USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 267 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= 0.974 K(o=0.92,f=-0.005) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0508 X(o=0.92,f=1) USER MOD Single : A 29 GLN : amide:sc= 0.795 K(o=0.79,f=-0.0092) USER MOD Single : A 33 TYR OH : rot 19:sc= 0.249 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.172 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.57 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.248 31.072 -29.409 1.00 0.00 N ATOM 438 CA GLN A 29 -14.232 32.393 -28.771 1.00 0.00 C ATOM 439 C GLN A 29 -14.192 32.218 -27.247 1.00 0.00 C ATOM 440 O GLN A 29 -15.197 31.906 -26.608 1.00 0.00 O ATOM 441 CB GLN A 29 -15.498 33.192 -29.137 1.00 0.00 C ATOM 442 CG GLN A 29 -15.764 33.361 -30.643 1.00 0.00 C ATOM 443 CD GLN A 29 -17.158 32.875 -31.015 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.968 33.581 -31.598 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.466 31.643 -30.674 1.00 0.00 N ATOM 0 HA GLN A 29 -13.353 32.934 -29.121 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.360 32.699 -28.687 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.425 34.181 -28.686 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.657 34.410 -30.918 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.019 32.805 -31.211 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.783 31.062 -30.188 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.388 31.268 -30.896 1.00 0.00 H new ATOM 454 N ILE A 30 -13.022 32.405 -26.650 1.00 0.00 N ATOM 455 CA ILE A 30 -12.839 32.413 -25.201 1.00 0.00 C ATOM 456 C ILE A 30 -13.271 33.783 -24.667 1.00 0.00 C ATOM 457 O ILE A 30 -12.579 34.788 -24.850 1.00 0.00 O ATOM 458 CB ILE A 30 -11.385 32.053 -24.831 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.986 30.602 -25.182 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.179 32.198 -23.310 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.159 30.111 -26.623 1.00 0.00 C ATOM 0 H ILE A 30 -12.156 32.558 -27.167 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.461 31.651 -24.731 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.768 32.738 -25.413 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.937 30.476 -24.915 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.561 29.938 -24.537 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.150 31.942 -23.056 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.381 33.227 -23.012 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.860 31.528 -22.785 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.832 29.074 -26.696 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.209 30.182 -26.908 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.559 30.728 -27.292 1.00 0.00 H new ATOM 473 N ALA A 31 -14.414 33.805 -23.988 1.00 0.00 N ATOM 474 CA ALA A 31 -14.861 34.918 -23.155 1.00 0.00 C ATOM 475 C ALA A 31 -14.516 34.666 -21.679 1.00 0.00 C ATOM 476 O ALA A 31 -14.295 33.526 -21.259 1.00 0.00 O ATOM 477 CB ALA A 31 -16.362 35.128 -23.380 1.00 0.00 C ATOM 0 H ALA A 31 -15.074 33.027 -24.002 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.340 35.833 -23.437 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.710 35.957 -22.764 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.544 35.355 -24.430 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.901 34.221 -23.106 1.00 0.00 H new ATOM 483 N ARG A 32 -14.493 35.729 -20.874 1.00 0.00 N ATOM 484 CA ARG A 32 -14.347 35.670 -19.411 1.00 0.00 C ATOM 485 C ARG A 32 -15.623 36.136 -18.719 1.00 0.00 C ATOM 486 O ARG A 32 -16.333 36.991 -19.249 1.00 0.00 O ATOM 487 CB ARG A 32 -13.112 36.473 -18.961 1.00 0.00 C ATOM 488 CG ARG A 32 -11.924 35.537 -18.734 1.00 0.00 C ATOM 489 CD ARG A 32 -10.663 36.288 -18.305 1.00 0.00 C ATOM 490 NE ARG A 32 -9.618 35.344 -17.860 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.329 35.585 -17.730 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.825 36.748 -18.018 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.538 34.644 -17.307 1.00 0.00 N ATOM 0 H ARG A 32 -14.577 36.682 -21.227 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.186 34.634 -19.114 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.858 37.217 -19.716 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.337 37.015 -18.043 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.184 34.803 -17.971 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.720 34.984 -19.651 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.290 36.886 -19.136 