USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 267 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 THR OG1 : rot -67:sc= 0.31 USER MOD Set 1.2: A 59 ASN : amide:sc= 0 X(o=0.31,f=0.16) USER MOD Single : A 29 GLN : amide:sc= 0.453 X(o=0.45,f=0) USER MOD Single : A 33 TYR OH : rot -167:sc= 0.546 USER MOD Single : A 37 ASN : amide:sc= 0.723 K(o=0.72,f=-0.13) USER MOD Single : A 54 THR OG1 : rot 155:sc= 0.399 USER MOD Single : A 57 CYS SG : rot -143:sc= -1.62 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.196 31.230 -29.557 1.00 0.00 N ATOM 438 CA GLN A 29 -14.182 32.478 -28.785 1.00 0.00 C ATOM 439 C GLN A 29 -14.084 32.172 -27.288 1.00 0.00 C ATOM 440 O GLN A 29 -14.982 31.574 -26.704 1.00 0.00 O ATOM 441 CB GLN A 29 -15.473 33.289 -29.021 1.00 0.00 C ATOM 442 CG GLN A 29 -15.829 33.580 -30.490 1.00 0.00 C ATOM 443 CD GLN A 29 -17.157 32.949 -30.896 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.052 33.594 -31.422 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.319 31.664 -30.663 1.00 0.00 N ATOM 0 HA GLN A 29 -13.319 33.057 -29.114 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.305 32.751 -28.566 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.383 34.239 -28.495 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.879 34.658 -30.643 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.036 33.202 -31.136 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.571 31.127 -30.224 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.192 31.205 -30.921 1.00 0.00 H new ATOM 454 N ILE A 30 -13.015 32.615 -26.644 1.00 0.00 N ATOM 455 CA ILE A 30 -12.865 32.601 -25.184 1.00 0.00 C ATOM 456 C ILE A 30 -13.435 33.899 -24.609 1.00 0.00 C ATOM 457 O ILE A 30 -12.842 34.969 -24.764 1.00 0.00 O ATOM 458 CB ILE A 30 -11.398 32.389 -24.743 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.702 31.226 -25.482 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.338 32.185 -23.216 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.453 29.893 -25.480 1.00 0.00 C ATOM 0 H ILE A 30 -12.205 33.005 -27.127 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.423 31.751 -24.791 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.846 33.289 -25.015 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.535 31.526 -26.516 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.721 31.070 -25.033 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.303 32.036 -22.909 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.742 33.065 -22.715 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.927 31.310 -22.942 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.874 29.148 -26.026 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.597 29.558 -24.453 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.423 30.021 -25.960 1.00 0.00 H new ATOM 473 N ALA A 31 -14.562 33.799 -23.909 1.00 0.00 N ATOM 474 CA ALA A 31 -15.027 34.849 -23.009 1.00 0.00 C ATOM 475 C ALA A 31 -14.614 34.535 -21.562 1.00 0.00 C ATOM 476 O ALA A 31 -14.434 33.376 -21.182 1.00 0.00 O ATOM 477 CB ALA A 31 -16.541 35.002 -23.150 1.00 0.00 C ATOM 0 H ALA A 31 -15.178 32.987 -23.950 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.562 35.798 -23.277 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.892 35.786 -22.479 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.786 35.269 -24.178 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.027 34.061 -22.894 1.00 0.00 H new ATOM 483 N ARG A 32 -14.487 35.579 -20.745 1.00 0.00 N ATOM 484 CA ARG A 32 -14.352 35.471 -19.284 1.00 0.00 C ATOM 485 C ARG A 32 -15.637 35.943 -18.616 1.00 0.00 C ATOM 486 O ARG A 32 -16.320 36.817 -19.140 1.00 0.00 O ATOM 487 CB ARG A 32 -13.119 36.251 -18.778 1.00 0.00 C ATOM 488 CG ARG A 32 -12.011 35.293 -18.336 1.00 0.00 C ATOM 489 CD ARG A 32 -10.764 36.016 -17.821 1.00 0.00 C ATOM 490 NE ARG A 32 -9.900 35.069 -17.087 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.338 35.214 -15.899 1.00 0.00 C ATOM 492 NH1 ARG A 32 -9.432 36.291 -15.171 1.00 0.00 N ATOM 493 NH2 ARG A 32 -8.654 34.224 -15.404 1.00 0.00 N ATOM 0 H ARG A 32 -14.474 36.542 -21.080 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.191 34.426 -19.017 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.747 36.904 -19.568 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.406 36.891 -17.944 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.395 34.640 -17.552 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.734 34.655 -19.175 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.214 36.451 -18.656 