1.00 20.00 C ATOM 774 C HIS A 42 -10.596 -17.838 30.450 1.00 20.00 C ATOM 775 O HIS A 42 -9.646 -17.062 30.408 1.00 20.00 O ATOM 776 CB HIS A 42 -12.677 -16.572 29.782 1.00 20.00 C ATOM 777 CG HIS A 42 -13.469 -16.746 31.049 1.00 20.00 C ATOM 778 ND1 HIS A 42 -14.798 -17.116 31.060 1.00 20.00 N ATOM 779 CD2 HIS A 42 -13.124 -16.562 32.345 1.00 20.00 C ATOM 780 CE1 HIS A 42 -15.233 -17.150 32.305 1.00 20.00 C ATOM 781 NE2 HIS A 42 -14.237 -16.817 33.102 1.00 20.00 N ATOM 0 HA HIS A 42 -11.298 -17.522 28.454 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -12.089 -15.658 29.864 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -13.373 -16.431 28.955 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -12.152 -16.269 32.714 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -16.234 -17.407 32.618 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -14.287 -16.759 34.119 1.00 20.00 H new ATOM 790 N ASP A 43 -10.700 -18.811 31.355 1.00 20.00 N ATOM 791 CA ASP A 43 -9.635 -19.079 32.319 1.00 20.00 C ATOM 792 C ASP A 43 -8.366 -19.493 31.594 1.00 20.00 C ATOM 793 O ASP A 43 -7.262 -19.088 31.962 1.00 20.00 O ATOM 794 CB ASP A 43 -10.031 -20.189 33.298 1.00 20.00 C ATOM 795 CG ASP A 43 -11.214 -19.823 34.163 1.00 20.00 C ATOM 796 OD1 ASP A 43 -11.012 -19.167 35.203 1.00 20.00 O ATOM 797 OD2 ASP A 43 -12.348 -20.197 33.811 1.00 20.00 O ATOM 0 H ASP A 43 -11.510 -19.425 31.440 1.00 20.00 H new ATOM 0 HA ASP A 43 -9.464 -18.161 32.881 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -10.265 -21.094 32.737 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -9.179 -20.422 33.937 1.00 20.00 H new ATOM 802 N GLU A 44 -8.540 -20.292 30.552 1.00 20.00 N ATOM 803 CA GLU A 44 -7.424 -20.797 29.775 1.00 20.00 C ATOM 804 C GLU A 44 -6.845 -19.693 28.909 1.00 20.00 C ATOM 805 O GLU A 44 -5.631 -19.599 28.742 1.00 20.00 O ATOM 806 CB GLU A 44 -7.864 -21.973 28.903 1.00 20.00 C ATOM 807 CG GLU A 44 -6.765 -22.496 27.996 1.00 20.00 C ATOM 808 CD GLU A 44 -7.186 -23.719 27.216 1.00 20.00 C ATOM 809 OE1 GLU A 44 -7.267 -24.809 27.819 1.00 20.00 O ATOM 810 OE2 GLU A 44 -7.424 -23.602 25.997 1.00 20.00 O ATOM 0 H GLU A 44 -9.454 -20.606 30.225 1.00 20.00 H new ATOM 0 HA GLU A 44 -6.655 -21.146 30.464 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -8.210 -22.782 29.546 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -8.713 -21.665 28.292 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -6.469 -21.711 27.301 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -5.888 -22.737 28.597 1.00 20.00 H new ATOM 817 N VAL A 45 -7.721 -18.852 28.374 1.00 20.00 N ATOM 818 CA VAL A 45 -7.299 -17.736 27.538 1.00 20.00 C ATOM 819 C VAL A 45 -6.370 -16.815 28.318 1.00 20.00 C ATOM 820 O VAL A 45 -5.355 -16.365 27.798 1.00 20.00 O ATOM 821 CB