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= 0.911 K(o=0.78,f=-0.0043) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.136 X(o=0.78,f=1) USER MOD Single : A 29 GLN : amide:sc= 0.425 X(o=0.43,f=0) USER MOD Single : A 33 TYR OH : rot 20:sc= 0.235 USER MOD Single : A 35 THR OG1 : rot -65:sc= 0.186 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 175:sc= 0 (180deg=-0.0372) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.283 31.120 -29.548 1.00 0.00 N ATOM 438 CA GLN A 29 -14.262 32.402 -28.829 1.00 0.00 C ATOM 439 C GLN A 29 -14.198 32.146 -27.313 1.00 0.00 C ATOM 440 O GLN A 29 -15.183 31.741 -26.698 1.00 0.00 O ATOM 441 CB GLN A 29 -15.538 33.221 -29.120 1.00 0.00 C ATOM 442 CG GLN A 29 -15.863 33.456 -30.604 1.00 0.00 C ATOM 443 CD GLN A 29 -17.212 32.859 -30.986 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.085 33.515 -31.537 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.420 31.592 -30.698 1.00 0.00 N ATOM 0 HA GLN A 29 -13.387 32.958 -29.166 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.385 32.713 -28.659 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.443 34.191 -28.631 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.867 34.526 -30.811 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.081 33.015 -31.222 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.690 31.047 -30.239 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.311 31.155 -30.934 1.00 0.00 H new ATOM 454 N ILE A 30 -13.049 32.378 -26.689 1.00 0.00 N ATOM 455 CA ILE A 30 -12.897 32.330 -25.237 1.00 0.00 C ATOM 456 C ILE A 30 -13.262 33.699 -24.659 1.00 0.00 C ATOM 457 O ILE A 30 -12.521 34.673 -24.812 1.00 0.00 O ATOM 458 CB ILE A 30 -11.480 31.874 -24.837 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.153 30.430 -25.271 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.346 31.912 -23.301 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.166 30.089 -26.764 1.00 0.00 C ATOM 0 H ILE A 30 -12.186 32.608 -27.182 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.575 31.587 -24.817 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.794 32.555 -25.340 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.164 30.185 -24.885 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.862 29.767 -24.775 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.345 31.590 -23.015 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.515 32.929 -22.946 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.083 31.244 -22.855 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.916 29.037 -26.899 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.158 30.282 -27.173 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.433 30.706 -27.284 1.00 0.00 H new ATOM 473 N ALA A 31 -14.395 33.750 -23.963 1.00 0.00 N ATOM 474 CA ALA A 31 -14.779 34.864 -23.103 1.00 0.00 C ATOM 475 C ALA A 31 -14.422 34.575 -21.634 1.00 0.00 C ATOM 476 O ALA A 31 -14.258 33.423 -21.225 1.00 0.00 O ATOM 477 CB ALA A 31 -16.274 35.135 -23.292 1.00 0.00 C ATOM 0 H ALA A 31 -15.087 33.001 -23.982 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.223 35.759 -23.382 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.577 35.966 -22.655 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.469 35.387 -24.334 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.842 34.245 -23.021 1.00 0.00 H new ATOM 483 N ARG A 32 -14.329 35.634 -20.825 1.00 0.00 N ATOM 484 CA ARG A 32 -14.183 35.565 -19.361 1.00 0.00 C ATOM 485 C ARG A 32 -15.442 36.088 -18.675 1.00 0.00 C ATOM 486 O ARG A 32 -16.090 36.998 -19.188 1.00 0.00 O ATOM 487 CB ARG A 32 -12.927 36.330 -18.899 1.00 0.00 C ATOM 488 CG ARG A 32 -11.764 35.359 -18.671 1.00 0.00 C ATOM 489 CD ARG A 32 -10.452 36.081 -18.356 1.00 0.00 C ATOM 490 NE ARG A 32 -9.386 35.134 -17.968 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.132 35.436 -17.689 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.699 36.657 -17.745 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.297 34.501 -17.359 1.00 0.00 N ATOM 0 H ARG A 32 -14.353 36.591 -21.176 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.054 34.522 -19.073 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.649 37.071 -19.648 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.142 36.873 -17.978 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.012 34.687 -17.849 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.631 34.741 -19.559 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.132 36.651 -19.228 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.615 