USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 267 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 29 GLN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.466 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.206 USER MOD Single : A 37 ASN : amide:sc= 0.982 K(o=0.98,f=-0.0018) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.54 USER MOD Single : A 59 ASN : amide:sc=-0.00123 X(o=-0.0012,f=-0.023) USER MOD Single : A 61 MET CE :methyl 177:sc= 0 (180deg=-0.0235) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.280 31.111 -29.540 1.00 0.00 N ATOM 438 CA GLN A 29 -14.231 32.359 -28.774 1.00 0.00 C ATOM 439 C GLN A 29 -14.139 32.029 -27.282 1.00 0.00 C ATOM 440 O GLN A 29 -15.097 31.554 -26.677 1.00 0.00 O ATOM 441 CB GLN A 29 -15.491 33.216 -29.014 1.00 0.00 C ATOM 442 CG GLN A 29 -15.819 33.528 -30.484 1.00 0.00 C ATOM 443 CD GLN A 29 -17.179 32.973 -30.889 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.050 33.672 -31.389 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.399 31.693 -30.679 1.00 0.00 N ATOM 0 HA GLN A 29 -13.358 32.924 -29.101 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.345 32.704 -28.572 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.373 34.159 -28.480 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.806 34.607 -30.639 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.047 33.104 -31.127 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.672 31.112 -30.262 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.297 31.281 -30.933 1.00 0.00 H new ATOM 454 N ILE A 30 -12.990 32.282 -26.672 1.00 0.00 N ATOM 455 CA ILE A 30 -12.804 32.156 -25.223 1.00 0.00 C ATOM 456 C ILE A 30 -13.236 33.479 -24.576 1.00 0.00 C ATOM 457 O ILE A 30 -12.525 34.483 -24.670 1.00 0.00 O ATOM 458 CB ILE A 30 -11.345 31.793 -24.863 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.735 30.679 -25.743 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.280 31.423 -23.369 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.548 29.388 -25.841 1.00 0.00 C ATOM 0 H ILE A 30 -12.151 32.583 -27.167 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.417 31.340 -24.841 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.732 32.671 -25.065 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.593 31.074 -26.749 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.747 30.435 -25.354 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.255 31.165 -23.102 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.608 32.272 -22.769 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.931 30.570 -23.177 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.027 28.678 -26.483 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.669 28.958 -24.847 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.529 29.607 -26.264 1.00 0.00 H new ATOM 473 N ALA A 31 -14.395 33.491 -23.922 1.00 0.00 N ATOM 474 CA ALA A 31 -14.864 34.618 -23.119 1.00 0.00 C ATOM 475 C ALA A 31 -14.539 34.397 -21.634 1.00 0.00 C ATOM 476 O ALA A 31 -14.356 33.265 -21.180 1.00 0.00 O ATOM 477 CB ALA A 31 -16.361 34.825 -23.371 1.00 0.00 C ATOM 0 H ALA A 31 -15.045 32.705 -23.935 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.345 35.530 -23.414 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.718 35.665 -22.775 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.527 35.034 -24.428 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.905 33.923 -23.090 1.00 0.00 H new ATOM 483 N ARG A 32 -14.480 35.484 -20.864 1.00 0.00 N ATOM 484 CA ARG A 32 -14.321 35.465 -19.402 1.00 0.00 C ATOM 485 C ARG A 32 -15.584 35.980 -18.720 1.00 0.00 C ATOM 486 O ARG A 32 -16.271 36.848 -19.264 1.00 0.00 O ATOM 487 CB ARG A 32 -13.053 36.251 -18.998 1.00 0.00 C ATOM 488 CG ARG A 32 -11.882 35.277 -18.829 1.00 0.00 C ATOM 489 CD ARG A 32 -10.515 35.949 -18.647 1.00 0.00 C ATOM 490 NE ARG A 32 -9.530 34.972 -18.135 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.219 34.961 -18.285 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.566 35.875 -18.944 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.529 33.993 -17.758 1.00 0.00 N ATOM 0 H ARG A 32 -14.543 36.428 -21.245 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.183 34.439 -19.061 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.815 36.994 -19.759 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.228 36.791 -18.068 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.077 34.641 -17.966 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.839 34.626 -19.702 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.173 