USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=5 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= 0.781 K(o=0.78,f=-0.0051) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.435 USER MOD Single : A 35 THR OG1 : rot -72:sc= 0.225 USER MOD Single : A 37 ASN : amide:sc= 0.71 K(o=0.71,f=-0.12) USER MOD Single : A 54 THR OG1 : rot 153:sc= 0.399 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.47 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.178 31.047 -29.605 1.00 0.00 N ATOM 438 CA GLN A 29 -14.106 32.324 -28.888 1.00 0.00 C ATOM 439 C GLN A 29 -14.041 32.047 -27.383 1.00 0.00 C ATOM 440 O GLN A 29 -14.998 31.565 -26.786 1.00 0.00 O ATOM 441 CB GLN A 29 -15.351 33.193 -29.162 1.00 0.00 C ATOM 442 CG GLN A 29 -15.673 33.446 -30.645 1.00 0.00 C ATOM 443 CD GLN A 29 -17.073 32.967 -31.005 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.899 33.690 -31.544 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.374 31.722 -30.713 1.00 0.00 N ATOM 0 HA GLN A 29 -13.219 32.856 -29.232 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.214 32.716 -28.698 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.215 34.156 -28.669 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.586 34.511 -30.860 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.941 32.934 -31.269 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.682 31.122 -30.263 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.299 31.355 -30.936 1.00 0.00 H new ATOM 454 N ILE A 30 -12.920 32.356 -26.754 1.00 0.00 N ATOM 455 CA ILE A 30 -12.748 32.259 -25.300 1.00 0.00 C ATOM 456 C ILE A 30 -13.210 33.581 -24.673 1.00 0.00 C ATOM 457 O ILE A 30 -12.528 34.600 -24.794 1.00 0.00 O ATOM 458 CB ILE A 30 -11.287 31.932 -24.917 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.653 30.804 -25.763 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.213 31.603 -23.414 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.429 29.488 -25.816 1.00 0.00 C ATOM 0 H ILE A 30 -12.086 32.687 -27.239 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.353 31.437 -24.916 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.695 32.821 -25.136 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.526 31.169 -26.782 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.657 30.600 -25.371 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.183 31.372 -23.142 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.557 32.461 -22.836 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.847 30.743 -23.198 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.890 28.773 -26.437 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.534 29.087 -24.808 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.417 29.665 -26.241 1.00 0.00 H new ATOM 473 N ALA A 31 -14.357 33.571 -23.997 1.00 0.00 N ATOM 474 CA ALA A 31 -14.820 34.687 -23.174 1.00 0.00 C ATOM 475 C ALA A 31 -14.467 34.463 -21.694 1.00 0.00 C ATOM 476 O ALA A 31 -14.167 33.345 -21.266 1.00 0.00 O ATOM 477 CB ALA A 31 -16.323 34.882 -23.402 1.00 0.00 C ATOM 0 H ALA A 31 -14.999 32.778 -24.005 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.310 35.604 -23.468 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.679 35.713 -22.792 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.506 35.100 -24.454 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.855 33.973 -23.122 1.00 0.00 H new ATOM 483 N ARG A 32 -14.514 35.534 -20.900 1.00 0.00 N ATOM 484 CA ARG A 32 -14.329 35.510 -19.441 1.00 0.00 C ATOM 485 C ARG A 32 -15.566 36.044 -18.731 1.00 0.00 C ATOM 486 O ARG A 32 -16.237 36.938 -19.250 1.00 0.00 O ATOM 487 CB ARG A 32 -13.062 36.293 -19.048 1.00 0.00 C ATOM 488 CG ARG A 32 -11.882 35.326 -18.929 1.00 0.00 C ATOM 489 CD ARG A 32 -10.541 36.033 -18.724 1.00 0.00 C ATOM 490 NE ARG A 32 -9.490 35.052 -18.382 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.321 34.868 -18.967 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.926 35.578 -19.979 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.524 33.938 -18.532 1.00 0.00 N ATOM 0 H ARG A 32 -14.687 36.472 -21.262 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.193 34.477 -19.122 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.847 37.056 -19.796 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.220 36.810 -18.101 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.059 34.648 -18.094 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.829 34.715 -19.830 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.264 36.572 -19.630 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.630 