USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 267 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= 0.959 K(o=0.9,f=-0.0051) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0548 X(o=0.9,f=0.99) USER MOD Single : A 29 GLN : amide:sc= 0.68 K(o=0.68,f=0.0016) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.524 USER MOD Single : A 35 THR OG1 : rot -67:sc= 0.228 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.4 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.383 31.160 -29.591 1.00 0.00 N ATOM 438 CA GLN A 29 -14.337 32.455 -28.910 1.00 0.00 C ATOM 439 C GLN A 29 -14.225 32.218 -27.401 1.00 0.00 C ATOM 440 O GLN A 29 -15.174 31.788 -26.750 1.00 0.00 O ATOM 441 CB GLN A 29 -15.611 33.273 -29.192 1.00 0.00 C ATOM 442 CG GLN A 29 -15.931 33.492 -30.681 1.00 0.00 C ATOM 443 CD GLN A 29 -17.326 32.989 -31.029 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.174 33.706 -31.542 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.594 31.733 -30.747 1.00 0.00 N ATOM 0 HA GLN A 29 -13.476 33.012 -29.279 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.458 32.770 -28.725 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.513 34.246 -28.711 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.855 34.553 -30.919 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.193 32.975 -31.293 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.880 31.143 -30.319 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.515 31.349 -30.956 1.00 0.00 H new ATOM 454 N ILE A 30 -13.059 32.489 -26.837 1.00 0.00 N ATOM 455 CA ILE A 30 -12.820 32.407 -25.391 1.00 0.00 C ATOM 456 C ILE A 30 -13.248 33.734 -24.749 1.00 0.00 C ATOM 457 O ILE A 30 -12.562 34.749 -24.892 1.00 0.00 O ATOM 458 CB ILE A 30 -11.347 32.068 -25.060 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.733 30.967 -25.955 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.244 31.693 -23.569 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.493 29.640 -25.989 1.00 0.00 C ATOM 0 H ILE A 30 -12.238 32.776 -27.370 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.414 31.591 -24.980 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.756 32.959 -25.272 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.661 31.350 -26.973 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.716 30.773 -25.615 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.209 31.452 -23.325 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.574 32.534 -22.959 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.875 30.828 -23.367 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.976 28.941 -26.646 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.543 29.223 -24.983 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.503 29.809 -26.362 1.00 0.00 H new ATOM 473 N ALA A 31 -14.376 33.729 -24.042 1.00 0.00 N ATOM 474 CA ALA A 31 -14.816 34.835 -23.192 1.00 0.00 C ATOM 475 C ALA A 31 -14.433 34.595 -21.721 1.00 0.00 C ATOM 476 O ALA A 31 -14.031 33.496 -21.333 1.00 0.00 O ATOM 477 CB ALA A 31 -16.324 35.026 -23.382 1.00 0.00 C ATOM 0 H ALA A 31 -15.023 32.941 -24.043 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.309 35.754 -23.485 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.669 35.848 -22.754 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.533 35.255 -24.427 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.845 34.111 -23.100 1.00 0.00 H new ATOM 483 N ARG A 32 -14.574 35.627 -20.885 1.00 0.00 N ATOM 484 CA ARG A 32 -14.402 35.562 -19.425 1.00 0.00 C ATOM 485 C ARG A 32 -15.638 36.091 -18.712 1.00 0.00 C ATOM 486 O ARG A 32 -16.327 36.966 -19.235 1.00 0.00 O ATOM 487 CB ARG A 32 -13.132 36.323 -19.004 1.00 0.00 C ATOM 488 CG ARG A 32 -11.908 35.399 -19.060 1.00 0.00 C ATOM 489 CD ARG A 32 -10.571 36.149 -18.966 1.00 0.00 C ATOM 490 NE ARG A 32 -10.036 36.185 -17.590 1.00 0.00 N ATOM 491 CZ ARG A 32 -10.323 37.035 -16.623 1.00 0.00 C ATOM 492 NH1 ARG A 32 -11.144 38.032 -16.757 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.788 36.921 -15.448 1.00 0.00 N ATOM 0 H ARG A 32 -14.819 36.562 -21.212 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.280 34.520 -19.131 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.979 37.179 -19.661 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.254 36.714 -17.994 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.969 34.678 -18.245 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.933 34.832 -19.990 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.844 35.671 -19.622 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.704 