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.903 36.980 -17.497 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.929 34.401 -17.627 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.431 37.498 -18.353 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.824 36.911 -17.909 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.916 33.725 -17.078 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.539 34.825 -17.204 1.00 0.00 H new ATOM 507 N TYR A 33 -15.878 35.613 -17.519 1.00 0.00 N ATOM 508 CA TYR A 33 -17.005 36.006 -16.669 1.00 0.00 C ATOM 509 C TYR A 33 -16.607 36.055 -15.184 1.00 0.00 C ATOM 510 O TYR A 33 -15.835 35.220 -14.714 1.00 0.00 O ATOM 511 CB TYR A 33 -18.192 35.061 -16.859 1.00 0.00 C ATOM 512 CG TYR A 33 -18.769 34.985 -18.252 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.145 34.196 -19.236 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.959 35.671 -18.548 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.731 34.070 -20.506 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.546 35.548 -19.817 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.959 34.707 -20.780 1.00 0.00 C ATOM 518 OH TYR A 33 -20.617 34.458 -21.937 1.00 0.00 O ATOM 0 H TYR A 33 -15.295 34.888 -17.101 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.300 37.009 -16.976 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.883 34.059 -16.561 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.985 35.366 -16.176 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.218 33.689 -19.015 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.423 36.294 -17.798 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.242 33.486 -21.272 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.445 36.097 -20.053 1.00 0.00 H new ATOM 0 HH TYR A 33 -20.289 33.620 -22.326 1.00 0.00 H new ATOM 528 N ARG A 34 -17.141 37.041 -14.454 1.00 0.00 N ATOM 529 CA ARG A 34 -16.863 37.347 -13.041 1.00 0.00 C ATOM 530 C ARG A 34 -18.070 37.017 -12.167 1.00 0.00 C ATOM 531 O ARG A 34 -19.162 37.525 -12.418 1.00 0.00 O ATOM 532 CB ARG A 34 -16.476 38.833 -12.933 1.00 0.00 C ATOM 533 CG ARG A 34 -16.047 39.243 -11.517 1.00 0.00 C ATOM 534 CD ARG A 34 -15.559 40.694 -11.531 1.00 0.00 C ATOM 535 NE ARG A 34 -15.225 41.178 -10.177 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.029 41.275 -9.618 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.924 40.935 -10.218 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.921 41.732 -8.403 1.00 0.00 N ATOM 0 H ARG A 34 -17.820 37.687 -14.856 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.037 36.733 -12.682 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.662 39.042 -13.627 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.323 39.446 -13.241 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.884 39.136 -10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.254 38.585 -11.161 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.681 40.775 -12.172 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.330 41.332 -11.964 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.013 41.474 -9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.952 40.571 -11.171 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.031 41.033 -9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.755 42.013 -7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.002 41.809 -7.967 1.00 0.00 H new ATOM 552 N THR A 35 -17.874 36.183 -11.153 1.00 0.00 N ATOM 553 CA THR A 35 -18.923 35.702 -10.236 1.00 0.00 C ATOM 554 C THR A 35 -19.233 36.728 -9.147 1.00 0.00 C ATOM 555 O THR A 35 -18.591 37.777 -9.043 1.00 0.00 O ATOM 556 CB THR A 35 -18.548 34.379 -9.561 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.409 34.561 -8.774 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.296 33.252 -10.542 1.00 0.00 C ATOM 0 H THR A 35 -16.953 35.805 -10.931 1.00 0.00 H new ATOM 0 HA THR A 35 -19.805 35.545 -10.857 1.00 0.00 H new ATOM 0 HB THR A 35 -19.404 34.088 -8.952 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.643 34.766 -9.350 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.035 32.346 -9.996 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.196 33.075 -11.131 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.475 33.524 -11.206 1.00 0.00 H new ATOM 566 N ASP A 36 -20.185 36.403 -8.271 1.00 0.00 N ATOM 567 CA ASP A 36 -20.606 37.296 -7.196 1.00 0.00 C ATOM 568 C ASP A 36 -19.571 37.445 -6.063 1.00 0.00 C ATOM 569 O ASP A 36 -19.630 38.428 -5.321 1.00 0.00 O ATOM 570 CB ASP A 36 -21.977 36.838 -6.677 1.00 0.00 C ATOM 571 CG ASP A 