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= 0.987 K(o=0.96,f=-0.0035) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0307 X(o=0.96,f=1) USER MOD Single : A 29 GLN : amide:sc= 0.841 K(o=0.84,f=-0.011) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.519 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.284 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.33 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 -14.230 31.096 -29.435 1.00 0.00 N ATOM 438 CA GLN A 29 -14.212 32.415 -28.793 1.00 0.00 C ATOM 439 C GLN A 29 -14.179 32.237 -27.272 1.00 0.00 C ATOM 440 O GLN A 29 -15.189 31.918 -26.644 1.00 0.00 O ATOM 441 CB GLN A 29 -15.477 33.221 -29.150 1.00 0.00 C ATOM 442 CG GLN A 29 -15.747 33.396 -30.654 1.00 0.00 C ATOM 443 CD GLN A 29 -17.141 32.910 -31.022 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.955 33.616 -31.602 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.441 31.678 -30.683 1.00 0.00 N ATOM 0 HA GLN A 29 -13.330 32.950 -29.145 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.339 32.730 -28.698 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.398 34.208 -28.695 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.642 34.446 -30.925 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.003 32.843 -31.227 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.753 31.100 -30.200 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.362 31.298 -30.903 1.00 0.00 H new ATOM 454 N ILE A 30 -13.022 32.439 -26.663 1.00 0.00 N ATOM 455 CA ILE A 30 -12.875 32.475 -25.215 1.00 0.00 C ATOM 456 C ILE A 30 -13.359 33.837 -24.708 1.00 0.00 C ATOM 457 O ILE A 30 -12.729 34.874 -24.931 1.00 0.00 O ATOM 458 CB ILE A 30 -11.432 32.132 -24.804 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.041 30.660 -25.077 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.258 32.344 -23.289 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.286 30.045 -26.461 1.00 0.00 C ATOM 0 H ILE A 30 -12.147 32.585 -27.166 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.494 31.712 -24.743 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.799 32.786 -25.403 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.977 30.562 -24.863 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.570 30.044 -24.350 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.235 32.100 -23.003 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.466 33.385 -23.041 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.950 31.697 -22.749 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.949 29.008 -26.463 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.351 30.081 -26.692 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.732 30.608 -27.212 1.00 0.00 H new ATOM 473 N ALA A 31 -14.492 33.820 -24.019 1.00 0.00 N ATOM 474 CA ALA A 31 -14.941 34.911 -23.161 1.00 0.00 C ATOM 475 C ALA A 31 -14.560 34.625 -21.698 1.00 0.00 C ATOM 476 O ALA A 31 -14.319 33.479 -21.312 1.00 0.00 O ATOM 477 CB ALA A 31 -16.449 35.092 -23.349 1.00 0.00 C ATOM 0 H ALA A 31 -15.139 33.032 -24.041 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.449 35.844 -23.435 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.800 35.905 -22.713 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.660 35.330 -24.392 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.963 34.170 -23.076 1.00 0.00 H new ATOM 483 N ARG A 32 -14.523 35.667 -20.867 1.00 0.00 N ATOM 484 CA ARG A 32 -14.386 35.560 -19.407 1.00 0.00 C ATOM 485 C ARG A 32 -15.653 36.047 -18.722 1.00 0.00 C ATOM 486 O ARG A 32 -16.372 36.886 -19.268 1.00 0.00 O ATOM 487 CB ARG A 32 -13.140 36.324 -18.926 1.00 0.00 C ATOM 488 CG ARG A 32 -11.895 35.432 -18.936 1.00 0.00 C ATOM 489 CD ARG A 32 -10.605 36.256 -18.938 1.00 0.00 C ATOM 490 NE ARG A 32 -10.343 36.955 -17.662 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.178 37.434 -17.262 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.078 37.266 -17.942 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.099 38.113 -16.160 1.00 0.00 N ATOM 0 H ARG A 32 -14.589 36.631 -21.193 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.249 34.513 -19.137 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.973 37.190 -19.567 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.310 36.701 -17.918 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.908 34.780 -18.063 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.916 34.788 -19.815 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.765 35.598 -19.161 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.656 