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= 0.898 K(o=0.73,f=-0.0064) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.168 X(o=0.73,f=1) USER MOD Single : A 29 GLN : amide:sc= 0.665 K(o=0.67,f=-0.0044) USER MOD Single : A 33 TYR OH : rot -165:sc= 0.443 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.23 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.32 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 -14.208 31.189 -29.490 1.00 0.00 N ATOM 438 CA GLN A 29 -14.182 32.445 -28.734 1.00 0.00 C ATOM 439 C GLN A 29 -14.120 32.115 -27.238 1.00 0.00 C ATOM 440 O GLN A 29 -15.084 31.613 -26.666 1.00 0.00 O ATOM 441 CB GLN A 29 -15.452 33.278 -28.998 1.00 0.00 C ATOM 442 CG GLN A 29 -15.761 33.568 -30.477 1.00 0.00 C ATOM 443 CD GLN A 29 -17.131 33.037 -30.882 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.975 33.744 -31.413 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.381 31.769 -30.641 1.00 0.00 N ATOM 0 HA GLN A 29 -13.312 33.022 -29.048 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.304 32.756 -28.563 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.358 34.228 -28.472 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.721 34.643 -30.653 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.995 33.113 -31.105 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.672 31.185 -30.198 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.284 31.369 -30.897 1.00 0.00 H new ATOM 454 N ILE A 30 -12.997 32.383 -26.587 1.00 0.00 N ATOM 455 CA ILE A 30 -12.840 32.170 -25.140 1.00 0.00 C ATOM 456 C ILE A 30 -13.256 33.449 -24.395 1.00 0.00 C ATOM 457 O ILE A 30 -12.481 34.400 -24.303 1.00 0.00 O ATOM 458 CB ILE A 30 -11.398 31.749 -24.769 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.743 30.729 -25.729 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.426 31.224 -23.321 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.513 29.424 -25.925 1.00 0.00 C ATOM 0 H ILE A 30 -12.163 32.755 -27.041 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.488 31.347 -24.837 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.762 32.629 -24.865 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.612 31.203 -26.702 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.748 30.491 -25.354 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.423 30.917 -23.026 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.775 32.013 -22.655 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.100 30.370 -23.257 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.968 28.780 -26.615 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.621 28.918 -24.966 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.500 29.642 -26.334 1.00 0.00 H new ATOM 473 N ALA A 31 -14.465 33.483 -23.835 1.00 0.00 N ATOM 474 CA ALA A 31 -14.968 34.633 -23.082 1.00 0.00 C ATOM 475 C ALA A 31 -14.777 34.448 -21.574 1.00 0.00 C ATOM 476 O ALA A 31 -15.004 33.368 -21.031 1.00 0.00 O ATOM 477 CB ALA A 31 -16.429 34.888 -23.445 1.00 0.00 C ATOM 0 H ALA A 31 -15.127 32.709 -23.891 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.387 35.513 -23.359 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.800 35.745 -22.882 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.508 35.093 -24.513 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.024 34.008 -23.200 1.00 0.00 H new ATOM 483 N ARG A 32 -14.386 35.516 -20.880 1.00 0.00 N ATOM 484 CA ARG A 32 -14.272 35.537 -19.413 1.00 0.00 C ATOM 485 C ARG A 32 -15.569 36.014 -18.764 1.00 0.00 C ATOM 486 O ARG A 32 -16.282 36.846 -19.330 1.00 0.00 O ATOM 487 CB ARG A 32 -13.057 36.379 -18.981 1.00 0.00 C ATOM 488 CG ARG A 32 -11.795 35.523 -18.839 1.00 0.00 C ATOM 489 CD ARG A 32 -10.521 36.375 -18.828 1.00 0.00 C ATOM 490 NE ARG A 32 -10.360 37.185 -17.602 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.253 37.783 -17.199 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.119 37.698 -17.836 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.266 38.509 -16.124 1.00 0.00 N ATOM 0 H ARG A 32 -14.136 36.402 -21.320 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.106 34.519 -19.062 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.882 37.167 -19.713 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.273 36.869 -18.032 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.852 34.944 -17.917 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.747 34.809 -19.661 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.656 35.721 -18.937 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.530 