36 -22.626 37.862 -5.729 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.967 38.980 -6.188 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.836 37.541 -4.534 1.00 0.00 O ATOM 0 H ASP A 36 -20.684 35.514 -8.289 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.689 38.300 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.641 36.661 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.865 35.887 -6.156 1.00 0.00 H new ATOM 578 N ASN A 37 -18.576 36.546 -5.962 1.00 0.00 N ATOM 579 CA ASN A 37 -17.449 36.739 -5.033 1.00 0.00 C ATOM 580 C ASN A 37 -16.251 37.475 -5.686 1.00 0.00 C ATOM 581 O ASN A 37 -15.194 37.612 -5.067 1.00 0.00 O ATOM 582 CB ASN A 37 -17.012 35.418 -4.386 1.00 0.00 C ATOM 583 CG ASN A 37 -18.112 34.439 -4.024 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.179 34.776 -3.528 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.851 33.173 -4.245 1.00 0.00 N ATOM 0 H ASN A 37 -18.529 35.685 -6.508 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.817 37.390 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.322 34.918 -5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.453 35.652 -3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.540 32.461 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.959 32.901 -4.659 1.00 0.00 H new ATOM 592 N GLY A 38 -16.385 37.898 -6.950 1.00 0.00 N ATOM 593 CA GLY A 38 -15.290 38.396 -7.794 1.00 0.00 C ATOM 594 C GLY A 38 -14.431 37.311 -8.438 1.00 0.00 C ATOM 595 O GLY A 38 -13.386 37.626 -9.009 1.00 0.00 O ATOM 0 H GLY A 38 -17.286 37.903 -7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.713 39.020 -8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.648 39.037 -7.190 1.00 0.00 H new ATOM 599 N GLU A 39 -14.830 36.041 -8.343 1.00 0.00 N ATOM 600 CA GLU A 39 -14.061 34.928 -8.919 1.00 0.00 C ATOM 601 C GLU A 39 -14.243 34.942 -10.443 1.00 0.00 C ATOM 602 O GLU A 39 -15.369 34.843 -10.929 1.00 0.00 O ATOM 603 CB GLU A 39 -14.478 33.567 -8.321 1.00 0.00 C ATOM 604 CG GLU A 39 -14.825 33.630 -6.828 1.00 0.00 C ATOM 605 CD GLU A 39 -14.559 32.353 -6.011 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.561 31.631 -6.252 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.350 32.106 -5.067 1.00 0.00 O ATOM 0 H GLU A 39 -15.687 35.753 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.008 35.061 -8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.340 33.188 -8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.668 32.852 -8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.259 34.447 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.881 33.883 -6.733 1.00 0.00 H new ATOM 614 N GLU A 40 -13.159 35.084 -11.200 1.00 0.00 N ATOM 615 CA GLU A 40 -13.193 35.170 -12.668 1.00 0.00 C ATOM 616 C GLU A 40 -12.776 33.851 -13.333 1.00 0.00 C ATOM 617 O GLU A 40 -11.723 33.284 -13.025 1.00 0.00 O ATOM 618 CB GLU A 40 -12.297 36.317 -13.168 1.00 0.00 C ATOM 619 CG GLU A 40 -12.968 37.675 -12.936 1.00 0.00 C ATOM 620 CD GLU A 40 -12.098 38.882 -13.336 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.232 38.770 -14.238 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.304 39.967 -12.742 1.00 0.00 O ATOM 0 H GLU A 40 -12.217 35.144 -10.812 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.226 35.373 -12.951 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.338 36.287 -12.650 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.090 36.186 -14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.900 37.709 -13.501 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.231 37.763 -11.882 1.00 0.00 H new ATOM 629 N PHE A 41 -13.600 33.387 -14.278 1.00 0.00 N ATOM 630 CA PHE A 41 -13.404 32.152 -15.048 1.00 0.00 C ATOM 631 C PHE A 41 -13.529 32.389 -16.557 1.00 0.00 C ATOM 632 O PHE A 41 -14.099 33.387 -16.998 1.00 0.00 O ATOM 633 CB PHE A 41 -14.425 31.104 -14.593 1.00 0.00 C ATOM 634 CG PHE A 41 -14.263 30.669 -13.148 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.906 31.362 -12.101 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.429 29.576 -12.843 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.707 30.952 -10.776 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.221 29.180 -11.512 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.859 29.874 -10.474 1.00 0.00 C ATOM 0 H PHE A 41 -14.455 33.879 -14.538 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.392 31.794 -14.860 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.429 31.507 -14.730 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.342 30.228 -15.237 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.547 