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 35 THR OG1 : rot -64:sc= 0.269 USER MOD Set 1.2: A 37 ASN : amide:sc= 0.602 X(o=0.38,f=0.23) USER MOD Set 1.3: A 59 ASN : amide:sc= -0.494 K(o=0.38,f=1.2) USER MOD Single : A 29 GLN : amide:sc= 0.853 K(o=0.85,f=-0.00078) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.499 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.43 USER MOD Single : A 61 MET CE :methyl 174:sc= 0 (180deg=-0.0357) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.271 31.112 -29.489 1.00 0.00 N ATOM 438 CA GLN A 29 -14.263 32.423 -28.828 1.00 0.00 C ATOM 439 C GLN A 29 -14.237 32.229 -27.304 1.00 0.00 C ATOM 440 O GLN A 29 -15.247 31.914 -26.677 1.00 0.00 O ATOM 441 CB GLN A 29 -15.529 33.222 -29.200 1.00 0.00 C ATOM 442 CG GLN A 29 -15.797 33.389 -30.707 1.00 0.00 C ATOM 443 CD GLN A 29 -17.186 32.892 -31.088 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.001 33.597 -31.666 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.484 31.653 -30.767 1.00 0.00 N ATOM 0 HA GLN A 29 -13.379 32.970 -29.156 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.391 32.731 -28.749 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.456 34.213 -28.751 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.698 34.439 -30.981 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.045 32.840 -31.274 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.798 31.072 -30.285 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.401 31.272 -31.000 1.00 0.00 H new ATOM 454 N ILE A 30 -13.072 32.400 -26.694 1.00 0.00 N ATOM 455 CA ILE A 30 -12.889 32.340 -25.245 1.00 0.00 C ATOM 456 C ILE A 30 -13.233 33.712 -24.653 1.00 0.00 C ATOM 457 O ILE A 30 -12.483 34.679 -24.808 1.00 0.00 O ATOM 458 CB ILE A 30 -11.462 31.874 -24.883 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.159 30.426 -25.327 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.260 31.916 -23.355 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.205 30.095 -26.822 1.00 0.00 C ATOM 0 H ILE A 30 -12.207 32.589 -27.201 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.561 31.599 -24.812 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.793 32.556 -25.409 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.165 30.168 -24.961 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.866 29.769 -24.820 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.250 31.585 -23.112 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.404 32.935 -22.997 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.983 31.257 -22.874 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.970 29.041 -26.969 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.202 30.302 -27.210 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.475 30.707 -27.353 1.00 0.00 H new ATOM 473 N ALA A 31 -14.361 33.777 -23.952 1.00 0.00 N ATOM 474 CA ALA A 31 -14.740 34.893 -23.092 1.00 0.00 C ATOM 475 C ALA A 31 -14.382 34.607 -21.622 1.00 0.00 C ATOM 476 O ALA A 31 -14.185 33.458 -21.221 1.00 0.00 O ATOM 477 CB ALA A 31 -16.235 35.168 -23.281 1.00 0.00 C ATOM 0 H ALA A 31 -15.057 33.032 -23.967 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.180 35.785 -23.372 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.535 36.000 -22.645 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.430 35.420 -24.324 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.805 34.280 -23.010 1.00 0.00 H new ATOM 483 N ARG A 32 -14.326 35.657 -20.799 1.00 0.00 N ATOM 484 CA ARG A 32 -14.203 35.575 -19.333 1.00 0.00 C ATOM 485 C ARG A 32 -15.468 36.087 -18.659 1.00 0.00 C ATOM 486 O ARG A 32 -16.119 36.998 -19.166 1.00 0.00 O ATOM 487 CB ARG A 32 -12.958 36.337 -18.848 1.00 0.00 C ATOM 488 CG ARG A 32 -11.733 35.414 -18.802 1.00 0.00 C ATOM 489 CD ARG A 32 -10.420 36.200 -18.740 1.00 0.00 C ATOM 490 NE ARG A 32 -10.199 36.878 -17.444 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.044 37.319 -16.981 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.914 37.150 -17.608 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.021 37.970 -15.862 1.00 0.00 N ATOM 0 H ARG A 32 -14.366 36.618 -21.139 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.079 34.529 -19.054 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.760 37.178 -19.513 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.144 36.751 -17.857 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.805 34.760 -17.933 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.730 34.773 -19.683 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.590 35.521 -18.932 