37.038 -19.693 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.183 37.293 -17.010 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.055 37.148 -18.693 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.295 38.182 -17.478 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.130 38.617 -15.592 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.413 38.972 -15.811 1.00 0.00 H new ATOM 507 N TYR A 33 -15.830 35.532 -17.549 1.00 0.00 N ATOM 508 CA TYR A 33 -16.944 35.969 -16.707 1.00 0.00 C ATOM 509 C TYR A 33 -16.536 36.041 -15.228 1.00 0.00 C ATOM 510 O TYR A 33 -15.799 35.183 -14.739 1.00 0.00 O ATOM 511 CB TYR A 33 -18.146 35.031 -16.857 1.00 0.00 C ATOM 512 CG TYR A 33 -18.756 34.937 -18.234 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.162 34.140 -19.228 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.952 35.620 -18.503 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.778 34.015 -20.486 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.564 35.511 -19.759 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.000 34.675 -20.739 1.00 0.00 C ATOM 518 OH TYR A 33 -20.673 34.470 -21.897 1.00 0.00 O ATOM 0 H TYR A 33 -15.259 34.809 -17.112 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.224 36.968 -17.042 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.839 34.031 -16.550 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.921 35.354 -16.162 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.235 33.625 -19.026 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.404 36.233 -17.737 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.317 33.415 -21.257 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.465 36.067 -19.973 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.352 35.167 -22.008 1.00 0.00 H new ATOM 528 N ARG A 34 -17.042 37.052 -14.512 1.00 0.00 N ATOM 529 CA ARG A 34 -16.763 37.331 -13.095 1.00 0.00 C ATOM 530 C ARG A 34 -17.979 37.040 -12.218 1.00 0.00 C ATOM 531 O ARG A 34 -19.060 37.569 -12.471 1.00 0.00 O ATOM 532 CB ARG A 34 -16.276 38.783 -12.948 1.00 0.00 C ATOM 533 CG ARG A 34 -15.652 39.005 -11.562 1.00 0.00 C ATOM 534 CD ARG A 34 -14.784 40.270 -11.514 1.00 0.00 C ATOM 535 NE ARG A 34 -13.770 40.162 -10.449 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.050 41.126 -9.910 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.190 42.378 -10.247 1.00 0.00 N ATOM 538 NH2 ARG A 34 -12.167 40.833 -9.000 1.00 0.00 N ATOM 0 H ARG A 34 -17.686 37.729 -14.921 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.972 36.665 -12.748 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.543 39.007 -13.723 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.111 39.469 -13.091 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.444 39.081 -10.817 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.045 38.140 -11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.294 40.419 -12.476 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.413 41.143 -11.338 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.605 39.224 -10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.877 42.642 -10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.612 43.093 -9.805 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.036 39.864 -8.709 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.605 41.572 -8.578 1.00 0.00 H new ATOM 552 N THR A 35 -17.798 36.201 -11.204 1.00 0.00 N ATOM 553 CA THR A 35 -18.853 35.758 -10.275 1.00 0.00 C ATOM 554 C THR A 35 -19.143 36.812 -9.206 1.00 0.00 C ATOM 555 O THR A 35 -18.469 37.840 -9.111 1.00 0.00 O ATOM 556 CB THR A 35 -18.510 34.442 -9.570 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.379 34.616 -8.771 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.270 33.290 -10.525 1.00 0.00 C ATOM 0 H THR A 35 -16.888 35.793 -10.992 1.00 0.00 H new ATOM 0 HA THR A 35 -19.735 35.604 -10.897 1.00 0.00 H new ATOM 0 HB THR A 35 -19.379 34.181 -8.966 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.602 34.801 -9.339 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.032 32.390 -9.957 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.167 33.117 -11.120 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.438 33.533 -11.186 1.00 0.00 H new ATOM 566 N ASP A 36 -20.115 36.531 -8.339 1.00 0.00 N ATOM 567 CA ASP A 36 -20.529 37.456 -7.289 1.00 0.00 C ATOM 568 C ASP A 36 -19.514 37.591 -6.136 1.00 0.00 C ATOM 569 O ASP A 36 -19.560 38.586 -5.408 1.00 0.00 O ATOM 570 CB ASP A 36 -21.925 37.051 -6.792 1.00 0.00 C ATOM 571 CG ASP A 36 -22.559 38.111 -5.874 