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= -1.59! C(o=-1.6!,f=-5.1!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.112 K(o=-0.11,f=-0.82) USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= -0.0156 (180deg=-0.219) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 49 MET CE :methyl 155:sc= -0.24 (180deg=-0.883) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 166:sc= -0.517 (180deg=-0.8) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -31.829 0.168 2.181 1.00 20.00 N ATOM 365 CA GLU A 16 -31.694 -1.283 2.059 1.00 20.00 C ATOM 366 C GLU A 16 -30.304 -1.692 1.577 1.00 20.00 C ATOM 367 O GLU A 16 -29.937 -2.863 1.642 1.00 20.00 O ATOM 368 CB GLU A 16 -32.751 -1.826 1.097 1.00 20.00 C ATOM 369 CG GLU A 16 -34.180 -1.531 1.527 1.00 20.00 C ATOM 370 CD GLU A 16 -35.204 -2.139 0.596 1.00 20.00 C ATOM 371 OE1 GLU A 16 -35.567 -1.492 -0.407 1.00 20.00 O ATOM 372 OE2 GLU A 16 -35.656 -3.270 0.863 1.00 20.00 O ATOM 0 HA GLU A 16 -31.840 -1.709 3.052 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.583 -1.399 0.108 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.625 -2.905 1.004 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -34.339 -1.914 2.535 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -34.328 -0.452 1.569 1.00 20.00 H new ATOM 379 N GLN A 17 -29.536 -0.723 1.101 1.00 20.00 N ATOM 380 CA GLN A 17 -28.176 -0.972 0.633 1.00 20.00 C ATOM 381 C GLN A 17 -27.276 -1.420 1.789 1.00 20.00 C ATOM 382 O GLN A 17 -26.236 -2.045 1.576 1.00 20.00 O ATOM 383 CB GLN A 17 -27.614 0.290 -0.026 1.00 20.00 C ATOM 384 CG GLN A 17 -26.292 0.083 -0.747 1.00 20.00 C ATOM 385 CD GLN A 17 -25.794 1.355 -1.403 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.122 1.644 -2.554 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.994 2.123 -0.682 1.00 20.00 N ATOM 0 H GLN A 17 -29.832 0.250 1.028 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.202 -1.775 -0.104 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -28.347 0.671 -0.737 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -27.482 1.057 0.738 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -25.545 -0.275 -0.038 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.410 -0.692 -1.504 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -24.745 1.850 0.269 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.626 2.989 -1.077 1.00 20.00 H new ATOM 396 N GLU A 18 -27.682 -1.100 3.014 1.00 20.00 N ATOM 397 CA GLU A 18 -26.955 -1.548 4.197 1.00 20.00 C ATOM 398 C GLU A 18 -27.359 -2.980 4.536 1.00 20.00 C ATOM 399 O GLU A 18 -26.575 -3.754 5.089 1.00 20.00 O ATOM 400 CB GLU A 18 -27.221 -0.618 5.392 1.00 20.00 C ATOM 401 CG GLU A 18 -26.507 -1.043 6.667 1.00 20.00 C ATOM 402 CD GLU A 18 -26.738 -0.096 7.826 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.768 -0.236 8.520 1.00 20.00 O ATOM 404 OE2 GLU A 18 -25.880 0.779 8.062 1.00 20.00 O ATOM 0 H GLU A 18 -28.507 -0.534 3.213 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.887 -1.518 3.982 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.909 0.393 5.131 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.294 -0.582 5.581 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.844 -2.040 6.949 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.437 -1.112 6.471 1.00 20.00 H new ATOM 411 N ASN A 19 -28.585 -3.327 4.163 1.00 20.00 N ATOM 412 CA ASN A 19 -29.120 -4.669 4.383 1.00 20.00 C ATOM 413 C ASN A 19 -28.473 -5.654 3.422 1.00 20.00 C ATOM 414 O ASN A 19 -28.562 -6.868 3.595 1.00 20.00 O ATOM 415 CB ASN A 19 -30.641 -4.681 4.203 1.00 20.00 C ATOM 416 CG ASN A 19 -31.351 -3.792 5.207 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.546 -2.599 4.970 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.758 -4.366 6.329 1.00 20.00 N ATOM 0 H ASN A 19 -29.235 -2.691 3.702 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.891 -4.968 5.406 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.887 -4.352 3.193 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.008 -5.703 4.304 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.252 -3.817 7.033 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.578 -5.357 6.489 1.00 20.00 H new ATOM 425 N SER