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= 0.739 K(o=0.74,f=0) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.491 USER MOD Single : A 35 THR OG1 : rot -72:sc= 0.237 USER MOD Single : A 37 ASN : amide:sc= 0.781 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= -1.36 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 61 MET CE :methyl 176:sc= 0 (180deg=-0.0174) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.333 31.166 -29.502 1.00 0.00 N ATOM 438 CA GLN A 29 -14.386 32.501 -28.898 1.00 0.00 C ATOM 439 C GLN A 29 -14.330 32.373 -27.367 1.00 0.00 C ATOM 440 O GLN A 29 -15.314 32.026 -26.714 1.00 0.00 O ATOM 441 CB GLN A 29 -15.691 33.222 -29.289 1.00 0.00 C ATOM 442 CG GLN A 29 -15.971 33.319 -30.800 1.00 0.00 C ATOM 443 CD GLN A 29 -17.346 32.764 -31.141 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.190 33.420 -31.740 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.603 31.533 -30.765 1.00 0.00 N ATOM 0 HA GLN A 29 -13.536 33.079 -29.261 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.526 32.706 -28.815 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.665 34.231 -28.877 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.907 34.359 -31.118 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.207 32.769 -31.350 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.895 30.994 -30.267 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.511 31.116 -30.971 1.00 0.00 H new ATOM 454 N ILE A 30 -13.167 32.629 -26.783 1.00 0.00 N ATOM 455 CA ILE A 30 -12.948 32.626 -25.337 1.00 0.00 C ATOM 456 C ILE A 30 -13.384 33.979 -24.765 1.00 0.00 C ATOM 457 O ILE A 30 -12.732 35.004 -24.981 1.00 0.00 O ATOM 458 CB ILE A 30 -11.485 32.282 -24.986 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.060 30.852 -25.388 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.274 32.379 -23.460 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.185 30.433 -26.857 1.00 0.00 C ATOM 0 H ILE A 30 -12.325 32.851 -27.314 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.554 31.844 -24.879 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.885 32.998 -25.547 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.018 30.722 -25.095 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.648 30.153 -24.794 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.239 32.135 -23.220 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.495 33.393 -23.126 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.939 31.678 -22.955 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.847 29.403 -26.972 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.226 30.510 -27.170 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.571 31.088 -27.476 1.00 0.00 H new ATOM 473 N ALA A 31 -14.483 33.960 -24.017 1.00 0.00 N ATOM 474 CA ALA A 31 -14.871 35.028 -23.101 1.00 0.00 C ATOM 475 C ALA A 31 -14.439 34.713 -21.655 1.00 0.00 C ATOM 476 O ALA A 31 -14.242 33.553 -21.284 1.00 0.00 O ATOM 477 CB ALA A 31 -16.382 35.240 -23.218 1.00 0.00 C ATOM 0 H ALA A 31 -15.144 33.183 -24.031 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.360 35.952 -23.372 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.691 36.035 -22.540 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.632 35.518 -24.242 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.900 34.318 -22.956 1.00 0.00 H new ATOM 483 N ARG A 32 -14.340 35.752 -20.821 1.00 0.00 N ATOM 484 CA ARG A 32 -14.211 35.644 -19.356 1.00 0.00 C ATOM 485 C ARG A 32 -15.490 36.129 -18.673 1.00 0.00 C ATOM 486 O ARG A 32 -16.154 37.029 -19.184 1.00 0.00 O ATOM 487 CB ARG A 32 -12.962 36.402 -18.849 1.00 0.00 C ATOM 488 CG ARG A 32 -11.841 35.409 -18.528 1.00 0.00 C ATOM 489 CD ARG A 32 -10.551 36.055 -18.015 1.00 0.00 C ATOM 490 NE ARG A 32 -9.690 35.050 -17.363 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.419 35.162 -17.028 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.711 36.231 -17.259 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.841 34.162 -16.433 1.00 0.00 N ATOM 0 H ARG A 32 -14.347 36.718 -21.149 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.072 34.595 -19.095 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.625 37.111 -19.605 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.213 36.980 -17.959 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.201 34.702 -17.780 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.613 34.834 -19.426 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.015 36.518 -18.844 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.792 