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 Set 1.1: A 37 ASN : amide:sc= 0.993 K(o=0.99,f=-0.00086) USER MOD Set 1.2: A 59 ASN : amide:sc=-0.00378 X(o=0.99,f=0.97) USER MOD Single : A 29 GLN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD Single : A 33 TYR OH : rot -165:sc= 0.541 USER MOD Single : A 35 THR OG1 : rot -68:sc= 0.395 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.61 USER MOD Single : A 61 MET CE :methyl 176:sc= 0 (180deg=-0.0526) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.300 31.175 -29.668 1.00 0.00 N ATOM 438 CA GLN A 29 -14.152 32.334 -28.780 1.00 0.00 C ATOM 439 C GLN A 29 -14.006 31.833 -27.340 1.00 0.00 C ATOM 440 O GLN A 29 -14.910 31.185 -26.830 1.00 0.00 O ATOM 441 CB GLN A 29 -15.392 33.250 -28.826 1.00 0.00 C ATOM 442 CG GLN A 29 -15.848 33.698 -30.222 1.00 0.00 C ATOM 443 CD GLN A 29 -17.191 33.091 -30.614 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.126 33.774 -31.003 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.320 31.785 -30.528 1.00 0.00 N ATOM 0 HA GLN A 29 -13.279 32.898 -29.109 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.221 32.731 -28.344 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.184 34.139 -28.231 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.922 34.785 -30.246 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.095 33.413 -30.957 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.539 31.216 -30.203 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.201 31.341 -30.786 1.00 0.00 H new ATOM 454 N ILE A 30 -12.911 32.124 -26.652 1.00 0.00 N ATOM 455 CA ILE A 30 -12.783 31.865 -25.211 1.00 0.00 C ATOM 456 C ILE A 30 -13.130 33.168 -24.478 1.00 0.00 C ATOM 457 O ILE A 30 -12.319 34.095 -24.445 1.00 0.00 O ATOM 458 CB ILE A 30 -11.381 31.333 -24.828 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.784 30.292 -25.804 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.448 30.773 -23.396 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.638 29.050 -26.060 1.00 0.00 C ATOM 0 H ILE A 30 -12.082 32.546 -27.070 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.471 31.074 -24.914 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.695 32.177 -24.891 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.597 30.783 -26.759 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.817 29.971 -25.416 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.468 30.393 -23.108 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.746 31.565 -22.709 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.177 29.964 -23.355 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.122 28.391 -26.758 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.805 28.524 -25.120 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.597 29.349 -26.484 1.00 0.00 H new ATOM 473 N ALA A 31 -14.324 33.259 -23.893 1.00 0.00 N ATOM 474 CA ALA A 31 -14.773 34.441 -23.159 1.00 0.00 C ATOM 475 C ALA A 31 -14.534 34.254 -21.655 1.00 0.00 C ATOM 476 O ALA A 31 -14.244 33.150 -21.190 1.00 0.00 O ATOM 477 CB ALA A 31 -16.247 34.696 -23.499 1.00 0.00 C ATOM 0 H ALA A 31 -15.013 32.507 -23.916 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.200 35.320 -23.454 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.598 35.575 -22.959 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.349 34.864 -24.571 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.842 33.830 -23.209 1.00 0.00 H new ATOM 483 N ARG A 32 -14.639 35.334 -20.879 1.00 0.00 N ATOM 484 CA ARG A 32 -14.490 35.314 -19.417 1.00 0.00 C ATOM 485 C ARG A 32 -15.717 35.886 -18.727 1.00 0.00 C ATOM 486 O ARG A 32 -16.410 36.740 -19.283 1.00 0.00 O ATOM 487 CB ARG A 32 -13.197 36.032 -18.999 1.00 0.00 C ATOM 488 CG ARG A 32 -11.991 35.087 -19.081 1.00 0.00 C ATOM 489 CD ARG A 32 -10.651 35.831 -18.973 1.00 0.00 C ATOM 490 NE ARG A 32 -10.113 35.818 -17.599 1.00 0.00 N ATOM 491 CZ ARG A 32 -10.317 36.709 -16.646 1.00 0.00 C ATOM 492 NH1 ARG A 32 -11.031 37.782 -16.806 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.810 36.557 -15.461 1.00 0.00 N ATOM 0 H ARG A 32 -14.833 36.264 -21.251 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.408 34.277 -19.092 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.032 36.895 -19.644 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.299 36.409 -17.981 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.058 34.348 -18.282 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.025 34.541 -20.024 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.928 35.373 -19.648 