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.054 36.839 -17.167 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.712 34.185 -17.560 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.966 37.091 -15.510 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.972 36.334 -14.262 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.559 33.356 -15.931 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.213 34.316 -14.489 1.00 0.00 H new ATOM 507 N TYR A 33 -15.942 35.412 -17.436 1.00 0.00 N ATOM 508 CA TYR A 33 -17.066 35.854 -16.608 1.00 0.00 C ATOM 509 C TYR A 33 -16.660 35.939 -15.128 1.00 0.00 C ATOM 510 O TYR A 33 -15.960 35.060 -14.623 1.00 0.00 O ATOM 511 CB TYR A 33 -18.271 34.932 -16.803 1.00 0.00 C ATOM 512 CG TYR A 33 -18.851 34.881 -18.200 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.262 34.075 -19.193 1.00 0.00 C ATOM 514 CD2 TYR A 33 -20.014 35.611 -18.489 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.860 33.977 -20.461 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.608 35.525 -19.760 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.054 34.676 -20.734 1.00 0.00 C ATOM 518 OH TYR A 33 -20.701 34.506 -21.912 1.00 0.00 O ATOM 0 H TYR A 33 -15.408 34.650 -17.019 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.354 36.856 -16.927 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.980 33.922 -16.515 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -19.057 35.245 -16.116 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.352 33.533 -18.981 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.455 36.242 -17.731 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.405 33.366 -21.227 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.487 36.109 -19.988 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.379 35.206 -22.017 1.00 0.00 H new ATOM 528 N ARG A 34 -17.094 37.004 -14.440 1.00 0.00 N ATOM 529 CA ARG A 34 -16.796 37.300 -13.025 1.00 0.00 C ATOM 530 C ARG A 34 -18.000 36.995 -12.138 1.00 0.00 C ATOM 531 O ARG A 34 -19.088 37.515 -12.385 1.00 0.00 O ATOM 532 CB ARG A 34 -16.345 38.766 -12.877 1.00 0.00 C ATOM 533 CG ARG A 34 -15.848 39.118 -11.466 1.00 0.00 C ATOM 534 CD ARG A 34 -15.202 40.509 -11.491 1.00 0.00 C ATOM 535 NE ARG A 34 -14.661 40.889 -10.173 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.395 40.896 -9.787 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.402 40.553 -10.558 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.092 41.273 -8.577 1.00 0.00 N ATOM 0 H ARG A 34 -17.687 37.714 -14.869 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.980 36.656 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.549 38.966 -13.594 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.178 39.421 -13.134 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.679 39.102 -10.760 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.127 38.375 -11.126 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.401 40.524 -12.230 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.940 41.246 -11.806 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.345 41.182 -9.475 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.580 40.258 -11.518 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.447 40.580 -10.201 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.829 41.561 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.118 41.280 -8.274 1.00 0.00 H new ATOM 552 N THR A 35 -17.807 36.172 -11.112 1.00 0.00 N ATOM 553 CA THR A 35 -18.844 35.785 -10.137 1.00 0.00 C ATOM 554 C THR A 35 -19.082 36.894 -9.110 1.00 0.00 C ATOM 555 O THR A 35 -18.382 37.909 -9.078 1.00 0.00 O ATOM 556 CB THR A 35 -18.514 34.470 -9.412 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.331 34.610 -8.685 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.374 33.294 -10.367 1.00 0.00 C ATOM 0 H THR A 35 -16.903 35.739 -10.923 1.00 0.00 H new ATOM 0 HA THR A 35 -19.756 35.627 -10.713 1.00 0.00 H new ATOM 0 HB THR A 35 -19.350 34.259 -8.745 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.578 34.716 -9.303 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.141 32.392 -9.801 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.309 33.152 -10.908 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.571 33.495 -11.076 1.00 0.00 H new ATOM 566 N ASP A 36 -20.047 36.689 -8.214 1.00 0.00 N ATOM 567 CA ASP A 36 -20.405 37.680 -7.190 1.00 0.00 C ATOM 568 C ASP A 36 -19.416 37.689 -6.008 1.00 0.00 C ATOM 569 O ASP A 36 -19.393 38.621 -5.202 1.00 0.00 O ATOM 570 CB ASP A 36 -21.853 37.426 -6.745 1.00 0.00 C