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= 0.992 K(o=0.98,f=-0.0032) USER MOD Set 1.2: A 59 ASN : amide:sc=-0.00755 X(o=0.98,f=0.98) USER MOD Single : A 29 GLN : amide:sc= 0.603 K(o=0.6,f=0.054) USER MOD Single : A 33 TYR OH : rot -165:sc= 0.565 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.424 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.56 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 -14.288 31.039 -29.568 1.00 0.00 N ATOM 438 CA GLN A 29 -14.229 32.302 -28.828 1.00 0.00 C ATOM 439 C GLN A 29 -14.121 32.002 -27.330 1.00 0.00 C ATOM 440 O GLN A 29 -15.068 31.532 -26.706 1.00 0.00 O ATOM 441 CB GLN A 29 -15.499 33.144 -29.065 1.00 0.00 C ATOM 442 CG GLN A 29 -15.849 33.424 -30.537 1.00 0.00 C ATOM 443 CD GLN A 29 -17.232 32.897 -30.894 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.092 33.607 -31.396 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.475 31.631 -30.637 1.00 0.00 N ATOM 0 HA GLN A 29 -13.361 32.862 -29.177 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.343 32.634 -28.601 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.381 34.098 -28.551 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.809 34.497 -30.723 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.104 32.960 -31.183 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.751 31.047 -30.218 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.388 31.232 -30.856 1.00 0.00 H new ATOM 454 N ILE A 30 -12.970 32.279 -26.738 1.00 0.00 N ATOM 455 CA ILE A 30 -12.758 32.172 -25.290 1.00 0.00 C ATOM 456 C ILE A 30 -13.159 33.510 -24.652 1.00 0.00 C ATOM 457 O ILE A 30 -12.451 34.507 -24.806 1.00 0.00 O ATOM 458 CB ILE A 30 -11.298 31.791 -24.947 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.677 30.716 -25.868 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.230 31.359 -23.471 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.437 29.392 -25.964 1.00 0.00 C ATOM 0 H ILE A 30 -12.143 32.588 -27.249 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.376 31.369 -24.888 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.692 32.680 -25.119 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.587 31.134 -26.871 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.666 30.507 -25.518 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.205 31.088 -23.218 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.555 32.183 -22.835 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.882 30.500 -23.313 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.908 28.717 -26.637 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.505 28.939 -24.975 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.440 29.575 -26.349 1.00 0.00 H new ATOM 473 N ALA A 31 -14.290 33.543 -23.950 1.00 0.00 N ATOM 474 CA ALA A 31 -14.707 34.678 -23.126 1.00 0.00 C ATOM 475 C ALA A 31 -14.333 34.462 -21.650 1.00 0.00 C ATOM 476 O ALA A 31 -14.026 33.345 -21.226 1.00 0.00 O ATOM 477 CB ALA A 31 -16.211 34.896 -23.322 1.00 0.00 C ATOM 0 H ALA A 31 -14.954 32.769 -23.937 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.179 35.579 -23.439 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.539 35.739 -22.714 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.415 35.105 -24.372 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.751 33.999 -23.019 1.00 0.00 H new ATOM 483 N ARG A 32 -14.396 35.528 -20.849 1.00 0.00 N ATOM 484 CA ARG A 32 -14.303 35.480 -19.380 1.00 0.00 C ATOM 485 C ARG A 32 -15.593 35.982 -18.740 1.00 0.00 C ATOM 486 O ARG A 32 -16.299 36.806 -19.323 1.00 0.00 O ATOM 487 CB ARG A 32 -13.065 36.256 -18.888 1.00 0.00 C ATOM 488 CG ARG A 32 -11.825 35.348 -18.867 1.00 0.00 C ATOM 489 CD ARG A 32 -10.511 36.121 -18.668 1.00 0.00 C ATOM 490 NE ARG A 32 -10.044 36.138 -17.265 1.00 0.00 N ATOM 491 CZ ARG A 32 -10.284 37.037 -16.326 1.00 0.00 C ATOM 492 NH1 ARG A 32 -11.090 38.045 -16.498 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.703 36.933 -15.167 1.00 0.00 N ATOM 0 H ARG A 32 -14.516 36.475 -21.209 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.176 34.443 -19.070 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.884 37.111 -19.539 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.250 36.649 -17.889 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.933 34.615 -18.067 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.774 34.792 -19.803 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.738 35.676 -19.295 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.647 37.147 -19.010 