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.783 36.863 -19.299 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.514 35.029 -17.357 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.470 37.973 -17.707 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.153 38.434 -16.031 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.241 35.737 -15.251 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.980 37.258 -14.740 1.00 0.00 H new ATOM 507 N TYR A 33 -15.950 35.425 -17.501 1.00 0.00 N ATOM 508 CA TYR A 33 -17.047 35.871 -16.637 1.00 0.00 C ATOM 509 C TYR A 33 -16.630 35.979 -15.157 1.00 0.00 C ATOM 510 O TYR A 33 -15.930 35.108 -14.635 1.00 0.00 O ATOM 511 CB TYR A 33 -18.253 34.941 -16.799 1.00 0.00 C ATOM 512 CG TYR A 33 -18.863 34.864 -18.184 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.307 34.034 -19.177 1.00 0.00 C ATOM 514 CD2 TYR A 33 -20.025 35.602 -18.460 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.936 33.922 -20.433 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.653 35.496 -19.709 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.136 34.621 -20.681 1.00 0.00 C ATOM 518 OH TYR A 33 -20.840 34.409 -21.820 1.00 0.00 O ATOM 0 H TYR A 33 -15.366 34.711 -17.066 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.324 36.877 -16.954 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.952 33.936 -16.502 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -19.027 35.261 -16.102 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.400 33.484 -18.976 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.438 36.255 -17.706 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.501 33.303 -21.203 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.532 36.085 -19.924 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.494 35.129 -21.939 1.00 0.00 H new ATOM 528 N ARG A 34 -17.080 37.042 -14.472 1.00 0.00 N ATOM 529 CA ARG A 34 -16.808 37.362 -13.054 1.00 0.00 C ATOM 530 C ARG A 34 -18.017 37.055 -12.168 1.00 0.00 C ATOM 531 O ARG A 34 -19.101 37.577 -12.417 1.00 0.00 O ATOM 532 CB ARG A 34 -16.415 38.849 -12.948 1.00 0.00 C ATOM 533 CG ARG A 34 -15.997 39.274 -11.532 1.00 0.00 C ATOM 534 CD ARG A 34 -15.501 40.723 -11.566 1.00 0.00 C ATOM 535 NE ARG A 34 -15.156 41.224 -10.221 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.955 41.327 -9.676 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.857 40.966 -10.276 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.832 41.810 -8.473 1.00 0.00 N ATOM 0 H ARG A 34 -17.676 37.742 -14.913 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.988 36.738 -12.699 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.594 39.049 -13.636 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.257 39.463 -13.269 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.841 39.182 -10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.211 38.617 -11.159 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.626 40.791 -12.213 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.271 41.359 -12.003 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.939 41.528 -9.642 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.895 40.579 -11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.959 41.070 -9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.659 42.107 -7.956 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.908 41.892 -8.048 1.00 0.00 H new ATOM 552 N THR A 35 -17.828 36.230 -11.142 1.00 0.00 N ATOM 553 CA THR A 35 -18.875 35.806 -10.190 1.00 0.00 C ATOM 554 C THR A 35 -19.151 36.878 -9.136 1.00 0.00 C ATOM 555 O THR A 35 -18.481 37.912 -9.076 1.00 0.00 O ATOM 556 CB THR A 35 -18.527 34.501 -9.463 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.378 34.687 -8.692 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.307 33.330 -10.399 1.00 0.00 C ATOM 0 H THR A 35 -16.917 35.820 -10.935 1.00 0.00 H new ATOM 0 HA THR A 35 -19.763 35.644 -10.801 1.00 0.00 H new ATOM 0 HB THR A 35 -19.386 34.256 -8.838 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.607 34.823 -9.281 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.065 32.440 -9.818 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.214 33.150 -10.976 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.484 33.556 -11.077 1.00 0.00 H new ATOM 566 N ASP A 36 -20.105 36.613 -8.244 1.00 0.00 N ATOM 567 CA ASP A 36 -20.497 37.566 -7.206 1.00 0.00 C ATOM 568 C ASP A 36 -19.460 37.719 -6.077 1.00 0.00 C ATOM 569 O ASP A 36 -19.479 38.735 -5.379 1.00 0.00 O ATOM 570 CB ASP A 36 -21.883 37.179 -6.675 1.00 0.00 C