USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=7 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 -63:sc= 0.322 USER MOD Set 1.2: A 37 ASN : amide:sc= 1.07 K(o=1.3,f=0.43) USER MOD Set 1.3: A 59 ASN :FLIP amide:sc= -0.0617 F(o=0.43,f=1.3) USER MOD Single : A 29 GLN : amide:sc= 0.707 K(o=0.71,f=0.00044) USER MOD Single : A 33 TYR OH : rot -165:sc= 0.488 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 61 MET CE :methyl 176:sc= 0 (180deg=-0.0163) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.269 31.227 -29.480 1.00 0.00 N ATOM 438 CA GLN A 29 -14.260 32.508 -28.763 1.00 0.00 C ATOM 439 C GLN A 29 -14.204 32.256 -27.248 1.00 0.00 C ATOM 440 O GLN A 29 -15.201 31.887 -26.629 1.00 0.00 O ATOM 441 CB GLN A 29 -15.541 33.315 -29.068 1.00 0.00 C ATOM 442 CG GLN A 29 -15.849 33.546 -30.556 1.00 0.00 C ATOM 443 CD GLN A 29 -17.209 32.974 -30.938 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.077 33.650 -31.470 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.427 31.706 -30.664 1.00 0.00 N ATOM 0 HA GLN A 29 -13.386 33.070 -29.091 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.389 32.799 -28.617 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.461 34.285 -28.578 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.828 34.614 -30.772 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.073 33.083 -31.166 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.698 31.148 -30.220 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.325 31.281 -30.896 1.00 0.00 H new ATOM 454 N ILE A 30 -13.045 32.447 -26.629 1.00 0.00 N ATOM 455 CA ILE A 30 -12.896 32.431 -25.175 1.00 0.00 C ATOM 456 C ILE A 30 -13.345 33.790 -24.632 1.00 0.00 C ATOM 457 O ILE A 30 -12.665 34.805 -24.807 1.00 0.00 O ATOM 458 CB ILE A 30 -11.453 32.077 -24.763 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.073 30.621 -25.113 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.284 32.224 -23.234 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.142 30.174 -26.576 1.00 0.00 C ATOM 0 H ILE A 30 -12.171 32.619 -27.126 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.525 31.653 -24.742 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.809 32.763 -25.313 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.054 30.452 -24.764 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.721 29.962 -24.535 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.261 31.971 -22.955 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.496 33.252 -22.942 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.975 31.552 -22.725 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.845 29.128 -26.651 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.162 30.289 -26.944 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.469 30.786 -27.176 1.00 0.00 H new ATOM 473 N ALA A 31 -14.483 33.789 -23.947 1.00 0.00 N ATOM 474 CA ALA A 31 -14.924 34.882 -23.086 1.00 0.00 C ATOM 475 C ALA A 31 -14.562 34.588 -21.622 1.00 0.00 C ATOM 476 O ALA A 31 -14.455 33.431 -21.212 1.00 0.00 O ATOM 477 CB ALA A 31 -16.427 35.096 -23.282 1.00 0.00 C ATOM 0 H ALA A 31 -15.141 33.010 -23.975 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.412 35.805 -23.357 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.765 35.911 -22.642 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.626 35.346 -24.324 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.962 34.183 -23.020 1.00 0.00 H new ATOM 483 N ARG A 32 -14.407 35.642 -20.819 1.00 0.00 N ATOM 484 CA ARG A 32 -14.307 35.548 -19.354 1.00 0.00 C ATOM 485 C ARG A 32 -15.614 35.998 -18.706 1.00 0.00 C ATOM 486 O ARG A 32 -16.332 36.828 -19.264 1.00 0.00 O ATOM 487 CB ARG A 32 -13.092 36.345 -18.837 1.00 0.00 C ATOM 488 CG ARG A 32 -11.959 35.399 -18.431 1.00 0.00 C ATOM 489 CD ARG A 32 -10.723 36.133 -17.907 1.00 0.00 C ATOM 490 NE ARG A 32 -9.823 35.194 -17.206 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.242 35.333 -16.026 1.00 0.00 C ATOM 492 NH1 ARG A 32 -9.378 36.380 -15.264 1.00 0.00 N ATOM 493 NH2 ARG A 32 -8.495 34.370 -15.574 1.00 0.00 N ATOM 0 H ARG A 32 -14.346 36.599 -21.168 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.145 34.507 -19.073 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.743 37.028 -19.611 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.387 36.955 -17.983 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.322 34.716 -17.663 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.676 34.791 -19.290 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.194 36.604 -18.735 