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= 0.95 K(o=0.86,f=-0.0054) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0929 X(o=0.86,f=1) USER MOD Single : A 29 GLN : amide:sc= 0.812 K(o=0.81,f=-0.0099) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.489 USER MOD Single : A 35 THR OG1 : rot -65:sc= 0.253 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.47 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 -14.224 31.164 -29.382 1.00 0.00 N ATOM 438 CA GLN A 29 -14.233 32.473 -28.722 1.00 0.00 C ATOM 439 C GLN A 29 -14.203 32.277 -27.200 1.00 0.00 C ATOM 440 O GLN A 29 -15.211 31.954 -26.574 1.00 0.00 O ATOM 441 CB GLN A 29 -15.508 33.258 -29.086 1.00 0.00 C ATOM 442 CG GLN A 29 -15.766 33.446 -30.591 1.00 0.00 C ATOM 443 CD GLN A 29 -17.152 32.950 -30.981 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.966 33.656 -31.559 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.444 31.708 -30.667 1.00 0.00 N ATOM 0 HA GLN A 29 -13.358 33.031 -29.055 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.366 32.746 -28.650 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.453 34.242 -28.619 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.669 34.500 -30.850 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.010 32.906 -31.162 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.757 31.129 -30.185 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.358 31.323 -30.905 1.00 0.00 H new ATOM 454 N ILE A 30 -13.039 32.461 -26.591 1.00 0.00 N ATOM 455 CA ILE A 30 -12.872 32.465 -25.140 1.00 0.00 C ATOM 456 C ILE A 30 -13.314 33.831 -24.606 1.00 0.00 C ATOM 457 O ILE A 30 -12.630 34.842 -24.786 1.00 0.00 O ATOM 458 CB ILE A 30 -11.422 32.114 -24.747 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.016 30.664 -25.095 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.246 32.260 -23.221 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.162 30.174 -26.540 1.00 0.00 C ATOM 0 H ILE A 30 -12.168 32.615 -27.099 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.497 31.696 -24.686 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.794 32.801 -25.315 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.972 30.538 -24.810 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.602 29.998 -24.462 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.221 32.011 -22.948 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.461 33.287 -22.927 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.932 31.585 -22.709 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.833 29.137 -26.608 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.206 30.244 -26.844 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.551 30.792 -27.197 1.00 0.00 H new ATOM 473 N ALA A 31 -14.452 33.838 -23.921 1.00 0.00 N ATOM 474 CA ALA A 31 -14.887 34.936 -23.062 1.00 0.00 C ATOM 475 C ALA A 31 -14.529 34.645 -21.597 1.00 0.00 C ATOM 476 O ALA A 31 -14.410 33.486 -21.189 1.00 0.00 O ATOM 477 CB ALA A 31 -16.390 35.157 -23.263 1.00 0.00 C ATOM 0 H ALA A 31 -15.114 33.063 -23.947 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.368 35.856 -23.332 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.726 35.975 -22.626 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.585 35.406 -24.306 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.930 34.247 -23.000 1.00 0.00 H new ATOM 483 N ARG A 32 -14.386 35.697 -20.789 1.00 0.00 N ATOM 484 CA ARG A 32 -14.283 35.601 -19.325 1.00 0.00 C ATOM 485 C ARG A 32 -15.581 36.055 -18.668 1.00 0.00 C ATOM 486 O ARG A 32 -16.280 36.914 -19.208 1.00 0.00 O ATOM 487 CB ARG A 32 -13.058 36.377 -18.796 1.00 0.00 C ATOM 488 CG ARG A 32 -11.949 35.407 -18.381 1.00 0.00 C ATOM 489 CD ARG A 32 -10.699 36.108 -17.843 1.00 0.00 C ATOM 490 NE ARG A 32 -9.845 35.143 -17.121 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.277 35.269 -15.934 1.00 0.00 C ATOM 492 NH1 ARG A 32 -9.380 36.331 -15.184 1.00 0.00 N ATOM 493 NH2 ARG A 32 -8.581 34.278 -15.462 1.00 0.00 N