ATOM 571 CG ASP A 36 -22.492 38.260 -5.762 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.791 39.373 -6.258 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.715 37.986 -4.558 1.00 0.00 O ATOM 0 H ASP A 36 -20.626 35.736 -8.220 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.543 38.556 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.553 37.000 -7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.808 36.243 -6.122 1.00 0.00 H new ATOM 578 N ASN A 37 -18.505 36.784 -5.932 1.00 0.00 N ATOM 579 CA ASN A 37 -17.376 36.972 -5.003 1.00 0.00 C ATOM 580 C ASN A 37 -16.159 37.658 -5.672 1.00 0.00 C ATOM 581 O ASN A 37 -15.100 37.788 -5.053 1.00 0.00 O ATOM 582 CB ASN A 37 -16.977 35.658 -4.316 1.00 0.00 C ATOM 583 CG ASN A 37 -18.104 34.717 -3.937 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.164 35.095 -3.454 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.875 33.440 -4.125 1.00 0.00 N ATOM 0 H ASN A 37 -18.491 35.900 -6.440 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.728 37.653 -4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.295 35.123 -4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.420 35.903 -3.412 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.583 32.752 -3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.989 33.135 -4.528 1.00 0.00 H new ATOM 592 N GLY A 38 -16.278 38.047 -6.948 1.00 0.00 N ATOM 593 CA GLY A 38 -15.172 38.498 -7.801 1.00 0.00 C ATOM 594 C GLY A 38 -14.332 37.376 -8.408 1.00 0.00 C ATOM 595 O GLY A 38 -13.278 37.652 -8.983 1.00 0.00 O ATOM 0 H GLY A 38 -17.177 38.057 -7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.580 39.105 -8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.519 39.144 -7.214 1.00 0.00 H new ATOM 599 N GLU A 39 -14.759 36.119 -8.279 1.00 0.00 N ATOM 600 CA GLU A 39 -14.020 34.974 -8.827 1.00 0.00 C ATOM 601 C GLU A 39 -14.225 34.947 -10.348 1.00 0.00 C ATOM 602 O GLU A 39 -15.359 34.848 -10.814 1.00 0.00 O ATOM 603 CB GLU A 39 -14.464 33.642 -8.182 1.00 0.00 C ATOM 604 CG GLU A 39 -14.815 33.758 -6.692 1.00 0.00 C ATOM 605 CD GLU A 39 -14.575 32.501 -5.837 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.568 31.777 -6.028 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.393 32.279 -4.910 1.00 0.00 O ATOM 0 H GLU A 39 -15.620 35.864 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.961 35.089 -8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.331 33.260 -8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.667 32.909 -8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.236 34.577 -6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.866 34.034 -6.608 1.00 0.00 H new ATOM 614 N GLU A 40 -13.153 35.052 -11.128 1.00 0.00 N ATOM 615 CA GLU A 40 -13.220 35.097 -12.597 1.00 0.00 C ATOM 616 C GLU A 40 -12.837 33.754 -13.237 1.00 0.00 C ATOM 617 O GLU A 40 -11.796 33.170 -12.926 1.00 0.00 O ATOM 618 CB GLU A 40 -12.330 36.224 -13.145 1.00 0.00 C ATOM 619 CG GLU A 40 -12.949 37.600 -12.882 1.00 0.00 C ATOM 620 CD GLU A 40 -12.058 38.783 -13.300 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.162 38.619 -14.164 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.279 39.897 -12.771 1.00 0.00 O ATOM 0 H GLU A 40 -12.203 35.109 -10.762 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.257 35.301 -12.864 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.345 36.171 -12.680 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.185 36.087 -14.217 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.897 37.667 -13.416 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.175 37.687 -11.819 1.00 0.00 H new ATOM 629 N PHE A 41 -13.684 33.289 -14.161 1.00 0.00 N ATOM 630 CA PHE A 41 -13.544 32.033 -14.902 1.00 0.00 C ATOM 631 C PHE A 41 -13.651 32.255 -16.411 1.00 0.00 C ATOM 632 O PHE A 41 -14.164 33.270 -16.881 1.00 0.00 O ATOM 633 CB PHE A 41 -14.618 31.032 -14.451 1.00 0.00 C ATOM 634 CG PHE A 41 -14.482 30.583 -13.012 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.961 31.377 -11.951 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.844 29.362 -12.731 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.756 30.958 -10.630 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.608 28.964 -11.405 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.054 29.773 -10.350 1.00 0.00 C ATOM 0 H PHE A 41 -14.525 33.803 -14.424 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.554 31.631 -14.687 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.600 31.484 -14.588 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.577 