USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 267 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= 0.978 K(o=0.97,f=-0.0048) USER MOD Set 1.2: A 59 ASN : amide:sc=-0.00908 X(o=0.97,f=0.96) USER MOD Single : A 29 GLN : amide:sc= 0.843 K(o=0.84,f=0) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.42 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.263 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.53 USER MOD Single : A 61 MET CE :methyl 175:sc= 0 (180deg=-0.0349) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.304 31.193 -29.597 1.00 0.00 N ATOM 438 CA GLN A 29 -14.281 32.487 -28.907 1.00 0.00 C ATOM 439 C GLN A 29 -14.177 32.241 -27.397 1.00 0.00 C ATOM 440 O GLN A 29 -15.101 31.727 -26.777 1.00 0.00 O ATOM 441 CB GLN A 29 -15.571 33.289 -29.179 1.00 0.00 C ATOM 442 CG GLN A 29 -15.942 33.488 -30.656 1.00 0.00 C ATOM 443 CD GLN A 29 -17.291 32.867 -30.996 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.189 33.505 -31.528 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.469 31.601 -30.695 1.00 0.00 N ATOM 0 HA GLN A 29 -13.428 33.056 -29.275 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.400 32.785 -28.682 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.470 34.270 -28.715 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.966 34.554 -30.883 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.170 33.046 -31.286 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.718 31.072 -30.251 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.358 31.147 -30.905 1.00 0.00 H new ATOM 454 N ILE A 30 -13.060 32.609 -26.788 1.00 0.00 N ATOM 455 CA ILE A 30 -12.869 32.550 -25.333 1.00 0.00 C ATOM 456 C ILE A 30 -13.370 33.870 -24.731 1.00 0.00 C ATOM 457 O ILE A 30 -12.744 34.917 -24.923 1.00 0.00 O ATOM 458 CB ILE A 30 -11.389 32.297 -24.958 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.717 31.179 -25.783 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.276 32.010 -23.447 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.441 29.833 -25.805 1.00 0.00 C ATOM 0 H ILE A 30 -12.246 32.963 -27.290 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.437 31.713 -24.928 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.843 33.208 -25.205 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.609 31.528 -26.810 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.711 31.022 -25.393 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.232 31.832 -23.187 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.649 32.866 -22.885 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.867 31.128 -23.199 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.877 29.127 -26.414 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.525 29.449 -24.789 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.437 29.963 -26.228 1.00 0.00 H new ATOM 473 N ALA A 31 -14.485 33.825 -24.006 1.00 0.00 N ATOM 474 CA ALA A 31 -14.921 34.900 -23.116 1.00 0.00 C ATOM 475 C ALA A 31 -14.508 34.619 -21.657 1.00 0.00 C ATOM 476 O ALA A 31 -14.240 33.476 -21.277 1.00 0.00 O ATOM 477 CB ALA A 31 -16.434 35.089 -23.275 1.00 0.00 C ATOM 0 H ALA A 31 -15.122 33.028 -24.020 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.427 35.832 -23.390 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.772 35.889 -22.616 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.661 35.350 -24.309 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.946 34.163 -23.014 1.00 0.00 H new ATOM 483 N ARG A 32 -14.490 35.658 -20.820 1.00 0.00 N ATOM 484 CA ARG A 32 -14.322 35.572 -19.357 1.00 0.00 C ATOM 485 C ARG A 32 -15.570 36.080 -18.639 1.00 0.00 C ATOM 486 O ARG A 32 -16.239 36.986 -19.131 1.00 0.00 O ATOM 487 CB ARG A 32 -13.062 36.344 -18.922 1.00 0.00 C ATOM 488 CG ARG A 32 -11.867 35.399 -18.776 1.00 0.00 C ATOM 489 CD ARG A 32 -10.573 36.164 -18.485 1.00 0.00 C ATOM 490 NE ARG A 32 -9.481 35.244 -18.110 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.463 35.501 -17.310 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.292 36.662 -16.755 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.594 34.576 -17.047 1.00 0.00 N ATOM 0 H ARG A 32 -14.595 36.618 -21.147 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.189 34.527 -19.077 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.832 37.117 -19.656 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.249 36.850 -17.975 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.060 34.690 -17.971 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.749 34.818 -19.691 