A 20 -27.821 -5.120 2.400 1.00 20.00 N ATOM 426 CA SER A 20 -27.087 -5.942 1.456 1.00 20.00 C ATOM 427 C SER A 20 -25.937 -6.668 2.159 1.00 20.00 C ATOM 428 O SER A 20 -25.442 -7.681 1.671 1.00 20.00 O ATOM 429 CB SER A 20 -26.557 -5.072 0.318 1.00 20.00 C ATOM 430 OG SER A 20 -27.594 -4.266 -0.220 1.00 20.00 O ATOM 0 H SER A 20 -27.787 -4.119 2.205 1.00 20.00 H new ATOM 0 HA SER A 20 -27.759 -6.693 1.042 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.749 -4.438 0.684 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.137 -5.704 -0.465 1.00 20.00 H new ATOM 0 HG SER A 20 -27.236 -3.714 -0.946 1.00 20.00 H new ATOM 436 N TYR A 21 -25.534 -6.159 3.320 1.00 20.00 N ATOM 437 CA TYR A 21 -24.482 -6.790 4.099 1.00 20.00 C ATOM 438 C TYR A 21 -24.929 -8.162 4.591 1.00 20.00 C ATOM 439 O TYR A 21 -24.233 -9.156 4.386 1.00 20.00 O ATOM 440 CB TYR A 21 -24.073 -5.908 5.283 1.00 20.00 C ATOM 441 CG TYR A 21 -22.950 -6.495 6.113 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.720 -6.785 5.537 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.117 -6.762 7.467 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.691 -7.325 6.282 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.090 -7.302 8.221 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.879 -7.582 7.623 1.00 20.00 C ATOM 447 OH TYR A 21 -19.853 -8.119 8.366 1.00 20.00 O ATOM 0 H TYR A 21 -25.921 -5.313 3.738 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.614 -6.917 3.452 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.766 -4.931 4.909 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.941 -5.746 5.922 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.566 -6.584 4.487 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.064 -6.544 7.938 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.742 -7.545 5.816 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.236 -7.503 9.272 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.148 -8.238 9.293 1.00 20.00 H new ATOM 457 N ASN A 22 -26.104 -8.225 5.214 1.00 20.00 N ATOM 458 CA ASN A 22 -26.624 -9.498 5.698 1.00 20.00 C ATOM 459 C ASN A 22 -27.067 -10.362 4.525 1.00 20.00 C ATOM 460 O ASN A 22 -27.132 -11.588 4.628 1.00 20.00 O ATOM 461 CB ASN A 22 -27.772 -9.313 6.703 1.00 20.00 C ATOM 462 CG ASN A 22 -28.965 -8.572 6.134 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.062 -7.350 6.250 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.889 -9.308 5.536 1.00 20.00 N ATOM 0 H ASN A 22 -26.705 -7.421 5.393 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.817 -10.003 6.229 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.097 -10.292 7.054 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -27.399 -8.771 7.572 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.722 -8.865 5.149 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.768 -10.318 5.462 1.00 20.00 H new ATOM 471 N GLU A 23 -27.352 -9.711 3.404 1.00 20.00 N ATOM 472 CA GLU A 23 -27.644 -10.409 2.159 1.00 20.00 C ATOM 473 C GLU A 23 -26.431 -11.238 1.727 1.00 20.00 C ATOM 474 O GLU A 23 -26.567 -12.366 1.260 1.00 20.00 O ATOM 475 CB GLU A 23 -28.017 -9.399 1.068 1.00 20.00 C ATOM 476 CG GLU A 23 -28.415 -10.032 -0.253 1.00 20.00 C ATOM 477 CD GLU A 23 -29.766 -10.713 -0.200 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.848 -11.847 0.313 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.751 -10.120 -0.688 1.00 20.00 O ATOM 0 H GLU A 23 -27.387 -8.694 3.332 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.488 -11.081 2.316 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.841 -8.782 1.426 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.170 -8.734 0.899 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.431 -9.265 -1.027 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -27.658 -10.761 -0.543 1.00 20.00 H new ATOM 486 N TRP A 24 -25.240 -10.679 1.902 1.00 20.00 N ATOM 487 CA TRP A 24 -24.012 -11.405 1.598 1.00 20.00 C ATOM 488 C TRP A 24 -23.703 -12.435 2.681 1.00 20.00 C ATOM 489 O TRP A 24 -23.106 -13.477 2.405 1.00 20.00 O ATOM 490 CB TRP A 24 -22.828 -10.446 1.441 1.00 20.00 C ATOM 491 CG TRP A 24 -22.788 -9.751 0.114 1.00 20.00 C ATOM 492 CD1 TRP A 24 -23.297 -8.523 -0.189 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.196 -10.249 -1.092 1.00 20.00 C ATOM 494 NE1 TRP A 24 -23.060 -8.226 -1.508 1.00 20.00 N ATOM 495 CE2 TRP A 24 -22.385 -9.269 -2.084 1.00 20.00 C ATOM 496 CE3 TRP A 24 -21.524 -11.428 -1.429 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -21.927 -9.434 -3.389 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.068 -11.589 -2.723 1.00 20.00 C ATOM 499 CH2 TRP A 24 -21.272 -10.597 -3.690 1.00 20.00 C ATOM 0 H TRP A 24 -25.098 -9.731 2.251 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.167 -11.925 0.653 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.871 -9.697 2.232 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -21.901 -11.002 1.578 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -23.812 -7.878 0.507 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -23.341 -7.368 -1.982 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.364 -12.200 -0.690 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -22.083 -8.671 -4.137 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -20.546 -12.495 -2.993 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -20.905 -10.753 -4.694 1.00 20.00 H new ATOM 510 N LEU A 25 -24.125 -12.151 3.907 1.00 20.00 N ATOM 511 CA LEU A 25 -23.870 -13.047 5.028 1.00 20.00 C ATOM 512 C LEU A 25 -24.638 -14.356 4.868 1.00 20.00 C ATOM 513 O LEU A 25 -24.088 -15.435 5.084 1.00 20.00 O ATOM 514 CB LEU A 25 -24.234 -12.375 6.356 1.00 20.00 C ATOM 515 CG LEU A 25 -23.403 -11.133 6.705 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.919 -10.481 7.978 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.931 -11.495 6.855 1.00 20.00 C ATOM 0 H LEU A 25 -24.645 -11.308 4.150 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.804 -13.275 5.036 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.286 -12.093 6.326 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.122 -13.105 7.158 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.502 -10.419 5.887 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.316 -9.603 8.207 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.958 -10.182 7.838 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.854 -11.191 8.803 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.360 -10.600 7.102 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.816 -12.230 7.651 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.562 -11.914 5.919 1.00 20.00 H new ATOM 529 N ARG A 26 -25.901 -14.266 4.464 1.00 20.00 N ATOM 530 CA ARG A 26 -26.707 -15.461 4.245 1.00 20.00 C ATOM 531 C ARG A 26 -26.166 -16.257 3.056 1.00 20.00 C ATOM 532 O ARG A 26 -26.418 -17.456 2.922 1.00 20.00 O ATOM 533 CB ARG A 26 -28.192 -15.094 4.051 1.00 20.00 C ATOM 534 CG ARG A 26 -28.482 -14.218 2.838 1.00 20.00 C ATOM 535 CD ARG A 26 -28.628 -15.035 1.562 1.00 20.00 C ATOM 536 NE ARG A 26 -28.622 -14.192 0.373 1.00 20.00 N ATOM 537 CZ ARG A 26 -28.252 -14.606 -0.835 1.00 20.00 C ATOM 538 NH1 ARG A 26 -27.986 -15.889 -1.049 1.00 20.00 N ATOM 539 NH2 ARG A 26 -28.189 -13.740 -1.837 1.00 20.00 N ATOM 0 H ARG A 26 -26.385 -13.386 4.283 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.640 -16.093 5.131 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.770 -16.014 3.964 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.544 -14.580 4.945 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.397 -13.651 3.011 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -27.677 -13.494 2.714 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -27.815 -15.758 1.499 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.557 -15.603 1.599 1.00 20.00 H new ATOM 0 HE ARG A 26 -28.921 -13.222 0.474 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.065 -16.561 -0.285 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -27.702 -16.203 -1.977 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -28.424 -12.760 -1.680 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -27.906 -14.054 -2.765 1.00 20.00 H new ATOM 553 N ALA A 27 -25.410 -15.579 2.202 1.00 20.00 N ATOM 554 CA ALA A 27 -24.790 -16.215 1.054 1.00 20.00 C ATOM 555 C ALA A 27 -23.536 -16.975 1.466 1.00 20.00 C ATOM 556 O ALA A 27 -23.092 -17.882 0.766 1.00 20.00 O ATOM 557 CB ALA A 27 -24.456 -15.179 -0.004 1.00 20.00 C ATOM 0 H ALA A 27 -25.212 -14.582 2.287 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.498 -16.930 0.635 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.992 -15.669 -0.860 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.370 -14.679 -0.325 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.766 -14.444 0.411 1.00 20.00 H new ATOM 563 N LYS A 28 -22.970 -16.600 2.607 1.00 20.00 N ATOM 564 CA LYS A 28 -21.772 -17.260 3.113 1.00 20.00 C ATOM 565 C LYS A 28 -22.120 -18.638 3.660 1.00 20.00 C ATOM 566 O LYS A 28 -21.445 -19.626 3.360 1.00 20.00 O ATOM 567 CB LYS A 28 -21.096 -16.414 4.200 1.00 20.00 C ATOM 568 CG LYS A 28 -19.854 -17.067 4.796 1.00 20.00 C ATOM 569 CD LYS A 28 -19.173 -16.171 5.820 1.00 20.00 C ATOM 570 CE LYS A 28 -20.021 -15.973 7.070 1.00 20.00 C ATOM 571 NZ LYS A 28 -20.265 -17.252 7.788 1.00 20.00 N ATOM 0 H LYS A 28 -23.319 -15.845 3.198 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.072 -17.374 2.285 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.821 -15.447 3.778 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.813 -16.221 4.998 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.131 -18.010 5.267 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.151 -17.304 3.998 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.214 -16.607 6.100 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.963 -15.201 5.369 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.522 -15.272 7.739 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -20.975 -15.525 6.793 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -20.649 -17.052 8.733 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -20.946 -17.827 7.252 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -19.370 -17.774 7.882 1.00 20.00 H new ATOM 585 N VAL A 29 -23.178 -18.700 4.462 1.00 20.00 N ATOM 586 CA VAL A 29 -23.650 -19.968 4.994 1.00 20.00 C ATOM 587 C VAL A 29 -24.243 -20.820 3.870 1.00 20.00 C ATOM 588 O VAL A 29 -24.003 -22.029 3.808 1.00 20.00 O ATOM 589 CB VAL A 29 -24.678 -19.764 6.137 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.924 -19.036 5.659 1.00 20.00 C ATOM 591 CG2 VAL A 29 -25.041 -21.094 6.774 1.00 20.00 C ATOM 0 H VAL A 29 -23.722 -17.888 4.756 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.796 -20.494 5.422 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.206 -19.134 6.891 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.617 -18.915 6.492 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.647 -18.055 5.272 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -26.403 -19.615 4.870 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.763 -20.929 7.574 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.476 -21.751 6.021 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.144 -21.557 7.185 1.00 20.00 H new ATOM 772 N HIS A 42 -41.260 -15.495 -13.647 1.00 20.00 N ATOM 773 CA HIS A 42 -40.286 -16.471 -14.150 1.00 20.00 C ATOM 774 C HIS A 42 -40.373 -16.633 -15.666 1.00 20.00 C ATOM 775 O HIS A 42 -39.390 -16.987 -16.312 1.00 20.00 O ATOM 776 CB HIS A 42 -40.441 -17.841 -13.462 1.00 20.00 C ATOM 777 CG HIS A 42 -41.796 -18.476 -13.609 1.00 20.00 C ATOM 778 ND1 HIS A 42 -42.190 -19.169 -14.735 1.00 20.00 N ATOM 779 CD2 HIS A 42 -42.848 -18.526 -12.756 1.00 20.00 C ATOM 780 CE1 HIS A 42 -43.423 -19.612 -14.567 1.00 20.00 C ATOM 781 NE2 HIS A 42 -43.842 -19.235 -13.377 1.00 20.00 N ATOM 0 HA HIS A 42 -39.300 -16.075 -13.906 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -39.692 -18.521 -13.867 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -40.224 -17.724 -12.400 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -42.894 -18.088 -11.770 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -43.991 -20.186 -15.284 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -44.760 -19.438 -12.981 1.00 20.00 H new ATOM 790 N ASP A 43 -41.542 -16.363 -16.231 1.00 20.00 N ATOM 791 CA ASP A 43 -41.735 -16.484 -17.672 1.00 20.00 C ATOM 792 C ASP A 43 -41.198 -15.248 -18.387 1.00 20.00 C ATOM 793 O ASP A 43 -40.880 -15.292 -19.576 1.00 20.00 O ATOM 794 CB ASP A 43 -43.217 -16.696 -18.011 1.00 20.00 C ATOM 795 CG ASP A 43 -44.062 -15.453 -17.812 1.00 20.00 C ATOM 796 OD1 ASP A 43 -44.151 -14.960 -16.668 1.00 20.00 O ATOM 797 OD2 ASP A 43 -44.639 -14.961 -18.800 1.00 20.00 O ATOM 0 H ASP A 43 -42.369 -16.060 -15.717 1.00 20.00 H new ATOM 0 HA ASP A 43 -41.179 -17.356 -18.016 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -43.302 -17.023 -19.047 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -43.613 -17.499 -17.390 1.00 20.00 H new ATOM 802 N GLU A 44 -41.079 -14.158 -17.647 1.00 20.00 N ATOM 803 CA GLU A 44 -40.545 -12.914 -18.183 1.00 20.00 C ATOM 804 C GLU A 44 -39.028 -12.877 -18.011 1.00 20.00 C ATOM 805 O GLU A 44 -38.307 -12.329 -18.847 1.00 20.00 O ATOM 806 CB GLU A 44 -41.210 -11.720 -17.487 1.00 20.00 C ATOM 807 CG GLU A 44 -40.661 -10.364 -17.905 1.00 20.00 C ATOM 808 CD GLU A 44 -40.692 -10.143 -19.405 1.00 20.00 C ATOM 809 OE1 GLU A 44 -41.761 -10.339 -20.020 1.00 20.00 O ATOM 810 OE2 GLU A 44 -39.651 -9.755 -19.970 1.00 20.00 O ATOM 0 H GLU A 44 -41.347 -14.109 -16.664 1.00 20.00 H new ATOM 0 HA GLU A 44 -40.765 -12.855 -19.249 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -42.280 -11.745 -17.693 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -41.090 -11.830 -16.409 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -41.239 -9.579 -17.417 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -39.634 -10.271 -17.552 1.00 20.00 H new ATOM 817 N VAL A 45 -38.550 -13.469 -16.924 1.00 20.00 N ATOM 818 CA VAL A 45 -37.116 -13.591 -16.678 1.00 20.00 C ATOM 819 C VAL A 45 -36.452 -14.354 -17.815 1.00 20.00 C ATOM 820 O VAL A 45 -35.378 -13.986 -18.282 1.00 20.00 O ATOM 821 CB VAL A 45 -36.832 -14.308 -15.341 1.00 20.00 C ATOM 822 CG1 VAL A 45 -35.337 -14.485 -15.115 1.00 20.00 C ATOM 823 CG2 VAL A 45 -37.452 -13.539 -14.190 1.00 20.00 C ATOM 0 H VAL A 45 -39.136 -13.874 -16.195 1.00 20.00 H new ATOM 0 HA VAL A 45 -36.703 -12.584 -16.622 1.00 20.00 H new ATOM 0 HB VAL A 45 -37.283 -15.299 -15.389 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -35.170 -14.993 -14.165 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -34.915 -15.081 -15.924 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -34.854 -13.508 -15.094 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -37.244 -14.056 -13.253 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -37.028 -12.535 -14.153 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -38.530 -13.472 -14.336 1.00 20.00 H new ATOM 833 N GLU A 46 -37.135 -15.393 -18.278 1.00 20.00 N ATOM 834 CA GLU A 46 -36.654 -16.229 -19.376 1.00 20.00 C ATOM 835 C GLU A 46 -36.453 -15.399 -20.649 1.00 20.00 C ATOM 836 O GLU A 46 -35.660 -15.753 -21.520 1.00 20.00 O ATOM 837 CB GLU A 46 -37.655 -17.375 -19.609 1.00 20.00 C ATOM 838 CG GLU A 46 -37.223 -18.426 -20.626 1.00 20.00 C ATOM 839 CD GLU A 46 -37.600 -18.073 -22.051 1.00 20.00 C ATOM 840 OE1 GLU A 46 -38.792 -17.790 -22.306 1.00 20.00 O ATOM 841 OE2 GLU A 46 -36.712 -18.085 -22.929 1.00 20.00 O ATOM 0 H GLU A 46 -38.039 -15.682 -17.904 1.00 20.00 H new ATOM 0 HA GLU A 46 -35.684 -16.651 -19.112 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -37.841 -17.871 -18.656 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -38.602 -16.946 -19.936 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -36.143 -18.557 -20.565 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -37.676 -19.382 -20.364 1.00 20.00 H new ATOM 848 N ARG A 47 -37.151 -14.278 -20.736 1.00 20.00 N ATOM 849 CA ARG A 47 -37.076 -13.428 -21.915 1.00 20.00 C ATOM 850 C ARG A 47 -35.875 -12.482 -21.846 1.00 20.00 C ATOM 851 O ARG A 47 -34.910 -12.630 -22.596 1.00 20.00 O ATOM 852 CB ARG A 47 -38.364 -12.614 -22.067 1.00 20.00 C ATOM 853 CG ARG A 47 -39.626 -13.461 -22.108 1.00 20.00 C ATOM 854 CD ARG A 47 -40.866 -12.598 -22.276 1.00 20.00 C ATOM 855 NE ARG A 47 -40.878 -11.903 -23.561 1.00 20.00 N ATOM 856 CZ ARG A 47 -41.294 -10.648 -23.730 1.00 20.00 C ATOM 857 NH1 ARG A 47 -41.673 -9.917 -22.690 1.00 20.00 N ATOM 858 NH2 ARG A 47 -41.311 -10.117 -24.947 1.00 20.00 N ATOM 0 H ARG A 47 -37.775 -13.935 -20.006 1.00 20.00 H new ATOM 0 HA ARG A 47 -36.952 -14.077 -22.782 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -38.437 -11.910 -21.238 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -38.304 -12.024 -22.982 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -39.562 -14.173 -22.931 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -39.707 -14.042 -21.189 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -41.756 -13.222 -22.193 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -40.912 -11.868 -21.468 1.00 20.00 H new ATOM 0 HE ARG A 47 -40.547 -12.411 -24.381 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -41.648 -10.314 -21.751 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -41.990 -8.958 -22.829 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -41.006 -10.669 -25.749 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -41.629 -9.157 -25.080 1.00 20.00 H new ATOM 872 N ARG A 48 -35.936 -11.521 -20.932 1.00 20.00 N ATOM 873 CA ARG A 48 -34.950 -10.446 -20.885 1.00 20.00 C ATOM 874 C ARG A 48 -33.756 -10.779 -19.985 1.00 20.00 C ATOM 875 O ARG A 48 -32.618 -10.455 -20.316 1.00 20.00 O ATOM 876 CB ARG A 48 -35.620 -9.150 -20.410 1.00 20.00 C ATOM 877 CG ARG A 48 -34.653 -7.998 -20.189 1.00 20.00 C ATOM 878 CD ARG A 48 -33.951 -7.596 -21.475 1.00 20.00 C ATOM 879 NE ARG A 48 -32.961 -6.548 -21.250 1.00 20.00 N ATOM 880 CZ ARG A 48 -32.220 -6.008 -22.213 1.00 20.00 C ATOM 881 NH1 ARG A 48 -32.345 -6.430 -23.467 1.00 20.00 N ATOM 882 NH2 ARG A 48 -31.341 -5.060 -21.921 1.00 20.00 N ATOM 0 H ARG A 48 -36.657 -11.463 -20.213 1.00 20.00 H new ATOM 0 HA ARG A 48 -34.561 -10.318 -21.895 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -36.366 -8.848 -21.145 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -36.152 -9.348 -19.479 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -35.194 -7.141 -19.787 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -33.911 -8.284 -19.444 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -33.464 -8.468 -21.910 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -34.689 -7.249 -22.198 1.00 20.00 H new ATOM 0 HE ARG A 48 -32.829 -6.209 -20.297 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -33.010 -7.170 -23.692 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -31.776 -6.014 -24.204 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -31.233 -4.744 -20.957 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -30.773 -4.646 -22.660 1.00 20.00 H new ATOM 896 N MET A 49 -34.011 -11.423 -18.859 1.00 20.00 N ATOM 897 CA MET A 49 -32.972 -11.634 -17.850 1.00 20.00 C ATOM 898 C MET A 49 -32.194 -12.928 -18.061 1.00 20.00 C ATOM 899 O MET A 49 -31.134 -13.102 -17.473 1.00 20.00 O ATOM 900 CB MET A 49 -33.573 -11.620 -16.448 1.00 20.00 C ATOM 901 CG MET A 49 -34.034 -10.245 -15.994 1.00 20.00 C ATOM 902 SD MET A 49 -34.590 -10.222 -14.280 1.00 20.00 S ATOM 903 CE MET A 49 -33.083 -10.693 -13.431 1.00 20.00 C ATOM 0 H MET A 49 -34.923 -11.810 -18.615 1.00 20.00 H new ATOM 0 HA MET A 49 -32.268 -10.809 -17.958 1.00 20.00 H new ATOM 0 HB2 MET A 49 -34.420 -12.305 -16.419 1.00 20.00 H new ATOM 0 HB3 MET A 49 -32.833 -11.997 -15.742 1.00 20.00 H new ATOM 0 HG2 MET A 49 -33.216 -9.535 -16.115 1.00 20.00 H new ATOM 0 HG3 MET A 49 -34.846 -9.908 -16.639 1.00 20.00 H new ATOM 0 HE1 MET A 49 -33.106 -10.312 -12.410 1.00 20.00 H new ATOM 0 HE2 MET A 49 -33.001 -11.780 -13.411 1.00 20.00 H new ATOM 0 HE3 MET A 49 -32.224 -10.274 -13.955 1.00 20.00 H new ATOM 913 N ALA A 50 -32.739 -13.829 -18.871 1.00 20.00 N ATOM 914 CA ALA A 50 -32.186 -15.175 -19.066 1.00 20.00 C ATOM 915 C ALA A 50 -30.657 -15.208 -19.128 1.00 20.00 C ATOM 916 O ALA A 50 -30.018 -15.874 -18.313 1.00 20.00 O ATOM 917 CB ALA A 50 -32.768 -15.797 -20.325 1.00 20.00 C ATOM 0 H ALA A 50 -33.582 -13.650 -19.417 1.00 20.00 H new ATOM 0 HA ALA A 50 -32.472 -15.755 -18.188 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -32.353 -16.795 -20.463 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -33.852 -15.864 -20.230 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -32.517 -15.178 -21.186 1.00 20.00 H new ATOM 923 N GLU A 51 -30.068 -14.486 -20.074 1.00 20.00 N ATOM 924 CA GLU A 51 -28.622 -14.534 -20.254 1.00 20.00 C ATOM 925 C GLU A 51 -27.903 -13.802 -19.128 1.00 20.00 C ATOM 926 