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.413 36.944 -19.536 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.017 37.018 -16.851 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.895 36.657 -18.501 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.049 37.511 -17.206 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.888 38.136 -15.351 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.136 38.317 -15.492 1.00 0.00 H new ATOM 507 N TYR A 33 -15.776 35.544 -17.486 1.00 0.00 N ATOM 508 CA TYR A 33 -16.901 35.970 -16.659 1.00 0.00 C ATOM 509 C TYR A 33 -16.510 36.011 -15.179 1.00 0.00 C ATOM 510 O TYR A 33 -15.796 35.131 -14.696 1.00 0.00 O ATOM 511 CB TYR A 33 -18.101 35.040 -16.855 1.00 0.00 C ATOM 512 CG TYR A 33 -18.682 34.974 -18.249 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.065 34.199 -19.248 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.875 35.658 -18.528 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.658 34.095 -20.519 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.462 35.570 -19.800 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.877 34.757 -20.784 1.00 0.00 C ATOM 518 OH TYR A 33 -20.513 34.592 -21.969 1.00 0.00 O ATOM 0 H TYR A 33 -15.240 34.780 -17.075 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.180 36.976 -16.972 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.804 34.033 -16.561 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.890 35.352 -16.171 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.138 33.685 -19.039 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.344 36.255 -17.760 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.182 33.510 -21.292 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.361 36.126 -20.021 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.205 35.279 -22.068 1.00 0.00 H new ATOM 528 N ARG A 34 -16.998 37.026 -14.458 1.00 0.00 N ATOM 529 CA ARG A 34 -16.737 37.285 -13.036 1.00 0.00 C ATOM 530 C ARG A 34 -17.970 36.988 -12.185 1.00 0.00 C ATOM 531 O ARG A 34 -19.041 37.536 -12.439 1.00 0.00 O ATOM 532 CB ARG A 34 -16.250 38.737 -12.879 1.00 0.00 C ATOM 533 CG ARG A 34 -15.788 39.035 -11.444 1.00 0.00 C ATOM 534 CD ARG A 34 -14.707 40.120 -11.391 1.00 0.00 C ATOM 535 NE ARG A 34 -15.168 41.432 -11.886 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.492 42.273 -12.653 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.346 41.987 -13.204 1.00 0.00 N ATOM 538 NH2 ARG A 34 -14.978 43.457 -12.894 1.00 0.00 N ATOM 0 H ARG A 34 -17.617 37.725 -14.870 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.956 36.616 -12.675 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.428 38.921 -13.571 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.054 39.421 -13.151 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.644 39.350 -10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.404 38.121 -10.992 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.362 40.229 -10.363 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.850 39.798 -11.982 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.106 41.721 -11.608 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.922 41.072 -13.053 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.873 42.679 -13.786 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.875 43.732 -12.493 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.462 44.110 -13.484 1.00 0.00 H new ATOM 552 N THR A 35 -17.816 36.120 -11.189 1.00 0.00 N ATOM 553 CA THR A 35 -18.874 35.719 -10.245 1.00 0.00 C ATOM 554 C THR A 35 -19.112 36.795 -9.186 1.00 0.00 C ATOM 555 O THR A 35 -18.399 37.800 -9.112 1.00 0.00 O ATOM 556 CB THR A 35 -18.563 34.399 -9.534 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.419 34.538 -8.745 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.362 33.241 -10.491 1.00 0.00 C ATOM 0 H THR A 35 -16.926 35.657 -11.004 1.00 0.00 H new ATOM 0 HA THR A 35 -19.771 35.585 -10.850 1.00 0.00 H new ATOM 0 HB THR A 35 -19.432 34.170 -8.918 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.645 34.716 -9.319 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.145 32.335 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.268 33.093 -11.079 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.528 33.461 -11.158 1.00 0.00 H new ATOM 566 N ASP A 36 -20.083 36.564 -8.303 1.00 0.00 N ATOM 567 CA ASP A 36 -20.445 37.526 -7.265 1.00 0.00 C ATOM 568 C ASP A 36 -19.418 37.621 -6.119 1.00 0.00 C ATOM 569 O ASP A 36 -19.413 38.621 -5.398 1.00 0.00 O ATOM 570 CB ASP A 36 -21.858 37.205 -6.759 1.00 