30.156 -15.099 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.482 32.301 -12.155 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.532 28.723 -13.544 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.142 31.553 -9.816 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.086 28.041 -11.199 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.859 29.487 -9.327 1.00 0.00 H new ATOM 649 N GLU A 42 -13.199 31.263 -17.172 1.00 0.00 N ATOM 650 CA GLU A 42 -13.194 31.244 -18.633 1.00 0.00 C ATOM 651 C GLU A 42 -14.216 30.231 -19.175 1.00 0.00 C ATOM 652 O GLU A 42 -14.322 29.108 -18.674 1.00 0.00 O ATOM 653 CB GLU A 42 -11.794 30.931 -19.195 1.00 0.00 C ATOM 654 CG GLU A 42 -10.622 31.600 -18.454 1.00 0.00 C ATOM 655 CD GLU A 42 -10.001 30.716 -17.348 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.713 29.874 -16.747 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.789 30.873 -17.065 1.00 0.00 O ATOM 0 H GLU A 42 -12.808 30.411 -16.770 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.477 32.243 -18.966 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.646 29.851 -19.175 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.764 31.238 -20.241 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.848 31.860 -19.176 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.970 32.532 -18.009 1.00 0.00 H new ATOM 664 N VAL A 43 -14.946 30.623 -20.220 1.00 0.00 N ATOM 665 CA VAL A 43 -15.953 29.806 -20.917 1.00 0.00 C ATOM 666 C VAL A 43 -15.665 29.776 -22.431 1.00 0.00 C ATOM 667 O VAL A 43 -15.829 30.795 -23.107 1.00 0.00 O ATOM 668 CB VAL A 43 -17.384 30.309 -20.643 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.415 29.366 -21.273 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.699 30.423 -19.145 1.00 0.00 C ATOM 0 H VAL A 43 -14.852 31.555 -20.624 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.885 28.790 -20.527 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.442 31.303 -21.087 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.420 29.737 -21.069 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.256 29.321 -22.350 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.303 28.369 -20.848 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.720 30.782 -19.014 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.595 29.445 -18.676 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -17.006 31.124 -18.680 1.00 0.00 H new ATOM 680 N PRO A 44 -15.233 28.628 -22.988 1.00 0.00 N ATOM 681 CA PRO A 44 -15.108 28.409 -24.427 1.00 0.00 C ATOM 682 C PRO A 44 -16.464 28.346 -25.147 1.00 0.00 C ATOM 683 O PRO A 44 -17.362 27.589 -24.767 1.00 0.00 O ATOM 684 CB PRO A 44 -14.336 27.096 -24.592 1.00 0.00 C ATOM 685 CG PRO A 44 -13.612 26.925 -23.262 1.00 0.00 C ATOM 686 CD PRO A 44 -14.592 27.542 -22.272 1.00 0.00 C ATOM 0 HA PRO A 44 -14.587 29.249 -24.886 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.007 26.261 -24.791 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.635 27.147 -25.425 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.416 25.876 -23.039 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.650 27.438 -23.254 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.324 26.808 -21.935 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.076 27.908 -21.385 1.00 0.00 H new ATOM 694 N PHE A 45 -16.578 29.117 -26.223 1.00 0.00 N ATOM 695 CA PHE A 45 -17.683 29.126 -27.194 1.00 0.00 C ATOM 696 C PHE A 45 -17.183 28.789 -28.609 1.00 0.00 C ATOM 697 O PHE A 45 -16.072 29.162 -28.985 1.00 0.00 O ATOM 698 CB PHE A 45 -18.365 30.503 -27.168 1.00 0.00 C ATOM 699 CG PHE A 45 -19.251 30.746 -25.957 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.691 31.236 -24.763 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.641 30.530 -26.028 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.507 31.493 -23.650 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.457 30.789 -24.908 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.886 31.250 -23.708 1.00 0.00 C ATOM 0 H PHE A 45 -15.858 29.799 -26.462 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.406 28.359 -26.916 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.597 31.275 -27.201 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -18.967 30.613 -28.070 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.628 31.415 -24.702 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.083 30.165 -26.943 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.069 31.881 -22.742 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.524 30.633 -24.972 