VAL A 45 -8.502 -16.931 27.007 1.00 20.00 C ATOM 822 CG1 VAL A 45 -8.038 -15.765 26.146 1.00 20.00 C ATOM 823 CG2 VAL A 45 -9.439 -17.834 26.221 1.00 20.00 C ATOM 0 H VAL A 45 -8.730 -18.922 28.505 1.00 20.00 H new ATOM 0 HA VAL A 45 -6.768 -18.152 26.682 1.00 20.00 H new ATOM 0 HB VAL A 45 -9.044 -16.526 27.861 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -8.905 -15.213 25.783 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -7.408 -15.102 26.740 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -7.468 -16.143 25.297 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -10.283 -17.251 25.853 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -8.903 -18.268 25.377 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -9.804 -18.631 26.868 1.00 20.00 H new ATOM 833 N GLU A 46 -6.718 -16.562 29.575 1.00 20.00 N ATOM 834 CA GLU A 46 -5.882 -15.750 30.459 1.00 20.00 C ATOM 835 C GLU A 46 -4.488 -16.351 30.595 1.00 20.00 C ATOM 836 O GLU A 46 -3.480 -15.648 30.519 1.00 20.00 O ATOM 837 CB GLU A 46 -6.515 -15.631 31.848 1.00 20.00 C ATOM 838 CG GLU A 46 -7.862 -14.935 31.857 1.00 20.00 C ATOM 839 CD GLU A 46 -8.491 -14.929 33.233 1.00 20.00 C ATOM 840 OE1 GLU A 46 -7.887 -14.357 34.160 1.00 20.00 O ATOM 841 OE2 GLU A 46 -9.600 -15.490 33.392 1.00 20.00 O ATOM 0 H GLU A 46 -7.575 -16.907 30.008 1.00 20.00 H new ATOM 0 HA GLU A 46 -5.802 -14.759 30.013 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -6.631 -16.630 32.269 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -5.833 -15.087 32.501 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -7.742 -13.909 31.510 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -8.531 -15.433 31.155 1.00 20.00 H new ATOM 848 N ARG A 47 -4.444 -17.660 30.781 1.00 20.00 N ATOM 849 CA ARG A 47 -3.188 -18.366 30.992 1.00 20.00 C ATOM 850 C ARG A 47 -2.411 -18.481 29.682 1.00 20.00 C ATOM 851 O ARG A 47 -1.181 -18.480 29.668 1.00 20.00 O ATOM 852 CB ARG A 47 -3.479 -19.749 31.578 1.00 20.00 C ATOM 853 CG ARG A 47 -2.243 -20.526 31.998 1.00 20.00 C ATOM 854 CD ARG A 47 -2.625 -21.851 32.634 1.00 20.00 C ATOM 855 NE ARG A 47 -3.512 -21.661 33.783 1.00 20.00 N ATOM 856 CZ ARG A 47 -4.439 -22.536 34.166 1.00 20.00 C ATOM 857 NH1 ARG A 47 -4.599 -23.675 33.500 1.00 20.00 N ATOM 858 NH2 ARG A 47 -5.206 -22.275 35.218 1.00 20.00 N ATOM 0 H ARG A 47 -5.269 -18.260 30.790 1.00 20.00 H new ATOM 0 HA ARG A 47 -2.571 -17.805 31.694 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -4.132 -19.633 32.443 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -4.028 -20.334 30.840 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -1.609 -20.704 31.130 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -1.659 -19.935 32.703 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -3.117 -22.482 