0.00 C ATOM 571 CG ASP A 36 -22.427 38.302 -5.842 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.660 39.437 -6.326 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.686 38.023 -4.646 1.00 0.00 O ATOM 0 H ASP A 36 -20.638 35.708 -8.288 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.437 38.520 -7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.523 37.070 -7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.839 36.259 -6.218 1.00 0.00 H new ATOM 578 N ASN A 37 -18.495 36.653 -5.985 1.00 0.00 N ATOM 579 CA ASN A 37 -17.370 36.791 -5.042 1.00 0.00 C ATOM 580 C ASN A 37 -16.140 37.490 -5.675 1.00 0.00 C ATOM 581 O ASN A 37 -15.099 37.617 -5.028 1.00 0.00 O ATOM 582 CB ASN A 37 -16.980 35.445 -4.418 1.00 0.00 C ATOM 583 CG ASN A 37 -18.107 34.498 -4.052 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.184 34.869 -3.608 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.853 33.220 -4.205 1.00 0.00 N ATOM 0 H ASN A 37 -18.504 35.778 -6.509 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.725 37.440 -4.242 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.318 34.929 -5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.401 35.646 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.557 32.526 -3.953 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.952 32.920 -4.576 1.00 0.00 H new ATOM 592 N GLY A 38 -16.227 37.891 -6.951 1.00 0.00 N ATOM 593 CA GLY A 38 -15.099 38.341 -7.776 1.00 0.00 C ATOM 594 C GLY A 38 -14.308 37.217 -8.444 1.00 0.00 C ATOM 595 O GLY A 38 -13.285 37.489 -9.073 1.00 0.00 O ATOM 0 H GLY A 38 -17.115 37.911 -7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.476 39.010 -8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.421 38.924 -7.153 1.00 0.00 H new ATOM 599 N GLU A 39 -14.744 35.962 -8.315 1.00 0.00 N ATOM 600 CA GLU A 39 -14.034 34.811 -8.891 1.00 0.00 C ATOM 601 C GLU A 39 -14.221 34.818 -10.412 1.00 0.00 C ATOM 602 O GLU A 39 -15.354 34.750 -10.890 1.00 0.00 O ATOM 603 CB GLU A 39 -14.501 33.465 -8.294 1.00 0.00 C ATOM 604 CG GLU A 39 -14.856 33.540 -6.804 1.00 0.00 C ATOM 605 CD GLU A 39 -14.642 32.258 -5.978 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.764 31.420 -6.298 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.345 32.125 -4.947 1.00 0.00 O ATOM 0 H GLU A 39 -15.595 35.712 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.977 34.909 -8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.372 33.115 -8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.714 32.723 -8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.266 34.338 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.903 33.830 -6.718 1.00 0.00 H new ATOM 614 N GLU A 40 -13.137 34.900 -11.177 1.00 0.00 N ATOM 615 CA GLU A 40 -13.194 34.929 -12.646 1.00 0.00 C ATOM 616 C GLU A 40 -12.831 33.578 -13.269 1.00 0.00 C ATOM 617 O GLU A 40 -11.829 32.948 -12.913 1.00 0.00 O ATOM 618 CB GLU A 40 -12.270 36.007 -13.229 1.00 0.00 C ATOM 619 CG GLU A 40 -12.973 37.362 -13.276 1.00 0.00 C ATOM 620 CD GLU A 40 -12.135 38.424 -14.003 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.625 38.138 -15.113 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.005 39.555 -13.480 1.00 0.00 O ATOM 0 H GLU A 40 -12.190 34.949 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.228 35.164 -12.896 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.366 36.083 -12.624 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.958 35.720 -14.233 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.934 37.254 -13.778 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.180 37.698 -12.260 1.00 0.00 H new ATOM 629 N PHE A 41 -13.648 33.173 -14.242 1.00 0.00 N ATOM 630 CA PHE A 41 -13.508 31.944 -15.021 1.00 0.00 C ATOM 631 C PHE A 41 -13.603 32.213 -16.526 1.00 0.00 C ATOM 632 O PHE A 41 -14.142 33.227 -16.971 1.00 0.00 O ATOM 633 CB PHE A 41 -14.581 30.939 -14.594 1.00 0.00 C ATOM 634 CG PHE A 41 -14.464 30.479 -13.152 1.00 0.00 C ATOM 635 CD1 PHE A 41 -15.025 31.226 -12.094 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.741 29.305 -12.861 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.837 30.803 -10.773 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.548 28.894 -11.531 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.093 29.648 -10.482 1.00 0.00 C ATOM 0 H PHE A 41 -14.463 33.719 -14.521 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.519 31.530 -14.824 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.563 31.388 -14.742 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.527 30.068 -15.247 