ATOM 571 CG ASP A 36 -22.394 38.532 -5.819 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.534 39.691 -6.277 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.721 38.234 -4.644 1.00 0.00 O ATOM 0 H ASP A 36 -20.603 35.835 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.336 38.679 -7.621 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.491 37.351 -7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.907 36.467 -6.229 1.00 0.00 H new ATOM 578 N ASN A 37 -18.551 36.670 -5.939 1.00 0.00 N ATOM 579 CA ASN A 37 -17.468 36.526 -4.973 1.00 0.00 C ATOM 580 C ASN A 37 -16.114 37.032 -5.547 1.00 0.00 C ATOM 581 O ASN A 37 -15.052 36.788 -4.974 1.00 0.00 O ATOM 582 CB ASN A 37 -17.521 35.054 -4.536 1.00 0.00 C ATOM 583 CG ASN A 37 -16.584 34.693 -3.403 1.00 0.00 C ATOM 584 OD1 ASN A 37 -16.461 35.386 -2.401 1.00 0.00 O ATOM 585 ND2 ASN A 37 -15.942 33.554 -3.502 1.00 0.00 N ATOM 0 H ASN A 37 -18.594 35.887 -6.591 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.578 37.157 -4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.541 34.816 -4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.288 34.426 -5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.337 33.242 -2.742 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.048 32.980 -4.339 1.00 0.00 H new ATOM 592 N GLY A 38 -16.151 37.727 -6.696 1.00 0.00 N ATOM 593 CA GLY A 38 -14.993 38.266 -7.430 1.00 0.00 C ATOM 594 C GLY A 38 -14.270 37.264 -8.322 1.00 0.00 C ATOM 595 O GLY A 38 -13.258 37.600 -8.937 1.00 0.00 O ATOM 0 H GLY A 38 -17.033 37.939 -7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.329 39.101 -8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.281 38.668 -6.709 1.00 0.00 H new ATOM 599 N GLU A 39 -14.748 36.026 -8.363 1.00 0.00 N ATOM 600 CA GLU A 39 -14.017 34.904 -8.946 1.00 0.00 C ATOM 601 C GLU A 39 -14.232 34.867 -10.457 1.00 0.00 C ATOM 602 O GLU A 39 -15.365 34.747 -10.919 1.00 0.00 O ATOM 603 CB GLU A 39 -14.392 33.570 -8.280 1.00 0.00 C ATOM 604 CG GLU A 39 -14.648 33.682 -6.776 1.00 0.00 C ATOM 605 CD GLU A 39 -14.228 32.399 -6.035 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.017 32.066 -6.010 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.104 31.744 -5.428 1.00 0.00 O ATOM 0 H GLU A 39 -15.662 35.769 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.954 35.053 -8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.285 33.172 -8.762 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.590 32.851 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.097 34.532 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.706 33.876 -6.599 1.00 0.00 H new ATOM 614 N GLU A 40 -13.155 34.973 -11.227 1.00 0.00 N ATOM 615 CA GLU A 40 -13.217 35.001 -12.694 1.00 0.00 C ATOM 616 C GLU A 40 -12.824 33.657 -13.312 1.00 0.00 C ATOM 617 O GLU A 40 -11.773 33.085 -13.007 1.00 0.00 O ATOM 618 CB GLU A 40 -12.309 36.092 -13.275 1.00 0.00 C ATOM 619 CG GLU A 40 -12.947 37.476 -13.175 1.00 0.00 C ATOM 620 CD GLU A 40 -12.056 38.587 -13.759 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.327 38.345 -14.754 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.100 39.714 -13.209 1.00 0.00 O ATOM 0 H GLU A 40 -12.208 35.043 -10.855 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.255 35.217 -12.946 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.357 36.092 -12.745 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.093 35.866 -14.319 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.902 37.469 -13.700 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.159 37.699 -12.129 1.00 0.00 H new ATOM 629 N PHE A 41 -13.678 33.189 -14.225 1.00 0.00 N ATOM 630 CA PHE A 41 -13.531 31.929 -14.956 1.00 0.00 C ATOM 631 C PHE A 41 -13.703 32.127 -16.465 1.00 0.00 C ATOM 632 O PHE A 41 -14.296 33.107 -16.917 1.00 0.00 O ATOM 633 CB PHE A 41 -14.552 30.921 -14.428 1.00 0.00 C ATOM 634 CG PHE A 41 -14.359 30.558 -12.965 1.00 0.00 C ATOM 635 CD1 PHE A 41 -13.486 29.508 -12.624 1.00 0.00 C ATOM 636 CD2 PHE A 41 -15.009 31.273 -11.939 1.00 0.00 C ATOM 637 CE1 PHE A 41 -13.265 29.164 -11.280 1.00 0.00 C ATOM 638 CE2 PHE A 41 -14.807 30.908 -10.602 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.934 29.861 -10.264 1.00 0.00 C ATOM 0 H PHE A 41 -14.523 33.697 -14.485 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.522 31.550 -14.795 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.554 31.329 -14.562 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.495 30.013 -15.028 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -12.980 28.960 -13.405 