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.459 35.351 -16.984 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.570 38.168 -17.390 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.242 38.712 -15.741 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.064 36.159 -14.984 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.886 37.625 -14.441 1.00 0.00 H new ATOM 507 N TYR A 33 -15.857 35.516 -17.520 1.00 0.00 N ATOM 508 CA TYR A 33 -16.974 35.953 -16.681 1.00 0.00 C ATOM 509 C TYR A 33 -16.557 36.036 -15.205 1.00 0.00 C ATOM 510 O TYR A 33 -15.806 35.194 -14.714 1.00 0.00 O ATOM 511 CB TYR A 33 -18.173 35.014 -16.840 1.00 0.00 C ATOM 512 CG TYR A 33 -18.777 34.926 -18.224 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.191 34.115 -19.214 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.956 35.632 -18.504 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.806 33.994 -20.474 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.564 35.526 -19.764 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.013 34.673 -20.736 1.00 0.00 C ATOM 518 OH TYR A 33 -20.685 34.471 -21.894 1.00 0.00 O ATOM 0 H TYR A 33 -15.282 34.802 -17.074 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.266 36.950 -17.011 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.866 34.013 -16.536 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.951 35.333 -16.147 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.272 33.587 -19.007 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.398 36.261 -17.745 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.353 33.381 -21.240 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.453 36.098 -19.986 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.350 35.181 -22.015 1.00 0.00 H new ATOM 528 N ARG A 34 -17.056 37.055 -14.498 1.00 0.00 N ATOM 529 CA ARG A 34 -16.785 37.357 -13.082 1.00 0.00 C ATOM 530 C ARG A 34 -18.003 37.033 -12.219 1.00 0.00 C ATOM 531 O ARG A 34 -19.090 37.543 -12.482 1.00 0.00 O ATOM 532 CB ARG A 34 -16.378 38.835 -12.964 1.00 0.00 C ATOM 533 CG ARG A 34 -16.008 39.226 -11.524 1.00 0.00 C ATOM 534 CD ARG A 34 -15.587 40.699 -11.410 1.00 0.00 C ATOM 535 NE ARG A 34 -16.657 41.641 -11.805 1.00 0.00 N ATOM 536 CZ ARG A 34 -17.763 41.945 -11.145 1.00 0.00 C ATOM 537 NH1 ARG A 34 -18.088 41.384 -10.015 1.00 0.00 N ATOM 538 NH2 ARG A 34 -18.582 42.839 -11.620 1.00 0.00 N ATOM 0 H ARG A 34 -17.695 37.730 -14.918 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.967 36.736 -12.717 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.530 39.029 -13.620 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.198 39.464 -13.309 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.860 39.042 -10.870 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.195 38.590 -11.175 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.289 40.907 -10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.711 40.870 -12.036 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.526 42.116 -12.698 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.479 40.677 -9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.952 41.651 -9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -18.371 43.306 -12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.434 43.072 -11.110 1.00 0.00 H new ATOM 552 N THR A 35 -17.817 36.209 -11.193 1.00 0.00 N ATOM 553 CA THR A 35 -18.877 35.765 -10.266 1.00 0.00 C ATOM 554 C THR A 35 -19.175 36.817 -9.198 1.00 0.00 C ATOM 555 O THR A 35 -18.513 37.855 -9.105 1.00 0.00 O ATOM 556 CB THR A 35 -18.536 34.447 -9.562 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.413 34.624 -8.753 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.289 33.297 -10.517 1.00 0.00 C ATOM 0 H THR A 35 -16.903 35.815 -10.969 1.00 0.00 H new ATOM 0 HA THR A 35 -19.756 35.613 -10.892 1.00 0.00 H new ATOM 0 HB THR A 35 -19.408 34.180 -8.965 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.631 34.806 -9.315 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.053 32.397 -9.949 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.182 33.124 -11.117 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.453 33.542 -11.173 1.00 0.00 H new ATOM 566 N ASP A 36 -20.144 36.525 -8.331 1.00 0.00 N ATOM 567 CA ASP A 36 -20.567 37.447 -7.280 1.00 0.00 C ATOM 568 C ASP A 36 -19.557 37.581 -6.125 1.00 0.00 C ATOM 569 O ASP A 36 -19.602 38.578 -5.400 1.00 0.00 O ATOM 570 CB ASP A 36 -21.964 37.035 -6.792 1.00 0.00 C ATOM 571 CG ASP A 36 -22.605 38.092 -5.873 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.903 39.211 -6.357 