36.991 -19.741 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.135 37.079 -17.032 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.095 36.747 -18.820 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.200 37.653 -17.596 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.936 38.278 -15.601 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.200 38.482 -15.852 1.00 0.00 H new ATOM 507 N TYR A 33 -15.884 35.564 -17.503 1.00 0.00 N ATOM 508 CA TYR A 33 -16.987 36.002 -16.650 1.00 0.00 C ATOM 509 C TYR A 33 -16.569 36.059 -15.172 1.00 0.00 C ATOM 510 O TYR A 33 -15.837 35.189 -14.698 1.00 0.00 O ATOM 511 CB TYR A 33 -18.194 35.074 -16.816 1.00 0.00 C ATOM 512 CG TYR A 33 -18.810 35.009 -18.195 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.234 34.210 -19.201 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.991 35.719 -18.457 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.862 34.106 -20.456 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.611 35.628 -19.713 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.070 34.787 -20.701 1.00 0.00 C ATOM 518 OH TYR A 33 -20.752 34.601 -21.857 1.00 0.00 O ATOM 0 H TYR A 33 -15.301 34.846 -17.073 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.264 37.009 -16.963 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.892 34.067 -16.529 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.965 35.388 -16.112 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.313 33.679 -19.010 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.426 36.340 -17.688 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.417 33.503 -21.233 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.502 36.203 -19.920 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.408 35.321 -21.969 1.00 0.00 H new ATOM 528 N ARG A 34 -17.050 37.078 -14.447 1.00 0.00 N ATOM 529 CA ARG A 34 -16.780 37.335 -13.024 1.00 0.00 C ATOM 530 C ARG A 34 -17.998 37.017 -12.159 1.00 0.00 C ATOM 531 O ARG A 34 -19.073 37.565 -12.389 1.00 0.00 O ATOM 532 CB ARG A 34 -16.324 38.795 -12.856 1.00 0.00 C ATOM 533 CG ARG A 34 -15.908 39.093 -11.406 1.00 0.00 C ATOM 534 CD ARG A 34 -14.884 40.228 -11.314 1.00 0.00 C ATOM 535 NE ARG A 34 -15.385 41.508 -11.849 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.734 42.353 -12.632 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.563 42.102 -13.147 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.269 43.504 -12.926 1.00 0.00 N ATOM 0 H ARG A 34 -17.668 37.780 -14.855 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.982 36.675 -12.684 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.486 38.995 -13.524 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.132 39.465 -13.149 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.791 39.356 -10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.489 38.192 -10.959 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.596 40.365 -10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.984 39.942 -11.858 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.335 41.770 -11.587 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.100 41.214 -12.953 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.110 42.794 -13.744 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.186 43.750 -12.553 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.771 44.159 -13.529 1.00 0.00 H new ATOM 552 N THR A 35 -17.822 36.141 -11.175 1.00 0.00 N ATOM 553 CA THR A 35 -18.868 35.688 -10.241 1.00 0.00 C ATOM 554 C THR A 35 -19.148 36.730 -9.160 1.00 0.00 C ATOM 555 O THR A 35 -18.479 37.762 -9.064 1.00 0.00 O ATOM 556 CB THR A 35 -18.503 34.371 -9.551 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.363 34.549 -8.763 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.263 33.226 -10.515 1.00 0.00 C ATOM 0 H THR A 35 -16.917 35.707 -10.993 1.00 0.00 H new ATOM 0 HA THR A 35 -19.758 35.537 -10.852 1.00 0.00 H new ATOM 0 HB THR A 35 -19.364 34.099 -8.940 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.595 34.745 -9.339 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.009 32.326 -9.955 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.165 33.047 -11.099 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.441 33.480 -11.185 1.00 0.00 H new ATOM 566 N ASP A 36 -20.108 36.433 -8.282 1.00 0.00 N ATOM 567 CA ASP A 36 -20.511 37.351 -7.222 1.00 0.00 C ATOM 568 C ASP A 36 -19.478 37.491 -6.086 1.00 0.00 C ATOM 569 O ASP A 36 -19.522 38.482 -5.353 1.00 0.00 O ATOM 570 CB ASP A 36 -21.896 36.932 -6.703 1.00 0.00 C ATOM 571 CG ASP A 36 -22.525 37.986 -5.775 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.836 39.105 -6.253 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.751 37.690 -4.577 1.00 0.00 O ATOM 0 H ASP A 36 -20.624 35.553 -8.288 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.567 38.351 -7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.559 36.757 -7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.808 35.987 -6.166 1.00 0.00 H new ATOM 578 N ASN A 37 -18.500 36.575 -5.971 1.00 0.00 N ATOM 579 CA ASN A 37 -17.379 36.752 -5.031 1.00 0.00 C ATOM 580 C ASN A 37 -16.162 37.464 -5.672 1.00 0.00 C ATOM 581 O ASN A 37 -15.108 37.579 -5.042 1.00 0.00 O ATOM 582 CB ASN A 37 -16.978 35.428 -4.365 1.00 0.00 C ATOM 583 CG ASN A 37 -18.100 34.465 -4.027 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.167 34.819 -3.545 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.858 33.197 -4.254 1.00 0.00 N ATOM 0 H ASN A 37 -18.463 35.711 -6.513 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.742 37.416 -4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.277 34.915 -5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.440 35.659 -3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.563 32.495 -4.028 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.965 32.912 -4.656 1.00 0.00 H new ATOM 592 N GLY A 38 -16.275 37.894 -6.936 1.00 0.00 N ATOM 593 CA GLY A 38 -15.166 38.388 -7.764 1.00 0.00 C ATOM 594 C GLY A 38 -14.345 37.295 -8.446 1.00 0.00 C ATOM 595 O GLY A 38 -13.327 37.600 -9.070 1.00 0.00 O ATOM 0 H GLY A 38 -17.169 37.908 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.569 39.052 -8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.502 38.986 -7.140 1.00 0.00 H new ATOM 599 N GLU A 39 -14.751 36.030 -8.332 1.00 0.00 N ATOM 600 CA GLU A 39 -14.011 34.897 -8.902 1.00 0.00 C ATOM 601 C GLU A 39 -14.205 34.896 -10.421 1.00 0.00 C ATOM 602 O GLU A 39 -15.336 34.800 -10.894 1.00 0.00 O ATOM 603 CB GLU A 39 -14.442 33.545 -8.290 1.00 0.00 C ATOM 604 CG GLU A 39 -14.801 33.637 -6.801 1.00 0.00 C ATOM 605 CD GLU A 39 -14.546 32.374 -5.972 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.458 31.762 -6.060 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.416 32.036 -5.135 1.00 0.00 O ATOM 0 H GLU A 39 -15.603 35.759 -7.842 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.955 35.018 -8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.302 33.163 -8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.635 32.823 -8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.235 34.458 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.856 33.897 -6.717 1.00 0.00 H new ATOM 614 N GLU A 40 -13.127 35.004 -11.192 1.00 0.00 N ATOM 615 CA GLU A 40 -13.196 35.047 -12.659 1.00 0.00 C ATOM 616 C GLU A 40 -12.812 33.704 -13.290 1.00 0.00 C ATOM 617 O GLU A 40 -11.786 33.102 -12.956 1.00 0.00 O ATOM 618 CB GLU A 40 -12.288 36.147 -13.230 1.00 0.00 C ATOM 619 CG GLU A 40 -12.980 37.510 -13.203 1.00 0.00 C ATOM 620 CD GLU A 40 -12.121 38.616 -13.841 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.520 38.377 -14.917 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.066 39.738 -13.285 1.00 0.00 O ATOM 0 H GLU A 40 -12.178 35.065 -10.823 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.233 35.268 -12.910 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.364 36.195 -12.653 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.012 35.898 -14.254 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.931 37.442 -13.731 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.207 37.779 -12.171 1.00 0.00 H new ATOM 629 N PHE A 41 -13.645 33.267 -14.238 1.00 0.00 N ATOM 630 CA PHE A 41 -13.487 32.042 -15.024 1.00 0.00 C ATOM 631 C PHE A 41 -13.563 32.328 -16.528 1.00 0.00 C ATOM 632 O PHE A 41 -14.058 33.372 -16.958 1.00 0.00 O ATOM 633 CB PHE A 41 -14.557 31.023 -14.609 1.00 0.00 C ATOM 634 CG PHE A 41 -14.422 30.530 -13.178 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.945 31.273 -12.099 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.737 29.325 -12.925 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.743 30.823 -10.788 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.536 28.881 -11.607 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.027 29.640 -10.535 1.00 0.00 C ATOM 0 H PHE A 41 -14.488 33.783 -14.490 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.499 31.627 -14.823 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.541 31.474 -14.735 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.509 30.167 -15.283 