32.203 -12.319 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.944 29.036 -13.642 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.213 31.472 -9.976 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.573 28.345 -11.289 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.699 29.581 -9.447 1.00 0.00 H new ATOM 649 N GLU A 42 -13.029 31.445 -17.357 1.00 0.00 N ATOM 650 CA GLU A 42 -13.044 31.499 -18.818 1.00 0.00 C ATOM 651 C GLU A 42 -14.015 30.467 -19.399 1.00 0.00 C ATOM 652 O GLU A 42 -14.003 29.295 -19.009 1.00 0.00 O ATOM 653 CB GLU A 42 -11.641 31.275 -19.415 1.00 0.00 C ATOM 654 CG GLU A 42 -10.533 32.119 -18.773 1.00 0.00 C ATOM 655 CD GLU A 42 -9.791 31.498 -17.574 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.005 30.307 -17.232 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.980 32.241 -16.968 1.00 0.00 O ATOM 0 H GLU A 42 -12.590 30.598 -16.995 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.379 32.500 -19.090 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.382 30.221 -19.314 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.675 31.495 -20.482 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.797 32.355 -19.542 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.970 33.064 -18.449 1.00 0.00 H new ATOM 664 N VAL A 43 -14.829 30.897 -20.361 1.00 0.00 N ATOM 665 CA VAL A 43 -15.802 30.056 -21.070 1.00 0.00 C ATOM 666 C VAL A 43 -15.505 30.071 -22.580 1.00 0.00 C ATOM 667 O VAL A 43 -15.699 31.104 -23.228 1.00 0.00 O ATOM 668 CB VAL A 43 -17.247 30.497 -20.783 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.245 29.518 -21.411 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.552 30.604 -19.282 1.00 0.00 C ATOM 0 H VAL A 43 -14.833 31.866 -20.680 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.703 29.034 -20.704 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.351 31.488 -21.224 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.262 29.847 -21.197 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.094 29.486 -22.490 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.090 28.523 -20.994 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.586 30.919 -19.142 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.402 29.633 -18.810 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.885 31.336 -18.826 1.00 0.00 H new ATOM 680 N PRO A 44 -15.026 28.956 -23.163 1.00 0.00 N ATOM 681 CA PRO A 44 -14.854 28.810 -24.608 1.00 0.00 C ATOM 682 C PRO A 44 -16.194 28.526 -25.317 1.00 0.00 C ATOM 683 O PRO A 44 -16.847 27.510 -25.066 1.00 0.00 O ATOM 684 CB PRO A 44 -13.840 27.672 -24.779 1.00 0.00 C ATOM 685 CG PRO A 44 -14.029 26.810 -23.530 1.00 0.00 C ATOM 686 CD PRO A 44 -14.499 27.794 -22.457 1.00 0.00 C ATOM 0 HA PRO A 44 -14.493 29.728 -25.071 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.030 27.102 -25.689 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.821 28.053 -24.849 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.765 26.023 -23.698 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.099 26.320 -23.240 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.265 27.343 -21.826 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.674 28.078 -21.803 1.00 0.00 H new ATOM 694 N PHE A 45 -16.580 29.410 -26.239 1.00 0.00 N ATOM 695 CA PHE A 45 -17.751 29.290 -27.125 1.00 0.00 C ATOM 696 C PHE A 45 -17.345 28.882 -28.539 1.00 0.00 C ATOM 697 O PHE A 45 -16.372 29.403 -29.071 1.00 0.00 O ATOM 698 CB PHE A 45 -18.487 30.633 -27.193 1.00 0.00 C ATOM 699 CG PHE A 45 -19.312 30.934 -25.963 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.690 31.462 -24.819 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.697 30.677 -25.956 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.450 31.732 -23.672 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.456 30.954 -24.805 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.830 31.478 -23.661 1.00 0.00 C ATOM 0 H PHE A 45 -16.062 30.274 -26.400 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.400 28.518 -26.712 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.758 31.431 -27.335 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.138 30.637 -28.067 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.628 31.660 -24.823 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.175 30.268 -26.834 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.971 32.137 -22.793 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.519 30.764 -24.800 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.411 