O GLU A 51 -26.811 -14.193 -18.723 1.00 20.00 O ATOM 927 CB GLU A 51 -28.215 -13.961 -21.610 1.00 20.00 C ATOM 928 CG GLU A 51 -28.804 -14.723 -22.787 1.00 20.00 C ATOM 929 CD GLU A 51 -28.158 -14.349 -24.100 1.00 20.00 C ATOM 930 OE1 GLU A 51 -27.082 -14.902 -24.414 1.00 20.00 O ATOM 931 OE2 GLU A 51 -28.717 -13.503 -24.826 1.00 20.00 O ATOM 0 H GLU A 51 -30.561 -13.869 -20.720 1.00 20.00 H new ATOM 0 HA GLU A 51 -28.323 -15.582 -20.224 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -28.531 -12.919 -21.666 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -27.128 -13.969 -21.688 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -28.685 -15.793 -22.619 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -29.875 -14.527 -22.844 1.00 20.00 H new ATOM 938 N ARG A 52 -28.531 -12.757 -18.611 1.00 20.00 N ATOM 939 CA ARG A 52 -27.996 -12.022 -17.468 1.00 20.00 C ATOM 940 C ARG A 52 -27.911 -12.947 -16.252 1.00 20.00 C ATOM 941 O ARG A 52 -26.932 -12.930 -15.502 1.00 20.00 O ATOM 942 CB ARG A 52 -28.890 -10.814 -17.160 1.00 20.00 C ATOM 943 CG ARG A 52 -28.467 -10.011 -15.939 1.00 20.00 C ATOM 944 CD ARG A 52 -27.165 -9.260 -16.171 1.00 20.00 C ATOM 945 NE ARG A 52 -26.795 -8.456 -15.007 1.00 20.00 N ATOM 946 CZ ARG A 52 -25.882 -7.484 -15.023 1.00 20.00 C ATOM 947 NH1 ARG A 52 -25.248 -7.174 -16.147 1.00 20.00 N ATOM 948 NH2 ARG A 52 -25.612 -6.816 -13.910 1.00 20.00 N ATOM 0 H ARG A 52 -29.416 -12.395 -18.965 1.00 20.00 H new ATOM 0 HA ARG A 52 -26.995 -11.663 -17.706 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -28.899 -10.154 -18.028 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -29.912 -11.163 -17.014 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -29.253 -9.301 -15.682 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -28.352 -10.681 -15.087 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -26.368 -9.970 -16.392 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -27.267 -8.614 -17.043 1.00 20.00 H new ATOM 0 HE ARG A 52 -27.267 -8.652 -14.124 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -25.458 -7.681 -17.007 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -24.551 -6.429 -16.151 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -26.102 -7.046 -13.045 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -24.914 -6.072 -13.918 1.00 20.00 H new ATOM 962 N PHE A 53 -28.942 -13.766 -16.087 1.00 20.00 N ATOM 963 CA PHE A 53 -28.999 -14.731 -15.003 1.00 20.00 C ATOM 964 C PHE A 53 -27.972 -15.835 -15.230 1.00 20.00 C ATOM 965 O PHE A 53 -27.341 -16.318 -14.292 1.00 20.00 O ATOM 966 CB PHE A 53 -30.411 -15.320 -14.906 1.00 20.00 C ATOM 967 CG PHE A 53 -30.599 -16.274 -13.760 1.00 20.00 C ATOM 968 CD1 PHE A 53 -30.655 -15.813 -12.452 1.00 20.00 C ATOM 969 CD2 PHE A 53 -30.719 -17.636 -13.990 1.00 20.00 C ATOM 970 CE1 PHE A 53 -30.827 -16.691 -11.399 1.00 20.00 C ATOM 971 CE2 PHE A 53 -30.892 -18.517 -12.940 1.00 20.00 C ATOM 972 CZ PHE A 53 -30.947 -18.045 -11.644 1.00 20.00 C ATOM 0 H PHE A 53 -29.758 -13.778 -16.699 1.00 20.00 H new ATOM 0 HA PHE A 53 -28.764 -14.230 -14.064 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -31.128 -14.505 -14.808 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -30.642 -15.837 -15.837 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -30.563 -14.755 -12.255 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -30.677 -18.012 -15.001 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -30.868 -16.319 -10.386 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -30.984 -19.576 -13.133 1.00 20.00 H new ATOM 0 HZ PHE A 53 -31.084 -18.733 -10.823 1.00 20.00 H new ATOM 982 N ALA A 54 -27.799 -16.217 -16.488 1.00 20.00 N ATOM 983 CA ALA A 54 -26.819 -17.225 -16.857 1.00 20.00 C ATOM 984 C ALA A 54 -25.404 -16.756 -16.529 1.00 20.00 C ATOM 985 O ALA A 54 -24.585 -17.533 -16.044 1.00 20.00 O ATOM 986 CB ALA A 54 -26.940 -17.558 -18.334 1.00 20.00 C ATOM 0 H ALA A 54 -28.329 -15.840 -17.274 1.00 20.00 H new ATOM 0 HA ALA A 54 -27.019 -18.126 -16.277 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -26.201 -18.314 -18.598 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -27.940 -17.940 -18.540 