36.849 -17.308 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.133 34.157 -17.144 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.137 37.035 -17.720 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.731 36.264 -16.979 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.369 33.312 -16.234 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.859 34.227 -16.165 1.00 0.00 H new ATOM 507 N TYR A 33 -15.803 35.581 -17.501 1.00 0.00 N ATOM 508 CA TYR A 33 -16.940 35.994 -16.672 1.00 0.00 C ATOM 509 C TYR A 33 -16.562 36.020 -15.186 1.00 0.00 C ATOM 510 O TYR A 33 -15.846 35.138 -14.704 1.00 0.00 O ATOM 511 CB TYR A 33 -18.146 35.072 -16.882 1.00 0.00 C ATOM 512 CG TYR A 33 -18.722 35.025 -18.280 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.100 34.263 -19.285 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.914 35.712 -18.556 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.687 34.176 -20.560 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.492 35.643 -19.833 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.901 34.842 -20.826 1.00 0.00 C ATOM 518 OH TYR A 33 -20.528 34.693 -22.016 1.00 0.00 O ATOM 0 H TYR A 33 -15.263 34.820 -17.089 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.213 37.002 -16.982 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.856 34.060 -16.598 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.936 35.381 -16.197 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.174 33.746 -19.078 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.389 36.297 -17.782 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.207 33.598 -21.336 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.389 36.204 -20.052 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.218 35.383 -22.111 1.00 0.00 H new ATOM 528 N ARG A 34 -17.059 37.025 -14.454 1.00 0.00 N ATOM 529 CA ARG A 34 -16.784 37.263 -13.028 1.00 0.00 C ATOM 530 C ARG A 34 -17.997 36.948 -12.159 1.00 0.00 C ATOM 531 O ARG A 34 -19.084 37.465 -12.413 1.00 0.00 O ATOM 532 CB ARG A 34 -16.294 38.709 -12.829 1.00 0.00 C ATOM 533 CG ARG A 34 -15.701 38.893 -11.423 1.00 0.00 C ATOM 534 CD ARG A 34 -14.835 40.155 -11.319 1.00 0.00 C ATOM 535 NE ARG A 34 -13.860 40.021 -10.221 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.183 40.970 -9.609 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.334 42.235 -9.890 1.00 0.00 N ATOM 538 NH2 ARG A 34 -12.333 40.645 -8.679 1.00 0.00 N ATOM 0 H ARG A 34 -17.688 37.722 -14.852 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.994 36.584 -12.707 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.542 38.950 -13.581 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.123 39.402 -12.973 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.510 38.948 -10.694 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.100 38.020 -11.167 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.311 40.323 -12.260 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.468 41.025 -11.147 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.688 39.071 -9.893 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.998 42.522 -10.609 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.788 42.937 -9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.198 39.665 -8.432 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.802 41.371 -8.197 1.00 0.00 H new ATOM 552 N THR A 35 -17.802 36.112 -11.144 1.00 0.00 N ATOM 553 CA THR A 35 -18.845 35.691 -10.189 1.00 0.00 C ATOM 554 C THR A 35 -19.109 36.776 -9.142 1.00 0.00 C ATOM 555 O THR A 35 -18.422 37.799 -9.080 1.00 0.00 O ATOM 556 CB THR A 35 -18.510 34.364 -9.491 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.342 34.503 -8.739 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.338 33.214 -10.471 1.00 0.00 C ATOM 0 H THR A 35 -16.893 35.692 -10.950 1.00 0.00 H new ATOM 0 HA THR A 35 -19.748 35.534 -10.779 1.00 0.00 H new ATOM 0 HB THR A 35 -19.354 34.125 -8.845 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.571 34.567 -9.341 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.103 32.301 -9.923 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.262 33.073 -11.032 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.526 33.443 -11.161 1.00 0.00 H new ATOM 566 N ASP A 36 -20.083 36.541 -8.264 1.00 0.00 N ATOM 567 CA ASP A 36 -20.468 37.503 -7.221 1.00 0.00 C ATOM 568 C ASP A 36 -19.510 37.477 -6.012 1.00 0.00 C ATOM 569 O ASP A 36 -19.513 38.382 -5.176 1.00 0.00 O ATOM 570 CB ASP A 36 -21.924 37.236 -6.817 1.00 0.00 C ATOM 571 CG ASP A 36 -22.493 38.317 -5.880 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.617 39.489 -6.311 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.858 37.989 -4.724 1.00 0.00 O ATOM 0 H ASP A 36 -20.630 35.680 -8.252 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.389 38.513 -7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.540 37.179 -7.714 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.987 36.266 -6.325 1.00 0.00 H new ATOM 578 N ASN A 37 -18.642 36.462 -5.953 1.00 0.00 N ATOM 579 CA ASN A 37 -17.590 36.282 -4.959 1.00 0.00 C ATOM 580 C ASN A 37 -16.224 36.809 -5.473 1.00 0.00 C ATOM 581 O ASN A 37 -15.177 36.549 -4.876 1.00 0.00 O ATOM 582 CB ASN A 37 -17.649 34.794 -4.582 1.00 0.00 C ATOM 583 CG ASN A 37 -16.754 34.396 -3.426 1.00 0.00 C ATOM 584 OD1 ASN A 37 -16.690 35.044 -2.390 1.00 0.00 O ATOM 585 ND2 ASN A 37 -16.086 33.275 -3.547 1.00 0.00 N ATOM 0 H ASN A 37 -18.659 35.705 -6.637 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.732 36.877 -4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.678 34.538 -4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.376 34.201 -5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.509 32.939 -2.776 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.143 32.738 -4.413 1.00 0.00 H new ATOM 592 N GLY A 38 -16.230 37.544 -6.598 1.00 0.00 N ATOM 593 CA GLY A 38 -15.057 38.118 -7.276 1.00 0.00 C ATOM 594 C GLY A 38 -14.329 37.170 -8.220 1.00 0.00 C ATOM 595 O GLY A 38 -13.332 37.561 -8.828 1.00 0.00 O ATOM 0 H GLY A 38 -17.099 37.765 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.376 38.994 -7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.353 38.465 -6.520 1.00 0.00 H new ATOM 599 N GLU A 39 -14.793 35.929 -8.327 1.00 0.00 N ATOM 600 CA GLU A 39 -14.043 34.830 -8.934 1.00 0.00 C ATOM 601 C GLU A 39 -14.225 34.821 -10.450 1.00 0.00 C ATOM 602 O GLU A 39 -15.347 34.710 -10.943 1.00 0.00 O ATOM 603 CB GLU A 39 -14.412 33.474 -8.311 1.00 0.00 C ATOM 604 CG GLU A 39 -14.688 33.543 -6.805 1.00 0.00 C ATOM 605 CD GLU A 39 -14.267 32.245 -6.093 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.054 31.922 -6.064 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.144 31.568 -5.513 1.00 0.00 O ATOM 0 H GLU A 39 -15.715 35.652 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.986 34.995 -8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.294 33.080 -8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.601 32.769 -8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.149 34.387 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.750 33.723 -6.637 1.00 0.00 H new ATOM 614 N GLU A 40 -13.132 34.952 -11.191 1.00 0.00 N ATOM 615 CA GLU A 40 -13.155 35.061 -12.657 1.00 0.00 C ATOM 616 C GLU A 40 -12.762 33.736 -13.328 1.00 0.00 C ATOM 617 O GLU A 40 -11.717 33.150 -13.028 1.00 0.00 O ATOM 618 CB GLU A 40 -12.199 36.171 -13.117 1.00 0.00 C ATOM 619 CG GLU A 40 -12.682 37.558 -12.693 1.00 0.00 C ATOM 620 CD GLU A 40 -11.634 38.636 -13.027 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.521 39.032 -14.212 1.00 0.00 O ATOM 622 OE2 GLU A 40 -10.913 39.091 -12.106 1.00 0.00 O ATOM 0 H GLU A 40 -12.193 34.987 -10.795 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.175 35.305 -12.954 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.208 35.990 -12.702 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.101 36.138 -14.202 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.620 37.790 -13.197 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.886 37.564 -11.622 1.00 0.00 H new ATOM 629 N PHE A 41 -13.608 33.283 -14.259 1.00 0.00 N ATOM 630 CA PHE A 41 -13.454 32.043 -15.029 1.00 0.00 C ATOM 631 C PHE A 41 -13.579 32.292 -16.534 1.00 0.00 C ATOM 632 O PHE A 41 -14.130 33.303 -16.969 1.00 0.00 O ATOM 633 CB PHE A 41 -14.503 31.020 -14.579 1.00 0.00 C ATOM 634 CG PHE A 41 -14.356 30.562 -13.140 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.955 31.281 -12.086 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.598 29.412 -12.851 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.783 30.847 -10.766 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.409 28.995 -11.521 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.002 29.717 -10.474 1.00 0.00 C ATOM 0 H PHE A 41 -14.456 33.792 -14.508 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.454 31.653 -14.839 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.495 31.453 -14.710 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.447 30.149 -15.232 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.544 