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.854 39.232 -6.354 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.804 37.815 -4.678 1.00 0.00 O ATOM 0 H ASP A 36 -20.637 35.655 -8.346 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.570 38.455 -7.723 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.577 36.882 -7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.855 36.106 -6.254 1.00 0.00 H new ATOM 578 N ASN A 37 -18.548 36.665 -6.001 1.00 0.00 N ATOM 579 CA ASN A 37 -17.440 36.836 -5.045 1.00 0.00 C ATOM 580 C ASN A 37 -16.213 37.545 -5.672 1.00 0.00 C ATOM 581 O ASN A 37 -15.169 37.668 -5.028 1.00 0.00 O ATOM 582 CB ASN A 37 -17.044 35.508 -4.387 1.00 0.00 C ATOM 583 CG ASN A 37 -18.166 34.542 -4.057 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.249 34.894 -3.610 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.906 33.272 -4.249 1.00 0.00 N ATOM 0 H ASN A 37 -18.512 35.798 -6.537 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.814 37.494 -4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.342 34.999 -5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.509 35.733 -3.465 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.609 32.568 -4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.000 32.988 -4.622 1.00 0.00 H new ATOM 592 N GLY A 38 -16.307 37.962 -6.943 1.00 0.00 N ATOM 593 CA GLY A 38 -15.187 38.442 -7.762 1.00 0.00 C ATOM 594 C GLY A 38 -14.370 37.345 -8.440 1.00 0.00 C ATOM 595 O GLY A 38 -13.358 37.658 -9.068 1.00 0.00 O ATOM 0 H GLY A 38 -17.195 37.974 -7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.577 39.111 -8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.522 39.033 -7.132 1.00 0.00 H new ATOM 599 N GLU A 39 -14.775 36.080 -8.323 1.00 0.00 N ATOM 600 CA GLU A 39 -14.038 34.939 -8.885 1.00 0.00 C ATOM 601 C GLU A 39 -14.215 34.923 -10.407 1.00 0.00 C ATOM 602 O GLU A 39 -15.341 34.833 -10.893 1.00 0.00 O ATOM 603 CB GLU A 39 -14.476 33.590 -8.272 1.00 0.00 C ATOM 604 CG GLU A 39 -14.839 33.678 -6.783 1.00 0.00 C ATOM 605 CD GLU A 39 -14.595 32.411 -5.946 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.605 31.671 -6.169 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.393 32.192 -5.000 1.00 0.00 O ATOM 0 H GLU A 39 -15.629 35.813 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.985 35.065 -8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.336 33.212 -8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.672 32.865 -8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.270 34.495 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.893 33.943 -6.703 1.00 0.00 H new ATOM 614 N GLU A 40 -13.131 35.016 -11.169 1.00 0.00 N ATOM 615 CA GLU A 40 -13.186 35.053 -12.639 1.00 0.00 C ATOM 616 C GLU A 40 -12.810 33.702 -13.260 1.00 0.00 C ATOM 617 O GLU A 40 -11.795 33.091 -12.913 1.00 0.00 O ATOM 618 CB GLU A 40 -12.236 36.120 -13.197 1.00 0.00 C ATOM 619 CG GLU A 40 -12.758 37.535 -12.962 1.00 0.00 C ATOM 620 CD GLU A 40 -11.841 38.570 -13.633 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.700 38.532 -14.878 1.00 0.00 O ATOM 622 OE2 GLU A 40 -11.236 39.409 -12.923 1.00 0.00 O ATOM 0 H GLU A 40 -12.185 35.068 -10.792 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.216 35.293 -12.902 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.257 36.013 -12.729 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.098 35.958 -14.266 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.769 37.626 -13.359 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.817 37.733 -11.892 1.00 0.00 H new ATOM 629 N PHE A 41 -13.635 33.266 -14.216 1.00 0.00 N ATOM 630 CA PHE A 41 -13.478 32.033 -14.988 1.00 0.00 C ATOM 631 C PHE A 41 -13.553 32.297 -16.494 1.00 0.00 C ATOM 632 O PHE A 41 -14.069 33.320 -16.945 1.00 0.00 O ATOM 633 CB PHE A 41 -14.553 31.017 -14.580 1.00 0.00 C ATOM 634 CG PHE A 41 -14.443 30.532 -13.147 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.951 31.298 -12.076 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.799 29.308 -12.882 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.768 30.853 -10.761 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.612 28.871 -11.560 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.084 29.653 -10.496 1.00 0.00 C ATOM 0 H PHE A 41 -14.469 33.788 -14.484 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.491 31.626 -14.769 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.535 31.467 -14.724 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.495 30.157 -15.247 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.477 