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 -62:sc= 0.286 USER MOD Set 1.2: A 37 ASN : amide:sc= -0.207 K(o=-1.3,f=0.58) USER MOD Set 1.3: A 59 ASN : amide:sc= -1.39 K(o=-1.3,f=1.1) USER MOD Single : A 29 GLN : amide:sc= 0.93 K(o=0.93,f=0) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.465 USER MOD Single : A 54 THR OG1 : rot 157:sc= 0.451 USER MOD Single : A 57 CYS SG : rot 54:sc= -1.56 USER MOD Single : A 61 MET CE :methyl 175:sc= 0 (180deg=-0.0226) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.258 30.967 -29.423 1.00 0.00 N ATOM 438 CA GLN A 29 -14.206 32.292 -28.791 1.00 0.00 C ATOM 439 C GLN A 29 -14.158 32.137 -27.265 1.00 0.00 C ATOM 440 O GLN A 29 -15.156 31.802 -26.629 1.00 0.00 O ATOM 441 CB GLN A 29 -15.460 33.125 -29.132 1.00 0.00 C ATOM 442 CG GLN A 29 -15.772 33.292 -30.627 1.00 0.00 C ATOM 443 CD GLN A 29 -17.165 32.780 -30.962 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.001 33.477 -31.524 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.435 31.538 -30.636 1.00 0.00 N ATOM 0 HA GLN A 29 -13.316 32.797 -29.165 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.321 32.662 -28.651 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.344 34.116 -28.693 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.693 34.344 -30.902 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.032 32.752 -31.218 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.730 30.969 -30.168 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.350 31.142 -30.850 1.00 0.00 H new ATOM 454 N ILE A 30 -13.005 32.384 -26.658 1.00 0.00 N ATOM 455 CA ILE A 30 -12.848 32.423 -25.206 1.00 0.00 C ATOM 456 C ILE A 30 -13.264 33.809 -24.704 1.00 0.00 C ATOM 457 O ILE A 30 -12.541 34.794 -24.878 1.00 0.00 O ATOM 458 CB ILE A 30 -11.410 32.047 -24.791 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.022 30.589 -25.122 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.250 32.194 -23.265 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.130 30.103 -26.570 1.00 0.00 C ATOM 0 H ILE A 30 -12.139 32.566 -27.165 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.495 31.680 -24.741 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.767 32.722 -25.356 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.991 30.442 -24.802 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.643 29.936 -24.508 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.233 31.927 -22.978 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.450 33.226 -22.976 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.954 31.533 -22.760 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.820 29.059 -26.628 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.162 30.195 -26.909 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.484 30.709 -27.206 1.00 0.00 H new ATOM 473 N ALA A 31 -14.415 33.860 -24.041 1.00 0.00 N ATOM 474 CA ALA A 31 -14.817 34.972 -23.189 1.00 0.00 C ATOM 475 C ALA A 31 -14.497 34.670 -21.715 1.00 0.00 C ATOM 476 O ALA A 31 -14.280 33.519 -21.329 1.00 0.00 O ATOM 477 CB ALA A 31 -16.305 35.255 -23.412 1.00 0.00 C ATOM 0 H ALA A 31 -15.108 33.113 -24.082 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.253 35.867 -23.452 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.616 36.086 -22.779 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.474 35.513 -24.458 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.886 34.368 -23.159 1.00 0.00 H new ATOM 483 N ARG A 32 -14.477 35.705 -20.874 1.00 0.00 N ATOM 484 CA ARG A 32 -14.287 35.608 -19.419 1.00 0.00 C ATOM 485 C ARG A 32 -15.471 36.190 -18.663 1.00 0.00 C ATOM 486 O ARG A 32 -16.115 37.119 -19.145 1.00 0.00 O ATOM 487 CB ARG A 32 -12.965 36.289 -19.036 1.00 0.00 C ATOM 488 CG ARG A 32 -11.809 35.279 -19.058 1.00 0.00 C ATOM 489 CD ARG A 32 -10.509 35.908 -19.556 1.00 0.00 C ATOM 490 NE ARG A 32 -10.538 36.018 -21.029 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.623 35.648 -21.905 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.440 35.230 -21.556 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.904 35.696 -23.174 1.00 0.00 N ATOM 0 H ARG A 32 -14.596 36.666 -21.193 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.232 34.558 -19.133 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.756 37.104 -19.729 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.051 36.729 -18.043 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.658 34.879 -18.055 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.074 34.438 -19.699 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.378 