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 Set 1.1: A 35 THR OG1 : rot -66:sc= 0.193 USER MOD Set 1.2: A 37 ASN : amide:sc= 0.489 X(o=0.069,f=0.23) USER MOD Set 1.3: A 59 ASN : amide:sc= -0.612 K(o=0.069,f=1.2) USER MOD Single : A 29 GLN : amide:sc= 0.684 K(o=0.68,f=0.016) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.467 USER MOD Single : A 54 THR OG1 : rot 156:sc= 0.397 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.66 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 -14.374 31.199 -29.585 1.00 0.00 N ATOM 438 CA GLN A 29 -14.376 32.451 -28.823 1.00 0.00 C ATOM 439 C GLN A 29 -14.265 32.123 -27.331 1.00 0.00 C ATOM 440 O GLN A 29 -15.216 31.657 -26.708 1.00 0.00 O ATOM 441 CB GLN A 29 -15.672 33.247 -29.073 1.00 0.00 C ATOM 442 CG GLN A 29 -15.999 33.532 -30.549 1.00 0.00 C ATOM 443 CD GLN A 29 -17.358 32.969 -30.944 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.229 33.661 -31.451 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.570 31.690 -30.718 1.00 0.00 N ATOM 0 HA GLN A 29 -13.531 33.059 -29.145 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.505 32.699 -28.634 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.602 34.198 -28.544 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.986 34.608 -30.723 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.227 33.097 -31.183 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.839 31.119 -30.295 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.466 31.270 -30.966 1.00 0.00 H new ATOM 454 N ILE A 30 -13.098 32.357 -26.747 1.00 0.00 N ATOM 455 CA ILE A 30 -12.884 32.209 -25.303 1.00 0.00 C ATOM 456 C ILE A 30 -13.296 33.523 -24.631 1.00 0.00 C ATOM 457 O ILE A 30 -12.587 34.527 -24.734 1.00 0.00 O ATOM 458 CB ILE A 30 -11.426 31.819 -24.962 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.783 30.789 -25.920 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.375 31.328 -23.504 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.539 29.470 -26.091 1.00 0.00 C ATOM 0 H ILE A 30 -12.267 32.656 -27.257 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.496 31.390 -24.926 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.822 32.717 -25.094 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.675 31.253 -26.901 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.779 30.565 -25.560 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.352 31.049 -23.249 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.710 32.125 -22.840 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.026 30.462 -23.389 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.996 28.827 -26.784 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.625 28.972 -25.125 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.535 29.670 -26.486 1.00 0.00 H new ATOM 473 N ALA A 31 -14.437 33.537 -23.951 1.00 0.00 N ATOM 474 CA ALA A 31 -14.867 34.664 -23.128 1.00 0.00 C ATOM 475 C ALA A 31 -14.506 34.422 -21.656 1.00 0.00 C ATOM 476 O ALA A 31 -14.337 33.285 -21.216 1.00 0.00 O ATOM 477 CB ALA A 31 -16.367 34.891 -23.333 1.00 0.00 C ATOM 0 H ALA A 31 -15.097 32.759 -23.955 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.344 35.571 -23.432 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.695 35.731 -22.721 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.562 35.109 -24.383 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.914 33.995 -23.041 1.00 0.00 H new ATOM 483 N ARG A 32 -14.396 35.497 -20.882 1.00 0.00 N ATOM 484 CA ARG A 32 -14.238 35.464 -19.423 1.00 0.00 C ATOM 485 C ARG A 32 -15.494 35.982 -18.736 1.00 0.00 C ATOM 486 O ARG A 32 -16.192 36.839 -19.283 1.00 0.00 O ATOM 487 CB ARG A 32 -12.965 36.236 -19.041 1.00 0.00 C ATOM 488 CG ARG A 32 -11.766 35.277 -19.062 1.00 0.00 C ATOM 489 CD ARG A 32 -10.414 35.986 -19.200 1.00 0.00 C ATOM 490 NE ARG A 32 -10.154 36.488 -20.567 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.713 35.792 -21.601 1.00 0.00 C ATOM 492 NH1 ARG A 32 -9.588 34.497 -21.595 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.346 36.410 -22.677 1.00 0.00 N ATOM 0 H ARG A 32 -14.414 36.445 -21.258 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.114 34.439 -19.074 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.801 37.058 -19.738 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.076 36.676 -18.050 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.766 34.689 -18.144 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.886 34.577 -19.889 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.376 36.821 -18.500 