USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=4 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= -1.67! C(o=-1.7!,f=-7.7!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 59:sc= 1.21 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.918 K(o=-0.92,f=-0.0018) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 49 MET CE :methyl 144:sc= -0.125 (180deg=-0.599) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -162:sc= -0.16 (180deg=-0.663) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.313 -0.276 2.662 1.00 20.00 N ATOM 365 CA GLU A 16 -30.899 -0.758 1.350 1.00 20.00 C ATOM 366 C GLU A 16 -29.483 -1.324 1.384 1.00 20.00 C ATOM 367 O GLU A 16 -29.266 -2.498 1.087 1.00 20.00 O ATOM 368 CB GLU A 16 -30.981 0.373 0.322 1.00 20.00 C ATOM 369 CG GLU A 16 -32.396 0.864 0.061 1.00 20.00 C ATOM 370 CD GLU A 16 -33.279 -0.210 -0.534 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.987 -0.662 -1.661 1.00 20.00 O ATOM 372 OE2 GLU A 16 -34.264 -0.610 0.119 1.00 20.00 O ATOM 0 HA GLU A 16 -31.578 -1.561 1.062 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.374 1.210 0.667 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.546 0.030 -0.617 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.834 1.214 0.996 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.362 1.718 -0.615 1.00 20.00 H new ATOM 379 N GLN A 17 -28.529 -0.494 1.775 1.00 20.00 N ATOM 380 CA GLN A 17 -27.130 -0.891 1.779 1.00 20.00 C ATOM 381 C GLN A 17 -26.866 -1.943 2.853 1.00 20.00 C ATOM 382 O GLN A 17 -26.136 -2.906 2.626 1.00 20.00 O ATOM 383 CB GLN A 17 -26.205 0.328 1.975 1.00 20.00 C ATOM 384 CG GLN A 17 -26.293 0.994 3.347 1.00 20.00 C ATOM 385 CD GLN A 17 -27.636 1.643 3.623 1.00 20.00 C ATOM 386 OE1 GLN A 17 -28.546 1.006 4.158 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.770 2.910 3.271 1.00 20.00 N ATOM 0 H GLN A 17 -28.698 0.460 2.094 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.907 -1.330 0.807 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.175 0.014 1.806 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.441 1.070 1.212 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.094 0.248 4.117 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.511 1.749 3.426 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.993 3.402 2.831 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -28.651 3.396 3.440 1.00 20.00 H new ATOM 396 N GLU A 18 -27.499 -1.783 4.008 1.00 20.00 N ATOM 397 CA GLU A 18 -27.256 -2.671 5.134 1.00 20.00 C ATOM 398 C GLU A 18 -27.832 -4.058 4.874 1.00 20.00 C ATOM 399 O GLU A 18 -27.202 -5.068 5.185 1.00 20.00 O ATOM 400 CB GLU A 18 -27.834 -2.079 6.426 1.00 20.00 C ATOM 401 CG GLU A 18 -27.179 -0.770 6.847 1.00 20.00 C ATOM 402 CD GLU A 18 -27.716 -0.241 8.159 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.322 -0.764 9.222 1.00 20.00 O ATOM 404 OE2 GLU A 18 -28.525 0.709 8.136 1.00 20.00 O ATOM 0 H GLU A 18 -28.183 -1.048 4.188 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.177 -2.772 5.254 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.903 -1.914 6.293 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.722 -2.806 7.230 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.103 -0.919 6.934 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.336 -0.024 6.068 1.00 20.00 H new ATOM 411 N ASN A 19 -29.015 -4.114 4.279 1.00 20.00 N ATOM 412 CA ASN A 19 -29.651 -5.393 3.980 1.00 20.00 C ATOM 413 C ASN A 19 -28.905 -6.106 2.857 1.00 20.00 C ATOM 414 O ASN A 19 -28.882 -7.335 2.803 1.00 20.00 O ATOM 415 CB ASN A 19 -31.129 -5.197 3.615 1.00 20.00 C ATOM 416 CG ASN A 19 -31.860 -6.507 3.372 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.997 -6.955 2.234 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.328 -7.135 4.440 1.00 20.00 N ATOM 0 H ASN A 19 -29.553 -3.295 3.994 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.607 -6.016 4.873 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.627 -4.653 4.418 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.198 -4.578 2.721 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.821 -8.021 4.335 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.195 -6.732 5.368 1.00 20.00 H new ATOM 425 N SER A 20 -28.262 -5.333 1.985 1.00 20.00 N ATOM 426 CA SER A 20 -27.479 -5.903 0.892 1.00 20.00 C ATOM 427 C SER A 20 -26.287 -6.688 1.437 1.00 20.00 C ATOM 428 O SER A 20 -25.952 -7.761 0.935 1.00 20.00 O ATOM 429 CB SER A 20 -27.003 -4.801 -0.061 1.00 20.00 C ATOM 430 OG SER A 20 -28.104 -4.103 -0.620 1.00 20.00 O ATOM 0 H SER A 20 -28.268 -4.313 2.014 1.00 20.00 H new ATOM 0 HA SER A 20 -28.118 -6.589 0.335 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.360 -4.103 0.476 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.402 -5.239 -0.858 1.00 20.00 H new ATOM 0 HG SER A 20 -28.642 -3.712 0.099 1.00 20.00 H new ATOM 436 N TYR A 21 -25.661 -6.161 2.479 1.00 20.00 N ATOM 437 CA TYR A 21 -24.553 -6.849 3.126 1.00 20.00 C ATOM 438 C TYR A 21 -25.071 -7.948 4.041 1.00 20.00 C ATOM 439 O TYR A 21 -24.369 -8.918 4.320 1.00 20.00 O ATOM 440 CB TYR A 21 -23.693 -5.865 3.921 1.00 20.00 C ATOM 441 CG TYR A 21 -22.809 -4.998 3.053 1.00 20.00 C ATOM 442 CD1 TYR A 21 -23.303 -3.849 2.448 1.00 20.00 C ATOM 443 CD2 TYR A 21 -21.476 -5.327 2.845 1.00 20.00 C ATOM 444 CE1 TYR A 21 -22.496 -3.056 1.658 1.00 20.00 C ATOM 445 CE2 TYR A 21 -20.663 -4.539 2.056 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.178 -3.406 1.466 1.00 20.00 C ATOM 447 OH TYR A 21 -20.369 -2.611 0.686 1.00 20.00 O ATOM 0 H TYR A 21 -25.901 -5.261 2.894 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.935 -7.300 2.350 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.344 -5.225 4.517 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.069 -6.422 4.619 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -24.336 -3.572 2.599 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -21.069 -6.214 3.308 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -22.895 -2.167 1.193 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -19.629 -4.809 1.902 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.468 -2.995 0.651 1.00 20.00 H new ATOM 457 N ASN A 22 -26.307 -7.795 4.494 1.00 20.00 N ATOM 458 CA ASN A 22 -26.926 -8.771 5.382 1.00 20.00 C ATOM 459 C ASN A 22 -27.280 -10.042 4.613 1.00 20.00 C ATOM 460 O ASN A 22 -26.955 -11.149 5.047 1.00 20.00 O ATOM 461 CB ASN A 22 -28.174 -8.173 6.043 1.00 20.00 C ATOM 462 CG ASN A 22 -28.797 -9.087 7.084 1.00 20.00 C ATOM 463 OD1 ASN A 22 -30.013 -9.086 7.273 1.00 20.00 O ATOM 464 ND2 ASN A 22 -27.974 -9.852 7.790 1.00 20.00 N ATOM 0 H ASN A 22 -26.904 -7.001 4.261 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.213 -9.032 6.165 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.910 -7.226 6.513 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.914 -7.952 5.274 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.344 -10.465 8.516 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -26.971 -9.827 7.606 1.00 20.00 H new ATOM 471 N GLU A 23 -27.925 -9.877 3.458 1.00 20.00 N ATOM 472 CA GLU A 23 -28.269 -11.012 2.605 1.00 20.00 C ATOM 473 C GLU A 23 -27.004 -11.732 2.144 1.00 20.00 C ATOM 474 O GLU A 23 -26.944 -12.963 2.124 1.00 20.00 O ATOM 475 CB GLU A 23 -29.093 -10.563 1.387 1.00 20.00 C ATOM 476 CG GLU A 23 -28.369 -9.580 0.473 1.00 20.00 C ATOM 477 CD GLU A 23 -29.091 -9.334 -0.833 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.943 -8.422 -0.892 1.00 20.00 O ATOM 479 OE2 GLU A 23 -28.805 -10.046 -1.817 1.00 20.00 O ATOM 0 H GLU A 23 -28.219 -8.971 3.093 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.877 -11.700 3.192 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.373 -11.443 0.807 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -30.018 -10.104 1.737 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.246 -8.632 0.996 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -27.369 -9.960 0.262 1.00 20.00 H new ATOM 486 N TRP A 24 -25.989 -10.948 1.797 1.00 20.00 N ATOM 487 CA TRP A 24 -24.719 -11.484 1.336 1.00 20.00 C ATOM 488 C TRP A 24 -24.025 -12.257 2.451 1.00 20.00 C ATOM 489 O TRP A 24 -23.419 -13.300 2.212 1.00 20.00 O ATOM 490 CB TRP A 24 -23.829 -10.345 0.828 1.00 20.00 C ATOM 491 CG TRP A 24 -22.529 -10.804 0.245 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.278 -10.534 0.720 