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.596 32.119 -12.302 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.331 28.715 -13.668 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.271 31.374 -9.965 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.981 28.000 -11.317 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.942 29.343 -9.457 1.00 0.00 H new ATOM 649 N GLU A 42 -13.088 31.272 -17.312 1.00 0.00 N ATOM 650 CA GLU A 42 -12.961 31.358 -18.770 1.00 0.00 C ATOM 651 C GLU A 42 -13.887 30.350 -19.464 1.00 0.00 C ATOM 652 O GLU A 42 -13.869 29.158 -19.142 1.00 0.00 O ATOM 653 CB GLU A 42 -11.504 31.144 -19.228 1.00 0.00 C ATOM 654 CG GLU A 42 -10.418 31.798 -18.356 1.00 0.00 C ATOM 655 CD GLU A 42 -9.816 30.814 -17.326 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.563 30.252 -16.487 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.580 30.596 -17.350 1.00 0.00 O ATOM 0 H GLU A 42 -12.732 30.392 -16.939 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.261 32.365 -19.059 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.311 30.072 -19.270 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.404 31.525 -20.244 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.623 32.180 -18.997 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.844 32.653 -17.831 1.00 0.00 H new ATOM 664 N VAL A 43 -14.685 30.815 -20.426 1.00 0.00 N ATOM 665 CA VAL A 43 -15.676 30.004 -21.154 1.00 0.00 C ATOM 666 C VAL A 43 -15.410 30.044 -22.670 1.00 0.00 C ATOM 667 O VAL A 43 -15.635 31.081 -23.303 1.00 0.00 O ATOM 668 CB VAL A 43 -17.114 30.461 -20.838 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.139 29.510 -21.466 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.388 30.542 -19.329 1.00 0.00 C ATOM 0 H VAL A 43 -14.664 31.788 -20.732 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.573 28.973 -20.817 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.213 31.460 -21.263 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.146 29.853 -21.229 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.006 29.494 -22.548 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.995 28.506 -21.068 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.415 30.869 -19.163 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.242 29.560 -18.880 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.702 31.255 -18.872 1.00 0.00 H new ATOM 680 N PRO A 44 -14.956 28.931 -23.280 1.00 0.00 N ATOM 681 CA PRO A 44 -14.866 28.772 -24.728 1.00 0.00 C ATOM 682 C PRO A 44 -16.247 28.549 -25.367 1.00 0.00 C ATOM 683 O PRO A 44 -16.960 27.596 -25.044 1.00 0.00 O ATOM 684 CB PRO A 44 -13.920 27.587 -24.979 1.00 0.00 C ATOM 685 CG PRO A 44 -13.242 27.331 -23.633 1.00 0.00 C ATOM 686 CD PRO A 44 -14.271 27.832 -22.625 1.00 0.00 C ATOM 0 HA PRO A 44 -14.479 29.679 -25.193 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.469 26.708 -25.318 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.188 27.823 -25.751 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.019 26.274 -23.489 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.299 27.871 -23.548 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.970 27.041 -22.352 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.789 28.163 -21.705 1.00 0.00 H new ATOM 694 N PHE A 45 -16.589 29.412 -26.319 1.00 0.00 N ATOM 695 CA PHE A 45 -17.762 29.319 -27.202 1.00 0.00 C ATOM 696 C PHE A 45 -17.362 28.911 -28.619 1.00 0.00 C ATOM 697 O PHE A 45 -16.388 29.426 -29.157 1.00 0.00 O ATOM 698 CB PHE A 45 -18.482 30.669 -27.245 1.00 0.00 C ATOM 699 CG PHE A 45 -19.267 30.971 -25.988 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.621 31.546 -24.876 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.639 30.664 -25.924 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.352 31.817 -23.711 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.365 30.930 -24.748 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.718 31.503 -23.640 1.00 0.00 C ATOM 0 H PHE A 45 -16.029 30.243 -26.511 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.426 28.554 -26.801 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.748 31.459 -27.405 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.158 30.685 -28.100 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.567 31.777 -24.921 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.135 30.224 -26.777 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.861 32.270 -22.863 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.418 30.694 -24.697 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.272 