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -15.660 32.099 -12.183 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -12.582 28.365 -11.030 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -15.330 31.439 -9.820 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.779 29.595 -9.229 1.00 0.00 H new ATOM 649 N GLU A 42 -13.203 31.176 -17.252 1.00 0.00 N ATOM 650 CA GLU A 42 -13.155 31.250 -18.712 1.00 0.00 C ATOM 651 C GLU A 42 -14.137 30.257 -19.337 1.00 0.00 C ATOM 652 O GLU A 42 -14.175 29.080 -18.967 1.00 0.00 O ATOM 653 CB GLU A 42 -11.732 30.995 -19.246 1.00 0.00 C ATOM 654 CG GLU A 42 -10.632 31.785 -18.518 1.00 0.00 C ATOM 655 CD GLU A 42 -9.992 31.097 -17.295 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.292 29.917 -16.988 1.00 0.00 O ATOM 657 OE2 GLU A 42 -9.179 31.778 -16.624 1.00 0.00 O ATOM 0 H GLU A 42 -12.810 30.310 -16.883 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.446 32.261 -18.996 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.512 29.930 -19.166 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.704 31.248 -20.306 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.843 32.012 -19.235 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.052 32.737 -18.194 1.00 0.00 H new ATOM 664 N VAL A 43 -14.916 30.729 -20.307 1.00 0.00 N ATOM 665 CA VAL A 43 -15.905 29.926 -21.031 1.00 0.00 C ATOM 666 C VAL A 43 -15.555 29.925 -22.526 1.00 0.00 C ATOM 667 O VAL A 43 -15.689 30.959 -23.188 1.00 0.00 O ATOM 668 CB VAL A 43 -17.337 30.428 -20.784 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.354 29.470 -21.412 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.658 30.573 -19.290 1.00 0.00 C ATOM 0 H VAL A 43 -14.879 31.699 -20.620 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.872 28.903 -20.657 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.404 31.413 -21.246 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.363 29.839 -21.229 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.180 29.408 -22.486 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.244 28.480 -20.969 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.681 30.930 -19.171 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.552 29.605 -18.800 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.969 31.286 -18.837 1.00 0.00 H new ATOM 680 N PRO A 44 -15.094 28.787 -23.077 1.00 0.00 N ATOM 681 CA PRO A 44 -14.869 28.632 -24.508 1.00 0.00 C ATOM 682 C PRO A 44 -16.203 28.442 -25.252 1.00 0.00 C ATOM 683 O PRO A 44 -17.003 27.563 -24.918 1.00 0.00 O ATOM 684 CB PRO A 44 -13.948 27.413 -24.640 1.00 0.00 C ATOM 685 CG PRO A 44 -14.280 26.563 -23.414 1.00 0.00 C ATOM 686 CD PRO A 44 -14.678 27.591 -22.355 1.00 0.00 C ATOM 0 HA PRO A 44 -14.412 29.514 -24.957 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.136 26.869 -25.566 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.898 27.705 -24.650 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.092 25.865 -23.619 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.423 25.970 -23.094 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.488 27.212 -21.732 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.841 27.809 -21.692 1.00 0.00 H new ATOM 694 N PHE A 45 -16.419 29.247 -26.291 1.00 0.00 N ATOM 695 CA PHE A 45 -17.570 29.183 -27.205 1.00 0.00 C ATOM 696 C PHE A 45 -17.117 28.840 -28.627 1.00 0.00 C ATOM 697 O PHE A 45 -16.091 29.331 -29.085 1.00 0.00 O ATOM 698 CB PHE A 45 -18.318 30.526 -27.201 1.00 0.00 C ATOM 699 CG PHE A 45 -19.185 30.766 -25.977 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.637 31.385 -24.838 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.549 30.404 -25.982 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.444 31.644 -23.721 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.351 30.650 -24.849 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.794 31.263 -23.713 1.00 0.00 C ATOM 0 H PHE A 45 -15.771 29.996 -26.534 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.241 28.397 -26.859 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.589 31.333 -27.277 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -18.946 30.579 -28.090 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.593 31.661 -24.824 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -20.979 29.937 -26.856 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.023 32.141 -22.860 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.393 30.368 -24.854 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.403 31.440 -22.838 1.00 0.00 H new ATOM 714 N ALA A 