32.221 -12.269 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.446 28.700 -13.702 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.157 31.438 -9.941 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.107 27.937 -11.364 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.923 29.335 -9.477 1.00 0.00 H new ATOM 649 N GLU A 42 -13.059 31.340 -17.272 1.00 0.00 N ATOM 650 CA GLU A 42 -13.046 31.355 -18.734 1.00 0.00 C ATOM 651 C GLU A 42 -14.002 30.300 -19.314 1.00 0.00 C ATOM 652 O GLU A 42 -13.997 29.138 -18.897 1.00 0.00 O ATOM 653 CB GLU A 42 -11.623 31.141 -19.280 1.00 0.00 C ATOM 654 CG GLU A 42 -10.550 32.045 -18.653 1.00 0.00 C ATOM 655 CD GLU A 42 -9.686 31.374 -17.562 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.183 30.520 -16.789 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.486 31.734 -17.472 1.00 0.00 O ATOM 0 H GLU A 42 -12.638 30.495 -16.886 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.392 32.339 -19.050 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.340 30.101 -19.120 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.633 31.307 -20.357 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.893 32.406 -19.444 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.039 32.918 -18.222 1.00 0.00 H new ATOM 664 N VAL A 43 -14.803 30.703 -20.301 1.00 0.00 N ATOM 665 CA VAL A 43 -15.806 29.879 -20.995 1.00 0.00 C ATOM 666 C VAL A 43 -15.545 29.881 -22.514 1.00 0.00 C ATOM 667 O VAL A 43 -15.752 30.905 -23.171 1.00 0.00 O ATOM 668 CB VAL A 43 -17.236 30.372 -20.695 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.273 29.422 -21.306 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.523 30.499 -19.193 1.00 0.00 C ATOM 0 H VAL A 43 -14.772 31.658 -20.659 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.717 28.858 -20.625 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.310 31.364 -21.142 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.276 29.787 -21.084 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.134 29.378 -22.386 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.147 28.425 -20.883 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.544 30.850 -19.046 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.401 29.527 -18.716 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.827 31.211 -18.749 1.00 0.00 H new ATOM 680 N PRO A 44 -15.101 28.755 -23.103 1.00 0.00 N ATOM 681 CA PRO A 44 -15.002 28.579 -24.548 1.00 0.00 C ATOM 682 C PRO A 44 -16.378 28.480 -25.225 1.00 0.00 C ATOM 683 O PRO A 44 -17.226 27.670 -24.841 1.00 0.00 O ATOM 684 CB PRO A 44 -14.177 27.305 -24.769 1.00 0.00 C ATOM 685 CG PRO A 44 -13.479 27.056 -23.434 1.00 0.00 C ATOM 686 CD PRO A 44 -14.452 27.650 -22.423 1.00 0.00 C ATOM 0 HA PRO A 44 -14.525 29.447 -25.003 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.814 26.464 -25.045 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.455 27.436 -25.575 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.312 25.993 -23.258 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.505 27.543 -23.391 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.181 26.907 -22.099 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.928 27.993 -21.531 1.00 0.00 H new ATOM 694 N PHE A 45 -16.563 29.272 -26.277 1.00 0.00 N ATOM 695 CA PHE A 45 -17.710 29.247 -27.199 1.00 0.00 C ATOM 696 C PHE A 45 -17.267 28.917 -28.626 1.00 0.00 C ATOM 697 O PHE A 45 -16.257 29.430 -29.095 1.00 0.00 O ATOM 698 CB PHE A 45 -18.421 30.605 -27.190 1.00 0.00 C ATOM 699 CG PHE A 45 -19.266 30.853 -25.958 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.667 31.375 -24.798 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.647 30.571 -25.963 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.440 31.615 -23.652 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.419 30.804 -24.809 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.811 31.321 -23.650 1.00 0.00 C ATOM 0 H PHE A 45 -15.884 29.990 -26.529 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.394 28.470 -26.859 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.674 31.395 -27.270 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.056 30.676 -28.073 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.609 31.592 -24.789 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.114 30.176 -26.853 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.977 32.028 -22.768 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.477 30.586 -24.813 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.399 31.491 -22.760 