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 37 ASN : amide:sc= 0.959 K(o=0.88,f=-0.0048) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0807 X(o=0.88,f=1) USER MOD Single : A 29 GLN : amide:sc= 0.748 K(o=0.75,f=0.059) USER MOD Single : A 33 TYR OH : rot -165:sc= 0.454 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.355 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.38 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 -14.248 31.174 -29.343 1.00 0.00 N ATOM 438 CA GLN A 29 -14.270 32.485 -28.690 1.00 0.00 C ATOM 439 C GLN A 29 -14.236 32.290 -27.169 1.00 0.00 C ATOM 440 O GLN A 29 -15.242 31.964 -26.538 1.00 0.00 O ATOM 441 CB GLN A 29 -15.548 33.265 -29.059 1.00 0.00 C ATOM 442 CG GLN A 29 -15.843 33.420 -30.563 1.00 0.00 C ATOM 443 CD GLN A 29 -17.221 32.871 -30.910 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.078 33.532 -31.479 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.477 31.631 -30.569 1.00 0.00 N ATOM 0 HA GLN A 29 -13.402 33.051 -29.026 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.399 32.768 -28.593 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.480 34.260 -28.619 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.786 34.472 -30.841 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.083 32.896 -31.142 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.765 31.075 -30.094 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.388 31.222 -30.779 1.00 0.00 H new ATOM 454 N ILE A 30 -13.072 32.487 -26.568 1.00 0.00 N ATOM 455 CA ILE A 30 -12.901 32.495 -25.119 1.00 0.00 C ATOM 456 C ILE A 30 -13.361 33.859 -24.596 1.00 0.00 C ATOM 457 O ILE A 30 -12.686 34.874 -24.780 1.00 0.00 O ATOM 458 CB ILE A 30 -11.446 32.163 -24.735 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.016 30.721 -25.092 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.265 32.307 -23.210 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.172 30.227 -26.537 1.00 0.00 C ATOM 0 H ILE A 30 -12.205 32.649 -27.080 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.510 31.720 -24.653 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.832 32.861 -25.304 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.965 30.616 -24.821 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.580 30.043 -24.451 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.235 32.071 -22.942 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.493 33.330 -22.912 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.939 31.621 -22.697 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.823 29.197 -26.609 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.222 30.275 -26.827 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.582 30.857 -27.203 1.00 0.00 H new ATOM 473 N ALA A 31 -14.506 33.861 -23.921 1.00 0.00 N ATOM 474 CA ALA A 31 -14.955 34.955 -23.068 1.00 0.00 C ATOM 475 C ALA A 31 -14.608 34.663 -21.601 1.00 0.00 C ATOM 476 O ALA A 31 -14.504 33.505 -21.190 1.00 0.00 O ATOM 477 CB ALA A 31 -16.457 35.166 -23.277 1.00 0.00 C ATOM 0 H ALA A 31 -15.164 33.082 -23.953 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.441 35.878 -23.337 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.801 35.983 -22.643 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.648 35.412 -24.321 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.992 34.253 -23.016 1.00 0.00 H new ATOM 483 N ARG A 32 -14.458 35.713 -20.791 1.00 0.00 N ATOM 484 CA ARG A 32 -14.354 35.611 -19.328 1.00 0.00 C ATOM 485 C ARG A 32 -15.662 36.040 -18.672 1.00 0.00 C ATOM 486 O ARG A 32 -16.384 36.877 -19.219 1.00 0.00 O ATOM 487 CB ARG A 32 -13.154 36.429 -18.811 1.00 0.00 C ATOM 488 CG ARG A 32 -11.976 35.514 -18.475 1.00 0.00 C ATOM 489 CD ARG A 32 -10.748 36.307 -18.027 1.00 0.00 C ATOM 490 NE ARG A 32 -9.702 35.407 -17.506 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.109 35.431 -16.326 1.00 0.00 C ATOM 492 NH1 ARG A 32 -9.367 36.308 -15.395 1.00 0.00 N ATOM 493 NH2 ARG A 32 -8.214 34.527 -16.061 1.00 0.00 N ATOM 0 H ARG A 32 -14.404 36.672 -21.134 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.177 34.570 -19.057 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.852 37.156 -19.565 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.447 36.992 -17.925 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.268 34.821 -17.686 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.722 34.914 -19.349 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.355 36.881 -18.866 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.034 