37.169 -19.327 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.358 35.460 -17.358 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.609 38.193 -17.650 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.324 38.654 -15.969 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.132 36.164 -15.258 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.023 37.589 -14.714 1.00 0.00 H new ATOM 507 N TYR A 33 -15.876 35.589 -17.502 1.00 0.00 N ATOM 508 CA TYR A 33 -16.988 36.003 -16.642 1.00 0.00 C ATOM 509 C TYR A 33 -16.588 36.060 -15.157 1.00 0.00 C ATOM 510 O TYR A 33 -15.809 35.234 -14.684 1.00 0.00 O ATOM 511 CB TYR A 33 -18.185 35.067 -16.826 1.00 0.00 C ATOM 512 CG TYR A 33 -18.778 34.998 -18.214 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.181 34.204 -19.212 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.958 35.703 -18.494 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.784 34.101 -20.479 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.556 35.611 -19.760 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.992 34.778 -20.740 1.00 0.00 C ATOM 518 OH TYR A 33 -20.654 34.592 -21.905 1.00 0.00 O ATOM 0 H TYR A 33 -15.290 34.868 -17.081 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.267 37.012 -16.946 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.880 34.062 -16.534 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.969 35.376 -16.135 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.262 33.675 -19.005 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.409 36.320 -17.731 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.321 33.504 -21.251 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.448 36.179 -19.980 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.312 35.309 -22.026 1.00 0.00 H new ATOM 528 N ARG A 34 -17.133 37.042 -14.428 1.00 0.00 N ATOM 529 CA ARG A 34 -16.868 37.356 -13.014 1.00 0.00 C ATOM 530 C ARG A 34 -18.078 37.020 -12.147 1.00 0.00 C ATOM 531 O ARG A 34 -19.170 37.526 -12.399 1.00 0.00 O ATOM 532 CB ARG A 34 -16.503 38.847 -12.909 1.00 0.00 C ATOM 533 CG ARG A 34 -16.098 39.266 -11.488 1.00 0.00 C ATOM 534 CD ARG A 34 -15.636 40.726 -11.493 1.00 0.00 C ATOM 535 NE ARG A 34 -15.349 41.219 -10.132 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.172 41.335 -9.539 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.046 41.001 -10.101 1.00 0.00 N ATOM 538 NH2 ARG A 34 -14.106 41.803 -8.325 1.00 0.00 N ATOM 0 H ARG A 34 -17.816 37.681 -14.835 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.038 36.752 -12.649 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.683 39.064 -13.594 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.354 39.447 -13.230 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.941 39.143 -10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.298 38.622 -11.123 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.742 40.821 -12.109 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.406 41.348 -11.949 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.158 41.506 -9.580 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.041 40.627 -11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.169 41.114 -9.592 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.959 42.078 -7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.202 41.895 -7.862 1.00 0.00 H new ATOM 552 N THR A 35 -17.884 36.183 -11.133 1.00 0.00 N ATOM 553 CA THR A 35 -18.938 35.700 -10.223 1.00 0.00 C ATOM 554 C THR A 35 -19.264 36.728 -9.140 1.00 0.00 C ATOM 555 O THR A 35 -18.625 37.779 -9.031 1.00 0.00 O ATOM 556 CB THR A 35 -18.565 34.382 -9.541 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.435 34.568 -8.743 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.302 33.251 -10.516 1.00 0.00 C ATOM 0 H THR A 35 -16.964 35.806 -10.908 1.00 0.00 H new ATOM 0 HA THR A 35 -19.813 35.537 -10.853 1.00 0.00 H new ATOM 0 HB THR A 35 -19.426 34.092 -8.939 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.660 34.758 -9.312 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.043 32.347 -9.964 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.197 33.069 -11.112 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.477 33.523 -11.174 1.00 0.00 H new ATOM 566 N ASP A 36 -20.225 36.404 -8.275 1.00 0.00 N ATOM 567 CA ASP A 36 -20.662 37.300 -7.207 1.00 0.00 C ATOM 568 C ASP A 36 -19.644 37.452 -6.060 1.00 0.00 C ATOM 569 O ASP A 36 -19.717 38.434 -5.318 1.00 0.00 O ATOM 570 CB ASP A 36 -22.041 36.842 -6.708 1.00 0.00 C ATOM 571 CG ASP A 