36.894 -19.111 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.658 35.302 -19.244 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.380 36.437 -21.423 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.188 35.178 -20.569 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.765 34.954 -22.270 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.822 36.017 -23.481 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.206 35.413 -23.862 1.00 0.00 H new ATOM 507 N TYR A 33 -15.733 35.654 -17.473 1.00 0.00 N ATOM 508 CA TYR A 33 -16.862 36.037 -16.621 1.00 0.00 C ATOM 509 C TYR A 33 -16.476 36.075 -15.132 1.00 0.00 C ATOM 510 O TYR A 33 -15.760 35.196 -14.652 1.00 0.00 O ATOM 511 CB TYR A 33 -18.033 35.077 -16.834 1.00 0.00 C ATOM 512 CG TYR A 33 -18.623 35.025 -18.226 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.006 34.269 -19.239 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.826 35.699 -18.488 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.612 34.167 -20.504 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.430 35.604 -19.752 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.844 34.806 -20.749 1.00 0.00 C ATOM 518 OH TYR A 33 -20.492 34.639 -21.927 1.00 0.00 O ATOM 0 H TYR A 33 -15.153 34.923 -17.062 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.160 37.045 -16.909 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.703 34.073 -16.566 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.827 35.348 -16.138 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.069 33.768 -19.046 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.289 36.293 -17.714 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.133 33.599 -21.288 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.343 36.143 -19.957 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.197 35.314 -22.011 1.00 0.00 H new ATOM 528 N ARG A 34 -16.970 37.084 -14.401 1.00 0.00 N ATOM 529 CA ARG A 34 -16.729 37.330 -12.963 1.00 0.00 C ATOM 530 C ARG A 34 -17.964 36.990 -12.128 1.00 0.00 C ATOM 531 O ARG A 34 -19.044 37.515 -12.394 1.00 0.00 O ATOM 532 CB ARG A 34 -16.323 38.804 -12.775 1.00 0.00 C ATOM 533 CG ARG A 34 -15.977 39.183 -11.327 1.00 0.00 C ATOM 534 CD ARG A 34 -15.474 40.630 -11.291 1.00 0.00 C ATOM 535 NE ARG A 34 -15.164 41.077 -9.920 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.978 41.138 -9.336 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.870 40.775 -9.916 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.884 41.578 -8.113 1.00 0.00 N ATOM 0 H ARG A 34 -17.580 37.790 -14.813 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.923 36.683 -12.616 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.462 39.016 -13.409 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.138 39.440 -13.120 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.855 39.075 -10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.214 38.510 -10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.582 40.718 -11.911 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.229 41.286 -11.724 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.959 41.375 -9.354 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.887 40.421 -10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.985 40.845 -9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.722 41.873 -7.611 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.973 41.627 -7.657 1.00 0.00 H new ATOM 552 N THR A 35 -17.807 36.139 -11.119 1.00 0.00 N ATOM 553 CA THR A 35 -18.888 35.702 -10.213 1.00 0.00 C ATOM 554 C THR A 35 -19.150 36.723 -9.107 1.00 0.00 C ATOM 555 O THR A 35 -18.442 37.724 -8.971 1.00 0.00 O ATOM 556 CB THR A 35 -18.620 34.339 -9.571 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.469 34.381 -8.782 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.465 33.241 -10.601 1.00 0.00 C ATOM 0 H THR A 35 -16.905 35.718 -10.895 1.00 0.00 H new ATOM 0 HA THR A 35 -19.770 35.614 -10.848 1.00 0.00 H new ATOM 0 HB THR A 35 -19.489 34.113 -8.953 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.694 34.589 -9.345 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.276 32.293 -10.097 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.379 33.163 -11.190 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.628 33.475 -11.259 1.00 0.00 H new ATOM 566 N ASP A 36 -20.139 36.448 -8.257 1.00 0.00 N ATOM 567 CA ASP A 36 -20.531 37.354 -7.179 1.00 0.00 C ATOM 568 C ASP A 36 -19.525 37.405 -6.012 1.00 0.00 C ATOM 569 O ASP A 36 -19.549 38.365 -5.238 1.00 0.00 O ATOM 570 CB ASP