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.282 36.739 -19.364 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.743 36.878 -17.679 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.517 34.308 -18.513 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.957 37.415 -16.931 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.492 36.822 -16.142 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.696 33.648 -17.458 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.808 34.776 -16.429 1.00 0.00 H new ATOM 507 N TYR A 33 -15.855 35.549 -17.451 1.00 0.00 N ATOM 508 CA TYR A 33 -16.977 35.968 -16.607 1.00 0.00 C ATOM 509 C TYR A 33 -16.585 36.011 -15.120 1.00 0.00 C ATOM 510 O TYR A 33 -15.824 35.167 -14.647 1.00 0.00 O ATOM 511 CB TYR A 33 -18.190 35.054 -16.808 1.00 0.00 C ATOM 512 CG TYR A 33 -18.764 34.993 -18.207 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.166 34.193 -19.199 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.934 35.711 -18.500 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.759 34.093 -20.471 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.519 35.628 -19.772 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.956 34.786 -20.747 1.00 0.00 C ATOM 518 OH TYR A 33 -20.597 34.619 -21.929 1.00 0.00 O ATOM 0 H TYR A 33 -15.301 34.799 -17.038 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.248 36.978 -16.914 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.909 34.044 -16.510 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.979 35.379 -16.129 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.253 33.657 -18.984 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.387 36.332 -17.741 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.298 33.486 -21.236 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.400 36.209 -20.002 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.268 35.325 -22.040 1.00 0.00 H new ATOM 528 N ARG A 34 -17.111 37.001 -14.390 1.00 0.00 N ATOM 529 CA ARG A 34 -16.830 37.304 -12.976 1.00 0.00 C ATOM 530 C ARG A 34 -18.039 36.988 -12.100 1.00 0.00 C ATOM 531 O ARG A 34 -19.127 37.504 -12.351 1.00 0.00 O ATOM 532 CB ARG A 34 -16.426 38.786 -12.871 1.00 0.00 C ATOM 533 CG ARG A 34 -15.979 39.189 -11.458 1.00 0.00 C ATOM 534 CD ARG A 34 -15.464 40.631 -11.474 1.00 0.00 C ATOM 535 NE ARG A 34 -15.114 41.106 -10.123 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.914 41.180 -9.570 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.818 40.820 -10.176 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.790 41.633 -8.355 1.00 0.00 N ATOM 0 H ARG A 34 -17.785 37.653 -14.792 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.012 36.680 -12.616 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.617 38.987 -13.573 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.269 39.409 -13.170 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.813 39.098 -10.762 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.196 38.516 -11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.588 40.696 -12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.225 41.283 -11.902 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.893 41.416 -9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.857 40.458 -11.129 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.921 40.900 -9.698 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.616 41.929 -7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.867 41.692 -7.924 1.00 0.00 H new ATOM 552 N THR A 35 -17.846 36.156 -11.080 1.00 0.00 N ATOM 553 CA THR A 35 -18.893 35.710 -10.143 1.00 0.00 C ATOM 554 C THR A 35 -19.173 36.760 -9.068 1.00 0.00 C ATOM 555 O THR A 35 -18.510 37.798 -8.990 1.00 0.00 O ATOM 556 CB THR A 35 -18.543 34.390 -9.446 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.391 34.556 -8.673 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.327 33.244 -10.414 1.00 0.00 C ATOM 0 H THR A 35 -16.931 35.757 -10.870 1.00 0.00 H new ATOM 0 HA THR A 35 -19.781 35.559 -10.757 1.00 0.00 H new ATOM 0 HB THR A 35 -19.398 34.131 -8.821 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.625 34.727 -9.260 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.083 32.339 -9.858 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.236 33.080 -10.992 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.507 33.488 -11.089 1.00 0.00 H new ATOM 566 N ASP A 36 -20.122 36.472 -8.176 1.00 0.00 N ATOM 567 CA ASP A 36 -20.506 37.398 -7.112 1.00 0.00 C ATOM 568 C ASP A 36 -19.466 37.512 -5.980 1.00 0.00 C ATOM 569 O ASP A 36 -19.478 38.507 -5.252 1.00 0.00 