37.023 -17.257 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.396 34.669 -18.140 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.065 37.034 -15.557 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.870 36.268 -14.505 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.983 33.819 -16.758 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.743 34.526 -15.156 1.00 0.00 H new ATOM 507 N TYR A 33 -15.934 35.516 -17.478 1.00 0.00 N ATOM 508 CA TYR A 33 -17.053 35.924 -16.627 1.00 0.00 C ATOM 509 C TYR A 33 -16.631 35.993 -15.153 1.00 0.00 C ATOM 510 O TYR A 33 -15.913 35.118 -14.667 1.00 0.00 O ATOM 511 CB TYR A 33 -18.244 34.981 -16.804 1.00 0.00 C ATOM 512 CG TYR A 33 -18.839 34.924 -18.192 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.248 34.125 -19.190 1.00 0.00 C ATOM 514 CD2 TYR A 33 -20.005 35.653 -18.475 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.845 34.038 -20.460 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.600 35.574 -19.744 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.041 34.736 -20.725 1.00 0.00 C ATOM 518 OH TYR A 33 -20.696 34.570 -21.898 1.00 0.00 O ATOM 0 H TYR A 33 -15.367 34.776 -17.064 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.359 36.923 -16.936 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.932 33.976 -16.522 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -19.026 35.280 -16.106 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.339 33.581 -18.980 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.446 36.278 -17.713 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.388 33.437 -21.232 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.483 36.154 -19.966 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.353 35.289 -22.010 1.00 0.00 H new ATOM 528 N ARG A 34 -17.083 37.035 -14.444 1.00 0.00 N ATOM 529 CA ARG A 34 -16.786 37.313 -13.030 1.00 0.00 C ATOM 530 C ARG A 34 -17.989 36.964 -12.157 1.00 0.00 C ATOM 531 O ARG A 34 -19.081 37.480 -12.389 1.00 0.00 O ATOM 532 CB ARG A 34 -16.390 38.791 -12.861 1.00 0.00 C ATOM 533 CG ARG A 34 -15.985 39.112 -11.413 1.00 0.00 C ATOM 534 CD ARG A 34 -15.677 40.598 -11.202 1.00 0.00 C ATOM 535 NE ARG A 34 -16.821 41.488 -11.501 1.00 0.00 N ATOM 536 CZ ARG A 34 -17.952 41.631 -10.828 1.00 0.00 C ATOM 537 NH1 ARG A 34 -18.281 40.883 -9.812 1.00 0.00 N ATOM 538 NH2 ARG A 34 -18.801 42.554 -11.178 1.00 0.00 N ATOM 0 H ARG A 34 -17.693 37.740 -14.857 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.949 36.693 -12.711 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.562 39.024 -13.530 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.225 39.427 -13.154 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.789 38.812 -10.740 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.109 38.522 -11.146 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.367 40.753 -10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.834 40.879 -11.833 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.726 42.067 -12.335 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.653 40.143 -9.499 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.166 41.038 -9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -18.594 43.164 -11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.673 42.667 -10.662 1.00 0.00 H new ATOM 552 N THR A 35 -17.779 36.130 -11.145 1.00 0.00 N ATOM 553 CA THR A 35 -18.807 35.708 -10.178 1.00 0.00 C ATOM 554 C THR A 35 -19.045 36.770 -9.104 1.00 0.00 C ATOM 555 O THR A 35 -18.358 37.795 -9.034 1.00 0.00 O ATOM 556 CB THR A 35 -18.450 34.391 -9.483 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.296 34.559 -8.716 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.245 33.234 -10.441 1.00 0.00 C ATOM 0 H THR A 35 -16.866 35.713 -10.962 1.00 0.00 H new ATOM 0 HA THR A 35 -19.715 35.566 -10.764 1.00 0.00 H new ATOM 0 HB THR A 35 -19.304 34.137 -8.855 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.535 34.741 -9.306 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.995 32.335 -9.878 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.160 33.064 -11.008 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.432 33.470 -11.127 1.00 0.00 H new ATOM 566 N ASP A 36 -19.989 36.504 -8.201 1.00 0.00 N ATOM 567 CA ASP A 36 -20.349 37.439 -7.139 1.00 0.00 C ATOM 568 C ASP A 36 -19.290 37.559 -6.026 1.00 0.00 C ATOM 569 O ASP A 36 -19.289 38.559 -5.306 1.00 0.00 O ATOM 570 CB ASP A 36 -21.733 37.058 -6.592 1.00 0.00 C ATOM 571 CG ASP A 36 -22.314 38.133 -5.654 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.601 