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.853 37.795 -4.680 1.00 0.00 O ATOM 0 H ASP A 36 -20.657 35.643 -8.338 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.611 38.448 -7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.611 36.867 -7.653 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.893 36.088 -6.257 1.00 0.00 H new ATOM 578 N ASN A 37 -18.595 36.653 -5.985 1.00 0.00 N ATOM 579 CA ASN A 37 -17.491 36.822 -5.024 1.00 0.00 C ATOM 580 C ASN A 37 -16.260 37.531 -5.644 1.00 0.00 C ATOM 581 O ASN A 37 -15.223 37.659 -4.989 1.00 0.00 O ATOM 582 CB ASN A 37 -17.101 35.491 -4.367 1.00 0.00 C ATOM 583 CG ASN A 37 -18.231 34.542 -4.021 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.306 34.911 -3.567 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.991 33.267 -4.209 1.00 0.00 N ATOM 0 H ASN A 37 -18.559 35.785 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.866 37.480 -4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.414 34.971 -5.034 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.551 35.712 -3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.703 32.574 -3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.093 32.968 -4.588 1.00 0.00 H new ATOM 592 N GLY A 38 -16.340 37.940 -6.919 1.00 0.00 N ATOM 593 CA GLY A 38 -15.202 38.395 -7.728 1.00 0.00 C ATOM 594 C GLY A 38 -14.359 37.271 -8.330 1.00 0.00 C ATOM 595 O GLY A 38 -13.291 37.546 -8.875 1.00 0.00 O ATOM 0 H GLY A 38 -17.223 37.964 -7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.576 39.024 -8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.560 39.021 -7.108 1.00 0.00 H new ATOM 599 N GLU A 39 -14.800 36.014 -8.234 1.00 0.00 N ATOM 600 CA GLU A 39 -14.066 34.876 -8.803 1.00 0.00 C ATOM 601 C GLU A 39 -14.253 34.896 -10.325 1.00 0.00 C ATOM 602 O GLU A 39 -15.382 34.826 -10.807 1.00 0.00 O ATOM 603 CB GLU A 39 -14.534 33.528 -8.212 1.00 0.00 C ATOM 604 CG GLU A 39 -14.902 33.600 -6.726 1.00 0.00 C ATOM 605 CD GLU A 39 -14.690 32.317 -5.902 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.717 31.559 -6.132 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.499 32.105 -4.964 1.00 0.00 O ATOM 0 H GLU A 39 -15.668 35.756 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.010 34.973 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.399 33.176 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.744 32.789 -8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.319 34.399 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.951 33.886 -6.648 1.00 0.00 H new ATOM 614 N GLU A 40 -13.174 35.006 -11.088 1.00 0.00 N ATOM 615 CA GLU A 40 -13.229 35.077 -12.554 1.00 0.00 C ATOM 616 C GLU A 40 -12.850 33.738 -13.201 1.00 0.00 C ATOM 617 O GLU A 40 -11.827 33.133 -12.861 1.00 0.00 O ATOM 618 CB GLU A 40 -12.287 36.160 -13.082 1.00 0.00 C ATOM 619 CG GLU A 40 -12.628 37.573 -12.604 1.00 0.00 C ATOM 620 CD GLU A 40 -11.645 38.565 -13.247 1.00 0.00 C ATOM 621 OE1 GLU A 40 -10.431 38.521 -12.935 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.031 39.304 -14.179 1.00 0.00 O ATOM 0 H GLU A 40 -12.227 35.049 -10.711 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.258 35.320 -12.818 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.268 35.921 -12.776 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.305 36.142 -14.172 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.652 37.827 -12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.564 37.629 -11.517 1.00 0.00 H new ATOM 629 N PHE A 41 -13.661 33.303 -14.166 1.00 0.00 N ATOM 630 CA PHE A 41 -13.469 32.075 -14.942 1.00 0.00 C ATOM 631 C PHE A 41 -13.579 32.318 -16.447 1.00 0.00 C ATOM 632 O PHE A 41 -14.134 33.319 -16.901 1.00 0.00 O ATOM 633 CB PHE A 41 -14.494 31.025 -14.505 1.00 0.00 C ATOM 634 CG PHE A 41 -14.339 30.583 -13.064 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.949 31.302 -12.018 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.535 29.466 -12.763 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.745 30.900 -10.692 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.329 29.072 -11.431 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.932 29.794 -10.392 1.00 0.00 C ATOM 0 H PHE A 41 -14.500 33.814 -14.439 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.459 31.715 -14.746 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.497 31.429 -14.646 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.407 30.154 -15.154 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.570 32.158 -12.237 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.073 