36 -22.705 37.871 -5.776 1.00 0.00 C ATOM 572 OD1 ASP A 36 -23.039 38.987 -6.244 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.935 37.557 -4.582 1.00 0.00 O ATOM 0 H ASP A 36 -20.722 35.513 -8.296 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.739 38.304 -7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.691 36.660 -7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.936 35.894 -6.180 1.00 0.00 H new ATOM 578 N ASN A 37 -18.646 36.556 -5.947 1.00 0.00 N ATOM 579 CA ASN A 37 -17.531 36.755 -5.005 1.00 0.00 C ATOM 580 C ASN A 37 -16.331 37.497 -5.645 1.00 0.00 C ATOM 581 O ASN A 37 -15.284 37.648 -5.012 1.00 0.00 O ATOM 582 CB ASN A 37 -17.092 35.435 -4.358 1.00 0.00 C ATOM 583 CG ASN A 37 -18.192 34.452 -4.000 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.265 34.789 -3.517 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.922 33.187 -4.208 1.00 0.00 N ATOM 0 H ASN A 37 -18.589 35.695 -6.491 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.912 37.402 -4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.399 34.938 -5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.536 35.669 -3.450 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.609 32.473 -3.967 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.025 32.917 -4.611 1.00 0.00 H new ATOM 592 N GLY A 38 -16.448 37.910 -6.915 1.00 0.00 N ATOM 593 CA GLY A 38 -15.345 38.407 -7.747 1.00 0.00 C ATOM 594 C GLY A 38 -14.470 37.320 -8.368 1.00 0.00 C ATOM 595 O GLY A 38 -13.415 37.637 -8.919 1.00 0.00 O ATOM 0 H GLY A 38 -17.342 37.907 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.760 39.021 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.715 39.058 -7.140 1.00 0.00 H new ATOM 599 N GLU A 39 -14.866 36.049 -8.276 1.00 0.00 N ATOM 600 CA GLU A 39 -14.089 34.939 -8.846 1.00 0.00 C ATOM 601 C GLU A 39 -14.263 34.956 -10.370 1.00 0.00 C ATOM 602 O GLU A 39 -15.385 34.850 -10.861 1.00 0.00 O ATOM 603 CB GLU A 39 -14.510 33.576 -8.257 1.00 0.00 C ATOM 604 CG GLU A 39 -14.875 33.636 -6.766 1.00 0.00 C ATOM 605 CD GLU A 39 -14.616 32.359 -5.947 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.621 31.632 -6.183 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.409 32.121 -5.003 1.00 0.00 O ATOM 0 H GLU A 39 -15.725 35.758 -7.810 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.038 35.073 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.365 33.196 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.697 32.863 -8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.317 34.454 -6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.932 33.887 -6.683 1.00 0.00 H new ATOM 614 N GLU A 40 -13.177 35.104 -11.124 1.00 0.00 N ATOM 615 CA GLU A 40 -13.214 35.187 -12.592 1.00 0.00 C ATOM 616 C GLU A 40 -12.789 33.868 -13.257 1.00 0.00 C ATOM 617 O GLU A 40 -11.737 33.305 -12.940 1.00 0.00 O ATOM 618 CB GLU A 40 -12.342 36.349 -13.093 1.00 0.00 C ATOM 619 CG GLU A 40 -13.003 37.699 -12.802 1.00 0.00 C ATOM 620 CD GLU A 40 -12.150 38.918 -13.189 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.288 38.816 -14.096 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.366 39.999 -12.591 1.00 0.00 O ATOM 0 H GLU A 40 -12.236 35.171 -10.736 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.249 35.376 -12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.365 36.308 -12.612 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.174 36.246 -14.165 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.951 37.749 -13.338 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.234 37.755 -11.738 1.00 0.00 H new ATOM 629 N PHE A 41 -13.607 33.400 -14.204 1.00 0.00 N ATOM 630 CA PHE A 41 -13.412 32.171 -14.982 1.00 0.00 C ATOM 631 C PHE A 41 -13.507 32.434 -16.491 1.00 0.00 C ATOM 632 O PHE A 41 -14.035 33.456 -16.930 1.00 0.00 O ATOM 633 CB PHE A 41 -14.450 31.120 -14.561 1.00 0.00 C ATOM 634 CG PHE A 41 -14.315 30.649 -13.127 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.909 31.363 -12.066 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.567 29.488 -12.847 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.725 30.925 -10.749 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.377 29.061 -11.524 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.948 29.788 -10.469 1.00 0.00 C ATOM 0 H PHE A 41 -14.464 33.890 -14.462 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.409 31.797 -14.776 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.448 31.535 -14.702 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.367 30.258 -15.223 