39.259 -6.130 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.526 37.846 -4.451 1.00 0.00 O ATOM 0 H ASP A 36 -20.524 35.636 -8.186 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.390 38.439 -7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.418 36.899 -7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.660 36.113 -6.054 1.00 0.00 H new ATOM 578 N ASN A 37 -18.339 36.613 -5.920 1.00 0.00 N ATOM 579 CA ASN A 37 -17.199 36.769 -4.998 1.00 0.00 C ATOM 580 C ASN A 37 -15.984 37.469 -5.656 1.00 0.00 C ATOM 581 O ASN A 37 -14.927 37.593 -5.032 1.00 0.00 O ATOM 582 CB ASN A 37 -16.796 35.433 -4.362 1.00 0.00 C ATOM 583 CG ASN A 37 -17.921 34.493 -3.971 1.00 0.00 C ATOM 584 OD1 ASN A 37 -18.976 34.872 -3.479 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.695 33.215 -4.161 1.00 0.00 N ATOM 0 H ASN A 37 -18.336 35.744 -6.454 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.543 37.428 -4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.142 34.909 -5.059 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.206 35.646 -3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.401 32.528 -3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.813 32.909 -4.572 1.00 0.00 H new ATOM 592 N GLY A 38 -16.100 37.878 -6.928 1.00 0.00 N ATOM 593 CA GLY A 38 -14.985 38.332 -7.771 1.00 0.00 C ATOM 594 C GLY A 38 -14.192 37.208 -8.438 1.00 0.00 C ATOM 595 O GLY A 38 -13.165 37.478 -9.060 1.00 0.00 O ATOM 0 H GLY A 38 -16.998 37.903 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.377 38.991 -8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.305 38.926 -7.161 1.00 0.00 H new ATOM 599 N GLU A 39 -14.633 35.955 -8.312 1.00 0.00 N ATOM 600 CA GLU A 39 -13.939 34.806 -8.910 1.00 0.00 C ATOM 601 C GLU A 39 -14.171 34.830 -10.424 1.00 0.00 C ATOM 602 O GLU A 39 -15.316 34.770 -10.869 1.00 0.00 O ATOM 603 CB GLU A 39 -14.395 33.459 -8.305 1.00 0.00 C ATOM 604 CG GLU A 39 -14.717 33.533 -6.807 1.00 0.00 C ATOM 605 CD GLU A 39 -14.484 32.249 -5.991 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.540 31.470 -6.269 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.244 32.054 -5.009 1.00 0.00 O ATOM 0 H GLU A 39 -15.477 35.706 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.875 34.892 -8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.278 33.111 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.613 32.716 -8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.117 34.330 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.762 33.823 -6.696 1.00 0.00 H new ATOM 614 N GLU A 40 -13.114 34.919 -11.224 1.00 0.00 N ATOM 615 CA GLU A 40 -13.226 34.963 -12.689 1.00 0.00 C ATOM 616 C GLU A 40 -12.885 33.609 -13.322 1.00 0.00 C ATOM 617 O GLU A 40 -11.857 32.995 -13.018 1.00 0.00 O ATOM 618 CB GLU A 40 -12.298 36.028 -13.289 1.00 0.00 C ATOM 619 CG GLU A 40 -12.869 37.443 -13.175 1.00 0.00 C ATOM 620 CD GLU A 40 -11.925 38.484 -13.816 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.353 38.210 -14.902 1.00 0.00 O ATOM 622 OE2 GLU A 40 -11.743 39.579 -13.231 1.00 0.00 O ATOM 0 H GLU A 40 -12.154 34.963 -10.882 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.263 35.215 -12.910 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.333 35.989 -12.784 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.118 35.797 -14.339 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.843 37.484 -13.662 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.027 37.690 -12.125 1.00 0.00 H new ATOM 629 N PHE A 41 -13.749 33.176 -14.240 1.00 0.00 N ATOM 630 CA PHE A 41 -13.616 31.945 -15.024 1.00 0.00 C ATOM 631 C PHE A 41 -13.700 32.231 -16.525 1.00 0.00 C ATOM 632 O PHE A 41 -14.224 33.259 -16.954 1.00 0.00 O ATOM 633 CB PHE A 41 -14.690 30.934 -14.604 1.00 0.00 C ATOM 634 CG PHE A 41 -14.544 30.437 -13.177 1.00 0.00 C ATOM 635 CD1 PHE A 41 -15.024 31.195 -12.089 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.881 29.219 -12.934 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.799 30.747 -10.781 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.655 28.776 -11.621 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.104 29.550 -10.540 1.00 0.00 C ATOM 0 H PHE A 41 -14.597 33.694 -14.468 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.633 31.518 -14.824 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.672 31.393 -14.720 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.656 30.080 -15.281 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.562 32.115 -12.263 