36.773 -17.928 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.694 34.439 -17.593 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.527 36.312 -20.353 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.014 35.402 -20.401 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.803 33.355 -17.743 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.619 33.791 -18.980 1.00 0.00 H new ATOM 507 N TYR A 33 -15.830 35.528 -17.532 1.00 0.00 N ATOM 508 CA TYR A 33 -16.933 35.970 -16.676 1.00 0.00 C ATOM 509 C TYR A 33 -16.520 36.030 -15.196 1.00 0.00 C ATOM 510 O TYR A 33 -15.760 35.185 -14.726 1.00 0.00 O ATOM 511 CB TYR A 33 -18.150 35.056 -16.843 1.00 0.00 C ATOM 512 CG TYR A 33 -18.748 34.972 -18.230 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.164 34.163 -19.224 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.930 35.675 -18.506 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.783 34.045 -20.482 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.541 35.573 -19.764 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.993 34.723 -20.740 1.00 0.00 C ATOM 518 OH TYR A 33 -20.670 34.520 -21.895 1.00 0.00 O ATOM 0 H TYR A 33 -15.275 34.778 -17.120 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.199 36.979 -16.992 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.866 34.050 -16.533 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.927 35.394 -16.157 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.244 33.635 -19.021 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.373 36.299 -17.744 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.332 33.435 -21.251 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.430 36.146 -19.982 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.328 35.236 -22.019 1.00 0.00 H new ATOM 528 N ARG A 34 -17.037 37.026 -14.465 1.00 0.00 N ATOM 529 CA ARG A 34 -16.766 37.314 -13.045 1.00 0.00 C ATOM 530 C ARG A 34 -17.982 36.995 -12.179 1.00 0.00 C ATOM 531 O ARG A 34 -19.069 37.512 -12.436 1.00 0.00 O ATOM 532 CB ARG A 34 -16.357 38.792 -12.914 1.00 0.00 C ATOM 533 CG ARG A 34 -15.930 39.177 -11.489 1.00 0.00 C ATOM 534 CD ARG A 34 -15.411 40.617 -11.469 1.00 0.00 C ATOM 535 NE ARG A 34 -15.075 41.060 -10.101 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.879 41.144 -9.543 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.774 40.822 -10.153 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.769 41.571 -8.317 1.00 0.00 N ATOM 0 H ARG A 34 -17.694 37.693 -14.870 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.952 36.681 -12.691 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.536 38.997 -13.601 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.193 39.422 -13.219 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.775 39.077 -10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.154 38.497 -11.137 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.528 40.694 -12.103 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.165 41.281 -11.891 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.863 41.335 -9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.802 40.483 -11.115 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.880 40.909 -9.669 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.603 41.838 -7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.849 41.638 -7.881 1.00 0.00 H new ATOM 552 N THR A 35 -17.801 36.164 -11.157 1.00 0.00 N ATOM 553 CA THR A 35 -18.850 35.741 -10.211 1.00 0.00 C ATOM 554 C THR A 35 -19.135 36.827 -9.171 1.00 0.00 C ATOM 555 O THR A 35 -18.463 37.860 -9.110 1.00 0.00 O ATOM 556 CB THR A 35 -18.497 34.427 -9.499 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.329 34.586 -8.752 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.313 33.264 -10.465 1.00 0.00 C ATOM 0 H THR A 35 -16.893 35.748 -10.950 1.00 0.00 H new ATOM 0 HA THR A 35 -19.747 35.574 -10.807 1.00 0.00 H new ATOM 0 HB THR A 35 -19.339 34.189 -8.848 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.560 34.647 -9.356 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.065 32.362 -9.905 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.237 33.103 -11.021 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.506 33.493 -11.161 1.00 0.00 H new ATOM 566 N ASP A 36 -20.109 36.579 -8.296 1.00 0.00 N ATOM 567 CA ASP A 36 -20.516 37.538 -7.260 1.00 0.00 C ATOM 568 C ASP A 36 -19.547 37.561 -6.060 1.00 0.00 C ATOM 569 O ASP A 36 -19.582 38.470 -5.228 1.00 0.00 O ATOM 570 CB ASP A 36 -21.962 37.226 -6.844 1.00 0.00 C ATOM 571 CG