28.908 -13.564 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.218 31.447 -9.890 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.709 28.216 -11.208 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.772 29.501 -9.365 1.00 0.00 H new ATOM 649 N GLU A 42 -13.084 31.361 -17.225 1.00 0.00 N ATOM 650 CA GLU A 42 -13.042 31.393 -18.686 1.00 0.00 C ATOM 651 C GLU A 42 -14.024 30.377 -19.284 1.00 0.00 C ATOM 652 O GLU A 42 -14.066 29.215 -18.861 1.00 0.00 O ATOM 653 CB GLU A 42 -11.618 31.132 -19.218 1.00 0.00 C ATOM 654 CG GLU A 42 -10.477 31.799 -18.430 1.00 0.00 C ATOM 655 CD GLU A 42 -9.825 30.831 -17.416 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.506 30.375 -16.465 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.617 30.520 -17.565 1.00 0.00 O ATOM 0 H GLU A 42 -12.684 30.505 -16.840 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.341 32.394 -18.997 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.446 30.056 -19.229 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.568 31.473 -20.252 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.719 32.159 -19.126 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.864 32.670 -17.901 1.00 0.00 H new ATOM 664 N VAL A 43 -14.793 30.801 -20.288 1.00 0.00 N ATOM 665 CA VAL A 43 -15.778 29.972 -21.004 1.00 0.00 C ATOM 666 C VAL A 43 -15.494 29.973 -22.518 1.00 0.00 C ATOM 667 O VAL A 43 -15.699 30.995 -23.180 1.00 0.00 O ATOM 668 CB VAL A 43 -17.223 30.423 -20.715 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.230 29.452 -21.342 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.525 30.519 -19.213 1.00 0.00 C ATOM 0 H VAL A 43 -14.750 31.758 -20.640 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.677 28.951 -20.635 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.320 31.416 -21.154 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.244 29.789 -21.126 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.081 29.420 -22.421 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.083 28.456 -20.925 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.556 30.841 -19.069 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.382 29.543 -18.750 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.852 31.242 -18.752 1.00 0.00 H new ATOM 680 N PRO A 44 -15.035 28.843 -23.090 1.00 0.00 N ATOM 681 CA PRO A 44 -14.950 28.625 -24.530 1.00 0.00 C ATOM 682 C PRO A 44 -16.337 28.475 -25.177 1.00 0.00 C ATOM 683 O PRO A 44 -17.161 27.664 -24.749 1.00 0.00 O ATOM 684 CB PRO A 44 -14.113 27.354 -24.723 1.00 0.00 C ATOM 685 CG PRO A 44 -13.401 27.149 -23.388 1.00 0.00 C ATOM 686 CD PRO A 44 -14.381 27.754 -22.391 1.00 0.00 C ATOM 0 HA PRO A 44 -14.491 29.485 -25.018 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.743 26.500 -24.971 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.399 27.471 -25.538 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.216 26.094 -23.185 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.435 27.653 -23.363 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.107 27.012 -22.057 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.862 28.115 -21.503 1.00 0.00 H new ATOM 694 N PHE A 45 -16.560 29.229 -26.248 1.00 0.00 N ATOM 695 CA PHE A 45 -17.724 29.157 -27.145 1.00 0.00 C ATOM 696 C PHE A 45 -17.305 28.779 -28.569 1.00 0.00 C ATOM 697 O PHE A 45 -16.299 29.274 -29.068 1.00 0.00 O ATOM 698 CB PHE A 45 -18.449 30.508 -27.170 1.00 0.00 C ATOM 699 CG PHE A 45 -19.294 30.785 -25.942 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.695 31.326 -24.790 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.678 30.515 -25.948 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.473 31.605 -23.657 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.453 30.781 -24.803 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.846 31.324 -23.656 1.00 0.00 C ATOM 0 H PHE A 45 -15.899 29.951 -26.536 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.393 28.385 -26.765 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.710 31.302 -27.275 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.087 30.548 -28.053 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.634 31.527 -24.778 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.144 30.104 -26.831 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.012 32.038 -22.782 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.512 30.568 -24.805 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.438 31.524 -22.775 1.00 0.00 H new ATOM 714 N ALA A 46 -18.098 27.975 -29.270 1.00 0.00 