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.543 28.619 -13.766 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.164 31.329 -9.948 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.138 27.844 -11.444 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.916 29.227 -9.527 1.00 0.00 H new ATOM 649 N GLU A 42 -13.193 31.299 -17.330 1.00 0.00 N ATOM 650 CA GLU A 42 -13.098 31.425 -18.788 1.00 0.00 C ATOM 651 C GLU A 42 -13.986 30.383 -19.473 1.00 0.00 C ATOM 652 O GLU A 42 -13.894 29.184 -19.183 1.00 0.00 O ATOM 653 CB GLU A 42 -11.641 31.293 -19.264 1.00 0.00 C ATOM 654 CG GLU A 42 -10.672 32.313 -18.634 1.00 0.00 C ATOM 655 CD GLU A 42 -9.374 31.738 -18.030 1.00 0.00 C ATOM 656 OE1 GLU A 42 -9.335 30.576 -17.559 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.382 32.507 -17.966 1.00 0.00 O ATOM 0 H GLU A 42 -12.827 30.413 -16.981 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.450 32.419 -19.065 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.287 30.287 -19.039 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.614 31.405 -20.348 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.401 33.043 -19.396 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.204 32.852 -17.851 1.00 0.00 H new ATOM 664 N VAL A 43 -14.845 30.833 -20.383 1.00 0.00 N ATOM 665 CA VAL A 43 -15.811 29.997 -21.107 1.00 0.00 C ATOM 666 C VAL A 43 -15.496 30.037 -22.610 1.00 0.00 C ATOM 667 O VAL A 43 -15.702 31.074 -23.247 1.00 0.00 O ATOM 668 CB VAL A 43 -17.260 30.438 -20.824 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.256 29.459 -21.459 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.560 30.527 -19.321 1.00 0.00 C ATOM 0 H VAL A 43 -14.894 31.817 -20.648 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.721 28.969 -20.755 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.370 31.431 -21.261 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.274 29.787 -21.248 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.100 29.430 -22.537 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.103 28.463 -21.043 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.593 30.842 -19.174 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.409 29.550 -18.861 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.891 31.253 -18.859 1.00 0.00 H new ATOM 680 N PRO A 44 -14.993 28.936 -23.200 1.00 0.00 N ATOM 681 CA PRO A 44 -14.807 28.833 -24.643 1.00 0.00 C ATOM 682 C PRO A 44 -16.141 28.529 -25.349 1.00 0.00 C ATOM 683 O PRO A 44 -16.745 27.471 -25.150 1.00 0.00 O ATOM 684 CB PRO A 44 -13.771 27.718 -24.833 1.00 0.00 C ATOM 685 CG PRO A 44 -13.959 26.818 -23.612 1.00 0.00 C ATOM 686 CD PRO A 44 -14.460 27.762 -22.519 1.00 0.00 C ATOM 0 HA PRO A 44 -14.459 29.766 -25.087 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.940 27.171 -25.761 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.759 28.119 -24.880 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.678 26.023 -23.811 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.024 26.338 -23.324 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.229 27.282 -21.914 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.650 28.039 -21.844 1.00 0.00 H new ATOM 694 N PHE A 45 -16.576 29.438 -26.220 1.00 0.00 N ATOM 695 CA PHE A 45 -17.730 29.287 -27.116 1.00 0.00 C ATOM 696 C PHE A 45 -17.276 28.866 -28.512 1.00 0.00 C ATOM 697 O PHE A 45 -16.280 29.377 -29.012 1.00 0.00 O ATOM 698 CB PHE A 45 -18.496 30.613 -27.195 1.00 0.00 C ATOM 699 CG PHE A 45 -19.333 30.901 -25.967 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.735 31.462 -24.824 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.710 30.609 -25.967 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.512 31.725 -23.688 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.485 30.869 -24.821 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.880 31.416 -23.674 1.00 0.00 C ATOM 0 H PHE A 45 -16.116 30.342 -26.328 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.384 28.511 -26.717 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.785 31.426 -27.339 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.144 30.597 -28.071 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.679 31.690 -24.822 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.172 30.185 -26.846 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.054 32.169 -22.817 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.542 30.649 -24.822 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.467 31.597 -22.786 1.00 0.00 H new ATOM 714 N ALA A 46 -18.033 