USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 267 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 GLN : amide:sc= 0.72 K(o=0.72,f=-0.00098) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.496 USER MOD Single : A 35 THR OG1 : rot -68:sc= 0.288 USER MOD Single : A 37 ASN : amide:sc= 0.78 K(o=0.78,f=-0.12) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.53 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 61 MET CE :methyl 178:sc= 0 (180deg=-0.00707) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.310 31.005 -29.507 1.00 0.00 N ATOM 438 CA GLN A 29 -14.288 32.313 -28.842 1.00 0.00 C ATOM 439 C GLN A 29 -14.255 32.116 -27.318 1.00 0.00 C ATOM 440 O GLN A 29 -15.266 31.809 -26.690 1.00 0.00 O ATOM 441 CB GLN A 29 -15.547 33.127 -29.202 1.00 0.00 C ATOM 442 CG GLN A 29 -15.826 33.308 -30.704 1.00 0.00 C ATOM 443 CD GLN A 29 -17.208 32.788 -31.080 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.037 33.481 -31.654 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.489 31.544 -30.758 1.00 0.00 N ATOM 0 HA GLN A 29 -13.401 32.851 -29.176 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.411 32.642 -28.748 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.460 34.114 -28.747 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.749 34.363 -30.965 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.067 32.781 -31.283 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.793 30.971 -30.280 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.402 31.152 -30.987 1.00 0.00 H new ATOM 454 N ILE A 30 -13.088 32.275 -26.708 1.00 0.00 N ATOM 455 CA ILE A 30 -12.908 32.209 -25.258 1.00 0.00 C ATOM 456 C ILE A 30 -13.215 33.589 -24.665 1.00 0.00 C ATOM 457 O ILE A 30 -12.437 34.531 -24.817 1.00 0.00 O ATOM 458 CB ILE A 30 -11.494 31.706 -24.901 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.220 30.256 -25.360 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.302 31.727 -23.371 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.270 29.939 -26.859 1.00 0.00 C ATOM 0 H ILE A 30 -12.221 32.457 -27.214 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.599 31.487 -24.823 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.807 32.375 -25.419 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.232 29.974 -24.995 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.941 29.609 -24.861 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.302 31.371 -23.125 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.425 32.745 -23.003 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.043 31.080 -22.902 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.056 28.882 -27.015 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.262 30.169 -27.247 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.527 30.540 -27.383 1.00 0.00 H new ATOM 473 N ALA A 31 -14.348 33.691 -23.975 1.00 0.00 N ATOM 474 CA ALA A 31 -14.713 34.830 -23.137 1.00 0.00 C ATOM 475 C ALA A 31 -14.376 34.567 -21.656 1.00 0.00 C ATOM 476 O ALA A 31 -14.150 33.427 -21.243 1.00 0.00 O ATOM 477 CB ALA A 31 -16.203 35.123 -23.352 1.00 0.00 C ATOM 0 H ALA A 31 -15.060 32.960 -23.984 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.132 35.707 -23.422 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.500 35.971 -22.735 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.380 35.358 -24.402 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.790 34.248 -23.072 1.00 0.00 H new ATOM 483 N ARG A 32 -14.373 35.624 -20.839 1.00 0.00 N ATOM 484 CA ARG A 32 -14.248 35.564 -19.371 1.00 0.00 C ATOM 485 C ARG A 32 -15.517 36.061 -18.695 1.00 0.00 C ATOM 486 O ARG A 32 -16.173 36.968 -19.202 1.00 0.00 O ATOM 487 CB ARG A 32 -13.027 36.374 -18.903 1.00 0.00 C ATOM 488 CG ARG A 32 -11.772 35.500 -18.809 1.00 0.00 C ATOM 489 CD ARG A 32 -10.501 36.354 -18.795 1.00 0.00 C ATOM 490 NE ARG A 32 -10.319 37.128 -17.549 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.190 37.666 -17.122 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.063 37.531 -17.763 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.175 38.374 -16.036 1.00 0.00 N ATOM 0 H ARG A 32 -14.460 36.579 -21.188 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.102 34.523 -19.083 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.848 37.196 -19.596 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.236 36.818 -17.930 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.815 34.893 -17.905 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.741 34.812 -19.654 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.637 