31.702 -22.734 1.00 0.00 H new ATOM 714 N ALA A 46 -18.143 28.058 -29.272 1.00 0.00 N ATOM 715 CA ALA A 46 -17.920 27.657 -30.664 1.00 0.00 C ATOM 716 C ALA A 46 -18.460 28.716 -31.641 1.00 0.00 C ATOM 717 O ALA A 46 -19.327 29.509 -31.281 1.00 0.00 O ATOM 718 CB ALA A 46 -18.562 26.282 -30.889 1.00 0.00 C ATOM 0 H ALA A 46 -18.960 27.618 -28.848 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.850 27.581 -30.859 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.404 25.971 -31.922 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.108 25.554 -30.217 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.632 26.343 -30.688 1.00 0.00 H new ATOM 724 N ASP A 47 -17.996 28.715 -32.891 1.00 0.00 N ATOM 725 CA ASP A 47 -18.441 29.643 -33.947 1.00 0.00 C ATOM 726 C ASP A 47 -19.953 29.540 -34.265 1.00 0.00 C ATOM 727 O ASP A 47 -20.555 30.478 -34.790 1.00 0.00 O ATOM 728 CB ASP A 47 -17.601 29.376 -35.205 1.00 0.00 C ATOM 729 CG ASP A 47 -17.901 30.362 -36.348 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.547 31.559 -36.224 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.451 29.933 -37.392 1.00 0.00 O ATOM 0 H ASP A 47 -17.285 28.057 -33.211 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.291 30.661 -33.586 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.543 29.436 -34.949 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.788 28.359 -35.551 1.00 0.00 H new ATOM 736 N ASP A 48 -20.588 28.419 -33.903 1.00 0.00 N ATOM 737 CA ASP A 48 -22.045 28.212 -33.971 1.00 0.00 C ATOM 738 C ASP A 48 -22.832 29.010 -32.902 1.00 0.00 C ATOM 739 O ASP A 48 -24.053 29.152 -32.999 1.00 0.00 O ATOM 740 CB ASP A 48 -22.308 26.704 -33.844 1.00 0.00 C ATOM 741 CG ASP A 48 -23.772 26.323 -34.128 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.238 26.515 -35.277 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.449 25.784 -33.217 1.00 0.00 O ATOM 0 H ASP A 48 -20.090 27.605 -33.543 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.406 28.592 -34.926 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.658 26.168 -34.536 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.042 26.378 -32.839 1.00 0.00 H new ATOM 748 N ALA A 49 -22.136 29.545 -31.892 1.00 0.00 N ATOM 749 CA ALA A 49 -22.675 30.313 -30.767 1.00 0.00 C ATOM 750 C ALA A 49 -22.091 31.741 -30.692 1.00 0.00 C ATOM 751 O ALA A 49 -21.020 32.030 -31.230 1.00 0.00 O ATOM 752 CB ALA A 49 -22.404 29.526 -29.476 1.00 0.00 C ATOM 0 H ALA A 49 -21.122 29.447 -31.836 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.748 30.443 -30.908 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.797 30.079 -28.623 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.892 28.553 -29.534 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.330 29.386 -29.354 1.00 0.00 H new ATOM 758 N GLU A 50 -22.783 32.635 -29.979 1.00 0.00 N ATOM 759 CA GLU A 50 -22.326 33.998 -29.663 1.00 0.00 C ATOM 760 C GLU A 50 -22.487 34.304 -28.168 1.00 0.00 C ATOM 761 O GLU A 50 -23.486 33.931 -27.552 1.00 0.00 O ATOM 762 CB GLU A 50 -23.079 35.046 -30.500 1.00 0.00 C ATOM 763 CG GLU A 50 -22.599 35.070 -31.955 1.00 0.00 C ATOM 764 CD GLU A 50 -23.408 36.083 -32.787 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.013 37.274 -32.857 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.446 35.700 -33.383 1.00 0.00 O ATOM 0 H GLU A 50 -23.704 32.427 -29.593 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.267 34.051 -29.915 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.147 34.831 -30.474 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.941 36.032 -30.056 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.541 35.329 -31.988 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.697 34.076 -32.390 1.00 0.00 H new ATOM 773 N ILE A 51 -21.493 34.999 -27.610 1.00 0.00 N ATOM 774 CA ILE A 51 -21.308 35.332 -26.191 1.00 0.00 C ATOM 775 C ILE A 51 -22.532 36.063 -25.609 1.00 0.00 C ATOM 776 O ILE A 51 -22.786 37.224 -25.956 1.00 0.00 O ATOM 777 CB ILE A 51 -20.044 36.195 -25.963 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.812 35.768 -26.797 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.682 36.224 -24.468 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.274 34.362 -26.527 1.00 0.00 C ATOM 0 H ILE A 51 -20.736 35.374 -28.182 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.185 34.382 -25.671 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.307 37.193 -26.313 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.071 35.840 -27.853 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.010 