USER MOD reduce.3.24.130724 H: found=0, std=0, add=252, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 254 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.054 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= -0.0655 (180deg=-0.329) USER MOD Single : A 42 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4.2!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= -0.314 (180deg=-1.26!) USER MOD Single : A 56 MET CE :methyl -120:sc= -0.543 (180deg=-1.92!) USER MOD ----------------------------------------------------------------- ATOM 364 N GLU A 16 -28.641 -1.329 -0.903 1.00 20.00 N ATOM 365 CA GLU A 16 -28.259 -2.733 -0.977 1.00 20.00 C ATOM 366 C GLU A 16 -27.294 -3.095 0.148 1.00 20.00 C ATOM 367 O GLU A 16 -27.410 -4.157 0.754 1.00 20.00 O ATOM 368 CB GLU A 16 -27.612 -3.055 -2.328 1.00 20.00 C ATOM 369 CG GLU A 16 -27.310 -4.537 -2.510 1.00 20.00 C ATOM 370 CD GLU A 16 -26.424 -4.826 -3.703 1.00 20.00 C ATOM 371 OE1 GLU A 16 -26.942 -4.930 -4.831 1.00 20.00 O ATOM 372 OE2 GLU A 16 -25.197 -4.966 -3.515 1.00 20.00 O ATOM 0 HA GLU A 16 -29.168 -3.325 -0.870 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -28.274 -2.725 -3.129 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -26.686 -2.487 -2.425 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -26.828 -4.916 -1.608 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -28.248 -5.081 -2.623 1.00 20.00 H new ATOM 379 N GLN A 17 -26.367 -2.187 0.444 1.00 20.00 N ATOM 380 CA GLN A 17 -25.287 -2.459 1.395 1.00 20.00 C ATOM 381 C GLN A 17 -25.831 -2.832 2.772 1.00 20.00 C ATOM 382 O GLN A 17 -25.266 -3.680 3.462 1.00 20.00 O ATOM 383 CB GLN A 17 -24.361 -1.244 1.525 1.00 20.00 C ATOM 384 CG GLN A 17 -23.640 -0.866 0.239 1.00 20.00 C ATOM 385 CD GLN A 17 -22.924 0.469 0.345 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.494 1.515 0.039 1.00 20.00 O ATOM 387 NE2 GLN A 17 -21.675 0.448 0.784 1.00 20.00 N ATOM 0 H GLN A 17 -26.341 -1.252 0.038 1.00 20.00 H new ATOM 0 HA GLN A 17 -24.722 -3.306 1.006 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -24.947 -0.390 1.864 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -23.619 -1.448 2.297 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -22.918 -1.643 -0.011 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -24.360 -0.825 -0.579 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -21.235 -0.439 1.028 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -21.153 1.319 0.878 1.00 20.00 H new ATOM 396 N GLU A 18 -26.932 -2.204 3.161 1.00 20.00 N ATOM 397 CA GLU A 18 -27.521 -2.447 4.473 1.00 20.00 C ATOM 398 C GLU A 18 -28.172 -3.829 4.521 1.00 20.00 C ATOM 399 O GLU A 18 -27.966 -4.594 5.462 1.00 20.00 O ATOM 400 CB GLU A 18 -28.551 -1.361 4.807 1.00 20.00 C ATOM 401 CG GLU A 18 -29.012 -1.378 6.256 1.00 20.00 C ATOM 402 CD GLU A 18 -27.870 -1.155 7.225 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.300 -0.046 7.229 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.529 -2.091 7.978 1.00 20.00 O ATOM 0 H GLU A 18 -27.435 -1.525 2.590 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.726 -2.413 5.218 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.121 -0.385 4.584 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -29.418 -1.484 4.158 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -29.767 -0.606 6.404 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -29.488 -2.335 6.472 1.00 20.00 H new ATOM 411 N ASN A 19 -28.932 -4.155 3.484 1.00 20.00 N ATOM 412 CA ASN A 19 -29.632 -5.435 3.426 1.00 20.00 C ATOM 413 C ASN A 19 -28.653 -6.572 3.185 1.00 20.00 C ATOM 414 O ASN A 19 -28.857 -7.695 3.653 1.00 20.00 O ATOM 415 CB ASN A 19 -30.708 -5.429 2.334 1.00 20.00 C ATOM 416 CG ASN A 19 -31.892 -4.553 2.693 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.828 -5.003 3.354 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.873 -3.304 2.252 1.00 20.00 N ATOM 0 H ASN A 19 -29.080 -3.554 2.673 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.120 -5.588 4.388 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.271 -5.079 1.399 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.053 -6.449 2.162 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.652 -2.679 2.457 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.079 -2.968 1.707 1.00 20.00 H new ATOM 425 N SER A 20 -27.576 -6.271 2.476 1.00 20.00 N ATOM 426 CA SER A 20 -26.561 -7.263 2.172 1.00 20.00 C ATOM 427 C SER A 20 -25.778 -7.637 3.429 1.00 20.00 C ATOM 428 O SER A 20 -25.160 -8.701 3.493 1.00 20.00 O ATOM 429 CB SER A 20 -25.608 -6.744 1.087 1.00 20.00 C ATOM 430 OG SER A 20 -24.651 -7.726 0.726 1.00 20.00 O ATOM 0 H SER A 20 -27.384 -5.343 2.100 1.00 20.00 H new ATOM 0 HA SER A 20 -27.061 -8.157 1.798 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.181 -6.451 0.207 1.00 20.00 H new ATOM 0 HB3 SER A 20 -25.097 -5.851 1.446 1.00 20.00 H new ATOM 0 HG SER A 20 -24.059 -7.367 0.032 1.00 20.00 H new ATOM 436 N TYR A 21 -25.819 -6.766 4.427 1.00 20.00 N ATOM 437 CA TYR A 21 -25.115 -7.012 5.675 1.00 20.00 C ATOM 438 C TYR A 21 -25.928 -7.939 6.574 1.00 20.00 C ATOM 439 O TYR A 21 -25.372 -8.733 7.329 1.00 20.00 O ATOM 440 CB TYR A 21 -24.830 -5.690 6.395 1.00 20.00 C ATOM 441 CG TYR A 21 -23.914 -5.830 7.593 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.542 -5.962 7.424 1.00 20.00 C ATOM 443 CD2 TYR A 21 -24.417 -5.833 8.890 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.698 -6.093 8.509 1.00 20.00 C ATOM 445 CE2 TYR A 21 -23.578 -5.962 9.981 1.00 20.00 C ATOM 446 CZ TYR A 21 -22.219 -6.092 9.785 1.00 20.00 C ATOM 447 OH TYR A 21 -21.377 -6.224 10.868 1.00 20.00 O ATOM 0 H TYR A 21 -26.332 -5.885 4.396 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.166 -7.497 5.446 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.383 -4.991 5.688 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.774 -5.254 6.721 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.128 -5.962 6.427 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -25.481 -5.733 9.047 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.634 -6.196 8.358 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -23.985 -5.961 10.982 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.902 -6.203 11.695 1.00 20.00 H new ATOM 457 N ASN A 22 -27.247 -7.832 6.489 1.00 20.00 N ATOM 458 CA ASN A 22 -28.130 -8.665 7.301 1.00 20.00 C ATOM 459 C ASN A 22 -28.500 -9.959 6.582 1.00 20.00 C ATOM 460 O ASN A 22 -28.263 -11.051 7.091 1.00 20.00 O ATOM 461 CB ASN A 22 -29.403 -7.898 7.686 1.00 20.00 C ATOM 462 CG ASN A 22 -30.390 -8.760 8.462 1.00 20.00 C ATOM 463 OD1 ASN A 22 -30.289 -8.893 9.682 1.00 20.00 O ATOM 464 ND2 ASN A 22 -31.363 -9.338 7.765 1.00 20.00 N ATOM 0 H ASN A 22 -27.729 -7.181 5.870 1.00 20.00 H new ATOM 0 HA ASN A 22 -27.584 -8.924 8.208 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.133 -7.030 8.287 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.885 -7.523 6.783 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -32.058 -9.914 8.240 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -31.415 -9.205 6.755 1.00 20.00 H new ATOM 471 N GLU A 23 -29.064 -9.829 5.391 1.00 20.00 N ATOM 472 CA GLU A 23 -29.640 -10.971 4.694 1.00 20.00 C ATOM 473 C GLU A 23 -28.611 -11.662 3.807 1.00 20.00 C ATOM 474 O GLU A 23 -28.350 -12.856 3.959 1.00 20.00 O ATOM 475 CB GLU A 23 -30.840 -10.522 3.860 1.00 20.00 C ATOM 476 CG GLU A 23 -31.578 -11.664 3.186 1.00 20.00 C ATOM 477 CD GLU A 23 -32.739 -11.181 2.347 1.00 20.00 C ATOM 478 OE1 GLU A 23 -33.851 -11.022 2.898 1.00 20.00 O ATOM 479 OE2 GLU A 23 -32.547 -10.955 1.135 1.00 20.00 O ATOM 0 H GLU A 23 -29.136 -8.945 4.886 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.970 -11.691 5.443 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -31.535 -9.981 4.502 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -30.499 -9.821 3.098 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.884 -12.220 2.556 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -31.944 -12.355 3.945 1.00 20.00 H new ATOM 486 N TRP A 24 -28.011 -10.904 2.894 1.00 20.00 N ATOM 487 CA TRP A 24 -27.090 -11.475 1.916 1.00 20.00 C ATOM 488 C TRP A 24 -25.841 -12.028 2.597 1.00 20.00 C ATOM 489 O TRP A 24 -25.131 -12.851 2.027 1.00 20.00 O ATOM 490 CB TRP A 24 -26.703 -10.444 0.855 1.00 20.00 C ATOM 491 CG TRP A 24 -25.925 -11.034 -0.279 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.582 -10.936 -0.488 1.00 20.00 C ATOM 493 CD2 TRP A 24 -26.443 -11.830 -1.350 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.231 -11.623 -1.622 1.00 20.00 N ATOM 495 CE2 TRP A 24 -25.357 -12.179 -2.171 1.00 20.00 C ATOM 496 CE3 TRP A 24 -27.720 -12.282 -1.692 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -25.508 -12.959 -3.315 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -27.870 -13.055 -2.827 1.00 20.00 C ATOM 499 CH2 TRP A 24 -26.769 -13.388 -3.627 1.00 20.00 C ATOM 0 H TRP A 24 -28.145 -9.896 2.811 1.00 20.00 H new ATOM 0 HA TRP A 24 -27.606 -12.298 1.421 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -27.607 -9.977 0.464 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -26.113 -9.655 1.321 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -23.895 -10.396 0.146 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -23.286 -11.707 -1.996 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -28.574 -12.032 -1.080 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -24.660 -13.216 -3.933 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -28.853 -13.409 -3.102 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -26.919 -13.995 -4.507 1.00 20.00 H new ATOM 510 N LEU A 25 -25.586 -11.581 3.820 1.00 20.00 N ATOM 511 CA LEU A 25 -24.461 -12.079 4.605 1.00 20.00 C ATOM 512 C LEU A 25 -24.514 -13.601 4.700 1.00 20.00 C ATOM 513 O LEU A 25 -23.485 -14.275 4.670 1.00 20.00 O ATOM 514 CB LEU A 25 -24.489 -11.478 6.012 1.00 20.00 C ATOM 515 CG LEU A 25 -23.311 -11.865 6.907 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.026 -11.215 6.415 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.589 -11.479 8.350 1.00 20.00 C ATOM 0 H LEU A 25 -26.145 -10.871 4.293 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.537 -11.784 4.107 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.518 -10.392 5.926 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.413 -11.784 6.502 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.185 -12.947 6.859 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.200 -11.503 7.066 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.818 -11.545 5.397 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -22.138 -10.131 6.429 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.740 -11.762 8.972 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.744 -10.402 8.415 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.483 -11.996 8.699 1.00 20.00 H new ATOM 529 N ARG A 26 -25.728 -14.127 4.782 1.00 20.00 N ATOM 530 CA ARG A 26 -25.947 -15.558 4.921 1.00 20.00 C ATOM 531 C ARG A 26 -25.706 -16.277 3.595 1.00 20.00 C ATOM 532 O ARG A 26 -25.331 -17.451 3.569 1.00 20.00 O ATOM 533 CB ARG A 26 -27.375 -15.810 5.408 1.00 20.00 C ATOM 534 CG ARG A 26 -27.721 -15.054 6.682 1.00 20.00 C ATOM 535 CD ARG A 26 -29.199 -15.163 7.021 1.00 20.00 C ATOM 536 NE ARG A 26 -29.548 -14.380 8.206 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.792 -14.035 8.533 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.811 -14.380 7.752 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.015 -13.329 9.633 1.00 20.00 N ATOM 0 H ARG A 26 -26.585 -13.575 4.754 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.240 -15.952 5.651 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.075 -15.523 4.623 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.509 -16.878 5.580 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.129 -15.446 7.509 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -27.451 -14.004 6.566 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.792 -14.821 6.173 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.456 -16.209 7.189 1.00 20.00 H new ATOM 0 HE ARG A 26 -28.791 -14.079 8.820 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.642 -14.911 6.898 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.762 -14.113 8.007 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.234 -13.051 10.227 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -31.967 -13.064 9.885 1.00 20.00 H new ATOM 553 N ALA A 27 -25.908 -15.562 2.496 1.00 20.00 N ATOM 554 CA ALA A 27 -25.715 -16.122 1.164 1.00 20.00 C ATOM 555 C ALA A 27 -24.272 -15.952 0.712 1.00 20.00 