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.505 31.415 -22.839 1.00 0.00 H new ATOM 714 N ALA A 46 -18.005 28.143 -29.439 1.00 0.00 N ATOM 715 CA ALA A 46 -17.709 27.881 -30.853 1.00 0.00 C ATOM 716 C ALA A 46 -18.196 29.040 -31.739 1.00 0.00 C ATOM 717 O ALA A 46 -19.104 29.774 -31.352 1.00 0.00 O ATOM 718 CB ALA A 46 -18.344 26.544 -31.251 1.00 0.00 C ATOM 0 H ALA A 46 -18.911 27.780 -29.144 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.631 27.812 -31.000 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.131 26.338 -32.300 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.931 25.747 -30.633 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.423 26.595 -31.103 1.00 0.00 H new ATOM 724 N ASP A 47 -17.628 29.217 -32.935 1.00 0.00 N ATOM 725 CA ASP A 47 -17.990 30.315 -33.857 1.00 0.00 C ATOM 726 C ASP A 47 -19.462 30.268 -34.328 1.00 0.00 C ATOM 727 O ASP A 47 -20.021 31.278 -34.758 1.00 0.00 O ATOM 728 CB ASP A 47 -17.026 30.301 -35.048 1.00 0.00 C ATOM 729 CG ASP A 47 -17.076 31.597 -35.872 1.00 0.00 C ATOM 730 OD1 ASP A 47 -16.485 32.605 -35.414 1.00 0.00 O ATOM 731 OD2 ASP A 47 -17.630 31.592 -36.996 1.00 0.00 O ATOM 0 H ASP A 47 -16.899 28.603 -33.300 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.896 31.252 -33.308 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.010 30.146 -34.685 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.266 29.456 -35.694 1.00 0.00 H new ATOM 736 N ASP A 48 -20.108 29.100 -34.222 1.00 0.00 N ATOM 737 CA ASP A 48 -21.546 28.908 -34.477 1.00 0.00 C ATOM 738 C ASP A 48 -22.448 29.481 -33.353 1.00 0.00 C ATOM 739 O ASP A 48 -23.645 29.698 -33.557 1.00 0.00 O ATOM 740 CB ASP A 48 -21.794 27.407 -34.681 1.00 0.00 C ATOM 741 CG ASP A 48 -23.229 27.097 -35.143 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.601 27.490 -36.276 1.00 0.00 O ATOM 743 OD2 ASP A 48 -23.977 26.418 -34.396 1.00 0.00 O ATOM 0 H ASP A 48 -19.635 28.238 -33.950 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.819 29.467 -35.372 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.089 27.024 -35.419 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.596 26.880 -33.747 1.00 0.00 H new ATOM 748 N ALA A 49 -21.870 29.747 -32.177 1.00 0.00 N ATOM 749 CA ALA A 49 -22.508 30.344 -31.001 1.00 0.00 C ATOM 750 C ALA A 49 -22.107 31.824 -30.808 1.00 0.00 C ATOM 751 O ALA A 49 -21.285 32.378 -31.542 1.00 0.00 O ATOM 752 CB ALA A 49 -22.146 29.479 -29.782 1.00 0.00 C ATOM 0 H ALA A 49 -20.885 29.538 -32.012 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.590 30.358 -31.134 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.607 29.899 -28.888 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.510 28.463 -29.936 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.063 29.461 -29.657 1.00 0.00 H new ATOM 758 N GLU A 50 -22.681 32.468 -29.790 1.00 0.00 N ATOM 759 CA GLU A 50 -22.337 33.819 -29.323 1.00 0.00 C ATOM 760 C GLU A 50 -22.183 33.861 -27.791 1.00 0.00 C ATOM 761 O GLU A 50 -22.611 32.937 -27.100 1.00 0.00 O ATOM 762 CB GLU A 50 -23.388 34.825 -29.826 1.00 0.00 C ATOM 763 CG GLU A 50 -24.777 34.659 -29.189 1.00 0.00 C ATOM 764 CD GLU A 50 -25.785 35.652 -29.801 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.867 36.812 -29.327 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.510 35.279 -30.755 1.00 0.00 O ATOM 0 H GLU A 50 -23.431 32.047 -29.242 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.369 34.101 -29.738 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.030 35.836 -29.630 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.482 34.724 -30.907 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.130 33.638 -29.337 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.710 34.820 -28.113 1.00 0.00 H new ATOM 773 N ILE A 51 -21.584 34.935 -27.265 1.00 0.00 N ATOM 774 CA ILE A 51 -21.355 35.202 -25.838 1.00 0.00 C ATOM 775 C ILE A 51 -22.549 35.995 -25.285 1.00 0.00 C ATOM 776 O ILE A 51 -22.701 37.183 -25.595 1.00 0.00 O ATOM 777 CB ILE A 51 -20.039 35.985 -25.601 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.893 35.539 -26.533 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.599 35.915 -24.128 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.488 34.068 -26.436 1.00 0.00 C ATOM 0 H ILE A 51 -21.225 35.685 -27.856 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.260 34.249 -25.318 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.261 37.023 -25.848 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.185 35.748 -27.562 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.017 