32.162 -12.295 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.158 28.845 -13.658 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.258 31.389 -9.961 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.810 28.122 -11.306 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.859 29.406 -9.450 1.00 0.00 H new ATOM 649 N GLU A 42 -13.108 31.339 -17.337 1.00 0.00 N ATOM 650 CA GLU A 42 -13.095 31.415 -18.796 1.00 0.00 C ATOM 651 C GLU A 42 -14.100 30.439 -19.409 1.00 0.00 C ATOM 652 O GLU A 42 -14.192 29.279 -18.997 1.00 0.00 O ATOM 653 CB GLU A 42 -11.697 31.108 -19.356 1.00 0.00 C ATOM 654 CG GLU A 42 -10.582 31.935 -18.706 1.00 0.00 C ATOM 655 CD GLU A 42 -9.934 31.307 -17.459 1.00 0.00 C ATOM 656 OE1 GLU A 42 -9.660 30.083 -17.429 1.00 0.00 O ATOM 657 OE2 GLU A 42 -9.664 32.077 -16.506 1.00 0.00 O ATOM 0 H GLU A 42 -12.714 30.469 -16.980 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.374 32.434 -19.063 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.482 30.049 -19.214 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.696 31.293 -20.430 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.804 32.112 -19.449 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.988 32.909 -18.432 1.00 0.00 H new ATOM 664 N VAL A 43 -14.831 30.909 -20.419 1.00 0.00 N ATOM 665 CA VAL A 43 -15.814 30.115 -21.168 1.00 0.00 C ATOM 666 C VAL A 43 -15.481 30.146 -22.669 1.00 0.00 C ATOM 667 O VAL A 43 -15.667 31.182 -23.316 1.00 0.00 O ATOM 668 CB VAL A 43 -17.250 30.598 -20.902 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.263 29.644 -21.544 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.566 30.720 -19.404 1.00 0.00 C ATOM 0 H VAL A 43 -14.758 31.871 -20.749 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.758 29.083 -20.822 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.327 31.590 -21.346 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.274 30.000 -21.346 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.096 29.606 -22.620 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.141 28.646 -21.122 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.592 31.064 -19.275 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.447 29.747 -18.927 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.883 31.435 -18.945 1.00 0.00 H new ATOM 680 N PRO A 44 -14.989 29.032 -23.248 1.00 0.00 N ATOM 681 CA PRO A 44 -14.803 28.892 -24.689 1.00 0.00 C ATOM 682 C PRO A 44 -16.136 28.575 -25.389 1.00 0.00 C ATOM 683 O PRO A 44 -16.748 27.529 -25.157 1.00 0.00 O ATOM 684 CB PRO A 44 -13.767 27.774 -24.853 1.00 0.00 C ATOM 685 CG PRO A 44 -13.970 26.896 -23.617 1.00 0.00 C ATOM 686 CD PRO A 44 -14.472 27.865 -22.545 1.00 0.00 C ATOM 0 HA PRO A 44 -14.454 29.813 -25.156 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.929 27.212 -25.773 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.753 28.173 -24.897 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.693 26.103 -23.807 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.040 26.414 -23.314 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.250 27.402 -21.938 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.665 28.146 -21.868 1.00 0.00 H new ATOM 694 N PHE A 45 -16.566 29.465 -26.284 1.00 0.00 N ATOM 695 CA PHE A 45 -17.737 29.294 -27.154 1.00 0.00 C ATOM 696 C PHE A 45 -17.325 28.859 -28.559 1.00 0.00 C ATOM 697 O PHE A 45 -16.388 29.407 -29.128 1.00 0.00 O ATOM 698 CB PHE A 45 -18.514 30.610 -27.237 1.00 0.00 C ATOM 699 CG PHE A 45 -19.302 30.931 -25.986 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.684 31.595 -24.909 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.660 30.569 -25.900 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.434 31.919 -23.769 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.403 30.883 -24.748 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.787 31.562 -23.684 1.00 0.00 C ATOM 0 H PHE A 45 -16.094 30.357 -26.431 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.367 28.515 -26.724 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.815 31.423 -27.434 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.198 30.565 -28.085 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.637 31.854 -24.961 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.132 30.049 -26.721 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.966 32.447 -22.951 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.444 30.603 -24.682 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.356 31.809 -22.800 1.00 0.00 H