ATOM 0 H ARG A 32 -14.337 36.655 -21.135 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.128 34.556 -19.057 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.688 37.054 -19.566 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.349 36.992 -17.944 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.334 34.731 -17.618 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.672 34.794 -19.239 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.141 36.554 -18.666 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.987 36.920 -17.176 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.670 34.261 -17.603 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.926 37.131 -15.505 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.915 36.362 -14.277 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.480 33.421 -16.006 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.136 34.357 -14.548 1.00 0.00 H new ATOM 507 N TYR A 33 -15.869 35.512 -17.486 1.00 0.00 N ATOM 508 CA TYR A 33 -16.999 35.918 -16.643 1.00 0.00 C ATOM 509 C TYR A 33 -16.598 35.989 -15.163 1.00 0.00 C ATOM 510 O TYR A 33 -15.891 35.111 -14.666 1.00 0.00 O ATOM 511 CB TYR A 33 -18.187 34.975 -16.832 1.00 0.00 C ATOM 512 CG TYR A 33 -18.785 34.928 -18.219 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.189 34.150 -19.226 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.968 35.636 -18.485 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.798 34.057 -20.489 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.574 35.553 -19.747 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.012 34.729 -20.739 1.00 0.00 C ATOM 518 OH TYR A 33 -20.678 34.553 -21.903 1.00 0.00 O ATOM 0 H TYR A 33 -15.313 34.761 -17.077 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.299 36.918 -16.957 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.872 33.968 -16.560 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.970 35.264 -16.131 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.266 33.625 -19.030 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.413 36.247 -17.714 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.336 33.470 -21.269 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.469 36.120 -19.957 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.340 35.267 -22.012 1.00 0.00 H new ATOM 528 N ARG A 34 -17.056 37.036 -14.460 1.00 0.00 N ATOM 529 CA ARG A 34 -16.791 37.300 -13.035 1.00 0.00 C ATOM 530 C ARG A 34 -18.011 36.983 -12.178 1.00 0.00 C ATOM 531 O ARG A 34 -19.088 37.526 -12.418 1.00 0.00 O ATOM 532 CB ARG A 34 -16.328 38.757 -12.845 1.00 0.00 C ATOM 533 CG ARG A 34 -15.951 39.060 -11.387 1.00 0.00 C ATOM 534 CD ARG A 34 -14.942 40.209 -11.285 1.00 0.00 C ATOM 535 NE ARG A 34 -15.464 41.480 -11.824 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.842 42.323 -12.632 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.680 42.079 -13.172 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.398 43.463 -12.928 1.00 0.00 N ATOM 0 H ARG A 34 -17.645 37.752 -14.885 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.989 36.641 -12.703 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.470 38.951 -13.488 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.122 39.433 -13.161 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.850 39.315 -10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.531 38.166 -10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.664 40.350 -10.241 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.034 39.937 -11.823 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.410 41.737 -11.542 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.202 41.199 -12.978 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.249 42.768 -13.788 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.309 43.703 -12.537 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.922 44.116 -13.550 1.00 0.00 H new ATOM 552 N THR A 35 -17.836 36.118 -11.186 1.00 0.00 N ATOM 553 CA