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.619 35.296 -18.916 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.335 37.479 -20.730 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.836 33.965 -20.761 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.242 34.014 -22.424 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.398 37.428 -22.724 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.005 35.880 -23.479 1.00 0.00 H new ATOM 507 N TYR A 33 -15.755 35.493 -17.525 1.00 0.00 N ATOM 508 CA TYR A 33 -16.868 35.937 -16.685 1.00 0.00 C ATOM 509 C TYR A 33 -16.470 36.008 -15.200 1.00 0.00 C ATOM 510 O TYR A 33 -15.730 35.154 -14.710 1.00 0.00 O ATOM 511 CB TYR A 33 -18.075 35.012 -16.852 1.00 0.00 C ATOM 512 CG TYR A 33 -18.687 34.929 -18.233 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.109 34.120 -19.229 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.877 35.622 -18.497 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.746 33.988 -20.478 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.504 35.507 -19.745 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.963 34.656 -20.723 1.00 0.00 C ATOM 518 OH TYR A 33 -20.651 34.446 -21.870 1.00 0.00 O ATOM 0 H TYR A 33 -15.189 34.764 -17.091 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.136 36.941 -17.013 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.777 34.007 -16.552 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.849 35.336 -16.157 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.181 33.603 -19.036 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.313 36.249 -17.733 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.302 33.375 -21.248 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.401 36.071 -19.954 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.314 35.158 -21.989 1.00 0.00 H new ATOM 528 N ARG A 34 -16.973 37.021 -14.482 1.00 0.00 N ATOM 529 CA ARG A 34 -16.715 37.295 -13.060 1.00 0.00 C ATOM 530 C ARG A 34 -17.953 37.031 -12.206 1.00 0.00 C ATOM 531 O ARG A 34 -19.020 37.577 -12.482 1.00 0.00 O ATOM 532 CB ARG A 34 -16.218 38.743 -12.916 1.00 0.00 C ATOM 533 CG ARG A 34 -15.870 39.073 -11.455 1.00 0.00 C ATOM 534 CD ARG A 34 -14.885 40.239 -11.341 1.00 0.00 C ATOM 535 NE ARG A 34 -15.423 41.505 -11.875 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.828 42.334 -12.717 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.699 42.066 -13.313 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.379 43.482 -12.989 1.00 0.00 N ATOM 0 H ARG A 34 -17.603 37.707 -14.897 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.944 36.617 -12.695 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.339 38.892 -13.544 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.985 39.430 -13.273 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.783 39.318 -10.913 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.442 38.191 -10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.616 40.378 -10.294 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.969 39.987 -11.875 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.356 41.770 -11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.229 41.178 -13.139 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.287 42.745 -13.953 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.265 43.738 -12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.925 44.125 -13.637 1.00 0.00 H new ATOM 552 N THR A 35 -17.808 36.205 -11.176 1.00 0.00 N ATOM 553 CA THR A 35 -18.891 35.796 -10.262 1.00 0.00 C ATOM 554 C THR A 35 -19.167 36.855 -9.197 1.00 0.00 C ATOM 555 O THR A 35 -18.471 37.867 -9.094 1.00 0.00 O ATOM 556 CB THR A 35 -18.597 34.467 -9.560 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.466 34.598 -8.753 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.383 33.318 -10.524 1.00 0.00 C ATOM 0 H THR A 35 -16.910 35.784 -10.939 1.00 0.00 H new ATOM 0 HA THR A 35 -19.770 35.674 -10.894 1.00 0.00 H new ATOM 0 HB THR A 35 -19.477 34.232 -8.962 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.679 34.752 -9.316 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.179 32.406 -9.963 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.279 33.179 -11.129 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.537 33.541 -11.174 1.00 0.00 H new ATOM 566 N ASP A 36 -20.158 36.596 -8.345 1.00 0.00 N ATOM 567 CA ASP A 36 -20.570 37.530 -7.302 1.00 0.00 C ATOM 568 C ASP A 36 -19.568 37.644 -6.136 1.00 0.00 C ATOM 569 O ASP A 36 -19.604 38.639 -5.407 1.00 0.00 O ATOM 570 CB ASP A 36 -21.981 37.152 -6.827 1.00 0.00 C ATOM 571 CG ASP A 36 -22.609 38.225 -5.920 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.879 39.349 -6.409 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.876 37.937 -4.727 1.00 0.00 O ATOM 0 H ASP A 36 -20.698 35.731 -8.360 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.587 38.530 -7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.622 36.995 -7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.937 36.206 -6.287 1.00 0.00 H new ATOM 578 N ASN A 37 -18.623 36.700 -5.991 1.00 0.00 N ATOM 579 CA ASN A 37 -17.519 36.851 -5.026 1.00 0.00 C ATOM 580 C ASN A 37 -16.278 37.545 -5.641 1.00 0.00 C ATOM 581 O ASN A 37 -15.243 37.665 -4.980 1.00 0.00 O ATOM 582 CB ASN A 37 -17.141 35.512 -4.380 1.00 0.00 C ATOM 583 CG ASN A 37 -18.273 34.559 -4.048 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.360 34.923 -3.620 1.00 0.00 O ATOM 585 ND2 ASN A 37 -18.014 33.284 -4.215 1.00 0.00 N ATOM 0 H ASN A 37 -18.600 35.831 -6.524 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.891 37.508 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.451 34.997 -5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.596 35.723 -3.460 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.722 32.586 -3.987 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.105 32.991 -4.572 1.00 0.00 H new ATOM 592 N GLY A 38 -16.346 37.948 -6.917 1.00 0.00 N ATOM 593 CA GLY A 38 -15.203 38.393 -7.724 1.00 0.00 C ATOM 594 C GLY A 38 -14.386 37.267 -8.352 1.00 0.00 C ATOM 595 O GLY A 38 -13.315 37.536 -8.897 1.00 0.00 O ATOM 0 H GLY A 38 -17.226 37.974 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.568 39.044 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.545 38.994 -7.096 1.00 0.00 H new ATOM 599 N GLU A 39 -14.843 36.014 -8.276 1.00 0.00 N ATOM 600 CA GLU A 39 -14.102 34.868 -8.825 1.00 0.00 C ATOM 601 C GLU A 39 -14.248 34.860 -10.353 1.00 0.00 C ATOM 602 O GLU A 39 -15.364 34.788 -10.866 1.00 0.00 O ATOM 603 CB GLU A 39 -14.573 33.530 -8.219 1.00 0.00 C ATOM 604 CG GLU A 39 -14.947 33.622 -6.734 1.00 0.00 C ATOM 605 CD GLU A 39 -14.737 32.351 -5.892 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.829 31.531 -6.172 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.481 32.206 -4.889 1.00 0.00 O ATOM 0 H GLU A 39 -15.729 35.763 -7.837 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.051 34.977 -8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.436 33.171 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.783 32.789 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.366 34.428 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.996 33.908 -6.664 1.00 0.00 H new ATOM 614 N GLU A 40 -13.141 34.952 -11.084 1.00 0.00 N ATOM 615 CA GLU A 40 -13.134 35.039 -12.553 1.00 0.00 C ATOM 616 C GLU A 40 -12.761 33.698 -13.207 1.00 0.00 C ATOM 617 O GLU A 40 -11.749 33.079 -12.863 1.00 0.00 O ATOM 618 CB GLU A 40 -12.169 36.138 -13.028 1.00 0.00 C ATOM 619 CG GLU A 40 -12.554 37.522 -12.493 1.00 0.00 C ATOM 620 CD GLU A 40 -11.668 38.647 -13.062 1.00 0.00 C ATOM 621 OE1 GLU A 40 -10.420 38.508 -13.076 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.218 39.702 -13.460 1.00 0.00 O ATOM 0 H GLU A 40 -12.207 34.969 -10.673 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.148 35.293 -12.862 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.157 35.894 -12.704 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.158 36.162 -14.118 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.596 37.726 -12.740 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.479 37.521 -11.406 1.00 0.00 H new ATOM 629 N PHE A 41 -13.575 33.269 -14.175 1.00 0.00 N ATOM 630 CA PHE A 41 -13.427 32.021 -14.932 1.00 0.00 C ATOM 631 C PHE A 41 -13.518 32.247 -16.447 1.00 0.00 C ATOM 632 O PHE A 41 -13.996 33.281 -16.915 1.00 0.00 O ATOM 633 CB PHE A 41 -14.493 31.019 -14.473 1.00 0.00 C ATOM 634 CG PHE A 41 -14.366 30.604 -13.019 1.00 0.00 C ATOM 635 CD1 PHE A 41 -13.577 29.489 -12.679 1.00 0.00 C ATOM 636 CD2 PHE A 41 -15.008 31.331 -11.999 1.00 0.00 C ATOM 637 CE1 PHE A 41 -13.406 29.112 -11.336 1.00 0.00 C ATOM 638 CE2 PHE A 41 -14.853 30.938 -10.666 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.047 29.840 -10.324 1.00 0.00 C ATOM 0 H PHE A 41 -14.392 33.805 -14.466 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.433 31.621 -14.732 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.479 31.456 -14.630 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.435 30.130 -15.100 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -13.097 28.917 -13.459 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -15.617 32.188 -12.245 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -12.784 28.266 -11.085 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -15.361 31.487 -9.887 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.922 29.559 -9.289 1.00 0.00 H new ATOM 649 N GLU A 42 -13.075 31.254 -17.220 1.00 0.00 N ATOM 650 CA GLU A 42 -13.066 31.266 -18.687 1.00 0.00 C ATOM 651 C GLU A 42 -14.095 30.283 -19.275 1.00 0.00 C ATOM 652 O GLU A 42 -14.200 29.135 -18.835 1.00 0.00 O ATOM 653 CB GLU A 42 -11.663 30.958 -19.244 1.00 0.00 C ATOM 654 CG GLU A 42 -10.501 31.668 -18.524 1.00 0.00 C ATOM 655 CD GLU A 42 -9.891 30.891 -17.332 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.393 29.804 -16.952 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.888 31.379 -16.757 1.00 0.00 O ATOM 0 H GLU A 42 -12.700 30.389 -16.830 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.347 32.274 -18.992 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.498 29.882 -19.193 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.639 31.235 -20.298 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.712 31.866 -19.250 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.854 32.635 -18.165 1.00 0.00 H new ATOM 664 N VAL A 43 -14.830 30.714 -20.300 1.00 0.00 N ATOM 665 CA VAL A 43 -15.826 29.907 -21.026 1.00 0.00 C ATOM 666 C VAL A 43 -15.551 29.934 -22.543 1.00 0.00 C ATOM 667 O VAL A 43 -15.761 30.964 -23.190 1.00 0.00 O ATOM 668 CB VAL A 43 -17.261 30.382 -20.724 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.287 29.420 -21.333 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.552 30.508 -19.221 1.00 0.00 C ATOM 0 H VAL A 43 -14.750 31.664 -20.664 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.736 28.878 -20.678 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.345 31.373 -21.171 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.294 29.772 -21.109 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.149 29.378 -22.413 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.148 28.425 -20.910 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.578 30.846 -19.076 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.419 29.538 -18.742 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.866 31.229 -18.777 1.00 0.00 H new ATOM 680 N PRO A 44 -15.104 28.812 -23.139 1.00 0.00 N ATOM 681 CA PRO A 44 -15.011 28.626 -24.584 1.00 0.00 C ATOM 682 C PRO A 44 -16.391 28.479 -25.244 1.00 0.00 C ATOM 683 O PRO A 44 -17.211 27.649 -24.842 1.00 0.00 O ATOM 684 CB PRO A 44 -14.162 27.367 -24.800 1.00 0.00 C ATOM 685 CG PRO A 44 -13.439 27.156 -23.472 1.00 0.00 C ATOM 686 CD PRO A 44 -14.431 27.721 -22.462 1.00 0.00 C ATOM 0 HA PRO A 44 -14.558 29.501 -25.049 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.784 26.508 -25.053 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.455 27.501 -25.619 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.228 26.103 -23.288 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.485 27.682 -23.441 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.143 26.959 -22.144 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.920 28.073 -21.566 1.00 0.00 H new ATOM 694 N PHE A 45 -16.612 29.256 -26.301 1.00 0.00 N ATOM 695 CA PHE A 45 -17.770 29.189 -27.206 1.00 0.00 C ATOM 696 C PHE A 45 -17.346 28.841 -28.636 1.00 0.00 C ATOM 697 O PHE A 45 -16.358 29.366 -29.143 1.00 0.00 O ATOM 698 CB PHE A 45 -18.513 30.529 -27.201 1.00 0.00 C ATOM 699 CG PHE A 45 -19.340 30.776 -25.955 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.735 31.326 -24.810 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.716 30.473 -25.939 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.501 31.583 -23.663 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.479 30.719 -24.781 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.868 31.271 -23.641 1.00 0.00 C ATOM 0 H PHE A 45 -15.957 29.990 -26.569 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.430 28.399 -26.847 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.787 31.335 -27.307 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.167 30.572 -28.072 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.679 31.551 -24.814 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.186 30.052 -26.815 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.036 32.023 -22.793 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.533 30.484 -24.769 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.450 31.454 -22.750 1.00 