O ATOM 570 CB ASP A 36 -21.896 37.009 -6.591 1.00 0.00 C ATOM 571 CG ASP A 36 -22.494 38.066 -5.645 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.783 39.196 -6.105 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.718 37.757 -4.449 1.00 0.00 O ATOM 0 H ASP A 36 -20.643 35.595 -8.171 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.545 38.400 -7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.568 36.862 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.829 36.055 -6.068 1.00 0.00 H new ATOM 578 N ASN A 37 -18.517 36.567 -5.865 1.00 0.00 N ATOM 579 CA ASN A 37 -17.379 36.725 -4.941 1.00 0.00 C ATOM 580 C ASN A 37 -16.170 37.438 -5.597 1.00 0.00 C ATOM 581 O ASN A 37 -15.112 37.564 -4.976 1.00 0.00 O ATOM 582 CB ASN A 37 -16.967 35.389 -4.312 1.00 0.00 C ATOM 583 CG ASN A 37 -18.085 34.434 -3.937 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.142 34.798 -3.437 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.852 33.162 -4.149 1.00 0.00 N ATOM 0 H ASN A 37 -18.514 35.695 -6.394 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.727 37.375 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.302 34.877 -5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.386 35.601 -3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.554 32.466 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.969 32.868 -4.566 1.00 0.00 H new ATOM 592 N GLY A 38 -16.293 37.855 -6.865 1.00 0.00 N ATOM 593 CA GLY A 38 -15.190 38.330 -7.711 1.00 0.00 C ATOM 594 C GLY A 38 -14.349 37.225 -8.347 1.00 0.00 C ATOM 595 O GLY A 38 -13.300 37.518 -8.920 1.00 0.00 O ATOM 0 H GLY A 38 -17.193 37.871 -7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.602 38.955 -8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.537 38.964 -7.111 1.00 0.00 H new ATOM 599 N GLU A 39 -14.769 35.963 -8.245 1.00 0.00 N ATOM 600 CA GLU A 39 -14.033 34.834 -8.831 1.00 0.00 C ATOM 601 C GLU A 39 -14.229 34.863 -10.353 1.00 0.00 C ATOM 602 O GLU A 39 -15.361 34.789 -10.828 1.00 0.00 O ATOM 603 CB GLU A 39 -14.480 33.479 -8.240 1.00 0.00 C ATOM 604 CG GLU A 39 -14.820 33.539 -6.745 1.00 0.00 C ATOM 605 CD GLU A 39 -14.582 32.251 -5.937 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.597 31.511 -6.179 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.381 32.014 -4.997 1.00 0.00 O ATOM 0 H GLU A 39 -15.623 35.692 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.975 34.938 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.353 33.124 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.688 32.747 -8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.234 34.339 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.869 33.817 -6.644 1.00 0.00 H new ATOM 614 N GLU A 40 -13.150 34.984 -11.120 1.00 0.00 N ATOM 615 CA GLU A 40 -13.203 35.067 -12.588 1.00 0.00 C ATOM 616 C GLU A 40 -12.820 33.734 -13.247 1.00 0.00 C ATOM 617 O GLU A 40 -11.772 33.152 -12.951 1.00 0.00 O ATOM 618 CB GLU A 40 -12.293 36.193 -13.106 1.00 0.00 C ATOM 619 CG GLU A 40 -12.933 37.564 -12.874 1.00 0.00 C ATOM 620 CD GLU A 40 -12.048 38.752 -13.293 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.196 38.619 -14.205 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.228 39.846 -12.705 1.00 0.00 O ATOM 0 H GLU A 40 -12.203 35.028 -10.744 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.234 35.293 -12.860 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.328 36.148 -12.601 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.103 36.052 -14.170 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.872 37.612 -13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.179 37.664 -11.817 1.00 0.00 H new ATOM 629 N PHE A 41 -13.670 33.275 -14.170 1.00 0.00 N ATOM 630 CA PHE A 41 -13.500 32.046 -14.949 1.00 0.00 C ATOM 631 C PHE A 41 -13.573 32.324 -16.452 1.00 0.00 C ATOM 632 O PHE A 41 -14.086 33.354 -16.889 1.00 0.00 O ATOM 633 CB PHE A 41 -14.562 31.015 -14.540 1.00 0.00 C ATOM 634 CG PHE A 41 -14.426 30.532 -13.109 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.981 31.267 -12.041 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.712 29.347 -12.845 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.788 30.823 -10.726 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.505 28.922 -11.521 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.034 29.668 -10.459 1.00 0.00 C ATOM 0 H PHE A 41 -14.530 33.770 -14.404 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.510 31.642 -14.736 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.551 31.453 -14.673 