USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 267 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= 0.937 K(o=0.84,f=-0.006) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0988 X(o=0.84,f=1) USER MOD Single : A 29 GLN : amide:sc= 0.803 K(o=0.8,f=-0.0051) USER MOD Single : A 33 TYR OH : rot 20:sc= 0.338 USER MOD Single : A 35 THR OG1 : rot -65:sc= 0.293 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 61 MET CE :methyl 174:sc= 0 (180deg=-0.0432) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.264 31.068 -29.413 1.00 0.00 N ATOM 438 CA GLN A 29 -14.259 32.400 -28.794 1.00 0.00 C ATOM 439 C GLN A 29 -14.223 32.261 -27.267 1.00 0.00 C ATOM 440 O GLN A 29 -15.229 31.956 -26.627 1.00 0.00 O ATOM 441 CB GLN A 29 -15.524 33.191 -29.182 1.00 0.00 C ATOM 442 CG GLN A 29 -15.776 33.340 -30.694 1.00 0.00 C ATOM 443 CD GLN A 29 -17.163 32.839 -31.072 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.979 33.536 -31.662 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.461 31.606 -30.730 1.00 0.00 N ATOM 0 HA GLN A 29 -13.377 32.933 -29.149 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.389 32.702 -28.734 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.458 34.186 -28.743 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.674 34.386 -30.981 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.021 32.782 -31.248 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.775 31.033 -30.239 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.378 31.222 -30.956 1.00 0.00 H new ATOM 454 N ILE A 30 -13.059 32.472 -26.669 1.00 0.00 N ATOM 455 CA ILE A 30 -12.879 32.499 -25.220 1.00 0.00 C ATOM 456 C ILE A 30 -13.333 33.865 -24.695 1.00 0.00 C ATOM 457 O ILE A 30 -12.666 34.883 -24.896 1.00 0.00 O ATOM 458 CB ILE A 30 -11.420 32.172 -24.835 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.987 30.728 -25.178 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.235 32.331 -23.311 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.130 30.229 -26.621 1.00 0.00 C ATOM 0 H ILE A 30 -12.194 32.633 -27.186 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.492 31.728 -24.753 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.809 32.866 -25.413 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.939 30.624 -24.897 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.557 30.054 -24.539 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.204 32.099 -23.043 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.463 33.357 -23.022 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.907 31.649 -22.790 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.781 29.198 -26.686 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.177 30.277 -26.921 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.534 30.856 -27.284 1.00 0.00 H new ATOM 473 N ALA A 31 -14.458 33.862 -23.987 1.00 0.00 N ATOM 474 CA ALA A 31 -14.879 34.950 -23.111 1.00 0.00 C ATOM 475 C ALA A 31 -14.494 34.658 -21.650 1.00 0.00 C ATOM 476 O ALA A 31 -14.296 33.506 -21.256 1.00 0.00 O ATOM 477 CB ALA A 31 -16.386 35.164 -23.279 1.00 0.00 C ATOM 0 H ALA A 31 -15.118 33.084 -24.007 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.364 35.870 -23.388 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.713 35.975 -22.629 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.604 35.420 -24.316 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.915 34.249 -23.012 1.00 0.00 H new ATOM 483 N ARG A 32 -14.425 35.711 -20.831 1.00 0.00 N ATOM 484 CA ARG A 32 -14.295 35.623 -19.365 1.00 0.00 C ATOM 485 C ARG A 32 -15.582 36.083 -18.691 1.00 0.00 C ATOM 486 O ARG A 32 -16.271 36.960 -19.208 1.00 0.00 O ATOM 487 CB ARG A 32 -13.073 36.426 -18.865 1.00 0.00 C ATOM 488 CG ARG A 32 -11.917 35.488 -18.513 1.00 0.00 C ATOM 489 CD ARG A 32 -10.680 36.235 -18.009 1.00 0.00 C ATOM 490 NE ARG A 32 -9.745 35.298 -17.352 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.227 35.368 -16.138 1.00 0.00 C ATOM 492 NH1 ARG A 32 -9.441 36.351 -15.310 1.00 0.00 N ATOM 493 NH2 ARG A 32 -8.466 34.401 -15.716 1.00 0.00 N ATOM 0 H ARG A 32 -14.458 36.672 -21.171 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.127 34.580 -19.095 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.755 37.130 -19.634 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.351 37.013 -17.990 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.246 34.783 -17.750 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.649 34.903 -19.393 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.182 36.731 -18.842 