ASP A 36 -22.562 38.304 -5.922 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.727 39.464 -6.373 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.908 37.985 -4.758 1.00 0.00 O ATOM 0 H ASP A 36 -20.641 35.709 -8.282 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.473 38.546 -7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.580 37.133 -7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.989 36.262 -6.335 1.00 0.00 H new ATOM 578 N ASN A 37 -18.637 36.584 -6.006 1.00 0.00 N ATOM 579 CA ASN A 37 -17.569 36.448 -5.021 1.00 0.00 C ATOM 580 C ASN A 37 -16.216 36.980 -5.569 1.00 0.00 C ATOM 581 O ASN A 37 -15.158 36.745 -4.984 1.00 0.00 O ATOM 582 CB ASN A 37 -17.606 34.969 -4.606 1.00 0.00 C ATOM 583 CG ASN A 37 -16.681 34.605 -3.463 1.00 0.00 C ATOM 584 OD1 ASN A 37 -16.584 35.285 -2.450 1.00 0.00 O ATOM 585 ND2 ASN A 37 -16.023 33.477 -3.570 1.00 0.00 N ATOM 0 H ASN A 37 -18.629 35.826 -6.689 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.704 37.066 -4.133 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.627 34.711 -4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.350 34.357 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.425 33.161 -2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.108 32.915 -4.417 1.00 0.00 H new ATOM 592 N GLY A 38 -16.247 37.689 -6.710 1.00 0.00 N ATOM 593 CA GLY A 38 -15.088 38.253 -7.422 1.00 0.00 C ATOM 594 C GLY A 38 -14.327 37.269 -8.302 1.00 0.00 C ATOM 595 O GLY A 38 -13.301 37.623 -8.883 1.00 0.00 O ATOM 0 H GLY A 38 -17.126 37.895 -7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.430 39.081 -8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.398 38.669 -6.688 1.00 0.00 H new ATOM 599 N GLU A 39 -14.788 36.024 -8.373 1.00 0.00 N ATOM 600 CA GLU A 39 -14.029 34.920 -8.956 1.00 0.00 C ATOM 601 C GLU A 39 -14.206 34.901 -10.472 1.00 0.00 C ATOM 602 O GLU A 39 -15.327 34.776 -10.964 1.00 0.00 O ATOM 603 CB GLU A 39 -14.395 33.569 -8.318 1.00 0.00 C ATOM 604 CG GLU A 39 -14.671 33.654 -6.815 1.00 0.00 C ATOM 605 CD GLU A 39 -14.252 32.364 -6.088 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.040 32.037 -6.055 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.132 31.697 -5.499 1.00 0.00 O ATOM 0 H GLU A 39 -15.707 35.750 -8.025 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.973 35.083 -8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.276 33.168 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.582 32.864 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.131 34.502 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.733 33.837 -6.649 1.00 0.00 H new ATOM 614 N GLU A 40 -13.112 35.031 -11.213 1.00 0.00 N ATOM 615 CA GLU A 40 -13.135 35.113 -12.680 1.00 0.00 C ATOM 616 C GLU A 40 -12.726 33.783 -13.329 1.00 0.00 C ATOM 617 O GLU A 40 -11.666 33.221 -13.034 1.00 0.00 O ATOM 618 CB GLU A 40 -12.218 36.245 -13.173 1.00 0.00 C ATOM 619 CG GLU A 40 -12.876 37.611 -12.964 1.00 0.00 C ATOM 620 CD GLU A 40 -11.962 38.805 -13.299 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.059 38.692 -14.163 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.168 39.883 -12.691 1.00 0.00 O ATOM 0 H GLU A 40 -12.174 35.083 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.161 35.330 -12.978 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.269 36.208 -12.638 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.994 36.103 -14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.773 37.669 -13.581 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.197 37.693 -11.926 1.00 0.00 H new ATOM 629 N PHE A 41 -13.577 33.302 -14.240 1.00 0.00 N ATOM 630 CA PHE A 41 -13.418 32.055 -14.992 1.00 0.00 C ATOM 631 C PHE A 41 -13.537 32.286 -16.500 1.00 0.00 C ATOM 632 O PHE A 41 -14.074 33.297 -16.955 1.00 0.00 O ATOM 633 CB PHE A 41 -14.467 31.033 -14.533 1.00 0.00 C ATOM 634 CG PHE A 41 -14.334 30.594 -13.086 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.945 31.324 -12.048 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.586 29.443 -12.775 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.797 30.901 -10.722 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.418 29.039 -11.439 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.022 29.773 -10.407 1.00 0.00 C ATOM 0 H PHE A 41 -14.436 33.795 -14.484 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.418 31.668 -14.793 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.459 31.460 -14.679 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.402 30.153 -15.173 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.525 