USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 267 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 GLN : amide:sc= 0.814 K(o=0.81,f=-0.0048) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.468 USER MOD Single : A 35 THR OG1 : rot -72:sc= 0.29 USER MOD Single : A 37 ASN : amide:sc= 0.697 K(o=0.7,f=-0.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.68 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 61 MET CE :methyl 175:sc= 0 (180deg=-0.0245) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.263 31.071 -29.495 1.00 0.00 N ATOM 438 CA GLN A 29 -14.233 32.371 -28.817 1.00 0.00 C ATOM 439 C GLN A 29 -14.203 32.153 -27.297 1.00 0.00 C ATOM 440 O GLN A 29 -15.215 31.834 -26.674 1.00 0.00 O ATOM 441 CB GLN A 29 -15.489 33.200 -29.160 1.00 0.00 C ATOM 442 CG GLN A 29 -15.774 33.399 -30.659 1.00 0.00 C ATOM 443 CD GLN A 29 -17.170 32.917 -31.028 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.987 33.636 -31.587 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.473 31.675 -30.717 1.00 0.00 N ATOM 0 HA GLN A 29 -13.344 32.907 -29.150 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.354 32.717 -28.706 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.391 34.181 -28.695 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.673 34.454 -30.913 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.033 32.857 -31.247 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.785 31.084 -30.251 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.396 31.304 -30.942 1.00 0.00 H new ATOM 454 N ILE A 30 -13.038 32.306 -26.684 1.00 0.00 N ATOM 455 CA ILE A 30 -12.867 32.270 -25.233 1.00 0.00 C ATOM 456 C ILE A 30 -13.243 33.643 -24.668 1.00 0.00 C ATOM 457 O ILE A 30 -12.511 34.623 -24.833 1.00 0.00 O ATOM 458 CB ILE A 30 -11.436 31.835 -24.859 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.130 30.369 -25.244 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.218 31.950 -23.337 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.235 29.954 -26.717 1.00 0.00 C ATOM 0 H ILE A 30 -12.166 32.462 -27.189 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.527 31.525 -24.788 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.775 32.499 -25.416 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.117 30.145 -24.909 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.803 29.730 -24.672 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.203 31.639 -23.090 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.367 32.984 -23.025 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.930 31.308 -22.818 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.989 28.897 -26.816 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.251 30.125 -27.072 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.539 30.545 -27.312 1.00 0.00 H new ATOM 473 N ALA A 31 -14.382 33.697 -23.987 1.00 0.00 N ATOM 474 CA ALA A 31 -14.798 34.821 -23.153 1.00 0.00 C ATOM 475 C ALA A 31 -14.456 34.561 -21.677 1.00 0.00 C ATOM 476 O ALA A 31 -14.275 33.417 -21.254 1.00 0.00 O ATOM 477 CB ALA A 31 -16.295 35.068 -23.373 1.00 0.00 C ATOM 0 H ALA A 31 -15.063 32.937 -24.000 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.255 35.722 -23.437 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.620 35.906 -22.756 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.475 35.299 -24.423 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.856 34.175 -23.097 1.00 0.00 H new ATOM 483 N ARG A 32 -14.394 35.627 -20.877 1.00 0.00 N ATOM 484 CA ARG A 32 -14.274 35.566 -19.412 1.00 0.00 C ATOM 485 C ARG A 32 -15.558 36.051 -18.745 1.00 0.00 C ATOM 486 O ARG A 32 -16.249 36.918 -19.286 1.00 0.00 O ATOM 487 CB ARG A 32 -13.026 36.345 -18.940 1.00 0.00 C ATOM 488 CG ARG A 32 -11.865 35.376 -18.689 1.00 0.00 C ATOM 489 CD ARG A 32 -10.571 36.073 -18.256 1.00 0.00 C ATOM 490 NE ARG A 32 -9.629 35.098 -17.670 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.437 35.330 -17.155 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.900 36.518 -17.143 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.763 34.347 -16.636 1.00 0.00 N ATOM 0 H ARG A 32 -14.426 36.582 -21.235 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.136 34.529 -19.108 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.740 37.080 -19.692 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.255 36.895 -18.027 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.158 34.661 -17.920 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.675 34.806 -19.598 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.110 