31.685 -22.774 1.00 0.00 H new ATOM 714 N ALA A 46 -18.125 28.036 -29.201 1.00 0.00 N ATOM 715 CA ALA A 46 -17.892 27.650 -30.596 1.00 0.00 C ATOM 716 C ALA A 46 -18.418 28.723 -31.567 1.00 0.00 C ATOM 717 O ALA A 46 -19.300 29.505 -31.216 1.00 0.00 O ATOM 718 CB ALA A 46 -18.538 26.281 -30.844 1.00 0.00 C ATOM 0 H ALA A 46 -18.944 27.593 -28.786 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.821 27.571 -30.781 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.372 25.982 -31.879 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.093 25.543 -30.177 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.609 26.344 -30.652 1.00 0.00 H new ATOM 724 N ASP A 47 -17.917 28.746 -32.803 1.00 0.00 N ATOM 725 CA ASP A 47 -18.329 29.688 -33.863 1.00 0.00 C ATOM 726 C ASP A 47 -19.831 29.602 -34.224 1.00 0.00 C ATOM 727 O ASP A 47 -20.407 30.551 -34.761 1.00 0.00 O ATOM 728 CB ASP A 47 -17.447 29.433 -35.094 1.00 0.00 C ATOM 729 CG ASP A 47 -17.711 30.426 -36.238 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.354 31.621 -36.099 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.234 30.007 -37.300 1.00 0.00 O ATOM 0 H ASP A 47 -17.194 28.095 -33.110 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.190 30.702 -33.489 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.399 29.494 -34.802 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.619 28.419 -35.454 1.00 0.00 H new ATOM 736 N ASP A 48 -20.488 28.484 -33.890 1.00 0.00 N ATOM 737 CA ASP A 48 -21.943 28.297 -34.009 1.00 0.00 C ATOM 738 C ASP A 48 -22.753 29.099 -32.960 1.00 0.00 C ATOM 739 O ASP A 48 -23.971 29.252 -33.093 1.00 0.00 O ATOM 740 CB ASP A 48 -22.231 26.793 -33.902 1.00 0.00 C ATOM 741 CG ASP A 48 -23.688 26.434 -34.243 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.109 26.641 -35.408 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.406 25.898 -33.363 1.00 0.00 O ATOM 0 H ASP A 48 -20.011 27.662 -33.520 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.267 28.687 -34.974 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.563 26.252 -34.572 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.007 26.457 -32.890 1.00 0.00 H new ATOM 748 N ALA A 49 -22.083 29.624 -31.929 1.00 0.00 N ATOM 749 CA ALA A 49 -22.650 30.384 -30.811 1.00 0.00 C ATOM 750 C ALA A 49 -22.062 31.808 -30.695 1.00 0.00 C ATOM 751 O ALA A 49 -20.981 32.102 -31.209 1.00 0.00 O ATOM 752 CB ALA A 49 -22.419 29.581 -29.523 1.00 0.00 C ATOM 0 H ALA A 49 -21.071 29.524 -31.848 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.717 30.523 -30.987 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.833 30.127 -28.675 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.910 28.612 -29.606 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.349 29.434 -29.373 1.00 0.00 H new ATOM 758 N GLU A 50 -22.761 32.688 -29.971 1.00 0.00 N ATOM 759 CA GLU A 50 -22.309 34.044 -29.617 1.00 0.00 C ATOM 760 C GLU A 50 -22.494 34.321 -28.118 1.00 0.00 C ATOM 761 O GLU A 50 -23.478 33.894 -27.514 1.00 0.00 O ATOM 762 CB GLU A 50 -23.049 35.109 -30.444 1.00 0.00 C ATOM 763 CG GLU A 50 -22.558 35.158 -31.893 1.00 0.00 C ATOM 764 CD GLU A 50 -23.347 36.199 -32.711 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.941 37.387 -32.745 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.380 35.840 -33.330 1.00 0.00 O ATOM 0 H GLU A 50 -23.687 32.472 -29.602 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.245 34.100 -29.849 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.118 34.899 -30.431 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.911 36.086 -29.982 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.496 35.404 -31.912 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.665 34.174 -32.350 1.00 0.00 H new ATOM 773 N ILE A 51 -21.538 35.055 -27.542 1.00 0.00 N ATOM 774 CA ILE A 51 -21.365 35.362 -26.115 1.00 0.00 C ATOM 775 C ILE A 51 -22.580 36.123 -25.550 1.00 0.00 C ATOM 776 O ILE A 51 -22.797 37.291 -25.898 1.00 0.00 O ATOM 777 CB ILE A 51 -20.074 36.177 -25.850 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.862 35.737 -26.709 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.702 36.133 -24.354 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.395 34.290 -26.526 1.00 0.00 C ATOM 0 H ILE A 51 -20.805 35.486 -28.105 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.279 34.404 -25.603 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.306 37.199 -26.148 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.114 35.886 -27.759 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.025 