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.026 36.930 -17.229 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.623 34.323 -17.697 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.962 37.159 -15.567 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.900 36.421 -14.364 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.364 33.523 -16.127 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.040 34.461 -14.666 1.00 0.00 H new ATOM 507 N TYR A 33 -15.887 35.491 -17.503 1.00 0.00 N ATOM 508 CA TYR A 33 -17.012 35.908 -16.659 1.00 0.00 C ATOM 509 C TYR A 33 -16.608 35.981 -15.178 1.00 0.00 C ATOM 510 O TYR A 33 -15.891 35.109 -14.686 1.00 0.00 O ATOM 511 CB TYR A 33 -18.200 34.963 -16.836 1.00 0.00 C ATOM 512 CG TYR A 33 -18.797 34.896 -18.223 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.211 34.091 -19.217 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.971 35.614 -18.501 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.821 33.983 -20.479 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.582 35.513 -19.760 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.028 34.667 -20.738 1.00 0.00 C ATOM 518 OH TYR A 33 -20.696 34.477 -21.899 1.00 0.00 O ATOM 0 H TYR A 33 -15.318 34.760 -17.076 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.307 36.908 -16.978 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.886 33.960 -16.549 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.983 35.263 -16.140 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.295 33.557 -19.011 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.406 36.247 -17.742 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.367 33.377 -21.249 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.474 36.082 -19.977 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.361 35.188 -22.014 1.00 0.00 H new ATOM 528 N ARG A 34 -17.080 37.015 -14.467 1.00 0.00 N ATOM 529 CA ARG A 34 -16.804 37.287 -13.046 1.00 0.00 C ATOM 530 C ARG A 34 -18.019 36.980 -12.175 1.00 0.00 C ATOM 531 O ARG A 34 -19.097 37.522 -12.415 1.00 0.00 O ATOM 532 CB ARG A 34 -16.338 38.744 -12.874 1.00 0.00 C ATOM 533 CG ARG A 34 -15.937 39.048 -11.421 1.00 0.00 C ATOM 534 CD ARG A 34 -14.916 40.187 -11.329 1.00 0.00 C ATOM 535 NE ARG A 34 -15.428 41.463 -11.864 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.794 42.304 -12.666 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.634 42.051 -13.206 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.336 43.453 -12.953 1.00 0.00 N ATOM 0 H ARG A 34 -17.692 37.717 -14.884 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.003 36.627 -12.714 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.490 38.935 -13.532 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.137 39.420 -13.179 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.826 39.312 -10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.519 38.150 -10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.627 40.326 -10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.015 39.906 -11.875 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.373 41.726 -11.586 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.166 41.164 -13.018 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.195 42.740 -13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.244 43.701 -12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.852 44.105 -13.570 1.00 0.00 H new ATOM 552 N THR A 35 -17.839 36.128 -11.172 1.00 0.00 N ATOM 553 CA THR A 35 -18.886 35.727 -10.216 1.00 0.00 C ATOM 554 C THR A 35 -19.114 36.795 -9.148 1.00 0.00 C ATOM 555 O THR A 35 -18.398 37.797 -9.070 1.00 0.00 O ATOM 556 CB THR A 35 -18.579 34.400 -9.518 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.419 34.511 -8.748 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.410 33.255 -10.495 1.00 0.00 C ATOM 0 H THR A 35 -16.941 35.681 -10.989 1.00 0.00 H new ATOM 0 HA THR A 35 -19.788 35.604 -10.815 1.00 0.00 H new ATOM 0 HB THR A 35 -19.436 34.180 -8.882 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.655 34.701 -9.332 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.194 32.338 -9.947 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.328 33.127 -11.068 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.586 33.475 -11.174 1.00 0.00 H new ATOM 566 N ASP A 36 -20.084 36.561 -8.265 1.00 0.00 N ATOM 567 CA ASP A 36 -20.445 37.516 -7.220 1.00 0.00 C ATOM 568 C ASP A 36 -19.418 37.599 -6.074 1.00 0.00 C ATOM 569 O ASP A 36 -19.416 38.589 -5.339 1.00 0.00 O ATOM 570 CB ASP A 36 -21.860 37.192 -6.720 1.00 0.00 