36.357 -19.598 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.602 36.786 -17.954 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.917 34.201 -17.591 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.069 36.650 -19.376 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.551 35.816 -19.028 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.002 33.255 -17.237 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.515 33.972 -17.866 1.00 0.00 H new ATOM 507 N TYR A 33 -15.861 35.479 -17.516 1.00 0.00 N ATOM 508 CA TYR A 33 -16.974 35.919 -16.670 1.00 0.00 C ATOM 509 C TYR A 33 -16.569 35.975 -15.187 1.00 0.00 C ATOM 510 O TYR A 33 -15.831 35.118 -14.702 1.00 0.00 O ATOM 511 CB TYR A 33 -18.190 35.004 -16.842 1.00 0.00 C ATOM 512 CG TYR A 33 -18.792 34.932 -18.227 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.219 34.120 -19.224 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.969 35.649 -18.497 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.846 34.005 -20.479 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.586 35.551 -19.753 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.051 34.694 -20.730 1.00 0.00 C ATOM 518 OH TYR A 33 -20.739 34.492 -21.880 1.00 0.00 O ATOM 0 H TYR A 33 -15.305 34.738 -17.090 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.241 36.926 -16.991 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.903 33.996 -16.542 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.965 35.334 -16.150 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.301 33.587 -19.027 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.401 36.279 -17.734 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.405 33.390 -21.249 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.470 36.133 -19.969 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.389 35.215 -22.004 1.00 0.00 H new ATOM 528 N ARG A 34 -17.073 36.982 -14.462 1.00 0.00 N ATOM 529 CA ARG A 34 -16.786 37.266 -13.046 1.00 0.00 C ATOM 530 C ARG A 34 -18.003 36.978 -12.169 1.00 0.00 C ATOM 531 O ARG A 34 -19.081 37.512 -12.422 1.00 0.00 O ATOM 532 CB ARG A 34 -16.325 38.727 -12.914 1.00 0.00 C ATOM 533 CG ARG A 34 -15.968 39.094 -11.466 1.00 0.00 C ATOM 534 CD ARG A 34 -15.348 40.494 -11.387 1.00 0.00 C ATOM 535 NE ARG A 34 -13.904 40.453 -11.090 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.260 40.918 -10.037 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.849 41.517 -9.039 1.00 0.00 N ATOM 538 NH2 ARG A 34 -11.970 40.778 -9.999 1.00 0.00 N ATOM 0 H ARG A 34 -17.725 37.655 -14.865 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.988 36.610 -12.698 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.458 38.892 -13.553 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.114 39.389 -13.271 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.864 39.054 -10.846 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.269 38.360 -11.064 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.507 41.013 -12.332 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.859 41.072 -10.616 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.323 40.003 -11.797 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.861 41.646 -9.047 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.298 41.856 -8.251 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.484 40.319 -10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.443 41.127 -9.199 1.00 0.00 H new ATOM 552 N THR A 35 -17.820 36.154 -11.143 1.00 0.00 N ATOM 553 CA THR A 35 -18.869 35.739 -10.192 1.00 0.00 C ATOM 554 C THR A 35 -19.136 36.811 -9.137 1.00 0.00 C ATOM 555 O THR A 35 -18.461 37.842 -9.077 1.00 0.00 O ATOM 556 CB THR A 35 -18.523 34.432 -9.468 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.376 34.618 -8.694 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.299 33.267 -10.410 1.00 0.00 C ATOM 0 H THR A 35 -16.912 35.738 -10.936 1.00 0.00 H new ATOM 0 HA THR A 35 -19.761 35.586 -10.799 1.00 0.00 H new ATOM 0 HB THR A 35 -19.382 34.182 -8.845 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.608 34.781 -9.281 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.058 32.374 -9.833 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.204 33.090 -10.992 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.474 33.497 -11.084 1.00 0.00 H new ATOM 566 N ASP A 36 -20.090 36.550 -8.243 1.00 0.00 N ATOM 567 CA ASP A 36 -20.470 37.504 -7.204 1.00 0.00 C ATOM 568 C ASP A 36 -19.427 37.651 -6.081 1.00 0.00 C ATOM 569 O ASP A 36 -19.437 38.666 -5.379 1.00 0.00 O ATOM 570 CB ASP A 36 -21.857 37.127 -6.666 1.00 0.00 C ATOM 571 CG ASP A 36 -22.454 38.211 -5.749 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.746 39.327 -6.244 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.674 37.939 -4.544 1.00 0.00 O ATOM 0 H ASP A 36 -20.617 35.677 -8.219 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.512 38.494 -7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.532 36.954 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.786 36.189 -6.115 1.00 0.00 H new ATOM 578 N ASN A 37 -18.475 36.711 -5.944 1.00 0.00 N ATOM 579 CA ASN A 37 -17.343 36.890 -5.018 1.00 0.00 C ATOM 580 C ASN A 37 -16.127 37.583 -5.683 1.00 0.00 C ATOM 581 O ASN A 37 -15.069 37.712 -5.061 1.00 0.00 O ATOM 582 CB ASN A 37 -16.940 35.571 -4.345 1.00 0.00 C ATOM 583 CG ASN A 37 -18.066 34.629 -3.962 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.122 35.006 -3.474 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.842 33.352 -4.157 1.00 0.00 N ATOM 0 H ASN A 37 -18.466 35.829 -6.457 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.695 37.564 -4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.265 35.039 -5.016 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.373 35.808 -3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.551 32.665 -3.901 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.959 33.046 -4.565 1.00 0.00 H new ATOM 592 N GLY A 38 -16.243 37.983 -6.957 1.00 0.00 N ATOM 593 CA GLY A 38 -15.132 38.438 -7.803 1.00 0.00 C ATOM 594 C GLY A 38 -14.310 37.316 -8.435 1.00 0.00 C ATOM 595 O GLY A 38 -13.268 37.591 -9.031 1.00 0.00 O ATOM 0 H GLY A 38 -17.140 37.999 -7.442 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.532 39.068 -8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.469 39.062 -7.204 1.00 0.00 H new ATOM 599 N GLU A 39 -14.739 36.058 -8.305 1.00 0.00 N ATOM 600 CA GLU A 39 -14.009 34.912 -8.863 1.00 0.00 C ATOM 601 C GLU A 39 -14.206 34.901 -10.384 1.00 0.00 C ATOM 602 O GLU A 39 -15.338 34.816 -10.861 1.00 0.00 O ATOM 603 CB GLU A 39 -14.461 33.575 -8.237 1.00 0.00 C ATOM 604 CG GLU A 39 -14.797 33.672 -6.743 1.00 0.00 C ATOM 605 CD GLU A 39 -14.562 32.401 -5.907 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.565 31.669 -6.118 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.373 32.175 -4.976 1.00 0.00 O ATOM 0 H GLU A 39 -15.596 35.804 -7.814 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.951 35.019 -8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.337 33.211 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.673 32.835 -8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.206 34.480 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.845 33.957 -6.646 1.00 0.00 H new ATOM 614 N GLU A 40 -13.127 34.996 -11.152 1.00 0.00 N ATOM 615 CA GLU A 40 -13.175 35.066 -12.619 1.00 0.00 C ATOM 616 C GLU A 40 -12.812 33.717 -13.262 1.00 0.00 C ATOM 617 O GLU A 40 -11.785 33.112 -12.936 1.00 0.00 O ATOM 618 CB GLU A 40 -12.210 36.143 -13.131 1.00 0.00 C ATOM 619 CG GLU A 40 -12.825 37.537 -13.016 1.00 0.00 C ATOM 620 CD GLU A 40 -11.787 38.634 -13.314 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.174 38.632 -14.408 1.00 0.00 O ATOM 622 OE2 GLU A 40 -11.597 39.518 -12.445 1.00 0.00 O ATOM 0 H GLU A 40 -12.180 35.027 -10.775 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.197 35.320 -12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.282 36.104 -12.561 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.954 35.941 -14.171 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.661 37.626 -13.710 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.227 37.677 -12.013 1.00 0.00 H new ATOM 629 N PHE A 41 -13.645 33.272 -14.205 1.00 0.00 N ATOM 630 CA PHE A 41 -13.491 32.021 -14.954 1.00 0.00 C ATOM 631 C PHE A 41 -13.620 32.228 -16.463 1.00 0.00 C ATOM 632 O PHE A 41 -14.142 33.240 -16.932 1.00 0.00 O ATOM 633 CB PHE A 41 -14.529 31.001 -14.477 1.00 0.00 C ATOM 634 CG PHE A 41 -14.349 30.583 -13.034 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.947 31.319 -11.992 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.540 29.473 -12.729 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.733 30.932 -10.664 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.318 29.098 -11.393 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.913 29.833 -10.357 1.00 0.00 C ATOM 0 H PHE A 41 -14.478 33.793 -14.479 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.485 31.647 -14.763 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.526 31.424 -14.602 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.476 