28.017 -29.196 1.00 0.00 N ATOM 715 CA ALA A 46 -17.762 27.648 -30.586 1.00 0.00 C ATOM 716 C ALA A 46 -18.272 28.748 -31.528 1.00 0.00 C ATOM 717 O ALA A 46 -19.203 29.476 -31.180 1.00 0.00 O ATOM 718 CB ALA A 46 -18.409 26.290 -30.877 1.00 0.00 C ATOM 0 H ALA A 46 -18.857 27.561 -28.803 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.689 27.554 -30.753 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.212 26.007 -31.911 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.991 25.537 -30.209 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.485 26.358 -30.718 1.00 0.00 H new ATOM 724 N ASP A 47 -17.704 28.877 -32.726 1.00 0.00 N ATOM 725 CA ASP A 47 -18.084 29.916 -33.702 1.00 0.00 C ATOM 726 C ASP A 47 -19.561 29.845 -34.153 1.00 0.00 C ATOM 727 O ASP A 47 -20.121 30.833 -34.632 1.00 0.00 O ATOM 728 CB ASP A 47 -17.115 29.887 -34.888 1.00 0.00 C ATOM 729 CG ASP A 47 -17.302 31.102 -35.809 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.248 32.246 -35.297 1.00 0.00 O ATOM 731 OD2 ASP A 47 -17.489 30.922 -37.035 1.00 0.00 O ATOM 0 H ASP A 47 -16.960 28.262 -33.056 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.002 30.878 -33.196 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.090 29.865 -34.519 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.267 28.971 -35.459 1.00 0.00 H new ATOM 736 N ASP A 48 -20.213 28.691 -33.974 1.00 0.00 N ATOM 737 CA ASP A 48 -21.655 28.509 -34.208 1.00 0.00 C ATOM 738 C ASP A 48 -22.533 29.202 -33.135 1.00 0.00 C ATOM 739 O ASP A 48 -23.730 29.416 -33.343 1.00 0.00 O ATOM 740 CB ASP A 48 -21.931 27.000 -34.258 1.00 0.00 C ATOM 741 CG ASP A 48 -23.383 26.667 -34.644 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.799 26.998 -35.781 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.097 26.031 -33.832 1.00 0.00 O ATOM 0 H ASP A 48 -19.748 27.841 -33.657 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.924 28.984 -35.151 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.255 26.536 -34.976 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.711 26.563 -33.284 1.00 0.00 H new ATOM 748 N ALA A 49 -21.930 29.588 -32.006 1.00 0.00 N ATOM 749 CA ALA A 49 -22.535 30.324 -30.896 1.00 0.00 C ATOM 750 C ALA A 49 -21.989 31.767 -30.786 1.00 0.00 C ATOM 751 O ALA A 49 -21.021 32.150 -31.450 1.00 0.00 O ATOM 752 CB ALA A 49 -22.307 29.513 -29.611 1.00 0.00 C ATOM 0 H ALA A 49 -20.946 29.381 -31.834 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.605 30.439 -31.070 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.749 30.040 -28.765 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.773 28.533 -29.712 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.237 29.390 -29.443 1.00 0.00 H new ATOM 758 N GLU A 50 -22.612 32.571 -29.921 1.00 0.00 N ATOM 759 CA GLU A 50 -22.189 33.929 -29.554 1.00 0.00 C ATOM 760 C GLU A 50 -22.357 34.180 -28.044 1.00 0.00 C ATOM 761 O GLU A 50 -23.261 33.625 -27.419 1.00 0.00 O ATOM 762 CB GLU A 50 -22.955 34.963 -30.397 1.00 0.00 C ATOM 763 CG GLU A 50 -24.443 35.092 -30.034 1.00 0.00 C ATOM 764 CD GLU A 50 -25.196 35.930 -31.081 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.711 35.359 -32.071 1.00 0.00 O ATOM 766 OE2 GLU A 50 -25.284 37.172 -30.942 1.00 0.00 O ATOM 0 H GLU A 50 -23.462 32.283 -29.435 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.126 34.035 -29.771 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.478 35.936 -30.280 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.871 34.691 -31.449 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.891 34.101 -29.966 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.543 35.555 -29.052 1.00 0.00 H new ATOM 773 N ILE A 51 -21.487 35.018 -27.472 1.00 0.00 N ATOM 774 CA ILE A 51 -21.335 35.341 -26.048 1.00 0.00 C ATOM 775 C ILE A 51 -22.564 36.089 -25.501 1.00 0.00 C ATOM 776 O ILE A 51 -22.788 37.254 -25.855 1.00 0.00 O ATOM 777 CB ILE A 51 -20.059 36.182 -25.792 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.830 35.721 -26.611 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.722 36.214 -24.290 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.367 34.281 -26.379 1.00 0.00 C ATOM 0 H ILE A 51 -20.814 35.532 -28.040 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.243 34.392 -25.520 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.292 37.189 -26.137 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.059 35.841 -27.670 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.998 36.389 -26.387 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.823 