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.502 32.242 -12.268 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.136 28.921 -13.659 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.186 31.468 -9.937 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.793 28.176 -11.319 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.791 29.476 -9.447 1.00 0.00 H new ATOM 649 N GLU A 42 -13.027 31.484 -17.291 1.00 0.00 N ATOM 650 CA GLU A 42 -13.017 31.536 -18.755 1.00 0.00 C ATOM 651 C GLU A 42 -14.013 30.525 -19.348 1.00 0.00 C ATOM 652 O GLU A 42 -14.085 29.377 -18.902 1.00 0.00 O ATOM 653 CB GLU A 42 -11.609 31.283 -19.329 1.00 0.00 C ATOM 654 CG GLU A 42 -10.452 31.985 -18.597 1.00 0.00 C ATOM 655 CD GLU A 42 -9.748 31.040 -17.599 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.775 30.353 -17.996 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.153 30.982 -16.413 1.00 0.00 O ATOM 0 H GLU A 42 -12.619 30.624 -16.925 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.322 32.543 -19.039 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.421 30.209 -19.321 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.600 31.600 -20.372 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.728 32.349 -19.326 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.834 32.856 -18.065 1.00 0.00 H new ATOM 664 N VAL A 43 -14.761 30.944 -20.373 1.00 0.00 N ATOM 665 CA VAL A 43 -15.750 30.117 -21.089 1.00 0.00 C ATOM 666 C VAL A 43 -15.489 30.137 -22.607 1.00 0.00 C ATOM 667 O VAL A 43 -15.712 31.164 -23.255 1.00 0.00 O ATOM 668 CB VAL A 43 -17.194 30.551 -20.780 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.202 29.584 -21.413 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.489 30.625 -19.277 1.00 0.00 C ATOM 0 H VAL A 43 -14.697 31.893 -20.741 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.633 29.094 -20.731 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.296 31.550 -21.204 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.215 29.911 -21.181 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.064 29.571 -22.494 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.044 28.582 -21.015 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.522 30.936 -19.124 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.335 29.644 -18.827 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.820 31.347 -18.810 1.00 0.00 H new ATOM 680 N PRO A 44 -15.033 29.018 -23.202 1.00 0.00 N ATOM 681 CA PRO A 44 -14.975 28.816 -24.646 1.00 0.00 C ATOM 682 C PRO A 44 -16.374 28.661 -25.266 1.00 0.00 C ATOM 683 O PRO A 44 -17.182 27.837 -24.829 1.00 0.00 O ATOM 684 CB PRO A 44 -14.133 27.554 -24.873 1.00 0.00 C ATOM 685 CG PRO A 44 -13.428 27.300 -23.542 1.00 0.00 C ATOM 686 CD PRO A 44 -14.385 27.910 -22.526 1.00 0.00 C ATOM 0 HA PRO A 44 -14.532 29.685 -25.132 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.760 26.708 -25.155 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.413 27.700 -25.679 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.274 26.236 -23.363 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.447 27.774 -23.508 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.117 27.176 -22.190 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.848 28.253 -21.641 1.00 0.00 H new ATOM 694 N PHE A 45 -16.627 29.425 -26.324 1.00 0.00 N ATOM 695 CA PHE A 45 -17.816 29.346 -27.191 1.00 0.00 C ATOM 696 C PHE A 45 -17.442 28.954 -28.623 1.00 0.00 C ATOM 697 O PHE A 45 -16.467 29.459 -29.169 1.00 0.00 O ATOM 698 CB PHE A 45 -18.545 30.693 -27.205 1.00 0.00 C ATOM 699 CG PHE A 45 -19.361 30.966 -25.958 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.737 31.496 -24.815 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.746 30.706 -25.939 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.491 31.773 -23.667 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.498 30.974 -24.781 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.867 31.506 -23.642 1.00 0.00 C ATOM 0 H PHE A 45 -15.981 30.156 -26.622 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.471 28.575 -26.785 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.812 31.490 -27.328 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.204 30.729 -28.073 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.675 31.690 -24.822 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.231 30.300 -26.815 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.010 32.194 -22.797 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.559 30.772 -24.766 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.441 