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.978 37.013 -17.307 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.462 34.491 -17.908 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.040 37.129 -15.586 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.009 36.343 -14.386 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.275 33.601 -16.320 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.060 34.442 -14.781 1.00 0.00 H new ATOM 507 N TYR A 33 -15.874 35.546 -17.511 1.00 0.00 N ATOM 508 CA TYR A 33 -17.005 35.951 -16.677 1.00 0.00 C ATOM 509 C TYR A 33 -16.604 36.005 -15.200 1.00 0.00 C ATOM 510 O TYR A 33 -15.873 35.137 -14.718 1.00 0.00 O ATOM 511 CB TYR A 33 -18.197 35.009 -16.862 1.00 0.00 C ATOM 512 CG TYR A 33 -18.772 34.933 -18.258 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.143 34.151 -19.242 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.958 35.623 -18.556 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.717 34.039 -20.519 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.531 35.522 -19.834 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.935 34.692 -20.802 1.00 0.00 C ATOM 518 OH TYR A 33 -20.569 34.483 -21.980 1.00 0.00 O ATOM 0 H TYR A 33 -15.318 34.798 -17.096 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.304 36.950 -16.995 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.893 34.007 -16.561 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.989 35.320 -16.181 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.220 33.637 -19.017 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.431 36.233 -17.800 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.227 33.454 -21.283 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.425 36.079 -20.073 1.00 0.00 H new ATOM 0 HH TYR A 33 -20.250 33.647 -22.379 1.00 0.00 H new ATOM 528 N ARG A 34 -17.089 37.027 -14.486 1.00 0.00 N ATOM 529 CA ARG A 34 -16.804 37.302 -13.071 1.00 0.00 C ATOM 530 C ARG A 34 -18.013 36.977 -12.200 1.00 0.00 C ATOM 531 O ARG A 34 -19.101 37.504 -12.435 1.00 0.00 O ATOM 532 CB ARG A 34 -16.348 38.765 -12.918 1.00 0.00 C ATOM 533 CG ARG A 34 -15.897 39.070 -11.480 1.00 0.00 C ATOM 534 CD ARG A 34 -14.860 40.198 -11.414 1.00 0.00 C ATOM 535 NE ARG A 34 -15.369 41.486 -11.921 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.731 42.344 -12.702 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.579 42.095 -13.258 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.263 43.507 -12.952 1.00 0.00 N ATOM 0 H ARG A 34 -17.719 37.716 -14.896 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.994 36.658 -12.728 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.528 38.965 -13.607 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.165 39.432 -13.193 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.765 39.344 -10.881 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.476 38.168 -11.036 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.535 40.324 -10.381 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.982 39.909 -11.991 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.315 41.744 -11.640 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.120 41.198 -13.101 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.136 42.797 -13.851 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.166 43.752 -12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.776 44.172 -13.553 1.00 0.00 H new ATOM 552 N THR A 35 -17.814 36.116 -11.208 1.00 0.00 N ATOM 553 CA THR A 35 -18.842 35.691 -10.242 1.00 0.00 C ATOM 554 C THR A 35 -19.090 36.767 -9.185 1.00 0.00 C ATOM 555 O THR A 35 -18.402 37.790 -9.130 1.00 0.00 O ATOM 556 CB THR A 35 -18.478 34.387 -9.525 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.325 34.575 -8.760 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.257 33.222 -10.471 1.00 0.00 C ATOM 0 H THR A 35 -16.909 35.677 -11.042 1.00 0.00 H new ATOM 0 HA THR A 35 -19.745 35.526 -10.830 1.00 0.00 H new ATOM 0 HB THR A 35 -19.330 34.134 -8.894 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.567 34.765 -9.352 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.003 32.331 -9.897 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.168 33.039 -11.042 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.442 33.458 -11.155 1.00 0.00 H new ATOM 566 N ASP A 36 -20.037 36.516 -8.282 1.00 0.00 N ATOM 567 CA ASP A 36 -20.400 37.475 -7.241 1.00 0.00 C ATOM 568 C ASP A 36 -19.353 37.601 -6.118 1.00 0.00 C ATOM 569 O ASP A 36 -19.351 38.609 -5.408 1.00 0.00 O ATOM 570 CB ASP A 36 -21.795 37.125 -6.704 1.00 0.00 C ATOM 