36.562 -19.114 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.797 36.852 -17.528 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.938 34.126 -17.663 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.405 37.310 -17.542 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.975 36.656 -16.735 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.157 33.406 -16.629 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.840 34.517 -16.235 1.00 0.00 H new ATOM 507 N TYR A 33 -15.845 35.527 -17.554 1.00 0.00 N ATOM 508 CA TYR A 33 -16.966 35.947 -16.714 1.00 0.00 C ATOM 509 C TYR A 33 -16.561 36.006 -15.234 1.00 0.00 C ATOM 510 O TYR A 33 -15.790 35.170 -14.759 1.00 0.00 O ATOM 511 CB TYR A 33 -18.169 35.018 -16.888 1.00 0.00 C ATOM 512 CG TYR A 33 -18.762 34.938 -18.276 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.156 34.154 -19.276 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.957 35.621 -18.548 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.766 34.039 -20.539 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.559 35.521 -19.811 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.988 34.696 -20.794 1.00 0.00 C ATOM 518 OH TYR A 33 -20.653 34.499 -21.955 1.00 0.00 O ATOM 0 H TYR A 33 -15.290 34.780 -17.136 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.251 36.948 -17.036 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.872 34.014 -16.585 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.951 35.340 -16.200 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.226 33.643 -19.075 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.416 36.227 -17.781 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.299 33.448 -21.313 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.459 36.077 -20.027 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.323 35.205 -22.072 1.00 0.00 H new ATOM 528 N ARG A 34 -17.083 37.000 -14.508 1.00 0.00 N ATOM 529 CA ARG A 34 -16.797 37.286 -13.095 1.00 0.00 C ATOM 530 C ARG A 34 -18.006 36.977 -12.218 1.00 0.00 C ATOM 531 O ARG A 34 -19.099 37.478 -12.481 1.00 0.00 O ATOM 532 CB ARG A 34 -16.353 38.752 -12.968 1.00 0.00 C ATOM 533 CG ARG A 34 -15.823 39.069 -11.562 1.00 0.00 C ATOM 534 CD ARG A 34 -15.381 40.528 -11.421 1.00 0.00 C ATOM 535 NE ARG A 34 -14.333 40.920 -12.386 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.050 42.131 -12.824 1.00 0.00 C ATOM 537 NH1 ARG A 34 -14.710 43.194 -12.456 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.071 42.271 -13.662 1.00 0.00 N ATOM 0 H ARG A 34 -17.749 37.660 -14.908 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.990 36.643 -12.744 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.577 38.962 -13.704 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.194 39.407 -13.195 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.599 38.854 -10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.981 38.414 -11.337 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.247 41.177 -11.553 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.012 40.692 -10.409 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.760 40.163 -12.758 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -15.486 43.111 -11.799 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.450 44.109 -12.825 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.540 41.455 -13.967 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.831 43.197 -14.016 1.00 0.00 H new ATOM 552 N THR A 35 -17.807 36.171 -11.181 1.00 0.00 N ATOM 553 CA THR A 35 -18.854 35.756 -10.229 1.00 0.00 C ATOM 554 C THR A 35 -19.137 36.848 -9.196 1.00 0.00 C ATOM 555 O THR A 35 -18.464 37.880 -9.139 1.00 0.00 O ATOM 556 CB THR A 35 -18.506 34.442 -9.512 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.345 34.607 -8.760 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.321 33.275 -10.472 1.00 0.00 C ATOM 0 H THR A 35 -16.893 35.773 -10.966 1.00 0.00 H new ATOM 0 HA THR A 35 -19.753 35.588 -10.823 1.00 0.00 H new ATOM 0 HB THR A 35 -19.350 34.202 -8.866 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.572 34.661 -9.360 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.077 32.375 -9.908 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.243 33.114 -11.031 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.511 33.499 -11.166 1.00 0.00 H new ATOM 566 N ASP A 36 -20.116 36.606 -8.323 1.00 0.00 N ATOM 567 CA ASP A 36 -20.525 37.570 -7.294 1.00 0.00 C ATOM 568 C ASP A 36 -19.564 37.588 -6.088 1.00 0.00 C ATOM 569 O ASP A 36 -19.594 38.502 -5.262 1.00 0.00 O ATOM 570 