N ATOM 715 CA ALA A 46 -17.871 27.643 -30.679 1.00 0.00 C ATOM 716 C ALA A 46 -18.401 28.760 -31.596 1.00 0.00 C ATOM 717 O ALA A 46 -19.295 29.508 -31.205 1.00 0.00 O ATOM 718 CB ALA A 46 -18.526 26.289 -30.980 1.00 0.00 C ATOM 0 H ALA A 46 -18.926 27.529 -28.875 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.802 27.563 -30.875 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.364 26.031 -32.027 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.084 25.522 -30.344 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.596 26.351 -30.783 1.00 0.00 H new ATOM 724 N ASP A 47 -17.892 28.866 -32.824 1.00 0.00 N ATOM 725 CA ASP A 47 -18.307 29.881 -33.815 1.00 0.00 C ATOM 726 C ASP A 47 -19.804 29.807 -34.196 1.00 0.00 C ATOM 727 O ASP A 47 -20.381 30.779 -34.683 1.00 0.00 O ATOM 728 CB ASP A 47 -17.405 29.753 -35.048 1.00 0.00 C ATOM 729 CG ASP A 47 -17.617 30.885 -36.064 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.292 32.054 -35.748 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.039 30.612 -37.213 1.00 0.00 O ATOM 0 H ASP A 47 -17.165 28.241 -33.172 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.188 30.864 -33.358 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.362 29.748 -34.730 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.595 28.796 -35.533 1.00 0.00 H new ATOM 736 N ASP A 48 -20.451 28.660 -33.952 1.00 0.00 N ATOM 737 CA ASP A 48 -21.905 28.471 -34.102 1.00 0.00 C ATOM 738 C ASP A 48 -22.731 29.190 -33.005 1.00 0.00 C ATOM 739 O ASP A 48 -23.945 29.354 -33.142 1.00 0.00 O ATOM 740 CB ASP A 48 -22.182 26.961 -34.107 1.00 0.00 C ATOM 741 CG ASP A 48 -23.636 26.618 -34.480 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.051 26.904 -35.629 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.355 26.020 -33.642 1.00 0.00 O ATOM 0 H ASP A 48 -19.970 27.817 -33.638 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.223 28.926 -35.040 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.507 26.476 -34.812 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.960 26.553 -33.121 1.00 0.00 H new ATOM 748 N ALA A 49 -22.072 29.642 -31.933 1.00 0.00 N ATOM 749 CA ALA A 49 -22.630 30.394 -30.807 1.00 0.00 C ATOM 750 C ALA A 49 -22.012 31.804 -30.683 1.00 0.00 C ATOM 751 O ALA A 49 -20.928 32.076 -31.204 1.00 0.00 O ATOM 752 CB ALA A 49 -22.413 29.574 -29.528 1.00 0.00 C ATOM 0 H ALA A 49 -21.071 29.481 -31.823 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.696 30.550 -30.974 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.821 30.116 -28.675 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.917 28.612 -29.622 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.346 29.411 -29.377 1.00 0.00 H new ATOM 758 N GLU A 50 -22.681 32.698 -29.949 1.00 0.00 N ATOM 759 CA GLU A 50 -22.183 34.036 -29.589 1.00 0.00 C ATOM 760 C GLU A 50 -22.369 34.309 -28.090 1.00 0.00 C ATOM 761 O GLU A 50 -23.388 33.939 -27.506 1.00 0.00 O ATOM 762 CB GLU A 50 -22.882 35.131 -30.413 1.00 0.00 C ATOM 763 CG GLU A 50 -22.373 35.177 -31.856 1.00 0.00 C ATOM 764 CD GLU A 50 -23.137 36.232 -32.679 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.718 37.416 -32.696 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.161 35.889 -33.319 1.00 0.00 O ATOM 0 H GLU A 50 -23.611 32.509 -29.576 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.118 34.058 -29.818 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.957 34.953 -30.414 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.719 36.100 -29.940 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.308 35.408 -31.862 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.490 34.197 -32.318 1.00 0.00 H new ATOM 773 N ILE A 51 -21.377 34.975 -27.491 1.00 0.00 N ATOM 774 CA ILE A 51 -21.217 35.255 -26.055 1.00 0.00 C ATOM 775 C ILE A 51 -22.431 36.019 -25.499 1.00 0.00 C ATOM 776 O ILE A 51 -22.629 37.196 -25.827 1.00 0.00 O ATOM 777 CB ILE A 51 -19.921 36.056 -25.763 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.705 35.606 -26.605 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.571 36.012 -24.262 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.285 34.144 -26.443 1.00 0.00 C ATOM 0 H ILE A 51 -20.606 35.363 -28.035 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.144 34.289 -25.555 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.140 37.082 -26.058 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -18.929 35.785 -27.657 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.855 36.239 -26.348 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.658 