31.708 -22.750 1.00 0.00 H new ATOM 714 N ALA A 46 -18.241 28.116 -29.274 1.00 0.00 N ATOM 715 CA ALA A 46 -18.005 27.658 -30.646 1.00 0.00 C ATOM 716 C ALA A 46 -18.528 28.666 -31.682 1.00 0.00 C ATOM 717 O ALA A 46 -19.352 29.523 -31.365 1.00 0.00 O ATOM 718 CB ALA A 46 -18.624 26.267 -30.800 1.00 0.00 C ATOM 0 H ALA A 46 -19.087 27.727 -28.859 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.934 27.588 -30.837 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.460 25.906 -31.815 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.159 25.581 -30.092 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.695 26.321 -30.603 1.00 0.00 H new ATOM 724 N ASP A 47 -18.071 28.554 -32.930 1.00 0.00 N ATOM 725 CA ASP A 47 -18.439 29.435 -34.051 1.00 0.00 C ATOM 726 C ASP A 47 -19.950 29.529 -34.323 1.00 0.00 C ATOM 727 O ASP A 47 -20.448 30.525 -34.853 1.00 0.00 O ATOM 728 CB ASP A 47 -17.751 28.923 -35.320 1.00 0.00 C ATOM 729 CG ASP A 47 -18.340 27.617 -35.889 1.00 0.00 C ATOM 730 OD1 ASP A 47 -18.128 26.536 -35.292 1.00 0.00 O ATOM 731 OD2 ASP A 47 -19.003 27.669 -36.954 1.00 0.00 O ATOM 0 H ASP A 47 -17.412 27.825 -33.202 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.113 30.437 -33.770 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -17.810 29.696 -36.086 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.694 28.766 -35.106 1.00 0.00 H new ATOM 736 N ASP A 48 -20.670 28.479 -33.942 1.00 0.00 N ATOM 737 CA ASP A 48 -22.134 28.375 -34.064 1.00 0.00 C ATOM 738 C ASP A 48 -22.914 29.143 -32.975 1.00 0.00 C ATOM 739 O ASP A 48 -24.123 29.362 -33.103 1.00 0.00 O ATOM 740 CB ASP A 48 -22.558 26.904 -34.129 1.00 0.00 C ATOM 741 CG ASP A 48 -22.395 26.147 -32.802 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.322 26.185 -31.957 1.00 0.00 O ATOM 743 OD2 ASP A 48 -21.352 25.478 -32.615 1.00 0.00 O ATOM 0 H ASP A 48 -20.246 27.649 -33.527 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.400 28.867 -35.000 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -23.601 26.851 -34.440 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.970 26.401 -34.897 1.00 0.00 H new ATOM 748 N ALA A 49 -22.211 29.576 -31.929 1.00 0.00 N ATOM 749 CA ALA A 49 -22.715 30.353 -30.795 1.00 0.00 C ATOM 750 C ALA A 49 -22.093 31.766 -30.718 1.00 0.00 C ATOM 751 O ALA A 49 -21.055 32.049 -31.318 1.00 0.00 O ATOM 752 CB ALA A 49 -22.451 29.552 -29.513 1.00 0.00 C ATOM 0 H ALA A 49 -21.213 29.382 -31.845 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.785 30.514 -30.924 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.818 30.111 -28.652 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.967 28.594 -29.570 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.380 29.382 -29.405 1.00 0.00 H new ATOM 758 N GLU A 50 -22.714 32.651 -29.934 1.00 0.00 N ATOM 759 CA GLU A 50 -22.187 33.976 -29.578 1.00 0.00 C ATOM 760 C GLU A 50 -22.382 34.277 -28.081 1.00 0.00 C ATOM 761 O GLU A 50 -23.338 33.802 -27.467 1.00 0.00 O ATOM 762 CB GLU A 50 -22.808 35.057 -30.479 1.00 0.00 C ATOM 763 CG GLU A 50 -24.291 35.342 -30.199 1.00 0.00 C ATOM 764 CD GLU A 50 -24.876 36.304 -31.251 1.00 0.00 C ATOM 765 OE1 GLU A 50 -24.732 37.542 -31.097 1.00 0.00 O ATOM 766 OE2 GLU A 50 -25.492 35.833 -32.239 1.00 0.00 O ATOM 0 H GLU A 50 -23.625 32.462 -29.516 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.111 33.980 -29.753 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.244 35.982 -30.358 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.700 34.752 -31.520 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.852 34.407 -30.204 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.401 35.775 -29.205 1.00 0.00 H new ATOM 773 N ILE A 51 -21.467 35.064 -27.508 1.00 0.00 N ATOM 774 CA ILE A 51 -21.301 35.362 -26.079 1.00 0.00 C ATOM 775 C ILE A 51 -22.521 36.111 -25.517 1.00 0.00 C ATOM 776 O ILE A 51 -22.740 37.283 -25.853 1.00 0.00 O ATOM 777 CB ILE A 51 -20.012 36.182 -25.812 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.800 35.742 -26.667 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.648 36.150 -24.313 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.355 34.288 -26.497 1.00 0.00 C ATOM 0 H ILE A 51 -20.769 35.547 -28.073 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.212 34.404 -25.566 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.243 37.204 -26.114 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.041 35.907 -27.717 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.957 36.390 -26.428 