A 36 -21.948 36.990 -6.716 1.00 0.00 C ATOM 571 CG ASP A 36 -22.547 38.033 -5.755 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.787 39.187 -6.188 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.823 37.693 -4.579 1.00 0.00 O ATOM 0 H ASP A 36 -20.691 35.591 -8.297 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.528 38.370 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.596 36.891 -7.587 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.926 36.018 -6.223 1.00 0.00 H new ATOM 578 N ASN A 37 -18.586 36.446 -5.915 1.00 0.00 N ATOM 579 CA ASN A 37 -17.470 36.558 -4.959 1.00 0.00 C ATOM 580 C ASN A 37 -16.244 37.293 -5.560 1.00 0.00 C ATOM 581 O ASN A 37 -15.205 37.405 -4.906 1.00 0.00 O ATOM 582 CB ASN A 37 -17.066 35.193 -4.391 1.00 0.00 C ATOM 583 CG ASN A 37 -18.179 34.214 -4.070 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.270 34.548 -3.629 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.896 32.947 -4.262 1.00 0.00 N ATOM 0 H ASN A 37 -18.577 35.596 -6.479 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.838 37.168 -4.134 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.394 34.717 -5.105 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.494 35.364 -3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.589 32.231 -4.043 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.983 32.678 -4.630 1.00 0.00 H new ATOM 592 N GLY A 38 -16.332 37.737 -6.820 1.00 0.00 N ATOM 593 CA GLY A 38 -15.209 38.222 -7.631 1.00 0.00 C ATOM 594 C GLY A 38 -14.388 37.128 -8.313 1.00 0.00 C ATOM 595 O GLY A 38 -13.341 37.429 -8.885 1.00 0.00 O ATOM 0 H GLY A 38 -17.220 37.769 -7.321 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.596 38.895 -8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.547 38.809 -6.995 1.00 0.00 H new ATOM 599 N GLU A 39 -14.821 35.865 -8.250 1.00 0.00 N ATOM 600 CA GLU A 39 -14.075 34.750 -8.849 1.00 0.00 C ATOM 601 C GLU A 39 -14.236 34.801 -10.373 1.00 0.00 C ATOM 602 O GLU A 39 -15.356 34.729 -10.880 1.00 0.00 O ATOM 603 CB GLU A 39 -14.523 33.382 -8.301 1.00 0.00 C ATOM 604 CG GLU A 39 -14.915 33.401 -6.819 1.00 0.00 C ATOM 605 CD GLU A 39 -14.691 32.101 -6.022 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.905 31.213 -6.432 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.305 31.995 -4.932 1.00 0.00 O ATOM 0 H GLU A 39 -15.687 35.587 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.024 34.862 -8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.372 33.028 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.716 32.663 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.356 34.199 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.971 33.663 -6.751 1.00 0.00 H new ATOM 614 N GLU A 40 -13.135 34.932 -11.107 1.00 0.00 N ATOM 615 CA GLU A 40 -13.138 35.045 -12.573 1.00 0.00 C ATOM 616 C GLU A 40 -12.739 33.727 -13.252 1.00 0.00 C ATOM 617 O GLU A 40 -11.715 33.119 -12.922 1.00 0.00 O ATOM 618 CB GLU A 40 -12.217 36.189 -13.026 1.00 0.00 C ATOM 619 CG GLU A 40 -12.926 37.538 -12.883 1.00 0.00 C ATOM 620 CD GLU A 40 -12.005 38.753 -13.101 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.067 38.696 -13.933 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.238 39.791 -12.434 1.00 0.00 O ATOM 0 H GLU A 40 -12.200 34.964 -10.701 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.159 35.271 -12.881 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.304 36.186 -12.430 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.921 36.036 -14.064 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.747 37.584 -13.599 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.367 37.602 -11.888 1.00 0.00 H new ATOM 629 N PHE A 41 -13.554 33.310 -14.224 1.00 0.00 N ATOM 630 CA PHE A 41 -13.400 32.084 -15.016 1.00 0.00 C ATOM 631 C PHE A 41 -13.453 32.372 -16.523 1.00 0.00 C ATOM 632 O PHE A 41 -13.915 33.430 -16.955 1.00 0.00 O ATOM 633 CB PHE A 41 -14.486 31.074 -14.617 1.00 0.00 C ATOM 634 CG PHE A 41 -14.386 30.587 -13.183 1.00 0.00 C ATOM 635 CD1 PHE A 41 -15.004 31.291 -12.131 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.648 29.422 -12.895 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.866 30.831 -10.817 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.489 28.984 -11.568 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.100 29.692 -10.524 1.00 0.00 C ATOM 0 H PHE A 41 -14.380 33.843 -14.494 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.418 31.660 -14.805 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.464 31.531 -14.766 