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 Set 1.1: A 37 ASN : amide:sc= 0.995 K(o=0.97,f=-0.0053) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0248 X(o=0.97,f=1) USER MOD Single : A 29 GLN : amide:sc= 0.754 K(o=0.75,f=0.077) USER MOD Single : A 33 TYR OH : rot 20:sc= 0.254 USER MOD Single : A 35 THR OG1 : rot -65:sc= 0.308 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.6 USER MOD Single : A 61 MET CE :methyl 174:sc= 0 (180deg=-0.0822) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.390 31.236 -29.565 1.00 0.00 N ATOM 438 CA GLN A 29 -14.435 32.527 -28.875 1.00 0.00 C ATOM 439 C GLN A 29 -14.353 32.283 -27.362 1.00 0.00 C ATOM 440 O GLN A 29 -15.316 31.859 -26.729 1.00 0.00 O ATOM 441 CB GLN A 29 -15.732 33.279 -29.240 1.00 0.00 C ATOM 442 CG GLN A 29 -16.014 33.423 -30.750 1.00 0.00 C ATOM 443 CD GLN A 29 -17.353 32.813 -31.143 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.194 33.435 -31.776 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.576 31.567 -30.795 1.00 0.00 N ATOM 0 HA GLN A 29 -13.592 33.144 -29.185 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.573 32.762 -28.779 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.690 34.275 -28.799 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.003 34.479 -31.021 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.216 32.941 -31.315 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.872 31.051 -30.267 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.453 31.115 -31.053 1.00 0.00 H new ATOM 454 N ILE A 30 -13.184 32.512 -26.777 1.00 0.00 N ATOM 455 CA ILE A 30 -12.947 32.332 -25.338 1.00 0.00 C ATOM 456 C ILE A 30 -13.348 33.624 -24.613 1.00 0.00 C ATOM 457 O ILE A 30 -12.636 34.625 -24.690 1.00 0.00 O ATOM 458 CB ILE A 30 -11.477 31.947 -25.033 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.838 30.945 -26.022 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.395 31.428 -23.584 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.562 29.607 -26.189 1.00 0.00 C ATOM 0 H ILE A 30 -12.361 32.831 -27.288 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.556 31.503 -24.979 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.884 32.853 -25.160 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.772 31.423 -26.999 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.818 30.744 -25.695 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.366 31.153 -23.354 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.724 32.209 -22.899 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.038 30.555 -23.473 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.022 28.988 -26.906 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.606 29.095 -25.228 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.574 29.784 -26.552 1.00 0.00 H new ATOM 473 N ALA A 31 -14.467 33.620 -23.898 1.00 0.00 N ATOM 474 CA ALA A 31 -14.876 34.736 -23.045 1.00 0.00 C ATOM 475 C ALA A 31 -14.474 34.499 -21.580 1.00 0.00 C ATOM 476 O ALA A 31 -14.224 33.371 -21.157 1.00 0.00 O ATOM 477 CB ALA A 31 -16.382 34.960 -23.204 1.00 0.00 C ATOM 0 H ALA A 31 -15.122 32.838 -23.892 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.356 35.641 -23.357 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.695 35.790 -22.571 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.607 35.192 -24.245 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.917 34.057 -22.909 1.00 0.00 H new ATOM 483 N ARG A 32 -14.429 35.575 -20.793 1.00 0.00 N ATOM 484 CA ARG A 32 -14.266 35.549 -19.331 1.00 0.00 C ATOM 485 C ARG A 32 -15.529 36.056 -18.651 1.00 0.00 C ATOM 486 O ARG A 32 -16.191 36.952 -19.169 1.00 0.00 O ATOM 487 CB ARG A 32 -13.036 36.373 -18.912 1.00 0.00 C ATOM 488 CG ARG A 32 -11.767 35.515 -18.864 1.00 0.00 C ATOM 489 CD ARG A 32 -10.502 36.382 -18.847 1.00 0.00 C ATOM 490 NE ARG A 32 -10.290 37.067 -17.553 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.135 37.497 -17.075 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.026 37.432 -17.756 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.080 38.027 -15.892 1.00 0.00 N ATOM 0 H ARG A 32 -14.507 36.522 -21.164 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.102 34.520 -19.012 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.893 37.195 -19.613 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.212 36.817 -17.932 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.788 34.882 -17.977 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.743 34.851 -19.728 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.637 