31.894 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -1.724 -22.376 32.952 1.00 20.00 H new ATOM 0 HE ARG A 47 -3.413 -20.803 34.325 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -4.010 -23.881 32.693 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -5.310 -24.343 33.796 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -5.085 -21.403 35.734 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -5.916 -22.946 35.511 1.00 20.00 H new ATOM 872 N ARG A 48 -3.144 -18.565 28.585 1.00 20.00 N ATOM 873 CA ARG A 48 -2.549 -18.650 27.260 1.00 20.00 C ATOM 874 C ARG A 48 -2.000 -17.288 26.847 1.00 20.00 C ATOM 875 O ARG A 48 -0.893 -17.179 26.322 1.00 20.00 O ATOM 876 CB ARG A 48 -3.605 -19.120 26.251 1.00 20.00 C ATOM 877 CG ARG A 48 -3.075 -19.388 24.850 1.00 20.00 C ATOM 878 CD ARG A 48 -2.224 -20.649 24.792 1.00 20.00 C ATOM 879 NE ARG A 48 -1.869 -20.998 23.418 1.00 20.00 N ATOM 880 CZ ARG A 48 -1.229 -22.112 23.070 1.00 20.00 C ATOM 881 NH1 ARG A 48 -0.877 -23.000 23.994 1.00 20.00 N ATOM 882 NH2 ARG A 48 -0.947 -22.341 21.796 1.00 20.00 N ATOM 0 H ARG A 48 -4.164 -18.576 28.586 1.00 20.00 H new ATOM 0 HA ARG A 48 -1.729 -19.368 27.280 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -4.068 -20.031 26.629 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -4.389 -18.366 26.189 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -3.912 -19.484 24.158 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -2.483 -18.536 24.518 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -1.316 -20.502 25.377 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -2.767 -21.476 25.249 1.00 20.00 H new ATOM 0 HE ARG A 48 -2.128 -20.346 22.678 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -1.097 -22.829 24.975 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -0.387 -23.852 23.722 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -1.220 -21.664 21.084 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -0.457 -23.194 21.528 1.00 20.00 H new ATOM 896 N MET A 49 -2.781 -16.251 27.118 1.00 20.00 N ATOM 897 CA MET A 49 -2.424 -14.886 26.754 1.00 20.00 C ATOM 898 C MET A 49 -1.241 -14.400 27.581 1.00 20.00 C ATOM 899 O MET A 49 -0.506 -13.509 27.163 1.00 20.00 O ATOM 900 CB MET A 49 -3.625 -13.963 26.959 1.00 20.00 C ATOM 901 CG MET A 49 -3.469 -12.595 26.318 1.00 20.00 C ATOM 902 SD MET A 49 -3.209 -12.685 24.534 1.00 20.00 S ATOM 903 CE MET A 49 -4.679 -13.573 24.019 1.00 20.00 C ATOM 0 H MET A 49 -3.679 -16.332 27.596 1.00 20.00 H new ATOM 0 HA MET A 49 -2.136 -14.870 25.703 1.00 20.00 H new ATOM 0 HB2 MET A 49 -4.514 -14.445 26.552 1.00 20.00 H new ATOM 0 HB3 MET A 49 -3.793 -13.835 28.028 1.00 20.00 H new ATOM 0 HG2 MET A 49 -4.359 -12.000 26.521 1.00 20.00 H new ATOM 0 HG3 MET A 49 -2.627 -12.077 26.778 1.00 