36.581 -24.084 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.388 36.446 -23.685 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.419 34.978 -23.954 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.424 33.940 -27.079 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.021 33.955 -25.403 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.111 33.494 -26.732 1.00 0.00 H new ATOM 792 N PRO A 52 -23.253 35.375 -24.660 1.00 0.00 N ATOM 793 CA PRO A 52 -24.310 36.038 -23.913 1.00 0.00 C ATOM 794 C PRO A 52 -23.714 36.912 -22.798 1.00 0.00 C ATOM 795 O PRO A 52 -22.659 36.597 -22.240 1.00 0.00 O ATOM 796 CB PRO A 52 -25.181 34.903 -23.377 1.00 0.00 C ATOM 797 CG PRO A 52 -24.209 33.735 -23.222 1.00 0.00 C ATOM 798 CD PRO A 52 -23.156 33.974 -24.298 1.00 0.00 C ATOM 0 HA PRO A 52 -24.901 36.721 -24.523 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.642 35.168 -22.425 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -25.990 34.661 -24.066 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.764 33.718 -22.227 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.712 32.778 -23.363 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.159 33.737 -23.926 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.333 33.336 -25.164 1.00 0.00 H new ATOM 806 N GLY A 53 -24.410 38.000 -22.458 1.00 0.00 N ATOM 807 CA GLY A 53 -24.017 38.981 -21.431 1.00 0.00 C ATOM 808 C GLY A 53 -23.621 38.383 -20.073 1.00 0.00 C ATOM 809 O GLY A 53 -22.771 38.942 -19.376 1.00 0.00 O ATOM 0 H GLY A 53 -25.297 38.235 -22.904 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.179 39.565 -21.811 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.844 39.674 -21.278 1.00 0.00 H new ATOM 813 N THR A 54 -24.195 37.235 -19.697 1.00 0.00 N ATOM 814 CA THR A 54 -23.773 36.456 -18.527 1.00 0.00 C ATOM 815 C THR A 54 -23.789 34.939 -18.799 1.00 0.00 C ATOM 816 O THR A 54 -24.452 34.468 -19.728 1.00 0.00 O ATOM 817 CB THR A 54 -24.695 36.724 -17.317 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.030 36.368 -17.619 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.778 38.192 -16.905 1.00 0.00 C ATOM 0 H THR A 54 -24.975 36.815 -20.203 1.00 0.00 H new ATOM 0 HA THR A 54 -22.754 36.775 -18.310 1.00 0.00 H new ATOM 0 HB THR A 54 -24.252 36.133 -16.515 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.599 36.543 -16.841 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.445 38.292 -16.049 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.785 38.551 -16.635 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.163 38.782 -17.737 1.00 0.00 H new ATOM 827 N TRP A 55 -23.055 34.163 -17.991 1.00 0.00 N ATOM 828 CA TRP A 55 -22.918 32.701 -18.098 1.00 0.00 C ATOM 829 C TRP A 55 -22.502 32.068 -16.757 1.00 0.00 C ATOM 830 O TRP A 55 -21.790 32.686 -15.966 1.00 0.00 O ATOM 831 CB TRP A 55 -21.886 32.360 -19.179 1.00 0.00 C ATOM 832 CG TRP A 55 -21.842 30.923 -19.592 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.028 29.986 -19.069 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.621 30.235 -20.617 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.212 28.784 -19.717 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.196 28.873 -20.677 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.632 30.633 -21.515 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.747 27.955 -21.584 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.199 29.720 -22.426 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.758 28.384 -22.462 1.00 0.00 C ATOM 0 H TRP A 55 -22.519 34.549 -17.214 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.890 32.290 -18.370 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.093 32.968 -20.060 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.898 32.647 -18.818 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.332 30.153 -18.260 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.686 27.935 -19.512 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.978 31.656 -21.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.399 26.933 -21.