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.500 30.158 -15.211 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.550 32.164 -12.235 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.321 28.762 -13.664 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.224 31.376 -9.907 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.940 28.023 -11.323 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.863 29.356 -9.439 1.00 0.00 H new ATOM 649 N GLU A 42 -13.084 31.379 -17.253 1.00 0.00 N ATOM 650 CA GLU A 42 -13.086 31.452 -18.717 1.00 0.00 C ATOM 651 C GLU A 42 -14.075 30.443 -19.312 1.00 0.00 C ATOM 652 O GLU A 42 -14.147 29.289 -18.877 1.00 0.00 O ATOM 653 CB GLU A 42 -11.682 31.219 -19.298 1.00 0.00 C ATOM 654 CG GLU A 42 -10.610 32.183 -18.760 1.00 0.00 C ATOM 655 CD GLU A 42 -9.312 31.531 -18.245 1.00 0.00 C ATOM 656 OE1 GLU A 42 -9.330 30.404 -17.697 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.265 32.216 -18.331 1.00 0.00 O ATOM 0 H GLU A 42 -12.665 30.520 -16.896 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.402 32.459 -18.990 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.376 30.195 -19.081 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.729 31.314 -20.383 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.351 32.885 -19.552 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.047 32.765 -17.949 1.00 0.00 H new ATOM 664 N VAL A 43 -14.818 30.878 -20.330 1.00 0.00 N ATOM 665 CA VAL A 43 -15.787 30.057 -21.074 1.00 0.00 C ATOM 666 C VAL A 43 -15.476 30.103 -22.580 1.00 0.00 C ATOM 667 O VAL A 43 -15.684 31.139 -23.220 1.00 0.00 O ATOM 668 CB VAL A 43 -17.235 30.503 -20.800 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.232 29.535 -21.447 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.560 30.594 -19.302 1.00 0.00 C ATOM 0 H VAL A 43 -14.765 31.837 -20.673 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.693 29.028 -20.727 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.326 31.499 -21.234 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.249 29.869 -21.241 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.069 29.511 -22.524 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.088 28.536 -21.036 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.594 30.913 -19.173 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.421 29.617 -18.840 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.896 31.317 -18.829 1.00 0.00 H new ATOM 680 N PRO A 44 -14.996 28.995 -23.174 1.00 0.00 N ATOM 681 CA PRO A 44 -14.894 28.827 -24.615 1.00 0.00 C ATOM 682 C PRO A 44 -16.277 28.628 -25.251 1.00 0.00 C ATOM 683 O PRO A 44 -17.060 27.767 -24.841 1.00 0.00 O ATOM 684 CB PRO A 44 -13.996 27.608 -24.852 1.00 0.00 C ATOM 685 CG PRO A 44 -13.347 27.322 -23.499 1.00 0.00 C ATOM 686 CD PRO A 44 -14.362 27.875 -22.506 1.00 0.00 C ATOM 0 HA PRO A 44 -14.470 29.718 -25.079 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.576 26.753 -25.200 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.244 27.814 -25.614 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.177 26.256 -23.351 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.380 27.815 -23.404 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.095 27.116 -22.233 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.874 28.194 -21.585 1.00 0.00 H new ATOM 694 N PHE A 45 -16.540 29.405 -26.293 1.00 0.00 N ATOM 695 CA PHE A 45 -17.707 29.301 -27.182 1.00 0.00 C ATOM 696 C PHE A 45 -17.277 28.903 -28.595 1.00 0.00 C ATOM 697 O PHE A 45 -16.254 29.374 -29.080 1.00 0.00 O ATOM 698 CB PHE A 45 -18.452 30.640 -27.213 1.00 0.00 C ATOM 699 CG PHE A 45 -19.291 30.911 -25.979 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.699 31.467 -24.830 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.673 30.637 -25.986 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.483 31.754 -23.702 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.454 30.920 -24.850 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.856 31.469 -23.702 1.00 0.00 C ATOM 0 H PHE A 45 -15.917 30.167 -26.562 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.372 28.528 -26.798 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.726 31.445 -27.329 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.098 30.664 -28.091 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.639 31.673 -24.816 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.134 30.209 -26.864 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.026 32.197 -22.829 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.514 30.715 -24.860 