20.00 H new ATOM 0 HE1 MET A 49 -4.832 -13.433 22.949 1.00 20.00 H new ATOM 0 HE2 MET A 49 -4.556 -14.635 24.233 1.00 20.00 H new ATOM 0 HE3 MET A 49 -5.544 -13.191 24.562 1.00 20.00 H new ATOM 913 N ALA A 50 -1.059 -15.002 28.751 1.00 20.00 N ATOM 914 CA ALA A 50 0.073 -14.683 29.611 1.00 20.00 C ATOM 915 C ALA A 50 1.392 -14.906 28.881 1.00 20.00 C ATOM 916 O ALA A 50 2.369 -14.189 29.102 1.00 20.00 O ATOM 917 CB ALA A 50 0.022 -15.520 30.876 1.00 20.00 C ATOM 0 H ALA A 50 -1.684 -15.716 29.126 1.00 20.00 H new ATOM 0 HA ALA A 50 0.010 -13.629 29.882 1.00 20.00 H new ATOM 0 HB1 ALA A 50 0.873 -15.273 31.511 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -0.904 -15.312 31.413 1.00 20.00 H new ATOM 0 HB3 ALA A 50 0.060 -16.577 30.614 1.00 20.00 H new ATOM 923 N GLU A 51 1.406 -15.891 27.997 1.00 20.00 N ATOM 924 CA GLU A 51 2.587 -16.196 27.204 1.00 20.00 C ATOM 925 C GLU A 51 2.761 -15.191 26.074 1.00 20.00 C ATOM 926 O GLU A 51 3.865 -14.979 25.581 1.00 20.00 O ATOM 927 CB GLU A 51 2.497 -17.614 26.644 1.00 20.00 C ATOM 928 CG GLU A 51 2.673 -18.688 27.703 1.00 20.00 C ATOM 929 CD GLU A 51 4.074 -18.705 28.280 1.00 20.00 C ATOM 930 OE1 GLU A 51 4.455 -17.736 28.971 1.00 20.00 O ATOM 931 OE2 GLU A 51 4.806 -19.692 28.046 1.00 20.00 O ATOM 0 H GLU A 51 0.607 -16.497 27.810 1.00 20.00 H new ATOM 0 HA GLU A 51 3.459 -16.128 27.854 1.00 20.00 H new ATOM 0 HB2 GLU A 51 1.529 -17.746 26.160 1.00 20.00 H new ATOM 0 HB3 GLU A 51 3.259 -17.743 25.875 1.00 20.00 H new ATOM 0 HG2 GLU A 51 1.954 -18.524 28.506 1.00 20.00 H new ATOM 0 HG3 GLU A 51 2.450 -19.663 27.269 1.00 20.00 H new ATOM 938 N ARG A 52 1.670 -14.556 25.683 1.00 20.00 N ATOM 939 CA ARG A 52 1.713 -13.561 24.621 1.00 20.00 C ATOM 940 C ARG A 52 2.185 -12.225 25.181 1.00 20.00 C ATOM 941 O ARG A 52 2.642 -11.352 24.444 1.00 20.00 O ATOM 942 CB ARG A 52 0.340 -13.408 23.964 1.00 20.00 C ATOM 943 CG ARG A 52 -0.193 -14.688 23.334 1.00 20.00 C ATOM 944 CD ARG A 52 0.759 -15.238 22.283 1.00 20.00 C ATOM 945 NE ARG A 52 0.237 -16.454 21.664 1.00 20.00 N ATOM 946 CZ ARG A 52 0.963 -17.290 20.920 1.00 20.00 C ATOM 947 NH1 ARG A 52 2.257 -17.066 20.720 1.00 20.00 N ATOM 948 NH2 ARG A 52 0.390 -18.360 20.386 1.00 20.00 N ATOM 0 H ARG A 52 0.744 -14.710 26.083 1.00 20.00 H new ATOM 0 HA ARG A 52 2.417 -13.896 23.859 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -0.372 -13.060 24.712 1.00 20.00 H new ATOM 0 HB3 ARG A 52 0.400 -12.636 23.197 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -0.350 -15.437 24.110 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -1.164 -14.492 22.879 1.00 20.00 H new ATOM 0 HD2 ARG A 52 0.929 -14.483 21.515 1.00 20.00 H new ATOM 0 HD3 ARG A 52 1.725 -15.449 22.742 1.00 20.00 H new ATOM 0 HE ARG A 52 -0.747 -16.679 21.810 1.00 20.00 H new