46 -17.901 28.064 -29.369 1.00 0.00 N ATOM 715 CA ALA A 46 -17.647 27.767 -30.785 1.00 0.00 C ATOM 716 C ALA A 46 -18.252 28.852 -31.694 1.00 0.00 C ATOM 717 O ALA A 46 -19.162 29.572 -31.284 1.00 0.00 O ATOM 718 CB ALA A 46 -18.200 26.373 -31.102 1.00 0.00 C ATOM 0 H ALA A 46 -18.742 27.616 -29.005 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.574 27.770 -30.978 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.018 26.139 -32.151 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.704 25.633 -30.474 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.272 26.354 -30.907 1.00 0.00 H new ATOM 724 N ASP A 47 -17.783 28.969 -32.937 1.00 0.00 N ATOM 725 CA ASP A 47 -18.275 29.945 -33.930 1.00 0.00 C ATOM 726 C ASP A 47 -19.774 29.773 -34.275 1.00 0.00 C ATOM 727 O ASP A 47 -20.427 30.708 -34.741 1.00 0.00 O ATOM 728 CB ASP A 47 -17.397 29.838 -35.184 1.00 0.00 C ATOM 729 CG ASP A 47 -17.766 30.867 -36.268 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.494 32.076 -36.072 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.284 30.463 -37.337 1.00 0.00 O ATOM 0 H ASP A 47 -17.034 28.378 -33.297 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.200 30.942 -33.495 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.353 29.974 -34.902 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.487 28.834 -35.599 1.00 0.00 H new ATOM 736 N ASP A 48 -20.340 28.591 -34.003 1.00 0.00 N ATOM 737 CA ASP A 48 -21.780 28.303 -34.112 1.00 0.00 C ATOM 738 C ASP A 48 -22.627 28.977 -33.003 1.00 0.00 C ATOM 739 O ASP A 48 -23.853 29.058 -33.114 1.00 0.00 O ATOM 740 CB ASP A 48 -21.954 26.777 -34.094 1.00 0.00 C ATOM 741 CG ASP A 48 -23.390 26.331 -34.424 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.855 26.575 -35.565 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.043 25.693 -33.563 1.00 0.00 O ATOM 0 H ASP A 48 -19.797 27.785 -33.693 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.151 28.726 -35.046 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.267 26.330 -34.812 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.679 26.397 -33.110 1.00 0.00 H new ATOM 748 N ALA A 49 -21.978 29.481 -31.947 1.00 0.00 N ATOM 749 CA ALA A 49 -22.573 30.178 -30.803 1.00 0.00 C ATOM 750 C ALA A 49 -22.106 31.647 -30.699 1.00 0.00 C ATOM 751 O ALA A 49 -21.086 32.038 -31.267 1.00 0.00 O ATOM 752 CB ALA A 49 -22.232 29.387 -29.532 1.00 0.00 C ATOM 0 H ALA A 49 -20.964 29.408 -31.864 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.654 30.224 -30.936 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.665 29.887 -28.665 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.639 28.379 -29.610 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.149 29.333 -29.417 1.00 0.00 H new ATOM 758 N GLU A 50 -22.839 32.461 -29.932 1.00 0.00 N ATOM 759 CA GLU A 50 -22.483 33.851 -29.599 1.00 0.00 C ATOM 760 C GLU A 50 -22.633 34.122 -28.094 1.00 0.00 C ATOM 761 O GLU A 50 -23.597 33.682 -27.468 1.00 0.00 O ATOM 762 CB GLU A 50 -23.338 34.851 -30.397 1.00 0.00 C ATOM 763 CG GLU A 50 -22.895 34.948 -31.859 1.00 0.00 C ATOM 764 CD GLU A 50 -23.803 35.908 -32.651 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.509 37.128 -32.701 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.817 35.452 -33.237 1.00 0.00 O ATOM 0 H GLU A 50 -23.721 32.166 -29.513 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.437 33.988 -29.873 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.384 34.548 -30.355 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.273 35.835 -29.933 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.863 35.296 -31.907 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.920 33.959 -32.316 1.00 0.00 H new ATOM 773 N ILE A 51 -21.673 34.870 -27.544 1.00 0.00 N ATOM 774 CA ILE A 51 -21.486 35.212 -26.128 1.00 0.00 C ATOM 775 C ILE A 51 -22.703 35.958 -25.551 1.00 0.00 C ATOM 776 O ILE A 51 -22.949 37.116 -25.908 1.00 0.00 O ATOM 777 CB ILE A 51 -20.214 36.067 -25.906 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.987 35.635 -26.744 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.843 36.089 -24.414 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.445 34.232 -26.466 1.00 0.00 C ATOM 0 H ILE A 51 -20.945 35.287 -28.124 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.372 34.264 -25.602 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.474 37.066 -26.255 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.252 35.698 -27.799 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.185 36.353 -26.574 