35.706 -18.939 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.527 37.043 -19.640 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.143 37.259 -16.963 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.030 36.993 -18.629 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.214 37.963 -17.398 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.036 38.517 -15.509 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.302 38.788 -15.709 1.00 0.00 H new ATOM 507 N TYR A 33 -15.820 35.521 -17.517 1.00 0.00 N ATOM 508 CA TYR A 33 -16.945 35.947 -16.687 1.00 0.00 C ATOM 509 C TYR A 33 -16.559 35.991 -15.204 1.00 0.00 C ATOM 510 O TYR A 33 -15.807 35.143 -14.723 1.00 0.00 O ATOM 511 CB TYR A 33 -18.154 35.029 -16.886 1.00 0.00 C ATOM 512 CG TYR A 33 -18.722 34.964 -18.285 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.099 34.186 -19.279 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.908 35.654 -18.575 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.682 34.085 -20.555 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.486 35.566 -19.850 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.896 34.749 -20.830 1.00 0.00 C ATOM 518 OH TYR A 33 -20.525 34.583 -22.017 1.00 0.00 O ATOM 0 H TYR A 33 -15.280 34.760 -17.104 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.216 36.955 -17.002 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.871 34.020 -16.584 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.945 35.354 -16.210 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.176 33.668 -19.063 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.379 36.256 -17.812 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.200 33.499 -21.324 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.382 36.124 -20.078 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.214 35.272 -22.122 1.00 0.00 H new ATOM 528 N ARG A 34 -17.089 36.984 -14.484 1.00 0.00 N ATOM 529 CA ARG A 34 -16.821 37.277 -13.069 1.00 0.00 C ATOM 530 C ARG A 34 -18.033 36.947 -12.203 1.00 0.00 C ATOM 531 O ARG A 34 -19.121 37.465 -12.448 1.00 0.00 O ATOM 532 CB ARG A 34 -16.428 38.758 -12.946 1.00 0.00 C ATOM 533 CG ARG A 34 -15.967 39.104 -11.525 1.00 0.00 C ATOM 534 CD ARG A 34 -15.502 40.561 -11.408 1.00 0.00 C ATOM 535 NE ARG A 34 -16.574 41.545 -11.683 1.00 0.00 N ATOM 536 CZ ARG A 34 -17.634 41.828 -10.943 1.00 0.00 C ATOM 537 NH1 ARG A 34 -17.928 41.184 -9.848 1.00 0.00 N ATOM 538 NH2 ARG A 34 -18.440 42.787 -11.299 1.00 0.00 N ATOM 0 H ARG A 34 -17.753 37.642 -14.893 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.001 36.654 -12.711 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.629 38.983 -13.653 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.278 39.384 -13.216 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.785 38.928 -10.826 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.152 38.440 -11.237 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.112 40.731 -10.404 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.679 40.729 -12.102 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.484 42.071 -12.552 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.329 40.424 -9.527 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.757 41.441 -9.312 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -18.254 43.320 -12.148 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.257 43.005 -10.728 1.00 0.00 H new ATOM 552 N THR A 35 -17.838 36.116 -11.184 1.00 0.00 N ATOM 553 CA THR A 35 -18.874 35.716 -10.215 1.00 0.00 C ATOM 554 C THR A 35 -19.131 36.823 -9.187 1.00 0.00 C ATOM 555 O THR A 35 -18.439 37.845 -9.144 1.00 0.00 O ATOM 556 CB THR A 35 -18.533 34.404 -9.491 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.370 34.564 -8.737 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.350 33.237 -10.453 1.00 0.00 C ATOM 0 H THR A 35 -16.932 35.686 -10.997 1.00 0.00 H new ATOM 0 HA THR A 35 -19.781 35.548 -10.796 1.00 0.00 H new ATOM 0 HB THR A 35 -19.377 34.171 -8.842 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.603 34.675 -9.337 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.111 32.335 -9.890 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.271 33.080 -11.014 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.537 33.459 -11.144 1.00 0.00 H new ATOM 566 N ASP A 36 -20.104 36.607 -8.303 1.00 0.00 N ATOM 567 CA ASP A 36 -20.481 37.591 -7.279 1.00 0.00 C ATOM 568 C ASP A 36 -19.518 37.587 -6.074 1.00 0.00 C ATOM 569 O ASP A 36 -19.515 38.510 -5.258 1.00 0.00 O ATOM 570 CB ASP A 36 -21.937 37.338 -6.865 1.00 0.00 C ATOM 571 CG ASP A 36 -22.498 38.443 -5.953 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.618 39.606 -6.412 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.861 38.147 -4.789 1.00 0.00 O ATOM 0 H ASP A 36 -20.654 35.749 -8.273 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.400 38.592 -7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.556 37.262 -7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -22.002 36.380 -6.349 1.00 0.00 H new ATOM 578 N ASN A 37 -18.653 36.570 -5.997 1.00 0.00 N ATOM 579 CA ASN A 37 -17.596 36.415 -5.003 1.00 0.00 C ATOM 580 C ASN A 37 -16.231 36.936 -5.533 1.00 0.00 C ATOM 581 O ASN A 37 -15.183 36.693 -4.933 1.00 0.00 O ATOM 582 CB ASN A 37 -17.653 34.936 -4.591 1.00 0.00 C ATOM 583 CG ASN A 37 -16.746 34.562 -3.437 1.00 0.00 C ATOM 584 OD1 ASN A 37 -16.662 35.239 -2.419 1.00 0.00 O ATOM 585 ND2 ASN A 37 -16.090 33.431 -3.535 1.00 0.00 N ATOM 0 H ASN A 37 -18.676 35.796 -6.661 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.734 37.030 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.680 34.688 -4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.392 34.323 -5.453 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.507 33.111 -2.762 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.163 32.871 -4.384 1.00 0.00 H new ATOM 592 N GLY A 38 -16.241 37.647 -6.674 1.00 0.00 N ATOM 593 CA GLY A 38 -15.068 38.205 -7.367 1.00 0.00 C ATOM 594 C GLY A 38 -14.326 37.224 -8.266 1.00 0.00 C ATOM 595 O GLY A 38 -13.310 37.578 -8.866 1.00 0.00 O ATOM 0 H GLY A 38 -17.112 37.858 -7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.390 39.054 -7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.372 38.589 -6.621 1.00 0.00 H new ATOM 599 N GLU A 39 -14.794 35.982 -8.335 1.00 0.00 N ATOM 600 CA GLU A 39 -14.052 34.874 -8.930 1.00 0.00 C ATOM 601 C GLU A 39 -14.246 34.872 -10.444 1.00 0.00 C ATOM 602 O GLU A 39 -15.371 34.757 -10.926 1.00 0.00 O ATOM 603 CB GLU A 39 -14.436 33.523 -8.305 1.00 0.00 C ATOM 604 CG GLU A 39 -14.717 33.601 -6.800 1.00 0.00 C ATOM 605 CD GLU A 39 -14.300 32.308 -6.075 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.092 31.963 -6.068 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.174 31.661 -5.456 1.00 0.00 O ATOM 0 H GLU A 39 -15.710 35.713 -7.975 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.993 35.019 -8.717 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.320 33.136 -8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.631 32.809 -8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.179 34.447 -6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.779 33.783 -6.637 1.00 0.00 H new ATOM 614 N GLU A 40 -13.159 34.997 -11.194 1.00 0.00 N ATOM 615 CA GLU A 40 -13.203 35.056 -12.660 1.00 0.00 C ATOM 616 C GLU A 40 -12.796 33.720 -13.290 1.00 0.00 C ATOM 617 O GLU A 40 -11.757 33.139 -12.958 1.00 0.00 O ATOM 618 CB GLU A 40 -12.287 36.163 -13.197 1.00 0.00 C ATOM 619 CG GLU A 40 -12.884 37.555 -12.990 1.00 0.00 C ATOM 620 CD GLU A 40 -11.970 38.643 -13.580 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.600 38.541 -14.775 1.00 0.00 O ATOM 622 OE2 GLU A 40 -11.606 39.600 -12.855 1.00 0.00 O ATOM 0 H GLU A 40 -12.217 35.061 -10.808 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.235 35.276 -12.934 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.320 36.106 -12.698 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.107 36.000 -14.260 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.866 37.606 -13.460 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.030 37.737 -11.925 1.00 0.00 H new ATOM 629 N PHE A 41 -13.625 33.258 -14.228 1.00 0.00 N ATOM 630 CA PHE A 41 -13.452 32.022 -14.991 1.00 0.00 C ATOM 631 C PHE A 41 -13.535 32.280 -16.501 1.00 0.00 C ATOM 632 O PHE A 41 -14.056 33.302 -16.949 1.00 0.00 O ATOM 633 CB PHE A 41 -14.509 30.998 -14.556 1.00 0.00 C ATOM 634 CG PHE A 41 -14.386 30.549 -13.109 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.985 31.280 -12.063 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.637 29.396 -12.805 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.820 30.859 -10.737 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.458 28.991 -11.471 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.050 29.726 -10.433 1.00 0.00 C ATOM 0 H PHE A 41 -14.474 33.759 -14.488 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.459 31.623 -14.784 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.499 31.428 -14.708 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.439 30.124 -15.203 