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.741 36.731 -24.146 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.465 36.577 -23.731 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.481 35.119 -24.001 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.500 34.091 -27.143 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.073 34.113 -25.459 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.175 33.623 -26.768 1.00 0.00 H new ATOM 792 N PRO A 52 -23.325 35.464 -24.662 1.00 0.00 N ATOM 793 CA PRO A 52 -24.362 36.123 -23.885 1.00 0.00 C ATOM 794 C PRO A 52 -23.739 36.997 -22.783 1.00 0.00 C ATOM 795 O PRO A 52 -22.668 36.688 -22.253 1.00 0.00 O ATOM 796 CB PRO A 52 -25.210 34.982 -23.323 1.00 0.00 C ATOM 797 CG PRO A 52 -24.224 33.824 -23.186 1.00 0.00 C ATOM 798 CD PRO A 52 -23.191 34.074 -24.278 1.00 0.00 C ATOM 0 HA PRO A 52 -24.971 36.805 -24.479 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.650 35.248 -22.362 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.033 34.729 -23.992 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.763 33.810 -22.199 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.719 32.862 -23.320 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.184 33.868 -23.914 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.362 33.418 -25.131 1.00 0.00 H new ATOM 806 N GLY A 53 -24.433 38.077 -22.414 1.00 0.00 N ATOM 807 CA GLY A 53 -24.025 39.047 -21.382 1.00 0.00 C ATOM 808 C GLY A 53 -23.601 38.432 -20.039 1.00 0.00 C ATOM 809 O GLY A 53 -22.745 38.990 -19.348 1.00 0.00 O ATOM 0 H GLY A 53 -25.330 38.313 -22.839 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.197 39.640 -21.770 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.852 39.734 -21.204 1.00 0.00 H new ATOM 813 N THR A 54 -24.164 37.277 -19.669 1.00 0.00 N ATOM 814 CA THR A 54 -23.740 36.494 -18.502 1.00 0.00 C ATOM 815 C THR A 54 -23.740 34.977 -18.776 1.00 0.00 C ATOM 816 O THR A 54 -24.404 34.504 -19.703 1.00 0.00 O ATOM 817 CB THR A 54 -24.673 36.748 -17.297 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.003 36.378 -17.612 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.780 38.212 -16.878 1.00 0.00 C ATOM 0 H THR A 54 -24.939 36.853 -20.179 1.00 0.00 H new ATOM 0 HA THR A 54 -22.723 36.820 -18.282 1.00 0.00 H new ATOM 0 HB THR A 54 -24.226 36.160 -16.495 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.581 36.543 -16.838 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.454 38.298 -16.026 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.794 38.584 -16.599 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.168 38.801 -17.709 1.00 0.00 H new ATOM 827 N TRP A 55 -22.993 34.205 -17.975 1.00 0.00 N ATOM 828 CA TRP A 55 -22.851 32.743 -18.089 1.00 0.00 C ATOM 829 C TRP A 55 -22.408 32.092 -16.764 1.00 0.00 C ATOM 830 O TRP A 55 -21.667 32.690 -15.982 1.00 0.00 O ATOM 831 CB TRP A 55 -21.837 32.420 -19.191 1.00 0.00 C ATOM 832 CG TRP A 55 -21.791 30.988 -19.618 1.00 0.00 C ATOM 833 CD1 TRP A 55 -20.970 30.047 -19.110 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.579 30.307 -20.641 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.153 28.854 -19.772 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.148 28.949 -20.721 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.604 30.709 -21.521 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.705 28.037 -21.631 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.177 29.803 -22.435 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.729 28.470 -22.492 1.00 0.00 C ATOM 0 H TRP A 55 -22.451 34.593 -17.202 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.829 32.331 -18.339 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.064 33.035 -20.062 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.845 32.711 -18.846 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.271 30.206 -18.302 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.619 28.006 -19.584 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.956 31.730 -21.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.352 27.017 -21.