CB ASP A 36 -21.975 37.266 -6.885 1.00 0.00 C ATOM 571 CG ASP A 36 -22.574 38.348 -5.969 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.736 39.506 -6.424 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.923 38.035 -4.804 1.00 0.00 O ATOM 0 H ASP A 36 -20.649 35.737 -8.307 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.475 38.577 -7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.589 37.174 -7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -22.010 36.304 -6.374 1.00 0.00 H new ATOM 578 N ASN A 37 -18.667 36.599 -6.020 1.00 0.00 N ATOM 579 CA ASN A 37 -17.611 36.457 -5.025 1.00 0.00 C ATOM 580 C ASN A 37 -16.249 36.984 -5.556 1.00 0.00 C ATOM 581 O ASN A 37 -15.199 36.740 -4.960 1.00 0.00 O ATOM 582 CB ASN A 37 -17.660 34.978 -4.610 1.00 0.00 C ATOM 583 CG ASN A 37 -16.750 34.608 -3.457 1.00 0.00 C ATOM 584 OD1 ASN A 37 -16.665 35.284 -2.441 1.00 0.00 O ATOM 585 ND2 ASN A 37 -16.092 33.479 -3.559 1.00 0.00 N ATOM 0 H ASN A 37 -18.662 35.836 -6.697 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.752 37.075 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.685 34.725 -4.340 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.397 34.365 -5.472 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.505 33.159 -2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.167 32.920 -4.409 1.00 0.00 H new ATOM 592 N GLY A 38 -16.264 37.697 -6.694 1.00 0.00 N ATOM 593 CA GLY A 38 -15.092 38.256 -7.391 1.00 0.00 C ATOM 594 C GLY A 38 -14.335 37.270 -8.274 1.00 0.00 C ATOM 595 O GLY A 38 -13.304 37.621 -8.848 1.00 0.00 O ATOM 0 H GLY A 38 -17.136 37.910 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.420 39.094 -8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.403 38.657 -6.647 1.00 0.00 H new ATOM 599 N GLU A 39 -14.804 36.029 -8.353 1.00 0.00 N ATOM 600 CA GLU A 39 -14.048 34.919 -8.931 1.00 0.00 C ATOM 601 C GLU A 39 -14.231 34.891 -10.446 1.00 0.00 C ATOM 602 O GLU A 39 -15.353 34.771 -10.935 1.00 0.00 O ATOM 603 CB GLU A 39 -14.424 33.576 -8.288 1.00 0.00 C ATOM 604 CG GLU A 39 -14.700 33.668 -6.785 1.00 0.00 C ATOM 605 CD GLU A 39 -14.281 32.380 -6.054 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.066 32.063 -6.007 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.161 31.705 -5.476 1.00 0.00 O ATOM 0 H GLU A 39 -15.728 35.761 -8.015 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.991 35.079 -8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.308 33.180 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.616 32.864 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.160 34.517 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.761 33.852 -6.620 1.00 0.00 H new ATOM 614 N GLU A 40 -13.140 35.015 -11.190 1.00 0.00 N ATOM 615 CA GLU A 40 -13.168 35.117 -12.655 1.00 0.00 C ATOM 616 C GLU A 40 -12.780 33.786 -13.320 1.00 0.00 C ATOM 617 O GLU A 40 -11.736 33.201 -13.013 1.00 0.00 O ATOM 618 CB GLU A 40 -12.204 36.211 -13.130 1.00 0.00 C ATOM 619 CG GLU A 40 -12.637 37.596 -12.650 1.00 0.00 C ATOM 620 CD GLU A 40 -11.660 38.695 -13.102 1.00 0.00 C ATOM 621 OE1 GLU A 40 -10.440 38.602 -12.824 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.131 39.687 -13.705 1.00 0.00 O ATOM 0 H GLU A 40 -12.199 35.049 -10.797 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.188 35.368 -12.944 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.201 35.996 -12.762 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.153 36.203 -14.219 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.633 37.817 -13.033 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.706 37.597 -11.562 1.00 0.00 H new ATOM 629 N PHE A 41 -13.613 33.326 -14.256 1.00 0.00 N ATOM 630 CA PHE A 41 -13.449 32.075 -15.004 1.00 0.00 C ATOM 631 C PHE A 41 -13.592 32.280 -16.516 1.00 0.00 C ATOM 632 O PHE A 41 -14.144 33.279 -16.976 1.00 0.00 O ATOM 633 CB PHE A 41 -14.473 31.048 -14.508 1.00 0.00 C ATOM 634 CG PHE A 41 -14.302 30.651 -13.053 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.950 31.367 -12.029 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.468 29.570 -12.716 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.779 30.979 -10.695 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.273 29.204 -11.373 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.936 29.908 -10.358 1.00 0.00 C ATOM 0 H PHE A 41 -14.455 33.835 -14.525 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.438 31.708 -14.827 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.475 31.455 -14.647 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.403 