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.569 32.161 -12.283 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.196 28.818 -13.604 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.291 31.413 -9.939 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.866 28.116 -11.246 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.914 29.422 -9.406 1.00 0.00 H new ATOM 649 N GLU A 42 -13.044 31.327 -17.290 1.00 0.00 N ATOM 650 CA GLU A 42 -13.016 31.382 -18.755 1.00 0.00 C ATOM 651 C GLU A 42 -14.002 30.376 -19.370 1.00 0.00 C ATOM 652 O GLU A 42 -14.071 29.219 -18.944 1.00 0.00 O ATOM 653 CB GLU A 42 -11.602 31.139 -19.315 1.00 0.00 C ATOM 654 CG GLU A 42 -10.463 31.895 -18.611 1.00 0.00 C ATOM 655 CD GLU A 42 -9.762 31.023 -17.548 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.829 30.262 -17.906 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.125 31.095 -16.350 1.00 0.00 O ATOM 0 H GLU A 42 -12.641 30.467 -16.918 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.322 32.390 -19.034 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.390 30.071 -19.263 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.597 31.414 -20.370 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.733 32.222 -19.351 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.861 32.793 -18.138 1.00 0.00 H new ATOM 664 N VAL A 43 -14.745 30.810 -20.392 1.00 0.00 N ATOM 665 CA VAL A 43 -15.741 30.000 -21.118 1.00 0.00 C ATOM 666 C VAL A 43 -15.466 30.011 -22.633 1.00 0.00 C ATOM 667 O VAL A 43 -15.675 31.039 -23.284 1.00 0.00 O ATOM 668 CB VAL A 43 -17.177 30.479 -20.828 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.206 29.537 -21.465 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.482 30.586 -19.328 1.00 0.00 C ATOM 0 H VAL A 43 -14.672 31.762 -20.752 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.649 28.975 -20.759 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.249 31.475 -21.264 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.212 29.896 -21.247 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.056 29.511 -22.544 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.082 28.534 -21.057 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.508 30.928 -19.189 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.359 29.609 -18.861 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.797 31.297 -18.867 1.00 0.00 H new ATOM 680 N PRO A 44 -15.024 28.883 -23.225 1.00 0.00 N ATOM 681 CA PRO A 44 -14.948 28.694 -24.670 1.00 0.00 C ATOM 682 C PRO A 44 -16.336 28.496 -25.300 1.00 0.00 C ATOM 683 O PRO A 44 -17.086 27.585 -24.938 1.00 0.00 O ATOM 684 CB PRO A 44 -14.039 27.476 -24.903 1.00 0.00 C ATOM 685 CG PRO A 44 -13.350 27.241 -23.559 1.00 0.00 C ATOM 686 CD PRO A 44 -14.361 27.781 -22.554 1.00 0.00 C ATOM 0 HA PRO A 44 -14.539 29.583 -25.151 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.617 26.604 -25.209 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.312 27.670 -25.692 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.141 26.184 -23.392 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.398 27.768 -23.496 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.076 27.011 -22.264 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.867 28.117 -21.642 1.00 0.00 H new ATOM 694 N PHE A 45 -16.639 29.326 -26.293 1.00 0.00 N ATOM 695 CA PHE A 45 -17.803 29.234 -27.186 1.00 0.00 C ATOM 696 C PHE A 45 -17.389 28.808 -28.594 1.00 0.00 C ATOM 697 O PHE A 45 -16.390 29.295 -29.114 1.00 0.00 O ATOM 698 CB PHE A 45 -18.505 30.595 -27.251 1.00 0.00 C ATOM 699 CG PHE A 45 -19.296 30.922 -26.005 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.654 31.510 -24.897 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.672 30.627 -25.946 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.392 31.803 -23.741 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.404 30.914 -24.779 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.760 31.499 -23.675 1.00 0.00 C ATOM 0 H PHE A 45 -16.049 30.128 -26.514 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.481 28.480 -26.786 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.759 31.373 -27.414 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.174 30.610 -28.112 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.598 31.734 -24.938 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.165 30.180 -26.797 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.904 32.266 -22.896 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.458 30.685 -24.732 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.318 