30.117 -15.112 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.566 32.175 -12.216 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.086 28.905 -13.528 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.204 31.485 -9.865 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.692 28.248 -11.165 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.742 29.555 -9.327 1.00 0.00 H new ATOM 649 N GLU A 42 -13.169 31.235 -17.227 1.00 0.00 N ATOM 650 CA GLU A 42 -13.184 31.236 -18.688 1.00 0.00 C ATOM 651 C GLU A 42 -14.200 30.237 -19.250 1.00 0.00 C ATOM 652 O GLU A 42 -14.283 29.088 -18.801 1.00 0.00 O ATOM 653 CB GLU A 42 -11.793 30.923 -19.262 1.00 0.00 C ATOM 654 CG GLU A 42 -10.669 31.771 -18.652 1.00 0.00 C ATOM 655 CD GLU A 42 -9.978 31.196 -17.398 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.251 30.047 -16.972 1.00 0.00 O ATOM 657 OE2 GLU A 42 -9.148 31.941 -16.821 1.00 0.00 O ATOM 0 H GLU A 42 -12.771 30.382 -16.834 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.479 32.240 -18.992 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.571 29.869 -19.098 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.811 31.081 -20.340 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.909 31.932 -19.417 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.078 32.749 -18.398 1.00 0.00 H new ATOM 664 N VAL A 43 -14.939 30.669 -20.270 1.00 0.00 N ATOM 665 CA VAL A 43 -15.936 29.871 -20.997 1.00 0.00 C ATOM 666 C VAL A 43 -15.628 29.889 -22.507 1.00 0.00 C ATOM 667 O VAL A 43 -15.796 30.926 -23.155 1.00 0.00 O ATOM 668 CB VAL A 43 -17.364 30.377 -20.717 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.397 29.438 -21.350 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.672 30.495 -19.216 1.00 0.00 C ATOM 0 H VAL A 43 -14.860 31.620 -20.630 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.879 28.841 -20.643 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.425 31.372 -21.157 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.401 29.809 -21.143 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.240 29.398 -22.428 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.286 28.438 -20.930 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.692 30.856 -19.081 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.568 29.517 -18.745 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.975 31.195 -18.756 1.00 0.00 H new ATOM 680 N PRO A 44 -15.185 28.761 -23.093 1.00 0.00 N ATOM 681 CA PRO A 44 -15.054 28.582 -24.535 1.00 0.00 C ATOM 682 C PRO A 44 -16.422 28.459 -25.226 1.00 0.00 C ATOM 683 O PRO A 44 -17.266 27.645 -24.842 1.00 0.00 O ATOM 684 CB PRO A 44 -14.219 27.311 -24.739 1.00 0.00 C ATOM 685 CG PRO A 44 -13.565 27.052 -23.384 1.00 0.00 C ATOM 686 CD PRO A 44 -14.572 27.641 -22.405 1.00 0.00 C ATOM 0 HA PRO A 44 -14.573 29.451 -24.984 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.844 26.472 -25.043 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.471 27.450 -25.519 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.405 25.988 -23.209 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.592 27.538 -23.305 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.320 26.901 -22.120 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.081 27.967 -21.488 1.00 0.00 H new ATOM 694 N PHE A 45 -16.608 29.244 -26.281 1.00 0.00 N ATOM 695 CA PHE A 45 -17.754 29.211 -27.204 1.00 0.00 C ATOM 696 C PHE A 45 -17.315 28.844 -28.626 1.00 0.00 C ATOM 697 O PHE A 45 -16.267 29.290 -29.085 1.00 0.00 O ATOM 698 CB PHE A 45 -18.454 30.576 -27.207 1.00 0.00 C ATOM 699 CG PHE A 45 -19.313 30.837 -25.984 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.726 31.330 -24.804 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.704 30.625 -26.029 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.521 31.608 -23.683 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.499 30.903 -24.901 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.904 31.380 -23.719 1.00 0.00 C ATOM 0 H PHE A 45 -15.930 29.963 -26.536 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.448 28.444 -26.859 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.699 31.359 -27.281 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.078 30.650 -28.098 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.659 31.495 -24.762 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.162 30.248 -26.931 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.065 32.000 -22.786 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.567 30.750 -24.943 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.509 