C ATOM 571 CG ASP A 36 -22.429 38.278 -5.789 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.660 39.419 -6.259 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.690 37.983 -4.598 1.00 0.00 O ATOM 0 H ASP A 36 -20.640 35.706 -8.254 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.435 38.515 -7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.524 37.070 -7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.844 36.239 -6.191 1.00 0.00 H new ATOM 578 N ASN A 37 -18.491 36.632 -5.954 1.00 0.00 N ATOM 579 CA ASN A 37 -17.362 36.764 -5.017 1.00 0.00 C ATOM 580 C ASN A 37 -16.138 37.478 -5.649 1.00 0.00 C ATOM 581 O ASN A 37 -15.094 37.604 -5.006 1.00 0.00 O ATOM 582 CB ASN A 37 -16.959 35.414 -4.412 1.00 0.00 C ATOM 583 CG ASN A 37 -18.074 34.450 -4.053 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.157 34.803 -3.609 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.801 33.177 -4.213 1.00 0.00 N ATOM 0 H ASN A 37 -18.500 35.762 -6.486 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.718 37.401 -4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.295 34.914 -5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.378 35.609 -3.510 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.495 32.472 -3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.895 32.893 -4.584 1.00 0.00 H new ATOM 592 N GLY A 38 -16.235 37.889 -6.921 1.00 0.00 N ATOM 593 CA GLY A 38 -15.115 38.357 -7.749 1.00 0.00 C ATOM 594 C GLY A 38 -14.326 37.248 -8.445 1.00 0.00 C ATOM 595 O GLY A 38 -13.316 37.536 -9.087 1.00 0.00 O ATOM 0 H GLY A 38 -17.125 37.905 -7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.501 39.039 -8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.433 38.931 -7.122 1.00 0.00 H new ATOM 599 N GLU A 39 -14.748 35.987 -8.322 1.00 0.00 N ATOM 600 CA GLU A 39 -14.032 34.847 -8.911 1.00 0.00 C ATOM 601 C GLU A 39 -14.235 34.857 -10.429 1.00 0.00 C ATOM 602 O GLU A 39 -15.370 34.775 -10.898 1.00 0.00 O ATOM 603 CB GLU A 39 -14.476 33.496 -8.312 1.00 0.00 C ATOM 604 CG GLU A 39 -14.833 33.558 -6.822 1.00 0.00 C ATOM 605 CD GLU A 39 -14.595 32.277 -5.999 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.749 31.423 -6.356 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.257 32.155 -4.939 1.00 0.00 O ATOM 0 H GLU A 39 -15.593 35.725 -7.813 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.973 34.956 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.341 33.132 -8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.677 32.768 -8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.259 34.366 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.886 33.827 -6.735 1.00 0.00 H new ATOM 614 N GLU A 40 -13.159 34.954 -11.204 1.00 0.00 N ATOM 615 CA GLU A 40 -13.228 34.989 -12.672 1.00 0.00 C ATOM 616 C GLU A 40 -12.854 33.639 -13.295 1.00 0.00 C ATOM 617 O GLU A 40 -11.830 33.035 -12.961 1.00 0.00 O ATOM 618 CB GLU A 40 -12.308 36.072 -13.255 1.00 0.00 C ATOM 619 CG GLU A 40 -12.970 37.450 -13.235 1.00 0.00 C ATOM 620 CD GLU A 40 -12.093 38.543 -13.881 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.389 38.264 -14.883 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.129 39.699 -13.394 1.00 0.00 O ATOM 0 H GLU A 40 -12.209 35.011 -10.836 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.264 35.221 -12.920 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.380 36.106 -12.684 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.043 35.811 -14.280 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.924 37.398 -13.760 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.189 37.728 -12.204 1.00 0.00 H new ATOM 629 N PHE A 41 -13.689 33.202 -14.239 1.00 0.00 N ATOM 630 CA PHE A 41 -13.537 31.963 -15.002 1.00 0.00 C ATOM 631 C PHE A 41 -13.656 32.207 -16.507 1.00 0.00 C ATOM 632 O PHE A 41 -14.240 33.192 -16.960 1.00 0.00 O ATOM 633 CB PHE A 41 -14.601 30.951 -14.565 1.00 0.00 C ATOM 634 CG PHE A 41 -14.482 30.493 -13.124 1.00 0.00 C ATOM 635 CD1 PHE A 41 -15.041 31.243 -12.069 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.774 29.311 -12.834 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.865 30.815 -10.749 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.590 28.894 -11.505 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.132 29.653 -10.458 1.00 0.00 C ATOM 0 H PHE A 41 -14.524 33.724 -14.504 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.541 31.570 -14.800 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.586 31.393 -14.712 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.543 30.079 -15.216 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.601 32.142 -12.279 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.368 28.719 -13.641 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.299 31.386 -9.942 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.034 27.993 -11.291 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.987 29.346 -9.433 1.00 0.00 H new ATOM 649 N GLU A 42 -13.134 31.264 -17.285 1.00 0.00 N ATOM 650 CA GLU A 42 -13.071 31.318 -18.746 1.00 0.00 C ATOM 651 C GLU A 42 -14.020 30.305 -19.395 1.00 0.00 C ATOM 652 O GLU A 42 -14.018 29.121 -19.041 1.00 0.00 O ATOM 653 CB GLU A 42 -11.639 31.086 -19.258 1.00 0.00 C ATOM 654 CG GLU A 42 -10.567 31.932 -18.556 1.00 0.00 C ATOM 655 CD GLU A 42 -9.918 31.306 -17.304 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.370 30.250 -16.798 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.948 31.924 -16.802 1.00 0.00 O ATOM 0 H GLU A 42 -12.728 30.409 -16.904 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.388 32.321 -19.032 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.389 30.032 -19.136 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.610 31.299 -20.327 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.779 32.153 -19.276 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.014 32.884 -18.270 1.00 0.00 H new ATOM 664 N VAL A 43 -14.807 30.756 -20.370 1.00 0.00 N ATOM 665 CA VAL A 43 -15.779 29.936 -21.111 1.00 0.00 C ATOM 666 C VAL A 43 -15.489 30.003 -22.621 1.00 0.00 C ATOM 667 O VAL A 43 -15.727 31.041 -23.244 1.00 0.00 O ATOM 668 CB VAL A 43 -17.226 30.368 -20.799 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.226 29.387 -21.421 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.509 30.455 -19.293 1.00 0.00 C ATOM 0 H VAL A 43 -14.790 31.728 -20.679 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.674 28.901 -20.787 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.343 31.363 -21.229 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.242 29.708 -21.190 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.089 29.365 -22.502 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.059 28.390 -21.013 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.542 30.763 -19.134 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.347 29.479 -18.835 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.839 31.184 -18.838 1.00 0.00 H new ATOM 680 N PRO A 44 -14.984 28.914 -23.235 1.00 0.00 N ATOM 681 CA PRO A 44 -14.850 28.791 -24.683 1.00 0.00 C ATOM 682 C PRO A 44 -16.209 28.530 -25.354 1.00 0.00 C ATOM 683 O PRO A 44 -16.893 27.545 -25.064 1.00 0.00 O ATOM 684 CB PRO A 44 -13.855 27.648 -24.936 1.00 0.00 C ATOM 685 CG PRO A 44 -13.203 27.391 -23.578 1.00 0.00 C ATOM 686 CD PRO A 44 -14.279 27.824 -22.588 1.00 0.00 C ATOM 0 HA PRO A 44 -14.483 29.719 -25.121 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.362 26.757 -25.307 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.113 27.927 -25.684 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.938 26.341 -23.451 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.287 27.969 -23.455 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.955 27.001 -22.358 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.838 28.147 -21.645 1.00 0.00 H new ATOM 694 N PHE A 45 -16.568 29.403 -26.289 1.00 0.00 N ATOM 695 CA PHE A 45 -17.722 29.294 -27.193 1.00 0.00 C ATOM 696 C PHE A 45 -17.279 28.916 -28.606 1.00 0.00 C ATOM 697 O PHE A 45 -16.270 29.419 -29.089 1.00 0.00 O ATOM 698 CB PHE A 45 -18.472 30.631 -27.227 1.00 0.00 C ATOM 699 CG PHE A 45 -19.298 30.887 -25.984 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.684 31.417 -24.835 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.676 30.592 -25.969 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.444 31.652 -23.680 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.434 30.823 -24.806 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.813 31.345 -23.656 1.00 0.00 C ATOM 0 H PHE A 45 -16.035 30.257 -26.451 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.380 28.509 -26.820 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.752 31.440 -27.349 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.125 30.651 -28.099 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.628 31.643 -24.842 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.151 30.188 -26.851 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.973 32.072 -22.804 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.491 30.600 -24.796 