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.497 32.183 -12.282 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.363 28.738 -13.751 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.142 31.392 -9.961 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.006 27.959 -11.420 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.856 29.317 -9.519 1.00 0.00 H new ATOM 649 N GLU A 42 -13.096 31.378 -17.336 1.00 0.00 N ATOM 650 CA GLU A 42 -13.091 31.445 -18.796 1.00 0.00 C ATOM 651 C GLU A 42 -14.104 30.450 -19.374 1.00 0.00 C ATOM 652 O GLU A 42 -14.144 29.285 -18.969 1.00 0.00 O ATOM 653 CB GLU A 42 -11.689 31.175 -19.375 1.00 0.00 C ATOM 654 CG GLU A 42 -10.531 31.913 -18.684 1.00 0.00 C ATOM 655 CD GLU A 42 -9.801 31.015 -17.662 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.859 30.285 -18.058 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.152 31.036 -16.458 1.00 0.00 O ATOM 0 H GLU A 42 -12.697 30.510 -16.979 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.377 32.457 -19.082 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.495 30.104 -19.324 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.692 31.449 -20.430 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.821 32.258 -19.436 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.916 32.799 -18.179 1.00 0.00 H new ATOM 664 N VAL A 43 -14.900 30.901 -20.344 1.00 0.00 N ATOM 665 CA VAL A 43 -15.885 30.080 -21.064 1.00 0.00 C ATOM 666 C VAL A 43 -15.570 30.096 -22.570 1.00 0.00 C ATOM 667 O VAL A 43 -15.739 31.135 -23.217 1.00 0.00 O ATOM 668 CB VAL A 43 -17.329 30.541 -20.791 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.329 29.568 -21.425 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.646 30.647 -19.293 1.00 0.00 C ATOM 0 H VAL A 43 -14.880 31.870 -20.661 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.811 29.057 -20.696 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.419 31.533 -21.233 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.345 29.908 -21.223 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.166 29.530 -22.502 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.188 28.574 -21.001 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.677 30.976 -19.162 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.513 29.672 -18.823 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.973 31.368 -18.829 1.00 0.00 H new ATOM 680 N PRO A 44 -15.105 28.975 -23.152 1.00 0.00 N ATOM 681 CA PRO A 44 -14.899 28.845 -24.591 1.00 0.00 C ATOM 682 C PRO A 44 -16.227 28.568 -25.324 1.00 0.00 C ATOM 683 O PRO A 44 -16.882 27.548 -25.095 1.00 0.00 O ATOM 684 CB PRO A 44 -13.888 27.705 -24.750 1.00 0.00 C ATOM 685 CG PRO A 44 -14.137 26.817 -23.531 1.00 0.00 C ATOM 686 CD PRO A 44 -14.615 27.792 -22.453 1.00 0.00 C ATOM 0 HA PRO A 44 -14.522 29.764 -25.039 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.045 27.159 -25.680 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.864 28.079 -24.769 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.887 26.054 -23.740 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.230 26.297 -23.224 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.403 27.345 -21.848 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.801 28.051 -21.776 1.00 0.00 H new ATOM 694 N PHE A 45 -16.603 29.460 -26.241 1.00 0.00 N ATOM 695 CA PHE A 45 -17.768 29.344 -27.131 1.00 0.00 C ATOM 696 C PHE A 45 -17.351 28.936 -28.544 1.00 0.00 C ATOM 697 O PHE A 45 -16.354 29.426 -29.065 1.00 0.00 O ATOM 698 CB PHE A 45 -18.512 30.682 -27.182 1.00 0.00 C ATOM 699 CG PHE A 45 -19.362 30.952 -25.955 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.769 31.480 -24.794 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.747 30.703 -25.977 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.557 31.764 -23.669 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.533 30.984 -24.844 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.934 31.501 -23.682 1.00 0.00 C ATOM 0 H PHE A 45 -16.083 30.324 -26.394 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.423 28.569 -26.733 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.786 31.487 -27.295 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.149 30.700 -28.066 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.706 31.667 -24.769 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.207 30.296 -26.865 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.100 32.188 -22.787 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.597 30.802 -24.867 