36.398 -26.485 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.793 36.711 -24.188 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.515 36.557 -23.764 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.535 35.099 -24.051 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.542 34.098 -27.177 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.102 34.131 -25.488 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.208 33.610 -26.782 1.00 0.00 H new ATOM 792 N PRO A 52 -23.383 35.487 -24.686 1.00 0.00 N ATOM 793 CA PRO A 52 -24.414 36.158 -23.910 1.00 0.00 C ATOM 794 C PRO A 52 -23.792 37.071 -22.838 1.00 0.00 C ATOM 795 O PRO A 52 -22.692 36.826 -22.346 1.00 0.00 O ATOM 796 CB PRO A 52 -25.249 35.025 -23.310 1.00 0.00 C ATOM 797 CG PRO A 52 -24.270 33.859 -23.190 1.00 0.00 C ATOM 798 CD PRO A 52 -23.252 34.096 -24.298 1.00 0.00 C ATOM 0 HA PRO A 52 -25.032 36.821 -24.515 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.658 35.303 -22.339 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.094 34.771 -23.950 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.793 33.842 -22.210 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.776 32.902 -23.315 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.242 33.884 -23.948 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.441 33.437 -25.146 1.00 0.00 H new ATOM 806 N GLY A 53 -24.512 38.127 -22.448 1.00 0.00 N ATOM 807 CA GLY A 53 -24.105 39.083 -21.402 1.00 0.00 C ATOM 808 C GLY A 53 -23.649 38.448 -20.075 1.00 0.00 C ATOM 809 O GLY A 53 -22.789 39.008 -19.389 1.00 0.00 O ATOM 0 H GLY A 53 -25.418 38.351 -22.859 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.293 39.698 -21.790 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.941 39.752 -21.198 1.00 0.00 H new ATOM 813 N THR A 54 -24.183 37.274 -19.718 1.00 0.00 N ATOM 814 CA THR A 54 -23.755 36.491 -18.549 1.00 0.00 C ATOM 815 C THR A 54 -23.758 34.973 -18.811 1.00 0.00 C ATOM 816 O THR A 54 -24.429 34.493 -19.728 1.00 0.00 O ATOM 817 CB THR A 54 -24.681 36.748 -17.342 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.014 36.384 -17.645 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.766 38.216 -16.934 1.00 0.00 C ATOM 0 H THR A 54 -24.938 36.832 -20.242 1.00 0.00 H new ATOM 0 HA THR A 54 -22.736 36.818 -18.341 1.00 0.00 H new ATOM 0 HB THR A 54 -24.243 36.155 -16.539 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.584 36.553 -16.866 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.435 38.318 -16.079 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.774 38.576 -16.663 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.150 38.804 -17.768 1.00 0.00 H new ATOM 827 N TRP A 55 -23.015 34.206 -18.000 1.00 0.00 N ATOM 828 CA TRP A 55 -22.877 32.744 -18.105 1.00 0.00 C ATOM 829 C TRP A 55 -22.434 32.096 -16.778 1.00 0.00 C ATOM 830 O TRP A 55 -21.688 32.692 -16.000 1.00 0.00 O ATOM 831 CB TRP A 55 -21.865 32.411 -19.207 1.00 0.00 C ATOM 832 CG TRP A 55 -21.832 30.979 -19.635 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.024 30.029 -19.123 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.620 30.309 -20.664 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.212 28.839 -19.792 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.198 28.948 -20.749 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.638 30.724 -21.547 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.754 28.047 -21.671 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.209 29.829 -22.472 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.768 28.493 -22.536 1.00 0.00 C ATOM 0 H TRP A 55 -22.476 34.598 -17.228 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.858 32.336 -18.350 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.086 33.028 -20.078 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.870 32.692 -18.861 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.331 30.179 -18.308 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.687 27.985 -19.603 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.986 31.746 -21.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.407 27.025 -21.