35.757 -19.067 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.568 37.127 -19.640 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.115 37.223 -16.974 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.027 37.037 -18.697 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.156 37.776 -17.349 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.928 38.112 -15.331 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.189 38.359 -15.523 1.00 0.00 H new ATOM 507 N TYR A 33 -15.824 35.538 -17.462 1.00 0.00 N ATOM 508 CA TYR A 33 -16.940 35.984 -16.630 1.00 0.00 C ATOM 509 C TYR A 33 -16.544 36.043 -15.150 1.00 0.00 C ATOM 510 O TYR A 33 -15.802 35.187 -14.665 1.00 0.00 O ATOM 511 CB TYR A 33 -18.149 35.063 -16.810 1.00 0.00 C ATOM 512 CG TYR A 33 -18.715 34.966 -18.207 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.108 34.131 -19.163 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.879 35.681 -18.530 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.685 33.994 -20.436 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.451 35.559 -19.807 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.877 34.681 -20.748 1.00 0.00 C ATOM 518 OH TYR A 33 -20.507 34.458 -21.928 1.00 0.00 O ATOM 0 H TYR A 33 -15.284 34.782 -17.041 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.209 36.990 -16.953 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.867 34.061 -16.485 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.941 35.404 -16.143 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.201 33.597 -18.919 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.336 36.327 -17.795 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.216 33.363 -21.176 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.327 36.135 -20.067 1.00 0.00 H new ATOM 0 HH TYR A 33 -20.213 33.600 -22.299 1.00 0.00 H new ATOM 528 N ARG A 34 -17.054 37.052 -14.433 1.00 0.00 N ATOM 529 CA ARG A 34 -16.790 37.311 -13.008 1.00 0.00 C ATOM 530 C ARG A 34 -18.010 37.008 -12.143 1.00 0.00 C ATOM 531 O ARG A 34 -19.087 37.550 -12.390 1.00 0.00 O ATOM 532 CB ARG A 34 -16.302 38.761 -12.835 1.00 0.00 C ATOM 533 CG ARG A 34 -15.688 38.960 -11.441 1.00 0.00 C ATOM 534 CD ARG A 34 -14.824 40.226 -11.363 1.00 0.00 C ATOM 535 NE ARG A 34 -13.813 40.099 -10.297 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.093 41.055 -9.744 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.232 42.313 -10.058 1.00 0.00 N ATOM 538 NH2 ARG A 34 -12.209 40.747 -8.839 1.00 0.00 N ATOM 0 H ARG A 34 -17.687 37.738 -14.844 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.004 36.638 -12.665 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.563 38.996 -13.601 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.135 39.450 -12.974 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.485 39.020 -10.700 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.081 38.092 -11.186 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.332 40.396 -12.320 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.456 41.093 -11.171 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.651 39.156 -9.944 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.920 42.591 -10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.653 43.019 -9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.079 39.773 -8.564 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.647 41.479 -8.405 1.00 0.00 H new ATOM 552 N THR A 35 -17.834 36.151 -11.142 1.00 0.00 N ATOM 553 CA THR A 35 -18.887 35.708 -10.209 1.00 0.00 C ATOM 554 C THR A 35 -19.163 36.755 -9.131 1.00 0.00 C ATOM 555 O THR A 35 -18.484 37.781 -9.036 1.00 0.00 O ATOM 556 CB THR A 35 -18.550 34.384 -9.511 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.419 34.548 -8.710 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.316 33.236 -10.472 1.00 0.00 C ATOM 0 H THR A 35 -16.928 35.727 -10.944 1.00 0.00 H new ATOM 0 HA THR A 35 -19.772 35.564 -10.829 1.00 0.00 H new ATOM 0 HB THR A 35 -19.421 34.124 -8.909 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.643 34.743 -9.276 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.083 32.332 -9.909 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.214 33.071 -11.067 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.483 33.478 -11.132 1.00 0.00 H new ATOM 566 N ASP A 36 -20.128 36.476 -8.255 1.00 0.00 N ATOM 567 CA ASP A 36 -20.524 37.406 -7.199 1.00 0.00 C ATOM 568 C ASP A 36 -19.509 37.509 -6.045 1.00 0.00 C ATOM 569 O ASP A 36 -19.528 38.503 -5.316 1.00 0.00 O ATOM 570 CB ASP A 36 -21.928 37.032 -6.708 1.00 