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.389 31.509 -22.757 1.00 0.00 H new ATOM 714 N ALA A 46 -18.054 28.103 -29.315 1.00 0.00 N ATOM 715 CA ALA A 46 -17.794 27.762 -30.718 1.00 0.00 C ATOM 716 C ALA A 46 -18.353 28.842 -31.661 1.00 0.00 C ATOM 717 O ALA A 46 -19.255 29.589 -31.284 1.00 0.00 O ATOM 718 CB ALA A 46 -18.387 26.378 -31.009 1.00 0.00 C ATOM 0 H ALA A 46 -18.888 27.656 -28.934 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.719 27.725 -30.896 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.200 26.113 -32.050 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.922 25.638 -30.357 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.462 26.397 -30.827 1.00 0.00 H new ATOM 724 N ASP A 47 -17.859 28.916 -32.898 1.00 0.00 N ATOM 725 CA ASP A 47 -18.308 29.878 -33.923 1.00 0.00 C ATOM 726 C ASP A 47 -19.806 29.739 -34.289 1.00 0.00 C ATOM 727 O ASP A 47 -20.425 30.679 -34.791 1.00 0.00 O ATOM 728 CB ASP A 47 -17.418 29.707 -35.163 1.00 0.00 C ATOM 729 CG ASP A 47 -17.728 30.727 -36.272 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.420 31.930 -36.092 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.237 30.322 -37.345 1.00 0.00 O ATOM 0 H ASP A 47 -17.119 28.298 -33.229 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.209 30.883 -33.512 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.373 29.805 -34.869 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.545 28.699 -35.558 1.00 0.00 H new ATOM 736 N ASP A 48 -20.411 28.582 -33.996 1.00 0.00 N ATOM 737 CA ASP A 48 -21.858 28.332 -34.117 1.00 0.00 C ATOM 738 C ASP A 48 -22.699 29.056 -33.034 1.00 0.00 C ATOM 739 O ASP A 48 -23.922 29.166 -33.157 1.00 0.00 O ATOM 740 CB ASP A 48 -22.075 26.812 -34.064 1.00 0.00 C ATOM 741 CG ASP A 48 -23.520 26.398 -34.391 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.973 26.626 -35.541 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.196 25.799 -33.518 1.00 0.00 O ATOM 0 H ASP A 48 -19.896 27.769 -33.658 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.205 28.742 -35.065 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.397 26.329 -34.768 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.815 26.448 -33.070 1.00 0.00 H new ATOM 748 N ALA A 49 -22.045 29.571 -31.988 1.00 0.00 N ATOM 749 CA ALA A 49 -22.620 30.310 -30.863 1.00 0.00 C ATOM 750 C ALA A 49 -22.059 31.746 -30.757 1.00 0.00 C ATOM 751 O ALA A 49 -21.048 32.091 -31.375 1.00 0.00 O ATOM 752 CB ALA A 49 -22.348 29.510 -29.580 1.00 0.00 C ATOM 0 H ALA A 49 -21.033 29.476 -31.900 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.693 30.421 -31.018 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.767 30.040 -28.725 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.811 28.526 -29.660 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.273 29.395 -29.444 1.00 0.00 H new ATOM 758 N GLU A 50 -22.695 32.584 -29.935 1.00 0.00 N ATOM 759 CA GLU A 50 -22.207 33.916 -29.552 1.00 0.00 C ATOM 760 C GLU A 50 -22.396 34.181 -28.047 1.00 0.00 C ATOM 761 O GLU A 50 -23.338 33.678 -27.435 1.00 0.00 O ATOM 762 CB GLU A 50 -22.869 34.996 -30.423 1.00 0.00 C ATOM 763 CG GLU A 50 -24.355 35.235 -30.116 1.00 0.00 C ATOM 764 CD GLU A 50 -24.985 36.191 -31.147 1.00 0.00 C ATOM 765 OE1 GLU A 50 -24.872 37.431 -30.982 1.00 0.00 O ATOM 766 OE2 GLU A 50 -25.607 35.714 -32.128 1.00 0.00 O ATOM 0 H GLU A 50 -23.589 32.350 -29.504 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.133 33.955 -29.734 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.328 35.933 -30.292 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.768 34.713 -31.471 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.889 34.285 -30.122 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.461 35.653 -29.115 1.00 0.00 H new ATOM 773 N ILE A 51 -21.490 34.974 -27.468 1.00 0.00 N ATOM 774 CA ILE A 51 -21.333 35.284 -26.040 1.00 0.00 C ATOM 775 C ILE A 51 -22.565 36.019 -25.484 1.00 0.00 C ATOM 776 O ILE A 51 -22.799 37.185 -25.825 1.00 0.00 O ATOM 777 CB ILE A 51 -20.061 36.132 -25.780 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.832 35.696 -26.612 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.715 36.138 -24.280 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.352 34.258 -26.400 1.00 0.00 C ATOM 0 H ILE A 51 -20.789 35.456 -28.030 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.231 34.331 -25.521 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.305 37.142 -26.109 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.068 35.827 -27.668 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.007 