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -26.766 -16.659 -18.925 1.00 20.00 H new ATOM 992 N LYS A 55 -25.132 -15.481 -16.783 1.00 20.00 N ATOM 993 CA LYS A 55 -23.814 -14.905 -16.530 1.00 20.00 C ATOM 994 C LYS A 55 -23.457 -14.943 -15.046 1.00 20.00 C ATOM 995 O LYS A 55 -22.297 -15.144 -14.687 1.00 20.00 O ATOM 996 CB LYS A 55 -23.751 -13.459 -17.034 1.00 20.00 C ATOM 997 CG LYS A 55 -23.899 -13.318 -18.543 1.00 20.00 C ATOM 998 CD LYS A 55 -23.852 -11.862 -18.965 1.00 20.00 C ATOM 999 CE LYS A 55 -24.030 -11.704 -20.466 1.00 20.00 C ATOM 1000 NZ LYS A 55 -24.031 -10.276 -20.881 1.00 20.00 N ATOM 0 H LYS A 55 -25.810 -14.822 -17.166 1.00 20.00 H new ATOM 0 HA LYS A 55 -23.089 -15.511 -17.073 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -24.537 -12.882 -16.547 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -22.800 -13.021 -16.731 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -23.103 -13.870 -19.042 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -24.842 -13.761 -18.862 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -24.634 -11.308 -18.446 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -22.899 -11.427 -18.664 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -23.228 -12.231 -20.983 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -24.967 -12.171 -20.771 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -24.155 -10.214 -21.912 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -24.812 -9.778 -20.408 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -23.127 -9.836 -20.614 1.00 20.00 H new ATOM 1014 N MET A 56 -24.450 -14.747 -14.188 1.00 20.00 N ATOM 1015 CA MET A 56 -24.216 -14.734 -12.747 1.00 20.00 C ATOM 1016 C MET A 56 -24.254 -16.151 -12.178 1.00 20.00 C ATOM 1017 O MET A 56 -23.744 -16.405 -11.086 1.00 20.00 O ATOM 1018 CB MET A 56 -25.246 -13.851 -12.031 1.00 20.00 C ATOM 1019 CG MET A 56 -26.651 -14.433 -12.011 1.00 20.00 C ATOM 1020 SD MET A 56 -27.860 -13.337 -11.241 1.00 20.00 S ATOM 1021 CE MET A 56 -27.783 -11.919 -12.335 1.00 20.00 C ATOM 0 H MET A 56 -25.421 -14.595 -14.461 1.00 20.00 H new ATOM 0 HA MET A 56 -23.224 -14.316 -12.576 1.00 20.00 H new ATOM 0 HB2 MET A 56 -24.917 -13.686 -11.005 1.00 20.00 H new ATOM 0 HB3 MET A 56 -25.274 -12.876 -12.517 1.00 20.00 H new ATOM 0 HG2 MET A 56 -26.963 -14.648 -13.033 1.00 20.00 H new ATOM 0 HG3 MET A 56 -26.637 -15.382 -11.476 1.00 20.00 H new ATOM 0 HE1 MET A 56 -28.636 -11.267 -12.146 1.00 20.00 H new ATOM 0 HE2 MET A 56 -26.859 -11.370 -12.154 1.00 20.00 H new ATOM 0 HE3 MET A 56 -27.808 -12.257 -13.371 1.00 20.00 H new ATOM 1031 N ARG A 57 -24.866 -17.061 -12.923 1.00 20.00 N ATOM 1032 CA ARG A 57 -24.958 -18.457 -12.514 1.00 20.00 C ATOM 1033 C ARG A 57 -23.682 -19.200 -12.896 1.00 20.00 C ATOM 1034 O ARG A 57 -23.144 -19.983 -12.113 1.00 20.00 O ATOM 1035 CB ARG A 57 -26.172 -19.119 -13.170 1.00 20.00 C ATOM 1036 CG ARG A 57 -26.426 -20.544 -12.711 1.00 20.00 C ATOM 1037 CD ARG A 57 -27.614 -21.149 -13.439 1.00 20.00 C ATOM 1038 NE ARG A 57 -27.892 -22.516 -13.005 1.00 20.00 N ATOM 1039 CZ ARG A 57 -28.319 -23.483 -13.817 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -28.455 -23.253 -15.117 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -28.591 -24.686 -13.328 1.00 20.00 N ATOM 0 H ARG A 57 -25.309 -16.856 -13.819 1.00 20.00 H new ATOM 0 HA ARG A 57 -25.078 -18.500 -11.431 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -27.057 -18.518 -12.961 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -26.034 -19.116 -14.251 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -25.538 -21.151 -12.890 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -26.609 -20.556 -11.637 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -28.495 -20.530 -13.269 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -27.422 -21.143 -14.512 1.00 20.00 H new ATOM 0 HE ARG A 57 -27.751 -22.744 -12.021 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -28.232 -22.333 -15.498 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -28.782 -23.996 -15.735 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -28.473 -24.870 -12.332 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -28.918 -25.427 -13.948 1.00 20.00 H new