36.809 -24.131 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.552 36.657 -23.740 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.552 35.198 -23.934 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.500 34.072 -27.006 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.097 34.150 -25.331 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.174 33.594 -26.634 1.00 0.00 H new ATOM 792 N PRO A 52 -23.367 35.450 -24.640 1.00 0.00 N ATOM 793 CA PRO A 52 -24.400 36.117 -23.863 1.00 0.00 C ATOM 794 C PRO A 52 -23.779 36.985 -22.754 1.00 0.00 C ATOM 795 O PRO A 52 -22.717 36.667 -22.215 1.00 0.00 O ATOM 796 CB PRO A 52 -25.255 34.981 -23.303 1.00 0.00 C ATOM 797 CG PRO A 52 -24.270 33.825 -23.152 1.00 0.00 C ATOM 798 CD PRO A 52 -23.238 34.061 -24.247 1.00 0.00 C ATOM 0 HA PRO A 52 -24.998 36.806 -24.460 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.704 35.252 -22.347 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.072 34.725 -23.978 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.808 33.823 -22.165 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.766 32.862 -23.274 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.232 33.852 -23.884 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.414 33.400 -25.095 1.00 0.00 H new ATOM 806 N GLY A 53 -24.471 38.068 -22.388 1.00 0.00 N ATOM 807 CA GLY A 53 -24.070 39.035 -21.349 1.00 0.00 C ATOM 808 C GLY A 53 -23.658 38.424 -20.001 1.00 0.00 C ATOM 809 O GLY A 53 -22.814 38.987 -19.299 1.00 0.00 O ATOM 0 H GLY A 53 -25.362 38.309 -22.822 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.237 39.627 -21.730 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.898 39.723 -21.178 1.00 0.00 H new ATOM 813 N THR A 54 -24.223 37.269 -19.630 1.00 0.00 N ATOM 814 CA THR A 54 -23.788 36.483 -18.468 1.00 0.00 C ATOM 815 C THR A 54 -23.795 34.968 -18.745 1.00 0.00 C ATOM 816 O THR A 54 -24.469 34.500 -19.666 1.00 0.00 O ATOM 817 CB THR A 54 -24.699 36.740 -17.250 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.040 36.383 -17.527 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.777 38.200 -16.812 1.00 0.00 C ATOM 0 H THR A 54 -25.004 36.849 -20.134 1.00 0.00 H new ATOM 0 HA THR A 54 -22.768 36.806 -18.260 1.00 0.00 H new ATOM 0 HB THR A 54 -24.241 36.137 -16.466 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.594 36.555 -16.737 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.439 38.286 -15.950 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.782 38.552 -16.542 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.166 38.805 -17.631 1.00 0.00 H new ATOM 827 N TRP A 55 -23.048 34.192 -17.948 1.00 0.00 N ATOM 828 CA TRP A 55 -22.922 32.728 -18.059 1.00 0.00 C ATOM 829 C TRP A 55 -22.516 32.085 -16.718 1.00 0.00 C ATOM 830 O TRP A 55 -21.791 32.684 -15.921 1.00 0.00 O ATOM 831 CB TRP A 55 -21.893 32.388 -19.145 1.00 0.00 C ATOM 832 CG TRP A 55 -21.867 30.958 -19.585 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.054 30.006 -19.085 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.653 30.297 -20.622 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.246 28.820 -19.760 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.230 28.936 -20.718 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.669 30.715 -21.505 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.782 28.040 -21.646 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.238 29.825 -22.438 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.797 28.491 -22.510 1.00 0.00 C ATOM 0 H TRP A 55 -22.495 34.577 -17.182 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.896 32.321 -18.331 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.090 33.014 -20.015 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.902 32.655 -18.778 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.355 30.151 -18.275 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.725 27.963 -19.574 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.018 31.736 -21.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.433 27.019 -21.