571 CG ASP A 36 -22.367 38.214 -5.779 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.638 39.340 -6.264 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.589 37.936 -4.576 1.00 0.00 O ATOM 0 H ASP A 36 -20.571 35.647 -8.252 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.424 38.466 -7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.475 36.973 -7.542 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.744 36.182 -6.160 1.00 0.00 H new ATOM 578 N ASN A 37 -18.410 36.649 -5.990 1.00 0.00 N ATOM 579 CA ASN A 37 -17.274 36.812 -5.066 1.00 0.00 C ATOM 580 C ASN A 37 -16.062 37.521 -5.722 1.00 0.00 C ATOM 581 O ASN A 37 -15.008 37.654 -5.096 1.00 0.00 O ATOM 582 CB ASN A 37 -16.861 35.480 -4.426 1.00 0.00 C ATOM 583 CG ASN A 37 -17.976 34.525 -4.046 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.041 34.888 -3.564 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.729 33.250 -4.233 1.00 0.00 N ATOM 0 H ASN A 37 -18.412 35.770 -6.508 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.626 37.468 -4.270 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.194 34.964 -5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.283 35.700 -3.529 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.427 32.552 -3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.839 32.957 -4.635 1.00 0.00 H new ATOM 592 N GLY A 38 -16.179 37.926 -6.994 1.00 0.00 N ATOM 593 CA GLY A 38 -15.072 38.400 -7.836 1.00 0.00 C ATOM 594 C GLY A 38 -14.266 37.292 -8.514 1.00 0.00 C ATOM 595 O GLY A 38 -13.256 37.585 -9.155 1.00 0.00 O ATOM 0 H GLY A 38 -17.075 37.933 -7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.475 39.060 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.398 38.998 -7.223 1.00 0.00 H new ATOM 599 N GLU A 39 -14.677 36.030 -8.379 1.00 0.00 N ATOM 600 CA GLU A 39 -13.957 34.890 -8.963 1.00 0.00 C ATOM 601 C GLU A 39 -14.174 34.896 -10.481 1.00 0.00 C ATOM 602 O GLU A 39 -15.314 34.809 -10.936 1.00 0.00 O ATOM 603 CB GLU A 39 -14.393 33.541 -8.351 1.00 0.00 C ATOM 604 CG GLU A 39 -14.725 33.620 -6.855 1.00 0.00 C ATOM 605 CD GLU A 39 -14.476 32.346 -6.028 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.508 31.590 -6.287 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.247 32.136 -5.059 1.00 0.00 O ATOM 0 H GLU A 39 -15.517 35.766 -7.863 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.897 34.999 -8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.267 33.174 -8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.597 32.811 -8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.141 34.430 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.775 33.893 -6.753 1.00 0.00 H new ATOM 614 N GLU A 40 -13.108 34.997 -11.269 1.00 0.00 N ATOM 615 CA GLU A 40 -13.198 35.026 -12.736 1.00 0.00 C ATOM 616 C GLU A 40 -12.822 33.677 -13.359 1.00 0.00 C ATOM 617 O GLU A 40 -11.787 33.084 -13.039 1.00 0.00 O ATOM 618 CB GLU A 40 -12.294 36.109 -13.340 1.00 0.00 C ATOM 619 CG GLU A 40 -12.945 37.491 -13.291 1.00 0.00 C ATOM 620 CD GLU A 40 -12.084 38.575 -13.975 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.409 38.281 -14.992 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.103 39.735 -13.497 1.00 0.00 O ATOM 0 H GLU A 40 -12.154 35.061 -10.914 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.239 35.252 -12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.348 36.135 -12.799 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.063 35.853 -14.374 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.920 37.447 -13.776 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.118 37.771 -12.252 1.00 0.00 H new ATOM 629 N PHE A 41 -13.664 33.231 -14.293 1.00 0.00 N ATOM 630 CA PHE A 41 -13.503 31.997 -15.064 1.00 0.00 C ATOM 631 C PHE A 41 -13.616 32.255 -16.568 1.00 0.00 C ATOM 632 O PHE A 41 -14.185 33.257 -17.003 1.00 0.00 O ATOM 633 CB PHE A 41 -14.552 30.972 -14.625 1.00 0.00 C ATOM 634 CG PHE A 41 -14.398 30.508 -13.188 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.938 31.251 -12.117 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.670 29.334 -12.920 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.723 30.824 -10.801 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.449 28.917 -11.596 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.970 29.669 -10.533 1.00 0.00 C ATOM 0 H PHE A 41 -14.511 33.741 -14.543 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.505 31.604 -14.869 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.544 31.406 -14.752 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.496 30.105 -15.284 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.514 32.144 -12.311 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.278 28.748 -13.738 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.141 31.390 -9.982 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.880 28.021 -11.398 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.793 29.361 -9.513 1.00 0.00 H new ATOM 649 N GLU A 42 -13.101 31.325 -17.367 1.00 0.00 N ATOM 650 CA GLU A 42 -13.066 31.403 -18.824 1.00 0.00 C ATOM 651 C GLU A 42 -14.027 30.391 -19.448 1.00 0.00 C ATOM 652 O GLU A 42 -14.038 29.212 -19.078 1.00 0.00 O ATOM 653 CB GLU A 42 -11.644 31.188 -19.371 1.00 0.00 C ATOM 654 CG GLU A 42 -10.571 32.049 -18.688 1.00 0.00 C ATOM 655 CD GLU A 42 -9.800 31.390 -17.525 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.173 30.299 -17.031 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.802 32.011 -17.083 1.00 0.00 O ATOM 0 H GLU A 42 -12.683 30.468 -17.006 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.385 32.408 -19.100 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.378 30.137 -19.257 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.641 31.403 -20.439 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.849 32.359 -19.444 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.048 32.954 -18.312 1.00 0.00 H new ATOM 664 N VAL A 43 -14.819 30.850 -20.418 1.00 0.00 N ATOM 665 CA VAL A 43 -15.780 30.027 -21.164 1.00 0.00 C ATOM 666 C VAL A 43 -15.458 30.080 -22.667 1.00 0.00 C ATOM 667 O VAL A 43 -15.657 31.123 -23.298 1.00 0.00 O ATOM 668 CB VAL A 43 -17.230 30.465 -20.894 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.217 29.482 -21.535 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.554 30.576 -19.398 1.00 0.00 C ATOM 0 H VAL A 43 -14.812 31.826 -20.716 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.688 28.997 -20.820 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.332 31.456 -21.337 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.238 29.808 -21.334 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.052 29.451 -22.612 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.064 28.488 -21.116 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.591 30.889 -19.272 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.407 29.607 -18.921 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.895 31.311 -18.937 1.00 0.00 H new ATOM 680 N PRO A 44 -14.967 28.978 -23.268 1.00 0.00 N ATOM 681 CA PRO A 44 -14.786 28.864 -24.712 1.00 0.00 C ATOM 682 C PRO A 44 -16.119 28.550 -25.413 1.00 0.00 C ATOM 683 O PRO A 44 -16.719 27.497 -25.187 1.00 0.00 O ATOM 684 CB PRO A 44 -13.744 27.755 -24.901 1.00 0.00 C ATOM 685 CG PRO A 44 -13.894 26.873 -23.661 1.00 0.00 C ATOM 686 CD PRO A 44 -14.422 27.815 -22.579 1.00 0.00 C ATOM 0 HA PRO A 44 -14.445 29.796 -25.162 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.927 27.190 -25.815 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.737 28.165 -24.977 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.585 26.050 -23.841 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.941 26.431 -23.371 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.189 27.325 -21.980 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.624 28.108 -21.897 1.00 0.00 H new ATOM 694 N PHE A 45 -16.568 29.444 -26.294 1.00 0.00 N ATOM 695 CA PHE A 45 -17.747 29.302 -27.164 1.00 0.00 C ATOM 696 C PHE A 45 -17.351 28.872 -28.575 1.00 0.00 C ATOM 697 O PHE A 45 -16.371 29.371 -29.115 1.00 0.00 O ATOM 698 CB PHE A 45 -18.492 30.640 -27.241 1.00 0.00 C ATOM 699 CG PHE A 45 -19.306 30.951 -26.005 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.678 31.511 -24.878 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.686 30.672 -25.976 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.427 31.779 -23.724 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.435 30.949 -24.819 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.803 31.498 -23.690 1.00 0.00 C ATOM 0 H PHE A 45 -16.096 30.338 -26.431 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.390 28.533 -26.735 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.769 31.440 -27.401 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.153 30.629 -28.108 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.622 31.734 -24.902 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.169 30.245 -26.843 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.944 32.204 -22.857 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.494 30.740 -24.798 