31.714 -22.776 1.00 0.00 H new ATOM 714 N ALA A 46 -18.180 27.978 -29.262 1.00 0.00 N ATOM 715 CA ALA A 46 -17.956 27.601 -30.663 1.00 0.00 C ATOM 716 C ALA A 46 -18.505 28.677 -31.616 1.00 0.00 C ATOM 717 O ALA A 46 -19.385 29.449 -31.240 1.00 0.00 O ATOM 718 CB ALA A 46 -18.594 26.229 -30.912 1.00 0.00 C ATOM 0 H ALA A 46 -19.004 27.541 -28.848 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.887 27.530 -30.862 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.435 25.937 -31.950 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.138 25.490 -30.253 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.664 26.283 -30.710 1.00 0.00 H new ATOM 724 N ASP A 47 -18.028 28.722 -32.861 1.00 0.00 N ATOM 725 CA ASP A 47 -18.480 29.676 -33.895 1.00 0.00 C ATOM 726 C ASP A 47 -19.988 29.561 -34.229 1.00 0.00 C ATOM 727 O ASP A 47 -20.596 30.507 -34.734 1.00 0.00 O ATOM 728 CB ASP A 47 -17.613 29.474 -35.146 1.00 0.00 C ATOM 729 CG ASP A 47 -17.937 30.472 -36.270 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.607 31.674 -36.128 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.478 30.049 -37.321 1.00 0.00 O ATOM 0 H ASP A 47 -17.302 28.087 -33.193 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.358 30.686 -33.503 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.562 29.572 -34.873 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.752 28.459 -35.518 1.00 0.00 H new ATOM 736 N ASP A 48 -20.611 28.423 -33.906 1.00 0.00 N ATOM 737 CA ASP A 48 -22.064 28.202 -33.997 1.00 0.00 C ATOM 738 C ASP A 48 -22.868 28.964 -32.911 1.00 0.00 C ATOM 739 O ASP A 48 -24.091 29.097 -33.015 1.00 0.00 O ATOM 740 CB ASP A 48 -22.315 26.690 -33.915 1.00 0.00 C ATOM 741 CG ASP A 48 -23.772 26.303 -34.223 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.230 26.525 -35.371 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.452 25.733 -33.335 1.00 0.00 O ATOM 0 H ASP A 48 -20.107 27.605 -33.564 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.419 28.602 -34.947 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.654 26.179 -34.615 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.055 26.338 -32.917 1.00 0.00 H new ATOM 748 N ALA A 49 -22.186 29.484 -31.887 1.00 0.00 N ATOM 749 CA ALA A 49 -22.729 30.262 -30.771 1.00 0.00 C ATOM 750 C ALA A 49 -22.146 31.691 -30.714 1.00 0.00 C ATOM 751 O ALA A 49 -21.079 31.976 -31.261 1.00 0.00 O ATOM 752 CB ALA A 49 -22.458 29.491 -29.471 1.00 0.00 C ATOM 0 H ALA A 49 -21.176 29.365 -31.811 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.803 30.387 -30.912 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.855 30.053 -28.625 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.943 28.516 -29.518 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.384 29.356 -29.345 1.00 0.00 H new ATOM 758 N GLU A 50 -22.831 32.593 -30.005 1.00 0.00 N ATOM 759 CA GLU A 50 -22.368 33.958 -29.705 1.00 0.00 C ATOM 760 C GLU A 50 -22.520 34.276 -28.212 1.00 0.00 C ATOM 761 O GLU A 50 -23.520 33.916 -27.590 1.00 0.00 O ATOM 762 CB GLU A 50 -23.122 35.001 -30.546 1.00 0.00 C ATOM 763 CG GLU A 50 -22.648 35.014 -32.003 1.00 0.00 C ATOM 764 CD GLU A 50 -23.462 36.017 -32.842 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.070 37.207 -32.924 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.500 35.627 -33.431 1.00 0.00 O ATOM 0 H GLU A 50 -23.750 32.391 -29.611 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.311 34.006 -29.965 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.191 34.789 -30.514 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.980 35.990 -30.110 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.591 35.276 -32.042 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.745 34.015 -32.429 1.00 0.00 H new ATOM 773 N ILE A 51 -21.517 34.968 -27.662 1.00 0.00 N ATOM 774 CA ILE A 51 -21.325 35.300 -26.243 1.00 0.00 C ATOM 775 C ILE A 51 -22.542 36.044 -25.661 1.00 0.00 C ATOM 776 O ILE A 51 -22.787 37.206 -26.011 1.00 0.00 O ATOM 777 CB ILE A 51 -20.052 36.152 -26.019 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.827 35.714 -26.859 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.685 36.177 -24.525 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.302 34.302 -26.587 1.00 0.00 C ATOM 0 H ILE A 51 -20.761 35.339 -28.238 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.209 34.350 -25.722 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.306 37.153 -26.367 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.090 35.786 -27.914 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.017 