1.00 0.00 H new ATOM 714 N ALA A 46 -18.051 28.134 -29.361 1.00 0.00 N ATOM 715 CA ALA A 46 -17.803 27.832 -30.775 1.00 0.00 C ATOM 716 C ALA A 46 -18.353 28.943 -31.686 1.00 0.00 C ATOM 717 O ALA A 46 -19.246 29.690 -31.287 1.00 0.00 O ATOM 718 CB ALA A 46 -18.411 26.463 -31.101 1.00 0.00 C ATOM 0 H ALA A 46 -18.888 27.684 -28.991 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.730 27.791 -30.960 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.233 26.227 -32.150 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.949 25.701 -30.474 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.484 26.487 -30.911 1.00 0.00 H new ATOM 724 N ASP A 47 -17.864 29.046 -32.923 1.00 0.00 N ATOM 725 CA ASP A 47 -18.310 30.035 -33.925 1.00 0.00 C ATOM 726 C ASP A 47 -19.811 29.919 -34.286 1.00 0.00 C ATOM 727 O ASP A 47 -20.423 30.876 -34.762 1.00 0.00 O ATOM 728 CB ASP A 47 -17.423 29.886 -35.169 1.00 0.00 C ATOM 729 CG ASP A 47 -17.740 30.922 -36.261 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.430 32.122 -36.066 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.257 30.534 -37.337 1.00 0.00 O ATOM 0 H ASP A 47 -17.128 28.432 -33.272 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.204 31.030 -33.493 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.377 29.983 -34.877 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.548 28.884 -35.579 1.00 0.00 H new ATOM 736 N ASP A 48 -20.427 28.762 -34.016 1.00 0.00 N ATOM 737 CA ASP A 48 -21.877 28.531 -34.136 1.00 0.00 C ATOM 738 C ASP A 48 -22.704 29.241 -33.035 1.00 0.00 C ATOM 739 O ASP A 48 -23.926 29.362 -33.148 1.00 0.00 O ATOM 740 CB ASP A 48 -22.111 27.015 -34.116 1.00 0.00 C ATOM 741 CG ASP A 48 -23.560 26.624 -34.460 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.004 26.885 -35.604 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.244 26.012 -33.604 1.00 0.00 O ATOM 0 H ASP A 48 -19.919 27.936 -33.699 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.224 28.965 -35.074 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.434 26.539 -34.826 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.861 26.628 -33.128 1.00 0.00 H new ATOM 748 N ALA A 49 -22.040 29.732 -31.982 1.00 0.00 N ATOM 749 CA ALA A 49 -22.609 30.457 -30.843 1.00 0.00 C ATOM 750 C ALA A 49 -22.043 31.889 -30.716 1.00 0.00 C ATOM 751 O ALA A 49 -20.983 32.213 -31.254 1.00 0.00 O ATOM 752 CB ALA A 49 -22.344 29.636 -29.573 1.00 0.00 C ATOM 0 H ALA A 49 -21.029 29.626 -31.899 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.682 30.576 -30.996 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.759 30.157 -28.710 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.815 28.657 -29.668 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.270 29.510 -29.439 1.00 0.00 H new ATOM 758 N GLU A 50 -22.736 32.746 -29.958 1.00 0.00 N ATOM 759 CA GLU A 50 -22.285 34.096 -29.587 1.00 0.00 C ATOM 760 C GLU A 50 -22.457 34.341 -28.082 1.00 0.00 C ATOM 761 O GLU A 50 -23.465 33.950 -27.492 1.00 0.00 O ATOM 762 CB GLU A 50 -23.038 35.176 -30.383 1.00 0.00 C ATOM 763 CG GLU A 50 -22.548 35.267 -31.831 1.00 0.00 C ATOM 764 CD GLU A 50 -23.363 36.304 -32.627 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.985 37.503 -32.637 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.386 35.934 -33.254 1.00 0.00 O ATOM 0 H GLU A 50 -23.652 32.515 -29.574 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.225 34.162 -29.833 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.105 34.955 -30.375 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.909 36.142 -29.895 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.493 35.540 -31.845 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.631 34.291 -32.308 1.00 0.00 H new ATOM 773 N ILE A 51 -21.465 35.008 -27.485 1.00 0.00 N ATOM 774 CA ILE A 51 -21.299 35.289 -26.050 1.00 0.00 C ATOM 775 C ILE A 51 -22.523 36.028 -25.479 1.00 0.00 C ATOM 776 O ILE A 51 -22.746 37.203 -25.801 1.00 0.00 O ATOM 777 CB ILE A 51 -20.020 36.117 -25.772 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.797 35.684 -26.613 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.665 36.090 -24.273 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.352 34.228 -26.451 1.00 0.00 C ATOM 0 H ILE A 51 -20.696 35.397 -28.032 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.203 34.324 -25.552 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.259 37.136 -26.077 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.024 35.859 -27.665 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.958 36.330 -26.357 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.763 36.678 -24.102 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.488 36.512 -23.696 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.492 35.061 -23.959 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.488 34.039 -27.088 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.084 34.043 -25.411 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.167 33.564 -26.739 1.00 0.00 H new ATOM 792 N PRO A 52 -23.322 35.366 -24.633 1.00 0.00 N ATOM 793 CA PRO A 52 -24.377 36.009 -23.867 1.00 0.00 C ATOM 794 C PRO A 52 -23.776 36.885 -22.755 1.00 0.00 C ATOM 795 O PRO A 52 -22.712 36.579 -22.210 1.00 0.00 O ATOM 796 CB PRO A 52 -25.223 34.857 -23.326 1.00 0.00 C ATOM 797 CG PRO A 52 -24.231 33.704 -23.190 1.00 0.00 C ATOM 798 CD PRO A 52 -23.195 33.965 -24.277 1.00 0.00 C ATOM 0 HA PRO A 52 -24.987 36.688 -24.463 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.675 35.110 -22.367 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.037 34.606 -24.006 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.774 33.688 -22.201 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.720 32.740 -23.331 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.190 33.745 -23.917 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.371 33.326 -25.143 1.00 0.00 H new ATOM 806 N GLY A 53 -24.478 37.967 -22.403 1.00 0.00 N ATOM 807 CA GLY A 53 -24.081 38.948 -21.378 1.00 0.00 C ATOM 808 C GLY A 53 -23.664 38.350 -20.025 1.00 0.00 C ATOM 809 O GLY A 53 -22.814 38.918 -19.334 1.00 0.00 O ATOM 0 H GLY A 53 -25.372 38.195 -22.838 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.252 39.540 -21.766 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.912 39.634 -21.213 1.00 0.00 H new ATOM 813 N THR A 54 -24.224 37.196 -19.648 1.00 0.00 N ATOM 814 CA THR A 54 -23.780 36.417 -18.487 1.00 0.00 C ATOM 815 C THR A 54 -23.785 34.902 -18.763 1.00 0.00 C ATOM 816 O THR A 54 -24.456 34.432 -19.688 1.00 0.00 O ATOM 817 CB THR A 54 -24.687 36.671 -17.264 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.026 36.304 -17.535 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.774 38.133 -16.835 1.00 0.00 C ATOM 0 H THR A 54 -25.007 36.772 -20.146 1.00 0.00 H new ATOM 0 HA THR A 54 -22.761 36.746 -18.284 1.00 0.00 H new ATOM 0 HB THR A 54 -24.222 36.074 -16.479 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.578 36.474 -16.743 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.431 38.220 -15.970 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.780 38.495 -16.573 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.173 38.730 -17.655 1.00 0.00 H new ATOM 827 N TRP A 55 -23.038 34.131 -17.965 1.00 0.00 N ATOM 828 CA TRP A 55 -22.899 32.670 -18.074 1.00 0.00 C ATOM 829 C TRP A 55 -22.488 32.038 -16.731 1.00 0.00 C ATOM 830 O TRP A 55 -21.781 32.658 -15.937 1.00 0.00 O ATOM 831 CB TRP A 55 -21.865 32.332 -19.155 1.00 0.00 C ATOM 832 CG TRP A 55 -21.819 30.894 -19.563 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.009 29.958 -19.032 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.596 30.202 -20.586 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.196 28.750 -19.670 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.176 28.838 -20.636 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.601 30.598 -21.490 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.728 27.915 -21.537 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.169 29.680 -22.397 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.734 28.341 -22.422 1.00 0.00 C ATOM 0 H TRP A 55 -22.492 34.520 -17.196 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.869 32.255 -18.350 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.074 32.937 -20.037 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.878 32.623 -18.795 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.314 30.129 -18.223 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.676 27.900 -19.455 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.942 31.623 -21.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.385 26.891 -21.