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.349 -11.613 -0.925 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.333 -11.117 -0.086 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.964 -11.788 -1.100 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.224 -12.204 -1.840 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -20.435 -12.530 -2.153 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.697 -12.942 -2.883 1.00 20.00 C ATOM 499 CH2 TRP A 24 -21.314 -13.099 -3.032 1.00 20.00 C ATOM 0 H TRP A 24 -26.025 -9.929 1.828 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.905 -12.176 0.515 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.375 -9.780 0.073 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.625 -9.661 1.652 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.064 -9.947 1.601 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.323 -11.060 0.048 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.292 -12.086 -1.734 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -19.368 -12.652 -2.271 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -23.364 -13.405 -3.595 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -20.934 -13.681 -3.858 1.00 20.00 H new ATOM 510 N LEU A 25 -24.141 -11.757 3.676 1.00 20.00 N ATOM 511 CA LEU A 25 -23.538 -12.417 4.822 1.00 20.00 C ATOM 512 C LEU A 25 -24.216 -13.756 5.073 1.00 20.00 C ATOM 513 O LEU A 25 -23.553 -14.748 5.363 1.00 20.00 O ATOM 514 CB LEU A 25 -23.629 -11.531 6.067 1.00 20.00 C ATOM 515 CG LEU A 25 -22.896 -12.060 7.306 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.425 -12.310 7.000 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.035 -11.080 8.459 1.00 20.00 C ATOM 0 H LEU A 25 -24.646 -10.899 3.898 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.484 -12.592 4.605 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.229 -10.547 5.822 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.681 -11.394 6.319 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.351 -13.008 7.593 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.926 -12.685 7.894 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.340 -13.046 6.201 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -20.955 -11.378 6.686 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.510 -11.468 9.332 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.605 -10.120 8.174 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.090 -10.948 8.699 1.00 20.00 H new ATOM 529 N ARG A 26 -25.539 -13.779 4.935 1.00 20.00 N ATOM 530 CA ARG A 26 -26.303 -15.011 5.089 1.00 20.00 C ATOM 531 C ARG A 26 -25.843 -16.057 4.080 1.00 20.00 C ATOM 532 O ARG A 26 -25.669 -17.226 4.418 1.00 20.00 O ATOM 533 CB ARG A 26 -27.802 -14.749 4.914 1.00 20.00 C ATOM 534 CG ARG A 26 -28.419 -13.892 6.007 1.00 20.00 C ATOM 535 CD ARG A 26 -28.293 -14.545 7.374 1.00 20.00 C ATOM 536 NE ARG A 26 -29.062 -13.830 8.387 1.00 20.00 N ATOM 537 CZ ARG A 26 -29.072 -14.146 9.680 1.00 20.00 C ATOM 538 NH1 ARG A 26 -28.325 -15.145 10.133 1.00 20.00 N ATOM 539 NH2 ARG A 26 -29.834 -13.461 10.523 1.00 20.00 N ATOM 0 H ARG A 26 -26.103 -12.958 4.717 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.128 -15.388 6.097 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.964 -14.263 3.952 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.324 -15.705 4.880 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.932 -12.917 6.023 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.471 -13.718 5.782 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -28.638 -15.578 7.317 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -27.244 -14.575 7.668 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.628 -13.037 8.085 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -27.738 -15.676 9.489 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -28.337 -15.382 11.125 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.411 -12.693 10.180 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -29.843 -13.702 11.514 1.00 20.00 H new ATOM 553 N ALA A 27 -25.624 -15.619 2.846 1.00 20.00 N ATOM 554 CA ALA A 27 -25.166 -16.505 1.783 1.00 20.00 C ATOM 555 C ALA A 27 -23.789 -17.074 2.104 1.00 20.00 C ATOM 556 O ALA A 27 -23.485 -18.220 1.781 1.00 20.00 O ATOM 557 CB ALA A 27 -25.132 -15.762 0.459 1.00 20.00 C ATOM 0 H ALA A 27 -25.757 -14.650 2.556 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.868 -17.335 1.705 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.788 -16.435 -0.327 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.132 -15.403 0.217 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.451 -14.914 0.535 1.00 20.00 H new ATOM 563 N LYS A 28 -22.969 -16.265 2.758 1.00 20.00 N ATOM 564 CA LYS A 28 -21.615 -16.667 3.109 1.00 20.00 C ATOM 565 C LYS A 28 -21.607 -17.589 4.324 1.00 20.00 C ATOM 566 O LYS A 28 -21.025 -18.671 4.288 1.00 20.00 O ATOM 567 CB LYS A 28 -20.747 -15.438 3.399 1.00 20.00 C ATOM 568 CG LYS A 28 -20.488 -14.555 2.187 1.00 20.00 C ATOM 569 CD LYS A 28 -19.768 -13.271 2.578 1.00 20.00 C ATOM 570 CE LYS A 28 -18.448 -13.550 3.288 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.752 -12.295 3.674 1.00 20.00 N ATOM 0 H LYS A 28 -23.219 -15.323 3.057 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.205 -17.209 2.257 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.230 -14.841 4.173 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.791 -15.770 3.803 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.890 -15.102 1.458 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.434 -14.311 1.704 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.580 -12.674 1.685 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.411 -12.678 3.228 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.634 -14.151 4.178 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.802 -14.138 2.636 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.859 -12.527 4.154 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.552 -11.733 2.822 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.358 -11.746 4.316 1.00 20.00 H new ATOM 585 N VAL A 29 -22.265 -17.162 5.395 1.00 20.00 N ATOM 586 CA VAL A 29 -22.182 -17.870 6.664 1.00 20.00 C ATOM 587 C VAL A 29 -23.054 -19.126 6.679 1.00 20.00 C ATOM 588 O VAL A 29 -22.693 -20.131 7.292 1.00 20.00 O ATOM 589 CB VAL A 29 -22.546 -16.949 7.856 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.018 -16.564 7.848 1.00 20.00 C ATOM 591 CG2 VAL A 29 -22.165 -17.601 9.173 1.00 20.00 C ATOM 0 H VAL A 29 -22.859 -16.333 5.409 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.144 -18.182 6.776 1.00 20.00 H new ATOM 0 HB VAL A 29 -21.971 -16.029 7.745 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.230 -15.918 8.700 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.250 -16.034 6.924 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.630 -17.464 7.914 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -22.429 -16.938 9.997 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.701 -18.544 9.280 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -21.092 -17.789 9.189 1.00 20.00 H new ATOM 772 N HIS A 42 -27.336 -41.355 -5.041 1.00 20.00 N ATOM 773 CA HIS A 42 -28.217 -42.308 -5.701 1.00 20.00 C ATOM 774 C HIS A 42 -27.468 -43.075 -6.785 1.00 20.00 C ATOM 775 O HIS A 42 -27.821 -44.203 -7.116 1.00 20.00 O ATOM 776 CB HIS A 42 -29.457 -41.603 -6.288 1.00 20.00 C ATOM 777 CG HIS A 42 -29.161 -40.565 -7.337 1.00 20.00 C ATOM 778 ND1 HIS A 42 -29.139 -39.209 -7.075 1.00 20.00 N ATOM 779 CD2 HIS A 42 -28.887 -40.690 -8.660 1.00 20.00 C ATOM 780 CE1 HIS A 42 -28.864 -38.551 -8.187 1.00 20.00 C ATOM 781 NE2 HIS A 42 -28.708 -39.425 -9.161 1.00 20.00 N ATOM 0 HA HIS A 42 -28.560 -43.022 -4.952 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -30.115 -42.357 -6.720 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -30.006 -41.129 -5.474 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -28.822 -41.614 -9.216 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -28.781 -37.478 -8.282 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -28.489 -39.198 -10.131 1.00 20.00 H new ATOM 790 N ASP A 43 -26.414 -42.466 -7.315 1.00 20.00 N ATOM 791 CA ASP A 43 -25.622 -43.099 -8.365 1.00 20.00 C ATOM 792 C ASP A 43 -24.780 -44.228 -7.787 1.00 20.00 C ATOM 793 O ASP A 43 -24.469 -45.203 -8.475 1.00 20.00 O ATOM 794 CB ASP A 43 -24.721 -42.078 -9.069 1.00 20.00 C ATOM 795 CG ASP A 43 -23.607 -41.555 -8.183 1.00 20.00 C ATOM 796 OD1 ASP A 43 -23.879 -40.684 -7.333 1.00 20.00 O ATOM 797 OD2 ASP A 43 -22.454 -42.011 -8.340 1.00 20.00 O ATOM 0 H ASP A 43 -26.088 -41.540 -7.038 1.00 20.00 H new ATOM 0 HA ASP A 43 -26.311 -43.512 -9.102 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -24.286 -42.538 -9.956 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -25.329 -41.240 -9.410 1.00 20.00 H new ATOM 802 N GLU A 44 -24.431 -44.100 -6.515 1.00 20.00 N ATOM 803 CA GLU A 44 -23.631 -45.105 -5.837 1.00 20.00 C ATOM 804 C GLU A 44 -24.496 -46.301 -5.452 1.00 20.00 C ATOM 805 O GLU A 44 -24.060 -47.448 -5.527 1.00 20.00 O ATOM 806 CB GLU A 44 -22.958 -44.505 -4.597 1.00 20.00 C ATOM 807 CG GLU A 44 -22.066 -45.482 -3.848 1.00 20.00 C ATOM 808 CD GLU A 44 -21.252 -44.816 -2.759 1.00 20.00 C ATOM 809 OE1 GLU A 44 -20.179 -44.259 -3.072 1.00 20.00 O ATOM 810 OE2 GLU A 44 -21.668 -44.852 -1.585 1.00 20.00 O ATOM 0 H GLU A 44 -24.692 -43.305 -5.931 1.00 20.00 H new ATOM 0 HA GLU A 44 -22.853 -45.448 -6.519 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -22.363 -43.643 -4.900 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -23.729 -44.138 -3.919 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -22.683 -46.265 -3.407 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -21.392 -45.967 -4.554 1.00 20.00 H new ATOM 817 N VAL A 45 -25.733 -46.028 -5.065 1.00 20.00 N ATOM 818 CA VAL A 45 -26.657 -47.085 -4.689 1.00 20.00 C ATOM 819 C VAL A 45 -27.176 -47.813 -5.925 1.00 20.00 C ATOM 820 O VAL A 45 -27.149 -49.039 -5.986 1.00 20.00 O ATOM 821 CB VAL A 45 -27.852 -46.538 -3.884 1.00 20.00 C ATOM 822 CG1 VAL A 45 -28.761 -47.671 -3.433 1.00 20.00 C ATOM 823 CG2 VAL A 45 -27.369 -45.731 -2.692 1.00 20.00 C ATOM 0 H VAL A 45 -26.119 -45.086 -5.003 1.00 20.00 H new ATOM 0 HA VAL A 45 -26.104 -47.782 -4.059 1.00 20.00 H new ATOM 0 HB VAL A 45 -28.428 -45.878 -4.533 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -29.598 -47.263 -2.867 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -29.139 -48.204 -4.306 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -28.198 -48.360 -2.803 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -28.227 -45.353 -2.136 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -26.767 -46.366 -2.042 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -26.765 -44.893 -3.040 1.00 20.00 H new ATOM 833 N GLU A 46 -27.616 -47.046 -6.918 1.00 20.00 N ATOM 834 CA GLU A 46 -28.244 -47.605 -8.117 1.00 20.00 C ATOM 835 C GLU A 46 -27.303 -48.553 -8.860 1.00 20.00 C ATOM 836 O GLU A 46 -27.741 -49.557 -9.422 1.00 20.00 O ATOM 837 CB GLU A 46 -28.699 -46.479 -9.052 1.00 20.00 C ATOM 838 CG GLU A 46 -29.594 -46.947 -10.188 1.00 20.00 C ATOM 839 CD GLU A 46 -30.858 -47.623 -9.691 1.00 20.00 C ATOM 840 OE1 GLU A 46 -31.702 -46.938 -9.072 1.00 20.00 O ATOM 841 OE2 GLU A 46 -31.008 -48.842 -9.904 1.00 20.00 O ATOM 0 H GLU A 46 -27.550 -46.028 -6.918 1.00 20.00 H new ATOM 0 HA GLU A 46 -29.112 -48.181 -7.795 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -29.232 -45.728 -8.468 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -27.820 -45.991 -9.472 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -29.863 -46.093 -10.810 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -29.040 -47.640 -10.821 1.00 20.00 H new ATOM 848 N ARG A 47 -26.008 -48.246 -8.850 1.00 20.00 N ATOM 849 CA ARG A 47 -25.031 -49.078 -9.548 1.00 20.00 C ATOM 850 C ARG A 47 -24.928 -50.454 -8.890 1.00 20.00 C ATOM 851 O ARG A 47 -24.739 -51.463 -9.567 1.00 20.00 O ATOM 852 CB ARG A 47 -23.656 -48.392 -9.597 1.00 20.00 C ATOM 853 CG ARG A 47 -22.985 -48.231 -8.243 1.00 20.00 C ATOM 854 CD ARG A 47 -21.655 -47.496 -8.353 1.00 20.00 C ATOM 855 NE ARG A 47 -21.821 -46.134 -8.860 1.00 20.00 N ATOM 856 CZ ARG A 47 -20.831 -45.399 -9.368 1.00 20.00 C ATOM 857 NH1 ARG A 47 -19.598 -45.888 -9.429 1.00 20.00 N ATOM 858 NH2 ARG A 47 -21.072 -44.167 -9.803 1.00 20.00 N ATOM 0 H ARG A 47 -25.614 -47.436 -8.372 1.00 20.00 H new ATOM 0 HA ARG A 47 -25.374 -49.213 -10.574 