30.154 -15.127 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.577 32.212 -12.272 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.972 29.015 -13.498 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.303 31.511 -9.914 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.615 28.384 -11.124 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.799 29.628 -9.324 1.00 0.00 H new ATOM 649 N GLU A 42 -13.117 31.308 -17.295 1.00 0.00 N ATOM 650 CA GLU A 42 -13.105 31.343 -18.761 1.00 0.00 C ATOM 651 C GLU A 42 -14.100 30.346 -19.370 1.00 0.00 C ATOM 652 O GLU A 42 -14.173 29.185 -18.953 1.00 0.00 O ATOM 653 CB GLU A 42 -11.697 31.064 -19.321 1.00 0.00 C ATOM 654 CG GLU A 42 -10.575 31.863 -18.642 1.00 0.00 C ATOM 655 CD GLU A 42 -9.913 31.201 -17.417 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.186 30.017 -17.098 1.00 0.00 O ATOM 657 OE2 GLU A 42 -9.117 31.910 -16.757 1.00 0.00 O ATOM 0 H GLU A 42 -12.718 30.450 -16.915 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.408 32.351 -19.043 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.482 30.000 -19.218 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.692 31.289 -20.388 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.801 32.064 -19.383 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.979 32.827 -18.334 1.00 0.00 H new ATOM 664 N VAL A 43 -14.832 30.785 -20.393 1.00 0.00 N ATOM 665 CA VAL A 43 -15.817 29.973 -21.128 1.00 0.00 C ATOM 666 C VAL A 43 -15.533 30.012 -22.641 1.00 0.00 C ATOM 667 O VAL A 43 -15.739 31.051 -23.275 1.00 0.00 O ATOM 668 CB VAL A 43 -17.256 30.433 -20.828 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.271 29.475 -21.460 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.552 30.533 -19.324 1.00 0.00 C ATOM 0 H VAL A 43 -14.759 31.739 -20.747 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.721 28.942 -20.788 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.348 31.430 -21.260 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.282 29.817 -21.237 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.126 29.452 -22.540 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.129 28.474 -21.053 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.581 30.862 -19.177 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.413 29.556 -18.860 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.872 31.252 -18.866 1.00 0.00 H new ATOM 680 N PRO A 44 -15.073 28.899 -23.246 1.00 0.00 N ATOM 681 CA PRO A 44 -14.972 28.741 -24.693 1.00 0.00 C ATOM 682 C PRO A 44 -16.350 28.536 -25.345 1.00 0.00 C ATOM 683 O PRO A 44 -17.099 27.620 -24.997 1.00 0.00 O ATOM 684 CB PRO A 44 -14.044 27.541 -24.937 1.00 0.00 C ATOM 685 CG PRO A 44 -13.371 27.288 -23.589 1.00 0.00 C ATOM 686 CD PRO A 44 -14.400 27.798 -22.585 1.00 0.00 C ATOM 0 HA PRO A 44 -14.568 29.644 -25.151 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.606 26.668 -25.269 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.309 27.760 -25.711 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.153 26.231 -23.440 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.426 27.824 -23.504 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.106 27.013 -22.313 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.920 28.128 -21.664 1.00 0.00 H new ATOM 694 N PHE A 45 -16.646 29.372 -26.336 1.00 0.00 N ATOM 695 CA PHE A 45 -17.810 29.292 -27.233 1.00 0.00 C ATOM 696 C PHE A 45 -17.392 28.911 -28.653 1.00 0.00 C ATOM 697 O PHE A 45 -16.388 29.408 -29.149 1.00 0.00 O ATOM 698 CB PHE A 45 -18.527 30.646 -27.264 1.00 0.00 C ATOM 699 CG PHE A 45 -19.336 30.924 -26.017 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.702 31.459 -24.880 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.715 30.641 -25.984 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.448 31.719 -23.722 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.457 30.891 -24.813 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.820 31.428 -23.681 1.00 0.00 C ATOM 0 H PHE A 45 -16.050 30.171 -26.552 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.479 28.520 -26.852 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.789 31.437 -27.393 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.186 30.680 -28.131 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.643 31.669 -24.900 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.204 30.232 -26.856 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.964 32.146 -22.856 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.514 30.670 -24.785 