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.942 30.006 -23.077 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.172 27.643 -23.120 1.00 0.00 H new ATOM 851 N LEU A 56 -22.920 30.805 -16.449 1.00 0.00 N ATOM 852 CA LEU A 56 -22.590 30.100 -15.205 1.00 0.00 C ATOM 853 C LEU A 56 -21.103 29.690 -15.156 1.00 0.00 C ATOM 854 O LEU A 56 -20.605 28.992 -16.042 1.00 0.00 O ATOM 855 CB LEU A 56 -23.528 28.889 -15.036 1.00 0.00 C ATOM 856 CG LEU A 56 -24.164 28.783 -13.641 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.244 27.703 -13.638 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.141 28.417 -12.570 1.00 0.00 C ATOM 0 H LEU A 56 -23.512 30.265 -17.080 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.744 30.778 -14.366 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.320 28.949 -15.782 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.967 27.977 -15.239 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.585 29.762 -13.414 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.689 27.636 -12.645 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.016 27.958 -14.364 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.800 26.743 -13.902 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.636 28.353 -11.601 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.690 27.454 -12.811 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.365 29.182 -12.532 1.00 0.00 H new ATOM 870 N CYS A 57 -20.401 30.102 -14.102 1.00 0.00 N ATOM 871 CA CYS A 57 -18.980 29.812 -13.888 1.00 0.00 C ATOM 872 C CYS A 57 -18.760 28.518 -13.090 1.00 0.00 C ATOM 873 O CYS A 57 -19.647 28.050 -12.370 1.00 0.00 O ATOM 874 CB CYS A 57 -18.316 31.004 -13.190 1.00 0.00 C ATOM 875 SG CYS A 57 -18.210 32.408 -14.325 1.00 0.00 S ATOM 0 H CYS A 57 -20.812 30.660 -13.354 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.518 29.655 -14.863 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.889 31.283 -12.306 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.319 30.726 -12.849 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.648 33.413 -13.721 1.00 0.00 H new ATOM 881 N ARG A 58 -17.537 27.971 -13.147 1.00 0.00 N ATOM 882 CA ARG A 58 -17.176 26.687 -12.508 1.00 0.00 C ATOM 883 C ARG A 58 -17.151 26.730 -10.971 1.00 0.00 C ATOM 884 O ARG A 58 -17.138 25.678 -10.333 1.00 0.00 O ATOM 885 CB ARG A 58 -15.851 26.144 -13.082 1.00 0.00 C ATOM 886 CG ARG A 58 -15.859 26.053 -14.620 1.00 0.00 C ATOM 887 CD ARG A 58 -14.610 25.374 -15.194 1.00 0.00 C ATOM 888 NE ARG A 58 -14.554 23.931 -14.880 1.00 0.00 N ATOM 889 CZ ARG A 58 -13.870 23.013 -15.538 1.00 0.00 C ATOM 890 NH1 ARG A 58 -13.170 23.283 -16.601 1.00 0.00 N ATOM 891 NH2 ARG A 58 -13.852 21.774 -15.147 1.00 0.00 N ATOM 0 H ARG A 58 -16.760 28.408 -13.642 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.980 25.994 -12.757 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.032 26.789 -12.765 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.658 25.156 -12.665 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.743 25.502 -14.940 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.942 27.057 -15.036 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.593 25.508 -16.276 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.720 25.863 -14.798 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.097 23.613 -14.077 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.134 24.237 -16.959 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.657 22.540 -17.076 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.373 21.494 -14.316 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.317 21.082 -15.671 1.00 0.00 H new ATOM 905 N ASN A 59 -17.228 27.925 -10.372 1.00 0.00 N ATOM 906 CA ASN A 59 -17.473 28.117 -8.934 1.00 0.00 C ATOM 907 C ASN A 59 -18.909 27.706 -8.509 1.00 0.00 C ATOM 908 O ASN A 59 -19.189 27.495 -7.328 1.00 0.00 O ATOM 909 CB ASN A 59 -17.212 29.604 -8.632 1.00 0.00 C ATOM 910 CG ASN A 59 -17.403 30.048 -7.188 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.197 29.315 -6.232 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.741 31.304 -6.993 1.00 0.00 N ATOM 0 H ASN A 59 -17.120 28.802 -10.881 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.808 27.472 -8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.189 29.838 -8.928 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.871 30.201 -9.262 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.831 31.666 -6.044 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.913 31.916 -7.791 1.00 0.00 H new ATOM 919 N GLY A 60 -19.827 27.582 -9.473 1.00 0.00 N ATOM 920 CA GLY A 60 -21.258 27.337 -9.253 1.00 0.00 C ATOM 921 C GLY A 60 -22.088 28.622 -9.120 1.00 0.00 C ATOM 922 O GLY A 60 -23.246 28.558 -8.702 1.00 0.00 O ATOM 0 H GLY A 60 -19.587 27.652 -10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.649 26.746 -10.082 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.381 26.740 -8.350 1.00 0.00 H new ATOM 926 N MET A 61 -21.512 29.782 -9.465 1.00 0.00 N ATOM 927 CA MET A 61 -22.156 31.097 -9.437 1.00 0.00 C ATOM 928 C MET A 61 -22.314 31.671 -10.852 1.00 0.00 C ATOM 929 O MET A 61 -21.463 31.461 -11.719 1.00 0.00 O ATOM 930 CB MET A 61 -21.338 32.019 -8.518 1.00 0.00 C ATOM 931 CG MET A 61 -22.022 33.355 -8.200 1.00 0.00 C ATOM 932 SD MET A 61 -23.689 33.266 -7.486 1.00 0.00 S ATOM 933 CE MET A 61 -23.303 32.611 -5.839 1.00 0.00 C ATOM 0 H MET A 61 -20.544 29.828 -9.784 1.00 0.00 H new ATOM 0 HA MET A 61 -23.167 31.009 -9.038 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.135 31.496 -7.584 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.374 32.219 -8.987 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.385 33.908 -7.510 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.076 33.937 -9.120 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.224 32.496 -5.268 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.814 31.642 -5.938 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.638 33.301 -5.320 1.00 0.00 H new ATOM 943 N GLU A 62 -23.387 32.422 -11.093 1.00 0.00 N ATOM 944 CA GLU A 62 -23.614 33.139 -12.353 1.00 0.00 C ATOM 945 C GLU A 62 -22.579 34.264 -12.521 1.00 0.00 C ATOM 946 O GLU A 62 -22.584 35.254 -11.784 1.00 0.00 O ATOM 947 CB GLU A 62 -25.060 33.654 -12.409 1.00 0.00 C ATOM 948 CG GLU A 62 -25.401 34.284 -13.767 1.00 0.00 C ATOM 949 CD GLU A 62 -26.888 34.686 -13.820 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.236 35.811 -13.383 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.725 33.873 -14.286 1.00 0.00 O ATOM 0 H GLU A 62 -24.135 32.553 -10.412 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.480 32.458 -13.193 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.745 32.830 -12.211 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.212 34.391 -11.620 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.775 35.161 -13.935 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.181 33.578 -14.567 1.00 0.00 H new ATOM 958 N GLY A 63 -21.662 34.088 -13.473 1.00 0.00 N ATOM 959 CA GLY A 63 -20.662 35.082 -13.844 1.00 0.00 C ATOM 960 C GLY A 63 -21.182 36.084 -14.876 1.00 0.00 C ATOM 961 O GLY A 63 -21.973 35.733 -15.752 1.00 0.00 O ATOM 0 H GLY A 63 -21.595 33.229 -14.019 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.341 35.619 -12.952 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.784 34.576 -14.245 1.00 0.00 H new ATOM 965 N THR A 64 -20.693 37.325 -14.823 1.00 0.00 N ATOM 966 CA THR A 64 -20.989 38.367 -15.824 1.00 0.00 C ATOM 967 C THR A 64 -19.789 38.639 -16.723 1.00 0.00 C ATOM 968 O THR A 64 -18.656 38.671 -16.247 1.00 0.00 O ATOM 969 CB THR A 64 -21.444 39.674 -15.157 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.559 39.438 -14.322 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.861 40.753 -16.163 1.00 0.00 C ATOM 0 H THR A 64 -20.073 37.644 -14.078 1.00 0.00 H new ATOM 0 HA THR A 64 -21.804 37.987 -16.440 1.00 0.00 H new ATOM 0 HB THR A 64 -20.581 40.028 -14.594 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.837 40.279 -13.902 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.171 41.650 -15.627 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.018 40.991 -16.811 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.691 40.386 -16.767 1.00 0.00 H new ATOM 979 N LEU A 65 -20.038 38.812 -18.022 1.00 0.00 N ATOM 980 CA LEU A 65 -19.032 38.959 -19.075 1.00 0.00 C ATOM 981 C LEU A 65 -18.135 40.189 -18.818 1.00 0.00 C ATOM 982 O LEU A 65 -18.629 41.318 -18.740 1.00 0.00 O ATOM 983 CB LEU A 65 -19.810 39.027 -20.407 1.00 0.00 C ATOM 984 CG LEU A 65 -19.047 38.892 -21.740 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.015 39.246 -22.873 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.813 39.778 -21.904 1.00 0.00 C ATOM 0 H LEU A 65 -20.990 38.855 -18.385 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.339 38.118 -19.101 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.567 38.243 -20.383 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.338 39.980 -20.428 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.682 37.865 -21.760 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.502 39.159 -23.831 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.864 38.563 -22.853 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.369 40.269 -22.743 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.361 39.595 -22.879 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.105 40.826 -21.830 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.092 39.546 -21.120 1.00 0.00 H new