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= -0.703 K(o=-0.7,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.015 K(o=-0.015,f=-1.1) USER MOD Single : A 20 SER OG : rot 72:sc= 1.23 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00913 X(o=-0.0091,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -0.0433 (180deg=-0.241) USER MOD Single : A 42 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.0026) USER MOD Single : A 49 MET CE :methyl 161:sc= -0.145 (180deg=-0.668) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0461) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.137 -0.050 2.482 1.00 20.00 N ATOM 365 CA GLU A 16 -31.025 -1.069 1.449 1.00 20.00 C ATOM 366 C GLU A 16 -29.594 -1.589 1.361 1.00 20.00 C ATOM 367 O GLU A 16 -29.366 -2.746 1.019 1.00 20.00 O ATOM 368 CB GLU A 16 -31.475 -0.524 0.089 1.00 20.00 C ATOM 369 CG GLU A 16 -30.578 0.564 -0.481 1.00 20.00 C ATOM 370 CD GLU A 16 -30.956 0.941 -1.896 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.843 1.803 -2.073 1.00 20.00 O ATOM 372 OE2 GLU A 16 -30.366 0.377 -2.840 1.00 20.00 O ATOM 0 HA GLU A 16 -31.681 -1.896 1.721 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.521 -1.349 -0.622 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.487 -0.130 0.186 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.634 1.448 0.155 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -29.543 0.224 -0.463 1.00 20.00 H new ATOM 379 N GLN A 17 -28.636 -0.734 1.702 1.00 20.00 N ATOM 380 CA GLN A 17 -27.228 -1.103 1.642 1.00 20.00 C ATOM 381 C GLN A 17 -26.902 -2.112 2.731 1.00 20.00 C ATOM 382 O GLN A 17 -26.238 -3.119 2.481 1.00 20.00 O ATOM 383 CB GLN A 17 -26.332 0.127 1.791 1.00 20.00 C ATOM 384 CG GLN A 17 -26.573 1.197 0.737 1.00 20.00 C ATOM 385 CD GLN A 17 -25.537 2.304 0.772 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.255 2.933 -0.246 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.946 2.542 1.933 1.00 20.00 N ATOM 0 H GLN A 17 -28.809 0.219 2.023 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.039 -1.552 0.667 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.489 0.561 2.778 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.289 -0.187 1.744 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.570 0.735 -0.250 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.563 1.628 0.884 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.205 2.000 2.758 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.232 3.267 2.003 1.00 20.00 H new ATOM 396 N GLU A 18 -27.391 -1.847 3.937 1.00 20.00 N ATOM 397 CA GLU A 18 -27.161 -2.738 5.063 1.00 20.00 C ATOM 398 C GLU A 18 -27.826 -4.089 4.820 1.00 20.00 C ATOM 399 O GLU A 18 -27.286 -5.133 5.189 1.00 20.00 O ATOM 400 CB GLU A 18 -27.677 -2.112 6.362 1.00 20.00 C ATOM 401 CG GLU A 18 -27.058 -0.758 6.673 1.00 20.00 C ATOM 402 CD GLU A 18 -27.479 -0.219 8.023 1.00 20.00 C ATOM 403 OE1 GLU A 18 -28.623 0.262 8.152 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.660 -0.264 8.967 1.00 20.00 O ATOM 0 H GLU A 18 -27.949 -1.022 4.158 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.087 -2.895 5.162 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.759 -2.001 6.297 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.475 -2.793 7.189 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.972 -0.844 6.644 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.342 -0.047 5.898 1.00 20.00 H new ATOM 411 N ASN A 19 -28.992 -4.071 4.181 1.00 20.00 N ATOM 412 CA ASN A 19 -29.673 -5.310 3.820 1.00 20.00 C ATOM 413 C ASN A 19 -28.890 -6.055 2.747 1.00 20.00 C ATOM 414 O ASN A 19 -28.811 -7.282 2.766 1.00 20.00 O ATOM 415 CB ASN A 19 -31.099 -5.051 3.324 1.00 20.00 C ATOM 416 CG ASN A 19 -32.053 -4.638 4.426 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.862 -4.973 5.595 1.00 20.00 O ATOM 418 ND2 ASN A 19 -33.104 -3.927 4.055 1.00 20.00 N ATOM 0 H ASN A 19 -29.482 -3.220 3.904 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.731 -5.920 4.721 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.075 -4.271 2.563 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.478 -5.953 2.844 