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.947 36.693 -24.271 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.665 36.518 -23.841 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.653 35.072 -24.071 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.587 34.039 -27.110 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.138 34.161 -25.422 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.223 33.495 -26.667 1.00 0.00 H new ATOM 792 N PRO A 52 -23.472 35.321 -24.658 1.00 0.00 N ATOM 793 CA PRO A 52 -24.492 35.986 -23.861 1.00 0.00 C ATOM 794 C PRO A 52 -23.852 36.867 -22.772 1.00 0.00 C ATOM 795 O PRO A 52 -22.772 36.563 -22.259 1.00 0.00 O ATOM 796 CB PRO A 52 -25.329 34.849 -23.281 1.00 0.00 C ATOM 797 CG PRO A 52 -24.333 33.699 -23.145 1.00 0.00 C ATOM 798 CD PRO A 52 -23.324 33.933 -24.262 1.00 0.00 C ATOM 0 HA PRO A 52 -25.108 36.669 -24.446 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.761 35.121 -22.318 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.157 34.586 -23.939 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.851 33.705 -22.167 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.826 32.733 -23.251 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.309 33.733 -23.918 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.513 33.266 -25.103 1.00 0.00 H new ATOM 806 N GLY A 53 -24.538 37.953 -22.401 1.00 0.00 N ATOM 807 CA GLY A 53 -24.113 38.933 -21.385 1.00 0.00 C ATOM 808 C GLY A 53 -23.666 38.342 -20.039 1.00 0.00 C ATOM 809 O GLY A 53 -22.800 38.914 -19.371 1.00 0.00 O ATOM 0 H GLY A 53 -25.441 38.186 -22.814 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.291 39.521 -21.794 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.938 39.622 -21.203 1.00 0.00 H new ATOM 813 N THR A 54 -24.219 37.194 -19.638 1.00 0.00 N ATOM 814 CA THR A 54 -23.767 36.428 -18.469 1.00 0.00 C ATOM 815 C THR A 54 -23.774 34.909 -18.725 1.00 0.00 C ATOM 816 O THR A 54 -24.445 34.427 -19.643 1.00 0.00 O ATOM 817 CB THR A 54 -24.669 36.692 -17.242 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.007 36.318 -17.507 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.764 38.161 -16.836 1.00 0.00 C ATOM 0 H THR A 54 -25.006 36.762 -20.123 1.00 0.00 H new ATOM 0 HA THR A 54 -22.747 36.762 -18.278 1.00 0.00 H new ATOM 0 HB THR A 54 -24.199 36.109 -16.450 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.463 36.114 -16.664 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.416 38.257 -15.968 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.771 38.535 -16.587 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.173 38.741 -17.663 1.00 0.00 H new ATOM 827 N TRP A 55 -23.026 34.142 -17.919 1.00 0.00 N ATOM 828 CA TRP A 55 -22.885 32.681 -18.031 1.00 0.00 C ATOM 829 C TRP A 55 -22.446 32.031 -16.705 1.00 0.00 C ATOM 830 O TRP A 55 -21.714 32.634 -15.917 1.00 0.00 O ATOM 831 CB TRP A 55 -21.879 32.349 -19.139 1.00 0.00 C ATOM 832 CG TRP A 55 -21.860 30.915 -19.579 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.052 29.958 -19.082 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.659 30.250 -20.606 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.251 28.771 -19.752 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.241 28.888 -20.702 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.684 30.665 -21.478 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.804 27.991 -21.622 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.264 29.775 -22.403 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.824 28.440 -22.478 1.00 0.00 C ATOM 0 H TRP A 55 -22.485 34.532 -17.147 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.864 32.271 -18.279 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.097 32.975 -20.005 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.881 32.619 -18.794 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.349 30.101 -18.274 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.731 27.913 -19.568 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.032 31.686 -21.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.458 26.969 -21.