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.017 30.169 -23.102 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.237 27.814 -23.227 1.00 0.00 H new ATOM 851 N LEU A 56 -22.965 30.855 -16.447 1.00 0.00 N ATOM 852 CA LEU A 56 -22.662 30.137 -15.202 1.00 0.00 C ATOM 853 C LEU A 56 -21.182 29.709 -15.144 1.00 0.00 C ATOM 854 O LEU A 56 -20.677 29.037 -16.046 1.00 0.00 O ATOM 855 CB LEU A 56 -23.618 28.935 -15.055 1.00 0.00 C ATOM 856 CG LEU A 56 -24.273 28.817 -13.668 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.344 27.728 -13.686 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.262 28.460 -12.581 1.00 0.00 C ATOM 0 H LEU A 56 -23.553 30.325 -17.090 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.820 30.808 -14.358 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.401 29.014 -15.809 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.066 28.018 -15.263 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.706 29.791 -13.442 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.802 27.652 -12.700 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.107 27.980 -14.422 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.888 26.774 -13.949 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.771 28.388 -11.620 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.796 27.503 -12.817 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.496 29.234 -12.528 1.00 0.00 H new ATOM 870 N CYS A 57 -20.489 30.085 -14.069 1.00 0.00 N ATOM 871 CA CYS A 57 -19.071 29.787 -13.851 1.00 0.00 C ATOM 872 C CYS A 57 -18.851 28.489 -13.057 1.00 0.00 C ATOM 873 O CYS A 57 -19.737 28.022 -12.337 1.00 0.00 O ATOM 874 CB CYS A 57 -18.425 30.981 -13.146 1.00 0.00 C ATOM 875 SG CYS A 57 -18.330 32.377 -14.290 1.00 0.00 S ATOM 0 H CYS A 57 -20.907 30.618 -13.307 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.600 29.624 -14.820 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -19.007 31.257 -12.267 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.427 30.715 -12.797 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.783 33.393 -13.691 1.00 0.00 H new ATOM 881 N ARG A 58 -17.631 27.936 -13.123 1.00 0.00 N ATOM 882 CA ARG A 58 -17.274 26.641 -12.499 1.00 0.00 C ATOM 883 C ARG A 58 -17.218 26.675 -10.961 1.00 0.00 C ATOM 884 O ARG A 58 -17.205 25.620 -10.329 1.00 0.00 O ATOM 885 CB ARG A 58 -15.973 26.076 -13.105 1.00 0.00 C ATOM 886 CG ARG A 58 -16.013 26.011 -14.641 1.00 0.00 C ATOM 887 CD ARG A 58 -14.790 25.291 -15.225 1.00 0.00 C ATOM 888 NE ARG A 58 -14.805 25.340 -16.703 1.00 0.00 N ATOM 889 CZ ARG A 58 -14.451 26.362 -17.464 1.00 0.00 C ATOM 890 NH1 ARG A 58 -13.921 27.446 -16.981 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.625 26.347 -18.751 1.00 0.00 N ATOM 0 H ARG A 58 -16.852 28.375 -13.615 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.093 25.962 -12.736 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.133 26.696 -12.793 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.796 25.077 -12.708 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.920 25.496 -14.957 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.063 27.022 -15.044 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.877 25.755 -14.851 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.780 24.253 -14.892 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.121 24.499 -17.185 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.763 27.533 -15.977 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.663 28.210 -17.606 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.044 25.532 -19.199 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.342 27.150 -19.313 1.00 0.00 H new ATOM 905 N ASN A 59 -17.269 27.868 -10.357 1.00 0.00 N ATOM 906 CA ASN A 59 -17.499 28.056 -8.916 1.00 0.00 C ATOM 907 C ASN A 59 -18.941 27.672 -8.485 1.00 0.00 C ATOM 908 O ASN A 59 -19.219 27.458 -7.305 1.00 0.00 O ATOM 909 CB ASN A 59 -17.193 29.529 -8.599 1.00 0.00 C ATOM 910 CG ASN A 59 -17.363 29.960 -7.148 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.162 29.212 -6.203 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.677 31.218 -6.934 1.00 0.00 N ATOM 0 H ASN A 59 -17.150 28.746 -10.863 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.846 27.391 -8.351 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.166 29.736 -8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.838 30.153 -9.218 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.753 31.569 -5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.845 31.843 -7.722 1.00 0.00 H new ATOM 919 N GLY A 60 -19.866 27.573 -9.445 1.00 0.00 N ATOM 920 CA GLY A 60 -21.300 27.342 -9.225 1.00 0.00 C ATOM 921 C GLY A 60 -22.116 28.633 -9.071 1.00 0.00 C ATOM 922 O GLY A 60 -23.273 28.577 -8.647 1.00 0.00 O ATOM 0 H GLY A 60 -19.629 27.654 -10.434 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.699 26.768 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.428 26.733 -8.330 1.00 0.00 H new ATOM 926 N MET A 61 -21.528 29.791 -9.404 1.00 