36.152 -26.319 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.673 36.475 -23.998 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.375 36.346 -23.496 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.437 34.875 -23.846 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.675 33.868 -27.134 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.157 33.848 -25.421 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.343 33.438 -26.683 1.00 0.00 H new ATOM 792 N PRO A 52 -23.412 35.370 -24.475 1.00 0.00 N ATOM 793 CA PRO A 52 -24.455 36.064 -23.739 1.00 0.00 C ATOM 794 C PRO A 52 -23.836 36.928 -22.632 1.00 0.00 C ATOM 795 O PRO A 52 -22.783 36.596 -22.084 1.00 0.00 O ATOM 796 CB PRO A 52 -25.362 34.961 -23.194 1.00 0.00 C ATOM 797 CG PRO A 52 -24.434 33.758 -23.061 1.00 0.00 C ATOM 798 CD PRO A 52 -23.414 33.954 -24.174 1.00 0.00 C ATOM 0 HA PRO A 52 -25.027 36.754 -24.359 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.797 35.239 -22.234 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.191 34.754 -23.871 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.956 33.729 -22.082 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.977 32.820 -23.178 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.425 33.622 -23.859 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.681 33.369 -25.054 1.00 0.00 H new ATOM 806 N GLY A 53 -24.516 38.023 -22.284 1.00 0.00 N ATOM 807 CA GLY A 53 -24.102 39.000 -21.262 1.00 0.00 C ATOM 808 C GLY A 53 -23.691 38.394 -19.913 1.00 0.00 C ATOM 809 O GLY A 53 -22.832 38.950 -19.225 1.00 0.00 O ATOM 0 H GLY A 53 -25.405 38.267 -22.720 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.265 39.579 -21.653 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.922 39.698 -21.095 1.00 0.00 H new ATOM 813 N THR A 54 -24.266 37.247 -19.532 1.00 0.00 N ATOM 814 CA THR A 54 -23.814 36.461 -18.379 1.00 0.00 C ATOM 815 C THR A 54 -23.844 34.944 -18.653 1.00 0.00 C ATOM 816 O THR A 54 -24.547 34.480 -19.556 1.00 0.00 O ATOM 817 CB THR A 54 -24.698 36.734 -17.145 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.048 36.391 -17.393 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.756 38.199 -16.721 1.00 0.00 C ATOM 0 H THR A 54 -25.063 36.836 -20.018 1.00 0.00 H new ATOM 0 HA THR A 54 -22.786 36.770 -18.192 1.00 0.00 H new ATOM 0 HB THR A 54 -24.230 36.131 -16.367 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.584 36.573 -16.593 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.399 38.300 -15.847 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.753 38.547 -16.475 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.158 38.799 -17.538 1.00 0.00 H new ATOM 827 N TRP A 55 -23.082 34.163 -17.876 1.00 0.00 N ATOM 828 CA TRP A 55 -22.957 32.699 -17.982 1.00 0.00 C ATOM 829 C TRP A 55 -22.491 32.073 -16.655 1.00 0.00 C ATOM 830 O TRP A 55 -21.757 32.697 -15.889 1.00 0.00 O ATOM 831 CB TRP A 55 -21.980 32.331 -19.106 1.00 0.00 C ATOM 832 CG TRP A 55 -21.993 30.896 -19.530 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.184 29.935 -19.044 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.816 30.236 -20.539 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.409 28.745 -19.700 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.412 28.870 -20.637 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.853 30.662 -21.393 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.998 27.977 -21.548 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.454 29.774 -22.309 1.00 0.00 C ATOM 840 CH2 TRP A 55 -24.026 28.436 -22.389 1.00 0.00 C ATOM 0 H TRP A 55 -22.511 34.548 -17.124 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.944 32.298 -18.214 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.204 32.950 -19.975 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.971 32.587 -18.784 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.462 30.077 -18.253 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.898 27.881 -19.516 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.193 31.686 -21.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.663 26.952 -21.