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.452 31.670 -22.824 1.00 0.00 H new ATOM 714 N ALA A 46 -18.062 28.097 -29.300 1.00 0.00 N ATOM 715 CA ALA A 46 -17.775 27.689 -30.680 1.00 0.00 C ATOM 716 C ALA A 46 -18.317 28.713 -31.692 1.00 0.00 C ATOM 717 O ALA A 46 -19.228 29.478 -31.378 1.00 0.00 O ATOM 718 CB ALA A 46 -18.337 26.281 -30.897 1.00 0.00 C ATOM 0 H ALA A 46 -18.926 27.701 -28.930 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.698 27.660 -30.846 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.133 25.961 -31.919 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.865 25.589 -30.199 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.414 26.289 -30.728 1.00 0.00 H new ATOM 724 N ASP A 47 -17.774 28.739 -32.910 1.00 0.00 N ATOM 725 CA ASP A 47 -18.149 29.697 -33.969 1.00 0.00 C ATOM 726 C ASP A 47 -19.636 29.625 -34.387 1.00 0.00 C ATOM 727 O ASP A 47 -20.178 30.585 -34.937 1.00 0.00 O ATOM 728 CB ASP A 47 -17.223 29.465 -35.172 1.00 0.00 C ATOM 729 CG ASP A 47 -17.452 30.473 -36.313 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.099 31.665 -36.146 1.00 0.00 O ATOM 731 OD2 ASP A 47 -17.937 30.065 -37.397 1.00 0.00 O ATOM 0 H ASP A 47 -17.047 28.085 -33.201 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.025 30.703 -33.569 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.186 29.528 -34.842 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.376 28.455 -35.551 1.00 0.00 H new ATOM 736 N ASP A 48 -20.316 28.508 -34.099 1.00 0.00 N ATOM 737 CA ASP A 48 -21.769 28.353 -34.312 1.00 0.00 C ATOM 738 C ASP A 48 -22.638 28.980 -33.199 1.00 0.00 C ATOM 739 O ASP A 48 -23.849 29.154 -33.365 1.00 0.00 O ATOM 740 CB ASP A 48 -22.106 26.872 -34.522 1.00 0.00 C ATOM 741 CG ASP A 48 -21.922 26.017 -33.258 1.00 0.00 C ATOM 742 OD1 ASP A 48 -20.797 25.508 -33.041 1.00 0.00 O ATOM 743 OD2 ASP A 48 -22.900 25.831 -32.496 1.00 0.00 O ATOM 0 H ASP A 48 -19.873 27.676 -33.708 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.018 28.916 -35.212 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -23.138 26.787 -34.862 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.475 26.473 -35.316 1.00 0.00 H new ATOM 748 N ALA A 49 -22.007 29.344 -32.082 1.00 0.00 N ATOM 749 CA ALA A 49 -22.577 30.039 -30.927 1.00 0.00 C ATOM 750 C ALA A 49 -22.106 31.509 -30.835 1.00 0.00 C ATOM 751 O ALA A 49 -21.252 31.969 -31.597 1.00 0.00 O ATOM 752 CB ALA A 49 -22.216 29.239 -29.666 1.00 0.00 C ATOM 0 H ALA A 49 -21.015 29.147 -31.951 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.661 30.091 -31.033 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.630 29.736 -28.789 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.630 28.234 -29.742 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.132 29.179 -29.571 1.00 0.00 H new ATOM 758 N GLU A 50 -22.656 32.253 -29.872 1.00 0.00 N ATOM 759 CA GLU A 50 -22.259 33.620 -29.508 1.00 0.00 C ATOM 760 C GLU A 50 -22.229 33.812 -27.979 1.00 0.00 C ATOM 761 O GLU A 50 -22.800 33.004 -27.248 1.00 0.00 O ATOM 762 CB GLU A 50 -23.196 34.628 -30.197 1.00 0.00 C ATOM 763 CG GLU A 50 -24.641 34.614 -29.673 1.00 0.00 C ATOM 764 CD GLU A 50 -25.526 35.584 -30.480 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.570 36.795 -30.148 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.193 35.145 -31.449 1.00 0.00 O ATOM 0 H GLU A 50 -23.424 31.906 -29.298 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.243 33.798 -29.859 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.787 35.630 -30.071 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.209 34.421 -31.267 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.047 33.604 -29.739 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.653 34.894 -28.620 1.00 0.00 H new ATOM 773 N ILE A 51 -21.575 34.879 -27.505 1.00 0.00 N ATOM 774 CA ILE A 51 -21.385 35.263 -26.102 1.00 0.00 C ATOM 775 C ILE A 51 -22.604 36.041 -25.572 1.00 0.00 C ATOM 776 O ILE A 51 -22.830 37.190 -25.973 1.00 0.00 O ATOM 777 CB ILE A 51 -20.114 36.126 -25.922 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.908 35.664 -26.773 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.730 36.206 -24.435 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.394 34.254 -26.490 1.00 0.00 C ATOM 0 H ILE A 51 -21.133 35.545 -28.139 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.271 34.341 -25.532 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.370 37.119 -26.292 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.186 35.724 -27.825 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.089 