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.431 30.215 -15.285 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.581 32.180 -12.338 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.200 28.860 -13.701 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.357 31.361 -10.015 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.898 28.105 -11.354 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.982 29.364 -9.502 1.00 0.00 H new ATOM 649 N GLU A 42 -13.007 31.410 -17.332 1.00 0.00 N ATOM 650 CA GLU A 42 -12.976 31.486 -18.792 1.00 0.00 C ATOM 651 C GLU A 42 -13.959 30.477 -19.397 1.00 0.00 C ATOM 652 O GLU A 42 -13.989 29.309 -18.994 1.00 0.00 O ATOM 653 CB GLU A 42 -11.560 31.250 -19.352 1.00 0.00 C ATOM 654 CG GLU A 42 -10.408 31.937 -18.600 1.00 0.00 C ATOM 655 CD GLU A 42 -9.718 30.982 -17.603 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.784 30.248 -18.013 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.090 30.961 -16.405 1.00 0.00 O ATOM 0 H GLU A 42 -12.645 30.526 -16.975 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.276 32.495 -19.073 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.370 30.177 -19.362 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.541 31.587 -20.389 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.674 32.304 -19.318 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.792 32.805 -18.064 1.00 0.00 H new ATOM 664 N VAL A 43 -14.746 30.918 -20.377 1.00 0.00 N ATOM 665 CA VAL A 43 -15.745 30.099 -21.084 1.00 0.00 C ATOM 666 C VAL A 43 -15.455 30.087 -22.595 1.00 0.00 C ATOM 667 O VAL A 43 -15.632 31.114 -23.258 1.00 0.00 O ATOM 668 CB VAL A 43 -17.180 30.580 -20.804 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.200 29.620 -21.424 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.481 30.713 -19.305 1.00 0.00 C ATOM 0 H VAL A 43 -14.710 31.880 -20.715 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.667 29.080 -20.705 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.262 31.568 -21.256 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.209 29.977 -21.216 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.047 29.573 -22.502 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.071 28.626 -20.996 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.507 31.055 -19.169 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.355 29.744 -18.821 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.796 31.434 -18.859 1.00 0.00 H new ATOM 680 N PRO A 44 -15.012 28.949 -23.165 1.00 0.00 N ATOM 681 CA PRO A 44 -14.859 28.776 -24.607 1.00 0.00 C ATOM 682 C PRO A 44 -16.214 28.501 -25.292 1.00 0.00 C ATOM 683 O PRO A 44 -16.886 27.506 -25.010 1.00 0.00 O ATOM 684 CB PRO A 44 -13.868 27.619 -24.771 1.00 0.00 C ATOM 685 CG PRO A 44 -14.075 26.773 -23.515 1.00 0.00 C ATOM 686 CD PRO A 44 -14.518 27.778 -22.450 1.00 0.00 C ATOM 0 HA PRO A 44 -14.487 29.679 -25.091 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.070 27.046 -25.676 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.842 27.980 -24.845 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.830 26.003 -23.674 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.157 26.263 -23.223 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.297 27.354 -21.816 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.686 28.044 -21.798 1.00 0.00 H new ATOM 694 N PHE A 45 -16.592 29.372 -26.228 1.00 0.00 N ATOM 695 CA PHE A 45 -17.768 29.263 -27.104 1.00 0.00 C ATOM 696 C PHE A 45 -17.366 28.831 -28.514 1.00 0.00 C ATOM 697 O PHE A 45 -16.356 29.293 -29.031 1.00 0.00 O ATOM 698 CB PHE A 45 -18.479 30.620 -27.171 1.00 0.00 C ATOM 699 CG PHE A 45 -19.272 30.948 -25.925 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.633 31.554 -24.828 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.647 30.646 -25.857 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.368 31.861 -23.674 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.376 30.942 -24.692 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.733 31.546 -23.597 1.00 0.00 C ATOM 0 H PHE A 45 -16.058 30.222 -26.409 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.437 28.508 -26.691 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.738 31.402 -27.337 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.149 30.628 -28.031 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.578 31.782 -24.875 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.141 30.187 -26.701 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.880 32.343 -22.839 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.428 