36.422 -26.683 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.788 36.779 -24.381 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.508 36.609 -23.955 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.499 35.160 -24.179 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.445 34.102 -27.230 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -17.999 34.221 -25.543 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.088 33.576 -26.794 1.00 0.00 H new ATOM 792 N PRO A 52 -23.312 35.402 -24.772 1.00 0.00 N ATOM 793 CA PRO A 52 -24.333 36.063 -23.978 1.00 0.00 C ATOM 794 C PRO A 52 -23.694 36.946 -22.893 1.00 0.00 C ATOM 795 O PRO A 52 -22.613 36.644 -22.377 1.00 0.00 O ATOM 796 CB PRO A 52 -25.169 34.924 -23.395 1.00 0.00 C ATOM 797 CG PRO A 52 -24.177 33.769 -23.271 1.00 0.00 C ATOM 798 CD PRO A 52 -23.167 34.012 -24.384 1.00 0.00 C ATOM 0 HA PRO A 52 -24.953 36.742 -24.564 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.592 35.193 -22.427 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.003 34.666 -24.047 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.696 33.762 -22.293 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.673 32.806 -23.389 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.153 33.809 -24.040 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.355 33.351 -25.230 1.00 0.00 H new ATOM 806 N GLY A 53 -24.387 38.026 -22.520 1.00 0.00 N ATOM 807 CA GLY A 53 -23.978 38.993 -21.488 1.00 0.00 C ATOM 808 C GLY A 53 -23.554 38.375 -20.148 1.00 0.00 C ATOM 809 O GLY A 53 -22.701 38.932 -19.452 1.00 0.00 O ATOM 0 H GLY A 53 -25.284 38.263 -22.943 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.149 39.586 -21.875 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.805 39.680 -21.308 1.00 0.00 H new ATOM 813 N THR A 54 -24.116 37.219 -19.783 1.00 0.00 N ATOM 814 CA THR A 54 -23.692 36.436 -18.616 1.00 0.00 C ATOM 815 C THR A 54 -23.685 34.920 -18.884 1.00 0.00 C ATOM 816 O THR A 54 -24.338 34.440 -19.815 1.00 0.00 O ATOM 817 CB THR A 54 -24.631 36.684 -17.412 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.957 36.310 -17.735 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.745 38.149 -16.994 1.00 0.00 C ATOM 0 H THR A 54 -24.889 36.794 -20.296 1.00 0.00 H new ATOM 0 HA THR A 54 -22.677 36.767 -18.399 1.00 0.00 H new ATOM 0 HB THR A 54 -24.187 36.098 -16.608 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.539 36.471 -16.963 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.422 38.233 -16.144 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.761 38.525 -16.713 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.133 38.736 -17.827 1.00 0.00 H new ATOM 827 N TRP A 55 -22.946 34.155 -18.068 1.00 0.00 N ATOM 828 CA TRP A 55 -22.799 32.695 -18.177 1.00 0.00 C ATOM 829 C TRP A 55 -22.391 32.044 -16.840 1.00 0.00 C ATOM 830 O TRP A 55 -21.669 32.644 -16.041 1.00 0.00 O ATOM 831 CB TRP A 55 -21.758 32.375 -19.255 1.00 0.00 C ATOM 832 CG TRP A 55 -21.720 30.941 -19.684 1.00 0.00 C ATOM 833 CD1 TRP A 55 -20.919 29.992 -19.157 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.502 30.261 -20.714 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.102 28.797 -19.819 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.084 28.898 -20.780 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.517 30.664 -21.606 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.637 27.985 -21.691 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.091 29.755 -22.518 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.651 28.418 -22.563 1.00 0.00 C ATOM 0 H TRP A 55 -22.417 34.547 -17.289 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.769 32.280 -18.450 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -21.957 32.996 -20.128 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.772 32.655 -18.883 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.234 30.146 -18.336 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.577 27.945 -19.622 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.861 31.688 -21.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.288 26.963 -21.