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.976 30.047 -23.100 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.196 27.689 -23.163 1.00 0.00 H new ATOM 851 N LEU A 56 -22.937 30.836 -16.473 1.00 0.00 N ATOM 852 CA LEU A 56 -22.599 30.123 -15.234 1.00 0.00 C ATOM 853 C LEU A 56 -21.106 29.735 -15.190 1.00 0.00 C ATOM 854 O LEU A 56 -20.596 29.059 -16.086 1.00 0.00 O ATOM 855 CB LEU A 56 -23.520 28.896 -15.087 1.00 0.00 C ATOM 856 CG LEU A 56 -24.153 28.752 -13.694 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.216 27.655 -13.711 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.122 28.380 -12.632 1.00 0.00 C ATOM 0 H LEU A 56 -23.538 30.301 -17.100 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.764 30.786 -14.385 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.314 28.960 -15.831 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.947 27.996 -15.309 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.590 29.720 -13.447 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.658 27.561 -12.719 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.992 27.912 -14.432 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.757 26.708 -13.995 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.614 28.289 -11.664 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.657 27.430 -12.894 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.358 29.156 -12.579 1.00 0.00 H new ATOM 870 N CYS A 57 -20.407 30.142 -14.131 1.00 0.00 N ATOM 871 CA CYS A 57 -18.980 29.882 -13.933 1.00 0.00 C ATOM 872 C CYS A 57 -18.720 28.566 -13.191 1.00 0.00 C ATOM 873 O CYS A 57 -19.601 28.009 -12.530 1.00 0.00 O ATOM 874 CB CYS A 57 -18.345 31.055 -13.176 1.00 0.00 C ATOM 875 SG CYS A 57 -18.232 32.509 -14.242 1.00 0.00 S ATOM 0 H CYS A 57 -20.826 30.674 -13.369 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.523 29.784 -14.918 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.939 31.290 -12.293 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.351 30.775 -12.827 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.694 33.491 -13.581 1.00 0.00 H new ATOM 881 N ARG A 58 -17.464 28.105 -13.232 1.00 0.00 N ATOM 882 CA ARG A 58 -17.032 26.818 -12.655 1.00 0.00 C ATOM 883 C ARG A 58 -17.110 26.773 -11.118 1.00 0.00 C ATOM 884 O ARG A 58 -17.135 25.688 -10.537 1.00 0.00 O ATOM 885 CB ARG A 58 -15.618 26.448 -13.155 1.00 0.00 C ATOM 886 CG ARG A 58 -15.391 26.683 -14.662 1.00 0.00 C ATOM 887 CD ARG A 58 -13.995 26.225 -15.103 1.00 0.00 C ATOM 888 NE ARG A 58 -13.661 26.737 -16.449 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.605 26.418 -17.176 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.728 25.535 -16.785 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.412 26.993 -18.325 1.00 0.00 N ATOM 0 H ARG A 58 -16.704 28.622 -13.674 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.741 26.069 -13.007 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.885 27.029 -12.595 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.431 25.398 -12.932 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.148 26.145 -15.232 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.515 27.742 -14.888 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.252 26.573 -14.385 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.951 25.136 -15.105 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.313 27.406 -16.859 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.844 25.063 -15.888 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.926 25.317 -17.376 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.075 27.690 -18.665 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.597 26.748 -18.887 1.00 0.00 H new ATOM 905 N ASN A 59 -17.213 27.937 -10.466 1.00 0.00 N ATOM 906 CA ASN A 59 -17.493 28.082 -9.029 1.00 0.00 C ATOM 907 C ASN A 59 -18.936 27.664 -8.637 1.00 0.00 C ATOM 908 O ASN A 59 -19.231 27.423 -7.467 1.00 0.00 O ATOM 909 CB ASN A 59 -17.226 29.558 -8.679 1.00 0.00 C ATOM 910 CG ASN A 59 -17.446 29.968 -7.229 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.244 29.216 -6.287 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.815 31.212 -7.010 1.00 0.00 N ATOM 0 H ASN A 59 -17.100 28.834 -10.938 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.849 27.409 -8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.195 29.790 -8.945 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.865 30.178 -9.308 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.932 31.548 -6.054 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.984 31.840 -7.796 1.00 0.00 H new ATOM 919 N GLY A 60 -19.843 27.571 -9.615 1.00 0.00 N ATOM 920 CA GLY A 60 -21.275 27.315 -9.410 1.00 0.00 C ATOM 921 C GLY A 60 -22.111 28.591 -9.236 1.00 0.00 C ATOM 922 O GLY A 60 -23.276 28.509 -8.843 1.00 0.00 O ATOM 0 H GLY A 60 -19.596 27.674 -10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.660 26.752 -10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.400 26.686 -8.529 1.00 0.00 H new ATOM 926 N MET A 61 -21.528 29.765 -9.520 