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.990 30.169 -23.136 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.209 27.812 -23.249 1.00 0.00 H new ATOM 851 N LEU A 56 -22.868 30.861 -16.502 1.00 0.00 N ATOM 852 CA LEU A 56 -22.530 30.129 -15.275 1.00 0.00 C ATOM 853 C LEU A 56 -21.044 29.716 -15.245 1.00 0.00 C ATOM 854 O LEU A 56 -20.548 29.050 -16.155 1.00 0.00 O ATOM 855 CB LEU A 56 -23.472 28.916 -15.134 1.00 0.00 C ATOM 856 CG LEU A 56 -24.087 28.758 -13.733 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.184 27.694 -13.759 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.051 28.331 -12.698 1.00 0.00 C ATOM 0 H LEU A 56 -23.472 30.334 -17.133 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.675 30.786 -14.418 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.276 29.007 -15.864 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.919 28.010 -15.381 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.490 29.732 -13.455 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.613 27.589 -12.763 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.963 27.992 -14.460 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.759 26.741 -14.073 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.530 28.232 -11.724 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.619 27.374 -12.989 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.263 29.082 -12.640 1.00 0.00 H new ATOM 870 N CYS A 57 -20.335 30.099 -14.184 1.00 0.00 N ATOM 871 CA CYS A 57 -18.905 29.846 -14.002 1.00 0.00 C ATOM 872 C CYS A 57 -18.624 28.542 -13.244 1.00 0.00 C ATOM 873 O CYS A 57 -19.496 27.989 -12.568 1.00 0.00 O ATOM 874 CB CYS A 57 -18.284 31.042 -13.274 1.00 0.00 C ATOM 875 SG CYS A 57 -18.236 32.461 -14.389 1.00 0.00 S ATOM 0 H CYS A 57 -20.751 30.609 -13.404 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.453 29.725 -14.986 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.866 31.283 -12.385 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.277 30.795 -12.938 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.711 33.479 -13.774 1.00 0.00 H new ATOM 881 N ARG A 58 -17.364 28.087 -13.292 1.00 0.00 N ATOM 882 CA ARG A 58 -16.925 26.809 -12.696 1.00 0.00 C ATOM 883 C ARG A 58 -17.054 26.763 -11.165 1.00 0.00 C ATOM 884 O ARG A 58 -17.133 25.679 -10.588 1.00 0.00 O ATOM 885 CB ARG A 58 -15.472 26.479 -13.102 1.00 0.00 C ATOM 886 CG ARG A 58 -15.138 26.698 -14.589 1.00 0.00 C ATOM 887 CD ARG A 58 -13.680 26.323 -14.889 1.00 0.00 C ATOM 888 NE ARG A 58 -13.218 26.980 -16.130 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.104 27.666 -16.307 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.150 27.737 -15.424 1.00 0.00 N ATOM 891 NH2 ARG A 58 -11.922 28.346 -17.393 1.00 0.00 N ATOM 0 H ARG A 58 -16.610 28.599 -13.750 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.604 26.055 -13.096 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.797 27.089 -12.501 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.270 25.438 -12.851 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.806 26.098 -15.207 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.310 27.741 -14.854 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.044 26.620 -14.055 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.590 25.241 -14.989 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.829 26.893 -16.942 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.240 27.245 -14.535 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.312 28.285 -15.621 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.641 28.353 -18.117 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.060 28.875 -17.525 1.00 0.00 H new ATOM 905 N ASN A 59 -17.126 27.930 -10.516 1.00 0.00 N ATOM 906 CA ASN A 59 -17.392 28.075 -9.079 1.00 0.00 C ATOM 907 C ASN A 59 -18.827 27.641 -8.678 1.00 0.00 C ATOM 908 O ASN A 59 -19.114 27.395 -7.506 1.00 0.00 O ATOM 909 CB ASN A 59 -17.126 29.548 -8.725 1.00 0.00 C ATOM 910 CG ASN A 59 -17.336 29.946 -7.271 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.121 29.188 -6.336 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.702 31.187 -7.040 1.00 0.00 N ATOM 0 H ASN A 59 -16.997 28.825 -10.988 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.737 27.410 -8.516 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.098 29.784 -8.998 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.771 30.170 -9.345 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.807 31.518 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.881 31.819 -7.820 1.00 0.00 H new ATOM 919 N GLY A 60 -19.738 27.537 -9.651 1.00 0.00 N ATOM 920 CA GLY A 60 -21.165 27.253 -9.448 1.00 0.00 C ATOM 921 C GLY A 60 -22.022 28.513 -9.267 1.00 0.00 C ATOM 922 O GLY A 60 -23.168 28.414 -8.823 1.00 0.00 O ATOM 0 H GLY A 60 -19.496 27.652 -10.635 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.540 26.688 -10.302 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.279 26.617 -8.570 1.00 0.00 H new ATOM 926 N