36.366 -26.619 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.834 36.816 -24.323 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.548 36.655 -23.872 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.536 35.203 -24.055 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.549 34.037 -27.143 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.076 34.185 -25.450 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.190 33.533 -26.675 1.00 0.00 H new ATOM 792 N PRO A 52 -23.396 35.452 -24.669 1.00 0.00 N ATOM 793 CA PRO A 52 -24.395 36.164 -23.888 1.00 0.00 C ATOM 794 C PRO A 52 -23.730 37.046 -22.816 1.00 0.00 C ATOM 795 O PRO A 52 -22.650 36.731 -22.310 1.00 0.00 O ATOM 796 CB PRO A 52 -25.267 35.067 -23.279 1.00 0.00 C ATOM 797 CG PRO A 52 -24.318 33.881 -23.140 1.00 0.00 C ATOM 798 CD PRO A 52 -23.317 34.064 -24.271 1.00 0.00 C ATOM 0 HA PRO A 52 -24.988 36.851 -24.492 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.673 35.369 -22.314 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.115 34.828 -23.921 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.824 33.879 -22.168 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.850 32.934 -23.229 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.309 33.812 -23.942 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.553 33.407 -25.108 1.00 0.00 H new ATOM 806 N GLY A 53 -24.405 38.138 -22.444 1.00 0.00 N ATOM 807 CA GLY A 53 -23.977 39.100 -21.414 1.00 0.00 C ATOM 808 C GLY A 53 -23.555 38.479 -20.074 1.00 0.00 C ATOM 809 O GLY A 53 -22.693 39.028 -19.382 1.00 0.00 O ATOM 0 H GLY A 53 -25.299 38.389 -22.866 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.142 39.680 -21.806 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.793 39.799 -21.231 1.00 0.00 H new ATOM 813 N THR A 54 -24.133 37.333 -19.700 1.00 0.00 N ATOM 814 CA THR A 54 -23.718 36.548 -18.531 1.00 0.00 C ATOM 815 C THR A 54 -23.735 35.031 -18.795 1.00 0.00 C ATOM 816 O THR A 54 -24.405 34.559 -19.717 1.00 0.00 O ATOM 817 CB THR A 54 -24.648 36.818 -17.326 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.981 36.463 -17.642 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.736 38.285 -16.915 1.00 0.00 C ATOM 0 H THR A 54 -24.914 36.918 -20.208 1.00 0.00 H new ATOM 0 HA THR A 54 -22.697 36.863 -18.316 1.00 0.00 H new ATOM 0 HB THR A 54 -24.211 36.229 -16.520 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.558 36.638 -16.869 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.409 38.384 -16.063 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.745 38.646 -16.639 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.117 38.874 -17.749 1.00 0.00 H new ATOM 827 N TRP A 55 -22.997 34.255 -17.987 1.00 0.00 N ATOM 828 CA TRP A 55 -22.858 32.795 -18.110 1.00 0.00 C ATOM 829 C TRP A 55 -22.431 32.127 -16.788 1.00 0.00 C ATOM 830 O TRP A 55 -21.706 32.718 -15.986 1.00 0.00 O ATOM 831 CB TRP A 55 -21.844 32.465 -19.210 1.00 0.00 C ATOM 832 CG TRP A 55 -21.833 31.032 -19.649 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.031 30.070 -19.149 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.650 30.368 -20.663 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.235 28.884 -19.822 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.234 29.005 -20.763 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.694 30.782 -21.514 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.810 28.108 -21.676 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.286 29.891 -22.432 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.843 28.557 -22.517 1.00 0.00 C ATOM 0 H TRP A 55 -22.464 34.637 -17.206 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.839 32.396 -18.369 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.052 33.093 -20.076 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.847 32.729 -18.856 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.330 30.208 -18.339 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.713 28.026 -19.646 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.047 31.801 -21.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.464 27.086 -21.