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.873 30.086 -23.186 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.092 27.727 -23.266 1.00 0.00 H new ATOM 851 N LEU A 56 -22.824 30.806 -16.575 1.00 0.00 N ATOM 852 CA LEU A 56 -22.525 30.084 -15.331 1.00 0.00 C ATOM 853 C LEU A 56 -21.039 29.679 -15.247 1.00 0.00 C ATOM 854 O LEU A 56 -20.507 29.016 -16.139 1.00 0.00 O ATOM 855 CB LEU A 56 -23.464 28.866 -15.207 1.00 0.00 C ATOM 856 CG LEU A 56 -24.128 28.718 -13.828 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.189 27.617 -13.873 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.123 28.354 -12.738 1.00 0.00 C ATOM 0 H LEU A 56 -23.399 30.270 -17.225 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.704 30.749 -14.486 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.243 28.943 -15.966 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.897 27.961 -15.423 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.573 29.684 -13.590 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.654 27.519 -12.892 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.949 27.874 -14.611 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.721 26.672 -14.148 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.640 28.261 -11.783 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.645 27.406 -12.986 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.366 29.135 -12.666 1.00 0.00 H new ATOM 870 N CYS A 57 -20.375 30.063 -14.158 1.00 0.00 N ATOM 871 CA CYS A 57 -18.952 29.808 -13.915 1.00 0.00 C ATOM 872 C CYS A 57 -18.701 28.545 -13.078 1.00 0.00 C ATOM 873 O CYS A 57 -19.593 28.053 -12.381 1.00 0.00 O ATOM 874 CB CYS A 57 -18.351 31.039 -13.235 1.00 0.00 C ATOM 875 SG CYS A 57 -18.261 32.396 -14.424 1.00 0.00 S ATOM 0 H CYS A 57 -20.823 30.575 -13.398 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.469 29.626 -14.875 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.961 31.330 -12.380 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.356 30.808 -12.854 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.752 33.445 -13.848 1.00 0.00 H new ATOM 881 N ARG A 58 -17.454 28.051 -13.082 1.00 0.00 N ATOM 882 CA ARG A 58 -17.063 26.793 -12.408 1.00 0.00 C ATOM 883 C ARG A 58 -17.102 26.855 -10.873 1.00 0.00 C ATOM 884 O ARG A 58 -17.116 25.805 -10.231 1.00 0.00 O ATOM 885 CB ARG A 58 -15.689 26.302 -12.904 1.00 0.00 C ATOM 886 CG ARG A 58 -15.584 26.174 -14.435 1.00 0.00 C ATOM 887 CD ARG A 58 -14.239 25.579 -14.877 1.00 0.00 C ATOM 888 NE ARG A 58 -14.099 24.159 -14.492 1.00 0.00 N ATOM 889 CZ ARG A 58 -13.019 23.410 -14.618 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.909 23.870 -15.125 1.00 0.00 N ATOM 891 NH2 ARG A 58 -13.031 22.165 -14.233 1.00 0.00 N ATOM 0 H ARG A 58 -16.678 28.514 -13.556 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.827 26.068 -12.689 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.920 26.991 -12.554 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.477 25.332 -12.453 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.395 25.545 -14.802 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.712 27.156 -14.890 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.142 25.671 -15.959 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.427 26.155 -14.434 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.921 23.712 -14.087 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.855 24.839 -15.440 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.095 23.261 -15.206 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.878 21.764 -13.831 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.193 21.592 -14.333 1.00 0.00 H new ATOM 905 N ASN A 59 -17.194 28.052 -10.277 1.00 0.00 N ATOM 906 CA ASN A 59 -17.489 28.215 -8.843 1.00 0.00 C ATOM 907 C ASN A 59 -18.944 27.802 -8.484 1.00 0.00 C ATOM 908 O ASN A 59 -19.271 27.529 -7.328 1.00 0.00 O ATOM 909 CB ASN A 59 -17.222 29.685 -8.473 1.00 0.00 C ATOM 910 CG ASN A 59 -17.490 30.066 -7.020 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.383 29.276 -6.093 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.817 31.316 -6.779 1.00 0.00 N ATOM 0 H ASN A 59 -17.067 28.934 -10.773 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.844 27.551 -8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.181 29.914 -8.702 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.836 30.318 -9.114 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.981 31.625 -5.821 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.907 31.977 -7.550 1.00 0.00 H new ATOM 919 N GLY A 60 -19.819 27.708 -9.490 1.00 0.00 N ATOM 920 CA GLY A 60 -21.247 27.392 -9.353 1.00 0.00 C ATOM 921 C GLY A 60 -22.150 28.629 -9.241 1.00 0.00 C ATOM 922 O GLY A 60 -23.313 28.503 -8.851 1.00 0.00 O ATOM 0 H GLY A 60 -19.543 27.855 -10.461 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.562 26.801 -10.213 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.388 26.770 -8.469 1.00 0.00 H new ATOM 926 N