36.796 -17.550 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.645 34.149 -17.910 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.333 37.411 -18.010 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.725 36.863 -17.524 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.609 33.531 -17.315 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.328 34.735 -17.144 1.00 0.00 H new ATOM 507 N TYR A 33 -15.754 35.558 -17.496 1.00 0.00 N ATOM 508 CA TYR A 33 -16.879 35.990 -16.671 1.00 0.00 C ATOM 509 C TYR A 33 -16.486 36.034 -15.189 1.00 0.00 C ATOM 510 O TYR A 33 -15.738 35.181 -14.710 1.00 0.00 O ATOM 511 CB TYR A 33 -18.087 35.069 -16.861 1.00 0.00 C ATOM 512 CG TYR A 33 -18.665 34.992 -18.255 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.033 34.222 -19.248 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.869 35.655 -18.542 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.626 34.090 -20.517 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.458 35.539 -19.809 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.864 34.713 -20.781 1.00 0.00 C ATOM 518 OH TYR A 33 -20.515 34.481 -21.947 1.00 0.00 O ATOM 0 H TYR A 33 -15.219 34.798 -17.077 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.154 36.995 -16.992 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.800 34.063 -16.555 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.875 35.396 -16.183 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.094 33.733 -19.037 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.344 36.258 -17.782 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.135 33.513 -21.287 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.364 36.081 -20.038 1.00 0.00 H new ATOM 0 HH TYR A 33 -20.184 33.650 -22.347 1.00 0.00 H new ATOM 528 N ARG A 34 -17.005 37.028 -14.463 1.00 0.00 N ATOM 529 CA ARG A 34 -16.748 37.293 -13.040 1.00 0.00 C ATOM 530 C ARG A 34 -17.981 36.993 -12.193 1.00 0.00 C ATOM 531 O ARG A 34 -19.056 37.526 -12.462 1.00 0.00 O ATOM 532 CB ARG A 34 -16.286 38.749 -12.894 1.00 0.00 C ATOM 533 CG ARG A 34 -15.916 39.105 -11.448 1.00 0.00 C ATOM 534 CD ARG A 34 -15.265 40.492 -11.386 1.00 0.00 C ATOM 535 NE ARG A 34 -13.842 40.423 -11.004 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.248 40.870 -9.916 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.877 41.480 -8.949 1.00 0.00 N ATOM 538 NH2 ARG A 34 -11.966 40.700 -9.811 1.00 0.00 N ATOM 0 H ARG A 34 -17.649 37.706 -14.870 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.961 36.633 -12.674 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.424 38.920 -13.539 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.078 39.414 -13.238 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.809 39.088 -10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.232 38.357 -11.047 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.355 40.978 -12.358 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.802 41.112 -10.668 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.230 39.964 -11.679 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.884 41.633 -9.012 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.362 41.804 -8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.451 40.233 -10.557 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.473 41.033 -8.982 1.00 0.00 H new ATOM 552 N THR A 35 -17.820 36.155 -11.174 1.00 0.00 N ATOM 553 CA THR A 35 -18.890 35.739 -10.249 1.00 0.00 C ATOM 554 C THR A 35 -19.162 36.805 -9.190 1.00 0.00 C ATOM 555 O THR A 35 -18.467 37.821 -9.103 1.00 0.00 O ATOM 556 CB THR A 35 -18.580 34.416 -9.538 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.444 34.569 -8.741 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.360 33.259 -10.493 1.00 0.00 C ATOM 0 H THR A 35 -16.919 35.730 -10.955 1.00 0.00 H new ATOM 0 HA THR A 35 -19.773 35.601 -10.873 1.00 0.00 H new ATOM 0 HB THR A 35 -19.455 34.174 -8.934 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.667 34.749 -9.310 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.145 32.354 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.257 33.107 -11.093 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.519 33.484 -11.149 1.00 0.00 H new ATOM 566 N ASP A 36 -20.142 36.556 -8.323 1.00 0.00 N ATOM 567 CA ASP A 36 -20.531 37.509 -7.285 1.00 0.00 C ATOM 568 C ASP A 36 -19.510 37.628 -6.137 1.00 0.00 C ATOM 569 O ASP A 36 -19.525 38.631 -5.421 1.00 0.00 O ATOM 570 CB ASP A 36 -21.937 37.152 -6.782 1.00 0.00 C ATOM 571 CG ASP A 36 -22.536 38.238 -5.870 