new ATOM 714 N ALA A 46 -18.071 27.947 -29.168 1.00 0.00 N ATOM 715 CA ALA A 46 -17.838 27.483 -30.540 1.00 0.00 C ATOM 716 C ALA A 46 -18.449 28.445 -31.571 1.00 0.00 C ATOM 717 O ALA A 46 -19.330 29.235 -31.242 1.00 0.00 O ATOM 718 CB ALA A 46 -18.370 26.053 -30.662 1.00 0.00 C ATOM 0 H ALA A 46 -18.870 27.498 -28.720 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.770 27.474 -30.758 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.206 25.689 -31.676 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.846 25.408 -29.956 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.437 26.042 -30.441 1.00 0.00 H new ATOM 724 N ASP A 47 -17.999 28.378 -32.825 1.00 0.00 N ATOM 725 CA ASP A 47 -18.422 29.262 -33.925 1.00 0.00 C ATOM 726 C ASP A 47 -19.940 29.233 -34.208 1.00 0.00 C ATOM 727 O ASP A 47 -20.491 30.185 -34.762 1.00 0.00 O ATOM 728 CB ASP A 47 -17.642 28.846 -35.178 1.00 0.00 C ATOM 729 CG ASP A 47 -17.905 29.760 -36.384 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.433 30.919 -36.358 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.536 29.304 -37.368 1.00 0.00 O ATOM 0 H ASP A 47 -17.308 27.687 -33.118 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.206 30.289 -33.632 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.576 28.850 -34.953 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.908 27.822 -35.441 1.00 0.00 H new ATOM 736 N ASP A 48 -20.630 28.167 -33.792 1.00 0.00 N ATOM 737 CA ASP A 48 -22.097 28.048 -33.896 1.00 0.00 C ATOM 738 C ASP A 48 -22.869 28.808 -32.797 1.00 0.00 C ATOM 739 O ASP A 48 -24.087 28.989 -32.892 1.00 0.00 O ATOM 740 CB ASP A 48 -22.493 26.569 -33.940 1.00 0.00 C ATOM 741 CG ASP A 48 -22.246 25.826 -32.618 1.00 0.00 C ATOM 742 OD1 ASP A 48 -21.132 25.282 -32.438 1.00 0.00 O ATOM 743 OD2 ASP A 48 -23.169 25.761 -31.770 1.00 0.00 O ATOM 0 H ASP A 48 -20.187 27.352 -33.369 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.388 28.533 -34.828 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -23.549 26.492 -34.198 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.934 26.075 -34.735 1.00 0.00 H new ATOM 748 N ALA A 49 -22.151 29.275 -31.774 1.00 0.00 N ATOM 749 CA ALA A 49 -22.645 30.055 -30.638 1.00 0.00 C ATOM 750 C ALA A 49 -22.009 31.460 -30.563 1.00 0.00 C ATOM 751 O ALA A 49 -20.913 31.696 -31.075 1.00 0.00 O ATOM 752 CB ALA A 49 -22.389 29.257 -29.353 1.00 0.00 C ATOM 0 H ALA A 49 -21.147 29.108 -31.713 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.714 30.222 -30.767 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.751 29.823 -28.495 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.914 28.303 -29.406 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.320 29.077 -29.244 1.00 0.00 H new ATOM 758 N GLU A 50 -22.681 32.397 -29.886 1.00 0.00 N ATOM 759 CA GLU A 50 -22.171 33.750 -29.612 1.00 0.00 C ATOM 760 C GLU A 50 -22.438 34.187 -28.166 1.00 0.00 C ATOM 761 O GLU A 50 -23.459 33.842 -27.573 1.00 0.00 O ATOM 762 CB GLU A 50 -22.741 34.785 -30.598 1.00 0.00 C ATOM 763 CG GLU A 50 -22.157 34.570 -31.997 1.00 0.00 C ATOM 764 CD GLU A 50 -22.530 35.666 -33.012 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.674 36.181 -33.003 1.00 0.00 O ATOM 766 OE2 GLU A 50 -21.658 35.991 -33.856 1.00 0.00 O ATOM 0 H GLU A 50 -23.613 32.236 -29.505 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.091 33.704 -29.752 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.827 34.702 -30.634 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.510 35.792 -30.252 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.071 34.516 -31.921 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.499 33.607 -32.377 1.00 0.00 H new ATOM 773 N ILE A 51 -21.489 34.958 -27.629 1.00 0.00 N ATOM 774 CA ILE A 51 -21.327 35.356 -26.224 1.00 0.00 C ATOM 775 C ILE A 51 -22.563 36.097 -25.680 1.00 0.00 C ATOM 776 O ILE A 51 -22.823 37.243 -26.068 1.00 0.00 O ATOM 777 CB ILE A 51 -20.071 36.238 -26.022 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.829 35.781 -26.828 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.728 36.344 -24.525 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.291 34.386 -26.506 1.00 0.00 C ATOM 0 H ILE A 51 -20.752 35.354 -28.212 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.207 34.429 -25.663 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.333 37.219 -26.419 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.077 35.816 -27.889 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.029 36.503 -26.664 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.843 