0.00 C ATOM 571 CG ASP A 36 -22.537 38.099 -5.778 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.804 39.232 -6.250 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.791 37.797 -4.587 1.00 0.00 O ATOM 0 H ASP A 36 -20.655 35.603 -8.257 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.542 38.408 -7.627 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.583 36.889 -7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.882 36.079 -6.180 1.00 0.00 H new ATOM 578 N ASN A 37 -18.572 36.555 -5.908 1.00 0.00 N ATOM 579 CA ASN A 37 -17.462 36.698 -4.948 1.00 0.00 C ATOM 580 C ASN A 37 -16.232 37.415 -5.560 1.00 0.00 C ATOM 581 O ASN A 37 -15.188 37.523 -4.912 1.00 0.00 O ATOM 582 CB ASN A 37 -17.072 35.354 -4.318 1.00 0.00 C ATOM 583 CG ASN A 37 -18.202 34.394 -3.996 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.277 34.750 -3.532 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.958 33.125 -4.214 1.00 0.00 N ATOM 0 H ASN A 37 -18.559 35.686 -6.442 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.833 37.340 -4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.381 34.850 -4.994 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.526 35.557 -3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.667 32.425 -3.997 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.059 32.838 -4.601 1.00 0.00 H new ATOM 592 N GLY A 38 -16.323 37.852 -6.824 1.00 0.00 N ATOM 593 CA GLY A 38 -15.202 38.342 -7.635 1.00 0.00 C ATOM 594 C GLY A 38 -14.386 37.253 -8.326 1.00 0.00 C ATOM 595 O GLY A 38 -13.376 37.573 -8.954 1.00 0.00 O ATOM 0 H GLY A 38 -17.210 37.874 -7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.591 39.021 -8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.537 38.924 -6.996 1.00 0.00 H new ATOM 599 N GLU A 39 -14.790 35.986 -8.220 1.00 0.00 N ATOM 600 CA GLU A 39 -14.063 34.853 -8.808 1.00 0.00 C ATOM 601 C GLU A 39 -14.247 34.875 -10.328 1.00 0.00 C ATOM 602 O GLU A 39 -15.375 34.803 -10.813 1.00 0.00 O ATOM 603 CB GLU A 39 -14.514 33.494 -8.226 1.00 0.00 C ATOM 604 CG GLU A 39 -14.875 33.549 -6.735 1.00 0.00 C ATOM 605 CD GLU A 39 -14.644 32.259 -5.929 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.639 31.540 -6.144 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.466 32.006 -5.014 1.00 0.00 O ATOM 0 H GLU A 39 -15.636 35.712 -7.721 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.008 34.962 -8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.378 33.138 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.717 32.765 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.297 34.349 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.926 33.823 -6.648 1.00 0.00 H new ATOM 614 N GLU A 40 -13.164 34.979 -11.089 1.00 0.00 N ATOM 615 CA GLU A 40 -13.214 35.034 -12.556 1.00 0.00 C ATOM 616 C GLU A 40 -12.832 33.691 -13.186 1.00 0.00 C ATOM 617 O GLU A 40 -11.819 33.079 -12.829 1.00 0.00 O ATOM 618 CB GLU A 40 -12.260 36.102 -13.100 1.00 0.00 C ATOM 619 CG GLU A 40 -12.784 37.517 -12.875 1.00 0.00 C ATOM 620 CD GLU A 40 -11.836 38.557 -13.498 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.523 38.440 -14.708 1.00 0.00 O ATOM 622 OE2 GLU A 40 -11.379 39.478 -12.782 1.00 0.00 O ATOM 0 H GLU A 40 -12.219 35.028 -10.710 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.243 35.280 -12.820 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.288 35.996 -12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.107 35.939 -14.167 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.777 37.616 -13.313 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.886 37.706 -11.806 1.00 0.00 H new ATOM 629 N PHE A 41 -13.637 33.265 -14.162 1.00 0.00 N ATOM 630 CA PHE A 41 -13.438 32.046 -14.946 1.00 0.00 C ATOM 631 C PHE A 41 -13.506 32.317 -16.453 1.00 0.00 C ATOM 632 O PHE A 41 -14.042 33.333 -16.897 1.00 0.00 O ATOM 633 CB PHE A 41 -14.486 31.002 -14.540 1.00 0.00 C ATOM 634 CG PHE A 41 -14.367 30.541 -13.098 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.967 31.264 -12.045 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.612 29.387 -12.807 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.787 30.839 -10.723 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.426 28.974 -11.477 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.005 29.708 -10.433 1.00 0.00 C ATOM 0 H PHE A 41 -14.475 33.778 -14.437 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.439 31.665 -14.735 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.481 31.419 -14.697 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.396 30.137 -15.197 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.562 32.140 -12.258 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.173 28.816 -13.612 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.254 31.386 -9.918 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.839 28.094 -11.260 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.851 29.405 -9.408 1.00 0.00 H new ATOM 649 N GLU A 42 -13.000 31.372 -17.244 1.00 0.00 N ATOM 650 CA GLU A 42 -12.991 31.414 -18.706 1.00 0.00 C ATOM 651 C GLU A 42 -13.960 30.372 -19.282 1.00 0.00 C ATOM 652 O GLU A 42 -13.966 29.213 -18.855 1.00 0.00 O ATOM 653 CB GLU A 42 -11.580 31.184 -19.282 1.00 0.00 C ATOM 654 CG GLU A 42 -10.444 31.979 -18.616 1.00 0.00 C ATOM 655 CD GLU A 42 -9.690 31.142 -17.561 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.695 30.466 -17.921 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.073 31.160 -16.366 1.00 0.00 O ATOM 0 H GLU A 42 -12.570 30.526 -16.871 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.315 32.413 -18.998 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.347 30.122 -19.207 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.597 31.432 -20.343 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.743 32.316 -19.379 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.855 32.871 -18.144 1.00 0.00 H new ATOM 664 N VAL A 43 -14.759 30.775 -20.270 1.00 0.00 N ATOM 665 CA VAL A 43 -15.741 29.934 -20.976 1.00 0.00 C ATOM 666 C VAL A 43 -15.504 29.981 -22.497 1.00 0.00 C ATOM 667 O VAL A 43 -15.761 31.011 -23.128 1.00 0.00 O ATOM 668 CB VAL A 43 -17.186 30.348 -20.639 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.190 29.375 -21.269 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.446 30.391 -19.127 1.00 0.00 C ATOM 0 H VAL A 43 -14.744 31.733 -20.618 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.602 28.908 -20.635 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.317 31.351 -21.046 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.204 29.686 -21.018 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.067 29.376 -22.352 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.013 28.370 -20.885 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.479 30.688 -18.944 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.271 29.404 -18.700 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.773 31.112 -18.662 1.00 0.00 H new ATOM 680 N PRO A 44 -15.030 28.882 -23.114 1.00 0.00 N ATOM 681 CA PRO A 44 -14.974 28.720 -24.562 1.00 0.00 C ATOM 682 C PRO A 44 -16.370 28.587 -25.190 1.00 0.00 C ATOM 683 O PRO A 44 -17.179 27.749 -24.786 1.00 0.00 O ATOM 684 CB PRO A 44 -14.134 27.462 -24.818 1.00 0.00 C ATOM 685 CG PRO A 44 -13.363 27.244 -23.518 1.00 0.00 C ATOM 686 CD PRO A 44 -14.321 27.794 -22.468 1.00 0.00 C ATOM 0 HA PRO A 44 -14.531 29.602 -25.025 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.765 26.605 -25.053 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.458 27.601 -25.662 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.140 26.190 -23.351 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.411 27.776 -23.517 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.013 27.024 -22.128 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.779 28.146 -21.590 1.00 0.00 H new ATOM 694 N PHE A 45 -16.615 29.382 -26.228 1.00 0.00 N ATOM 695 CA PHE A 45 -17.775 29.300 -27.126 1.00 0.00 C ATOM 696 C PHE A 45 -17.359 28.866 -28.531 1.00 0.00 C ATOM 697 O PHE A 45 -16.353 29.330 -29.067 1.00 0.00 O ATOM 698 CB PHE A 45 -18.504 30.646 -27.182 1.00 0.00 C ATOM 699 CG PHE A 45 -19.327 30.932 -25.943 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.697 31.413 -24.780 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.716 30.709 -25.945 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.448 31.651 -23.620 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.471 30.969 -24.786 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.833 31.433 -23.622 1.00 0.00 C ATOM 0 H PHE A 45 -15.982 30.140 -26.483 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.454 28.546 -26.727 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.772 31.443 -27.316 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.156 30.662 -28.055 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.633 31.599 -24.781 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.203 30.339 -26.835 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.959 32.003 -22.724 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.540 30.812 -24.791 