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.375 31.704 -22.797 1.00 0.00 H new ATOM 714 N ALA A 46 -18.144 28.030 -29.225 1.00 0.00 N ATOM 715 CA ALA A 46 -17.928 27.634 -30.618 1.00 0.00 C ATOM 716 C ALA A 46 -18.442 28.717 -31.585 1.00 0.00 C ATOM 717 O ALA A 46 -19.324 29.498 -31.234 1.00 0.00 O ATOM 718 CB ALA A 46 -18.624 26.287 -30.846 1.00 0.00 C ATOM 0 H ALA A 46 -18.964 27.597 -28.800 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.862 27.526 -30.817 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.476 25.971 -31.879 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.200 25.540 -30.174 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.691 26.390 -30.647 1.00 0.00 H new ATOM 724 N ASP A 47 -17.931 28.754 -32.816 1.00 0.00 N ATOM 725 CA ASP A 47 -18.332 29.721 -33.858 1.00 0.00 C ATOM 726 C ASP A 47 -19.832 29.646 -34.231 1.00 0.00 C ATOM 727 O ASP A 47 -20.399 30.607 -34.752 1.00 0.00 O ATOM 728 CB ASP A 47 -17.440 29.499 -35.089 1.00 0.00 C ATOM 729 CG ASP A 47 -17.708 30.518 -36.212 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.343 31.707 -36.048 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.241 30.124 -37.277 1.00 0.00 O ATOM 0 H ASP A 47 -17.212 28.103 -33.131 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.193 30.726 -33.459 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.394 29.562 -34.790 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.602 28.492 -35.472 1.00 0.00 H new ATOM 736 N ASP A 48 -20.495 28.524 -33.929 1.00 0.00 N ATOM 737 CA ASP A 48 -21.948 28.345 -34.087 1.00 0.00 C ATOM 738 C ASP A 48 -22.778 29.078 -33.002 1.00 0.00 C ATOM 739 O ASP A 48 -23.997 29.210 -33.130 1.00 0.00 O ATOM 740 CB ASP A 48 -22.247 26.840 -34.101 1.00 0.00 C ATOM 741 CG ASP A 48 -23.674 26.520 -34.583 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.013 26.859 -35.743 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.446 25.885 -33.825 1.00 0.00 O ATOM 0 H ASP A 48 -20.029 27.695 -33.560 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.251 28.801 -35.029 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.528 26.337 -34.748 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.108 26.437 -33.098 1.00 0.00 H new ATOM 748 N ALA A 49 -22.119 29.570 -31.948 1.00 0.00 N ATOM 749 CA ALA A 49 -22.696 30.302 -30.817 1.00 0.00 C ATOM 750 C ALA A 49 -22.157 31.747 -30.712 1.00 0.00 C ATOM 751 O ALA A 49 -21.101 32.077 -31.254 1.00 0.00 O ATOM 752 CB ALA A 49 -22.413 29.505 -29.538 1.00 0.00 C ATOM 0 H ALA A 49 -21.109 29.461 -31.857 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.771 30.400 -30.968 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.834 30.031 -28.681 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.868 28.517 -29.617 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.336 29.399 -29.406 1.00 0.00 H new ATOM 758 N GLU A 50 -22.866 32.606 -29.973 1.00 0.00 N ATOM 759 CA GLU A 50 -22.459 33.989 -29.669 1.00 0.00 C ATOM 760 C GLU A 50 -22.604 34.298 -28.174 1.00 0.00 C ATOM 761 O GLU A 50 -23.588 33.917 -27.543 1.00 0.00 O ATOM 762 CB GLU A 50 -23.270 35.001 -30.495 1.00 0.00 C ATOM 763 CG GLU A 50 -22.808 35.051 -31.954 1.00 0.00 C ATOM 764 CD GLU A 50 -23.675 36.021 -32.779 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.350 37.233 -32.840 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.690 35.583 -33.376 1.00 0.00 O ATOM 0 H GLU A 50 -23.763 32.356 -29.557 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.407 34.081 -29.940 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.327 34.735 -30.458 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.175 35.992 -30.050 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.765 35.364 -31.998 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.859 34.053 -32.389 1.00 0.00 H new ATOM 773 N ILE A 51 -21.617 35.013 -27.629 1.00 0.00 N ATOM 774 CA ILE A 51 -21.428 35.346 -26.211 1.00 0.00 C ATOM 775 C ILE A 51 -22.640 36.100 -25.632 1.00 0.00 C ATOM 776 O ILE A 51 -22.878 37.262 -25.988 1.00 0.00 O ATOM 777 CB ILE A 51 -20.148 36.181 -25.977 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.925 35.747 -26.823 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.776 36.167 -24.486 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.390 34.337 -26.560 1.00 0.00 C ATOM 0 H ILE A 51 -20.874 35.404 -28.208 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.324 34.394 -25.691 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.396 37.189 -26.309 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.193 35.821 -27.877 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.118 