36.967 -24.398 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.566 36.791 -23.990 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.532 35.349 -24.125 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.423 34.177 -27.131 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.001 34.341 -25.456 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.065 33.644 -26.700 1.00 0.00 H new ATOM 792 N PRO A 52 -23.326 35.473 -24.771 1.00 0.00 N ATOM 793 CA PRO A 52 -24.341 36.151 -23.979 1.00 0.00 C ATOM 794 C PRO A 52 -23.695 37.023 -22.886 1.00 0.00 C ATOM 795 O PRO A 52 -22.622 36.706 -22.367 1.00 0.00 O ATOM 796 CB PRO A 52 -25.192 35.021 -23.400 1.00 0.00 C ATOM 797 CG PRO A 52 -24.210 33.862 -23.257 1.00 0.00 C ATOM 798 CD PRO A 52 -23.181 34.091 -24.357 1.00 0.00 C ATOM 0 HA PRO A 52 -24.946 36.841 -24.567 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.626 35.299 -22.439 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.020 34.765 -24.061 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.743 33.858 -22.272 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.711 32.901 -23.377 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.172 33.899 -23.991 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.351 33.415 -25.195 1.00 0.00 H new ATOM 806 N GLY A 53 -24.377 38.108 -22.511 1.00 0.00 N ATOM 807 CA GLY A 53 -23.965 39.070 -21.473 1.00 0.00 C ATOM 808 C GLY A 53 -23.549 38.448 -20.131 1.00 0.00 C ATOM 809 O GLY A 53 -22.696 39.000 -19.430 1.00 0.00 O ATOM 0 H GLY A 53 -25.270 38.355 -22.938 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.131 39.658 -21.856 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.788 39.762 -21.295 1.00 0.00 H new ATOM 813 N THR A 54 -24.119 37.296 -19.768 1.00 0.00 N ATOM 814 CA THR A 54 -23.705 36.508 -18.600 1.00 0.00 C ATOM 815 C THR A 54 -23.709 34.992 -18.871 1.00 0.00 C ATOM 816 O THR A 54 -24.366 34.517 -19.802 1.00 0.00 O ATOM 817 CB THR A 54 -24.642 36.762 -17.398 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.971 36.399 -17.722 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.743 38.225 -16.971 1.00 0.00 C ATOM 0 H THR A 54 -24.893 36.877 -20.284 1.00 0.00 H new ATOM 0 HA THR A 54 -22.688 36.832 -18.379 1.00 0.00 H new ATOM 0 HB THR A 54 -24.202 36.170 -16.596 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.552 36.564 -16.951 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.421 38.310 -16.122 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.756 38.590 -16.686 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.124 38.821 -17.801 1.00 0.00 H new ATOM 827 N TRP A 55 -22.971 34.223 -18.060 1.00 0.00 N ATOM 828 CA TRP A 55 -22.815 32.764 -18.185 1.00 0.00 C ATOM 829 C TRP A 55 -22.397 32.105 -16.854 1.00 0.00 C ATOM 830 O TRP A 55 -21.689 32.711 -16.052 1.00 0.00 O ATOM 831 CB TRP A 55 -21.779 32.454 -19.270 1.00 0.00 C ATOM 832 CG TRP A 55 -21.747 31.024 -19.713 1.00 0.00 C ATOM 833 CD1 TRP A 55 -20.946 30.066 -19.202 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.545 30.354 -20.739 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.136 28.879 -19.875 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.128 28.991 -20.825 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.574 30.764 -21.612 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.694 28.086 -21.736 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.160 29.863 -22.523 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.720 28.528 -22.589 1.00 0.00 C ATOM 0 H TRP A 55 -22.449 34.609 -17.273 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.784 32.348 -18.461 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -21.980 33.084 -20.136 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.791 32.728 -18.899 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.256 30.209 -18.384 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.609 28.025 -19.693 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.919 31.787 -21.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.346 27.065 -21.