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.793 -3.636 4.748 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.226 -3.670 3.076 1.00 20.00 H new ATOM 425 N SER A 20 -28.295 -5.305 1.822 1.00 20.00 N ATOM 426 CA SER A 20 -27.482 -5.895 0.763 1.00 20.00 C ATOM 427 C SER A 20 -26.207 -6.503 1.342 1.00 20.00 C ATOM 428 O SER A 20 -25.587 -7.378 0.737 1.00 20.00 O ATOM 429 CB SER A 20 -27.131 -4.843 -0.293 1.00 20.00 C ATOM 430 OG SER A 20 -28.304 -4.288 -0.868 1.00 20.00 O ATOM 0 H SER A 20 -28.361 -4.288 1.785 1.00 20.00 H new ATOM 0 HA SER A 20 -28.062 -6.687 0.289 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.535 -4.052 0.161 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.519 -5.296 -1.073 1.00 20.00 H new ATOM 0 HG SER A 20 -28.745 -3.706 -0.214 1.00 20.00 H new ATOM 436 N TYR A 21 -25.825 -6.034 2.518 1.00 20.00 N ATOM 437 CA TYR A 21 -24.658 -6.557 3.205 1.00 20.00 C ATOM 438 C TYR A 21 -25.045 -7.786 4.023 1.00 20.00 C ATOM 439 O TYR A 21 -24.333 -8.788 4.032 1.00 20.00 O ATOM 440 CB TYR A 21 -24.059 -5.474 4.108 1.00 20.00 C ATOM 441 CG TYR A 21 -22.688 -5.808 4.654 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.547 -5.572 3.897 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.533 -6.345 5.927 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.291 -5.865 4.392 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.279 -6.636 6.428 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.162 -6.395 5.656 1.00 20.00 C ATOM 447 OH TYR A 21 -18.909 -6.674 6.155 1.00 20.00 O ATOM 0 H TYR A 21 -26.309 -5.288 3.018 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.908 -6.852 2.471 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.996 -4.542 3.546 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.737 -5.298 4.943 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.644 -5.153 2.906 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.406 -6.537 6.533 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.414 -5.679 3.790 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.174 -7.050 7.420 1.00 20.00 H new ATOM 0 HH TYR A 21 -18.992 -7.042 7.060 1.00 20.00 H new ATOM 457 N ASN A 22 -26.193 -7.707 4.687 1.00 20.00 N ATOM 458 CA ASN A 22 -26.678 -8.802 5.525 1.00 20.00 C ATOM 459 C ASN A 22 -27.034 -10.026 4.683 1.00 20.00 C ATOM 460 O ASN A 22 -26.793 -11.159 5.093 1.00 20.00 O ATOM 461 CB ASN A 22 -27.890 -8.358 6.352 1.00 20.00 C ATOM 462 CG ASN A 22 -28.464 -9.482 7.202 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.007 -9.726 8.318 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.484 -10.158 6.693 1.00 20.00 N ATOM 0 H ASN A 22 -26.808 -6.894 4.662 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.873 -9.078 6.206 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.600 -7.530 6.999 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.664 -7.983 5.682 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.917 -10.909 7.230 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.836 -9.927 5.764 1.00 20.00 H new ATOM 471 N GLU A 23 -27.598 -9.795 3.500 1.00 20.00 N ATOM 472 CA GLU A 23 -27.958 -10.894 2.611 1.00 20.00 C ATOM 473 C GLU A 23 -26.707 -11.649 2.170 1.00 20.00 C ATOM 474 O GLU A 23 -26.731 -12.868 2.001 1.00 20.00 O ATOM 475 CB GLU A 23 -28.737 -10.394 1.390 1.00 20.00 C ATOM 476 CG GLU A 23 -27.944 -9.473 0.480 1.00 20.00 C ATOM 477 CD GLU A 23 -28.692 -9.125 -0.785 1.00 20.00 C ATOM 478 OE1 GLU A 23 -28.593 -9.893 -1.765 1.00 20.00 O ATOM 479 OE2 GLU A 23 -29.378 -8.083 -0.815 1.00 20.00 O ATOM 0 H GLU A 23 -27.814 -8.866 3.138 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.606 -11.574 3.164 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.076 -11.254 0.812 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.629 -9.869 1.732 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -27.701 -8.557 1.018 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -26.999 -9.950 0.220 1.00 20.00 H new ATOM 486 N TRP A 24 -25.614 -10.916 2.004 1.00 20.00 N ATOM 487 CA TRP A 24 -24.335 -11.514 1.660 1.00 20.00 C ATOM 488 C TRP A 24 -23.821 -12.353 2.826 1.00 20.00 C ATOM 489 O TRP A 24 -23.309 -13.454 2.635 1.00 20.00 O ATOM 490 CB TRP A 24 -23.322 -10.428 1.280 1.00 20.00 C ATOM 491 CG TRP A 24 -21.925 -10.941 1.124 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.468 -11.802 0.170 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.801 -10.618 1.948 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.129 -12.045 0.359 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.697 -11.327 1.443 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.622 -9.800 3.066 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.433 -11.243 2.017 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.366 -9.716 3.635 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.287 -10.435 3.110 1.00 20.00 C ATOM 0 H TRP A 24 -25.590 -9.901 2.103 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.470 -12.167 0.798 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.635 -9.961 0.346 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.332 -9.650 2.044 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -22.070 -12.230 -0.618 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.551 -12.660 -0.214 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.451 -9.243 3.478 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.597 -11.796 1.614 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.215 -9.085 4.499 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.318 -10.350 3.578 1.00 20.00 H new ATOM 510 N LEU A 25 -23.995 -11.841 4.037 1.00 20.00 N ATOM 511 CA LEU A 25 -23.595 -12.561 5.238 1.00 20.00 C ATOM 512 C LEU A 25 -24.436 -13.824 5.407 1.00 20.00 C ATOM 513 O LEU A 25 -23.972 -14.835 5.937 1.00 20.00 O ATOM 514 CB LEU A 25 -23.753 -11.667 6.469 1.00 20.00 C ATOM 515 CG LEU A 25 -22.904 -10.392 6.480 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.196 -9.574 7.729 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.424 -10.733 6.404 1.00 20.00 C ATOM 0 H LEU A 25 -24.412 -10.927 4.214 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.548 -12.845 5.136 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.802 -11.383 6.557 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.506 -12.253 7.354 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.164 -9.797 5.604 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.586 -8.671 7.723 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.251 -9.299 7.746 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -22.961 -10.165 8.614 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.838 -9.814 6.413 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.148 -11.348 7.261 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.224 -11.282 5.484 1.00 20.00 H new ATOM 529 N ARG A 26 -25.674 -13.752 4.947 1.00 20.00 N ATOM 530 CA ARG A 26 -26.590 -14.878 5.020 1.00 20.00 C ATOM 531 C ARG A 26 -26.257 -15.916 3.947 1.00 20.00 C ATOM 532 O ARG A 26 -26.473 -17.115 4.138 1.00 20.00 O ATOM 533 CB ARG A 26 -28.030 -14.378 4.863 1.00 20.00 C ATOM 534 CG ARG A 26 -29.088 -15.465 4.985 1.00 20.00 C ATOM 535 CD ARG A 26 -30.491 -14.878 4.965 1.00 20.00 C ATOM 536 NE ARG A 26 -30.760 -14.138 3.733 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.400 -12.967 3.681 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.789 -12.361 4.799 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.634 -12.396 2.507 1.00 20.00 N ATOM 0 H ARG A 26 -26.070 -12.917 4.515 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.486 -15.359 5.993 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.221 -13.615 5.617 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.131 -13.897 3.890 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.978 -16.176 4.166 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.937 -16.020 5.911 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -31.221 -15.680 5.072 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.618 -14.215 5.821 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.437 -14.543 2.854 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.599 -12.790 5.704 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.277 -11.467 4.751 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.325 -12.851 1.648 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.123 -11.502 2.463 1.00 20.00 H new ATOM 553 N ALA A 27 -25.710 -15.450 2.834 1.00 20.00 N ATOM 554 CA ALA A 27 -25.387 -16.324 1.714 1.00 20.00 C ATOM 555 C ALA A 27 -24.003 -16.944 1.868 1.00 20.00 C ATOM 556 O ALA A 27 -23.760 -18.062 1.412 1.00 20.00 O ATOM 557 CB ALA A 27 -25.473 -15.554 0.406 1.00 20.00 C ATOM 0 H ALA A 27 -25.480 -14.468 2.681 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.116 -17.134 1.703 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.229 -16.218 -0.424 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.484 -15.168 0.277 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.767 -14.724 0.426 1.00 20.00 H new ATOM 563 N LYS A 28 -23.097 -16.213 2.497 1.00 20.00 N ATOM 564 CA LYS A 28 -21.733 -16.685 2.677 1.00 20.00 C ATOM 565 C LYS A 28 -21.691 -17.849 3.671 1.00 20.00 C ATOM 566 O LYS A 28 -21.443 -18.993 3.284 1.00 20.00 O ATOM 567 CB LYS A 28 -20.823 -15.536 3.128 1.00 20.00 C ATOM 568 CG LYS A 28 -19.374 -15.944 3.345 1.00 20.00 C ATOM 569 CD LYS A 28 -18.517 -14.753 3.741 1.00 20.00 C ATOM 570 CE LYS A 28 -17.072 -15.161 4.001 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.451 -15.803 2.811 1.00 20.00 N ATOM 0 H LYS A 28 -23.281 -15.291 2.892 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.363 -17.051 1.720 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.859 -14.743 2.381 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.215 -15.118 4.055 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.321 -16.707 4.122 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.979 -16.391 2.432 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.547 -14.004 2.950 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.931 -14.288 4.636 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -16.492 -14.282 4.283 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.036 -15.850 4.845 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.426 -15.895 2.962 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.866 -16.746 2.669 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -16.626 -15.217 1.970 1.00 20.00 H new ATOM 585 N VAL A 29 -21.945 -17.572 4.943 1.00 20.00 N ATOM 586 CA VAL A 29 -21.982 -18.628 5.944 1.00 20.00 C ATOM 587 C VAL A 29 -23.422 -19.028 6.253 1.00 20.00 C ATOM 588 O VAL A 29 -23.860 -20.123 5.897 1.00 20.00 O ATOM 589 CB VAL A 29 -21.267 -18.220 7.248 1.00 20.00 C ATOM 590 CG1 VAL A 29 -21.340 -19.342 8.274 1.00 20.00 C ATOM 591 CG2 VAL A 29 -19.818 -17.852 6.969 1.00 20.00 C ATOM 0 H VAL A 29 -22.127 -16.635 5.303 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.450 -19.481 5.522 1.00 20.00 H new ATOM 0 HB VAL A 29 -21.775 -17.346 7.656 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -20.830 -19.034 9.187 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -22.384 -19.562 8.498 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -20.859 -20.234 7.873 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -19.329 -17.567 7.901 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -19.302 -18.709 6.536 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -19.783 -17.016 6.270 1.00 20.00 H new ATOM 772 N HIS A 42 -36.779 -10.617 17.855 1.00 20.00 N ATOM 773 CA HIS A 42 -37.249 -9.674 16.843 1.00 20.00 C ATOM 774 C HIS A 42 -38.597 -10.119 16.284 1.00 20.00 C ATOM 775 O HIS A 42 -39.373 -9.306 15.789 1.00 20.00 O ATOM 776 CB HIS A 42 -36.217 -9.501 15.705 1.00 20.00 C ATOM 777 CG HIS A 42 -35.908 -10.750 14.922 1.00 20.00 C ATOM 778 ND1 HIS A 42 -34.698 -11.405 14.994 1.00 20.00 N ATOM 779 CD2 HIS A 42 -36.652 -11.447 14.028 1.00 20.00 C ATOM 780 CE1 HIS A 42 -34.714 -12.449 14.187 1.00 20.00 C ATOM 781 NE2 HIS A 42 -35.887 -12.497 13.587 1.00 20.00 N ATOM 0 HA HIS A 42 -37.373 -8.704 17.325 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -36.585 -8.741 15.015 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -35.289 -9.121 16.133 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -37.661 -11.218 13.720 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -33.903 -13.147 14.042 