36.458 -26.649 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.873 36.758 -24.331 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.593 36.593 -23.903 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.598 35.141 -24.165 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.535 34.145 -27.209 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.080 34.254 -25.518 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.173 33.607 -26.765 1.00 0.00 H new ATOM 792 N PRO A 52 -23.418 35.466 -24.743 1.00 0.00 N ATOM 793 CA PRO A 52 -24.440 36.135 -23.953 1.00 0.00 C ATOM 794 C PRO A 52 -23.809 37.055 -22.890 1.00 0.00 C ATOM 795 O PRO A 52 -22.698 36.824 -22.416 1.00 0.00 O ATOM 796 CB PRO A 52 -25.258 34.999 -23.338 1.00 0.00 C ATOM 797 CG PRO A 52 -24.260 33.849 -23.213 1.00 0.00 C ATOM 798 CD PRO A 52 -23.259 34.085 -24.334 1.00 0.00 C ATOM 0 HA PRO A 52 -25.069 36.795 -24.551 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.665 35.281 -22.367 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.103 34.727 -23.971 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.772 33.852 -22.239 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.753 32.883 -23.319 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.241 33.896 -23.992 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.445 33.409 -25.169 1.00 0.00 H new ATOM 806 N GLY A 53 -24.535 38.101 -22.488 1.00 0.00 N ATOM 807 CA GLY A 53 -24.136 39.046 -21.431 1.00 0.00 C ATOM 808 C GLY A 53 -23.676 38.399 -20.111 1.00 0.00 C ATOM 809 O GLY A 53 -22.823 38.956 -19.416 1.00 0.00 O ATOM 0 H GLY A 53 -25.442 38.324 -22.897 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.328 39.671 -21.811 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.977 39.706 -21.220 1.00 0.00 H new ATOM 813 N THR A 54 -24.201 37.217 -19.766 1.00 0.00 N ATOM 814 CA THR A 54 -23.768 36.430 -18.602 1.00 0.00 C ATOM 815 C THR A 54 -23.767 34.913 -18.863 1.00 0.00 C ATOM 816 O THR A 54 -24.432 34.428 -19.783 1.00 0.00 O ATOM 817 CB THR A 54 -24.693 36.681 -17.389 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.026 36.314 -17.692 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.783 38.145 -16.968 1.00 0.00 C ATOM 0 H THR A 54 -24.951 36.772 -20.296 1.00 0.00 H new ATOM 0 HA THR A 54 -22.749 36.759 -18.400 1.00 0.00 H new ATOM 0 HB THR A 54 -24.248 36.087 -16.591 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.596 36.478 -16.912 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.451 38.237 -16.111 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.792 38.507 -16.696 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.171 38.738 -17.796 1.00 0.00 H new ATOM 827 N TRP A 55 -23.023 34.154 -18.047 1.00 0.00 N ATOM 828 CA TRP A 55 -22.864 32.694 -18.153 1.00 0.00 C ATOM 829 C TRP A 55 -22.441 32.055 -16.817 1.00 0.00 C ATOM 830 O TRP A 55 -21.740 32.676 -16.018 1.00 0.00 O ATOM 831 CB TRP A 55 -21.833 32.372 -19.239 1.00 0.00 C ATOM 832 CG TRP A 55 -21.803 30.943 -19.691 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.004 29.980 -19.190 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.589 30.293 -20.737 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.186 28.804 -19.887 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.163 28.934 -20.851 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.607 30.721 -21.613 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.709 28.053 -21.798 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.172 29.844 -22.560 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.722 28.514 -22.658 1.00 0.00 C ATOM 0 H TRP A 55 -22.497 34.551 -17.268 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.833 32.271 -18.419 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.031 33.005 -20.104 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.844 32.639 -18.868 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.321 30.110 -18.364 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.663 27.946 -19.711 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.960 31.740 -21.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.356 27.035 -21.