31.569 -22.845 1.00 0.00 H new ATOM 714 N ALA A 46 -18.127 28.093 -29.365 1.00 0.00 N ATOM 715 CA ALA A 46 -17.860 27.733 -30.762 1.00 0.00 C ATOM 716 C ALA A 46 -18.344 28.831 -31.727 1.00 0.00 C ATOM 717 O ALA A 46 -19.218 29.624 -31.379 1.00 0.00 O ATOM 718 CB ALA A 46 -18.522 26.380 -31.054 1.00 0.00 C ATOM 0 H ALA A 46 -19.003 27.710 -29.009 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.785 27.644 -30.919 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.332 26.098 -32.090 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.108 25.621 -30.390 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.597 26.458 -30.890 1.00 0.00 H new ATOM 724 N ASP A 47 -17.823 28.868 -32.955 1.00 0.00 N ATOM 725 CA ASP A 47 -18.241 29.827 -34.000 1.00 0.00 C ATOM 726 C ASP A 47 -19.734 29.704 -34.395 1.00 0.00 C ATOM 727 O ASP A 47 -20.328 30.650 -34.914 1.00 0.00 O ATOM 728 CB ASP A 47 -17.324 29.642 -35.216 1.00 0.00 C ATOM 729 CG ASP A 47 -17.612 30.646 -36.346 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.304 31.851 -36.178 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.105 30.226 -37.421 1.00 0.00 O ATOM 0 H ASP A 47 -17.090 28.229 -33.263 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.142 30.834 -33.595 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.286 29.747 -34.900 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.439 28.628 -35.600 1.00 0.00 H new ATOM 736 N ASP A 48 -20.365 28.560 -34.106 1.00 0.00 N ATOM 737 CA ASP A 48 -21.816 28.338 -34.245 1.00 0.00 C ATOM 738 C ASP A 48 -22.658 29.076 -33.173 1.00 0.00 C ATOM 739 O ASP A 48 -23.880 29.191 -33.305 1.00 0.00 O ATOM 740 CB ASP A 48 -22.061 26.824 -34.197 1.00 0.00 C ATOM 741 CG ASP A 48 -23.504 26.435 -34.568 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.920 26.681 -35.726 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.211 25.838 -33.720 1.00 0.00 O ATOM 0 H ASP A 48 -19.870 27.738 -33.759 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.143 28.757 -35.196 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.370 26.328 -34.879 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.838 26.457 -33.195 1.00 0.00 H new ATOM 748 N ALA A 49 -22.009 29.586 -32.122 1.00 0.00 N ATOM 749 CA ALA A 49 -22.594 30.281 -30.975 1.00 0.00 C ATOM 750 C ALA A 49 -22.076 31.731 -30.828 1.00 0.00 C ATOM 751 O ALA A 49 -21.149 32.164 -31.516 1.00 0.00 O ATOM 752 CB ALA A 49 -22.296 29.444 -29.720 1.00 0.00 C ATOM 0 H ALA A 49 -20.994 29.519 -32.046 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.670 30.376 -31.122 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.720 29.937 -28.845 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.739 28.454 -29.829 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.218 29.347 -29.595 1.00 0.00 H new ATOM 758 N GLU A 50 -22.671 32.479 -29.895 1.00 0.00 N ATOM 759 CA GLU A 50 -22.245 33.818 -29.459 1.00 0.00 C ATOM 760 C GLU A 50 -22.177 33.896 -27.922 1.00 0.00 C ATOM 761 O GLU A 50 -22.707 33.028 -27.230 1.00 0.00 O ATOM 762 CB GLU A 50 -23.201 34.895 -30.006 1.00 0.00 C ATOM 763 CG GLU A 50 -23.061 35.090 -31.519 1.00 0.00 C ATOM 764 CD GLU A 50 -24.030 36.175 -32.029 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.649 37.371 -32.063 1.00 0.00 O ATOM 766 OE2 GLU A 50 -25.181 35.842 -32.406 1.00 0.00 O ATOM 0 H GLU A 50 -23.501 32.156 -29.398 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.248 34.003 -29.858 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.229 34.617 -29.772 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.004 35.841 -29.501 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -22.036 35.371 -31.760 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -23.262 34.149 -32.031 1.00 0.00 H new ATOM 773 N ILE A 51 -21.533 34.944 -27.400 1.00 0.00 N ATOM 774 CA ILE A 51 -21.328 35.246 -25.978 1.00 0.00 C ATOM 775 C ILE A 51 -22.529 36.044 -25.444 1.00 0.00 C ATOM 776 O ILE A 51 -22.707 37.213 -25.805 1.00 0.00 O ATOM 777 CB ILE A 51 -20.022 36.046 -25.739 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.847 35.590 -26.631 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.622 36.017 -24.251 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.411 34.136 -26.463 1.00 0.00 C ATOM 0 H ILE A 51 -21.112 35.653 -28.000 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.239 34.299 -25.445 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.242 37.074 -26.028 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.124 35.749 -27.673 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.990 