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.084 30.233 -23.074 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.296 27.880 -23.227 1.00 0.00 H new ATOM 851 N LEU A 56 -22.868 30.887 -16.537 1.00 0.00 N ATOM 852 CA LEU A 56 -22.555 30.144 -15.311 1.00 0.00 C ATOM 853 C LEU A 56 -21.063 29.768 -15.231 1.00 0.00 C ATOM 854 O LEU A 56 -20.516 29.074 -16.095 1.00 0.00 O ATOM 855 CB LEU A 56 -23.470 28.906 -15.210 1.00 0.00 C ATOM 856 CG LEU A 56 -24.133 28.723 -13.835 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.166 27.600 -13.900 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.121 28.360 -12.750 1.00 0.00 C ATOM 0 H LEU A 56 -23.456 30.366 -17.187 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.748 30.789 -14.454 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.249 28.981 -15.969 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.885 28.016 -15.440 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.599 29.676 -13.582 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.631 27.477 -12.922 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.930 27.850 -14.636 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.675 26.670 -14.188 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.636 28.241 -11.797 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.625 27.426 -13.013 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.379 29.154 -12.665 1.00 0.00 H new ATOM 870 N CYS A 57 -20.406 30.205 -14.162 1.00 0.00 N ATOM 871 CA CYS A 57 -18.992 29.951 -13.901 1.00 0.00 C ATOM 872 C CYS A 57 -18.771 28.624 -13.167 1.00 0.00 C ATOM 873 O CYS A 57 -19.676 28.078 -12.532 1.00 0.00 O ATOM 874 CB CYS A 57 -18.397 31.123 -13.119 1.00 0.00 C ATOM 875 SG CYS A 57 -18.230 32.545 -14.219 1.00 0.00 S ATOM 0 H CYS A 57 -20.853 30.761 -13.433 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.479 29.863 -14.858 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -19.038 31.375 -12.274 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.425 30.847 -12.711 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.726 33.546 -13.560 1.00 0.00 H new ATOM 881 N ARG A 58 -17.533 28.120 -13.212 1.00 0.00 N ATOM 882 CA ARG A 58 -17.168 26.795 -12.682 1.00 0.00 C ATOM 883 C ARG A 58 -17.231 26.729 -11.143 1.00 0.00 C ATOM 884 O ARG A 58 -17.335 25.639 -10.580 1.00 0.00 O ATOM 885 CB ARG A 58 -15.773 26.399 -13.192 1.00 0.00 C ATOM 886 CG ARG A 58 -15.592 26.061 -14.687 1.00 0.00 C ATOM 887 CD ARG A 58 -15.978 27.091 -15.771 1.00 0.00 C ATOM 888 NE ARG A 58 -17.426 27.161 -16.082 1.00 0.00 N ATOM 889 CZ ARG A 58 -18.173 26.285 -16.730 1.00 0.00 C ATOM 890 NH1 ARG A 58 -17.703 25.153 -17.173 1.00 0.00 N ATOM 891 NH2 ARG A 58 -19.430 26.543 -16.953 1.00 0.00 N ATOM 0 H ARG A 58 -16.746 28.623 -13.621 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.906 26.081 -13.048 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.091 27.216 -12.954 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.446 25.533 -12.617 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.541 25.813 -14.837 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.164 25.155 -14.885 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.643 28.077 -15.450 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.436 26.853 -16.686 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.910 27.996 -15.752 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.722 24.915 -17.024 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.316 24.505 -17.669 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.836 27.420 -16.628 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.008 25.868 -17.453 1.00 0.00 H new ATOM 905 N ASN A 59 -17.244 27.887 -10.472 1.00 0.00 N ATOM 906 CA ASN A 59 -17.525 28.028 -9.034 1.00 0.00 C ATOM 907 C ASN A 59 -18.980 27.641 -8.654 1.00 0.00 C ATOM 908 O ASN A 59 -19.287 27.386 -7.489 1.00 0.00 O ATOM 909 CB ASN A 59 -17.224 29.493 -8.665 1.00 0.00 C ATOM 910 CG ASN A 59 -17.440 29.890 -7.210 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.265 29.118 -6.278 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.767 31.141 -6.971 1.00 0.00 N ATOM 0 H ASN A 59 -17.054 28.780 -10.926 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.897 27.337 -8.472 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.186 29.703 -8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.845 30.136 -9.289 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.874 31.465 -6.010 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.914 31.787 -7.747 1.00 0.00 H new ATOM 919 N GLY A 60 -19.879 27.577 -9.640 1.00 0.00 N ATOM 920 CA GLY A 60 -21.312 27.312 -9.466 1.00 0.00 C ATOM 921 C GLY A 60 -22.160 28.578 -9.294 1.00 0.00 C ATOM 922 O GLY A 60 -23.328 28.476 -8.913 1.00 0.00 O ATOM 0 H GLY A 60 -19.621 27.713 -10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.677 26.757 -10.330 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.450 26.672 -8.594 1.00 0.00 H new ATOM 926 N MET A 61 -21.594 29.762 -9.569 1.00 0.00 N ATOM 927 CA MET A 61 -22.286 31.054 -9.529 1.00 0.00 C ATOM 928 C MET A 61 -22.422 31.658 -10.933 1.00 0.00 C ATOM 929 O MET A 61 -21.558 31.472 -11.790 1.00 0.00 O ATOM 930 CB MET A 61 -21.552 31.990 -8.550 1.00 0.00 C ATOM 931 CG MET A 61 -22.369 33.233 -8.164 1.00 0.00 C ATOM 932 SD MET A 61 -24.022 32.893 -7.489 1.00 0.00 S ATOM 933 CE MET A 61 -24.633 34.585 -7.264 1.00 0.00 C ATOM 0 H MET A 61 -20.612 29.847 -9.833 1.00 0.00 H new ATOM 0 HA MET A 61 -23.304 30.912 -9.166 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.302 31.434 -7.646 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.611 32.308 -9.000 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.804 33.805 -7.428 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.477 33.865 -9.045 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.673 34.556 -6.939 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.031 35.092 -6.510 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.563 35.126 -8.208 1.00 0.00 H new ATOM 943 N GLU A 62 -23.500 32.403 -11.174 1.00 0.00 N ATOM 944 CA GLU A 62 -23.717 33.141 -12.423 1.00 0.00 C ATOM 945 C GLU A 62 -22.691 34.278 -12.556 1.00 0.00 C ATOM 946 O GLU A 62 -22.720 35.255 -11.802 1.00 0.00 O ATOM 947 CB GLU A 62 -25.160 33.672 -12.492 1.00 0.00 C ATOM 948 CG GLU A 62 -26.186 32.537 -12.614 1.00 0.00 C ATOM 949 CD GLU A 62 -27.617 33.097 -12.727 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.273 33.318 -11.679 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.103 33.313 -13.864 1.00 0.00 O ATOM 0 H GLU A 62 -24.258 32.514 -10.501 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.574 32.462 -13.264 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.373 34.259 -11.599 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.259 34.343 -13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.959 31.929 -13.490 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.115 31.883 -11.745 1.00 0.00 H new ATOM 958 N GLY A 63 -21.759 34.130 -13.499 1.00 0.00 N ATOM 959 CA GLY A 63 -20.744 35.128 -13.820 1.00 0.00 C ATOM 960 C GLY A 63 -21.225 36.151 -14.847 1.00 0.00 C ATOM 961 O GLY A 63 -21.988 35.817 -15.755 1.00 0.00 O ATOM 0 H GLY A 63 -21.690 33.290 -14.074 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.449 35.647 -12.908 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.855 34.626 -14.202 1.00 0.00 H new ATOM 965 N THR A 64 -20.733 37.387 -14.760 1.00 0.00 N ATOM 966 CA THR A 64 -20.990 38.440 -15.760 1.00 0.00 C ATOM 967 C THR A 64 -19.767 38.697 -16.631 1.00 0.00 C ATOM 968 O THR A 64 -18.646 38.697 -16.129 1.00 0.00 O ATOM 969 CB THR A 64 -21.443 39.750 -15.100 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.592 39.526 -14.309 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.803 40.844 -16.111 1.00 0.00 C ATOM 0 H THR A 64 -20.139 37.695 -13.990 1.00 0.00 H new ATOM 0 HA THR A 64 -21.798 38.075 -16.395 1.00 0.00 H new ATOM 0 HB THR A 64 -20.595 40.086 -14.503 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.871 40.368 -13.892 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.115 41.743 -15.579 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.933 41.071 -16.727 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.618 40.498 -16.747 1.00 0.00 H new ATOM 979 N LEU A 65 -19.985 38.909 -17.930 1.00 0.00 N ATOM 980 CA LEU A 65 -18.949 39.090 -18.947 1.00 0.00 C ATOM 981 C LEU A 65 -18.005 40.275 -18.658 1.00 0.00 C ATOM 982 O LEU A 65 -18.448 41.425 -18.586 1.00 0.00 O ATOM 983 CB LEU A 65 -19.684 39.225 -20.294 1.00 0.00 C ATOM 984 CG LEU A 65 -18.793 39.193 -21.548 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.247 37.810 -21.826 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.601 39.640 -22.767 1.00 0.00 C ATOM 0 H LEU A 65 -20.927 38.961 -18.318 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.277 38.232 -18.956 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.415 38.420 -20.370 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.241 40.162 -20.291 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.957 39.867 -21.362 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.624 37.838 -22.720 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.649 37.478 -20.978 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.074 37.117 -21.981 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.966 39.616 -23.653 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.448 38.968 -22.909 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.966 40.655 -22.609 1.00 0.00 H new