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.952 30.199 -23.175 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.170 27.844 -23.294 1.00 0.00 H new ATOM 851 N LEU A 56 -22.818 30.862 -16.594 1.00 0.00 N ATOM 852 CA LEU A 56 -22.499 30.129 -15.361 1.00 0.00 C ATOM 853 C LEU A 56 -21.010 29.731 -15.294 1.00 0.00 C ATOM 854 O LEU A 56 -20.481 29.082 -16.200 1.00 0.00 O ATOM 855 CB LEU A 56 -23.434 28.907 -15.246 1.00 0.00 C ATOM 856 CG LEU A 56 -24.085 28.741 -13.863 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.180 27.676 -13.922 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.076 28.312 -12.802 1.00 0.00 C ATOM 0 H LEU A 56 -23.398 30.329 -17.242 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.668 30.783 -14.505 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.219 28.992 -15.997 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.867 28.006 -15.479 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.497 29.713 -13.592 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.634 27.566 -12.937 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.941 27.977 -14.642 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.746 26.724 -14.229 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.580 28.207 -11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.634 27.357 -13.086 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.292 29.065 -12.720 1.00 0.00 H new ATOM 870 N CYS A 57 -20.340 30.098 -14.203 1.00 0.00 N ATOM 871 CA CYS A 57 -18.917 29.841 -13.966 1.00 0.00 C ATOM 872 C CYS A 57 -18.669 28.551 -13.169 1.00 0.00 C ATOM 873 O CYS A 57 -19.561 28.039 -12.488 1.00 0.00 O ATOM 874 CB CYS A 57 -18.309 31.045 -13.239 1.00 0.00 C ATOM 875 SG CYS A 57 -18.182 32.452 -14.368 1.00 0.00 S ATOM 0 H CYS A 57 -20.785 30.599 -13.434 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.436 29.699 -14.934 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.926 31.312 -12.381 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.322 30.787 -12.854 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.667 33.467 -13.740 1.00 0.00 H new ATOM 881 N ARG A 58 -17.420 28.060 -13.181 1.00 0.00 N ATOM 882 CA ARG A 58 -17.028 26.792 -12.529 1.00 0.00 C ATOM 883 C ARG A 58 -17.080 26.825 -10.992 1.00 0.00 C ATOM 884 O ARG A 58 -17.107 25.763 -10.369 1.00 0.00 O ATOM 885 CB ARG A 58 -15.643 26.323 -13.017 1.00 0.00 C ATOM 886 CG ARG A 58 -15.520 26.219 -14.548 1.00 0.00 C ATOM 887 CD ARG A 58 -14.156 25.663 -14.982 1.00 0.00 C ATOM 888 NE ARG A 58 -13.986 24.243 -14.610 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.870 23.537 -14.675 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.748 24.047 -15.100 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.860 22.287 -14.311 1.00 0.00 N ATOM 0 H ARG A 58 -16.645 28.532 -13.646 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.784 26.068 -12.834 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.886 27.015 -12.648 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.425 25.349 -12.578 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.312 25.576 -14.932 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.667 27.204 -14.991 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.050 25.769 -16.062 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.363 26.254 -14.524 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.815 23.757 -14.268 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.711 25.022 -15.397 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.907 23.471 -15.136 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.716 21.847 -13.973 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.996 21.747 -14.363 1.00 0.00 H new ATOM 905 N ASN A 59 -17.167 28.012 -10.375 1.00 0.00 N ATOM 906 CA ASN A 59 -17.462 28.151 -8.938 1.00 0.00 C ATOM 907 C ASN A 59 -18.917 27.733 -8.583 1.00 0.00 C ATOM 908 O ASN A 59 -19.242 27.440 -7.433 1.00 0.00 O ATOM 909 CB ASN A 59 -17.194 29.616 -8.546 1.00 0.00 C ATOM 910 CG ASN A 59 -17.466 29.978 -7.089 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.361 29.176 -6.172 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.795 31.224 -6.830 1.00 0.00 N ATOM 0 H ASN A 59 -17.035 28.902 -10.855 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.818 27.477 -8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.152 29.846 -8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.805 30.259 -9.180 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.961 31.518 -5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.884 31.897 -7.591 1.00 0.00 H new ATOM 919 N GLY A 60 -19.792 27.653 -9.589 1.00 0.00 N ATOM 920 CA GLY A 60 -21.220 27.334 -9.456 1.00 0.00 C ATOM 921 C GLY A 60 -22.120 28.570 -9.316 1.00 0.00 C ATOM 922 O GLY A 60 -23.290 28.436 -8.950 1.00 0.00 O ATOM 0 H GLY A 60 -19.516 27.815 -10.558 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.538 26.762 -10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.360 26.693 -8.585 1.00 0.00 H new ATOM 926 N MET A 61 -21.587 29.765 -9.602 