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.797 39.363 -6.358 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.790 37.956 -4.673 1.00 0.00 O ATOM 0 H ASP A 36 -20.686 35.693 -8.320 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.547 38.503 -7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.596 36.997 -7.637 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.895 36.209 -6.237 1.00 0.00 H new ATOM 578 N ASN A 37 -18.570 36.676 -5.995 1.00 0.00 N ATOM 579 CA ASN A 37 -17.451 36.835 -5.049 1.00 0.00 C ATOM 580 C ASN A 37 -16.220 37.528 -5.685 1.00 0.00 C ATOM 581 O ASN A 37 -15.176 37.651 -5.040 1.00 0.00 O ATOM 582 CB ASN A 37 -17.065 35.503 -4.394 1.00 0.00 C ATOM 583 CG ASN A 37 -18.197 34.562 -4.029 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.268 34.939 -3.573 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.958 33.284 -4.199 1.00 0.00 N ATOM 0 H ASN A 37 -18.562 35.799 -6.516 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.812 37.499 -4.264 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.391 34.976 -5.069 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.501 35.722 -3.487 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.668 32.595 -3.950 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.062 32.979 -4.580 1.00 0.00 H new ATOM 592 N GLY A 38 -16.307 37.929 -6.961 1.00 0.00 N ATOM 593 CA GLY A 38 -15.175 38.377 -7.783 1.00 0.00 C ATOM 594 C GLY A 38 -14.355 37.249 -8.407 1.00 0.00 C ATOM 595 O GLY A 38 -13.299 37.516 -8.982 1.00 0.00 O ATOM 0 H GLY A 38 -17.194 37.951 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.553 39.017 -8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.516 38.990 -7.167 1.00 0.00 H new ATOM 599 N GLU A 39 -14.800 35.994 -8.296 1.00 0.00 N ATOM 600 CA GLU A 39 -14.072 34.847 -8.852 1.00 0.00 C ATOM 601 C GLU A 39 -14.236 34.850 -10.377 1.00 0.00 C ATOM 602 O GLU A 39 -15.357 34.783 -10.878 1.00 0.00 O ATOM 603 CB GLU A 39 -14.541 33.505 -8.249 1.00 0.00 C ATOM 604 CG GLU A 39 -14.907 33.593 -6.761 1.00 0.00 C ATOM 605 CD GLU A 39 -14.695 32.319 -5.924 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.756 31.527 -6.180 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.466 32.148 -4.947 1.00 0.00 O ATOM 0 H GLU A 39 -15.668 35.744 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.019 34.947 -8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.407 33.149 -8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.752 32.764 -8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.322 34.396 -6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.956 33.881 -6.684 1.00 0.00 H new ATOM 614 N GLU A 40 -13.137 34.938 -11.120 1.00 0.00 N ATOM 615 CA GLU A 40 -13.155 35.025 -12.588 1.00 0.00 C ATOM 616 C GLU A 40 -12.797 33.678 -13.237 1.00 0.00 C ATOM 617 O GLU A 40 -11.777 33.061 -12.911 1.00 0.00 O ATOM 618 CB GLU A 40 -12.172 36.104 -13.067 1.00 0.00 C ATOM 619 CG GLU A 40 -12.770 37.503 -12.921 1.00 0.00 C ATOM 620 CD GLU A 40 -11.714 38.595 -13.165 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.111 38.643 -14.263 1.00 0.00 O ATOM 622 OE2 GLU A 40 -11.504 39.431 -12.252 1.00 0.00 O ATOM 0 H GLU A 40 -12.198 34.952 -10.723 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.168 35.292 -12.890 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.248 36.039 -12.492 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.911 35.924 -14.110 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.591 37.625 -13.628 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.190 37.618 -11.922 1.00 0.00 H new ATOM 629 N PHE A 41 -13.631 33.245 -14.185 1.00 0.00 N ATOM 630 CA PHE A 41 -13.489 32.004 -14.959 1.00 0.00 C ATOM 631 C PHE A 41 -13.549 32.272 -16.466 1.00 0.00 C ATOM 632 O PHE A 41 -14.028 33.318 -16.907 1.00 0.00 O ATOM 633 CB PHE A 41 -14.578 31.004 -14.543 1.00 0.00 C ATOM 634 CG PHE A 41 -14.459 30.527 -13.108 1.00 0.00 C ATOM 635 CD1 PHE A 41 -15.013 31.274 -12.049 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.757 29.339 -12.827 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.834 30.840 -10.730 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.573 28.914 -11.500 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.104 29.673 -10.447 1.00 0.00 C ATOM 0 H PHE A 41 -14.463 33.773 -14.448 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.510 31.577 -14.743 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.555 31.467 -14.682 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.537 30.141 -15.207 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.572 