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.965 30.133 -23.096 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.171 27.781 -23.196 1.00 0.00 H new ATOM 851 N LEU A 56 -22.837 30.856 -16.492 1.00 0.00 N ATOM 852 CA LEU A 56 -22.504 30.123 -15.262 1.00 0.00 C ATOM 853 C LEU A 56 -21.018 29.710 -15.227 1.00 0.00 C ATOM 854 O LEU A 56 -20.517 29.046 -16.137 1.00 0.00 O ATOM 855 CB LEU A 56 -23.447 28.911 -15.124 1.00 0.00 C ATOM 856 CG LEU A 56 -24.068 28.757 -13.727 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.171 27.698 -13.756 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.039 28.324 -12.686 1.00 0.00 C ATOM 0 H LEU A 56 -23.434 30.327 -17.128 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.652 30.780 -14.405 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.248 29.001 -15.858 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.893 28.004 -15.366 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.466 29.734 -13.452 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.604 27.597 -12.761 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.946 27.999 -14.461 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.750 26.742 -14.067 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.523 28.228 -11.714 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.611 27.364 -12.975 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.247 29.070 -12.625 1.00 0.00 H new ATOM 870 N CYS A 57 -20.317 30.091 -14.161 1.00 0.00 N ATOM 871 CA CYS A 57 -18.889 29.827 -13.965 1.00 0.00 C ATOM 872 C CYS A 57 -18.625 28.524 -13.197 1.00 0.00 C ATOM 873 O CYS A 57 -19.503 28.000 -12.505 1.00 0.00 O ATOM 874 CB CYS A 57 -18.269 31.024 -13.240 1.00 0.00 C ATOM 875 SG CYS A 57 -18.224 32.447 -14.351 1.00 0.00 S ATOM 0 H CYS A 57 -20.736 30.606 -13.387 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.426 29.695 -14.943 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.850 31.263 -12.349 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.261 30.778 -12.907 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.699 33.463 -13.733 1.00 0.00 H new ATOM 881 N ARG A 58 -17.377 28.032 -13.249 1.00 0.00 N ATOM 882 CA ARG A 58 -16.971 26.755 -12.626 1.00 0.00 C ATOM 883 C ARG A 58 -17.044 26.752 -11.090 1.00 0.00 C ATOM 884 O ARG A 58 -17.079 25.681 -10.484 1.00 0.00 O ATOM 885 CB ARG A 58 -15.564 26.335 -13.097 1.00 0.00 C ATOM 886 CG ARG A 58 -15.407 26.269 -14.627 1.00 0.00 C ATOM 887 CD ARG A 58 -14.011 25.792 -15.053 1.00 0.00 C ATOM 888 NE ARG A 58 -13.755 24.385 -14.682 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.605 23.744 -14.793 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.529 24.284 -15.280 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.475 22.508 -14.416 1.00 0.00 N ATOM 0 H ARG A 58 -16.613 28.510 -13.727 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.704 26.022 -12.964 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.834 27.039 -12.698 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.328 25.358 -12.676 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.159 25.595 -15.038 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.596 27.255 -15.052 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.906 25.904 -16.132 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.257 26.429 -14.591 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.542 23.858 -14.304 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.545 25.252 -15.601 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.668 23.740 -15.341 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.272 22.008 -14.023 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.575 22.037 -14.513 1.00 0.00 H new ATOM 905 N ASN A 59 -17.131 27.930 -10.462 1.00 0.00 N ATOM 906 CA ASN A 59 -17.401 28.084 -9.025 1.00 0.00 C ATOM 907 C ASN A 59 -18.836 27.645 -8.629 1.00 0.00 C ATOM 908 O ASN A 59 -19.128 27.404 -7.456 1.00 0.00 O ATOM 909 CB ASN A 59 -17.152 29.562 -8.679 1.00 0.00 C ATOM 910 CG ASN A 59 -17.369 29.964 -7.228 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.157 29.212 -6.288 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.740 31.205 -7.003 1.00 0.00 N ATOM 0 H ASN A 59 -17.014 28.820 -10.946 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.740 27.429 -8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.126 29.808 -8.952 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.803 30.173 -9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.850 31.539 -6.045 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.917 31.834 -7.786 1.00 0.00 H new ATOM 919 N GLY A 60 -19.740 27.528 -9.606 1.00 0.00 N ATOM 920 CA GLY A 60 -21.168 27.245 -9.410 1.00 0.00 C ATOM 921 C GLY A 60 -22.028 28.505 -9.248 1.00 0.00 C ATOM 922 O GLY A 60 -23.180 28.406 -8.818 1.00 0.00 O ATOM 0 H GLY A 60 -19.491 27.631 -10.590 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.536 26.671 -10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.287 26.618 -8.527 1.00 0.00 H new ATOM 926 N MET A 61 -21.483 29.683 -9.578 1.00 0.00 N ATOM 927 CA MET A 61 -22.158 30.982 -9.523 1.00 0.00 C ATOM 928 C MET A 61 -22.318 31.590 -10.924 1.00 0.00 C ATOM 929 O MET A 61 -21.468 31.408 -11.797 1.00 0.00 O ATOM 930 CB MET A 61 -21.371 31.898 -8.569 1.00 0.00 C ATOM 931 CG MET A 61 -22.090 33.210 -8.224 1.00 0.00 C ATOM 932 SD MET A 61 -23.772 33.065 -7.557 1.00 0.00 S ATOM 933 CE MET A 61 -23.415 32.362 -5.923 1.00 0.00 C ATOM 0 H MET A 61 -20.519 29.758 -9.904 1.00 0.00 H new ATOM 0 HA MET A 61 -23.170 30.860 -9.138 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.167 31.354 -7.646 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.407 32.132 -9.020 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.482 33.751 -7.499 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.133 33.822 -9.125 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.348 32.210 -5.380 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.905 31.406 -6.042 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.777 33.047 -5.364 1.00 0.00 H new ATOM 943 N GLU A 62 -23.400 32.336 -11.142 1.00 0.00 N ATOM 944 CA GLU A 62 -23.648 33.080 -12.383 1.00 0.00 C ATOM 945 C GLU A 62 -22.631 34.222 -12.535 1.00 0.00 C ATOM 946 O GLU A 62 -22.643 35.193 -11.774 1.00 0.00 O ATOM 947 CB GLU A 62 -25.094 33.605 -12.417 1.00 0.00 C ATOM 948 CG GLU A 62 -26.118 32.466 -12.530 1.00 0.00 C ATOM 949 CD GLU A 62 -27.554 33.019 -12.601 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.193 33.209 -11.537 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.061 33.262 -13.724 1.00 0.00 O ATOM 0 H GLU A 62 -24.143 32.444 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.521 32.405 -13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.292 34.182 -11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.213 34.284 -13.261 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.909 31.871 -13.419 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.023 31.800 -11.672 1.00 0.00 H new ATOM 958 N GLY A 63 -21.721 34.082 -13.501 1.00 0.00 N ATOM 959 CA GLY A 63 -20.716 35.085 -13.840 1.00 0.00 C ATOM 960 C GLY A 63 -21.218 36.108 -14.864 1.00 0.00 C ATOM 961 O GLY A 63 -21.994 35.766 -15.758 1.00 0.00 O ATOM 0 H GLY A 63 -21.663 33.246 -14.082 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.410 35.606 -12.933 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.831 34.586 -14.236 1.00 0.00 H new ATOM 965 N THR A 64 -20.729 37.347 -14.796 1.00 0.00 N ATOM 966 CA THR A 64 -21.013 38.407 -15.783 1.00 0.00 C ATOM 967 C THR A 64 -19.798 38.703 -16.654 1.00 0.00 C ATOM 968 O THR A 64 -18.676 38.725 -16.154 1.00 0.00 O ATOM 969 CB THR A 64 -21.489 39.697 -15.098 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.631 39.430 -14.309 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.868 40.803 -16.090 1.00 0.00 C ATOM 0 H THR A 64 -20.113 37.654 -14.043 1.00 0.00 H new ATOM 0 HA THR A 64 -21.814 38.035 -16.423 1.00 0.00 H new ATOM 0 HB THR A 64 -20.649 40.043 -14.495 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.928 40.256 -13.874 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.196 41.687 -15.542 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.002 41.056 -16.702 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.676 40.454 -16.732 1.00 0.00 H new ATOM 979 N LEU A 65 -20.015 38.898 -17.957 1.00 0.00 N ATOM 980 CA LEU A 65 -18.974 39.027 -18.982 1.00 0.00 C ATOM 981 C LEU A 65 -18.034 40.224 -18.704 1.00 0.00 C ATOM 982 O LEU A 65 -18.491 41.369 -18.639 1.00 0.00 O ATOM 983 CB LEU A 65 -19.713 39.100 -20.336 1.00 0.00 C ATOM 984 CG LEU A 65 -18.918 38.928 -21.646 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.845 39.295 -22.808 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.652 39.773 -21.791 1.00 0.00 C ATOM 0 H LEU A 65 -20.956 38.973 -18.343 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.297 38.173 -18.984 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.492 38.338 -20.324 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.214 40.067 -20.383 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.582 37.891 -21.641 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.309 39.183 -23.750 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.713 38.636 -22.803 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.174 40.328 -22.699 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.183 39.563 -22.752 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.912 40.830 -21.737 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.958 39.529 -20.987 1.00 0.00 H new