0.00 H new ATOM 714 N ALA A 46 -18.123 28.014 -29.328 1.00 0.00 N ATOM 715 CA ALA A 46 -17.894 27.655 -30.732 1.00 0.00 C ATOM 716 C ALA A 46 -18.453 28.728 -31.685 1.00 0.00 C ATOM 717 O ALA A 46 -19.326 29.506 -31.303 1.00 0.00 O ATOM 718 CB ALA A 46 -18.511 26.275 -30.990 1.00 0.00 C ATOM 0 H ALA A 46 -18.945 27.564 -28.926 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.823 27.607 -30.930 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.349 25.993 -32.030 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.042 25.539 -30.337 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.581 26.311 -30.786 1.00 0.00 H new ATOM 724 N ASP A 47 -17.997 28.754 -32.939 1.00 0.00 N ATOM 725 CA ASP A 47 -18.463 29.695 -33.978 1.00 0.00 C ATOM 726 C ASP A 47 -19.976 29.580 -34.286 1.00 0.00 C ATOM 727 O ASP A 47 -20.591 30.521 -34.791 1.00 0.00 O ATOM 728 CB ASP A 47 -17.619 29.470 -35.242 1.00 0.00 C ATOM 729 CG ASP A 47 -17.960 30.452 -36.376 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.636 31.658 -36.251 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.512 30.013 -37.414 1.00 0.00 O ATOM 0 H ASP A 47 -17.279 28.112 -33.274 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.330 30.709 -33.602 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.563 29.568 -34.989 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.769 28.450 -35.595 1.00 0.00 H new ATOM 736 N ASP A 48 -20.595 28.447 -33.937 1.00 0.00 N ATOM 737 CA ASP A 48 -22.050 28.224 -34.003 1.00 0.00 C ATOM 738 C ASP A 48 -22.845 28.998 -32.920 1.00 0.00 C ATOM 739 O ASP A 48 -24.071 29.108 -33.004 1.00 0.00 O ATOM 740 CB ASP A 48 -22.293 26.712 -33.893 1.00 0.00 C ATOM 741 CG ASP A 48 -23.748 26.313 -34.198 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.208 26.523 -35.348 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.424 25.742 -33.308 1.00 0.00 O ATOM 0 H ASP A 48 -20.086 27.634 -33.590 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.419 28.613 -34.952 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.627 26.192 -34.582 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.034 26.380 -32.888 1.00 0.00 H new ATOM 748 N ALA A 49 -22.153 29.548 -31.917 1.00 0.00 N ATOM 749 CA ALA A 49 -22.701 30.297 -30.782 1.00 0.00 C ATOM 750 C ALA A 49 -22.091 31.711 -30.652 1.00 0.00 C ATOM 751 O ALA A 49 -21.018 31.998 -31.186 1.00 0.00 O ATOM 752 CB ALA A 49 -22.472 29.470 -29.509 1.00 0.00 C ATOM 0 H ALA A 49 -21.136 29.478 -31.873 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.768 30.453 -30.944 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.872 30.007 -28.649 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.978 28.509 -29.604 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.404 29.306 -29.369 1.00 0.00 H new ATOM 758 N GLU A 50 -22.758 32.591 -29.900 1.00 0.00 N ATOM 759 CA GLU A 50 -22.279 33.938 -29.546 1.00 0.00 C ATOM 760 C GLU A 50 -22.463 34.222 -28.047 1.00 0.00 C ATOM 761 O GLU A 50 -23.463 33.826 -27.449 1.00 0.00 O ATOM 762 CB GLU A 50 -22.998 35.020 -30.372 1.00 0.00 C ATOM 763 CG GLU A 50 -22.500 35.067 -31.818 1.00 0.00 C ATOM 764 CD GLU A 50 -23.265 36.126 -32.634 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.837 37.306 -32.659 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.301 35.790 -33.260 1.00 0.00 O ATOM 0 H GLU A 50 -23.676 32.383 -29.506 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.214 33.969 -29.778 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.071 34.828 -30.365 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.846 35.993 -29.905 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.434 35.293 -31.831 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.624 34.088 -32.281 1.00 0.00 H new ATOM 773 N ILE A 51 -21.487 34.928 -27.467 1.00 0.00 N ATOM 774 CA ILE A 51 -21.316 35.237 -26.040 1.00 0.00 C ATOM 775 C ILE A 51 -22.529 35.995 -25.473 1.00 0.00 C ATOM 776 O ILE A 51 -22.745 37.165 -25.811 1.00 0.00 O ATOM 777 CB ILE A 51 -20.027 36.057 -25.778 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.813 35.599 -26.618 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.665 36.041 -24.280 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.385 34.143 -26.430 1.00 0.00 C ATOM 0 H ILE A 51 -20.735 35.331 -28.026 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.230 34.278 -25.528 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.257 37.075 -26.094 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.044 35.757 -27.672 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.966 36.241 -26.377 