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -36.178 -13.199 12.907 1.00 20.00 H new ATOM 790 N ASP A 43 -38.869 -11.416 16.381 1.00 20.00 N ATOM 791 CA ASP A 43 -40.132 -11.972 15.909 1.00 20.00 C ATOM 792 C ASP A 43 -41.276 -11.534 16.814 1.00 20.00 C ATOM 793 O ASP A 43 -42.392 -11.290 16.352 1.00 20.00 O ATOM 794 CB ASP A 43 -40.062 -13.499 15.850 1.00 20.00 C ATOM 795 CG ASP A 43 -41.377 -14.123 15.435 1.00 20.00 C ATOM 796 OD1 ASP A 43 -41.683 -14.130 14.223 1.00 20.00 O ATOM 797 OD2 ASP A 43 -42.110 -14.621 16.315 1.00 20.00 O ATOM 0 H ASP A 43 -38.231 -12.103 16.783 1.00 20.00 H new ATOM 0 HA ASP A 43 -40.316 -11.595 14.903 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -39.284 -13.797 15.147 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -39.773 -13.884 16.828 1.00 20.00 H new ATOM 802 N GLU A 44 -40.978 -11.422 18.104 1.00 20.00 N ATOM 803 CA GLU A 44 -41.956 -10.984 19.092 1.00 20.00 C ATOM 804 C GLU A 44 -42.328 -9.528 18.843 1.00 20.00 C ATOM 805 O GLU A 44 -43.505 -9.167 18.817 1.00 20.00 O ATOM 806 CB GLU A 44 -41.381 -11.149 20.504 1.00 20.00 C ATOM 807 CG GLU A 44 -42.317 -10.706 21.618 1.00 20.00 C ATOM 808 CD GLU A 44 -43.544 -11.585 21.740 1.00 20.00 C ATOM 809 OE1 GLU A 44 -43.408 -12.734 22.207 1.00 20.00 O ATOM 810 OE2 GLU A 44 -44.648 -11.134 21.374 1.00 20.00 O ATOM 0 H GLU A 44 -40.058 -11.631 18.492 1.00 20.00 H new ATOM 0 HA GLU A 44 -42.853 -11.597 19.003 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -41.123 -12.197 20.658 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -40.455 -10.578 20.575 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -41.776 -10.712 22.564 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -42.629 -9.678 21.436 1.00 20.00 H new ATOM 817 N VAL A 45 -41.308 -8.706 18.635 1.00 20.00 N ATOM 818 CA VAL A 45 -41.506 -7.289 18.391 1.00 20.00 C ATOM 819 C VAL A 45 -42.287 -7.069 17.106 1.00 20.00 C ATOM 820 O VAL A 45 -43.272 -6.340 17.091 1.00 20.00 O ATOM 821 CB VAL A 45 -40.166 -6.534 18.302 1.00 20.00 C ATOM 822 CG1 VAL A 45 -40.402 -5.047 18.084 1.00 20.00 C ATOM 823 CG2 VAL A 45 -39.337 -6.771 19.552 1.00 20.00 C ATOM 0 H VAL A 45 -40.332 -9.001 18.631 1.00 20.00 H new ATOM 0 HA VAL A 45 -42.072 -6.897 19.236 1.00 20.00 H new ATOM 0 HB VAL A 45 -39.610 -6.918 17.447 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -39.444 -4.531 18.024 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -40.953 -4.898 17.155 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -40.979 -4.644 18.916 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -38.394 -6.230 19.471 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -39.885 -6.416 20.425 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -39.136 -7.837 19.658 1.00 20.00 H new ATOM 833 N GLU A 46 -41.856 -7.728 16.038 1.00 20.00 N ATOM 834 CA GLU A 46 -42.475 -7.557 14.728 1.00 20.00 C ATOM 835 C GLU A 46 -43.936 -8.001 14.754 1.00 20.00 C ATOM 836 O GLU A 46 -44.792 -7.403 14.097 1.00 20.00 O ATOM 837 CB GLU A 46 -41.712 -8.349 13.668 1.00 20.00 C ATOM 838 CG GLU A 46 -42.046 -7.931 12.249 1.00 20.00 C ATOM 839 CD GLU A 46 -41.534 -6.543 11.918 1.00 20.00 C ATOM 840 OE1 GLU A 46 -42.171 -5.551 12.326 1.00 20.00 O ATOM 841 OE2 GLU A 46 -40.482 -6.439 11.252 1.00 20.00 O ATOM 0 H GLU A 46 -41.078 -8.388 16.053 1.00 20.00 H new ATOM 0 HA GLU A 46 -42.437 -6.497 14.475 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -40.642 -8.226 13.833 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -41.933 -9.410 13.788 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -41.616 -8.650 11.551 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -43.127 -7.959 12.110 1.00 20.00 H new ATOM 848 N ARG A 47 -44.212 -9.047 15.524 1.00 20.00 N ATOM 849 CA ARG A 47 -45.568 -9.560 15.665 1.00 20.00 C ATOM 850 C ARG A 47 -46.466 -8.503 16.292 1.00 20.00 C ATOM 851 O ARG A 47 -47.549 -8.205 15.784 1.00 20.00 O ATOM 852 CB ARG A 47 -45.568 -10.823 16.527 1.00 20.00 C ATOM 853 CG ARG A 47 -46.912 -11.542 16.592 1.00 20.00 C ATOM 854 CD ARG A 47 -47.309 -12.139 15.246 1.00 20.00 C ATOM 855 NE ARG A 47 -47.826 -11.135 14.312 1.00 20.00 N ATOM 856 CZ ARG A 47 -47.279 -10.851 