36.483 -26.616 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.791 36.834 -24.321 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.510 36.649 -23.901 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.488 35.209 -24.121 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.412 34.173 -27.167 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -17.974 34.282 -25.482 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.051 33.628 -26.739 1.00 0.00 H new ATOM 792 N PRO A 52 -23.298 35.414 -24.723 1.00 0.00 N ATOM 793 CA PRO A 52 -24.325 36.065 -23.926 1.00 0.00 C ATOM 794 C PRO A 52 -23.691 36.947 -22.837 1.00 0.00 C ATOM 795 O PRO A 52 -22.614 36.643 -22.316 1.00 0.00 O ATOM 796 CB PRO A 52 -25.154 34.918 -23.350 1.00 0.00 C ATOM 797 CG PRO A 52 -24.154 33.770 -23.227 1.00 0.00 C ATOM 798 CD PRO A 52 -23.143 34.023 -24.338 1.00 0.00 C ATOM 0 HA PRO A 52 -24.950 36.743 -24.508 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.582 35.181 -22.383 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -25.984 34.656 -24.006 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.675 33.765 -22.248 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.643 32.803 -23.348 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.128 33.826 -23.992 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.324 33.363 -25.186 1.00 0.00 H new ATOM 806 N GLY A 53 -24.383 38.028 -22.467 1.00 0.00 N ATOM 807 CA GLY A 53 -23.974 38.999 -21.436 1.00 0.00 C ATOM 808 C GLY A 53 -23.550 38.385 -20.093 1.00 0.00 C ATOM 809 O GLY A 53 -22.701 38.946 -19.396 1.00 0.00 O ATOM 0 H GLY A 53 -25.280 38.264 -22.891 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.145 39.591 -21.825 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.801 39.687 -21.258 1.00 0.00 H new ATOM 813 N THR A 54 -24.113 37.230 -19.724 1.00 0.00 N ATOM 814 CA THR A 54 -23.684 36.446 -18.560 1.00 0.00 C ATOM 815 C THR A 54 -23.681 34.932 -18.828 1.00 0.00 C ATOM 816 O THR A 54 -24.337 34.457 -19.760 1.00 0.00 O ATOM 817 CB THR A 54 -24.610 36.699 -17.350 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.944 36.332 -17.646 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.707 38.158 -16.915 1.00 0.00 C ATOM 0 H THR A 54 -24.890 36.807 -20.232 1.00 0.00 H new ATOM 0 HA THR A 54 -22.666 36.774 -18.349 1.00 0.00 H new ATOM 0 HB THR A 54 -24.155 36.103 -16.559 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.511 36.500 -16.864 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.378 38.239 -16.060 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.718 38.521 -16.635 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.094 38.758 -17.738 1.00 0.00 H new ATOM 827 N TRP A 55 -22.946 34.164 -18.013 1.00 0.00 N ATOM 828 CA TRP A 55 -22.807 32.704 -18.125 1.00 0.00 C ATOM 829 C TRP A 55 -22.422 32.049 -16.782 1.00 0.00 C ATOM 830 O TRP A 55 -21.693 32.634 -15.980 1.00 0.00 O ATOM 831 CB TRP A 55 -21.748 32.388 -19.188 1.00 0.00 C ATOM 832 CG TRP A 55 -21.693 30.956 -19.620 1.00 0.00 C ATOM 833 CD1 TRP A 55 -20.884 30.015 -19.091 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.465 30.272 -20.654 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.059 28.817 -19.752 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.038 28.911 -20.717 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.476 30.668 -21.555 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.583 27.992 -21.626 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.040 29.753 -22.466 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.596 28.418 -22.505 1.00 0.00 C ATOM 0 H TRP A 55 -22.415 34.552 -17.233 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.773 32.290 -18.414 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -21.937 33.009 -20.064 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.770 32.673 -18.801 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.200 30.176 -18.271 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.530 27.968 -19.552 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.824 31.690 -21.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.230 26.972 -21.