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.248 30.123 -22.953 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.487 27.762 -23.096 1.00 0.00 H new ATOM 851 N LEU A 56 -22.920 30.845 -16.349 1.00 0.00 N ATOM 852 CA LEU A 56 -22.565 30.141 -15.110 1.00 0.00 C ATOM 853 C LEU A 56 -21.069 29.763 -15.075 1.00 0.00 C ATOM 854 O LEU A 56 -20.556 29.109 -15.987 1.00 0.00 O ATOM 855 CB LEU A 56 -23.478 28.907 -14.955 1.00 0.00 C ATOM 856 CG LEU A 56 -24.104 28.758 -13.559 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.165 27.658 -13.578 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.067 28.384 -12.505 1.00 0.00 C ATOM 0 H LEU A 56 -23.531 30.304 -16.961 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.725 30.807 -14.262 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.276 28.965 -15.695 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.900 28.011 -15.179 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.541 29.723 -13.304 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.604 27.559 -12.585 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.944 27.916 -14.295 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.705 26.713 -13.867 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.553 28.289 -11.534 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.602 27.435 -12.772 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.303 29.160 -12.454 1.00 0.00 H new ATOM 870 N CYS A 57 -20.375 30.152 -14.007 1.00 0.00 N ATOM 871 CA CYS A 57 -18.947 29.894 -13.802 1.00 0.00 C ATOM 872 C CYS A 57 -18.680 28.581 -13.051 1.00 0.00 C ATOM 873 O CYS A 57 -19.563 28.033 -12.384 1.00 0.00 O ATOM 874 CB CYS A 57 -18.325 31.076 -13.050 1.00 0.00 C ATOM 875 SG CYS A 57 -18.220 32.512 -14.142 1.00 0.00 S ATOM 0 H CYS A 57 -20.800 30.670 -13.238 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.486 29.786 -14.784 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.926 31.318 -12.174 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.331 30.808 -12.691 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.694 33.510 -13.497 1.00 0.00 H new ATOM 881 N ARG A 58 -17.425 28.106 -13.083 1.00 0.00 N ATOM 882 CA ARG A 58 -17.017 26.820 -12.478 1.00 0.00 C ATOM 883 C ARG A 58 -17.046 26.814 -10.938 1.00 0.00 C ATOM 884 O ARG A 58 -17.044 25.743 -10.331 1.00 0.00 O ATOM 885 CB ARG A 58 -15.653 26.343 -13.030 1.00 0.00 C ATOM 886 CG ARG A 58 -15.484 26.536 -14.551 1.00 0.00 C ATOM 887 CD ARG A 58 -14.229 25.864 -15.126 1.00 0.00 C ATOM 888 NE ARG A 58 -12.957 26.470 -14.688 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.263 27.396 -15.328 1.00 0.00 C ATOM 890 NH1 ARG A 58 -12.673 27.995 -16.404 1.00 0.00 N ATOM 891 NH2 ARG A 58 -11.120 27.821 -14.883 1.00 0.00 N ATOM 0 H ARG A 58 -16.656 28.604 -13.532 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.776 26.099 -12.780 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.857 26.882 -12.516 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.527 25.287 -12.793 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.363 26.137 -15.058 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.446 27.603 -14.770 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.233 24.812 -14.842 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.279 25.900 -16.214 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.574 26.141 -13.802 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.581 27.759 -16.805 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.087 28.702 -16.849 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.735 27.440 -14.019 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.606 28.536 -15.398 1.00 0.00 H new ATOM 905 N ASN A 59 -17.152 27.991 -10.306 1.00 0.00 N ATOM 906 CA ASN A 59 -17.439 28.157 -8.870 1.00 0.00 C ATOM 907 C ASN A 59 -18.886 27.751 -8.488 1.00 0.00 C ATOM 908 O ASN A 59 -19.193 27.517 -7.319 1.00 0.00 O ATOM 909 CB ASN A 59 -17.176 29.639 -8.537 1.00 0.00 C ATOM 910 CG ASN A 59 -17.403 30.070 -7.094 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.219 29.326 -6.141 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.748 31.323 -6.891 1.00 0.00 N ATOM 0 H ASN A 59 -17.038 28.881 -10.791 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.797 27.493 -8.291 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.144 29.868 -8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.813 30.249 -9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.862 31.673 -5.940 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.902 31.945 -7.685 1.00 0.00 H new ATOM 919 N GLY A 60 -19.781 27.651 -9.475 1.00 0.00 N ATOM 920 CA GLY A 60 -21.211 27.384 -9.290 1.00 0.00 C ATOM 921 C GLY A 60 -22.061 28.651 -9.127 1.00 0.00 C ATOM 922 O GLY A 60 -23.223 28.552 -8.726 1.00 0.00 O ATOM 0 H GLY A 60 -19.522 27.757 -10.456 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.579 26.818 -10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.343 26.754 -8.411 1.00 0.00 H new ATOM 926 N MET A 61 -21.502 