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.956 30.195 -23.215 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.153 27.849 -23.392 1.00 0.00 H new ATOM 851 N LEU A 56 -22.859 30.816 -16.544 1.00 0.00 N ATOM 852 CA LEU A 56 -22.533 30.100 -15.302 1.00 0.00 C ATOM 853 C LEU A 56 -21.041 29.707 -15.240 1.00 0.00 C ATOM 854 O LEU A 56 -20.519 29.056 -16.148 1.00 0.00 O ATOM 855 CB LEU A 56 -23.460 28.874 -15.164 1.00 0.00 C ATOM 856 CG LEU A 56 -24.115 28.733 -13.780 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.181 27.638 -13.813 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.102 28.363 -12.700 1.00 0.00 C ATOM 0 H LEU A 56 -23.439 30.274 -17.184 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.703 30.765 -14.455 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.243 28.938 -15.920 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.885 27.972 -15.375 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.553 29.702 -13.541 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.639 27.546 -12.828 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.945 27.896 -14.546 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.720 26.690 -14.089 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.610 28.274 -11.740 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.633 27.412 -12.952 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.339 29.138 -12.636 1.00 0.00 H new ATOM 870 N CYS A 57 -20.360 30.077 -14.155 1.00 0.00 N ATOM 871 CA CYS A 57 -18.937 29.804 -13.934 1.00 0.00 C ATOM 872 C CYS A 57 -18.700 28.498 -13.157 1.00 0.00 C ATOM 873 O CYS A 57 -19.585 28.002 -12.456 1.00 0.00 O ATOM 874 CB CYS A 57 -18.313 30.991 -13.192 1.00 0.00 C ATOM 875 SG CYS A 57 -18.219 32.438 -14.273 1.00 0.00 S ATOM 0 H CYS A 57 -20.792 30.588 -13.385 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.462 29.675 -14.906 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.907 31.228 -12.309 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.315 30.725 -12.843 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.689 33.432 -13.623 1.00 0.00 H new ATOM 881 N ARG A 58 -17.463 27.975 -13.206 1.00 0.00 N ATOM 882 CA ARG A 58 -17.086 26.697 -12.565 1.00 0.00 C ATOM 883 C ARG A 58 -17.118 26.724 -11.028 1.00 0.00 C ATOM 884 O ARG A 58 -17.164 25.666 -10.402 1.00 0.00 O ATOM 885 CB ARG A 58 -15.712 26.211 -13.068 1.00 0.00 C ATOM 886 CG ARG A 58 -15.610 26.096 -14.599 1.00 0.00 C ATOM 887 CD ARG A 58 -14.253 25.535 -15.055 1.00 0.00 C ATOM 888 NE ARG A 58 -14.034 24.141 -14.613 1.00 0.00 N ATOM 889 CZ ARG A 58 -14.459 23.034 -15.198 1.00 0.00 C ATOM 890 NH1 ARG A 58 -15.170 23.050 -16.291 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.176 21.871 -14.687 1.00 0.00 N ATOM 0 H ARG A 58 -16.690 28.427 -13.694 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.857 25.987 -12.865 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.943 26.898 -12.714 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.498 25.238 -12.626 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.409 25.451 -14.966 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.763 27.079 -15.046 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.192 25.581 -16.142 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.454 26.165 -14.664 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.492 24.019 -13.757 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.417 23.939 -16.725 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.479 22.173 -16.711 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.624 21.811 -13.831 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.506 21.020 -15.142 1.00 0.00 H new ATOM 905 N ASN A 59 -17.164 27.915 -10.418 1.00 0.00 N ATOM 906 CA ASN A 59 -17.416 28.097 -8.980 1.00 0.00 C ATOM 907 C ASN A 59 -18.857 27.694 -8.567 1.00 0.00 C ATOM 908 O ASN A 59 -19.145 27.468 -7.391 1.00 0.00 O ATOM 909 CB ASN A 59 -17.131 29.573 -8.654 1.00 0.00 C ATOM 910 CG ASN A 59 -17.325 30.001 -7.206 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.127 29.252 -6.259 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.657 31.254 -6.991 1.00 0.00 N ATOM 0 H ASN A 59 -17.025 28.794 -10.916 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.762 27.438 -8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.102 29.792 -8.939 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.774 30.191 -9.281 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.749 31.601 -6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.823 31.880 -7.779 1.00 0.00 H new ATOM 919 N GLY A 60 -19.769 27.585 -9.538 1.00 0.00 N ATOM 920 CA GLY A 60 -21.195 27.305 -9.341 1.00 0.00 C ATOM 921 C GLY A 60 -22.055 28.566 -9.200 1.00 0.00 C ATOM 922 O GLY A 60 -23.222 28.464 -8.816 1.00 0.00 O ATOM 0 H GLY A 60 -19.524 27.694 -10.522 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.561 26.718 -10.183 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.316 26.691 -8.448 1.00 0.00 H new ATOM 926 N