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.532 31.695 -22.804 1.00 0.00 H new ATOM 714 N ALA A 46 -18.141 28.104 -29.214 1.00 0.00 N ATOM 715 CA ALA A 46 -17.880 27.661 -30.582 1.00 0.00 C ATOM 716 C ALA A 46 -18.307 28.724 -31.609 1.00 0.00 C ATOM 717 O ALA A 46 -19.176 29.548 -31.329 1.00 0.00 O ATOM 718 CB ALA A 46 -18.632 26.342 -30.805 1.00 0.00 C ATOM 0 H ALA A 46 -18.995 27.711 -28.817 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.810 27.509 -30.721 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.454 25.989 -31.821 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.277 25.596 -30.094 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.700 26.503 -30.659 1.00 0.00 H new ATOM 724 N ASP A 47 -17.752 28.681 -32.822 1.00 0.00 N ATOM 725 CA ASP A 47 -18.115 29.583 -33.933 1.00 0.00 C ATOM 726 C ASP A 47 -19.605 29.495 -34.346 1.00 0.00 C ATOM 727 O ASP A 47 -20.152 30.427 -34.937 1.00 0.00 O ATOM 728 CB ASP A 47 -17.193 29.271 -35.120 1.00 0.00 C ATOM 729 CG ASP A 47 -17.399 30.228 -36.306 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.042 31.425 -36.189 1.00 0.00 O ATOM 731 OD2 ASP A 47 -17.879 29.777 -37.375 1.00 0.00 O ATOM 0 H ASP A 47 -17.025 28.010 -33.071 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.979 30.610 -33.594 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.155 29.326 -34.792 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.369 28.247 -35.451 1.00 0.00 H new ATOM 736 N ASP A 48 -20.287 28.397 -33.994 1.00 0.00 N ATOM 737 CA ASP A 48 -21.738 28.211 -34.167 1.00 0.00 C ATOM 738 C ASP A 48 -22.588 28.987 -33.129 1.00 0.00 C ATOM 739 O ASP A 48 -23.805 29.112 -33.281 1.00 0.00 O ATOM 740 CB ASP A 48 -22.024 26.703 -34.103 1.00 0.00 C ATOM 741 CG ASP A 48 -23.463 26.345 -34.518 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.833 26.588 -35.693 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.213 25.774 -33.689 1.00 0.00 O ATOM 0 H ASP A 48 -19.833 27.589 -33.568 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.030 28.624 -35.133 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.323 26.178 -34.752 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.845 26.348 -33.088 1.00 0.00 H new ATOM 748 N ALA A 49 -21.948 29.512 -32.079 1.00 0.00 N ATOM 749 CA ALA A 49 -22.549 30.206 -30.937 1.00 0.00 C ATOM 750 C ALA A 49 -22.048 31.662 -30.785 1.00 0.00 C ATOM 751 O ALA A 49 -21.130 32.111 -31.475 1.00 0.00 O ATOM 752 CB ALA A 49 -22.256 29.373 -29.680 1.00 0.00 C ATOM 0 H ALA A 49 -20.932 29.460 -32.000 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.624 30.293 -31.096 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.691 29.863 -28.809 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.691 28.380 -29.792 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.178 29.284 -29.546 1.00 0.00 H new ATOM 758 N GLU A 50 -22.650 32.400 -29.849 1.00 0.00 N ATOM 759 CA GLU A 50 -22.269 33.761 -29.440 1.00 0.00 C ATOM 760 C GLU A 50 -22.235 33.904 -27.904 1.00 0.00 C ATOM 761 O GLU A 50 -22.750 33.044 -27.191 1.00 0.00 O ATOM 762 CB GLU A 50 -23.215 34.782 -30.097 1.00 0.00 C ATOM 763 CG GLU A 50 -24.664 34.723 -29.587 1.00 0.00 C ATOM 764 CD GLU A 50 -25.555 35.724 -30.349 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.628 36.910 -29.944 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.197 35.333 -31.355 1.00 0.00 O ATOM 0 H GLU A 50 -23.455 32.051 -29.329 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.255 33.962 -29.786 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.823 35.785 -29.927 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.215 34.619 -31.175 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.056 33.714 -29.710 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.688 34.947 -28.520 1.00 0.00 H new ATOM 773 N ILE A 51 -21.636 34.990 -27.402 1.00 0.00 N ATOM 774 CA ILE A 51 -21.428 35.315 -25.984 1.00 0.00 C ATOM 775 C ILE A 51 -22.635 36.099 -25.438 1.00 0.00 C ATOM 776 O ILE A 51 -22.833 37.266 -25.801 1.00 0.00 O ATOM 777 CB ILE A 51 -20.134 36.140 -25.769 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.955 35.693 -26.664 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.735 36.141 -24.280 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.467 34.258 -26.472 1.00 0.00 C ATOM 0 H ILE A 51 -21.259 35.713 -28.014 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.324 34.374 -25.443 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.365 37.160 -26.077 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.250 35.818 -27.706 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.116 