MET A 61 -21.626 29.816 -9.574 1.00 0.00 N ATOM 927 CA MET A 61 -22.345 31.093 -9.597 1.00 0.00 C ATOM 928 C MET A 61 -22.459 31.642 -11.026 1.00 0.00 C ATOM 929 O MET A 61 -21.536 31.498 -11.831 1.00 0.00 O ATOM 930 CB MET A 61 -21.628 32.083 -8.662 1.00 0.00 C ATOM 931 CG MET A 61 -22.418 33.375 -8.413 1.00 0.00 C ATOM 932 SD MET A 61 -24.073 33.141 -7.705 1.00 0.00 S ATOM 933 CE MET A 61 -24.712 34.832 -7.831 1.00 0.00 C ATOM 0 H MET A 61 -20.648 29.915 -9.846 1.00 0.00 H new ATOM 0 HA MET A 61 -23.364 30.943 -9.241 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.437 31.594 -7.707 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.658 32.337 -9.090 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.840 34.013 -7.744 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.516 33.910 -9.357 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.740 34.860 -7.470 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.097 35.499 -7.228 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.684 35.155 -8.872 1.00 0.00 H new ATOM 943 N GLU A 62 -23.567 32.310 -11.341 1.00 0.00 N ATOM 944 CA GLU A 62 -23.738 33.086 -12.572 1.00 0.00 C ATOM 945 C GLU A 62 -22.678 34.198 -12.654 1.00 0.00 C ATOM 946 O GLU A 62 -22.698 35.162 -11.884 1.00 0.00 O ATOM 947 CB GLU A 62 -25.155 33.682 -12.669 1.00 0.00 C ATOM 948 CG GLU A 62 -26.282 32.637 -12.714 1.00 0.00 C ATOM 949 CD GLU A 62 -26.865 32.340 -11.316 1.00 0.00 C ATOM 950 OE1 GLU A 62 -26.216 31.620 -10.521 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.982 32.825 -11.007 1.00 0.00 O ATOM 0 H GLU A 62 -24.389 32.329 -10.737 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.605 32.409 -13.416 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.319 34.339 -11.815 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.215 34.302 -13.564 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -27.078 32.993 -13.368 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.900 31.713 -13.149 1.00 0.00 H new ATOM 958 N GLY A 63 -21.733 34.046 -13.582 1.00 0.00 N ATOM 959 CA GLY A 63 -20.715 35.044 -13.894 1.00 0.00 C ATOM 960 C GLY A 63 -21.202 36.060 -14.927 1.00 0.00 C ATOM 961 O GLY A 63 -21.950 35.714 -15.843 1.00 0.00 O ATOM 0 H GLY A 63 -21.654 33.203 -14.151 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.428 35.566 -12.981 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.822 34.545 -14.270 1.00 0.00 H new ATOM 965 N THR A 64 -20.734 37.303 -14.834 1.00 0.00 N ATOM 966 CA THR A 64 -21.007 38.354 -15.832 1.00 0.00 C ATOM 967 C THR A 64 -19.788 38.620 -16.702 1.00 0.00 C ATOM 968 O THR A 64 -18.666 38.626 -16.202 1.00 0.00 O ATOM 969 CB THR A 64 -21.467 39.658 -15.166 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.607 39.414 -14.367 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.844 40.749 -16.175 1.00 0.00 C ATOM 0 H THR A 64 -20.149 37.619 -14.060 1.00 0.00 H new ATOM 0 HA THR A 64 -21.815 37.987 -16.465 1.00 0.00 H new ATOM 0 HB THR A 64 -20.621 40.007 -14.574 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.895 40.250 -13.943 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.160 41.645 -15.641 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.980 40.983 -16.797 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.660 40.395 -16.805 1.00 0.00 H new ATOM 979 N LEU A 65 -20.004 38.837 -18.000 1.00 0.00 N ATOM 980 CA LEU A 65 -18.959 39.057 -19.000 1.00 0.00 C ATOM 981 C LEU A 65 -18.089 40.291 -18.677 1.00 0.00 C ATOM 982 O LEU A 65 -18.608 41.405 -18.564 1.00 0.00 O ATOM 983 CB LEU A 65 -19.677 39.167 -20.358 1.00 0.00 C ATOM 984 CG LEU A 65 -18.760 39.166 -21.591 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.210 37.786 -21.885 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.545 39.632 -22.819 1.00 0.00 C ATOM 0 H LEU A 65 -20.943 38.865 -18.397 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.250 38.229 -19.013 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.378 38.337 -20.447 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.266 40.084 -20.365 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.930 39.839 -21.375 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.567 37.830 -22.764 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.632 37.435 -21.030 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.034 37.098 -22.073 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.891 39.630 -23.691 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.383 38.957 -22.992 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.920 40.641 -22.649 1.00 0.00 H new