MET A 61 -21.497 29.747 -9.506 1.00 0.00 N ATOM 927 CA MET A 61 -22.193 31.036 -9.485 1.00 0.00 C ATOM 928 C MET A 61 -22.350 31.610 -10.898 1.00 0.00 C ATOM 929 O MET A 61 -21.490 31.422 -11.760 1.00 0.00 O ATOM 930 CB MET A 61 -21.450 31.998 -8.537 1.00 0.00 C ATOM 931 CG MET A 61 -22.253 33.266 -8.203 1.00 0.00 C ATOM 932 SD MET A 61 -23.922 32.976 -7.548 1.00 0.00 S ATOM 933 CE MET A 61 -24.519 34.683 -7.416 1.00 0.00 C ATOM 0 H MET A 61 -20.519 29.830 -9.783 1.00 0.00 H new ATOM 0 HA MET A 61 -23.205 30.896 -9.105 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.212 31.473 -7.612 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.503 32.286 -8.993 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.691 33.851 -7.475 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.335 33.873 -9.105 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.570 34.680 -7.129 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.938 35.214 -6.662 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.408 35.183 -8.378 1.00 0.00 H new ATOM 943 N GLU A 62 -23.440 32.337 -11.138 1.00 0.00 N ATOM 944 CA GLU A 62 -23.671 33.082 -12.379 1.00 0.00 C ATOM 945 C GLU A 62 -22.643 34.216 -12.540 1.00 0.00 C ATOM 946 O GLU A 62 -22.627 35.189 -11.781 1.00 0.00 O ATOM 947 CB GLU A 62 -25.138 33.544 -12.490 1.00 0.00 C ATOM 948 CG GLU A 62 -25.687 34.355 -11.304 1.00 0.00 C ATOM 949 CD GLU A 62 -27.179 34.679 -11.512 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.501 35.738 -12.104 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.046 33.880 -11.078 1.00 0.00 O ATOM 0 H GLU A 62 -24.202 32.428 -10.465 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.512 32.414 -13.226 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.240 34.146 -13.393 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.766 32.663 -12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.557 33.791 -10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.120 35.280 -11.196 1.00 0.00 H new ATOM 958 N GLY A 63 -21.736 34.057 -13.505 1.00 0.00 N ATOM 959 CA GLY A 63 -20.725 35.048 -13.860 1.00 0.00 C ATOM 960 C GLY A 63 -21.232 36.060 -14.889 1.00 0.00 C ATOM 961 O GLY A 63 -22.013 35.717 -15.779 1.00 0.00 O ATOM 0 H GLY A 63 -21.685 33.213 -14.075 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.408 35.577 -12.961 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.847 34.540 -14.258 1.00 0.00 H new ATOM 965 N THR A 64 -20.747 37.301 -14.819 1.00 0.00 N ATOM 966 CA THR A 64 -21.036 38.345 -15.819 1.00 0.00 C ATOM 967 C THR A 64 -19.828 38.629 -16.701 1.00 0.00 C ATOM 968 O THR A 64 -18.703 38.663 -16.209 1.00 0.00 O ATOM 969 CB THR A 64 -21.515 39.645 -15.155 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.660 39.397 -14.365 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.897 40.736 -16.163 1.00 0.00 C ATOM 0 H THR A 64 -20.138 37.618 -14.064 1.00 0.00 H new ATOM 0 HA THR A 64 -21.839 37.961 -16.448 1.00 0.00 H new ATOM 0 HB THR A 64 -20.673 39.995 -14.558 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.955 40.232 -13.946 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.226 41.627 -15.628 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.032 40.982 -16.779 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.705 40.376 -16.800 1.00 0.00 H new ATOM 979 N LEU A 65 -20.063 38.828 -17.999 1.00 0.00 N ATOM 980 CA LEU A 65 -19.049 39.049 -19.031 1.00 0.00 C ATOM 981 C LEU A 65 -18.148 40.272 -18.761 1.00 0.00 C ATOM 982 O LEU A 65 -18.638 41.400 -18.660 1.00 0.00 O ATOM 983 CB LEU A 65 -19.808 39.167 -20.368 1.00 0.00 C ATOM 984 CG LEU A 65 -18.933 39.170 -21.631 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.290 37.826 -21.890 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.783 39.545 -22.846 1.00 0.00 C ATOM 0 H LEU A 65 -21.010 38.840 -18.377 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.350 38.213 -19.046 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.514 38.339 -20.439 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.395 40.086 -20.352 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.141 39.901 -21.468 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.683 37.881 -22.793 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.658 37.556 -21.044 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.065 37.071 -22.020 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.159 39.546 -23.740 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.587 38.819 -22.966 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.209 40.538 -22.700 1.00 0.00 H new