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.819 30.079 -23.140 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.031 27.723 -23.207 1.00 0.00 H new ATOM 851 N LEU A 56 -22.887 30.824 -16.516 1.00 0.00 N ATOM 852 CA LEU A 56 -22.606 30.099 -15.270 1.00 0.00 C ATOM 853 C LEU A 56 -21.134 29.643 -15.198 1.00 0.00 C ATOM 854 O LEU A 56 -20.633 28.957 -16.091 1.00 0.00 O ATOM 855 CB LEU A 56 -23.588 28.918 -15.129 1.00 0.00 C ATOM 856 CG LEU A 56 -24.242 28.809 -13.741 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.361 27.769 -13.769 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.243 28.389 -12.666 1.00 0.00 C ATOM 0 H LEU A 56 -23.475 30.302 -17.165 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.756 30.773 -14.427 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.371 29.018 -15.881 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.057 27.990 -15.343 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.630 29.798 -13.499 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.818 27.699 -12.782 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.115 28.066 -14.498 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.949 26.799 -14.048 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.750 28.325 -11.703 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.823 27.416 -12.920 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.442 29.126 -12.606 1.00 0.00 H new ATOM 870 N CYS A 57 -20.448 30.015 -14.119 1.00 0.00 N ATOM 871 CA CYS A 57 -19.027 29.736 -13.894 1.00 0.00 C ATOM 872 C CYS A 57 -18.788 28.490 -13.028 1.00 0.00 C ATOM 873 O CYS A 57 -19.673 28.038 -12.297 1.00 0.00 O ATOM 874 CB CYS A 57 -18.388 30.980 -13.272 1.00 0.00 C ATOM 875 SG CYS A 57 -18.316 32.291 -14.516 1.00 0.00 S ATOM 0 H CYS A 57 -20.877 30.535 -13.353 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.561 29.510 -14.853 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.968 31.310 -12.410 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.386 30.748 -12.911 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.776 33.353 -13.996 1.00 0.00 H new ATOM 881 N ARG A 58 -17.554 27.960 -13.054 1.00 0.00 N ATOM 882 CA ARG A 58 -17.179 26.696 -12.380 1.00 0.00 C ATOM 883 C ARG A 58 -17.192 26.768 -10.844 1.00 0.00 C ATOM 884 O ARG A 58 -17.211 25.729 -10.187 1.00 0.00 O ATOM 885 CB ARG A 58 -15.818 26.179 -12.892 1.00 0.00 C ATOM 886 CG ARG A 58 -15.740 26.060 -14.422 1.00 0.00 C ATOM 887 CD ARG A 58 -14.404 25.448 -14.868 1.00 0.00 C ATOM 888 NE ARG A 58 -14.314 25.361 -16.339 1.00 0.00 N ATOM 889 CZ ARG A 58 -14.105 26.337 -17.200 1.00 0.00 C ATOM 890 NH1 ARG A 58 -13.874 27.566 -16.846 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.131 26.080 -18.470 1.00 0.00 N ATOM 0 H ARG A 58 -16.777 28.399 -13.548 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.960 25.984 -12.647 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.031 26.850 -12.548 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.620 25.203 -12.450 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.563 25.443 -14.783 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.859 27.046 -14.872 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.581 26.052 -14.487 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.296 24.453 -14.436 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.428 24.430 -16.739 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.848 27.816 -15.857 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.719 28.281 -17.557 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.312 25.130 -18.795 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.971 26.828 -19.145 1.00 0.00 H new ATOM 905 N ASN A 59 -17.257 27.976 -10.270 1.00 0.00 N ATOM 906 CA ASN A 59 -17.526 28.194 -8.840 1.00 0.00 C ATOM 907 C ASN A 59 -18.966 27.782 -8.431 1.00 0.00 C ATOM 908 O ASN A 59 -19.264 27.583 -7.252 1.00 0.00 O ATOM 909 CB ASN A 59 -17.265 29.681 -8.552 1.00 0.00 C ATOM 910 CG ASN A 59 -17.482 30.146 -7.119 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.299 29.424 -6.149 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.828 31.402 -6.946 1.00 0.00 N ATOM 0 H ASN A 59 -17.123 28.842 -10.792 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.869 27.561 -8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.236 29.907 -8.831 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.909 30.272 -9.203 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.944 31.774 -6.003 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.981 32.005 -7.754 1.00 0.00 H new ATOM 919 N GLY A 60 -19.865 27.632 -9.408 1.00 0.00 N ATOM 920 CA GLY A 60 -21.294 27.357 -9.218 1.00 0.00 C ATOM 921 C GLY A 60 -22.159 28.621 -9.125 1.00 0.00 C ATOM 922 O GLY A 60 -23.318 28.535 -8.715 1.00 0.00 O ATOM 0 H GLY A 60 -19.608 27.701 -10.393 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.650 26.744 -10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.424 26.771 -8.308 1.00 0.00 H new ATOM 926 N MET A 61 -21.609 29.787 -9.493 1.00 0.00 N ATOM 927 CA MET A 61 -22.298 31.081 -9.502 1.00 0.00 C ATOM 928 C MET A 61 -22.423 31.642 -10.924 1.00 0.00 C ATOM 929 O MET A 61 -21.556 31.425 -11.773 1.00 0.00 O ATOM 930 CB MET A 61 -21.567 32.050 -8.552 1.00 0.00 C ATOM 931 CG MET A 61 -22.353 33.338 -8.262 1.00 0.00 C ATOM 932 SD MET A 61 -24.049 33.090 -7.658 1.00 0.00 S ATOM 933 CE MET A 61 -24.615 34.810 -7.570 1.00 0.00 C ATOM 0 H MET A 61 -20.640 29.855 -9.803 1.00 0.00 H new ATOM 0 HA MET A 61 -23.318 30.949 -9.142 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.364 31.539 -7.611 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.603 32.313 -8.987 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.803 33.922 -7.524 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.393 33.934 -9.174 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.675 34.832 -7.317 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.049 35.341 -6.805 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.462 35.293 -8.535 1.00 0.00 H new ATOM 943 N GLU A 62 -23.490 32.396 -11.186 1.00 0.00 N ATOM 944 CA GLU A 62 -23.681 33.133 -12.440 1.00 0.00 C ATOM 945 C GLU A 62 -22.619 34.237 -12.572 1.00 0.00 C ATOM 946 O GLU A 62 -22.620 35.218 -11.825 1.00 0.00 O ATOM 947 CB GLU A 62 -25.105 33.708 -12.515 1.00 0.00 C ATOM 948 CG GLU A 62 -26.166 32.605 -12.632 1.00 0.00 C ATOM 949 CD GLU A 62 -27.581 33.205 -12.742 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.216 33.476 -11.693 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.075 33.404 -13.879 1.00 0.00 O ATOM 0 H GLU A 62 -24.258 32.515 -10.526 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.559 32.447 -13.278 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.301 34.307 -11.626 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.181 34.377 -13.373 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.960 31.989 -13.507 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.112 31.950 -11.762 1.00 0.00 H new ATOM 958 N GLY A 63 -21.689 34.054 -13.509 1.00 0.00 N ATOM 959 CA GLY A 63 -20.661 35.030 -13.854 1.00 0.00 C ATOM 960 C GLY A 63 -21.158 36.055 -14.875 1.00 0.00 C ATOM 961 O GLY A 63 -21.925 35.716 -15.777 1.00 0.00 O ATOM 0 H GLY A 63 -21.630 33.199 -14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.336 35.547 -12.951 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.790 34.512 -14.256 1.00 0.00 H new ATOM 965 N THR A 64 -20.683 37.295 -14.786 1.00 0.00 N ATOM 966 CA THR A 64 -20.959 38.347 -15.781 1.00 0.00 C ATOM 967 C THR A 64 -19.747 38.620 -16.657 1.00 0.00 C ATOM 968 O THR A 64 -18.623 38.629 -16.165 1.00 0.00 O ATOM 969 CB THR A 64 -21.422 39.651 -15.115 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.556 39.412 -14.304 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.815 40.739 -16.121 1.00 0.00 C ATOM 0 H THR A 64 -20.090 37.608 -14.017 1.00 0.00 H new ATOM 0 HA THR A 64 -21.767 37.974 -16.411 1.00 0.00 H new ATOM 0 HB THR A 64 -20.569 39.999 -14.533 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.840 40.250 -13.884 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.132 41.633 -15.584 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.958 40.979 -16.751 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.634 40.380 -16.744 1.00 0.00 H new ATOM 979 N LEU A 65 -19.976 38.832 -17.953 1.00 0.00 N ATOM 980 CA LEU A 65 -18.948 39.060 -18.966 1.00 0.00 C ATOM 981 C LEU A 65 -18.076 40.293 -18.660 1.00 0.00 C ATOM 982 O LEU A 65 -18.591 41.407 -18.529 1.00 0.00 O ATOM 983 CB LEU A 65 -19.682 39.178 -20.316 1.00 0.00 C ATOM 984 CG LEU A 65 -18.780 39.188 -21.561 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.181 37.827 -21.839 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.594 39.614 -22.783 1.00 0.00 C ATOM 0 H LEU A 65 -20.920 38.850 -18.340 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.241 38.230 -18.984 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.382 38.347 -20.403 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.273 40.094 -20.310 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.970 39.891 -21.367 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.551 37.881 -22.727 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.579 37.513 -20.986 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -18.980 37.105 -22.004 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.952 39.620 -23.664 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.414 38.912 -22.937 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.997 40.614 -22.621 1.00 0.00 H new