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.051 30.119 -23.058 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.269 27.763 -23.192 1.00 0.00 H new ATOM 851 N LEU A 56 -22.876 30.794 -16.433 1.00 0.00 N ATOM 852 CA LEU A 56 -22.557 30.069 -15.196 1.00 0.00 C ATOM 853 C LEU A 56 -21.063 29.700 -15.120 1.00 0.00 C ATOM 854 O LEU A 56 -20.516 29.061 -16.022 1.00 0.00 O ATOM 855 CB LEU A 56 -23.466 28.829 -15.080 1.00 0.00 C ATOM 856 CG LEU A 56 -24.128 28.656 -13.701 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.158 27.527 -13.756 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.115 28.308 -12.614 1.00 0.00 C ATOM 0 H LEU A 56 -23.463 30.260 -17.074 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.750 30.722 -14.345 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.246 28.892 -15.839 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.877 27.939 -15.302 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.597 29.609 -13.456 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.622 27.410 -12.777 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.923 27.768 -14.494 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.664 26.597 -14.036 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.629 28.196 -11.660 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.615 27.374 -12.868 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.376 29.106 -12.536 1.00 0.00 H new ATOM 870 N CYS A 57 -20.405 30.089 -14.029 1.00 0.00 N ATOM 871 CA CYS A 57 -18.981 29.857 -13.783 1.00 0.00 C ATOM 872 C CYS A 57 -18.710 28.587 -12.965 1.00 0.00 C ATOM 873 O CYS A 57 -19.597 28.051 -12.296 1.00 0.00 O ATOM 874 CB CYS A 57 -18.409 31.084 -13.074 1.00 0.00 C ATOM 875 SG CYS A 57 -18.276 32.443 -14.253 1.00 0.00 S ATOM 0 H CYS A 57 -20.862 30.590 -13.267 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.491 29.702 -14.744 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -19.052 31.370 -12.242 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.430 30.853 -12.655 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.195 33.123 -14.011 1.00 0.00 H new ATOM 881 N ARG A 58 -17.444 28.143 -12.951 1.00 0.00 N ATOM 882 CA ARG A 58 -17.015 26.892 -12.295 1.00 0.00 C ATOM 883 C ARG A 58 -17.149 26.917 -10.762 1.00 0.00 C ATOM 884 O ARG A 58 -17.234 25.857 -10.143 1.00 0.00 O ATOM 885 CB ARG A 58 -15.572 26.516 -12.696 1.00 0.00 C ATOM 886 CG ARG A 58 -15.260 26.641 -14.198 1.00 0.00 C ATOM 887 CD ARG A 58 -13.815 26.230 -14.512 1.00 0.00 C ATOM 888 NE ARG A 58 -13.409 26.734 -15.841 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.352 27.470 -16.137 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.394 27.753 -15.304 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.219 28.003 -17.307 1.00 0.00 N ATOM 0 H ARG A 58 -16.678 28.646 -13.399 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.702 26.127 -12.655 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.880 27.151 -12.143 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.380 25.489 -12.385 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.948 26.015 -14.766 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.424 27.669 -14.520 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.145 26.623 -13.747 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.726 25.144 -14.486 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.016 26.484 -16.622 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.428 27.399 -14.348 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.608 28.329 -15.607 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.936 27.858 -18.018 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.397 28.568 -17.519 1.00 0.00 H new ATOM 905 N ASN A 59 -17.223 28.109 -10.154 1.00 0.00 N ATOM 906 CA ASN A 59 -17.523 28.277 -8.722 1.00 0.00 C ATOM 907 C ASN A 59 -18.987 27.901 -8.363 1.00 0.00 C ATOM 908 O ASN A 59 -19.318 27.636 -7.206 1.00 0.00 O ATOM 909 CB ASN A 59 -17.207 29.739 -8.355 1.00 0.00 C ATOM 910 CG ASN A 59 -17.478 30.142 -6.910 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.393 29.360 -5.974 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.779 31.402 -6.682 1.00 0.00 N ATOM 0 H ASN A 59 -17.076 28.991 -10.644 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.906 27.591 -8.141 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.156 29.928 -8.572 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.789 30.390 -9.007 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.940 31.723 -5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.851 32.058 -7.460 1.00 0.00 H new ATOM 919 N GLY A 60 -19.867 27.825 -9.366 1.00 0.00 N ATOM 920 CA GLY A 60 -21.297 27.512 -9.229 1.00 0.00 C ATOM 921 C GLY A 60 -22.199 28.749 -9.113 1.00 0.00 C ATOM 922 O GLY A 60 -23.368 28.624 -8.743 1.00 0.00 O ATOM 0 H GLY A 60 -19.594 27.986 -10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.614 26.924 -10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.439 26.888 -8.347 1.00 0.00 H new ATOM 926 N MET A 61 -21.665 