32.175 -12.254 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.356 28.749 -13.638 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.263 31.410 -9.919 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.025 28.007 -11.292 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.953 29.362 -9.424 1.00 0.00 H new ATOM 649 N GLU A 42 -13.087 31.313 -17.269 1.00 0.00 N ATOM 650 CA GLU A 42 -13.119 31.377 -18.731 1.00 0.00 C ATOM 651 C GLU A 42 -14.131 30.376 -19.294 1.00 0.00 C ATOM 652 O GLU A 42 -14.207 29.229 -18.842 1.00 0.00 O ATOM 653 CB GLU A 42 -11.736 31.114 -19.346 1.00 0.00 C ATOM 654 CG GLU A 42 -10.645 32.108 -18.916 1.00 0.00 C ATOM 655 CD GLU A 42 -9.330 31.476 -18.418 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.906 30.403 -18.907 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.682 32.120 -17.557 1.00 0.00 O ATOM 0 H GLU A 42 -12.671 30.452 -16.914 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.423 32.389 -19.000 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.418 30.107 -19.076 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.825 31.140 -20.432 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.418 32.759 -19.760 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.046 32.741 -18.124 1.00 0.00 H new ATOM 664 N VAL A 43 -14.884 30.806 -20.306 1.00 0.00 N ATOM 665 CA VAL A 43 -15.875 29.989 -21.017 1.00 0.00 C ATOM 666 C VAL A 43 -15.561 29.964 -22.523 1.00 0.00 C ATOM 667 O VAL A 43 -15.707 30.993 -23.191 1.00 0.00 O ATOM 668 CB VAL A 43 -17.310 30.480 -20.758 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.328 29.521 -21.385 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.633 30.625 -19.264 1.00 0.00 C ATOM 0 H VAL A 43 -14.822 31.758 -20.666 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.812 28.972 -20.631 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.377 31.466 -21.217 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.337 29.884 -21.192 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.162 29.467 -22.461 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.210 28.529 -20.949 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.659 30.974 -19.146 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.520 29.659 -18.772 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.950 31.345 -18.812 1.00 0.00 H new ATOM 680 N PRO A 44 -15.115 28.821 -23.080 1.00 0.00 N ATOM 681 CA PRO A 44 -14.927 28.645 -24.518 1.00 0.00 C ATOM 682 C PRO A 44 -16.269 28.425 -25.246 1.00 0.00 C ATOM 683 O PRO A 44 -17.011 27.486 -24.953 1.00 0.00 O ATOM 684 CB PRO A 44 -13.979 27.449 -24.656 1.00 0.00 C ATOM 685 CG PRO A 44 -14.263 26.607 -23.411 1.00 0.00 C ATOM 686 CD PRO A 44 -14.674 27.636 -22.355 1.00 0.00 C ATOM 0 HA PRO A 44 -14.506 29.535 -24.986 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.174 26.888 -25.570 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.937 27.767 -24.694 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.056 25.882 -23.592 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.382 26.045 -23.100 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.474 27.247 -21.725 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.837 27.873 -21.698 1.00 0.00 H new ATOM 694 N PHE A 45 -16.550 29.277 -26.232 1.00 0.00 N ATOM 695 CA PHE A 45 -17.696 29.201 -27.151 1.00 0.00 C ATOM 696 C PHE A 45 -17.250 28.801 -28.559 1.00 0.00 C ATOM 697 O PHE A 45 -16.226 29.274 -29.041 1.00 0.00 O ATOM 698 CB PHE A 45 -18.402 30.564 -27.206 1.00 0.00 C ATOM 699 CG PHE A 45 -19.216 30.880 -25.970 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.596 31.468 -24.851 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.593 30.586 -25.933 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.350 31.749 -23.701 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.345 30.871 -24.778 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.720 31.446 -23.658 1.00 0.00 C ATOM 0 H PHE A 45 -15.955 30.083 -26.425 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.382 28.440 -26.779 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.654 31.345 -27.347 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.057 30.589 -28.077 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.542 31.702 -24.877 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.073 30.141 -26.792 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.873 32.201 -22.844 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.401 30.648 -24.752 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.293 31.654 -22.766 