36.366 -26.487 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.824 36.725 -24.148 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.538 36.582 -23.689 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.561 35.117 -23.949 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.639 34.061 -27.153 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.131 34.122 -25.444 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.282 33.565 -26.682 1.00 0.00 H new ATOM 792 N PRO A 52 -23.446 35.496 -24.561 1.00 0.00 N ATOM 793 CA PRO A 52 -24.461 36.195 -23.788 1.00 0.00 C ATOM 794 C PRO A 52 -23.815 37.058 -22.692 1.00 0.00 C ATOM 795 O PRO A 52 -22.746 36.730 -22.172 1.00 0.00 O ATOM 796 CB PRO A 52 -25.350 35.090 -23.217 1.00 0.00 C ATOM 797 CG PRO A 52 -24.411 33.894 -23.093 1.00 0.00 C ATOM 798 CD PRO A 52 -23.408 34.091 -24.220 1.00 0.00 C ATOM 0 HA PRO A 52 -25.043 36.892 -24.391 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.768 35.372 -22.251 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.190 34.872 -23.876 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.919 33.873 -22.121 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.949 32.952 -23.199 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.407 33.795 -23.905 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.666 33.475 -25.082 1.00 0.00 H new ATOM 806 N GLY A 53 -24.492 38.148 -22.320 1.00 0.00 N ATOM 807 CA GLY A 53 -24.067 39.113 -21.290 1.00 0.00 C ATOM 808 C GLY A 53 -23.646 38.494 -19.948 1.00 0.00 C ATOM 809 O GLY A 53 -22.782 39.043 -19.260 1.00 0.00 O ATOM 0 H GLY A 53 -25.387 38.396 -22.742 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.232 39.694 -21.682 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.884 39.811 -21.109 1.00 0.00 H new ATOM 813 N THR A 54 -24.220 37.347 -19.574 1.00 0.00 N ATOM 814 CA THR A 54 -23.782 36.553 -18.418 1.00 0.00 C ATOM 815 C THR A 54 -23.809 35.038 -18.699 1.00 0.00 C ATOM 816 O THR A 54 -24.497 34.578 -19.615 1.00 0.00 O ATOM 817 CB THR A 54 -24.683 36.816 -17.191 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.025 36.468 -17.476 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.757 38.280 -16.765 1.00 0.00 C ATOM 0 H THR A 54 -25.011 36.937 -20.070 1.00 0.00 H new ATOM 0 HA THR A 54 -22.756 36.864 -18.218 1.00 0.00 H new ATOM 0 HB THR A 54 -24.228 36.218 -16.402 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.582 36.639 -16.688 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.410 38.374 -15.897 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.759 38.635 -16.508 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.155 38.878 -17.585 1.00 0.00 H new ATOM 827 N TRP A 55 -23.060 34.252 -17.914 1.00 0.00 N ATOM 828 CA TRP A 55 -22.944 32.789 -18.035 1.00 0.00 C ATOM 829 C TRP A 55 -22.504 32.135 -16.710 1.00 0.00 C ATOM 830 O TRP A 55 -21.755 32.727 -15.931 1.00 0.00 O ATOM 831 CB TRP A 55 -21.944 32.450 -19.147 1.00 0.00 C ATOM 832 CG TRP A 55 -21.931 31.023 -19.591 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.109 30.068 -19.114 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.741 30.366 -20.614 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.309 28.888 -19.794 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.312 29.009 -20.730 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.783 30.784 -21.466 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.880 28.116 -21.654 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.367 29.899 -22.394 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.916 28.569 -22.491 1.00 0.00 C ATOM 0 H TRP A 55 -22.498 34.628 -17.150 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.928 32.390 -18.283 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.162 33.078 -20.011 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.944 32.714 -18.804 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.397 30.208 -18.314 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.781 28.032 -19.626 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.140 31.801 -21.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.527 27.098 -21.