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.410 31.622 -22.729 1.00 0.00 H new ATOM 714 N ALA A 46 -18.163 28.013 -29.157 1.00 0.00 N ATOM 715 CA ALA A 46 -17.885 27.452 -30.480 1.00 0.00 C ATOM 716 C ALA A 46 -18.323 28.395 -31.613 1.00 0.00 C ATOM 717 O ALA A 46 -19.128 29.301 -31.408 1.00 0.00 O ATOM 718 CB ALA A 46 -18.562 26.079 -30.575 1.00 0.00 C ATOM 0 H ALA A 46 -19.041 27.685 -28.755 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.809 27.333 -30.604 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.366 25.644 -31.555 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.164 25.423 -29.801 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.637 26.193 -30.437 1.00 0.00 H new ATOM 724 N ASP A 47 -17.844 28.144 -32.831 1.00 0.00 N ATOM 725 CA ASP A 47 -18.216 28.861 -34.060 1.00 0.00 C ATOM 726 C ASP A 47 -19.736 28.896 -34.326 1.00 0.00 C ATOM 727 O ASP A 47 -20.268 29.815 -34.949 1.00 0.00 O ATOM 728 CB ASP A 47 -17.509 28.156 -35.225 1.00 0.00 C ATOM 729 CG ASP A 47 -18.132 26.801 -35.614 1.00 0.00 C ATOM 730 OD1 ASP A 47 -18.007 25.832 -34.829 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.742 26.707 -36.704 1.00 0.00 O ATOM 0 H ASP A 47 -17.159 27.407 -33.000 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.911 29.902 -33.952 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -17.523 28.813 -36.095 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.463 28.000 -34.960 1.00 0.00 H new ATOM 736 N ASP A 48 -20.435 27.897 -33.801 1.00 0.00 N ATOM 737 CA ASP A 48 -21.896 27.738 -33.845 1.00 0.00 C ATOM 738 C ASP A 48 -22.663 28.697 -32.902 1.00 0.00 C ATOM 739 O ASP A 48 -23.881 28.847 -33.027 1.00 0.00 O ATOM 740 CB ASP A 48 -22.208 26.273 -33.512 1.00 0.00 C ATOM 741 CG ASP A 48 -23.679 25.896 -33.765 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.131 25.958 -34.935 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.378 25.490 -32.804 1.00 0.00 O ATOM 0 H ASP A 48 -19.980 27.131 -33.305 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.240 28.003 -34.845 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.566 25.626 -34.109 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.966 26.085 -32.466 1.00 0.00 H new ATOM 748 N ALA A 49 -21.966 29.347 -31.963 1.00 0.00 N ATOM 749 CA ALA A 49 -22.535 30.151 -30.874 1.00 0.00 C ATOM 750 C ALA A 49 -21.895 31.549 -30.734 1.00 0.00 C ATOM 751 O ALA A 49 -20.776 31.793 -31.191 1.00 0.00 O ATOM 752 CB ALA A 49 -22.393 29.345 -29.574 1.00 0.00 C ATOM 0 H ALA A 49 -20.946 29.327 -31.940 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.583 30.346 -31.103 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.808 29.917 -28.744 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.932 28.402 -29.670 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.339 29.143 -29.384 1.00 0.00 H new ATOM 758 N GLU A 50 -22.595 32.461 -30.047 1.00 0.00 N ATOM 759 CA GLU A 50 -22.089 33.783 -29.641 1.00 0.00 C ATOM 760 C GLU A 50 -22.369 34.094 -28.162 1.00 0.00 C ATOM 761 O GLU A 50 -23.332 33.604 -27.570 1.00 0.00 O ATOM 762 CB GLU A 50 -22.644 34.907 -30.538 1.00 0.00 C ATOM 763 CG GLU A 50 -21.980 34.879 -31.915 1.00 0.00 C ATOM 764 CD GLU A 50 -22.217 36.155 -32.747 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.382 36.593 -32.902 1.00 0.00 O ATOM 766 OE2 GLU A 50 -21.216 36.708 -33.272 1.00 0.00 O ATOM 0 H GLU A 50 -23.557 32.297 -29.749 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.007 33.742 -29.769 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.723 34.793 -30.647 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.472 35.874 -30.066 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.907 34.734 -31.788 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.354 34.019 -32.471 1.00 0.00 H new ATOM 773 N ILE A 51 -21.496 34.928 -27.594 1.00 0.00 N ATOM 774 CA ILE A 51 -21.340 35.291 -26.182 1.00 0.00 C ATOM 775 C ILE A 51 -22.554 36.070 -25.640 1.00 0.00 C ATOM 776 O ILE A 51 -22.769 37.227 -26.025 1.00 0.00 O ATOM 777 CB ILE A 51 -20.053 36.118 -25.960 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.830 35.634 -26.778 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.697 36.153 -24.465 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.367 34.204 -26.499 1.00 0.00 C ATOM 0 H ILE A 51 -20.810 35.416 -28.170 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.267 34.354 -25.630 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.282 37.119 -26.325 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.069 35.718 -27.838 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.997 