1.00 0.00 N ATOM 927 CA MET A 61 -22.302 31.042 -9.608 1.00 0.00 C ATOM 928 C MET A 61 -22.435 31.599 -11.031 1.00 0.00 C ATOM 929 O MET A 61 -21.558 31.402 -11.873 1.00 0.00 O ATOM 930 CB MET A 61 -21.585 32.022 -8.665 1.00 0.00 C ATOM 931 CG MET A 61 -22.375 33.313 -8.400 1.00 0.00 C ATOM 932 SD MET A 61 -24.083 33.079 -7.828 1.00 0.00 S ATOM 933 CE MET A 61 -24.659 34.798 -7.835 1.00 0.00 C ATOM 0 H MET A 61 -20.602 29.870 -9.846 1.00 0.00 H new ATOM 0 HA MET A 61 -23.319 30.892 -9.245 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.392 31.523 -7.715 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.616 32.280 -9.092 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.838 33.901 -7.656 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.395 33.901 -9.317 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.717 34.828 -7.576 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.090 35.375 -7.106 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.516 35.226 -8.827 1.00 0.00 H new ATOM 943 N GLU A 62 -23.515 32.331 -11.300 1.00 0.00 N ATOM 944 CA GLU A 62 -23.699 33.074 -12.551 1.00 0.00 C ATOM 945 C GLU A 62 -22.665 34.207 -12.648 1.00 0.00 C ATOM 946 O GLU A 62 -22.715 35.185 -11.897 1.00 0.00 O ATOM 947 CB GLU A 62 -25.136 33.611 -12.653 1.00 0.00 C ATOM 948 CG GLU A 62 -26.163 32.481 -12.810 1.00 0.00 C ATOM 949 CD GLU A 62 -27.590 33.046 -12.945 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.269 33.251 -11.908 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.050 33.284 -14.089 1.00 0.00 O ATOM 0 H GLU A 62 -24.296 32.427 -10.651 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.540 32.400 -13.393 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.370 34.192 -11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.210 34.289 -13.503 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.920 31.884 -13.689 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.112 31.816 -11.948 1.00 0.00 H new ATOM 958 N GLY A 63 -21.706 34.059 -13.563 1.00 0.00 N ATOM 959 CA GLY A 63 -20.697 35.064 -13.878 1.00 0.00 C ATOM 960 C GLY A 63 -21.201 36.093 -14.892 1.00 0.00 C ATOM 961 O GLY A 63 -21.976 35.764 -15.793 1.00 0.00 O ATOM 0 H GLY A 63 -21.609 33.210 -14.120 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.398 35.575 -12.963 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.808 34.572 -14.273 1.00 0.00 H new ATOM 965 N THR A 64 -20.720 37.333 -14.799 1.00 0.00 N ATOM 966 CA THR A 64 -20.994 38.389 -15.790 1.00 0.00 C ATOM 967 C THR A 64 -19.774 38.666 -16.657 1.00 0.00 C ATOM 968 O THR A 64 -18.653 38.679 -16.154 1.00 0.00 O ATOM 969 CB THR A 64 -21.458 39.689 -15.118 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.602 39.447 -14.324 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.834 40.787 -16.121 1.00 0.00 C ATOM 0 H THR A 64 -20.124 37.641 -14.030 1.00 0.00 H new ATOM 0 HA THR A 64 -21.800 38.022 -16.426 1.00 0.00 H new ATOM 0 HB THR A 64 -20.611 40.029 -14.522 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.888 40.282 -13.899 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.153 41.679 -15.582 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.969 41.027 -16.739 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.648 40.437 -16.756 1.00 0.00 H new ATOM 979 N LEU A 65 -19.990 38.887 -17.954 1.00 0.00 N ATOM 980 CA LEU A 65 -18.954 39.131 -18.956 1.00 0.00 C ATOM 981 C LEU A 65 -18.087 40.366 -18.629 1.00 0.00 C ATOM 982 O LEU A 65 -18.607 41.477 -18.496 1.00 0.00 O ATOM 983 CB LEU A 65 -19.686 39.260 -20.307 1.00 0.00 C ATOM 984 CG LEU A 65 -18.788 39.288 -21.552 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.206 37.924 -21.858 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.597 39.742 -22.768 1.00 0.00 C ATOM 0 H LEU A 65 -20.930 38.901 -18.350 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.240 38.308 -18.980 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.382 38.427 -20.403 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.281 40.173 -20.291 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.974 39.982 -21.344 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.577 37.988 -22.746 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.607 37.586 -21.012 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.015 37.215 -22.036 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.953 39.759 -23.647 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.422 39.049 -22.936 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.993 40.741 -22.589 1.00 0.00 H new