29.833 -9.429 1.00 0.00 N ATOM 927 CA MET A 61 -22.198 31.123 -9.394 1.00 0.00 C ATOM 928 C MET A 61 -22.355 31.712 -10.802 1.00 0.00 C ATOM 929 O MET A 61 -21.505 31.513 -11.672 1.00 0.00 O ATOM 930 CB MET A 61 -21.453 32.074 -8.439 1.00 0.00 C ATOM 931 CG MET A 61 -22.269 33.319 -8.055 1.00 0.00 C ATOM 932 SD MET A 61 -23.911 32.978 -7.354 1.00 0.00 S ATOM 933 CE MET A 61 -24.539 34.667 -7.156 1.00 0.00 C ATOM 0 H MET A 61 -20.526 29.917 -9.712 1.00 0.00 H new ATOM 0 HA MET A 61 -23.210 30.979 -9.014 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.186 31.530 -7.533 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.521 32.390 -8.907 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.696 33.901 -7.333 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.391 33.942 -8.941 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.569 34.633 -6.801 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.923 35.202 -6.433 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.503 35.183 -8.115 1.00 0.00 H new ATOM 943 N GLU A 62 -23.432 32.463 -11.031 1.00 0.00 N ATOM 944 CA GLU A 62 -23.671 33.188 -12.284 1.00 0.00 C ATOM 945 C GLU A 62 -22.641 34.318 -12.456 1.00 0.00 C ATOM 946 O GLU A 62 -22.643 35.305 -11.716 1.00 0.00 O ATOM 947 CB GLU A 62 -25.112 33.726 -12.328 1.00 0.00 C ATOM 948 CG GLU A 62 -26.146 32.594 -12.407 1.00 0.00 C ATOM 949 CD GLU A 62 -27.577 33.158 -12.502 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.199 33.432 -11.446 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.098 33.321 -13.632 1.00 0.00 O ATOM 0 H GLU A 62 -24.175 32.588 -10.343 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.549 32.498 -13.119 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.301 34.329 -11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.227 34.383 -13.190 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.940 31.968 -13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.060 31.956 -11.527 1.00 0.00 H new ATOM 958 N GLY A 63 -21.735 34.149 -13.419 1.00 0.00 N ATOM 959 CA GLY A 63 -20.713 35.125 -13.784 1.00 0.00 C ATOM 960 C GLY A 63 -21.194 36.133 -14.829 1.00 0.00 C ATOM 961 O GLY A 63 -21.995 35.795 -15.700 1.00 0.00 O ATOM 0 H GLY A 63 -21.692 33.301 -13.984 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.395 35.661 -12.890 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.839 34.600 -14.169 1.00 0.00 H new ATOM 965 N THR A 64 -20.661 37.356 -14.796 1.00 0.00 N ATOM 966 CA THR A 64 -20.951 38.407 -15.789 1.00 0.00 C ATOM 967 C THR A 64 -19.759 38.676 -16.705 1.00 0.00 C ATOM 968 O THR A 64 -18.616 38.716 -16.248 1.00 0.00 O ATOM 969 CB THR A 64 -21.402 39.712 -15.112 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.516 39.474 -14.276 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.820 40.796 -16.113 1.00 0.00 C ATOM 0 H THR A 64 -20.007 37.654 -14.072 1.00 0.00 H new ATOM 0 HA THR A 64 -21.770 38.033 -16.404 1.00 0.00 H new ATOM 0 HB THR A 64 -20.538 40.061 -14.547 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.791 40.313 -13.851 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.127 41.691 -15.573 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.978 41.035 -16.763 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.652 40.433 -16.716 1.00 0.00 H new ATOM 979 N LEU A 65 -20.034 38.841 -18.000 1.00 0.00 N ATOM 980 CA LEU A 65 -19.059 38.905 -19.092 1.00 0.00 C ATOM 981 C LEU A 65 -18.068 40.074 -18.911 1.00 0.00 C ATOM 982 O LEU A 65 -18.469 41.240 -18.855 1.00 0.00 O ATOM 983 CB LEU A 65 -19.882 38.990 -20.398 1.00 0.00 C ATOM 984 CG LEU A 65 -19.183 38.814 -21.761 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.201 39.123 -22.864 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.974 39.708 -22.019 1.00 0.00 C ATOM 0 H LEU A 65 -20.993 38.939 -18.334 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.421 38.022 -19.112 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.667 38.236 -20.336 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.374 39.963 -20.409 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.813 37.789 -21.755 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.728 39.005 -23.839 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -21.044 38.437 -22.784 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.556 40.148 -22.755 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.567 39.494 -23.007 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.278 40.754 -21.970 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.212 39.516 -21.264 1.00 0.00 H new