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.757 36.622 -24.119 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.482 36.476 -23.704 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.500 35.013 -23.957 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.526 33.931 -27.067 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.114 33.975 -25.388 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.209 33.483 -26.702 1.00 0.00 H new ATOM 792 N PRO A 52 -23.329 35.354 -24.609 1.00 0.00 N ATOM 793 CA PRO A 52 -24.362 36.020 -23.833 1.00 0.00 C ATOM 794 C PRO A 52 -23.734 36.888 -22.729 1.00 0.00 C ATOM 795 O PRO A 52 -22.669 36.566 -22.195 1.00 0.00 O ATOM 796 CB PRO A 52 -25.223 34.887 -23.278 1.00 0.00 C ATOM 797 CG PRO A 52 -24.246 33.722 -23.137 1.00 0.00 C ATOM 798 CD PRO A 52 -23.212 33.958 -24.232 1.00 0.00 C ATOM 0 HA PRO A 52 -24.964 36.709 -24.426 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.667 35.155 -22.319 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.044 34.641 -23.952 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.783 33.709 -22.150 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.749 32.764 -23.266 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.207 33.735 -23.873 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.396 33.308 -25.087 1.00 0.00 H new ATOM 806 N GLY A 53 -24.411 37.985 -22.371 1.00 0.00 N ATOM 807 CA GLY A 53 -23.979 38.962 -21.357 1.00 0.00 C ATOM 808 C GLY A 53 -23.551 38.366 -20.008 1.00 0.00 C ATOM 809 O GLY A 53 -22.675 38.919 -19.338 1.00 0.00 O ATOM 0 H GLY A 53 -25.307 38.228 -22.793 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.146 39.536 -21.762 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.795 39.664 -21.183 1.00 0.00 H new ATOM 813 N THR A 54 -24.125 37.226 -19.612 1.00 0.00 N ATOM 814 CA THR A 54 -23.687 36.451 -18.445 1.00 0.00 C ATOM 815 C THR A 54 -23.722 34.934 -18.713 1.00 0.00 C ATOM 816 O THR A 54 -24.409 34.470 -19.629 1.00 0.00 O ATOM 817 CB THR A 54 -24.588 36.727 -17.219 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.931 36.375 -17.483 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.660 38.199 -16.818 1.00 0.00 C ATOM 0 H THR A 54 -24.918 36.809 -20.099 1.00 0.00 H new ATOM 0 HA THR A 54 -22.663 36.766 -18.245 1.00 0.00 H new ATOM 0 HB THR A 54 -24.130 36.135 -16.427 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.391 36.183 -16.639 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.311 38.308 -15.951 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.661 38.558 -16.569 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.059 38.783 -17.647 1.00 0.00 H new ATOM 827 N TRP A 55 -22.982 34.147 -17.920 1.00 0.00 N ATOM 828 CA TRP A 55 -22.876 32.683 -18.033 1.00 0.00 C ATOM 829 C TRP A 55 -22.457 32.027 -16.703 1.00 0.00 C ATOM 830 O TRP A 55 -21.706 32.612 -15.921 1.00 0.00 O ATOM 831 CB TRP A 55 -21.862 32.338 -19.130 1.00 0.00 C ATOM 832 CG TRP A 55 -21.835 30.902 -19.542 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.026 29.957 -19.023 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.628 30.219 -20.560 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.223 28.758 -19.670 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.215 28.854 -20.623 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.645 30.624 -21.448 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.780 27.939 -21.524 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.227 29.715 -22.352 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.797 28.375 -22.392 1.00 0.00 C ATOM 0 H TRP A 55 -22.421 34.523 -17.156 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.860 32.290 -18.289 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.079 32.947 -20.007 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.867 32.619 -18.785 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.325 30.117 -18.217 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.701 27.905 -19.470 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.984 31.649 -21.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.439 26.915 -21.