MET A 61 -21.479 29.692 -9.600 1.00 0.00 N ATOM 927 CA MET A 61 -22.151 30.992 -9.536 1.00 0.00 C ATOM 928 C MET A 61 -22.318 31.604 -10.935 1.00 0.00 C ATOM 929 O MET A 61 -21.474 31.417 -11.813 1.00 0.00 O ATOM 930 CB MET A 61 -21.358 31.903 -8.582 1.00 0.00 C ATOM 931 CG MET A 61 -22.072 33.215 -8.228 1.00 0.00 C ATOM 932 SD MET A 61 -23.751 33.070 -7.552 1.00 0.00 S ATOM 933 CE MET A 61 -23.387 32.360 -5.924 1.00 0.00 C ATOM 0 H MET A 61 -20.519 29.766 -9.935 1.00 0.00 H new ATOM 0 HA MET A 61 -23.161 30.872 -9.145 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.151 31.355 -7.663 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.396 32.137 -9.037 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.459 33.752 -7.505 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.118 33.831 -9.126 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.318 32.208 -5.377 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.879 31.404 -6.049 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.745 33.041 -5.365 1.00 0.00 H new ATOM 943 N GLU A 62 -23.397 32.355 -11.147 1.00 0.00 N ATOM 944 CA GLU A 62 -23.650 33.096 -12.388 1.00 0.00 C ATOM 945 C GLU A 62 -22.631 34.235 -12.550 1.00 0.00 C ATOM 946 O GLU A 62 -22.636 35.208 -11.792 1.00 0.00 O ATOM 947 CB GLU A 62 -25.095 33.623 -12.418 1.00 0.00 C ATOM 948 CG GLU A 62 -26.121 32.486 -12.518 1.00 0.00 C ATOM 949 CD GLU A 62 -27.557 33.041 -12.587 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.191 33.237 -11.521 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.068 33.281 -13.708 1.00 0.00 O ATOM 0 H GLU A 62 -24.134 32.470 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.528 32.418 -13.233 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.287 34.206 -11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.217 34.297 -13.266 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.917 31.884 -13.404 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.023 31.827 -11.656 1.00 0.00 H new ATOM 958 N GLY A 63 -21.726 34.089 -13.520 1.00 0.00 N ATOM 959 CA GLY A 63 -20.719 35.087 -13.868 1.00 0.00 C ATOM 960 C GLY A 63 -21.220 36.108 -14.893 1.00 0.00 C ATOM 961 O GLY A 63 -21.997 35.766 -15.787 1.00 0.00 O ATOM 0 H GLY A 63 -21.674 33.251 -14.099 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.406 35.610 -12.964 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.838 34.583 -14.266 1.00 0.00 H new ATOM 965 N THR A 64 -20.728 37.346 -14.829 1.00 0.00 N ATOM 966 CA THR A 64 -21.019 38.403 -15.818 1.00 0.00 C ATOM 967 C THR A 64 -19.809 38.705 -16.695 1.00 0.00 C ATOM 968 O THR A 64 -18.687 38.742 -16.197 1.00 0.00 O ATOM 969 CB THR A 64 -21.507 39.691 -15.135 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.658 39.416 -14.361 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.879 40.799 -16.129 1.00 0.00 C ATOM 0 H THR A 64 -20.107 37.654 -14.081 1.00 0.00 H new ATOM 0 HA THR A 64 -21.817 38.024 -16.457 1.00 0.00 H new ATOM 0 HB THR A 64 -20.676 40.040 -14.522 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.964 40.239 -13.926 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.215 41.680 -15.583 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.007 41.056 -16.731 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.679 40.449 -16.781 1.00 0.00 H new ATOM 979 N LEU A 65 -20.034 38.895 -17.998 1.00 0.00 N ATOM 980 CA LEU A 65 -19.004 39.040 -19.031 1.00 0.00 C ATOM 981 C LEU A 65 -18.081 40.254 -18.761 1.00 0.00 C ATOM 982 O LEU A 65 -18.551 41.394 -18.706 1.00 0.00 O ATOM 983 CB LEU A 65 -19.748 39.102 -20.383 1.00 0.00 C ATOM 984 CG LEU A 65 -18.947 38.934 -21.691 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.872 39.287 -22.859 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.689 39.790 -21.835 1.00 0.00 C ATOM 0 H LEU A 65 -20.979 38.955 -18.378 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.317 38.194 -19.035 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.519 38.331 -20.369 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.259 40.063 -20.432 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.602 37.900 -21.680 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.330 39.177 -23.798 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.733 38.619 -22.856 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.212 40.317 -22.755 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.215 39.582 -22.794 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.959 40.845 -21.785 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.994 39.555 -21.029 1.00 0.00 H new