30.706 -24.638 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.289 31.767 -22.698 1.00 0.00 H new ATOM 714 N ALA A 46 -18.176 28.022 -29.189 1.00 0.00 N ATOM 715 CA ALA A 46 -17.936 27.600 -30.571 1.00 0.00 C ATOM 716 C ALA A 46 -18.423 28.657 -31.578 1.00 0.00 C ATOM 717 O ALA A 46 -19.284 29.475 -31.260 1.00 0.00 O ATOM 718 CB ALA A 46 -18.590 26.232 -30.781 1.00 0.00 C ATOM 0 H ALA A 46 -19.030 27.634 -28.789 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.865 27.504 -30.750 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.421 25.902 -31.806 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.154 25.510 -30.091 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.661 26.309 -30.596 1.00 0.00 H new ATOM 724 N ASP A 47 -17.888 28.646 -32.801 1.00 0.00 N ATOM 725 CA ASP A 47 -18.189 29.615 -33.870 1.00 0.00 C ATOM 726 C ASP A 47 -19.681 29.670 -34.266 1.00 0.00 C ATOM 727 O ASP A 47 -20.142 30.674 -34.811 1.00 0.00 O ATOM 728 CB ASP A 47 -17.309 29.261 -35.080 1.00 0.00 C ATOM 729 CG ASP A 47 -17.550 30.156 -36.305 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.167 31.350 -36.253 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.094 29.664 -37.322 1.00 0.00 O ATOM 0 H ASP A 47 -17.210 27.941 -33.089 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.967 30.615 -33.497 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.261 29.334 -34.789 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.491 28.223 -35.359 1.00 0.00 H new ATOM 736 N ASP A 48 -20.452 28.623 -33.952 1.00 0.00 N ATOM 737 CA ASP A 48 -21.909 28.569 -34.165 1.00 0.00 C ATOM 738 C ASP A 48 -22.737 29.215 -33.034 1.00 0.00 C ATOM 739 O ASP A 48 -23.940 29.447 -33.187 1.00 0.00 O ATOM 740 CB ASP A 48 -22.336 27.119 -34.404 1.00 0.00 C ATOM 741 CG ASP A 48 -22.212 26.227 -33.158 1.00 0.00 C ATOM 742 OD1 ASP A 48 -21.110 25.683 -32.921 1.00 0.00 O ATOM 743 OD2 ASP A 48 -23.218 26.052 -32.428 1.00 0.00 O ATOM 0 H ASP A 48 -20.077 27.771 -33.534 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.121 29.172 -35.048 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -23.370 27.106 -34.748 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.728 26.697 -35.204 1.00 0.00 H new ATOM 748 N ALA A 49 -22.084 29.520 -31.913 1.00 0.00 N ATOM 749 CA ALA A 49 -22.636 30.193 -30.737 1.00 0.00 C ATOM 750 C ALA A 49 -22.146 31.651 -30.622 1.00 0.00 C ATOM 751 O ALA A 49 -21.127 32.036 -31.200 1.00 0.00 O ATOM 752 CB ALA A 49 -22.288 29.368 -29.490 1.00 0.00 C ATOM 0 H ALA A 49 -21.097 29.290 -31.794 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.720 30.254 -30.835 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.693 29.858 -28.605 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.718 28.371 -29.582 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.205 29.289 -29.397 1.00 0.00 H new ATOM 758 N GLU A 50 -22.863 32.466 -29.845 1.00 0.00 N ATOM 759 CA GLU A 50 -22.531 33.871 -29.569 1.00 0.00 C ATOM 760 C GLU A 50 -22.609 34.172 -28.065 1.00 0.00 C ATOM 761 O GLU A 50 -23.541 33.732 -27.392 1.00 0.00 O ATOM 762 CB GLU A 50 -23.481 34.810 -30.330 1.00 0.00 C ATOM 763 CG GLU A 50 -23.182 34.868 -31.830 1.00 0.00 C ATOM 764 CD GLU A 50 -24.308 35.596 -32.586 1.00 0.00 C ATOM 765 OE1 GLU A 50 -24.474 36.825 -32.389 1.00 0.00 O ATOM 766 OE2 GLU A 50 -25.033 34.952 -33.383 1.00 0.00 O ATOM 0 H GLU A 50 -23.716 32.161 -29.376 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.509 34.041 -29.908 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.509 34.478 -30.182 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.406 35.813 -29.910 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -22.235 35.382 -31.997 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -23.070 33.857 -32.222 1.00 0.00 H new ATOM 773 N ILE A 51 -21.641 34.944 -27.561 1.00 0.00 N ATOM 774 CA ILE A 51 -21.419 35.307 -26.153 1.00 0.00 C ATOM 775 C ILE A 51 -22.633 36.044 -25.557 1.00 0.00 C ATOM 776 O ILE A 51 -22.901 37.196 -25.922 1.00 0.00 O ATOM 777 CB ILE A 51 -20.153 36.179 -25.967 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.941 35.743 -26.826 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.758 36.234 -24.477 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.395 34.341 -26.547 1.00 0.00 C ATOM 0 H ILE A 51 -20.939 35.364 -28.170 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.275 34.367 -25.621 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.425 37.172 -26.324 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.226 35.799 -27.877 