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.008 30.048 -23.019 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.247 27.683 -23.088 1.00 0.00 H new ATOM 851 N LEU A 56 -22.916 30.802 -16.427 1.00 0.00 N ATOM 852 CA LEU A 56 -22.601 30.075 -15.190 1.00 0.00 C ATOM 853 C LEU A 56 -21.120 29.653 -15.140 1.00 0.00 C ATOM 854 O LEU A 56 -20.621 28.964 -16.032 1.00 0.00 O ATOM 855 CB LEU A 56 -23.551 28.871 -15.042 1.00 0.00 C ATOM 856 CG LEU A 56 -24.185 28.739 -13.647 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.261 27.654 -13.665 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.159 28.358 -12.582 1.00 0.00 C ATOM 0 H LEU A 56 -23.522 30.281 -17.061 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.756 30.741 -14.341 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.345 28.955 -15.784 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.000 27.958 -15.267 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.608 29.713 -13.400 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.706 27.566 -12.674 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.033 27.919 -14.387 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.813 26.701 -13.947 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.653 28.276 -11.614 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.705 27.401 -12.840 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.386 29.124 -12.531 1.00 0.00 H new ATOM 870 N CYS A 57 -20.423 30.056 -14.080 1.00 0.00 N ATOM 871 CA CYS A 57 -18.998 29.792 -13.870 1.00 0.00 C ATOM 872 C CYS A 57 -18.742 28.548 -13.010 1.00 0.00 C ATOM 873 O CYS A 57 -19.628 28.061 -12.302 1.00 0.00 O ATOM 874 CB CYS A 57 -18.359 31.038 -13.253 1.00 0.00 C ATOM 875 SG CYS A 57 -18.289 32.338 -14.503 1.00 0.00 S ATOM 0 H CYS A 57 -20.844 30.591 -13.321 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.541 29.576 -14.836 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.939 31.373 -12.393 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.357 30.808 -12.892 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.750 33.404 -13.991 1.00 0.00 H new ATOM 881 N ARG A 58 -17.492 28.063 -13.018 1.00 0.00 N ATOM 882 CA ARG A 58 -17.084 26.809 -12.348 1.00 0.00 C ATOM 883 C ARG A 58 -17.220 26.850 -10.818 1.00 0.00 C ATOM 884 O ARG A 58 -17.299 25.800 -10.182 1.00 0.00 O ATOM 885 CB ARG A 58 -15.643 26.417 -12.737 1.00 0.00 C ATOM 886 CG ARG A 58 -15.313 26.536 -14.235 1.00 0.00 C ATOM 887 CD ARG A 58 -13.869 26.107 -14.529 1.00 0.00 C ATOM 888 NE ARG A 58 -13.448 26.588 -15.861 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.400 27.338 -16.153 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.459 27.649 -15.313 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.263 27.857 -17.329 1.00 0.00 N ATOM 0 H ARG A 58 -16.722 28.533 -13.495 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.781 26.050 -12.704 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.949 27.045 -12.178 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.466 25.388 -12.423 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.002 25.917 -14.811 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.461 27.566 -14.561 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.202 26.505 -13.764 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.790 25.021 -14.486 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.035 26.308 -16.647 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.499 27.308 -14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.680 28.234 -15.614 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.969 27.690 -18.046 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.449 28.434 -17.540 1.00 0.00 H new ATOM 905 N ASN A 59 -17.301 28.052 -10.233 1.00 0.00 N ATOM 906 CA ASN A 59 -17.592 28.267 -8.809 1.00 0.00 C ATOM 907 C ASN A 59 -19.037 27.856 -8.412 1.00 0.00 C ATOM 908 O ASN A 59 -19.344 27.665 -7.235 1.00 0.00 O ATOM 909 CB ASN A 59 -17.335 29.756 -8.524 1.00 0.00 C ATOM 910 CG ASN A 59 -17.572 30.227 -7.096 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.397 29.514 -6.119 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.928 31.483 -6.938 1.00 0.00 N ATOM 0 H ASN A 59 -17.163 28.922 -10.748 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.946 27.630 -8.205 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.302 29.980 -8.790 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.970 30.344 -9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -18.058 31.862 -6.000 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.074 32.078 -7.753 1.00 0.00 H new ATOM 919 N GLY A 60 -19.931 27.705 -9.394 1.00 0.00 N ATOM 920 CA GLY A 60 -21.363 27.436 -9.201 1.00 0.00 C ATOM 921 C GLY A 60 -22.221 28.706 -9.098 1.00 0.00 C ATOM 922 O GLY A 60 -23.373 28.634 -8.666 1.00 0.00 O ATOM 0 H GLY A 60 -19.671 27.768 -10.378 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.725 26.830 -10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.494 26.845 -8.294 1.00 0.00 H new ATOM 