36.370 -26.384 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.820 36.738 -24.115 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.545 36.564 -23.717 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.534 35.117 -23.944 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.487 34.066 -27.034 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.074 34.117 -25.355 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.153 33.565 -26.659 1.00 0.00 H new ATOM 792 N PRO A 52 -23.361 35.365 -24.626 1.00 0.00 N ATOM 793 CA PRO A 52 -24.402 36.017 -23.849 1.00 0.00 C ATOM 794 C PRO A 52 -23.788 36.890 -22.741 1.00 0.00 C ATOM 795 O PRO A 52 -22.720 36.579 -22.206 1.00 0.00 O ATOM 796 CB PRO A 52 -25.246 34.871 -23.294 1.00 0.00 C ATOM 797 CG PRO A 52 -24.248 33.724 -23.148 1.00 0.00 C ATOM 798 CD PRO A 52 -23.220 33.974 -24.244 1.00 0.00 C ATOM 0 HA PRO A 52 -25.010 36.699 -24.442 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.697 35.133 -22.337 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.060 34.610 -23.970 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.785 33.724 -22.161 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.734 32.756 -23.272 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.211 33.770 -23.885 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.393 33.317 -25.097 1.00 0.00 H new ATOM 806 N GLY A 53 -24.482 37.972 -22.376 1.00 0.00 N ATOM 807 CA GLY A 53 -24.074 38.948 -21.349 1.00 0.00 C ATOM 808 C GLY A 53 -23.647 38.348 -20.000 1.00 0.00 C ATOM 809 O GLY A 53 -22.796 38.917 -19.311 1.00 0.00 O ATOM 0 H GLY A 53 -25.379 38.205 -22.802 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.247 39.539 -21.742 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.902 39.635 -21.176 1.00 0.00 H new ATOM 813 N THR A 54 -24.204 37.193 -19.618 1.00 0.00 N ATOM 814 CA THR A 54 -23.763 36.416 -18.454 1.00 0.00 C ATOM 815 C THR A 54 -23.769 34.900 -18.724 1.00 0.00 C ATOM 816 O THR A 54 -24.444 34.428 -19.644 1.00 0.00 O ATOM 817 CB THR A 54 -24.670 36.680 -17.234 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.012 36.319 -17.501 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.750 38.145 -16.811 1.00 0.00 C ATOM 0 H THR A 54 -24.985 36.766 -20.116 1.00 0.00 H new ATOM 0 HA THR A 54 -22.743 36.741 -18.251 1.00 0.00 H new ATOM 0 HB THR A 54 -24.208 36.083 -16.448 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.562 36.496 -16.709 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.408 38.239 -15.947 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.754 38.503 -16.549 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.145 38.740 -17.634 1.00 0.00 H new ATOM 827 N TRP A 55 -23.014 34.127 -17.931 1.00 0.00 N ATOM 828 CA TRP A 55 -22.888 32.665 -18.038 1.00 0.00 C ATOM 829 C TRP A 55 -22.466 32.021 -16.703 1.00 0.00 C ATOM 830 O TRP A 55 -21.709 32.610 -15.928 1.00 0.00 O ATOM 831 CB TRP A 55 -21.864 32.326 -19.128 1.00 0.00 C ATOM 832 CG TRP A 55 -21.827 30.891 -19.552 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.018 29.945 -19.036 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.608 30.217 -20.585 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.204 28.750 -19.699 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.186 28.854 -20.660 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.618 30.626 -21.478 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.737 27.947 -21.578 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.186 29.724 -22.399 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.748 28.388 -22.451 1.00 0.00 C ATOM 0 H TRP A 55 -22.455 34.515 -17.171 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.866 32.260 -18.299 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.074 32.940 -20.004 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.873 32.607 -18.772 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.325 30.100 -18.222 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.681 27.897 -19.503 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.963 31.649 -21.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.390 26.925 -21.