1.00 0.00 H new ATOM 714 N ALA A 46 -18.043 28.005 -29.269 1.00 0.00 N ATOM 715 CA ALA A 46 -17.808 27.675 -30.680 1.00 0.00 C ATOM 716 C ALA A 46 -18.399 28.756 -31.603 1.00 0.00 C ATOM 717 O ALA A 46 -19.298 29.493 -31.201 1.00 0.00 O ATOM 718 CB ALA A 46 -18.392 26.287 -30.965 1.00 0.00 C ATOM 0 H ALA A 46 -18.877 27.564 -28.882 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.737 27.650 -30.883 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.224 26.029 -32.011 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.905 25.549 -30.327 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.463 26.294 -30.760 1.00 0.00 H new ATOM 724 N ASP A 47 -17.933 28.849 -32.849 1.00 0.00 N ATOM 725 CA ASP A 47 -18.419 29.817 -33.854 1.00 0.00 C ATOM 726 C ASP A 47 -19.923 29.665 -34.187 1.00 0.00 C ATOM 727 O ASP A 47 -20.563 30.605 -34.663 1.00 0.00 O ATOM 728 CB ASP A 47 -17.547 29.684 -35.109 1.00 0.00 C ATOM 729 CG ASP A 47 -17.915 30.693 -36.210 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.630 31.903 -36.042 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.448 30.274 -37.267 1.00 0.00 O ATOM 0 H ASP A 47 -17.192 28.244 -33.203 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.330 30.819 -33.433 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.501 29.821 -34.834 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.642 28.673 -35.505 1.00 0.00 H new ATOM 736 N ASP A 48 -20.509 28.498 -33.892 1.00 0.00 N ATOM 737 CA ASP A 48 -21.955 28.236 -33.987 1.00 0.00 C ATOM 738 C ASP A 48 -22.780 28.944 -32.882 1.00 0.00 C ATOM 739 O ASP A 48 -24.007 29.029 -32.974 1.00 0.00 O ATOM 740 CB ASP A 48 -22.156 26.714 -33.941 1.00 0.00 C ATOM 741 CG ASP A 48 -23.599 26.287 -34.264 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.063 26.527 -35.406 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.260 25.667 -33.396 1.00 0.00 O ATOM 0 H ASP A 48 -19.979 27.687 -33.572 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.325 28.650 -34.925 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.476 26.242 -34.650 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.888 26.348 -32.950 1.00 0.00 H new ATOM 748 N ALA A 49 -22.109 29.475 -31.853 1.00 0.00 N ATOM 749 CA ALA A 49 -22.675 30.225 -30.728 1.00 0.00 C ATOM 750 C ALA A 49 -22.137 31.670 -30.654 1.00 0.00 C ATOM 751 O ALA A 49 -21.093 31.997 -31.223 1.00 0.00 O ATOM 752 CB ALA A 49 -22.379 29.448 -29.437 1.00 0.00 C ATOM 0 H ALA A 49 -21.095 29.387 -31.780 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.752 30.320 -30.869 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.791 29.988 -28.585 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.834 28.459 -29.495 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.301 29.344 -29.314 1.00 0.00 H new ATOM 758 N GLU A 50 -22.833 32.538 -29.912 1.00 0.00 N ATOM 759 CA GLU A 50 -22.413 33.917 -29.611 1.00 0.00 C ATOM 760 C GLU A 50 -22.558 34.229 -28.115 1.00 0.00 C ATOM 761 O GLU A 50 -23.533 33.829 -27.479 1.00 0.00 O ATOM 762 CB GLU A 50 -23.213 34.936 -30.439 1.00 0.00 C ATOM 763 CG GLU A 50 -22.763 34.971 -31.902 1.00 0.00 C ATOM 764 CD GLU A 50 -23.621 35.954 -32.722 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.269 37.157 -32.799 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.654 35.534 -33.300 1.00 0.00 O ATOM 0 H GLU A 50 -23.730 32.297 -29.491 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.360 33.999 -29.882 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.273 34.688 -30.392 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.098 35.928 -30.001 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.715 35.265 -31.957 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.837 33.972 -32.333 1.00 0.00 H new ATOM 773 N ILE A 51 -21.580 34.966 -27.579 1.00 0.00 N ATOM 774 CA ILE A 51 -21.383 35.320 -26.166 1.00 0.00 C ATOM 775 C ILE A 51 -22.589 36.090 -25.596 1.00 0.00 C ATOM 776 O ILE A 51 -22.822 37.248 -25.970 1.00 0.00 O ATOM 777 CB ILE A 51 -20.100 36.157 -25.951 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.883 35.700 -26.794 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.718 36.180 -24.461 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.360 34.291 -26.508 1.00 0.00 C ATOM 0 H ILE A 51 -20.847 35.363 -28.167 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.280 34.375 -25.632 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.349 37.159 -26.299 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.154 35.758 -27.848 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.069 36.407 -26.634 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.813 36.773 -24.326 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.530 36.622 -23.884 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.539 35.162 -24.115 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.509 34.080 -27.156 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.048 34.223 -25.466 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.150 33.564 -26.699 1.00 0.00 H new ATOM 792 N PRO A 52 -23.367 35.477 -24.695 1.00 0.00 N ATOM 793 CA PRO A 52 -24.373 36.170 -23.902 1.00 0.00 C ATOM 794 C PRO A 52 -23.719 37.091 -22.855 1.00 0.00 C ATOM 795 O PRO A 52 -22.610 36.846 -22.381 1.00 0.00 O ATOM 796 CB PRO A 52 -25.204 35.054 -23.269 1.00 0.00 C ATOM 797 CG PRO A 52 -24.232 33.882 -23.152 1.00 0.00 C ATOM 798 CD PRO A 52 -23.232 34.094 -24.279 1.00 0.00 C ATOM 0 HA PRO A 52 -24.997 36.833 -24.501 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.590 35.350 -22.294 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.064 34.798 -23.888 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.738 33.873 -22.181 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.748 32.928 -23.255 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.217 33.888 -23.940 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.434 33.418 -25.109 1.00 0.00 H new ATOM 806 N GLY A 53 -24.425 38.154 -22.460 1.00 0.00 N ATOM 807 CA GLY A 53 -24.009 39.099 -21.408 1.00 0.00 C ATOM 808 C GLY A 53 -23.565 38.450 -20.086 1.00 0.00 C ATOM 809 O GLY A 53 -22.704 38.996 -19.391 1.00 0.00 O ATOM 0 H GLY A 53 -25.327 38.392 -22.872 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.188 39.706 -21.790 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.837 39.777 -21.202 1.00 0.00 H new ATOM 813 N THR A 54 -24.115 37.282 -19.737 1.00 0.00 N ATOM 814 CA THR A 54 -23.700 36.492 -18.569 1.00 0.00 C ATOM 815 C THR A 54 -23.717 34.975 -18.824 1.00 0.00 C ATOM 816 O THR A 54 -24.389 34.496 -19.742 1.00 0.00 O ATOM 817 CB THR A 54 -24.626 36.758 -17.362 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.963 36.410 -17.673 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.698 38.225 -16.950 1.00 0.00 C ATOM 0 H THR A 54 -24.873 36.851 -20.266 1.00 0.00 H new ATOM 0 HA THR A 54 -22.677 36.809 -18.364 1.00 0.00 H new ATOM 0 HB THR A 54 -24.195 36.160 -16.558 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.535 36.583 -16.897 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.368 38.331 -16.096 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.703 38.575 -16.676 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.075 38.819 -17.783 1.00 0.00 H new ATOM 827 N TRP A 55 -22.982 34.209 -18.005 1.00 0.00 N ATOM 828 CA TRP A 55 -22.864 32.747 -18.101 1.00 0.00 C ATOM 829 C TRP A 55 -22.451 32.096 -16.766 1.00 0.00 C ATOM 830 O TRP A 55 -21.683 32.671 -15.992 1.00 0.00 O ATOM 831 CB TRP A 55 -21.833 32.406 -19.183 1.00 0.00 C ATOM 832 CG TRP A 55 -21.819 30.974 -19.616 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.037 30.006 -19.094 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.606 30.318 -20.657 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.233 28.823 -19.772 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.201 28.952 -20.743 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.612 30.749 -21.545 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.756 28.064 -21.678 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.183 29.866 -22.483 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.755 28.526 -22.552 1.00 0.00 C ATOM 0 H TRP A 55 -22.438 34.600 -17.236 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.845 32.348 -18.358 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.024 33.031 -20.055 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.841 32.668 -18.814 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.357 30.139 -18.266 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.725 27.960 -19.579 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.951 31.774 -21.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.420 27.039 -21.