32.206 -12.274 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.137 28.865 -13.570 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.285 31.450 -9.930 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.826 28.166 -11.208 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.892 29.473 -9.378 1.00 0.00 H new ATOM 649 N GLU A 42 -13.082 31.308 -17.279 1.00 0.00 N ATOM 650 CA GLU A 42 -13.102 31.327 -18.740 1.00 0.00 C ATOM 651 C GLU A 42 -14.113 30.326 -19.309 1.00 0.00 C ATOM 652 O GLU A 42 -14.214 29.185 -18.848 1.00 0.00 O ATOM 653 CB GLU A 42 -11.716 31.029 -19.335 1.00 0.00 C ATOM 654 CG GLU A 42 -10.580 31.875 -18.747 1.00 0.00 C ATOM 655 CD GLU A 42 -9.849 31.311 -17.512 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.180 30.213 -17.003 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.916 32.010 -17.041 1.00 0.00 O ATOM 0 H GLU A 42 -12.676 30.453 -16.899 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.402 32.336 -19.023 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.486 29.975 -19.179 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.754 31.191 -20.412 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.841 32.040 -19.531 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.987 32.851 -18.482 1.00 0.00 H new ATOM 664 N VAL A 43 -14.839 30.757 -20.341 1.00 0.00 N ATOM 665 CA VAL A 43 -15.831 29.953 -21.071 1.00 0.00 C ATOM 666 C VAL A 43 -15.526 29.974 -22.581 1.00 0.00 C ATOM 667 O VAL A 43 -15.703 31.010 -23.229 1.00 0.00 O ATOM 668 CB VAL A 43 -17.264 30.439 -20.787 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.288 29.498 -21.434 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.577 30.532 -19.286 1.00 0.00 C ATOM 0 H VAL A 43 -14.753 31.705 -20.707 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.762 28.924 -20.719 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.332 31.439 -21.214 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.296 29.856 -21.223 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.130 29.474 -22.512 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.168 28.494 -21.027 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.601 30.880 -19.149 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.463 29.549 -18.829 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.889 31.233 -18.814 1.00 0.00 H new ATOM 680 N PRO A 44 -15.077 28.849 -23.168 1.00 0.00 N ATOM 681 CA PRO A 44 -14.964 28.665 -24.611 1.00 0.00 C ATOM 682 C PRO A 44 -16.343 28.537 -25.279 1.00 0.00 C ATOM 683 O PRO A 44 -17.179 27.723 -24.878 1.00 0.00 O ATOM 684 CB PRO A 44 -14.128 27.397 -24.823 1.00 0.00 C ATOM 685 CG PRO A 44 -13.479 27.120 -23.469 1.00 0.00 C ATOM 686 CD PRO A 44 -14.469 27.725 -22.482 1.00 0.00 C ATOM 0 HA PRO A 44 -14.490 29.532 -25.071 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.752 26.561 -25.140 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.376 27.545 -25.598 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.341 26.052 -23.299 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.496 27.585 -23.390 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.222 26.994 -22.186 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.965 28.049 -21.572 1.00 0.00 H new ATOM 694 N PHE A 45 -16.548 29.318 -26.333 1.00 0.00 N ATOM 695 CA PHE A 45 -17.716 29.291 -27.230 1.00 0.00 C ATOM 696 C PHE A 45 -17.311 28.923 -28.660 1.00 0.00 C ATOM 697 O PHE A 45 -16.293 29.394 -29.154 1.00 0.00 O ATOM 698 CB PHE A 45 -18.405 30.660 -27.229 1.00 0.00 C ATOM 699 CG PHE A 45 -19.255 30.928 -26.003 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.661 31.424 -24.828 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.647 30.719 -26.041 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.451 31.704 -23.703 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.436 30.999 -24.908 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.833 31.476 -23.731 1.00 0.00 C ATOM 0 H PHE A 45 -15.871 30.030 -26.607 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.405 28.530 -26.863 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.644 31.437 -27.307 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.033 30.739 -28.117 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.594 31.590 -24.792 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.111 30.343 -26.941 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.991 32.098 -22.809 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.505 30.847 -24.944 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.432 31.666 -22.853 