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -22.999 -48.969 -10.248 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -23.771 -47.408 -10.051 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -23.648 -47.684 -7.572 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -22.822 -49.213 -7.799 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -21.177 -47.462 -7.374 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -20.988 -48.050 -9.014 1.00 20.00 H new ATOM 0 HE ARG A 47 -22.753 -45.720 -8.823 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -19.405 -46.829 -9.087 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -18.844 -45.322 -9.818 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -22.015 -43.782 -9.749 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -20.314 -43.606 -10.191 1.00 20.00 H new ATOM 872 N ARG A 48 -25.089 -50.491 -7.572 1.00 20.00 N ATOM 873 CA ARG A 48 -25.036 -51.746 -6.832 1.00 20.00 C ATOM 874 C ARG A 48 -26.405 -52.409 -6.829 1.00 20.00 C ATOM 875 O ARG A 48 -26.521 -53.636 -6.830 1.00 20.00 O ATOM 876 CB ARG A 48 -24.576 -51.509 -5.391 1.00 20.00 C ATOM 877 CG ARG A 48 -23.142 -51.025 -5.265 1.00 20.00 C ATOM 878 CD ARG A 48 -22.172 -51.986 -5.928 1.00 20.00 C ATOM 879 NE ARG A 48 -20.783 -51.620 -5.675 1.00 20.00 N ATOM 880 CZ ARG A 48 -19.749 -52.132 -6.336 1.00 20.00 C ATOM 881 NH1 ARG A 48 -19.948 -52.982 -7.333 1.00 20.00 N ATOM 882 NH2 ARG A 48 -18.513 -51.780 -6.007 1.00 20.00 N ATOM 0 H ARG A 48 -25.257 -49.667 -6.995 1.00 20.00 H new ATOM 0 HA ARG A 48 -24.317 -52.401 -7.324 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -25.237 -50.777 -4.927 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -24.685 -52.437 -4.830 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -23.048 -50.039 -5.720 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -22.885 -50.915 -4.211 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -22.354 -52.996 -5.560 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -22.353 -52.001 -7.003 1.00 20.00 H new ATOM 0 HE ARG A 48 -20.593 -50.930 -4.948 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -20.897 -53.246 -7.596 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -19.152 -53.372 -7.837 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -18.357 -51.117 -5.248 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -17.719 -52.172 -6.513 1.00 20.00 H new ATOM 896 N MET A 49 -27.438 -51.579 -6.831 1.00 20.00 N ATOM 897 CA MET A 49 -28.812 -52.050 -6.813 1.00 20.00 C ATOM 898 C MET A 49 -29.144 -52.776 -8.109 1.00 20.00 C ATOM 899 O MET A 49 -29.955 -53.700 -8.124 1.00 20.00 O ATOM 900 CB MET A 49 -29.765 -50.872 -6.610 1.00 20.00 C ATOM 901 CG MET A 49 -31.180 -51.289 -6.250 1.00 20.00 C ATOM 902 SD MET A 49 -31.247 -52.274 -4.738 1.00 20.00 S ATOM 903 CE MET A 49 -30.546 -51.131 -3.547 1.00 20.00 C ATOM 0 H MET A 49 -27.346 -50.563 -6.845 1.00 20.00 H new ATOM 0 HA MET A 49 -28.930 -52.749 -5.985 1.00 20.00 H new ATOM 0 HB2 MET A 49 -29.373 -50.230 -5.821 1.00 20.00 H new ATOM 0 HB3 MET A 49 -29.792 -50.276 -7.522 1.00 20.00 H new ATOM 0 HG2 MET A 49 -31.798 -50.399 -6.128 1.00 20.00 H new ATOM 0 HG3 MET A 49 -31.607 -51.863 -7.073 1.00 20.00 H new ATOM 0 HE1 MET A 49 -31.051 -51.249 -2.588 1.00 20.00 H new ATOM 0 HE2 MET A 49 -29.483 -51.339 -3.425 1.00 20.00 H new ATOM 0 HE3 MET A 49 -30.677 -50.109 -3.903 1.00 20.00 H new ATOM 913 N ALA A 50 -28.496 -52.356 -9.188 1.00 20.00 N ATOM 914 CA ALA A 50 -28.673 -52.984 -10.490 1.00 20.00 C ATOM 915 C ALA A 50 -28.375 -54.478 -10.430 1.00 20.00 C ATOM 916 O ALA A 50 -29.155 -55.298 -10.921 1.00 20.00 O ATOM 917 CB ALA A 50 -27.783 -52.310 -11.520 1.00 20.00 C ATOM 0 H ALA A 50 -27.838 -51.577 -9.186 1.00 20.00 H new ATOM 0 HA ALA A 50 -29.715 -52.863 -10.785 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -27.923 -52.787 -12.490 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -28.046 -51.255 -11.593 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -26.740 -52.404 -11.217 1.00 20.00 H new ATOM 923 N GLU A 51 -27.256 -54.824 -9.810 1.00 20.00 N ATOM 924 CA GLU A 51 -26.861 -56.219 -9.679 1.00 20.00 C ATOM 925 C GLU A 51 -27.700 -56.909 -8.615 1.00 