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.963 30.060 -23.070 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.187 27.702 -23.160 1.00 0.00 H new ATOM 851 N LEU A 56 -22.913 30.791 -16.429 1.00 0.00 N ATOM 852 CA LEU A 56 -22.624 30.080 -15.180 1.00 0.00 C ATOM 853 C LEU A 56 -21.153 29.629 -15.112 1.00 0.00 C ATOM 854 O LEU A 56 -20.655 28.931 -15.998 1.00 0.00 O ATOM 855 CB LEU A 56 -23.603 28.899 -15.020 1.00 0.00 C ATOM 856 CG LEU A 56 -24.234 28.792 -13.623 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.355 27.752 -13.631 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.219 28.366 -12.564 1.00 0.00 C ATOM 0 H LEU A 56 -23.492 30.255 -17.076 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.771 30.762 -14.343 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.398 28.997 -15.759 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.075 27.971 -15.241 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.615 29.783 -13.377 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.795 27.684 -12.636 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.121 28.048 -14.348 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.949 26.781 -13.915 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.711 28.304 -11.593 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.808 27.391 -12.826 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.413 29.099 -12.517 1.00 0.00 H new ATOM 870 N CYS A 57 -20.463 30.022 -14.044 1.00 0.00 N ATOM 871 CA CYS A 57 -19.044 29.746 -13.815 1.00 0.00 C ATOM 872 C CYS A 57 -18.804 28.501 -12.945 1.00 0.00 C ATOM 873 O CYS A 57 -19.692 28.047 -12.218 1.00 0.00 O ATOM 874 CB CYS A 57 -18.411 30.988 -13.186 1.00 0.00 C ATOM 875 SG CYS A 57 -18.335 32.308 -14.417 1.00 0.00 S ATOM 0 H CYS A 57 -20.889 30.559 -13.289 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.577 29.523 -14.774 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.995 31.312 -12.325 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.410 30.756 -12.823 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.799 33.367 -13.886 1.00 0.00 H new ATOM 881 N ARG A 58 -17.568 27.979 -12.959 1.00 0.00 N ATOM 882 CA ARG A 58 -17.189 26.720 -12.276 1.00 0.00 C ATOM 883 C ARG A 58 -17.153 26.817 -10.742 1.00 0.00 C ATOM 884 O ARG A 58 -17.131 25.787 -10.069 1.00 0.00 O ATOM 885 CB ARG A 58 -15.868 26.161 -12.845 1.00 0.00 C ATOM 886 CG ARG A 58 -15.873 26.067 -14.380 1.00 0.00 C ATOM 887 CD ARG A 58 -14.630 25.355 -14.930 1.00 0.00 C ATOM 888 NE ARG A 58 -14.640 25.349 -16.408 1.00 0.00 N ATOM 889 CZ ARG A 58 -14.355 26.366 -17.204 1.00 0.00 C ATOM 890 NH1 ARG A 58 -13.878 27.492 -16.762 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.549 26.304 -18.486 1.00 0.00 N ATOM 0 H ARG A 58 -16.790 28.420 -13.449 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.990 26.013 -12.492 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.042 26.798 -12.527 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.687 25.171 -12.425 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.766 25.534 -14.705 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.929 27.070 -14.802 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.730 25.854 -14.570 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.597 24.331 -14.558 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.893 24.470 -16.860 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.709 27.618 -15.764 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.673 28.250 -17.413 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.931 25.455 -18.904 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.320 27.104 -19.076 1.00 0.00 H new ATOM 905 N ASN A 59 -17.234 28.031 -10.184 1.00 0.00 N ATOM 906 CA ASN A 59 -17.508 28.268 -8.757 1.00 0.00 C ATOM 907 C ASN A 59 -18.952 27.860 -8.351 1.00 0.00 C ATOM 908 O ASN A 59 -19.254 27.669 -7.172 1.00 0.00 O ATOM 909 CB ASN A 59 -17.237 29.758 -8.485 1.00 0.00 C ATOM 910 CG ASN A 59 -17.508 30.267 -7.075 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.846 31.533 -6.955 1.00 0.00 O flip ATOM 912 ND2 ASN A 59 -17.378 29.575 -6.077 1.00 0.00 N flip ATOM 0 H ASN A 59 -17.109 28.891 -10.718 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.857 27.642 -8.147 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.193 29.961 -8.723 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.841 30.344 -9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.116 28.593 -6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.531 29.979 -5.153 1.00 0.00 H new ATOM 919 N GLY A 60 -19.847 27.699 -9.330 1.00 0.00 N ATOM 920 CA GLY A 60 -21.274 27.408 -9.141 1.00 0.00 C ATOM 921 C GLY A 60 -22.155 28.661 -9.062 1.00 0.00 C ATOM 922 O GLY A 60 -23.297 28.572 -8.605 1.00 0.00 O ATOM 0 H GLY A 60 -19.589 27.770 -10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.620 26.783 -9.964 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.399 26.829 -8.226 1.00 0.00 H new ATOM 926 N MET A 