ATOM 0 HH11 ARG A 52 2.704 -16.249 21.137 1.00 20.00 H new ATOM 0 HH12 ARG A 52 2.804 -17.711 20.150 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -0.601 -18.541 20.545 1.00 20.00 H new ATOM 0 HH22 ARG A 52 0.940 -19.002 19.816 1.00 20.00 H new ATOM 962 N PHE A 53 2.086 -12.082 26.498 1.00 20.00 N ATOM 963 CA PHE A 53 2.545 -10.880 27.182 1.00 20.00 C ATOM 964 C PHE A 53 4.068 -10.831 27.241 1.00 20.00 C ATOM 965 O PHE A 53 4.645 -9.815 27.617 1.00 20.00 O ATOM 966 CB PHE A 53 1.982 -10.810 28.602 1.00 20.00 C ATOM 967 CG PHE A 53 0.485 -10.658 28.673 1.00 20.00 C ATOM 968 CD1 PHE A 53 -0.211 -9.963 27.694 1.00 20.00 C ATOM 969 CD2 PHE A 53 -0.227 -11.208 29.729 1.00 20.00 C ATOM 970 CE1 PHE A 53 -1.583 -9.824 27.766 1.00 20.00 C ATOM 971 CE2 PHE A 53 -1.599 -11.070 29.805 1.00 20.00 C ATOM 972 CZ PHE A 53 -2.278 -10.379 28.823 1.00 20.00 C ATOM 0 H PHE A 53 1.689 -12.789 27.116 1.00 20.00 H new ATOM 0 HA PHE A 53 2.184 -10.024 26.612 1.00 20.00 H new ATOM 0 HB2 PHE A 53 2.269 -11.715 29.138 1.00 20.00 H new ATOM 0 HB3 PHE A 53 2.445 -9.971 29.122 1.00 20.00 H new ATOM 0 HD1 PHE A 53 0.327 -9.526 26.866 1.00 20.00 H new ATOM 0 HD2 PHE A 53 0.298 -11.751 30.501 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -2.112 -9.282 26.996 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -2.140 -11.503 30.633 1.00 20.00 H new ATOM 0 HZ PHE A 53 -3.351 -10.272 28.880 1.00 20.00 H new ATOM 982 N ALA A 54 4.709 -11.932 26.858 1.00 20.00 N ATOM 983 CA ALA A 54 6.168 -12.044 26.887 1.00 20.00 C ATOM 984 C ALA A 54 6.843 -10.972 26.033 1.00 20.00 C ATOM 985 O ALA A 54 8.043 -10.728 26.161 1.00 20.00 O ATOM 986 CB ALA A 54 6.596 -13.424 26.420 1.00 20.00 C ATOM 0 H ALA A 54 4.236 -12.770 26.520 1.00 20.00 H new ATOM 0 HA ALA A 54 6.486 -11.892 27.918 1.00 20.00 H new ATOM 0 HB1 ALA A 54 7.683 -13.496 26.446 1.00 20.00 H new ATOM 0 HB2 ALA A 54 6.167 -14.180 27.078 1.00 20.00 H new ATOM 0 HB3 ALA A 54 6.246 -13.588 25.401 1.00 20.00 H new ATOM 992 N LYS A 55 6.062 -10.329 25.171 1.00 20.00 N ATOM 993 CA LYS A 55 6.561 -9.257 24.315 1.00 20.00 C ATOM 994 C LYS A 55 7.031 -8.059 25.143 1.00 20.00 C ATOM 995 O LYS A 55 7.787 -7.215 24.655 1.00 20.00 O ATOM 996 CB LYS A 55 5.468 -8.818 23.339 1.00 20.00 C ATOM 997 CG LYS A 55 4.947 -9.941 22.447 1.00 20.00 C ATOM 998 CD LYS A 55 3.715 -9.524 21.656 1.00 20.00 C ATOM 999 CE LYS A 55 4.054 -8.673 20.435 1.00 20.00 C ATOM 1000 NZ LYS A 55 4.598 -7.333 20.785 1.00 20.00 N ATOM 0 H LYS A 55 5.071 -10.534 25.046 1.00 20.00 H new ATOM 0 HA LYS A 55 7.415 -9.640 23.757 1.00 20.00 H new ATOM 0 HB2 LYS A 55 4.635 -8.401 23.905 1.00 20.00 H new ATOM 0 HB3 LYS A 55 5.857 -8.018 22.709 1.00 20.00 H new ATOM 0 HG2 LYS A 55 5.733 -10.248 21.757 1.00 20.00 H new ATOM 0 HG3 LYS A 55 4.705 -10.808 23.062 1.00 