20.00 C ATOM 926 O GLU A 51 -28.040 -58.085 -8.744 1.00 20.00 O ATOM 927 CB GLU A 51 -25.378 -56.339 -9.328 1.00 20.00 C ATOM 928 CG GLU A 51 -24.445 -55.754 -10.375 1.00 20.00 C ATOM 929 CD GLU A 51 -23.001 -56.143 -10.141 1.00 20.00 C ATOM 930 OE1 GLU A 51 -22.336 -55.495 -9.305 1.00 20.00 O ATOM 931 OE2 GLU A 51 -22.527 -57.097 -10.792 1.00 20.00 O ATOM 0 H GLU A 51 -26.606 -54.159 -9.390 1.00 20.00 H new ATOM 0 HA GLU A 51 -27.029 -56.706 -10.639 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -25.199 -55.838 -8.376 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -25.133 -57.392 -9.186 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -24.754 -56.093 -11.364 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -24.532 -54.667 -10.369 1.00 20.00 H new ATOM 938 N ARG A 52 -28.039 -56.162 -7.570 1.00 20.00 N ATOM 939 CA ARG A 52 -28.870 -56.679 -6.493 1.00 20.00 C ATOM 940 C ARG A 52 -30.229 -57.118 -7.033 1.00 20.00 C ATOM 941 O ARG A 52 -30.719 -58.203 -6.710 1.00 20.00 O ATOM 942 CB ARG A 52 -29.048 -55.616 -5.405 1.00 20.00 C ATOM 943 CG ARG A 52 -29.947 -56.058 -4.263 1.00 20.00 C ATOM 944 CD ARG A 52 -29.368 -57.253 -3.525 1.00 20.00 C ATOM 945 NE ARG A 52 -30.313 -57.818 -2.568 1.00 20.00 N ATOM 946 CZ ARG A 52 -30.059 -58.890 -1.819 1.00 20.00 C ATOM 947 NH1 ARG A 52 -28.863 -59.467 -1.866 1.00 20.00 N ATOM 948 NH2 ARG A 52 -30.995 -59.369 -1.009 1.00 20.00 N ATOM 0 H ARG A 52 -27.749 -55.192 -7.447 1.00 20.00 H new ATOM 0 HA ARG A 52 -28.374 -57.546 -6.057 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -28.070 -55.351 -5.004 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -29.463 -54.714 -5.855 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -30.084 -55.231 -3.566 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -30.932 -56.313 -4.653 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -29.081 -58.019 -4.245 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -28.461 -56.951 -3.002 1.00 20.00 H new ATOM 0 HE ARG A 52 -31.222 -57.366 -2.466 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -28.138 -59.089 -2.476 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -28.670 -60.288 -1.292 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -31.908 -58.916 -0.960 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -30.802 -60.190 -0.435 1.00 20.00 H new ATOM 962 N PHE A 53 -30.821 -56.272 -7.869 1.00 20.00 N ATOM 963 CA PHE A 53 -32.102 -56.575 -8.482 1.00 20.00 C ATOM 964 C PHE A 53 -31.991 -57.814 -9.361 1.00 20.00 C ATOM 965 O PHE A 53 -32.874 -58.666 -9.359 1.00 20.00 O ATOM 966 CB PHE A 53 -32.603 -55.386 -9.310 1.00 20.00 C ATOM 967 CG PHE A 53 -33.929 -55.643 -9.971 1.00 20.00 C ATOM 968 CD1 PHE A 53 -35.102 -55.654 -9.228 1.00 20.00 C ATOM 969 CD2 PHE A 53 -34.003 -55.880 -11.334 1.00 20.00 C ATOM 970 CE1 PHE A 53 -36.318 -55.901 -9.835 1.00 20.00 C ATOM 971 CE2 PHE A 53 -35.217 -56.126 -11.944 1.00 20.00 C ATOM 972 CZ PHE A 53 -36.376 -56.135 -11.195 1.00 20.00 C ATOM 0 H PHE A 53 -30.430 -55.369 -8.136 1.00 20.00 H new ATOM 0 HA PHE A 53 -32.821 -56.770 -7.687 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -32.689 -54.512 -8.664 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -31.864 -55.146 -10.074 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -35.063 -55.468 -8.165 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -33.100 -55.872 -11.927 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -37.223 -55.911 -9.246 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -35.260 -56.311 -13.007 1.00 20.00 H new ATOM 0 HZ PHE A 53 -37.327 -56.325 -11.671 1.00 20.00 H new ATOM 982 N ALA A 54 -30.887 -57.915 -10.091 1.00 20.00 N ATOM 983 CA ALA A 54 -30.663 -59.034 -10.996 1.00 20.00 C ATOM 984 C ALA A 54 -30.658 -60.363 -10.243 1.00 20.00 C ATOM 985 O ALA A 54 -31.223 -61.354 -10.710 1.00 20.00 O ATOM 986 CB ALA A 54 -29.355 -58.845 -11.749 1.00 20.00 C ATOM 0 H ALA A 54 -30.130 -57.232 -10.073 1.00 20.00 H new ATOM 0 HA ALA A 54 -31.484 -59.060 -11.713 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -29.198 -59.687 -12.423 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -29.398 -57.922 -12.327 