61 -21.638 29.822 -9.489 1.00 0.00 N ATOM 927 CA MET A 61 -22.345 31.109 -9.500 1.00 0.00 C ATOM 928 C MET A 61 -22.477 31.671 -10.923 1.00 0.00 C ATOM 929 O MET A 61 -21.607 31.463 -11.771 1.00 0.00 O ATOM 930 CB MET A 61 -21.626 32.087 -8.550 1.00 0.00 C ATOM 931 CG MET A 61 -22.412 33.380 -8.287 1.00 0.00 C ATOM 932 SD MET A 61 -24.126 33.149 -7.730 1.00 0.00 S ATOM 933 CE MET A 61 -24.682 34.873 -7.680 1.00 0.00 C ATOM 0 H MET A 61 -20.686 29.892 -9.848 1.00 0.00 H new ATOM 0 HA MET A 61 -23.364 30.962 -9.142 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.439 31.586 -7.600 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.654 32.342 -8.973 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.879 33.963 -7.536 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.422 33.972 -9.202 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.741 34.906 -7.424 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.110 35.418 -6.929 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.530 35.333 -8.657 1.00 0.00 H new ATOM 943 N GLU A 62 -23.550 32.417 -11.183 1.00 0.00 N ATOM 944 CA GLU A 62 -23.739 33.178 -12.423 1.00 0.00 C ATOM 945 C GLU A 62 -22.663 34.270 -12.547 1.00 0.00 C ATOM 946 O GLU A 62 -22.642 35.239 -11.783 1.00 0.00 O ATOM 947 CB GLU A 62 -25.150 33.794 -12.465 1.00 0.00 C ATOM 948 CG GLU A 62 -26.280 32.762 -12.630 1.00 0.00 C ATOM 949 CD GLU A 62 -26.376 32.118 -14.032 1.00 0.00 C ATOM 950 OE1 GLU A 62 -25.536 32.396 -14.919 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.323 31.322 -14.253 1.00 0.00 O ATOM 0 H GLU A 62 -24.327 32.513 -10.529 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.638 32.499 -13.270 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.317 34.356 -11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.200 34.506 -13.288 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -26.141 31.972 -11.892 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -27.230 33.246 -12.403 1.00 0.00 H new ATOM 958 N GLY A 63 -21.743 34.090 -13.494 1.00 0.00 N ATOM 959 CA GLY A 63 -20.703 35.056 -13.833 1.00 0.00 C ATOM 960 C GLY A 63 -21.176 36.081 -14.865 1.00 0.00 C ATOM 961 O GLY A 63 -21.955 35.748 -15.759 1.00 0.00 O ATOM 0 H GLY A 63 -21.701 33.244 -14.062 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.384 35.575 -12.929 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.832 34.528 -14.222 1.00 0.00 H new ATOM 965 N THR A 64 -20.667 37.313 -14.804 1.00 0.00 N ATOM 966 CA THR A 64 -20.958 38.370 -15.792 1.00 0.00 C ATOM 967 C THR A 64 -19.760 38.664 -16.689 1.00 0.00 C ATOM 968 O THR A 64 -18.625 38.713 -16.215 1.00 0.00 O ATOM 969 CB THR A 64 -21.438 39.664 -15.114 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.563 39.403 -14.299 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.854 40.749 -16.113 1.00 0.00 C ATOM 0 H THR A 64 -20.034 37.614 -14.063 1.00 0.00 H new ATOM 0 HA THR A 64 -21.763 37.988 -16.419 1.00 0.00 H new ATOM 0 HB THR A 64 -20.588 40.022 -14.533 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.858 40.234 -13.872 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.182 41.636 -15.571 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.005 41.005 -16.747 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.671 40.379 -16.733 1.00 0.00 H new ATOM 979 N LEU A 65 -20.017 38.842 -17.988 1.00 0.00 N ATOM 980 CA LEU A 65 -19.021 38.952 -19.058 1.00 0.00 C ATOM 981 C LEU A 65 -18.068 40.146 -18.835 1.00 0.00 C ATOM 982 O LEU A 65 -18.505 41.299 -18.776 1.00 0.00 O ATOM 983 CB LEU A 65 -19.819 39.033 -20.377 1.00 0.00 C ATOM 984 CG LEU A 65 -19.091 38.898 -21.729 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.084 39.268 -22.835 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.856 39.776 -21.925 1.00 0.00 C ATOM 0 H LEU A 65 -20.972 38.917 -18.339 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.355 38.089 -19.081 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.583 38.256 -20.342 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.338 39.991 -20.383 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.735 37.868 -21.759 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.596 39.182 -23.806 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.939 38.593 -22.797 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.425 40.293 -22.690 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.432 39.592 -22.912 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.139 40.825 -21.841 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.115 39.538 -21.162 1.00 0.00 H new