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.386 31.616 -22.781 1.00 0.00 H new ATOM 714 N ALA A 46 -18.185 28.108 -29.353 1.00 0.00 N ATOM 715 CA ALA A 46 -17.943 27.746 -30.753 1.00 0.00 C ATOM 716 C ALA A 46 -18.482 28.821 -31.711 1.00 0.00 C ATOM 717 O ALA A 46 -19.364 29.597 -31.346 1.00 0.00 O ATOM 718 CB ALA A 46 -18.544 26.361 -31.008 1.00 0.00 C ATOM 0 H ALA A 46 -19.026 27.682 -28.963 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.872 27.697 -30.948 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.373 26.076 -32.046 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.072 25.633 -30.349 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.616 26.388 -30.811 1.00 0.00 H new ATOM 724 N ASP A 47 -17.969 28.877 -32.940 1.00 0.00 N ATOM 725 CA ASP A 47 -18.315 29.886 -33.959 1.00 0.00 C ATOM 726 C ASP A 47 -19.812 29.895 -34.346 1.00 0.00 C ATOM 727 O ASP A 47 -20.320 30.897 -34.855 1.00 0.00 O ATOM 728 CB ASP A 47 -17.426 29.645 -35.189 1.00 0.00 C ATOM 729 CG ASP A 47 -17.628 30.696 -36.293 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.218 31.867 -36.098 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.154 30.346 -37.378 1.00 0.00 O ATOM 0 H ASP A 47 -17.279 28.203 -33.271 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.132 30.873 -33.534 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.381 29.647 -34.881 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.637 28.655 -35.594 1.00 0.00 H new ATOM 736 N ASP A 48 -20.535 28.803 -34.078 1.00 0.00 N ATOM 737 CA ASP A 48 -21.996 28.720 -34.268 1.00 0.00 C ATOM 738 C ASP A 48 -22.815 29.390 -33.142 1.00 0.00 C ATOM 739 O ASP A 48 -24.018 29.623 -33.291 1.00 0.00 O ATOM 740 CB ASP A 48 -22.411 27.259 -34.471 1.00 0.00 C ATOM 741 CG ASP A 48 -22.251 26.394 -33.212 1.00 0.00 C ATOM 742 OD1 ASP A 48 -21.161 25.803 -33.028 1.00 0.00 O ATOM 743 OD2 ASP A 48 -23.217 26.279 -32.420 1.00 0.00 O ATOM 0 H ASP A 48 -20.124 27.941 -33.720 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.230 29.294 -35.165 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -23.452 27.227 -34.794 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.814 26.829 -35.275 1.00 0.00 H new ATOM 748 N ALA A 49 -22.150 29.727 -32.037 1.00 0.00 N ATOM 749 CA ALA A 49 -22.679 30.448 -30.878 1.00 0.00 C ATOM 750 C ALA A 49 -22.087 31.869 -30.754 1.00 0.00 C ATOM 751 O ALA A 49 -21.015 32.168 -31.285 1.00 0.00 O ATOM 752 CB ALA A 49 -22.409 29.612 -29.619 1.00 0.00 C ATOM 0 H ALA A 49 -21.165 29.489 -31.920 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.753 30.584 -31.005 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.797 30.135 -28.745 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.903 28.645 -29.712 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.335 29.462 -29.505 1.00 0.00 H new ATOM 758 N GLU A 50 -22.767 32.743 -30.005 1.00 0.00 N ATOM 759 CA GLU A 50 -22.288 34.086 -29.641 1.00 0.00 C ATOM 760 C GLU A 50 -22.461 34.346 -28.138 1.00 0.00 C ATOM 761 O GLU A 50 -23.465 33.952 -27.543 1.00 0.00 O ATOM 762 CB GLU A 50 -23.013 35.175 -30.449 1.00 0.00 C ATOM 763 CG GLU A 50 -22.521 35.241 -31.898 1.00 0.00 C ATOM 764 CD GLU A 50 -23.300 36.300 -32.701 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.882 37.484 -32.720 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.337 35.960 -33.323 1.00 0.00 O ATOM 0 H GLU A 50 -23.690 32.533 -29.624 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.226 34.127 -29.882 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.085 34.980 -30.439 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.861 36.143 -29.971 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.457 35.478 -31.914 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.637 34.265 -32.369 1.00 0.00 H new ATOM 773 N ILE A 51 -21.474 35.028 -27.549 1.00 0.00 N ATOM 774 CA ILE A 51 -21.303 35.313 -26.117 1.00 0.00 C ATOM 775 C ILE A 51 -22.527 36.050 -25.544 1.00 0.00 C ATOM 776 O ILE A 51 -22.753 37.223 -25.866 1.00 0.00 O ATOM 777 CB ILE A 51 -20.022 36.143 -25.842 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.802 35.720 -26.695 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.663 36.106 -24.343 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.327 34.277 -26.518 1.00 0.00 C ATOM 0 H ILE A 51 -20.715 35.427 -28.101 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.202 34.349 -25.618 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.261 37.164 -26.141 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.048 35.874 -27.746 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.972 