C ATOM 556 O ALA A 27 -23.774 -16.700 -0.130 1.00 20.00 O ATOM 557 CB ALA A 27 -26.651 -15.453 0.173 1.00 20.00 C ATOM 0 H ALA A 27 -26.207 -14.587 2.501 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.942 -17.187 1.205 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -26.497 -15.880 -0.818 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -27.684 -15.615 0.482 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -26.445 -14.383 0.143 1.00 20.00 H new ATOM 563 N LYS A 28 -23.605 -14.965 1.288 1.00 20.00 N ATOM 564 CA LYS A 28 -22.227 -14.651 0.940 1.00 20.00 C ATOM 565 C LYS A 28 -21.280 -15.719 1.484 1.00 20.00 C ATOM 566 O LYS A 28 -20.141 -15.845 1.036 1.00 20.00 O ATOM 567 CB LYS A 28 -21.860 -13.268 1.487 1.00 20.00 C ATOM 568 CG LYS A 28 -20.498 -12.761 1.041 1.00 20.00 C ATOM 569 CD LYS A 28 -20.189 -11.408 1.658 1.00 20.00 C ATOM 570 CE LYS A 28 -18.907 -10.813 1.094 1.00 20.00 C ATOM 571 NZ LYS A 28 -19.014 -10.549 -0.366 1.00 20.00 N ATOM 0 H LYS A 28 -24.001 -14.360 2.008 1.00 20.00 H new ATOM 0 HA LYS A 28 -22.128 -14.637 -0.145 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -22.621 -12.553 1.175 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.883 -13.303 2.576 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.728 -13.478 1.326 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -20.474 -12.683 -0.046 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -21.019 -10.726 1.474 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.097 -11.513 2.739 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.678 -9.883 1.615 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.078 -11.495 1.280 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -18.259 -9.896 -0.657 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -18.918 -11.443 -0.888 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -19.940 -10.123 -0.575 1.00 20.00 H new ATOM 585 N VAL A 29 -21.768 -16.495 2.446 1.00 20.00 N ATOM 586 CA VAL A 29 -20.995 -17.595 3.009 1.00 20.00 C ATOM 587 C VAL A 29 -20.873 -18.728 1.990 1.00 20.00 C ATOM 588 O VAL A 29 -19.970 -19.567 2.064 1.00 20.00 O ATOM 589 CB VAL A 29 -21.640 -18.139 4.307 1.00 20.00 C ATOM 590 CG1 VAL A 29 -20.762 -19.198 4.952 1.00 20.00 C ATOM 591 CG2 VAL A 29 -21.917 -17.015 5.290 1.00 20.00 C ATOM 0 H VAL A 29 -22.697 -16.382 2.852 1.00 20.00 H new ATOM 0 HA VAL A 29 -20.005 -17.209 3.254 1.00 20.00 H new ATOM 0 HB VAL A 29 -22.589 -18.600 4.034 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -21.240 -19.562 5.862 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -20.623 -20.027 4.258 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -19.793 -18.765 5.200 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -22.370 -17.425 6.193 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -20.982 -16.518 5.547 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.598 -16.295 4.837 1.00 20.00 H new ATOM 772 N HIS A 42 -19.778 -35.650 -22.317 1.00 20.00 N ATOM 773 CA HIS A 42 -19.665 -37.062 -22.656 1.00 20.00 C ATOM 774 C HIS A 42 -19.815 -37.268 -24.159 1.00 20.00 C ATOM 775 O HIS A 42 -19.315 -38.249 -24.706 1.00 20.00 O ATOM 776 CB HIS A 42 -20.715 -37.890 -21.908 1.00 20.00 C ATOM 777 CG HIS A 42 -20.508 -39.372 -22.034 1.00 20.00 C ATOM 778 ND1 HIS A 42 -21.088 -40.139 -23.026 1.00 20.00 N ATOM 779 CD2 HIS A 42 -19.763 -40.228 -21.292 1.00 20.00 C ATOM 780 CE1 HIS A 42 -20.710 -41.396 -22.886 1.00 20.00 C ATOM 781 NE2 HIS A 42 -19.906 -41.477 -21.845 1.00 20.00 N ATOM 0 HA HIS A 42 -18.675 -37.400 -22.351 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -20.698 -37.617 -20.853 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -21.705 -37.636 -22.287 1.00 20.00 H new ATOM 0 HD1 HIS A 42 -21.711 -39.789 -23.753 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -19.168 -39.975 -20.427 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -21.009 -42.219 -23.518 1.00 20.00 H new ATOM 790 N ASP A 43 -20.499 -36.333 -24.815 1.00 20.00 N ATOM 791 CA ASP A 43 -20.683 -36.379 -26.267 1.00 20.00 C ATOM 792 C ASP A 43 -19.339 -36.335 -26.986 1.00 20.00 C ATOM 793 O ASP A 43 -19.143 -37.007 -27.994 1.00 20.00 O ATOM 794 CB ASP A 43 -21.567 -35.219 -26.738 