1.00 0.00 H new ATOM 714 N ALA A 46 -18.125 28.148 -29.369 1.00 0.00 N ATOM 715 CA ALA A 46 -17.872 27.759 -30.761 1.00 0.00 C ATOM 716 C ALA A 46 -18.340 28.847 -31.746 1.00 0.00 C ATOM 717 O ALA A 46 -19.204 29.659 -31.416 1.00 0.00 O ATOM 718 CB ALA A 46 -18.557 26.413 -31.026 1.00 0.00 C ATOM 0 H ALA A 46 -18.992 27.765 -28.992 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.799 27.650 -30.920 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.378 26.110 -32.058 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.151 25.659 -30.351 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.629 26.511 -30.858 1.00 0.00 H new ATOM 724 N ASP A 47 -17.818 28.846 -32.973 1.00 0.00 N ATOM 725 CA ASP A 47 -18.215 29.778 -34.045 1.00 0.00 C ATOM 726 C ASP A 47 -19.711 29.683 -34.432 1.00 0.00 C ATOM 727 O ASP A 47 -20.281 30.631 -34.973 1.00 0.00 O ATOM 728 CB ASP A 47 -17.313 29.511 -35.259 1.00 0.00 C ATOM 729 CG ASP A 47 -17.648 30.403 -36.464 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.203 31.574 -36.496 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.348 29.919 -37.386 1.00 0.00 O ATOM 0 H ASP A 47 -17.094 28.188 -33.261 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.086 30.796 -33.677 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.273 29.670 -34.974 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.407 28.465 -35.551 1.00 0.00 H new ATOM 736 N ASP A 48 -20.372 28.564 -34.113 1.00 0.00 N ATOM 737 CA ASP A 48 -21.824 28.373 -34.262 1.00 0.00 C ATOM 738 C ASP A 48 -22.656 29.117 -33.188 1.00 0.00 C ATOM 739 O ASP A 48 -23.876 29.244 -33.311 1.00 0.00 O ATOM 740 CB ASP A 48 -22.104 26.864 -34.240 1.00 0.00 C ATOM 741 CG ASP A 48 -23.549 26.517 -34.641 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.946 26.817 -35.792 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.275 25.901 -33.822 1.00 0.00 O ATOM 0 H ASP A 48 -19.901 27.743 -33.734 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.137 28.810 -35.210 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.414 26.362 -34.918 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.907 26.478 -33.240 1.00 0.00 H new ATOM 748 N ALA A 49 -21.994 29.621 -32.141 1.00 0.00 N ATOM 749 CA ALA A 49 -22.563 30.322 -30.990 1.00 0.00 C ATOM 750 C ALA A 49 -22.059 31.779 -30.868 1.00 0.00 C ATOM 751 O ALA A 49 -21.165 32.224 -31.592 1.00 0.00 O ATOM 752 CB ALA A 49 -22.230 29.503 -29.732 1.00 0.00 C ATOM 0 H ALA A 49 -20.979 29.544 -32.073 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.642 30.403 -31.118 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.642 30.001 -28.854 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.664 28.507 -29.821 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.148 29.420 -29.628 1.00 0.00 H new ATOM 758 N GLU A 50 -22.627 32.520 -29.915 1.00 0.00 N ATOM 759 CA GLU A 50 -22.203 33.862 -29.490 1.00 0.00 C ATOM 760 C GLU A 50 -22.116 33.956 -27.954 1.00 0.00 C ATOM 761 O GLU A 50 -22.614 33.076 -27.254 1.00 0.00 O ATOM 762 CB GLU A 50 -23.151 34.916 -30.087 1.00 0.00 C ATOM 763 CG GLU A 50 -24.580 34.874 -29.521 1.00 0.00 C ATOM 764 CD GLU A 50 -25.480 35.908 -30.226 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.511 37.088 -29.798 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.172 35.548 -31.210 1.00 0.00 O ATOM 0 H GLU A 50 -23.436 32.187 -29.390 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.200 34.059 -29.868 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.732 35.907 -29.910 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.196 34.777 -31.167 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.997 33.875 -29.649 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.558 35.075 -28.450 1.00 0.00 H new ATOM 773 N ILE A 51 -21.496 35.021 -27.433 1.00 0.00 N ATOM 774 CA ILE A 51 -21.288 35.309 -26.008 1.00 0.00 C ATOM 775 C ILE A 51 -22.494 36.092 -25.463 1.00 0.00 C ATOM 776 O ILE A 51 -22.679 37.266 -25.809 1.00 0.00 O ATOM 777 CB ILE A 51 -19.986 36.110 -25.763 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.811 35.678 -26.670 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.586 36.053 -24.276 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.352 34.227 -26.526 1.00 0.00 C ATOM 0 H ILE A 51 -21.102 35.749 -28.030 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.191 34.358 -25.484 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.207 37.142 -26.035 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.098 35.846 -27.708 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.961 36.329 -26.465 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.669 36.622 -24.124 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.383 36.481 -23.668 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.423 35.016 -23.983 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.524 34.038 -27.210 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.025 34.049 -25.502 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.179 33.558 -26.764 1.00 0.00 H new ATOM 792 N PRO A 52 -23.322 35.479 -24.608 1.00 0.00 N ATOM 793 CA PRO A 52 -24.349 36.172 -23.847 1.00 0.00 C ATOM 794 C PRO A 52 -23.716 37.035 -22.746 1.00 0.00 C ATOM 795 O PRO A 52 -22.645 36.716 -22.222 1.00 0.00 O ATOM 796 CB PRO A 52 -25.241 35.063 -23.286 1.00 0.00 C ATOM 797 CG PRO A 52 -24.304 33.865 -23.164 1.00 0.00 C ATOM 798 CD PRO A 52 -23.292 34.071 -24.282 1.00 0.00 C ATOM 0 HA PRO A 52 -24.930 36.866 -24.455 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.663 35.340 -22.320 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.078 34.849 -23.950 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.820 33.835 -22.188 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.842 32.924 -23.281 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.295 33.768 -23.963 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.546 33.466 -25.152 1.00 0.00 H new ATOM 806 N GLY A 53 -24.404 38.117 -22.373 1.00 0.00 N ATOM 807 CA GLY A 53 -23.992 39.072 -21.331 1.00 0.00 C ATOM 808 C GLY A 53 -23.581 38.439 -19.994 1.00 0.00 C ATOM 809 O GLY A 53 -22.716 38.980 -19.299 1.00 0.00 O ATOM 0 H GLY A 53 -25.296 38.365 -22.801 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.156 39.660 -21.709 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.813 39.765 -21.150 1.00 0.00 H new ATOM 813 N THR A 54 -24.155 37.285 -19.636 1.00 0.00 N ATOM 814 CA THR A 54 -23.722 36.489 -18.480 1.00 0.00 C ATOM 815 C THR A 54 -23.738 34.975 -18.768 1.00 0.00 C ATOM 816 O THR A 54 -24.409 34.516 -19.698 1.00 0.00 O ATOM 817 CB THR A 54 -24.638 36.731 -17.259 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.975 36.372 -17.548 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.733 38.194 -16.830 1.00 0.00 C ATOM 0 H THR A 54 -24.939 36.874 -20.143 1.00 0.00 H new ATOM 0 HA THR A 54 -22.702 36.811 -18.271 1.00 0.00 H new ATOM 0 HB THR A 54 -24.181 36.129 -16.474 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.430 36.110 -16.720 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.394 38.278 -15.968 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.741 38.560 -16.564 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.131 38.789 -17.652 1.00 0.00 H new ATOM 827 N TRP A 55 -23.000 34.185 -17.975 1.00 0.00 N ATOM 828 CA TRP A 55 -22.869 32.723 -18.107 1.00 0.00 C ATOM 829 C TRP A 55 -22.423 32.062 -16.788 1.00 0.00 C ATOM 830 O TRP A 55 -21.695 32.665 -16.000 1.00 0.00 O ATOM 831 CB TRP A 55 -21.869 32.391 -19.219 1.00 0.00 C ATOM 832 CG TRP A 55 -21.860 30.963 -19.665 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.052 30.001 -19.178 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.669 30.310 -20.690 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.258 28.819 -19.855 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.254 28.948 -20.800 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.704 30.736 -21.548 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.824 28.060 -21.725 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.289 29.854 -22.479 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.850 28.520 -22.570 1.00 0.00 C ATOM 0 H TRP A 55 -22.458 34.558 -17.196 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.851 32.324 -18.360 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.086 33.022 -20.081 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.868 32.654 -18.876 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.345 30.137 -18.373 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.740 27.958 -19.680 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.055 31.756 -21.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.480 27.038 -21.