36.386 -26.461 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.762 36.694 -24.170 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.485 36.523 -23.762 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.488 35.075 -24.036 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.468 34.095 -27.164 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.041 34.113 -25.479 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.133 33.593 -26.784 1.00 0.00 H new ATOM 792 N PRO A 52 -23.323 35.389 -24.693 1.00 0.00 N ATOM 793 CA PRO A 52 -24.372 36.031 -23.919 1.00 0.00 C ATOM 794 C PRO A 52 -23.765 36.901 -22.808 1.00 0.00 C ATOM 795 O PRO A 52 -22.693 36.598 -22.276 1.00 0.00 O ATOM 796 CB PRO A 52 -25.216 34.880 -23.375 1.00 0.00 C ATOM 797 CG PRO A 52 -24.222 33.728 -23.242 1.00 0.00 C ATOM 798 CD PRO A 52 -23.191 33.990 -24.333 1.00 0.00 C ATOM 0 HA PRO A 52 -24.983 36.712 -24.511 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.665 35.133 -22.415 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.032 34.628 -24.052 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.761 33.713 -22.255 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.711 32.763 -23.380 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.184 33.774 -23.976 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.367 33.348 -25.196 1.00 0.00 H new ATOM 806 N GLY A 53 -24.470 37.974 -22.438 1.00 0.00 N ATOM 807 CA GLY A 53 -24.069 38.943 -21.402 1.00 0.00 C ATOM 808 C GLY A 53 -23.640 38.328 -20.061 1.00 0.00 C ATOM 809 O GLY A 53 -22.786 38.889 -19.371 1.00 0.00 O ATOM 0 H GLY A 53 -25.368 38.204 -22.864 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.245 39.543 -21.788 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.902 39.623 -21.222 1.00 0.00 H new ATOM 813 N THR A 54 -24.192 37.167 -19.693 1.00 0.00 N ATOM 814 CA THR A 54 -23.754 36.385 -18.530 1.00 0.00 C ATOM 815 C THR A 54 -23.741 34.870 -18.808 1.00 0.00 C ATOM 816 O THR A 54 -24.404 34.393 -19.735 1.00 0.00 O ATOM 817 CB THR A 54 -24.681 36.628 -17.318 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.010 36.248 -17.623 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.795 38.093 -16.901 1.00 0.00 C ATOM 0 H THR A 54 -24.966 36.738 -20.201 1.00 0.00 H new ATOM 0 HA THR A 54 -22.739 36.720 -18.315 1.00 0.00 H new ATOM 0 HB THR A 54 -24.227 36.042 -16.519 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.583 36.407 -16.844 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.464 38.176 -16.044 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.809 38.472 -16.631 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.194 38.677 -17.730 1.00 0.00 H new ATOM 827 N TRP A 55 -22.987 34.101 -18.010 1.00 0.00 N ATOM 828 CA TRP A 55 -22.840 32.640 -18.124 1.00 0.00 C ATOM 829 C TRP A 55 -22.400 31.992 -16.797 1.00 0.00 C ATOM 830 O TRP A 55 -21.671 32.597 -16.008 1.00 0.00 O ATOM 831 CB TRP A 55 -21.826 32.313 -19.226 1.00 0.00 C ATOM 832 CG TRP A 55 -21.790 30.880 -19.652 1.00 0.00 C ATOM 833 CD1 TRP A 55 -20.985 29.928 -19.134 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.575 30.204 -20.681 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.172 28.735 -19.799 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.158 28.841 -20.756 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.589 30.618 -21.569 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.717 27.936 -21.671 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.164 29.716 -22.486 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.730 28.378 -22.539 1.00 0.00 C ATOM 0 H TRP A 55 -22.443 34.491 -17.240 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.817 32.227 -18.377 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.049 32.929 -20.097 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.832 32.598 -18.880 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.295 30.079 -18.317 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.647 27.882 -19.607 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.930 31.642 -21.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.373 26.913 -21.