1.00 20.00 C ATOM 795 CG ASP A 43 -21.695 -35.154 -28.249 1.00 20.00 C ATOM 796 OD1 ASP A 43 -22.501 -35.922 -28.818 1.00 20.00 O ATOM 797 OD2 ASP A 43 -21.001 -34.324 -28.873 1.00 20.00 O ATOM 0 H ASP A 43 -20.937 -35.530 -24.363 1.00 20.00 H new ATOM 0 HA ASP A 43 -21.178 -37.319 -26.512 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -22.559 -35.322 -26.298 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -21.152 -34.280 -26.372 1.00 20.00 H new ATOM 802 N GLU A 44 -18.407 -35.567 -26.437 1.00 20.00 N ATOM 803 CA GLU A 44 -17.084 -35.433 -27.029 1.00 20.00 C ATOM 804 C GLU A 44 -16.289 -36.718 -26.832 1.00 20.00 C ATOM 805 O GLU A 44 -15.419 -37.063 -27.637 1.00 20.00 O ATOM 806 CB GLU A 44 -16.342 -34.249 -26.404 1.00 20.00 C ATOM 807 CG GLU A 44 -14.963 -34.021 -26.993 1.00 20.00 C ATOM 808 CD GLU A 44 -14.225 -32.875 -26.339 1.00 20.00 C ATOM 809 OE1 GLU A 44 -14.689 -31.720 -26.448 1.00 20.00 O ATOM 810 OE2 GLU A 44 -13.165 -33.122 -25.729 1.00 20.00 O ATOM 0 H GLU A 44 -18.544 -35.027 -25.582 1.00 20.00 H new ATOM 0 HA GLU A 44 -17.194 -35.250 -28.098 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -16.938 -33.346 -26.535 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -16.247 -34.415 -25.331 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -14.374 -34.932 -26.889 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -15.058 -33.823 -28.061 1.00 20.00 H new ATOM 817 N VAL A 45 -16.604 -37.422 -25.756 1.00 20.00 N ATOM 818 CA VAL A 45 -15.949 -38.681 -25.443 1.00 20.00 C ATOM 819 C VAL A 45 -16.491 -39.796 -26.327 1.00 20.00 C ATOM 820 O VAL A 45 -15.729 -40.501 -26.985 1.00 20.00 O ATOM 821 CB VAL A 45 -16.143 -39.064 -23.961 1.00 20.00 C ATOM 822 CG1 VAL A 45 -15.421 -40.366 -23.638 1.00 20.00 C ATOM 823 CG2 VAL A 45 -15.661 -37.942 -23.057 1.00 20.00 C ATOM 0 H VAL A 45 -17.315 -37.140 -25.081 1.00 20.00 H new ATOM 0 HA VAL A 45 -14.883 -38.550 -25.631 1.00 20.00 H new ATOM 0 HB VAL A 45 -17.207 -39.217 -23.783 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -15.572 -40.615 -22.588 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -15.818 -41.167 -24.262 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -14.355 -40.249 -23.833 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -15.805 -38.227 -22.015 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -14.603 -37.757 -23.240 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -16.230 -37.036 -23.267 1.00 20.00 H new ATOM 833 N GLU A 46 -17.814 -39.925 -26.363 1.00 20.00 N ATOM 834 CA GLU A 46 -18.463 -40.993 -27.120 1.00 20.00 C ATOM 835 C GLU A 46 -18.331 -40.771 -28.622 1.00 20.00 C ATOM 836 O GLU A 46 -18.496 -41.704 -29.412 1.00 20.00 O ATOM 837 CB GLU A 46 -19.935 -41.123 -26.724 1.00 20.00 C ATOM 838 CG GLU A 46 -20.743 -39.855 -26.909 1.00 20.00 C ATOM 839 CD GLU A 46 -22.170 -40.017 -26.443 1.00 20.00 C ATOM 840 OE1 GLU A 46 -22.988 -40.564 -27.210 1.00 20.00 O ATOM 841 OE2 GLU A 46 -22.476 -39.611 -25.300 1.00 20.00 O ATOM 0 H GLU A 46 -18.459 -39.303 -25.876 1.00 20.00 H new ATOM 0 HA GLU A 46 -17.955 -41.925 -26.874 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -20.389 -41.919 -27.314 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -19.993 -41.428 -25.679 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -20.272 -39.042 -26.357 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -20.736 -39.572 -27.961 1.00 20.00 H new ATOM 848 N ARG A 47 -18.037 -39.535 -29.011 1.00 20.00 N ATOM 849 CA ARG A 47 -17.763 -39.213 -30.405 1.00 20.00 C ATOM 850 C ARG A 47 -16.603 -40.071 -30.908 1.00 20.00 C ATOM 851 O ARG A 47 -16.572 -40.474 -32.072 1.00 20.00 O ATOM 852 CB ARG A 47 -17.446 -37.714 -30.551 1.00 20.00 C ATOM 853 CG ARG A 47 -17.394 -37.200 -31.990 1.00 20.00 C ATOM 854 CD ARG A 47 -16.056 -37.479 -32.663 1.00 20.00 C ATOM 855 NE ARG A 47 -16.035 -37.035 -34.057 1.00 20.00 N ATOM 856 CZ ARG A 47 -14.921 -36.891 -34.774 1.00 20.00 C ATOM 857 NH1 ARG A 47 -13.737 -37.147 -34.231 1.00 20.00 N ATOM 858 NH2 ARG A 47 -14.991 -36.501 -36.041 1.00 20.00 N ATOM 0 H ARG A 47 -17.982 -38.738 -28.377 1.00 20.00 H new ATOM 0 HA ARG A 47 -18.644 -39.430 -31.009 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -18.198 -37.144 -30.005 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -16.486 -37.513 -30.075 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -18.192 -37.667 -32.568 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -17.583 -36.126 -31.996 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -15.262 -36.976 -32.111 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -15.846 -38.548 -32.621 1.00 20.00 H new ATOM 0 HE ARG A 47 -16.926 -36.823 -34.507 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -13.677 -37.456 -33.261 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -12.887 -37.035 -34.784 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -15.898 -36.311 -36.467 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -14.138 -36.391 -36.589 1.00 20.00 H new ATOM 872 N ARG A 48 -15.665 -40.371 -30.011 1.00 20.00 N ATOM 873 CA ARG A 48 -14.535 -41.224 -30.348 1.00 20.00 C ATOM 874 C ARG A 48 -15.021 -42.615 -30.730 1.00 20.00 C ATOM 875 O ARG A 48 -14.577 -43.182 -31.723 1.00 20.00 O ATOM 876 CB ARG A 48 -13.554 -41.339 -29.179 1.00 20.00 C ATOM 877 CG ARG A 48 -12.938 -40.022 -28.731 1.00 20.00 C ATOM 878 CD ARG A 48 -11.806 -40.259 -27.741 1.00 20.00 C ATOM 879 NE ARG A 48 -10.728 -41.050 -28.335 1.00 20.00 N ATOM 880 CZ ARG A 48 -9.808 -41.718 -27.640 1.00 20.00 C ATOM 881 NH1 ARG A 48 -9.803 -41.682 -26.313 1.00 20.00 N ATOM 882 NH2 ARG A 48 -8.882 -42.417 -28.279 1.00 20.00 N ATOM 0 H ARG A 48 -15.668 -40.035 -29.048 1.00 20.00 H new ATOM 0 HA ARG A 48 -14.019 -40.767 -31.192 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -14.072 -41.789 -28.332 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -12.752 -42.021 -29.462 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -12.560 -39.479 -29.598 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -13.703 -39.396 -28.271 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -11.411 -39.301 -27.403 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -12.193 -40.773 -26.861 1.00 20.00 H new ATOM 0 HE ARG A 48 -10.677 -41.093 -29.353 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -10.508 -41.139 -25.815 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -9.094 -42.197 -25.792 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -8.875 -42.442 -29.299 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -8.176 -42.930 -27.751 1.00 20.00 H new ATOM 896 N MET A 49 -15.949 -43.151 -29.942 1.00 20.00 N ATOM 897 CA MET A 49 -16.487 -44.487 -30.179 1.00 20.00 C ATOM 898 C MET A 49 -17.277 -44.527 -31.482 1.00 20.00 C ATOM 899 O MET A 49 -17.312 -45.550 -32.169 1.00 20.00 O ATOM 900 CB MET A 49 -17.377 -44.938 -29.014 1.00 20.00 C ATOM 901 CG MET A 49 -16.634 -45.132 -27.699 1.00 20.00 C ATOM 902 SD MET A 49 -16.085 -43.579 -26.962 1.00 20.00 S ATOM 903 CE MET A 49 -15.164 -44.173 -25.547 1.00 20.00 C ATOM 0 H MET A 49 -16.346 -42.678 -29.130 1.00 20.00 H new ATOM 0 HA MET A 49 -15.644 -45.174 -30.256 1.00 20.00 H new ATOM 0 HB2 MET A 49 -18.166 -44.200 -28.867 1.00 20.00 H new ATOM 0 HB3 MET A 49 -17.864 -45.875 -29.285 1.00 20.00 H new ATOM 0 HG2 MET A 49 -17.283 -45.652 -26.995 1.00 20.00 H new ATOM 0 HG3 MET A 49 -15.769 -45.773 -27.868 1.00 20.00 H new ATOM 0 HE1 MET A 49 -14.763 -43.325 -24.992 1.00 20.00 H new ATOM 0 HE2 MET A 49 -15.824 -44.751 -24.900 1.00 20.00 H new ATOM 0 HE3 MET A 49 -14.344 -44.806 -25.886 1.00 20.00 H new ATOM 913 N ALA A 50 -17.904 -43.409 -31.819 1.00 20.00 N ATOM 914 CA ALA A 50 -18.631 -43.291 -33.075 1.00 20.00 C ATOM 915 C ALA A 50 -17.686 -43.438 -34.261 1.00 20.00 C ATOM 916 O ALA A 50 -17.935 -44.223 -35.179 1.00 20.00 O ATOM 917 CB ALA A 50 -19.362 -41.960 -33.134 1.00 20.00 C ATOM 0 H ALA A 50 -17.924 -42.570 -31.240 1.00 20.00 H new ATOM 0 HA ALA A 50 -19.366 -44.094 -33.127 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -19.902 -41.883 -34.078 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -20.068 -41.895 -32.306 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -18.641 -41.146 -33.061 1.00 20.00 H new ATOM 923 N GLU A 51 -16.588 -42.698 -34.226 1.00 20.00 N ATOM 924 CA GLU A 51 -15.596 -42.751 -35.294 1.00 20.00 C ATOM 925 C GLU A 51 -14.775 -44.032 -35.199 1.00 20.00 C ATOM 926 O