0.00 N ATOM 927 CA MET A 61 -22.159 31.112 -9.354 1.00 0.00 C ATOM 928 C MET A 61 -22.342 31.697 -10.763 1.00 0.00 C ATOM 929 O MET A 61 -21.522 31.477 -11.656 1.00 0.00 O ATOM 930 CB MET A 61 -21.322 32.019 -8.434 1.00 0.00 C ATOM 931 CG MET A 61 -21.991 33.359 -8.096 1.00 0.00 C ATOM 932 SD MET A 61 -23.656 33.275 -7.375 1.00 0.00 S ATOM 933 CE MET A 61 -23.268 32.597 -5.737 1.00 0.00 C ATOM 0 H MET A 61 -20.562 29.831 -9.728 1.00 0.00 H new ATOM 0 HA MET A 61 -23.164 31.032 -8.939 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.114 31.485 -7.507 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.362 32.215 -8.911 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.345 33.897 -7.402 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.044 33.954 -9.008 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.188 32.483 -5.163 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.788 31.625 -5.850 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.595 33.275 -5.213 1.00 0.00 H new ATOM 943 N GLU A 62 -23.412 32.464 -10.966 1.00 0.00 N ATOM 944 CA GLU A 62 -23.690 33.175 -12.220 1.00 0.00 C ATOM 945 C GLU A 62 -22.661 34.296 -12.435 1.00 0.00 C ATOM 946 O GLU A 62 -22.633 35.287 -11.698 1.00 0.00 O ATOM 947 CB GLU A 62 -25.128 33.720 -12.221 1.00 0.00 C ATOM 948 CG GLU A 62 -26.173 32.595 -12.253 1.00 0.00 C ATOM 949 CD GLU A 62 -27.603 33.167 -12.282 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.185 33.418 -11.197 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.163 33.364 -13.389 1.00 0.00 O ATOM 0 H GLU A 62 -24.125 32.614 -10.252 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.601 32.476 -13.052 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.283 34.333 -11.333 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.268 34.369 -13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -26.011 31.969 -13.130 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.051 31.956 -11.378 1.00 0.00 H new ATOM 958 N GLY A 63 -21.783 34.117 -13.424 1.00 0.00 N ATOM 959 CA GLY A 63 -20.749 35.080 -13.796 1.00 0.00 C ATOM 960 C GLY A 63 -21.225 36.102 -14.831 1.00 0.00 C ATOM 961 O GLY A 63 -22.015 35.771 -15.717 1.00 0.00 O ATOM 0 H GLY A 63 -21.773 33.277 -14.002 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.413 35.606 -12.903 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.887 34.544 -14.193 1.00 0.00 H new ATOM 965 N THR A 64 -20.692 37.325 -14.783 1.00 0.00 N ATOM 966 CA THR A 64 -20.986 38.390 -15.764 1.00 0.00 C ATOM 967 C THR A 64 -19.784 38.696 -16.655 1.00 0.00 C ATOM 968 O THR A 64 -18.651 38.744 -16.177 1.00 0.00 O ATOM 969 CB THR A 64 -21.472 39.674 -15.073 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.603 39.392 -14.273 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.878 40.774 -16.063 1.00 0.00 C ATOM 0 H THR A 64 -20.036 37.614 -14.057 1.00 0.00 H new ATOM 0 HA THR A 64 -21.788 38.013 -16.399 1.00 0.00 H new ATOM 0 HB THR A 64 -20.631 40.031 -14.479 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.907 40.214 -13.834 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.212 41.654 -15.513 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.022 41.038 -16.685 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.689 40.413 -16.696 1.00 0.00 H new ATOM 979 N LEU A 65 -20.039 38.885 -17.952 1.00 0.00 N ATOM 980 CA LEU A 65 -19.041 38.997 -19.021 1.00 0.00 C ATOM 981 C LEU A 65 -18.080 40.181 -18.789 1.00 0.00 C ATOM 982 O LEU A 65 -18.509 41.336 -18.712 1.00 0.00 O ATOM 983 CB LEU A 65 -19.831 39.096 -20.343 1.00 0.00 C ATOM 984 CG LEU A 65 -19.095 38.963 -21.694 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.082 39.341 -22.803 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.857 39.838 -21.884 1.00 0.00 C ATOM 0 H LEU A 65 -20.993 38.968 -18.303 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.385 38.127 -19.047 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.603 38.327 -20.318 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.340 40.060 -20.345 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.741 37.932 -21.724 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.590 39.257 -23.772 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.940 38.669 -22.772 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.420 40.367 -22.656 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.430 39.655 -22.870 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.137 40.888 -21.800 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.120 39.597 -21.118 1.00 0.00 H new