20.00 H new ATOM 0 HD2 LYS A 55 3.177 -10.416 21.333 1.00 20.00 H new ATOM 0 HD3 LYS A 55 3.043 -8.965 22.307 1.00 20.00 H new ATOM 0 HE2 LYS A 55 4.782 -9.204 19.821 1.00 20.00 H new ATOM 0 HE3 LYS A 55 3.157 -8.546 19.828 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 4.271 -6.633 20.089 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 4.266 -7.060 21.732 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 5.637 -7.368 20.779 1.00 20.00 H new ATOM 1014 N MET A 56 6.605 -8.004 26.407 1.00 20.00 N ATOM 1015 CA MET A 56 6.999 -6.924 27.314 1.00 20.00 C ATOM 1016 C MET A 56 8.469 -7.047 27.717 1.00 20.00 C ATOM 1017 O MET A 56 8.955 -6.319 28.581 1.00 20.00 O ATOM 1018 CB MET A 56 6.118 -6.910 28.567 1.00 20.00 C ATOM 1019 CG MET A 56 6.310 -8.120 29.464 1.00 20.00 C ATOM 1020 SD MET A 56 5.305 -8.039 30.955 1.00 20.00 S ATOM 1021 CE MET A 56 5.623 -9.656 31.654 1.00 20.00 C ATOM 0 H MET A 56 5.985 -8.697 26.826 1.00 20.00 H new ATOM 0 HA MET A 56 6.863 -5.985 26.777 1.00 20.00 H new ATOM 0 HB2 MET A 56 6.331 -6.007 29.140 1.00 20.00 H new ATOM 0 HB3 MET A 56 5.072 -6.856 28.264 1.00 20.00 H new ATOM 0 HG2 MET A 56 6.058 -9.024 28.909 1.00 20.00 H new ATOM 0 HG3 MET A 56 7.361 -8.199 29.742 1.00 20.00 H new ATOM 0 HE1 MET A 56 5.070 -9.764 32.587 1.00 20.00 H new ATOM 0 HE2 MET A 56 5.303 -10.425 30.951 1.00 20.00 H new ATOM 0 HE3 MET A 56 6.690 -9.764 31.850 1.00 20.00 H new ATOM 1031 N ARG A 57 9.170 -7.980 27.096 1.00 20.00 N ATOM 1032 CA ARG A 57 10.611 -8.089 27.255 1.00 20.00 C ATOM 1033 C ARG A 57 11.268 -6.797 26.769 1.00 20.00 C ATOM 1034 O ARG A 57 12.320 -6.388 27.263 1.00 20.00 O ATOM 1035 CB ARG A 57 11.117 -9.313 26.475 1.00 20.00 C ATOM 1036 CG ARG A 57 12.615 -9.571 26.572 1.00 20.00 C ATOM 1037 CD ARG A 57 13.384 -8.843 25.478 1.00 20.00 C ATOM 1038 NE ARG A 57 12.921 -9.230 24.146 1.00 20.00 N ATOM 1039 CZ ARG A 57 13.337 -8.667 23.013 1.00 20.00 C ATOM 1040 NH1 ARG A 57 14.229 -7.685 23.043 1.00 20.00 N ATOM 1041 NH2 ARG A 57 12.851 -9.080 21.850 1.00 20.00 N ATOM 0 H ARG A 57 8.762 -8.677 26.473 1.00 20.00 H new ATOM 0 HA ARG A 57 10.872 -8.228 28.304 1.00 20.00 H new ATOM 0 HB2 ARG A 57 10.589 -10.196 26.834 1.00 20.00 H new ATOM 0 HB3 ARG A 57 10.853 -9.189 25.425 1.00 20.00 H new ATOM 0 HG2 ARG A 57 12.977 -9.248 27.548 1.00 20.00 H new ATOM 0 HG3 ARG A 57 12.805 -10.642 26.500 1.00 20.00 H new ATOM 0 HD2 ARG A 57 13.268 -7.767 25.606 1.00 20.00 H new ATOM 0 HD3 ARG A 57 14.447 -9.063 25.572 1.00 20.00 H new ATOM 0 HE ARG A 57 12.234 -9.981 24.080 1.00 20.00 H new ATOM 0 HH11 ARG A 57 14.599 -7.359 23.936 1.00 20.00 H new ATOM 0 HH12 ARG A 57 14.545 -7.256 22.173 1.00 20.00 H new ATOM 0 HH21 ARG A 57 12.159 -9.829 21.823 1.00 20.00 H new ATOM 0 HH22 ARG A 57 13.169 -8.649 20.982 1.00 20.00 H new