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -28.531 -58.790 -11.038 1.00 20.00 H new ATOM 992 N LYS A 55 -30.038 -60.372 -9.068 1.00 20.00 N ATOM 993 CA LYS A 55 -29.925 -61.587 -8.268 1.00 20.00 C ATOM 994 C LYS A 55 -31.270 -61.992 -7.668 1.00 20.00 C ATOM 995 O LYS A 55 -31.554 -63.179 -7.518 1.00 20.00 O ATOM 996 CB LYS A 55 -28.888 -61.412 -7.155 1.00 20.00 C ATOM 997 CG LYS A 55 -27.470 -61.102 -7.642 1.00 20.00 C ATOM 998 CD LYS A 55 -26.870 -62.232 -8.475 1.00 20.00 C ATOM 999 CE LYS A 55 -27.147 -62.057 -9.965 1.00 20.00 C ATOM 1000 NZ LYS A 55 -26.609 -63.185 -10.771 1.00 20.00 N ATOM 0 H LYS A 55 -29.605 -59.550 -8.647 1.00 20.00 H new ATOM 0 HA LYS A 55 -29.597 -62.384 -8.936 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -29.215 -60.607 -6.496 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -28.861 -62.323 -6.557 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -27.486 -60.188 -8.236 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -26.829 -60.911 -6.781 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -25.793 -62.272 -8.309 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -27.279 -63.185 -8.140 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -28.222 -61.977 -10.126 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -26.703 -61.123 -10.308 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -26.820 -63.025 -11.777 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -25.579 -63.246 -10.639 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -27.051 -64.074 -10.462 1.00 20.00 H new ATOM 1014 N MET A 56 -32.096 -61.013 -7.326 1.00 20.00 N ATOM 1015 CA MET A 56 -33.407 -61.306 -6.753 1.00 20.00 C ATOM 1016 C MET A 56 -34.428 -61.563 -7.855 1.00 20.00 C ATOM 1017 O MET A 56 -35.509 -62.100 -7.607 1.00 20.00 O ATOM 1018 CB MET A 56 -33.880 -60.162 -5.847 1.00 20.00 C ATOM 1019 CG MET A 56 -34.307 -58.907 -6.597 1.00 20.00 C ATOM 1020 SD MET A 56 -34.814 -57.566 -5.498 1.00 20.00 S ATOM 1021 CE MET A 56 -36.182 -58.334 -4.632 1.00 20.00 C ATOM 0 H MET A 56 -31.888 -60.020 -7.432 1.00 20.00 H new ATOM 0 HA MET A 56 -33.314 -62.206 -6.146 1.00 20.00 H new ATOM 0 HB2 MET A 56 -34.717 -60.514 -5.244 1.00 20.00 H new ATOM 0 HB3 MET A 56 -33.076 -59.904 -5.157 1.00 20.00 H new ATOM 0 HG2 MET A 56 -33.482 -58.565 -7.221 1.00 20.00 H new ATOM 0 HG3 MET A 56 -35.132 -59.153 -7.266 1.00 20.00 H new ATOM 0 HE1 MET A 56 -36.795 -57.564 -4.164 1.00 20.00 H new ATOM 0 HE2 MET A 56 -36.788 -58.901 -5.339 1.00 20.00 H new ATOM 0 HE3 MET A 56 -35.796 -59.006 -3.865 1.00 20.00 H new ATOM 1031 N ARG A 57 -34.077 -61.177 -9.073 1.00 20.00 N ATOM 1032 CA ARG A 57 -34.949 -61.361 -10.225 1.00 20.00 C ATOM 1033 C ARG A 57 -34.721 -62.729 -10.858 1.00 20.00 C ATOM 1034 O ARG A 57 -35.649 -63.527 -10.988 1.00 20.00 O ATOM 1035 CB ARG A 57 -34.697 -60.254 -11.257 1.00 20.00 C ATOM 1036 CG ARG A 57 -35.552 -60.358 -12.509 1.00 20.00 C ATOM 1037 CD ARG A 57 -37.026 -60.168 -12.203 1.00 20.00 C ATOM 1038 NE ARG A 57 -37.843 -60.247 -13.411 1.00 20.00 N ATOM 1039 CZ ARG A 57 -39.164 -60.090 -13.423 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -39.814 -59.838 -12.293 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -39.834 -60.177 -14.563 1.00 20.00 N ATOM 0 H ARG A 57 -33.186 -60.730 -9.290 1.00 20.00 H new ATOM 0 HA ARG A 57 -35.984 -61.305 -9.888 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -34.878 -59.287 -10.787 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -33.646 -60.276 -11.546 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -35.231 -59.607 -13.231 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -35.400 -61.333 -12.973 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -37.351 -60.929 -11.493 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -37.177 -59.200 -11.724 1.00 20.00 H new ATOM 0 HE ARG A 57 -37.373 -60.433 -14.297 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -39.300 -59.765 -11.415 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -40.827 -59.718 -12.303 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -39.337 -60.365 -15.434 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -40.847 -60.056 -14.570 1.00 20.00 H new