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.079 30.204 -23.127 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.300 27.850 -23.288 1.00 0.00 H new ATOM 851 N LEU A 56 -22.851 30.825 -16.516 1.00 0.00 N ATOM 852 CA LEU A 56 -22.510 30.092 -15.289 1.00 0.00 C ATOM 853 C LEU A 56 -21.014 29.723 -15.234 1.00 0.00 C ATOM 854 O LEU A 56 -20.483 29.081 -16.143 1.00 0.00 O ATOM 855 CB LEU A 56 -23.417 28.851 -15.166 1.00 0.00 C ATOM 856 CG LEU A 56 -24.064 28.677 -13.781 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.108 27.563 -13.830 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.040 28.305 -12.712 1.00 0.00 C ATOM 0 H LEU A 56 -23.452 30.297 -17.149 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.689 30.741 -14.432 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.204 28.915 -15.917 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.830 27.962 -15.395 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.518 29.634 -13.523 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.562 27.446 -12.846 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.879 27.819 -14.557 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.629 26.628 -14.122 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.542 28.193 -11.751 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.558 27.366 -12.982 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.288 29.091 -12.639 1.00 0.00 H new ATOM 870 N CYS A 57 -20.341 30.107 -14.150 1.00 0.00 N ATOM 871 CA CYS A 57 -18.919 29.846 -13.918 1.00 0.00 C ATOM 872 C CYS A 57 -18.676 28.563 -13.108 1.00 0.00 C ATOM 873 O CYS A 57 -19.569 28.062 -12.421 1.00 0.00 O ATOM 874 CB CYS A 57 -18.300 31.051 -13.201 1.00 0.00 C ATOM 875 SG CYS A 57 -18.206 32.473 -14.312 1.00 0.00 S ATOM 0 H CYS A 57 -20.781 30.622 -13.388 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.445 29.696 -14.888 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.897 31.306 -12.325 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.302 30.795 -12.844 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.681 33.482 -13.682 1.00 0.00 H new ATOM 881 N ARG A 58 -17.429 28.068 -13.114 1.00 0.00 N ATOM 882 CA ARG A 58 -17.043 26.809 -12.442 1.00 0.00 C ATOM 883 C ARG A 58 -17.113 26.863 -10.907 1.00 0.00 C ATOM 884 O ARG A 58 -17.146 25.808 -10.271 1.00 0.00 O ATOM 885 CB ARG A 58 -15.651 26.339 -12.908 1.00 0.00 C ATOM 886 CG ARG A 58 -15.511 26.217 -14.437 1.00 0.00 C ATOM 887 CD ARG A 58 -14.150 25.639 -14.851 1.00 0.00 C ATOM 888 NE ARG A 58 -14.007 24.217 -14.470 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.915 23.479 -14.572 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.797 23.954 -15.047 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.925 22.233 -14.195 1.00 0.00 N ATOM 0 H ARG A 58 -16.652 28.530 -13.587 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.792 26.078 -12.745 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.900 27.038 -12.539 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.435 25.371 -12.455 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.307 25.580 -14.823 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.640 27.199 -14.891 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.028 25.738 -15.930 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.354 26.220 -14.385 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.835 23.759 -14.090 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.745 24.925 -15.355 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.974 23.354 -15.111 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.779 21.821 -13.818 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.079 21.669 -14.276 1.00 0.00 H new ATOM 905 N ASN A 59 -17.204 28.057 -10.307 1.00 0.00 N ATOM 906 CA ASN A 59 -17.495 28.217 -8.873 1.00 0.00 C ATOM 907 C ASN A 59 -18.952 27.815 -8.506 1.00 0.00 C ATOM 908 O ASN A 59 -19.274 27.543 -7.349 1.00 0.00 O ATOM 909 CB ASN A 59 -17.219 29.684 -8.501 1.00 0.00 C ATOM 910 CG ASN A 59 -17.468 30.063 -7.046 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.358 29.270 -6.121 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.776 31.318 -6.799 1.00 0.00 N ATOM 0 H ASN A 59 -17.078 28.941 -10.801 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.853 27.545 -8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.180 29.910 -8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.838 30.321 -9.133 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.922 31.628 -5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.868 31.981 -7.568 1.00 0.00 H new ATOM 919 N GLY A 60 -19.833 27.728 -9.506 1.00 0.00 N ATOM 920 CA GLY A 60 -21.264 27.422 -9.359 1.00 0.00 C ATOM 921 C GLY A 60 -22.157 28.665 -9.219 1.00 0.00 C ATOM 922 O GLY A 60 -23.321 28.545 -8.833 1.00 0.00 O ATOM 0 H GLY A 60 -19.562 27.874 -10.478 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.593 26.846 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.402 26.788 -8.483 1.00 0.00 H new ATOM 926 N