36.232 -26.427 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.703 36.585 -24.110 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.418 36.460 -23.652 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.462 34.985 -23.937 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.581 33.925 -27.137 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.095 33.968 -25.434 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.246 33.476 -26.699 1.00 0.00 H new ATOM 792 N PRO A 52 -23.363 35.446 -24.584 1.00 0.00 N ATOM 793 CA PRO A 52 -24.384 36.156 -23.832 1.00 0.00 C ATOM 794 C PRO A 52 -23.742 37.024 -22.740 1.00 0.00 C ATOM 795 O PRO A 52 -22.678 36.695 -22.209 1.00 0.00 O ATOM 796 CB PRO A 52 -25.287 35.061 -23.262 1.00 0.00 C ATOM 797 CG PRO A 52 -24.363 33.854 -23.130 1.00 0.00 C ATOM 798 CD PRO A 52 -23.345 34.040 -24.246 1.00 0.00 C ATOM 0 HA PRO A 52 -24.959 36.849 -24.446 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.706 35.350 -22.298 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.127 34.851 -23.924 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.882 33.826 -22.152 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.911 32.919 -23.243 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.351 33.731 -23.921 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.601 33.429 -25.112 1.00 0.00 H new ATOM 806 N GLY A 53 -24.416 38.121 -22.380 1.00 0.00 N ATOM 807 CA GLY A 53 -23.992 39.082 -21.349 1.00 0.00 C ATOM 808 C GLY A 53 -23.592 38.459 -20.004 1.00 0.00 C ATOM 809 O GLY A 53 -22.729 38.998 -19.306 1.00 0.00 O ATOM 0 H GLY A 53 -25.304 38.376 -22.812 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.147 39.654 -21.733 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.804 39.789 -21.177 1.00 0.00 H new ATOM 813 N THR A 54 -24.183 37.315 -19.637 1.00 0.00 N ATOM 814 CA THR A 54 -23.763 36.522 -18.475 1.00 0.00 C ATOM 815 C THR A 54 -23.799 35.006 -18.749 1.00 0.00 C ATOM 816 O THR A 54 -24.486 34.548 -19.667 1.00 0.00 O ATOM 817 CB THR A 54 -24.677 36.795 -17.260 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.022 36.461 -17.544 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.738 38.259 -16.830 1.00 0.00 C ATOM 0 H THR A 54 -24.972 36.911 -20.142 1.00 0.00 H new ATOM 0 HA THR A 54 -22.737 36.826 -18.267 1.00 0.00 H new ATOM 0 HB THR A 54 -24.232 36.186 -16.473 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.577 36.642 -16.757 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.402 38.359 -15.971 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.739 38.600 -16.558 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.117 38.865 -17.653 1.00 0.00 H new ATOM 827 N TRP A 55 -23.061 34.218 -17.955 1.00 0.00 N ATOM 828 CA TRP A 55 -22.945 32.754 -18.068 1.00 0.00 C ATOM 829 C TRP A 55 -22.500 32.112 -16.739 1.00 0.00 C ATOM 830 O TRP A 55 -21.763 32.721 -15.963 1.00 0.00 O ATOM 831 CB TRP A 55 -21.952 32.398 -19.179 1.00 0.00 C ATOM 832 CG TRP A 55 -21.959 30.964 -19.608 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.156 30.001 -19.114 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.773 30.307 -20.625 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.376 28.813 -19.775 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.371 28.939 -20.721 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.805 30.734 -21.487 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.951 28.048 -21.636 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.399 29.848 -22.407 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.973 28.509 -22.484 1.00 0.00 C ATOM 0 H TRP A 55 -22.507 34.595 -17.186 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.930 32.358 -18.313 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.165 33.021 -20.048 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.948 32.654 -18.842 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.443 30.141 -18.315 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.867 27.949 -19.588 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.145 31.758 -21.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.617 27.022 -21.