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.953 30.219 -23.153 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.194 27.855 -23.275 1.00 0.00 H new ATOM 851 N LEU A 56 -22.912 30.869 -16.496 1.00 0.00 N ATOM 852 CA LEU A 56 -22.618 30.142 -15.256 1.00 0.00 C ATOM 853 C LEU A 56 -21.147 29.688 -15.201 1.00 0.00 C ATOM 854 O LEU A 56 -20.656 28.991 -16.093 1.00 0.00 O ATOM 855 CB LEU A 56 -23.596 28.959 -15.112 1.00 0.00 C ATOM 856 CG LEU A 56 -24.216 28.823 -13.712 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.339 27.785 -13.735 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.194 28.374 -12.671 1.00 0.00 C ATOM 0 H LEU A 56 -23.506 30.347 -17.140 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.760 30.813 -14.409 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.397 29.073 -15.843 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.071 28.036 -15.356 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.593 29.809 -13.440 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.772 27.696 -12.739 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.110 28.098 -14.439 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.936 26.820 -14.044 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.678 28.292 -11.698 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.786 27.404 -12.956 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.387 29.105 -12.614 1.00 0.00 H new ATOM 870 N CYS A 57 -20.448 30.072 -14.136 1.00 0.00 N ATOM 871 CA CYS A 57 -19.027 29.787 -13.923 1.00 0.00 C ATOM 872 C CYS A 57 -18.790 28.520 -13.089 1.00 0.00 C ATOM 873 O CYS A 57 -19.676 28.050 -12.371 1.00 0.00 O ATOM 874 CB CYS A 57 -18.380 31.012 -13.272 1.00 0.00 C ATOM 875 SG CYS A 57 -18.305 32.353 -14.480 1.00 0.00 S ATOM 0 H CYS A 57 -20.865 30.606 -13.373 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.565 29.588 -14.890 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.956 31.323 -12.400 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.378 30.766 -12.921 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.759 33.399 -13.934 1.00 0.00 H new ATOM 881 N ARG A 58 -17.557 27.992 -13.127 1.00 0.00 N ATOM 882 CA ARG A 58 -17.183 26.715 -12.481 1.00 0.00 C ATOM 883 C ARG A 58 -17.181 26.757 -10.944 1.00 0.00 C ATOM 884 O ARG A 58 -17.181 25.704 -10.306 1.00 0.00 O ATOM 885 CB ARG A 58 -15.841 26.195 -13.033 1.00 0.00 C ATOM 886 CG ARG A 58 -15.795 26.131 -14.572 1.00 0.00 C ATOM 887 CD ARG A 58 -14.522 25.451 -15.091 1.00 0.00 C ATOM 888 NE ARG A 58 -14.549 23.988 -14.887 1.00 0.00 N ATOM 889 CZ ARG A 58 -13.622 23.129 -15.275 1.00 0.00 C ATOM 890 NH1 ARG A 58 -12.513 23.499 -15.842 1.00 0.00 N ATOM 891 NH2 ARG A 58 -13.780 21.850 -15.108 1.00 0.00 N ATOM 0 H ARG A 58 -16.780 28.441 -13.611 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.972 26.010 -12.742 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.037 26.840 -12.680 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.652 25.200 -12.630 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.668 25.589 -14.937 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.855 27.141 -14.977 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.404 25.666 -16.153 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.654 25.871 -14.583 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.359 23.604 -14.401 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.329 24.489 -16.004 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.827 22.799 -16.125 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.630 21.494 -14.671 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.054 21.202 -15.414 1.00 0.00 H new ATOM 905 N ASN A 59 -17.259 27.951 -10.344 1.00 0.00 N ATOM 906 CA ASN A 59 -17.531 28.140 -8.910 1.00 0.00 C ATOM 907 C ASN A 59 -18.976 27.733 -8.514 1.00 0.00 C ATOM 908 O ASN A 59 -19.278 27.516 -7.340 1.00 0.00 O ATOM 909 CB ASN A 59 -17.261 29.621 -8.587 1.00 0.00 C ATOM 910 CG ASN A 59 -17.479 30.049 -7.143 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.282 29.307 -6.191 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.836 31.298 -6.939 1.00 0.00 N ATOM 0 H ASN A 59 -17.133 28.829 -10.848 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.880 27.488 -8.328 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.230 29.847 -8.859 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.900 30.232 -9.225 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.948 31.647 -5.987 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.000 31.918 -7.732 1.00 0.00 H new ATOM 919 N GLY A 60 -19.875 27.614 -9.495 1.00 0.00 N ATOM 920 CA GLY A 60 -21.305 27.346 -9.310 1.00 0.00 C ATOM 921 C GLY A 60 -22.161 28.614 -9.192 1.00 0.00 C ATOM 922 O GLY A 60 -23.317 28.526 -8.773 1.00 0.00 O ATOM 0 H GLY A 60 -19.617 27.705 -10.478 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.666 26.752 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.439 26.743 -8.412 1.00 0.00 H new ATOM 926 N MET A 61 -21.613 