MET A 61 -21.621 29.851 -9.532 1.00 0.00 N ATOM 927 CA MET A 61 -22.324 31.137 -9.561 1.00 0.00 C ATOM 928 C MET A 61 -22.445 31.659 -10.999 1.00 0.00 C ATOM 929 O MET A 61 -21.555 31.439 -11.822 1.00 0.00 O ATOM 930 CB MET A 61 -21.577 32.119 -8.646 1.00 0.00 C ATOM 931 CG MET A 61 -22.327 33.434 -8.387 1.00 0.00 C ATOM 932 SD MET A 61 -24.023 33.291 -7.753 1.00 0.00 S ATOM 933 CE MET A 61 -23.695 32.679 -6.076 1.00 0.00 C ATOM 0 H MET A 61 -20.637 29.943 -9.784 1.00 0.00 H new ATOM 0 HA MET A 61 -23.343 31.020 -9.192 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.382 31.631 -7.691 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.609 32.348 -9.091 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.746 34.023 -7.677 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.358 33.998 -9.319 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.639 32.538 -5.549 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.165 31.728 -6.133 1.00 0.00 H new ATOM 0 HE3 MET A 61 -23.084 33.403 -5.537 1.00 0.00 H new ATOM 943 N GLU A 62 -23.524 32.379 -11.310 1.00 0.00 N ATOM 944 CA GLU A 62 -23.668 33.067 -12.596 1.00 0.00 C ATOM 945 C GLU A 62 -22.666 34.227 -12.686 1.00 0.00 C ATOM 946 O GLU A 62 -22.776 35.228 -11.972 1.00 0.00 O ATOM 947 CB GLU A 62 -25.120 33.518 -12.823 1.00 0.00 C ATOM 948 CG GLU A 62 -25.323 34.002 -14.267 1.00 0.00 C ATOM 949 CD GLU A 62 -26.776 34.449 -14.524 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.699 33.598 -14.473 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.005 35.652 -14.800 1.00 0.00 O ATOM 0 H GLU A 62 -24.319 32.502 -10.683 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.435 32.371 -13.402 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.799 32.692 -12.613 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.369 34.320 -12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.646 34.832 -14.470 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.062 33.201 -14.959 1.00 0.00 H new ATOM 958 N GLY A 63 -21.662 34.073 -13.549 1.00 0.00 N ATOM 959 CA GLY A 63 -20.671 35.097 -13.843 1.00 0.00 C ATOM 960 C GLY A 63 -21.173 36.113 -14.870 1.00 0.00 C ATOM 961 O GLY A 63 -21.931 35.767 -15.778 1.00 0.00 O ATOM 0 H GLY A 63 -21.515 33.210 -14.073 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.404 35.616 -12.922 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.763 34.624 -14.217 1.00 0.00 H new ATOM 965 N THR A 64 -20.709 37.359 -14.779 1.00 0.00 N ATOM 966 CA THR A 64 -20.978 38.408 -15.778 1.00 0.00 C ATOM 967 C THR A 64 -19.767 38.655 -16.665 1.00 0.00 C ATOM 968 O THR A 64 -18.642 38.647 -16.175 1.00 0.00 O ATOM 969 CB THR A 64 -21.410 39.722 -15.112 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.538 39.508 -14.288 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.793 40.812 -16.118 1.00 0.00 C ATOM 0 H THR A 64 -20.129 37.678 -14.003 1.00 0.00 H new ATOM 0 HA THR A 64 -21.798 38.048 -16.400 1.00 0.00 H new ATOM 0 HB THR A 64 -20.545 40.056 -14.539 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.802 40.353 -13.868 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.088 41.714 -15.582 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.939 41.033 -16.758 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.625 40.465 -16.731 1.00 0.00 H new ATOM 979 N LEU A 65 -19.990 38.842 -17.967 1.00 0.00 N ATOM 980 CA LEU A 65 -18.953 39.029 -18.984 1.00 0.00 C ATOM 981 C LEU A 65 -18.099 40.279 -18.671 1.00 0.00 C ATOM 982 O LEU A 65 -18.635 41.388 -18.579 1.00 0.00 O ATOM 983 CB LEU A 65 -19.683 39.076 -20.343 1.00 0.00 C ATOM 984 CG LEU A 65 -18.866 38.872 -21.633 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.768 39.215 -22.822 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.587 39.697 -21.767 1.00 0.00 C ATOM 0 H LEU A 65 -20.932 38.868 -18.357 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.231 38.212 -19.003 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.465 38.316 -20.324 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.180 40.043 -20.417 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.539 37.833 -21.602 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.213 39.079 -23.751 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.638 38.559 -22.820 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.095 40.252 -22.743 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.102 39.465 -22.715 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.834 40.758 -21.736 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.912 39.457 -20.946 1.00 0.00 H new