36.310 -26.585 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.789 36.738 -24.321 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.515 36.609 -23.907 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.535 35.137 -24.106 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.506 33.971 -27.126 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.088 34.110 -25.450 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.177 33.509 -26.722 1.00 0.00 H new ATOM 792 N PRO A 52 -23.356 35.466 -24.754 1.00 0.00 N ATOM 793 CA PRO A 52 -24.357 36.172 -23.967 1.00 0.00 C ATOM 794 C PRO A 52 -23.701 37.086 -22.911 1.00 0.00 C ATOM 795 O PRO A 52 -22.605 36.821 -22.422 1.00 0.00 O ATOM 796 CB PRO A 52 -25.205 35.064 -23.340 1.00 0.00 C ATOM 797 CG PRO A 52 -24.245 33.883 -23.212 1.00 0.00 C ATOM 798 CD PRO A 52 -23.230 34.086 -24.328 1.00 0.00 C ATOM 0 HA PRO A 52 -24.966 36.845 -24.571 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.598 35.365 -22.369 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.061 34.815 -23.967 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.762 33.870 -22.235 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.769 32.933 -23.321 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.219 33.880 -23.975 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.424 33.405 -25.157 1.00 0.00 H new ATOM 806 N GLY A 53 -24.391 38.166 -22.532 1.00 0.00 N ATOM 807 CA GLY A 53 -23.966 39.126 -21.495 1.00 0.00 C ATOM 808 C GLY A 53 -23.533 38.501 -20.157 1.00 0.00 C ATOM 809 O GLY A 53 -22.673 39.055 -19.468 1.00 0.00 O ATOM 0 H GLY A 53 -25.290 38.409 -22.948 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.137 39.715 -21.887 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.787 39.817 -21.305 1.00 0.00 H new ATOM 813 N THR A 54 -24.095 37.347 -19.786 1.00 0.00 N ATOM 814 CA THR A 54 -23.691 36.566 -18.609 1.00 0.00 C ATOM 815 C THR A 54 -23.719 35.049 -18.855 1.00 0.00 C ATOM 816 O THR A 54 -24.386 34.569 -19.776 1.00 0.00 O ATOM 817 CB THR A 54 -24.620 36.849 -17.408 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.958 36.507 -17.718 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.678 38.320 -17.011 1.00 0.00 C ATOM 0 H THR A 54 -24.861 36.919 -20.306 1.00 0.00 H new ATOM 0 HA THR A 54 -22.668 36.877 -18.399 1.00 0.00 H new ATOM 0 HB THR A 54 -24.199 36.254 -16.597 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.531 36.692 -16.944 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.350 38.441 -16.161 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.680 38.662 -16.737 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.046 38.909 -17.851 1.00 0.00 H new ATOM 827 N TRP A 55 -23.001 34.282 -18.022 1.00 0.00 N ATOM 828 CA TRP A 55 -22.891 32.819 -18.108 1.00 0.00 C ATOM 829 C TRP A 55 -22.495 32.175 -16.765 1.00 0.00 C ATOM 830 O TRP A 55 -21.754 32.763 -15.975 1.00 0.00 O ATOM 831 CB TRP A 55 -21.857 32.462 -19.181 1.00 0.00 C ATOM 832 CG TRP A 55 -21.847 31.024 -19.591 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.070 30.068 -19.046 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.641 30.348 -20.613 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.282 28.865 -19.683 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.251 28.974 -20.657 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.644 30.762 -21.515 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.820 28.063 -21.560 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.227 29.855 -22.422 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.815 28.509 -22.448 1.00 0.00 C ATOM 0 H TRP A 55 -22.465 34.674 -17.248 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.872 32.424 -18.371 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.043 33.075 -20.063 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.866 32.727 -18.812 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.381 30.222 -18.229 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.785 28.002 -19.462 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.970 31.792 -21.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.498 27.032 -21.