GLU A 51 -14.153 -44.465 -36.172 1.00 20.00 O ATOM 927 CB GLU A 51 -14.682 -41.529 -35.232 1.00 20.00 C ATOM 928 CG GLU A 51 -15.404 -40.219 -35.502 1.00 20.00 C ATOM 929 CD GLU A 51 -16.139 -40.222 -36.826 1.00 20.00 C ATOM 930 OE1 GLU A 51 -15.504 -40.516 -37.862 1.00 20.00 O ATOM 931 OE2 GLU A 51 -17.353 -39.919 -36.838 1.00 20.00 O ATOM 0 H GLU A 51 -16.360 -42.053 -33.470 1.00 20.00 H new ATOM 0 HA GLU A 51 -16.119 -42.747 -36.250 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -14.217 -41.482 -34.247 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -13.878 -41.649 -35.959 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -16.113 -40.027 -34.697 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -14.682 -39.402 -35.493 1.00 20.00 H new ATOM 938 N ARG A 52 -14.784 -44.626 -34.016 1.00 20.00 N ATOM 939 CA ARG A 52 -14.126 -45.900 -33.778 1.00 20.00 C ATOM 940 C ARG A 52 -14.846 -47.008 -34.533 1.00 20.00 C ATOM 941 O ARG A 52 -14.214 -47.896 -35.098 1.00 20.00 O ATOM 942 CB ARG A 52 -14.109 -46.201 -32.279 1.00 20.00 C ATOM 943 CG ARG A 52 -13.439 -47.510 -31.904 1.00 20.00 C ATOM 944 CD ARG A 52 -13.496 -47.736 -30.402 1.00 20.00 C ATOM 945 NE ARG A 52 -12.861 -46.645 -29.661 1.00 20.00 N ATOM 946 CZ ARG A 52 -12.654 -46.656 -28.345 1.00 20.00 C ATOM 947 NH1 ARG A 52 -13.036 -47.699 -27.616 1.00 20.00 N ATOM 948 NH2 ARG A 52 -12.064 -45.619 -27.761 1.00 20.00 N ATOM 0 H ARG A 52 -15.248 -44.238 -33.194 1.00 20.00 H new ATOM 0 HA ARG A 52 -13.099 -45.846 -34.138 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -13.599 -45.387 -31.764 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -15.136 -46.216 -31.913 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -13.930 -48.336 -32.419 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -12.401 -47.500 -32.235 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -14.536 -47.831 -30.088 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -13.002 -48.676 -30.157 1.00 20.00 H new ATOM 0 HE ARG A 52 -12.558 -45.824 -30.185 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -13.490 -48.495 -28.064 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -12.876 -47.703 -26.609 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -11.771 -44.818 -28.320 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -11.904 -45.624 -26.754 1.00 20.00 H new ATOM 962 N PHE A 53 -16.171 -46.938 -34.546 1.00 20.00 N ATOM 963 CA PHE A 53 -16.985 -47.906 -35.272 1.00 20.00 C ATOM 964 C PHE A 53 -16.870 -47.660 -36.774 1.00 20.00 C ATOM 965 O PHE A 53 -17.019 -48.574 -37.588 1.00 20.00 O ATOM 966 CB PHE A 53 -18.446 -47.803 -34.820 1.00 20.00 C ATOM 967 CG PHE A 53 -19.340 -48.865 -35.400 1.00 20.00 C ATOM 968 CD1 PHE A 53 -19.262 -50.177 -34.956 1.00 20.00 C ATOM 969 CD2 PHE A 53 -20.260 -48.549 -36.388 1.00 20.00 C ATOM 970 CE1 PHE A 53 -20.082 -51.153 -35.490 1.00 20.00 C ATOM 971 CE2 PHE A 53 -21.082 -49.521 -36.924 1.00 20.00 C ATOM 972 CZ PHE A 53 -20.995 -50.824 -36.474 1.00 20.00 C ATOM 0 H PHE A 53 -16.707 -46.219 -34.060 1.00 20.00 H new ATOM 0 HA PHE A 53 -16.625 -48.912 -35.056 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -18.485 -47.864 -33.732 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -18.834 -46.823 -35.099 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -18.553 -50.439 -34.185 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -20.335 -47.532 -36.742 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -20.009 -52.172 -35.139 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -21.793 -49.262 -37.695 1.00 20.00 H new ATOM 0 HZ PHE A 53 -21.639 -51.584 -36.890 1.00 20.00 H new ATOM 982 N ALA A 54 -16.577 -46.415 -37.127 1.00 20.00 N ATOM 983 CA ALA A 54 -16.393 -46.028 -38.518 1.00 20.00 C ATOM 984 C ALA A 54 -15.022 -46.463 -39.027 1.00 20.00 C ATOM 985 O ALA A 54 -14.686 -46.260 -40.191 1.00 20.00 O ATOM 986 CB ALA A 54 -16.562 -44.528 -38.668 1.00 20.00 C ATOM 0 H ALA A 54 -16.461 -45.651 -36.462 1.00 20.00 H new ATOM 0 HA ALA A 54 -17.151 -46.531 -39.118 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -16.422 -44.249 -39.712 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -17.563 -44.241 -38.346 