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.165 30.243 -23.035 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.365 27.897 -23.207 1.00 0.00 H new ATOM 851 N LEU A 56 -22.951 30.906 -16.432 1.00 0.00 N ATOM 852 CA LEU A 56 -22.616 30.175 -15.204 1.00 0.00 C ATOM 853 C LEU A 56 -21.137 29.743 -15.190 1.00 0.00 C ATOM 854 O LEU A 56 -20.660 29.069 -16.106 1.00 0.00 O ATOM 855 CB LEU A 56 -23.575 28.978 -15.046 1.00 0.00 C ATOM 856 CG LEU A 56 -24.183 28.844 -13.640 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.293 27.794 -13.648 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.147 28.412 -12.606 1.00 0.00 C ATOM 0 H LEU A 56 -23.563 30.384 -17.060 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.746 30.836 -14.347 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.382 29.074 -15.772 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.037 28.061 -15.287 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.570 29.827 -13.371 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.718 27.706 -12.648 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.073 28.094 -14.348 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.882 26.832 -13.953 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.621 28.330 -11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.731 27.445 -12.890 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.348 29.152 -12.561 1.00 0.00 H new ATOM 870 N CYS A 57 -20.415 30.117 -14.136 1.00 0.00 N ATOM 871 CA CYS A 57 -18.992 29.818 -13.956 1.00 0.00 C ATOM 872 C CYS A 57 -18.759 28.508 -13.187 1.00 0.00 C ATOM 873 O CYS A 57 -19.638 28.022 -12.470 1.00 0.00 O ATOM 874 CB CYS A 57 -18.333 30.998 -13.238 1.00 0.00 C ATOM 875 SG CYS A 57 -18.265 32.418 -14.354 1.00 0.00 S ATOM 0 H CYS A 57 -20.812 30.650 -13.362 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.541 29.676 -14.938 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.897 31.253 -12.341 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.328 30.726 -12.916 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.708 33.422 -13.745 1.00 0.00 H new ATOM 881 N ARG A 58 -17.534 27.966 -13.268 1.00 0.00 N ATOM 882 CA ARG A 58 -17.170 26.668 -12.658 1.00 0.00 C ATOM 883 C ARG A 58 -17.152 26.672 -11.119 1.00 0.00 C ATOM 884 O ARG A 58 -17.143 25.605 -10.507 1.00 0.00 O ATOM 885 CB ARG A 58 -15.839 26.143 -13.233 1.00 0.00 C ATOM 886 CG ARG A 58 -15.779 26.142 -14.773 1.00 0.00 C ATOM 887 CD ARG A 58 -14.534 25.416 -15.301 1.00 0.00 C ATOM 888 NE ARG A 58 -14.657 23.949 -15.167 1.00 0.00 N ATOM 889 CZ ARG A 58 -13.694 23.078 -14.928 1.00 0.00 C ATOM 890 NH1 ARG A 58 -12.451 23.418 -14.752 1.00 0.00 N ATOM 891 NH2 ARG A 58 -13.952 21.809 -14.847 1.00 0.00 N ATOM 0 H ARG A 58 -16.761 28.414 -13.760 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.971 25.981 -12.932 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.023 26.754 -12.848 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.675 25.128 -12.872 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.674 25.662 -15.170 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.780 27.170 -15.136 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.380 25.674 -16.349 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.655 25.759 -14.756 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.596 23.565 -15.271 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.180 24.400 -14.796 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.747 22.702 -14.570 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.908 21.474 -14.968 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.199 21.146 -14.662 1.00 0.00 H new ATOM 905 N ASN A 59 -17.220 27.852 -10.492 1.00 0.00 N ATOM 906 CA ASN A 59 -17.456 28.020 -9.048 1.00 0.00 C ATOM 907 C ASN A 59 -18.890 27.613 -8.621 1.00 0.00 C ATOM 908 O ASN A 59 -19.164 27.388 -7.442 1.00 0.00 O ATOM 909 CB ASN A 59 -17.181 29.500 -8.725 1.00 0.00 C ATOM 910 CG ASN A 59 -17.356 29.932 -7.277 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.136 29.191 -6.330 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.685 31.187 -7.066 1.00 0.00 N ATOM 0 H ASN A 59 -17.110 28.739 -10.983 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.794 27.359 -8.488 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.159 29.729 -9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.839 30.110 -9.343 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.757 31.542 -6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.869 31.806 -7.856 1.00 0.00 H new ATOM 919 N GLY A 60 -19.816 27.512 -9.580 1.00 0.00 N ATOM 920 CA GLY A 60 -21.246 27.270 -9.355 1.00 0.00 C ATOM 921 C GLY A 60 -22.068 28.556 -9.190 1.00 0.00 C ATOM 922 O GLY A 60 -23.220 28.491 -8.757 1.00 0.00 O ATOM 0 H GLY A 60 -19.583 27.599 -10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.645 26.698 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.366 26.655 -8.463 1.00 0.00 H new ATOM 926 N MET A 61 -21.490 