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.995 30.194 -23.102 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.263 27.820 -23.149 1.00 0.00 H new ATOM 851 N LEU A 56 -22.961 30.952 -16.488 1.00 0.00 N ATOM 852 CA LEU A 56 -22.648 30.217 -15.256 1.00 0.00 C ATOM 853 C LEU A 56 -21.169 29.779 -15.212 1.00 0.00 C ATOM 854 O LEU A 56 -20.681 29.080 -16.102 1.00 0.00 O ATOM 855 CB LEU A 56 -23.609 29.020 -15.122 1.00 0.00 C ATOM 856 CG LEU A 56 -24.231 28.868 -13.725 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.339 27.817 -13.757 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.205 28.425 -12.687 1.00 0.00 C ATOM 0 H LEU A 56 -23.574 30.438 -17.121 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.792 30.878 -14.402 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.409 29.126 -15.855 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.070 28.106 -15.369 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.623 29.847 -13.447 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.774 27.716 -12.763 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.112 28.124 -14.462 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.923 26.859 -14.070 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.689 28.330 -11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.785 27.462 -12.978 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.407 29.165 -12.625 1.00 0.00 H new ATOM 870 N CYS A 57 -20.458 30.174 -14.158 1.00 0.00 N ATOM 871 CA CYS A 57 -19.038 29.884 -13.961 1.00 0.00 C ATOM 872 C CYS A 57 -18.806 28.558 -13.230 1.00 0.00 C ATOM 873 O CYS A 57 -19.704 27.998 -12.595 1.00 0.00 O ATOM 874 CB CYS A 57 -18.385 31.048 -13.211 1.00 0.00 C ATOM 875 SG CYS A 57 -18.265 32.472 -14.313 1.00 0.00 S ATOM 0 H CYS A 57 -20.864 30.719 -13.397 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.575 29.774 -14.942 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.973 31.304 -12.330 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.394 30.760 -12.860 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.713 33.465 -13.681 1.00 0.00 H new ATOM 881 N ARG A 58 -17.555 28.083 -13.264 1.00 0.00 N ATOM 882 CA ARG A 58 -17.152 26.772 -12.726 1.00 0.00 C ATOM 883 C ARG A 58 -17.255 26.705 -11.191 1.00 0.00 C ATOM 884 O ARG A 58 -17.414 25.618 -10.641 1.00 0.00 O ATOM 885 CB ARG A 58 -15.724 26.414 -13.194 1.00 0.00 C ATOM 886 CG ARG A 58 -15.478 26.181 -14.702 1.00 0.00 C ATOM 887 CD ARG A 58 -15.945 27.300 -15.650 1.00 0.00 C ATOM 888 NE ARG A 58 -15.297 27.249 -16.975 1.00 0.00 N ATOM 889 CZ ARG A 58 -15.541 26.427 -17.977 1.00 0.00 C ATOM 890 NH1 ARG A 58 -16.362 25.423 -17.925 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.944 26.603 -19.109 1.00 0.00 N ATOM 0 H ARG A 58 -16.780 28.605 -13.672 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.852 26.035 -13.120 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.059 27.214 -12.870 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.419 25.511 -12.665 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.410 26.027 -14.855 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.978 25.257 -14.991 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.025 27.231 -15.778 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.740 28.266 -15.190 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.564 27.940 -17.137 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.872 25.225 -17.064 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.497 24.832 -18.745 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.287 27.375 -19.225 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.129 25.970 -19.887 1.00 0.00 H new ATOM 905 N ASN A 59 -17.260 27.863 -10.519 1.00 0.00 N ATOM 906 CA ASN A 59 -17.542 28.008 -9.082 1.00 0.00 C ATOM 907 C ASN A 59 -18.996 27.621 -8.701 1.00 0.00 C ATOM 908 O ASN A 59 -19.304 27.377 -7.534 1.00 0.00 O ATOM 909 CB ASN A 59 -17.249 29.476 -8.722 1.00 0.00 C ATOM 910 CG ASN A 59 -17.467 29.885 -7.271 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.288 29.123 -6.333 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.802 31.138 -7.043 1.00 0.00 N ATOM 0 H ASN A 59 -17.062 28.754 -10.973 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.912 27.320 -8.518 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.212 29.689 -8.983 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.873 30.111 -9.351 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.911 31.470 -6.085 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.952 31.776 -7.824 1.00 0.00 H new ATOM 919 N GLY A 60 -19.896 27.553 -9.686 1.00 0.00 N ATOM 920 CA GLY A 60 -21.328 27.297 -9.506 1.00 0.00 C ATOM 921 C GLY A 60 -22.163 28.569 -9.313 1.00 0.00 C ATOM 922 O GLY A 60 -23.319 28.474 -8.895 1.00 0.00 O ATOM 0 H GLY A 60 -19.639 27.679 -10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.703 26.755 -10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.466 26.648 -8.641 1.00 0.00 H new ATOM 926 N MET A 