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.187 30.199 -23.058 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.431 27.836 -23.194 1.00 0.00 H new ATOM 851 N LEU A 56 -22.941 30.885 -16.446 1.00 0.00 N ATOM 852 CA LEU A 56 -22.595 30.165 -15.213 1.00 0.00 C ATOM 853 C LEU A 56 -21.099 29.785 -15.174 1.00 0.00 C ATOM 854 O LEU A 56 -20.584 29.138 -16.087 1.00 0.00 O ATOM 855 CB LEU A 56 -23.511 28.933 -15.073 1.00 0.00 C ATOM 856 CG LEU A 56 -24.140 28.766 -13.680 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.201 27.667 -13.712 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.106 28.384 -12.625 1.00 0.00 C ATOM 0 H LEU A 56 -23.556 30.356 -17.065 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.760 30.821 -14.358 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.309 29.002 -15.813 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.935 28.038 -15.308 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.579 29.729 -13.417 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.640 27.557 -12.721 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.980 27.934 -14.426 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.741 26.726 -14.012 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.596 28.277 -11.657 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.637 27.440 -12.901 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.345 29.162 -12.562 1.00 0.00 H new ATOM 870 N CYS A 57 -20.406 30.166 -14.101 1.00 0.00 N ATOM 871 CA CYS A 57 -18.979 29.908 -13.901 1.00 0.00 C ATOM 872 C CYS A 57 -18.715 28.593 -13.159 1.00 0.00 C ATOM 873 O CYS A 57 -19.594 28.033 -12.499 1.00 0.00 O ATOM 874 CB CYS A 57 -18.346 31.084 -13.146 1.00 0.00 C ATOM 875 SG CYS A 57 -18.189 32.511 -14.243 1.00 0.00 S ATOM 0 H CYS A 57 -20.832 30.676 -13.327 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.522 29.808 -14.885 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.958 31.344 -12.283 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.365 30.797 -12.766 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.654 33.501 -13.593 1.00 0.00 H new ATOM 881 N ARG A 58 -17.457 28.134 -13.199 1.00 0.00 N ATOM 882 CA ARG A 58 -17.022 26.845 -12.624 1.00 0.00 C ATOM 883 C ARG A 58 -17.080 26.799 -11.085 1.00 0.00 C ATOM 884 O ARG A 58 -17.105 25.715 -10.506 1.00 0.00 O ATOM 885 CB ARG A 58 -15.619 26.466 -13.145 1.00 0.00 C ATOM 886 CG ARG A 58 -15.429 26.676 -14.660 1.00 0.00 C ATOM 887 CD ARG A 58 -14.047 26.207 -15.130 1.00 0.00 C ATOM 888 NE ARG A 58 -13.758 26.675 -16.501 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.749 26.308 -17.269 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.877 25.411 -16.899 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.599 26.850 -18.440 1.00 0.00 N ATOM 0 H ARG A 58 -16.697 28.653 -13.638 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.741 26.100 -12.963 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.874 27.056 -12.612 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.426 25.420 -12.908 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.202 26.131 -15.202 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.556 27.732 -14.899 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.283 26.580 -14.448 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.000 25.119 -15.098 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.408 27.355 -16.897 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.961 24.965 -15.986 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.112 25.156 -17.523 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.260 27.557 -18.763 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.821 26.569 -19.036 1.00 0.00 H new ATOM 905 N ASN A 59 -17.171 27.963 -10.430 1.00 0.00 N ATOM 906 CA ASN A 59 -17.451 28.105 -8.991 1.00 0.00 C ATOM 907 C ASN A 59 -18.895 27.694 -8.605 1.00 0.00 C ATOM 908 O ASN A 59 -19.195 27.442 -7.438 1.00 0.00 O ATOM 909 CB ASN A 59 -17.174 29.577 -8.634 1.00 0.00 C ATOM 910 CG ASN A 59 -17.391 29.984 -7.181 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.200 29.225 -6.243 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.739 31.233 -6.955 1.00 0.00 N ATOM 0 H ASN A 59 -17.049 28.861 -10.899 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.811 27.428 -8.426 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.141 29.802 -8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.808 30.204 -9.261 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.849 31.566 -5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.899 31.868 -7.738 1.00 0.00 H new ATOM 919 N GLY A 60 -19.798 27.610 -9.588 1.00 0.00 N ATOM 920 CA GLY A 60 -21.227 27.338 -9.400 1.00 0.00 C ATOM 921 C GLY A 60 -22.078 28.601 -9.210 1.00 0.00 C ATOM 922 O GLY A 60 -23.237 28.495 -8.804 1.00 0.00 O ATOM 0 H GLY A 60 -19.546 27.734 -10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.599 26.787 -10.264 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.353 26.692 -8.531 1.00 0.00 H new ATOM 926 N