29.720 -9.521 1.00 0.00 N ATOM 927 CA MET A 61 -22.130 31.036 -9.454 1.00 0.00 C ATOM 928 C MET A 61 -22.302 31.651 -10.850 1.00 0.00 C ATOM 929 O MET A 61 -21.471 31.454 -11.739 1.00 0.00 O ATOM 930 CB MET A 61 -21.304 31.930 -8.513 1.00 0.00 C ATOM 931 CG MET A 61 -21.982 33.260 -8.154 1.00 0.00 C ATOM 932 SD MET A 61 -23.653 33.155 -7.450 1.00 0.00 S ATOM 933 CE MET A 61 -23.278 32.446 -5.823 1.00 0.00 C ATOM 0 H MET A 61 -20.527 29.769 -9.855 1.00 0.00 H new ATOM 0 HA MET A 61 -23.138 30.938 -9.052 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.099 31.380 -7.595 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.342 32.140 -8.981 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.345 33.786 -7.443 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.029 33.873 -9.054 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.203 32.317 -5.260 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.793 31.478 -5.951 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.613 33.116 -5.279 1.00 0.00 H new ATOM 943 N GLU A 62 -23.371 32.421 -11.047 1.00 0.00 N ATOM 944 CA GLU A 62 -23.629 33.170 -12.282 1.00 0.00 C ATOM 945 C GLU A 62 -22.591 34.292 -12.457 1.00 0.00 C ATOM 946 O GLU A 62 -22.566 35.264 -11.696 1.00 0.00 O ATOM 947 CB GLU A 62 -25.062 33.726 -12.288 1.00 0.00 C ATOM 948 CG GLU A 62 -26.113 32.610 -12.377 1.00 0.00 C ATOM 949 CD GLU A 62 -27.539 33.193 -12.416 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.149 33.393 -11.338 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.065 33.450 -13.527 1.00 0.00 O ATOM 0 H GLU A 62 -24.097 32.546 -10.342 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.533 32.491 -13.129 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.228 34.309 -11.382 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.183 34.406 -13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.937 32.011 -13.270 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.013 31.943 -11.521 1.00 0.00 H new ATOM 958 N GLY A 63 -21.705 34.133 -13.441 1.00 0.00 N ATOM 959 CA GLY A 63 -20.686 35.117 -13.802 1.00 0.00 C ATOM 960 C GLY A 63 -21.187 36.146 -14.820 1.00 0.00 C ATOM 961 O GLY A 63 -21.989 35.820 -15.695 1.00 0.00 O ATOM 0 H GLY A 63 -21.676 33.296 -14.023 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.353 35.635 -12.903 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.818 34.600 -14.212 1.00 0.00 H new ATOM 965 N THR A 64 -20.670 37.375 -14.761 1.00 0.00 N ATOM 966 CA THR A 64 -20.960 38.440 -15.741 1.00 0.00 C ATOM 967 C THR A 64 -19.761 38.727 -16.641 1.00 0.00 C ATOM 968 O THR A 64 -18.626 38.758 -16.169 1.00 0.00 O ATOM 969 CB THR A 64 -21.413 39.735 -15.049 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.542 39.487 -14.237 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.808 40.839 -16.035 1.00 0.00 C ATOM 0 H THR A 64 -20.029 37.669 -14.024 1.00 0.00 H new ATOM 0 HA THR A 64 -21.776 38.073 -16.364 1.00 0.00 H new ATOM 0 HB THR A 64 -20.556 40.070 -14.465 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.820 40.319 -13.800 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.118 41.726 -15.483 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.955 41.085 -16.667 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.633 40.493 -16.658 1.00 0.00 H new ATOM 979 N LEU A 65 -20.017 38.914 -17.939 1.00 0.00 N ATOM 980 CA LEU A 65 -19.019 39.034 -19.005 1.00 0.00 C ATOM 981 C LEU A 65 -18.072 40.231 -18.768 1.00 0.00 C ATOM 982 O LEU A 65 -18.524 41.377 -18.689 1.00 0.00 O ATOM 983 CB LEU A 65 -19.808 39.119 -20.329 1.00 0.00 C ATOM 984 CG LEU A 65 -19.067 38.954 -21.670 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.049 39.301 -22.793 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.832 39.831 -21.866 1.00 0.00 C ATOM 0 H LEU A 65 -20.971 38.989 -18.291 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.352 38.172 -19.032 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.589 38.359 -20.292 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.307 40.088 -20.349 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.711 37.924 -21.680 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.552 39.193 -23.757 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.905 38.628 -22.749 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.390 40.329 -22.673 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.394 39.629 -22.843 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.118 40.881 -21.806 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.101 39.610 -21.088 1.00 0.00 H new