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.136 36.462 -26.676 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.867 36.850 -24.359 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.576 36.665 -23.899 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.552 35.226 -24.118 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.549 34.142 -27.205 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.070 34.277 -25.509 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.177 33.603 -26.728 1.00 0.00 H new ATOM 792 N PRO A 52 -23.372 35.410 -24.638 1.00 0.00 N ATOM 793 CA PRO A 52 -24.377 36.071 -23.822 1.00 0.00 C ATOM 794 C PRO A 52 -23.721 36.959 -22.750 1.00 0.00 C ATOM 795 O PRO A 52 -22.632 36.661 -22.251 1.00 0.00 O ATOM 796 CB PRO A 52 -25.194 34.932 -23.216 1.00 0.00 C ATOM 797 CG PRO A 52 -24.193 33.783 -23.103 1.00 0.00 C ATOM 798 CD PRO A 52 -23.197 34.029 -24.229 1.00 0.00 C ATOM 0 HA PRO A 52 -25.009 36.747 -24.399 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.600 35.206 -22.242 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.039 34.665 -23.850 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.700 33.781 -22.131 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.685 32.816 -23.213 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.176 33.851 -23.890 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.379 33.351 -25.063 1.00 0.00 H new ATOM 806 N GLY A 53 -24.408 38.042 -22.372 1.00 0.00 N ATOM 807 CA GLY A 53 -23.987 39.011 -21.345 1.00 0.00 C ATOM 808 C GLY A 53 -23.548 38.397 -20.007 1.00 0.00 C ATOM 809 O GLY A 53 -22.685 38.954 -19.325 1.00 0.00 O ATOM 0 H GLY A 53 -25.309 38.280 -22.787 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.162 39.603 -21.743 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.812 39.699 -21.158 1.00 0.00 H new ATOM 813 N THR A 54 -24.107 37.243 -19.630 1.00 0.00 N ATOM 814 CA THR A 54 -23.655 36.455 -18.477 1.00 0.00 C ATOM 815 C THR A 54 -23.664 34.942 -18.755 1.00 0.00 C ATOM 816 O THR A 54 -24.337 34.475 -19.678 1.00 0.00 O ATOM 817 CB THR A 54 -24.555 36.699 -17.245 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.893 36.332 -17.515 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.652 38.161 -16.815 1.00 0.00 C ATOM 0 H THR A 54 -24.896 36.824 -20.122 1.00 0.00 H new ATOM 0 HA THR A 54 -22.634 36.784 -18.285 1.00 0.00 H new ATOM 0 HB THR A 54 -24.083 36.103 -16.464 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.354 36.133 -16.673 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.303 38.242 -15.944 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.659 38.532 -16.562 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.064 38.754 -17.632 1.00 0.00 H new ATOM 827 N TRP A 55 -22.920 34.164 -17.957 1.00 0.00 N ATOM 828 CA TRP A 55 -22.787 32.705 -18.091 1.00 0.00 C ATOM 829 C TRP A 55 -22.398 32.023 -16.764 1.00 0.00 C ATOM 830 O TRP A 55 -21.655 32.588 -15.961 1.00 0.00 O ATOM 831 CB TRP A 55 -21.734 32.402 -19.163 1.00 0.00 C ATOM 832 CG TRP A 55 -21.680 30.971 -19.600 1.00 0.00 C ATOM 833 CD1 TRP A 55 -20.866 30.029 -19.082 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.463 30.286 -20.626 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.038 28.836 -19.748 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.023 28.930 -20.707 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.493 30.677 -21.505 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.567 28.016 -21.624 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.054 29.769 -22.424 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.591 28.442 -22.487 1.00 0.00 C ATOM 0 H TRP A 55 -22.379 34.541 -17.179 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.758 32.303 -18.380 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -21.932 33.027 -20.034 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.754 32.688 -18.781 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.179 30.187 -18.264 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.503 27.989 -19.556 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.859 31.693 -21.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.203 27.000 -21.