61 -21.599 29.749 -9.610 1.00 0.00 N ATOM 927 CA MET A 61 -22.283 31.044 -9.549 1.00 0.00 C ATOM 928 C MET A 61 -22.428 31.671 -10.941 1.00 0.00 C ATOM 929 O MET A 61 -21.572 31.494 -11.810 1.00 0.00 O ATOM 930 CB MET A 61 -21.529 31.966 -8.572 1.00 0.00 C ATOM 931 CG MET A 61 -22.331 33.213 -8.167 1.00 0.00 C ATOM 932 SD MET A 61 -23.988 32.883 -7.496 1.00 0.00 S ATOM 933 CE MET A 61 -24.593 34.576 -7.270 1.00 0.00 C ATOM 0 H MET A 61 -20.627 29.828 -9.907 1.00 0.00 H new ATOM 0 HA MET A 61 -23.297 30.898 -9.178 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.273 31.401 -7.676 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.591 32.279 -9.030 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.759 33.767 -7.423 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.432 33.860 -9.039 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.639 34.551 -6.964 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.002 35.074 -6.501 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.502 35.123 -8.208 1.00 0.00 H new ATOM 943 N GLU A 62 -23.497 32.434 -11.154 1.00 0.00 N ATOM 944 CA GLU A 62 -23.710 33.233 -12.365 1.00 0.00 C ATOM 945 C GLU A 62 -22.638 34.330 -12.504 1.00 0.00 C ATOM 946 O GLU A 62 -22.568 35.271 -11.710 1.00 0.00 O ATOM 947 CB GLU A 62 -25.156 33.762 -12.438 1.00 0.00 C ATOM 948 CG GLU A 62 -25.654 34.555 -11.217 1.00 0.00 C ATOM 949 CD GLU A 62 -27.136 34.944 -11.389 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.425 36.024 -11.962 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.025 34.175 -10.948 1.00 0.00 O ATOM 0 H GLU A 62 -24.256 32.518 -10.478 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.588 32.588 -13.235 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.243 34.399 -13.318 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.823 32.914 -12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.532 33.957 -10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.049 35.453 -11.089 1.00 0.00 H new ATOM 958 N GLY A 63 -21.751 34.166 -13.489 1.00 0.00 N ATOM 959 CA GLY A 63 -20.715 35.135 -13.837 1.00 0.00 C ATOM 960 C GLY A 63 -21.190 36.151 -14.878 1.00 0.00 C ATOM 961 O GLY A 63 -21.953 35.813 -15.784 1.00 0.00 O ATOM 0 H GLY A 63 -21.735 33.334 -14.079 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.398 35.662 -12.937 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.842 34.607 -14.221 1.00 0.00 H new ATOM 965 N THR A 64 -20.690 37.385 -14.803 1.00 0.00 N ATOM 966 CA THR A 64 -20.954 38.436 -15.802 1.00 0.00 C ATOM 967 C THR A 64 -19.736 38.698 -16.675 1.00 0.00 C ATOM 968 O THR A 64 -18.613 38.709 -16.178 1.00 0.00 O ATOM 969 CB THR A 64 -21.416 39.743 -15.144 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.572 39.506 -14.366 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.765 40.841 -16.157 1.00 0.00 C ATOM 0 H THR A 64 -20.084 37.692 -14.042 1.00 0.00 H new ATOM 0 HA THR A 64 -21.761 38.067 -16.435 1.00 0.00 H new ATOM 0 HB THR A 64 -20.578 40.085 -14.537 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.862 40.343 -13.947 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.084 41.738 -15.626 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.888 41.070 -16.762 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.572 40.496 -16.804 1.00 0.00 H new ATOM 979 N LEU A 65 -19.960 38.903 -17.974 1.00 0.00 N ATOM 980 CA LEU A 65 -18.924 39.084 -18.991 1.00 0.00 C ATOM 981 C LEU A 65 -18.021 40.304 -18.706 1.00 0.00 C ATOM 982 O LEU A 65 -18.511 41.433 -18.614 1.00 0.00 O ATOM 983 CB LEU A 65 -19.651 39.181 -20.347 1.00 0.00 C ATOM 984 CG LEU A 65 -18.736 39.138 -21.579 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.230 37.736 -21.843 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.503 39.608 -22.817 1.00 0.00 C ATOM 0 H LEU A 65 -20.903 38.949 -18.360 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.235 38.239 -18.991 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.368 38.363 -20.417 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.223 40.109 -20.370 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.889 39.794 -21.378 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.585 37.741 -22.722 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.664 37.385 -20.980 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.076 37.071 -22.017 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.846 39.574 -23.686 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.360 38.955 -22.984 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.850 40.630 -22.664 1.00 0.00 H new