926 N MET A 61 -21.668 29.864 -9.485 1.00 0.00 N ATOM 927 CA MET A 61 -22.329 31.172 -9.500 1.00 0.00 C ATOM 928 C MET A 61 -22.435 31.718 -10.931 1.00 0.00 C ATOM 929 O MET A 61 -21.558 31.476 -11.763 1.00 0.00 O ATOM 930 CB MET A 61 -21.550 32.119 -8.569 1.00 0.00 C ATOM 931 CG MET A 61 -22.257 33.453 -8.296 1.00 0.00 C ATOM 932 SD MET A 61 -23.953 33.355 -7.650 1.00 0.00 S ATOM 933 CE MET A 61 -23.628 32.722 -5.980 1.00 0.00 C ATOM 0 H MET A 61 -20.703 29.914 -9.811 1.00 0.00 H new ATOM 0 HA MET A 61 -23.352 31.082 -9.135 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.373 31.613 -7.620 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.574 32.321 -9.009 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.654 34.020 -7.587 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.278 34.024 -9.224 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.571 32.604 -5.446 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.126 31.757 -6.048 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.992 33.425 -5.442 1.00 0.00 H new ATOM 943 N GLU A 62 -23.490 32.479 -11.226 1.00 0.00 N ATOM 944 CA GLU A 62 -23.638 33.171 -12.512 1.00 0.00 C ATOM 945 C GLU A 62 -22.596 34.294 -12.635 1.00 0.00 C ATOM 946 O GLU A 62 -22.644 35.297 -11.919 1.00 0.00 O ATOM 947 CB GLU A 62 -25.078 33.672 -12.705 1.00 0.00 C ATOM 948 CG GLU A 62 -25.300 34.156 -14.147 1.00 0.00 C ATOM 949 CD GLU A 62 -26.747 34.633 -14.379 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.690 33.810 -14.275 1.00 0.00 O ATOM 951 OE2 GLU A 62 -26.951 35.832 -14.690 1.00 0.00 O ATOM 0 H GLU A 62 -24.266 32.634 -10.583 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.447 32.465 -13.321 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.780 32.871 -12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.281 34.485 -12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.610 34.971 -14.366 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.069 33.347 -14.841 1.00 0.00 H new ATOM 958 N GLY A 63 -21.623 34.096 -13.525 1.00 0.00 N ATOM 959 CA GLY A 63 -20.605 35.082 -13.861 1.00 0.00 C ATOM 960 C GLY A 63 -21.097 36.101 -14.893 1.00 0.00 C ATOM 961 O GLY A 63 -21.879 35.760 -15.780 1.00 0.00 O ATOM 0 H GLY A 63 -21.522 33.223 -14.043 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.297 35.605 -12.956 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.723 34.572 -14.250 1.00 0.00 H new ATOM 965 N THR A 64 -20.596 37.336 -14.836 1.00 0.00 N ATOM 966 CA THR A 64 -20.871 38.385 -15.836 1.00 0.00 C ATOM 967 C THR A 64 -19.662 38.643 -16.728 1.00 0.00 C ATOM 968 O THR A 64 -18.533 38.664 -16.242 1.00 0.00 O ATOM 969 CB THR A 64 -21.316 39.695 -15.168 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.448 39.471 -14.352 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.699 40.786 -16.173 1.00 0.00 C ATOM 0 H THR A 64 -19.978 37.646 -14.086 1.00 0.00 H new ATOM 0 HA THR A 64 -21.686 38.018 -16.459 1.00 0.00 H new ATOM 0 HB THR A 64 -20.457 40.033 -14.588 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.720 40.313 -13.931 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.004 41.684 -15.636 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.842 41.015 -16.806 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.525 40.436 -16.793 1.00 0.00 H new ATOM 979 N LEU A 65 -19.898 38.815 -18.030 1.00 0.00 N ATOM 980 CA LEU A 65 -18.885 38.914 -19.088 1.00 0.00 C ATOM 981 C LEU A 65 -17.929 40.107 -18.859 1.00 0.00 C ATOM 982 O LEU A 65 -18.373 41.256 -18.806 1.00 0.00 O ATOM 983 CB LEU A 65 -19.670 38.988 -20.415 1.00 0.00 C ATOM 984 CG LEU A 65 -18.920 38.832 -21.754 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.892 39.198 -22.880 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.670 39.690 -21.938 1.00 0.00 C ATOM 0 H LEU A 65 -20.847 38.893 -18.395 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.219 38.051 -19.098 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.441 38.218 -20.381 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.182 39.950 -20.438 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.574 37.799 -21.768 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.389 39.097 -23.842 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.753 38.530 -22.849 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.226 40.227 -22.752 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.233 39.491 -22.916 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.939 40.744 -21.868 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.945 39.448 -21.161 1.00 0.00 H new