29.785 -9.550 1.00 0.00 N ATOM 927 CA MET A 61 -22.308 31.076 -9.546 1.00 0.00 C ATOM 928 C MET A 61 -22.436 31.654 -10.962 1.00 0.00 C ATOM 929 O MET A 61 -21.565 31.455 -11.810 1.00 0.00 O ATOM 930 CB MET A 61 -21.583 32.039 -8.585 1.00 0.00 C ATOM 931 CG MET A 61 -22.388 33.307 -8.263 1.00 0.00 C ATOM 932 SD MET A 61 -24.071 33.019 -7.641 1.00 0.00 S ATOM 933 CE MET A 61 -24.665 34.726 -7.508 1.00 0.00 C ATOM 0 H MET A 61 -20.644 29.859 -9.859 1.00 0.00 H new ATOM 0 HA MET A 61 -23.328 30.933 -9.188 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.361 31.514 -7.656 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.628 32.327 -9.024 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.839 33.888 -7.522 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.451 33.917 -9.164 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.717 34.724 -7.223 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.085 35.255 -6.752 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.550 35.227 -8.469 1.00 0.00 H new ATOM 943 N GLU A 62 -23.509 32.403 -11.216 1.00 0.00 N ATOM 944 CA GLU A 62 -23.695 33.180 -12.445 1.00 0.00 C ATOM 945 C GLU A 62 -22.607 34.259 -12.563 1.00 0.00 C ATOM 946 O GLU A 62 -22.574 35.221 -11.789 1.00 0.00 O ATOM 947 CB GLU A 62 -25.098 33.814 -12.470 1.00 0.00 C ATOM 948 CG GLU A 62 -26.242 32.800 -12.645 1.00 0.00 C ATOM 949 CD GLU A 62 -26.337 32.163 -14.051 1.00 0.00 C ATOM 950 OE1 GLU A 62 -25.531 32.490 -14.954 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.248 31.325 -14.259 1.00 0.00 O ATOM 0 H GLU A 62 -24.288 32.489 -10.563 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.607 32.510 -13.300 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.253 34.364 -11.542 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.143 34.540 -13.282 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -26.119 32.005 -11.909 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -27.186 33.297 -12.423 1.00 0.00 H new ATOM 958 N GLY A 63 -21.694 34.081 -13.518 1.00 0.00 N ATOM 959 CA GLY A 63 -20.669 35.059 -13.865 1.00 0.00 C ATOM 960 C GLY A 63 -21.171 36.081 -14.886 1.00 0.00 C ATOM 961 O GLY A 63 -21.943 35.746 -15.784 1.00 0.00 O ATOM 0 H GLY A 63 -21.648 33.233 -14.083 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.344 35.578 -12.963 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.798 34.543 -14.268 1.00 0.00 H new ATOM 965 N THR A 64 -20.693 37.321 -14.799 1.00 0.00 N ATOM 966 CA THR A 64 -20.962 38.370 -15.796 1.00 0.00 C ATOM 967 C THR A 64 -19.748 38.625 -16.675 1.00 0.00 C ATOM 968 O THR A 64 -18.624 38.626 -16.181 1.00 0.00 O ATOM 969 CB THR A 64 -21.409 39.680 -15.133 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.553 39.456 -14.333 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.775 40.777 -16.139 1.00 0.00 C ATOM 0 H THR A 64 -20.102 37.634 -14.029 1.00 0.00 H new ATOM 0 HA THR A 64 -21.776 38.006 -16.423 1.00 0.00 H new ATOM 0 HB THR A 64 -20.555 40.014 -14.544 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.829 40.298 -13.913 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.082 41.675 -15.603 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.909 41.004 -16.761 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.595 40.433 -16.770 1.00 0.00 H new ATOM 979 N LEU A 65 -19.973 38.837 -17.971 1.00 0.00 N ATOM 980 CA LEU A 65 -18.943 39.064 -18.982 1.00 0.00 C ATOM 981 C LEU A 65 -18.084 40.308 -18.671 1.00 0.00 C ATOM 982 O LEU A 65 -18.615 41.417 -18.559 1.00 0.00 O ATOM 983 CB LEU A 65 -19.680 39.166 -20.332 1.00 0.00 C ATOM 984 CG LEU A 65 -18.777 39.171 -21.575 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.191 37.802 -21.850 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.583 39.603 -22.801 1.00 0.00 C ATOM 0 H LEU A 65 -20.916 38.856 -18.360 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.226 38.243 -19.002 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.375 38.330 -20.412 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.277 40.078 -20.333 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.963 39.870 -21.380 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.559 37.848 -22.737 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.594 37.483 -20.995 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -18.997 37.088 -22.016 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.937 39.605 -23.679 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.407 38.907 -22.958 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.980 40.605 -22.641 1.00 0.00 H new