MET A 61 -21.521 29.787 -9.499 1.00 0.00 N ATOM 927 CA MET A 61 -22.215 31.077 -9.454 1.00 0.00 C ATOM 928 C MET A 61 -22.364 31.677 -10.858 1.00 0.00 C ATOM 929 O MET A 61 -21.509 31.482 -11.724 1.00 0.00 O ATOM 930 CB MET A 61 -21.471 32.018 -8.487 1.00 0.00 C ATOM 931 CG MET A 61 -22.284 33.261 -8.094 1.00 0.00 C ATOM 932 SD MET A 61 -23.926 32.923 -7.394 1.00 0.00 S ATOM 933 CE MET A 61 -24.537 34.614 -7.169 1.00 0.00 C ATOM 0 H MET A 61 -20.544 29.874 -9.779 1.00 0.00 H new ATOM 0 HA MET A 61 -23.228 30.934 -9.079 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.208 31.465 -7.585 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.537 32.336 -8.949 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.709 33.837 -7.369 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.405 33.890 -8.976 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.560 34.584 -6.795 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.904 35.137 -6.453 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.515 35.139 -8.124 1.00 0.00 H new ATOM 943 N GLU A 62 -23.439 32.427 -11.091 1.00 0.00 N ATOM 944 CA GLU A 62 -23.672 33.153 -12.345 1.00 0.00 C ATOM 945 C GLU A 62 -22.640 34.280 -12.510 1.00 0.00 C ATOM 946 O GLU A 62 -22.648 35.268 -11.770 1.00 0.00 O ATOM 947 CB GLU A 62 -25.111 33.693 -12.397 1.00 0.00 C ATOM 948 CG GLU A 62 -26.147 32.565 -12.487 1.00 0.00 C ATOM 949 CD GLU A 62 -27.577 33.131 -12.584 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.205 33.392 -11.528 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.091 33.311 -13.715 1.00 0.00 O ATOM 0 H GLU A 62 -24.185 32.552 -10.407 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.549 32.463 -13.180 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.305 34.293 -11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.219 34.354 -13.257 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.938 31.944 -13.358 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.066 31.922 -11.611 1.00 0.00 H new ATOM 958 N GLY A 63 -21.726 34.113 -13.468 1.00 0.00 N ATOM 959 CA GLY A 63 -20.710 35.099 -13.823 1.00 0.00 C ATOM 960 C GLY A 63 -21.207 36.118 -14.851 1.00 0.00 C ATOM 961 O GLY A 63 -21.997 35.786 -15.735 1.00 0.00 O ATOM 0 H GLY A 63 -21.673 33.265 -14.032 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.390 35.624 -12.923 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.835 34.585 -14.221 1.00 0.00 H new ATOM 965 N THR A 64 -20.698 37.349 -14.788 1.00 0.00 N ATOM 966 CA THR A 64 -20.968 38.402 -15.785 1.00 0.00 C ATOM 967 C THR A 64 -19.758 38.655 -16.674 1.00 0.00 C ATOM 968 O THR A 64 -18.630 38.660 -16.188 1.00 0.00 O ATOM 969 CB THR A 64 -21.401 39.714 -15.115 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.531 39.497 -14.293 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.783 40.810 -16.117 1.00 0.00 C ATOM 0 H THR A 64 -20.079 37.653 -14.037 1.00 0.00 H new ATOM 0 HA THR A 64 -21.787 38.041 -16.407 1.00 0.00 H new ATOM 0 HB THR A 64 -20.536 40.045 -14.541 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.795 40.341 -13.871 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.079 41.709 -15.577 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.928 41.034 -16.755 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.614 40.466 -16.733 1.00 0.00 H new ATOM 979 N LEU A 65 -19.989 38.835 -17.976 1.00 0.00 N ATOM 980 CA LEU A 65 -18.963 38.990 -19.010 1.00 0.00 C ATOM 981 C LEU A 65 -18.072 40.221 -18.728 1.00 0.00 C ATOM 982 O LEU A 65 -18.572 41.347 -18.654 1.00 0.00 O ATOM 983 CB LEU A 65 -19.712 39.046 -20.358 1.00 0.00 C ATOM 984 CG LEU A 65 -18.920 38.845 -21.664 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.842 39.198 -22.837 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.646 39.674 -21.818 1.00 0.00 C ATOM 0 H LEU A 65 -20.935 38.879 -18.355 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.263 38.155 -19.027 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.496 38.290 -20.330 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.206 40.016 -20.419 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.596 37.805 -21.643 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.304 39.064 -23.776 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.715 38.546 -22.823 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.163 40.236 -22.748 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.177 39.446 -22.775 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.895 40.734 -21.779 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.956 39.434 -21.009 1.00 0.00 H new