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.845 30.093 -23.084 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.022 27.752 -23.197 1.00 0.00 H new ATOM 851 N LEU A 56 -22.866 30.794 -16.515 1.00 0.00 N ATOM 852 CA LEU A 56 -22.570 30.045 -15.287 1.00 0.00 C ATOM 853 C LEU A 56 -21.097 29.598 -15.232 1.00 0.00 C ATOM 854 O LEU A 56 -20.600 28.909 -16.124 1.00 0.00 O ATOM 855 CB LEU A 56 -23.542 28.855 -15.159 1.00 0.00 C ATOM 856 CG LEU A 56 -24.180 28.719 -13.766 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.285 27.664 -13.799 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.165 28.291 -12.706 1.00 0.00 C ATOM 0 H LEU A 56 -23.466 30.287 -17.166 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.718 30.703 -14.431 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.333 28.963 -15.901 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.007 27.935 -15.395 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.576 29.701 -13.506 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.732 27.574 -12.809 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.050 27.961 -14.516 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.863 26.704 -14.095 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.662 28.208 -11.739 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.739 27.326 -12.979 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.370 29.034 -12.643 1.00 0.00 H new ATOM 870 N CYS A 57 -20.406 29.985 -14.162 1.00 0.00 N ATOM 871 CA CYS A 57 -18.980 29.730 -13.945 1.00 0.00 C ATOM 872 C CYS A 57 -18.713 28.517 -13.042 1.00 0.00 C ATOM 873 O CYS A 57 -19.591 28.065 -12.302 1.00 0.00 O ATOM 874 CB CYS A 57 -18.352 31.006 -13.380 1.00 0.00 C ATOM 875 SG CYS A 57 -18.321 32.256 -14.683 1.00 0.00 S ATOM 0 H CYS A 57 -20.836 30.502 -13.395 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.521 29.473 -14.900 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.926 31.364 -12.525 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.342 30.805 -13.024 1.00 0.00 H new ATOM 0 HG CYS A 57 -19.516 32.402 -15.173 1.00 0.00 H new ATOM 881 N ARG A 58 -17.469 28.010 -13.056 1.00 0.00 N ATOM 882 CA ARG A 58 -17.075 26.766 -12.358 1.00 0.00 C ATOM 883 C ARG A 58 -17.099 26.862 -10.822 1.00 0.00 C ATOM 884 O ARG A 58 -17.102 25.831 -10.150 1.00 0.00 O ATOM 885 CB ARG A 58 -15.703 26.266 -12.852 1.00 0.00 C ATOM 886 CG ARG A 58 -15.600 26.123 -14.382 1.00 0.00 C ATOM 887 CD ARG A 58 -14.262 25.511 -14.819 1.00 0.00 C ATOM 888 NE ARG A 58 -14.139 24.092 -14.428 1.00 0.00 N ATOM 889 CZ ARG A 58 -13.067 23.327 -14.552 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.952 23.772 -15.062 1.00 0.00 N ATOM 891 NH2 ARG A 58 -13.096 22.084 -14.164 1.00 0.00 N ATOM 0 H ARG A 58 -16.698 28.453 -13.556 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.842 26.036 -12.618 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.932 26.956 -12.510 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.493 25.300 -12.393 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.418 25.499 -14.743 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.718 27.103 -14.845 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.162 25.597 -15.901 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.444 26.079 -14.377 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.966 23.657 -14.020 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.887 24.739 -15.381 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.145 23.153 -15.142 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.949 21.695 -13.762 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.266 21.500 -14.262 1.00 0.00 H new ATOM 905 N ASN A 59 -17.194 28.075 -10.264 1.00 0.00 N ATOM 906 CA ASN A 59 -17.489 28.303 -8.839 1.00 0.00 C ATOM 907 C ASN A 59 -18.929 27.862 -8.450 1.00 0.00 C ATOM 908 O ASN A 59 -19.237 27.651 -7.277 1.00 0.00 O ATOM 909 CB ASN A 59 -17.236 29.794 -8.554 1.00 0.00 C ATOM 910 CG ASN A 59 -17.594 30.314 -7.166 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.505 29.635 -6.155 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.962 31.574 -7.074 1.00 0.00 N ATOM 0 H ASN A 59 -17.067 28.938 -10.793 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.837 27.686 -8.220 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.179 29.995 -8.727 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.795 30.376 -9.286 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -18.171 31.979 -6.161 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.038 32.146 -7.915 1.00 0.00 H new ATOM 919 N GLY A 60 -19.811 27.682 -9.438 1.00 0.00 N ATOM 920 CA GLY A 60 -21.231 27.353 -9.259 1.00 0.00 C ATOM 921 C GLY A 60 -22.141 28.585 -9.162 1.00 0.00 C ATOM 922 O GLY A 60 -23.269 28.476 -8.675 1.00 0.00 O ATOM 0 H GLY A 60 -19.548 27.764 -10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.560 26.734 -10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.345 26.755 -8.355 1.00 0.00 H new ATOM 926 N