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.943 30.054 -23.153 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.175 27.693 -23.245 1.00 0.00 H new ATOM 851 N LEU A 56 -22.826 30.754 -16.526 1.00 0.00 N ATOM 852 CA LEU A 56 -22.502 30.030 -15.288 1.00 0.00 C ATOM 853 C LEU A 56 -21.006 29.660 -15.215 1.00 0.00 C ATOM 854 O LEU A 56 -20.467 29.010 -16.113 1.00 0.00 O ATOM 855 CB LEU A 56 -23.410 28.789 -15.166 1.00 0.00 C ATOM 856 CG LEU A 56 -24.070 28.620 -13.788 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.089 27.481 -13.832 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.052 28.293 -12.697 1.00 0.00 C ATOM 0 H LEU A 56 -23.412 30.219 -17.166 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.693 30.685 -14.438 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.190 28.849 -15.925 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.820 27.899 -15.385 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.550 29.570 -13.552 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.552 27.369 -12.851 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.857 27.708 -14.572 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.586 26.553 -14.104 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.565 28.183 -11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.541 27.363 -12.944 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.323 29.100 -12.626 1.00 0.00 H new ATOM 870 N CYS A 57 -20.340 30.059 -14.133 1.00 0.00 N ATOM 871 CA CYS A 57 -18.910 29.836 -13.907 1.00 0.00 C ATOM 872 C CYS A 57 -18.622 28.569 -13.089 1.00 0.00 C ATOM 873 O CYS A 57 -19.503 28.026 -12.417 1.00 0.00 O ATOM 874 CB CYS A 57 -18.325 31.072 -13.222 1.00 0.00 C ATOM 875 SG CYS A 57 -18.240 32.424 -14.414 1.00 0.00 S ATOM 0 H CYS A 57 -20.791 30.560 -13.367 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.434 29.678 -14.875 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.944 31.359 -12.372 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.331 30.851 -12.833 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.745 33.479 -13.838 1.00 0.00 H new ATOM 881 N ARG A 58 -17.354 28.134 -13.085 1.00 0.00 N ATOM 882 CA ARG A 58 -16.914 26.881 -12.437 1.00 0.00 C ATOM 883 C ARG A 58 -17.045 26.895 -10.906 1.00 0.00 C ATOM 884 O ARG A 58 -17.103 25.829 -10.293 1.00 0.00 O ATOM 885 CB ARG A 58 -15.469 26.520 -12.841 1.00 0.00 C ATOM 886 CG ARG A 58 -15.150 26.675 -14.338 1.00 0.00 C ATOM 887 CD ARG A 58 -13.700 26.276 -14.650 1.00 0.00 C ATOM 888 NE ARG A 58 -13.294 26.802 -15.968 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.244 27.552 -16.250 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.289 27.831 -15.412 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.117 28.102 -17.413 1.00 0.00 N ATOM 0 H ARG A 58 -16.594 28.644 -13.535 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.596 26.113 -12.802 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.782 27.147 -12.273 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.274 25.488 -12.549 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.832 26.057 -14.922 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.317 27.708 -14.641 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.036 26.662 -13.877 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.605 25.190 -14.640 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.896 26.557 -16.754 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.320 27.462 -14.462 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.509 28.419 -15.705 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.833 27.959 -18.126 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.301 28.679 -17.618 1.00 0.00 H new ATOM 905 N ASN A 59 -17.150 28.081 -10.291 1.00 0.00 N ATOM 906 CA ASN A 59 -17.456 28.232 -8.861 1.00 0.00 C ATOM 907 C ASN A 59 -18.909 27.807 -8.507 1.00 0.00 C ATOM 908 O ASN A 59 -19.237 27.532 -7.352 1.00 0.00 O ATOM 909 CB ASN A 59 -17.200 29.703 -8.487 1.00 0.00 C ATOM 910 CG ASN A 59 -17.473 30.079 -7.035 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.360 29.287 -6.109 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.813 31.325 -6.795 1.00 0.00 N ATOM 0 H ASN A 59 -17.024 28.970 -10.775 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.813 27.567 -8.285 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.160 29.940 -8.714 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.817 30.333 -9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.983 31.632 -5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.907 31.986 -7.566 1.00 0.00 H new ATOM 919 N GLY A 60 -19.783 27.709 -9.513 1.00 0.00 N ATOM 920 CA GLY A 60 -21.213 27.392 -9.374 1.00 0.00 C ATOM 921 C GLY A 60 -22.117 28.625 -9.225 1.00 0.00 C ATOM 922 O GLY A 60 -23.284 28.491 -8.848 1.00 0.00 O ATOM 0 H GLY A 60 -19.507 27.853 -10.484 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.534 26.822 -10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.349 26.748 -8.505 1.00 0.00 H new ATOM 926 N