13.127 1.00 20.00 C ATOM 857 NH1 ARG A 47 -46.145 -11.429 12.750 1.00 20.00 N ATOM 858 NH2 ARG A 47 -47.867 -9.974 12.328 1.00 20.00 N ATOM 0 H ARG A 47 -43.512 -9.557 16.062 1.00 20.00 H new ATOM 0 HA ARG A 47 -45.952 -9.808 14.676 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -44.819 -11.513 16.139 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -45.263 -10.557 17.539 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -46.863 -12.334 17.339 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -47.681 -10.843 16.919 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -46.444 -12.631 14.802 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -48.066 -12.907 15.403 1.00 20.00 H new ATOM 0 HE ARG A 47 -48.661 -10.617 14.586 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -45.683 -12.097 13.367 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -45.735 -11.205 11.843 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -48.733 -9.520 12.619 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -47.454 -9.753 11.422 1.00 20.00 H new ATOM 872 N ARG A 48 -45.996 -7.922 17.386 1.00 20.00 N ATOM 873 CA ARG A 48 -46.752 -6.900 18.092 1.00 20.00 C ATOM 874 C ARG A 48 -46.738 -5.590 17.316 1.00 20.00 C ATOM 875 O ARG A 48 -47.660 -4.784 17.427 1.00 20.00 O ATOM 876 CB ARG A 48 -46.181 -6.686 19.498 1.00 20.00 C ATOM 877 CG ARG A 48 -46.160 -7.950 20.347 1.00 20.00 C ATOM 878 CD ARG A 48 -45.648 -7.676 21.751 1.00 20.00 C ATOM 879 NE ARG A 48 -45.613 -8.893 22.561 1.00 20.00 N ATOM 880 CZ ARG A 48 -45.879 -8.931 23.866 1.00 20.00 C ATOM 881 NH1 ARG A 48 -46.184 -7.817 24.520 1.00 20.00 N ATOM 882 NH2 ARG A 48 -45.841 -10.086 24.518 1.00 20.00 N ATOM 0 H ARG A 48 -45.092 -8.142 17.804 1.00 20.00 H new ATOM 0 HA ARG A 48 -47.784 -7.240 18.181 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -45.166 -6.298 19.414 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -46.771 -5.925 20.009 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -47.165 -8.368 20.401 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -45.528 -8.699 19.869 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -44.648 -7.246 21.696 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -46.287 -6.936 22.233 1.00 20.00 H new ATOM 0 HE ARG A 48 -45.369 -9.768 22.098 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -46.216 -6.927 24.024 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -46.387 -7.851 25.519 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -45.608 -10.945 24.020 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -46.045 -10.115 25.517 1.00 20.00 H new ATOM 896 N MET A 49 -45.693 -5.398 16.520 1.00 20.00 N ATOM 897 CA MET A 49 -45.527 -4.190 15.720 1.00 20.00 C ATOM 898 C MET A 49 -46.627 -4.073 14.672 1.00 20.00 C ATOM 899 O MET A 49 -47.100 -2.976 14.377 1.00 20.00 O ATOM 900 CB MET A 49 -44.157 -4.194 15.043 1.00 20.00 C ATOM 901 CG MET A 49 -43.821 -2.895 14.332 1.00 20.00 C ATOM 902 SD MET A 49 -43.716 -1.486 15.456 1.00 20.00 S ATOM 903 CE MET A 49 -42.376 -1.999 16.530 1.00 20.00 C ATOM 0 H MET A 49 -44.937 -6.074 16.411 1.00 20.00 H new ATOM 0 HA MET A 49 -45.596 -3.329 16.385 1.00 20.00 H new ATOM 0 HB2 MET A 49 -43.392 -4.395 15.793 1.00 20.00 H new ATOM 0 HB3 MET A 49 -44.120 -5.011 14.323 1.00 20.00 H new ATOM 0 HG2 MET A 49 -42.871 -3.008 13.809 1.00 20.00 H new ATOM 0 HG3 MET A 49 -44.579 -2.694 13.575 1.00 20.00 H new ATOM 0 HE1 MET A 49 -41.969 -1.129 17.045 1.00 20.00 H new ATOM 0 HE2 MET A 49 -42.751 -2.713 17.264 1.00 20.00 H new ATOM 0 HE3 MET A 49 -41.592 -2.468 15.935 1.00 20.00 H new ATOM 913 N ALA A 50 -47.044 -5.209 14.129 1.00 20.00 N ATOM 914 CA ALA A 50 -48.110 -5.233 13.138 1.00 20.00 C ATOM 915 C ALA A 50 -49.400 -4.675 13.723 1.00 20.00 C ATOM 916 O ALA A 50 -50.145 -3.960 13.052 1.00 20.00 O ATOM 917 CB ALA A 50 -48.323 -6.647 12.629 1.00 20.00 C ATOM 0 H ALA A 50 -46.660 -6.126 14.358 1.00 20.00 H new ATOM 0 HA ALA A 50 -47.816 -4.602 12.299 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -49.123 -6.651 11.889 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -47.403 -7.011 12.171 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -48.596 -7.296 13.461 1.00 20.00 H new ATOM 923 N GLU A 51 -49.646 -4.991 14.985 1.00 20.00 N ATOM 924 CA GLU A 51 -50.822 -4.492 15.682 1.00 20.00 C ATOM 925 C GLU A 51 -50.542 -3.115 16.272 1.00 20.00 C ATOM 926 O GLU A 51 -51.459 -2.334 16.532 1.00 20.00 O ATOM 927 CB GLU A 51 -51.243 -5.465 16.782 1.00 20.00 C ATOM 928 CG GLU A 51 -51.595 -6.850 16.263 1.00 20.00 C ATOM 929 CD GLU A 51 -52.199 -7.736 17.329 1.00 20.00 C ATOM 930 OE1 GLU A 51 -53.359 -7.495 17.717 1.00 20.00 O ATOM 931 OE2 GLU A 51 -51.522 -8.684 17.781 1.00 20.00 O ATOM 0 H GLU A 51 -49.045 -5.592 15.549 1.00 20.00 H new ATOM 0 HA GLU A 51 -51.639 -4.405 14.966 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -50.435 -5.552 17.508 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -52.103 -5.054 17.310 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -52.297 -6.756 15.434 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -50.697 -7.325 15.868 1.00 20.00 H new ATOM 938 N ARG A 52 -49.263 -2.824 16.468 1.00 20.00 N ATOM 939 CA ARG A 52 -48.829 -1.530 16.971 1.00 20.00 C ATOM 940 C ARG A 52 -49.176 -0.438 15.970 1.00 20.00 C ATOM 941 O ARG A 52 -49.499 0.682 16.355 1.00 20.00 O ATOM 942 CB ARG A 52 -47.321 -1.537 17.239 1.00 20.00 C ATOM 943 CG ARG A 52 -46.773 -0.199 17.709 1.00 20.00 C ATOM 944 CD ARG A 52 -47.381 0.215 19.036 1.00 20.00 C ATOM 945 NE ARG A 52 -47.036 1.587 19.391 1.00 20.00 N ATOM 946 CZ ARG A 52 -47.413 2.177 20.521 1.00 20.00 C ATOM 947 NH1 ARG A 52 -48.115 1.499 21.422 1.00 20.00 N ATOM 948 NH2 ARG A 52 -47.082 3.441 20.752 1.00 20.00 N ATOM 0 H ARG A 52 -48.501 -3.476 16.283 1.00 20.00 H new ATOM 0 HA ARG A 52 -49.347 -1.330 17.909 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -47.099 -2.294 17.991 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -46.801 -1.832 16.327 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -45.689 -0.263 17.808 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -46.980 0.564 16.959 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -48.465 0.116 18.985 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -47.036 -0.460 19.819 1.00 20.00 H new ATOM 0 HE ARG A 52 -46.472 2.126 18.733 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -48.365 0.526 21.247 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -48.404 1.952 22.289 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -46.538 3.960 20.062 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -47.371 3.894 21.619 1.00 20.00 H new ATOM 962 N PHE A 53 -49.119 -0.777 14.689 1.00 20.00 N ATOM 963 CA PHE A 53 -49.479 0.156 13.630 1.00 20.00 C ATOM 964 C PHE A 53 -50.904 0.672 13.837 1.00 20.00 C ATOM 965 O PHE A 53 -51.184 1.855 13.644 1.00 20.00 O ATOM 966 CB PHE A 53 -49.349 -0.521 12.262 1.00 20.00 C ATOM 967 CG PHE A 53 -49.693 0.380 11.108 1.00 20.00 C ATOM 968 CD1 PHE A 53 -48.811 1.368 10.693 1.00 20.00 C ATOM 969 CD2 PHE A 53 -50.902 0.244 10.443 1.00 20.00 C ATOM 970 CE1 PHE A 53 -49.130 2.200 9.638 1.00 20.00 C ATOM 971 CE2 PHE A 53 -51.225 1.074 9.387 1.00 20.00 C ATOM 972 CZ PHE A 53 -50.339 2.053 8.984 1.00 20.00 C ATOM 0 H PHE A 53 -48.825 -1.696 14.357 1.00 20.00 H new ATOM 0 HA PHE A 53 -48.796 1.005 13.665 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -48.327 -0.880 12.139 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -49.999 -1.395 12.236 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -47.865 1.487 11.201 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -51.599 -0.520 10.754 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -48.435 2.965 9.324 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -52.170 0.957 8.877 1.00 20.00 H new ATOM 0 HZ PHE A 53 -50.590 2.703 8.159 1.00 20.00 H new ATOM 982 N ALA A 54 -51.791 -0.221 14.256 1.00 20.00 N ATOM 983 CA ALA A 54 -53.181 0.132 14.496 1.00 20.00 C ATOM 984 C ALA A 54 -53.339 0.875 15.819 1.00 20.00 C ATOM 985 O ALA A 54 -54.213 1.725 15.968 1.00 20.00 O ATOM 986 CB ALA A 54 -54.047 -1.119 14.482 1.00 20.00 C ATOM 0 H ALA A 54 -51.569 -1.200 14.437 1.00 20.00 H new ATOM 0 HA ALA A 54 -53.507 0.798 13.697 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -55.086 -0.844 14.663 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -53.964 -1.608 13.511 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -53.712 -1.802 15.262 1.00 20.00 H new ATOM 992 N LYS A 55 -52.476 0.558 16.774 1.00 20.00 N ATOM 993 CA LYS A 55 -52.537 1.170 18.096 1.00 20.00 C ATOM 994 C LYS A 55 -51.935 2.575 18.070 1.00 20.00 C ATOM 995 O LYS A 55 -52.319 3.447 18.849 1.00 20.00 O ATOM 996 CB LYS A 55 -51.802 0.294 19.115 1.00 20.00 C ATOM 997 CG LYS A 55 -52.003 0.720 20.563 1.00 20.00 C ATOM 998 CD LYS A 55 -53.465 0.655 20.966 1.00 20.00 C ATOM 999 CE LYS A 55 -53.649 0.881 22.460 1.00 20.00 C ATOM 1000 NZ LYS A 55 -53.157 2.215 22.895 1.00 20.00 N ATOM 0 H LYS A 55 -51.723 -0.121 16.659 1.00 20.00 H new ATOM 0 HA LYS A 55 -53.583 1.253 18.391 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -52.138 -0.737 19.001 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -50.736 0.309 18.888 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -51.416 0.076 21.217 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -51.632 1.736 20.699 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -54.029 1.406 20.412 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -53.875 -0.317 20.692 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -54.705 0.786 22.712 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -53.119 0.104 23.011 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -53.350 2.342 23.909 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -52.133 2.279 22.727 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -53.644 2.958 22.354 1.00 20.00 H new ATOM 1014 N MET A 56 -50.998 2.787 17.158 1.00 20.00 N ATOM 1015 CA MET A 56 -50.333 4.077 17.020 1.00 20.00 C ATOM 1016 C MET A 56 -51.095 4.967 16.036 1.00 20.00 C ATOM 1017 O MET A 56 -50.621 6.032 15.636 1.00 20.00 O ATOM 1018 CB MET A 56 -48.885 3.867 16.558 1.00 20.00 C ATOM 1019 CG MET A 56 -48.024 5.122 16.618 1.00 20.00 C ATOM 1020 SD MET A 56 -47.924 5.819 18.278 1.00 20.00 S ATOM 1021 CE MET A 56 -46.843 7.215 17.979 1.00 20.00 C ATOM 0 H MET A 56 -50.678 2.078 16.498 1.00 20.00 H new ATOM 0 HA MET A 56 -50.321 4.578 17.988 1.00 20.00 H new ATOM 0 HB2 MET A 56 -48.426 3.095 17.176 1.00 20.00 H new ATOM 0 HB3 MET A 56 -48.892 3.493 15.534 1.00 20.00 H new ATOM 0 HG2 MET A 56 -47.020 4.886 16.267 1.00 20.00 H new ATOM 0 HG3 MET A 56 -48.432 5.870 15.938 1.00 20.00 H new ATOM 0 HE1 MET A 56 -46.680 7.755 18.912 1.00 20.00 H new ATOM 0 HE2 MET A 56 -45.888 6.859 17.593 1.00 20.00 H new ATOM 0 HE3 MET A 56 -47.303 7.882 17.250 1.00 20.00 H new ATOM 1031 N ARG A 57 -52.287 4.521 15.659 1.00 20.00 N ATOM 1032 CA ARG A 57 -53.136 5.268 14.740 1.00 20.00 C ATOM 1033 C ARG A 57 -53.480 6.632 15.328 1.00 20.00 C ATOM 1034 O ARG A 57 -53.395 7.653 14.646 1.00 20.00 O ATOM 1035 CB ARG A 57 -54.412 4.482 14.439 1.00 20.00 C ATOM 1036 CG ARG A 57 -55.280 5.115 13.367 1.00 20.00 C ATOM 1037 CD ARG A 57 -56.502 4.262 13.073 1.00 20.00 C ATOM 1038 NE ARG A 57 -57.273 4.782 11.949 1.00 20.00 N ATOM 1039 CZ ARG A 57 -58.257 4.116 11.350 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -58.638 2.926 11.807 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -58.869 4.647 10.303 1.00 20.00 N ATOM 0 H ARG A 57 -52.689 3.640 15.978 1.00 20.00 H new ATOM 0 HA ARG A 57 -52.592 5.418 13.807 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -54.142 3.473 14.126 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -54.994 4.386 15.356 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -55.595 6.107 13.690 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -54.698 5.247 12.455 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -56.188 3.241 12.856 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -57.136 4.219 13.959 1.00 20.00 H new ATOM 0 HE ARG A 57 -57.044 5.713 11.601 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -58.175 2.520 12.620 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -59.393 2.420 11.344 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -58.586 5.564 9.958 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -59.624 4.139 9.842 1.00 20.00 H new