MET A 61 -21.657 29.752 -9.608 1.00 0.00 N ATOM 927 CA MET A 61 -22.383 31.026 -9.623 1.00 0.00 C ATOM 928 C MET A 61 -22.469 31.595 -11.046 1.00 0.00 C ATOM 929 O MET A 61 -21.570 31.385 -11.863 1.00 0.00 O ATOM 930 CB MET A 61 -21.695 32.008 -8.655 1.00 0.00 C ATOM 931 CG MET A 61 -22.503 33.286 -8.391 1.00 0.00 C ATOM 932 SD MET A 61 -24.214 33.021 -7.839 1.00 0.00 S ATOM 933 CE MET A 61 -24.789 34.737 -7.737 1.00 0.00 C ATOM 0 H MET A 61 -20.712 29.836 -9.983 1.00 0.00 H new ATOM 0 HA MET A 61 -23.408 30.865 -9.289 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.513 31.502 -7.707 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.722 32.282 -9.061 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.982 33.876 -7.637 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.521 33.880 -9.305 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.852 34.751 -7.496 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.234 35.261 -6.959 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.627 35.232 -8.694 1.00 0.00 H new ATOM 943 N GLU A 62 -23.527 32.349 -11.349 1.00 0.00 N ATOM 944 CA GLU A 62 -23.641 33.088 -12.609 1.00 0.00 C ATOM 945 C GLU A 62 -22.587 34.206 -12.669 1.00 0.00 C ATOM 946 O GLU A 62 -22.643 35.184 -11.920 1.00 0.00 O ATOM 947 CB GLU A 62 -25.074 33.607 -12.810 1.00 0.00 C ATOM 948 CG GLU A 62 -25.270 34.140 -14.236 1.00 0.00 C ATOM 949 CD GLU A 62 -26.718 34.612 -14.479 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.654 33.777 -14.426 1.00 0.00 O ATOM 951 OE2 GLU A 62 -26.929 35.821 -14.747 1.00 0.00 O ATOM 0 H GLU A 62 -24.329 32.465 -10.729 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.438 32.413 -13.440 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.786 32.805 -12.617 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.282 34.398 -12.090 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.584 34.968 -14.412 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.017 33.359 -14.953 1.00 0.00 H new ATOM 958 N GLY A 63 -21.598 34.030 -13.544 1.00 0.00 N ATOM 959 CA GLY A 63 -20.578 35.023 -13.854 1.00 0.00 C ATOM 960 C GLY A 63 -21.072 36.057 -14.868 1.00 0.00 C ATOM 961 O GLY A 63 -21.834 35.722 -15.776 1.00 0.00 O ATOM 0 H GLY A 63 -21.484 33.165 -14.072 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.276 35.530 -12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.693 34.523 -14.248 1.00 0.00 H new ATOM 965 N THR A 64 -20.592 37.296 -14.772 1.00 0.00 N ATOM 966 CA THR A 64 -20.893 38.368 -15.735 1.00 0.00 C ATOM 967 C THR A 64 -19.695 38.694 -16.612 1.00 0.00 C ATOM 968 O THR A 64 -18.567 38.766 -16.124 1.00 0.00 O ATOM 969 CB THR A 64 -21.399 39.638 -15.033 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.539 39.337 -14.254 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.795 40.745 -16.017 1.00 0.00 C ATOM 0 H THR A 64 -19.975 37.593 -14.016 1.00 0.00 H new ATOM 0 HA THR A 64 -21.690 37.992 -16.377 1.00 0.00 H new ATOM 0 HB THR A 64 -20.573 39.994 -14.418 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.855 40.151 -13.808 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.144 41.616 -15.463 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.931 41.021 -16.621 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.592 40.385 -16.668 1.00 0.00 H new ATOM 979 N LEU A 65 -19.947 38.888 -17.908 1.00 0.00 N ATOM 980 CA LEU A 65 -18.944 39.135 -18.940 1.00 0.00 C ATOM 981 C LEU A 65 -18.102 40.392 -18.643 1.00 0.00 C ATOM 982 O LEU A 65 -18.633 41.501 -18.541 1.00 0.00 O ATOM 983 CB LEU A 65 -19.697 39.219 -20.284 1.00 0.00 C ATOM 984 CG LEU A 65 -18.814 39.242 -21.543 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.211 37.887 -21.846 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.652 39.666 -22.751 1.00 0.00 C ATOM 0 H LEU A 65 -20.897 38.876 -18.280 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.216 38.324 -18.973 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.375 38.368 -20.353 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.313 40.118 -20.278 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.006 39.949 -21.352 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.596 37.955 -22.744 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.593 37.568 -21.007 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.009 37.161 -22.006 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.024 39.682 -23.642 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.468 38.958 -22.894 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.062 40.661 -22.578 1.00 0.00 H new