MET A 61 -21.589 29.819 -9.519 1.00 0.00 N ATOM 927 CA MET A 61 -22.296 31.103 -9.531 1.00 0.00 C ATOM 928 C MET A 61 -22.429 31.625 -10.970 1.00 0.00 C ATOM 929 O MET A 61 -21.515 31.460 -11.782 1.00 0.00 O ATOM 930 CB MET A 61 -21.522 32.081 -8.632 1.00 0.00 C ATOM 931 CG MET A 61 -22.255 33.399 -8.343 1.00 0.00 C ATOM 932 SD MET A 61 -23.807 33.271 -7.412 1.00 0.00 S ATOM 933 CE MET A 61 -23.180 32.797 -5.775 1.00 0.00 C ATOM 0 H MET A 61 -20.605 29.920 -9.768 1.00 0.00 H new ATOM 0 HA MET A 61 -23.309 30.990 -9.144 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.302 31.588 -7.685 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.566 32.308 -9.103 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.579 34.052 -7.792 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.466 33.888 -9.294 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.006 32.765 -5.064 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.715 31.813 -5.835 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.443 33.528 -5.442 1.00 0.00 H new ATOM 943 N GLU A 62 -23.537 32.287 -11.294 1.00 0.00 N ATOM 944 CA GLU A 62 -23.702 33.034 -12.545 1.00 0.00 C ATOM 945 C GLU A 62 -22.677 34.180 -12.642 1.00 0.00 C ATOM 946 O GLU A 62 -22.726 35.162 -11.898 1.00 0.00 O ATOM 947 CB GLU A 62 -25.152 33.516 -12.748 1.00 0.00 C ATOM 948 CG GLU A 62 -25.842 34.184 -11.543 1.00 0.00 C ATOM 949 CD GLU A 62 -26.678 33.178 -10.724 1.00 0.00 C ATOM 950 OE1 GLU A 62 -26.088 32.311 -10.037 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.931 33.247 -10.767 1.00 0.00 O ATOM 0 H GLU A 62 -24.358 32.322 -10.689 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.498 32.350 -13.369 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.161 34.222 -13.578 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.754 32.660 -13.051 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.088 34.638 -10.899 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.487 34.989 -11.895 1.00 0.00 H new ATOM 958 N GLY A 63 -21.716 34.028 -13.555 1.00 0.00 N ATOM 959 CA GLY A 63 -20.711 35.035 -13.877 1.00 0.00 C ATOM 960 C GLY A 63 -21.212 36.047 -14.909 1.00 0.00 C ATOM 961 O GLY A 63 -21.974 35.693 -15.811 1.00 0.00 O ATOM 0 H GLY A 63 -21.615 33.175 -14.105 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.422 35.561 -12.967 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.816 34.543 -14.259 1.00 0.00 H new ATOM 965 N THR A 64 -20.739 37.290 -14.836 1.00 0.00 N ATOM 966 CA THR A 64 -21.028 38.338 -15.833 1.00 0.00 C ATOM 967 C THR A 64 -19.818 38.611 -16.719 1.00 0.00 C ATOM 968 O THR A 64 -18.693 38.628 -16.229 1.00 0.00 O ATOM 969 CB THR A 64 -21.487 39.641 -15.162 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.616 39.391 -14.349 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.882 40.729 -16.167 1.00 0.00 C ATOM 0 H THR A 64 -20.137 37.609 -14.077 1.00 0.00 H new ATOM 0 HA THR A 64 -21.840 37.965 -16.458 1.00 0.00 H new ATOM 0 HB THR A 64 -20.636 39.996 -14.581 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.903 40.225 -13.922 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.197 41.624 -15.630 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.027 40.968 -16.800 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.704 40.371 -16.787 1.00 0.00 H new ATOM 979 N LEU A 65 -20.047 38.798 -18.020 1.00 0.00 N ATOM 980 CA LEU A 65 -19.020 38.968 -19.051 1.00 0.00 C ATOM 981 C LEU A 65 -18.139 40.204 -18.759 1.00 0.00 C ATOM 982 O LEU A 65 -18.649 41.325 -18.675 1.00 0.00 O ATOM 983 CB LEU A 65 -19.769 39.032 -20.398 1.00 0.00 C ATOM 984 CG LEU A 65 -18.973 38.898 -21.712 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.913 39.249 -22.869 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.736 39.784 -21.845 1.00 0.00 C ATOM 0 H LEU A 65 -20.993 38.837 -18.401 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.314 38.138 -19.073 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.524 38.246 -20.391 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.300 39.983 -20.432 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.606 37.872 -21.723 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.376 39.163 -23.813 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.761 38.564 -22.870 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.273 40.271 -22.748 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.260 39.602 -22.809 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.030 40.831 -21.778 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.034 39.552 -21.044 1.00 0.00 H new