1.00 0.00 N ATOM 927 CA MET A 61 -22.175 31.077 -9.463 1.00 0.00 C ATOM 928 C MET A 61 -22.345 31.667 -10.870 1.00 0.00 C ATOM 929 O MET A 61 -21.507 31.457 -11.749 1.00 0.00 O ATOM 930 CB MET A 61 -21.348 31.986 -8.540 1.00 0.00 C ATOM 931 CG MET A 61 -22.033 33.316 -8.193 1.00 0.00 C ATOM 932 SD MET A 61 -23.696 33.209 -7.471 1.00 0.00 S ATOM 933 CE MET A 61 -23.298 32.525 -5.839 1.00 0.00 C ATOM 0 H MET A 61 -20.551 29.825 -9.808 1.00 0.00 H new ATOM 0 HA MET A 61 -23.181 30.985 -9.052 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.133 31.449 -7.616 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.391 32.196 -9.017 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.393 33.857 -7.496 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.094 33.915 -9.101 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.215 32.397 -5.265 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.807 31.559 -5.959 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.632 33.207 -5.311 1.00 0.00 H new ATOM 943 N GLU A 62 -23.415 32.427 -11.090 1.00 0.00 N ATOM 944 CA GLU A 62 -23.660 33.143 -12.348 1.00 0.00 C ATOM 945 C GLU A 62 -22.635 34.274 -12.527 1.00 0.00 C ATOM 946 O GLU A 62 -22.643 35.267 -11.793 1.00 0.00 O ATOM 947 CB GLU A 62 -25.102 33.675 -12.396 1.00 0.00 C ATOM 948 CG GLU A 62 -26.132 32.539 -12.483 1.00 0.00 C ATOM 949 CD GLU A 62 -27.566 33.098 -12.567 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.202 33.317 -11.507 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.073 33.318 -13.694 1.00 0.00 O ATOM 0 H GLU A 62 -24.147 32.567 -10.394 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.538 32.447 -13.178 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.297 34.274 -11.506 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.217 34.335 -13.256 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.926 31.923 -13.358 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.040 31.893 -11.610 1.00 0.00 H new ATOM 958 N GLY A 63 -21.725 34.107 -13.488 1.00 0.00 N ATOM 959 CA GLY A 63 -20.716 35.096 -13.853 1.00 0.00 C ATOM 960 C GLY A 63 -21.217 36.104 -14.889 1.00 0.00 C ATOM 961 O GLY A 63 -22.014 35.763 -15.765 1.00 0.00 O ATOM 0 H GLY A 63 -21.670 33.256 -14.048 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.398 35.630 -12.958 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.838 34.584 -14.247 1.00 0.00 H new ATOM 965 N THR A 64 -20.707 37.335 -14.841 1.00 0.00 N ATOM 966 CA THR A 64 -20.991 38.383 -15.838 1.00 0.00 C ATOM 967 C THR A 64 -19.783 38.662 -16.725 1.00 0.00 C ATOM 968 O THR A 64 -18.654 38.707 -16.238 1.00 0.00 O ATOM 969 CB THR A 64 -21.456 39.685 -15.168 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.591 39.444 -14.362 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.845 40.776 -16.172 1.00 0.00 C ATOM 0 H THR A 64 -20.076 37.642 -14.101 1.00 0.00 H new ATOM 0 HA THR A 64 -21.798 38.005 -16.466 1.00 0.00 H new ATOM 0 HB THR A 64 -20.605 40.030 -14.581 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.876 40.281 -13.940 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.164 41.669 -15.634 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.986 41.017 -16.798 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.662 40.419 -16.799 1.00 0.00 H new ATOM 979 N LEU A 65 -20.023 38.827 -18.027 1.00 0.00 N ATOM 980 CA LEU A 65 -19.011 38.992 -19.073 1.00 0.00 C ATOM 981 C LEU A 65 -18.143 40.242 -18.811 1.00 0.00 C ATOM 982 O LEU A 65 -18.660 41.360 -18.734 1.00 0.00 O ATOM 983 CB LEU A 65 -19.776 39.034 -20.413 1.00 0.00 C ATOM 984 CG LEU A 65 -19.001 38.866 -21.735 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.950 39.197 -22.890 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.762 39.743 -21.903 1.00 0.00 C ATOM 0 H LEU A 65 -20.973 38.850 -18.399 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.299 38.167 -19.091 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.537 38.254 -20.379 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.300 39.989 -20.460 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.645 37.836 -21.727 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.423 39.085 -23.837 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.802 38.518 -22.866 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.301 40.224 -22.789 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.300 39.538 -22.869 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.050 40.793 -21.854 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.051 39.524 -21.107 1.00 0.00 H new