29.935 -9.429 1.00 0.00 N ATOM 927 CA MET A 61 -22.379 31.215 -9.473 1.00 0.00 C ATOM 928 C MET A 61 -22.513 31.716 -10.916 1.00 0.00 C ATOM 929 O MET A 61 -21.634 31.483 -11.748 1.00 0.00 O ATOM 930 CB MET A 61 -21.655 32.222 -8.562 1.00 0.00 C ATOM 931 CG MET A 61 -22.440 33.523 -8.335 1.00 0.00 C ATOM 932 SD MET A 61 -24.142 33.315 -7.734 1.00 0.00 S ATOM 933 CE MET A 61 -24.692 35.043 -7.750 1.00 0.00 C ATOM 0 H MET A 61 -20.679 30.032 -9.672 1.00 0.00 H new ATOM 0 HA MET A 61 -23.395 31.089 -9.100 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.461 31.752 -7.598 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.686 32.464 -9.000 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.893 34.137 -7.619 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.470 34.077 -9.273 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.725 35.099 -7.407 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.057 35.633 -7.089 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.625 35.437 -8.764 1.00 0.00 H new ATOM 943 N GLU A 62 -23.595 32.434 -11.224 1.00 0.00 N ATOM 944 CA GLU A 62 -23.747 33.119 -12.512 1.00 0.00 C ATOM 945 C GLU A 62 -22.729 34.266 -12.616 1.00 0.00 C ATOM 946 O GLU A 62 -22.815 35.269 -11.902 1.00 0.00 O ATOM 947 CB GLU A 62 -25.194 33.589 -12.724 1.00 0.00 C ATOM 948 CG GLU A 62 -25.408 34.065 -14.170 1.00 0.00 C ATOM 949 CD GLU A 62 -26.856 34.535 -14.416 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.795 33.707 -14.318 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.062 35.732 -14.734 1.00 0.00 O ATOM 0 H GLU A 62 -24.387 32.557 -10.593 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.536 32.417 -13.319 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.882 32.774 -12.499 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.423 34.400 -12.032 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.720 34.882 -14.388 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.168 33.254 -14.858 1.00 0.00 H new ATOM 958 N GLY A 63 -21.740 34.093 -13.490 1.00 0.00 N ATOM 959 CA GLY A 63 -20.724 35.090 -13.797 1.00 0.00 C ATOM 960 C GLY A 63 -21.204 36.108 -14.831 1.00 0.00 C ATOM 961 O GLY A 63 -21.970 35.766 -15.732 1.00 0.00 O ATOM 0 H GLY A 63 -21.622 33.229 -14.018 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.441 35.611 -12.882 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.829 34.591 -14.170 1.00 0.00 H new ATOM 965 N THR A 64 -20.708 37.344 -14.758 1.00 0.00 N ATOM 966 CA THR A 64 -20.984 38.389 -15.761 1.00 0.00 C ATOM 967 C THR A 64 -19.778 38.651 -16.654 1.00 0.00 C ATOM 968 O THR A 64 -18.645 38.703 -16.177 1.00 0.00 O ATOM 969 CB THR A 64 -21.448 39.699 -15.107 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.579 39.466 -14.292 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.849 40.769 -16.129 1.00 0.00 C ATOM 0 H THR A 64 -20.100 37.656 -14.000 1.00 0.00 H new ATOM 0 HA THR A 64 -21.795 38.010 -16.384 1.00 0.00 H new ATOM 0 HB THR A 64 -20.596 40.057 -14.529 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.864 40.308 -13.880 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.167 41.671 -15.606 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.996 41.001 -16.766 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.669 40.397 -16.743 1.00 0.00 H new ATOM 979 N LEU A 65 -20.031 38.815 -17.954 1.00 0.00 N ATOM 980 CA LEU A 65 -19.027 38.979 -19.002 1.00 0.00 C ATOM 981 C LEU A 65 -18.036 40.139 -18.780 1.00 0.00 C ATOM 982 O LEU A 65 -18.426 41.304 -18.668 1.00 0.00 O ATOM 983 CB LEU A 65 -19.794 39.121 -20.330 1.00 0.00 C ATOM 984 CG LEU A 65 -18.934 39.076 -21.602 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.295 37.726 -21.837 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.796 39.430 -22.815 1.00 0.00 C ATOM 0 H LEU A 65 -20.983 38.838 -18.319 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.378 38.103 -19.001 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.536 38.325 -20.387 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.339 40.065 -20.315 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.131 39.800 -21.464 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.701 37.759 -22.750 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.651 37.477 -20.994 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.072 36.968 -21.937 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.185 39.398 -23.717 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.612 38.713 -22.903 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.206 40.432 -22.690 1.00 0.00 H new