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -15.822 -44.015 -38.053 1.00 20.00 H new ATOM 992 N LYS A 55 -14.237 -47.071 -38.144 1.00 20.00 N ATOM 993 CA LYS A 55 -12.923 -47.594 -38.502 1.00 20.00 C ATOM 994 C LYS A 55 -13.048 -48.678 -39.568 1.00 20.00 C ATOM 995 O LYS A 55 -12.132 -48.900 -40.351 1.00 20.00 O ATOM 996 CB LYS A 55 -12.216 -48.151 -37.259 1.00 20.00 C ATOM 997 CG LYS A 55 -10.894 -48.847 -37.552 1.00 20.00 C ATOM 998 CD LYS A 55 -10.143 -49.238 -36.285 1.00 20.00 C ATOM 999 CE LYS A 55 -10.894 -50.265 -35.441 1.00 20.00 C ATOM 1000 NZ LYS A 55 -11.889 -49.640 -34.523 1.00 20.00 N ATOM 0 H LYS A 55 -14.491 -47.215 -37.167 1.00 20.00 H new ATOM 0 HA LYS A 55 -12.327 -46.777 -38.909 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -12.036 -47.334 -36.560 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -12.882 -48.856 -36.761 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -11.082 -49.740 -38.148 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -10.267 -48.189 -38.153 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -9.168 -49.642 -36.557 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -9.962 -48.345 -35.686 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -11.405 -50.967 -36.100 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -10.178 -50.841 -34.855 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -11.744 -49.998 -33.558 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -11.768 -48.607 -34.531 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -12.851 -49.878 -34.839 1.00 20.00 H new ATOM 1014 N MET A 56 -14.206 -49.327 -39.606 1.00 20.00 N ATOM 1015 CA MET A 56 -14.459 -50.407 -40.559 1.00 20.00 C ATOM 1016 C MET A 56 -14.558 -49.882 -41.985 1.00 20.00 C ATOM 1017 O MET A 56 -14.483 -50.652 -42.945 1.00 20.00 O ATOM 1018 CB MET A 56 -15.740 -51.157 -40.195 1.00 20.00 C ATOM 1019 CG MET A 56 -15.656 -51.938 -38.890 1.00 20.00 C ATOM 1020 SD MET A 56 -14.375 -53.211 -38.909 1.00 20.00 S ATOM 1021 CE MET A 56 -12.964 -52.319 -38.252 1.00 20.00 C ATOM 0 H MET A 56 -14.990 -49.124 -38.985 1.00 20.00 H new ATOM 0 HA MET A 56 -13.614 -51.093 -40.505 1.00 20.00 H new ATOM 0 HB2 MET A 56 -16.559 -50.442 -40.125 1.00 20.00 H new ATOM 0 HB3 MET A 56 -15.986 -51.846 -41.003 1.00 20.00 H new ATOM 0 HG2 MET A 56 -15.460 -51.246 -38.071 1.00 20.00 H new ATOM 0 HG3 MET A 56 -16.621 -52.404 -38.690 1.00 20.00 H new ATOM 0 HE1 MET A 56 -12.160 -52.317 -38.988 1.00 20.00 H new ATOM 0 HE2 MET A 56 -13.254 -51.292 -38.029 1.00 20.00 H new ATOM 0 HE3 MET A 56 -12.619 -52.805 -37.339 1.00 20.00 H new ATOM 1031 N ARG A 57 -14.727 -48.573 -42.118 1.00 20.00 N ATOM 1032 CA ARG A 57 -14.786 -47.930 -43.424 1.00 20.00 C ATOM 1033 C ARG A 57 -13.474 -48.142 -44.177 1.00 20.00 C ATOM 1034 O ARG A 57 -13.468 -48.467 -45.367 1.00 20.00 O ATOM 1035 CB ARG A 57 -15.063 -46.434 -43.252 1.00 20.00 C ATOM 1036 CG ARG A 57 -15.113 -45.658 -44.557 1.00 20.00 C ATOM 1037 CD ARG A 57 -15.255 -44.165 -44.306 1.00 20.00 C ATOM 1038 NE ARG A 57 -15.137 -43.396 -45.541 1.00 20.00 N ATOM 1039 CZ ARG A 57 -14.957 -42.077 -45.585 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -14.894 -41.370 -44.462 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -14.841 -41.464 -46.754 1.00 20.00 N ATOM 0 H ARG A 57 -14.826 -47.932 -41.331 1.00 20.00 H new ATOM 0 HA ARG A 57 -15.594 -48.376 -44.004 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -16.012 -46.309 -42.731 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -14.290 -46.003 -42.615 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -14.206 -45.848 -45.131 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -15.951 -46.009 -45.160 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -16.221 -43.964 -43.843 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -14.490 -43.840 -43.601 1.00 20.00 H new ATOM 0 HE ARG A 57 -15.196 -43.900 -46.426 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -14.984 -41.837 -43.560 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -14.756 -40.360 -44.502 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -14.890 -42.002 -47.619 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -14.703 -40.454 -46.789 1.00 20.00 H new