THR A 35 -18.883 35.686 -10.245 1.00 0.00 C ATOM 554 C THR A 35 -19.149 36.741 -9.173 1.00 0.00 C ATOM 555 O THR A 35 -18.466 37.764 -9.085 1.00 0.00 O ATOM 556 CB THR A 35 -18.531 34.372 -9.543 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.388 34.545 -8.762 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.306 33.218 -10.503 1.00 0.00 C ATOM 0 H THR A 35 -16.934 35.679 -11.002 1.00 0.00 H new ATOM 0 HA THR A 35 -19.776 35.540 -10.852 1.00 0.00 H new ATOM 0 HB THR A 35 -19.390 34.113 -8.924 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.621 34.732 -9.342 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.060 32.318 -9.939 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.212 33.046 -11.084 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.484 33.460 -11.176 1.00 0.00 H new ATOM 566 N ASP A 36 -20.113 36.466 -8.294 1.00 0.00 N ATOM 567 CA ASP A 36 -20.507 37.397 -7.242 1.00 0.00 C ATOM 568 C ASP A 36 -19.474 37.531 -6.107 1.00 0.00 C ATOM 569 O ASP A 36 -19.505 38.528 -5.381 1.00 0.00 O ATOM 570 CB ASP A 36 -21.899 37.002 -6.726 1.00 0.00 C ATOM 571 CG ASP A 36 -22.515 38.069 -5.802 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.814 39.187 -6.285 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.743 37.779 -4.603 1.00 0.00 O ATOM 0 H ASP A 36 -20.640 35.593 -8.293 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.550 38.396 -7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.563 36.835 -7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.828 36.058 -6.187 1.00 0.00 H new ATOM 578 N ASN A 37 -18.509 36.602 -5.984 1.00 0.00 N ATOM 579 CA ASN A 37 -17.388 36.769 -5.043 1.00 0.00 C ATOM 580 C ASN A 37 -16.164 37.473 -5.682 1.00 0.00 C ATOM 581 O ASN A 37 -15.115 37.596 -5.044 1.00 0.00 O ATOM 582 CB ASN A 37 -16.991 35.441 -4.386 1.00 0.00 C ATOM 583 CG ASN A 37 -18.116 34.485 -4.040 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.187 34.846 -3.570 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.875 33.214 -4.246 1.00 0.00 N ATOM 0 H ASN A 37 -18.483 35.735 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.751 37.431 -4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.300 34.925 -5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.443 35.665 -3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.582 32.517 -4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.980 32.922 -4.638 1.00 0.00 H new ATOM 592 N GLY A 38 -16.265 37.888 -6.952 1.00 0.00 N ATOM 593 CA GLY A 38 -15.146 38.365 -7.778 1.00 0.00 C ATOM 594 C GLY A 38 -14.337 37.261 -8.459 1.00 0.00 C ATOM 595 O GLY A 38 -13.318 37.555 -9.084 1.00 0.00 O ATOM 0 H GLY A 38 -17.156 37.902 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.537 39.035 -8.544 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.476 38.954 -7.152 1.00 0.00 H new ATOM 599 N GLU A 39 -14.756 36.000 -8.342 1.00 0.00 N ATOM 600 CA GLU A 39 -14.025 34.861 -8.913 1.00 0.00 C ATOM 601 C GLU A 39 -14.221 34.859 -10.434 1.00 0.00 C ATOM 602 O GLU A 39 -15.354 34.773 -10.906 1.00 0.00 O ATOM 603 CB GLU A 39 -14.472 33.516 -8.300 1.00 0.00 C ATOM 604 CG GLU A 39 -14.821 33.599 -6.807 1.00 0.00 C ATOM 605 CD GLU A 39 -14.583 32.325 -5.978 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.595 31.584 -6.205 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.383 32.102 -5.036 1.00 0.00 O ATOM 0 H GLU A 39 -15.610 35.737 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.967 34.973 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.341 33.150 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.677 32.783 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.240 34.408 -6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.872 33.875 -6.716 1.00 0.00 H new ATOM 614 N GLU A 40 -13.143 34.960 -11.207 1.00 0.00 N ATOM 615 CA GLU A 40 -13.203 34.998 -12.676 1.00 0.00 C ATOM 616 C GLU A 40 -12.822 33.655 -13.310 1.00 0.00 C ATOM 617 O GLU A 40 -11.789 33.059 -12.987 1.00 0.00 O ATOM 618 CB GLU A 40 -12.292 36.092 -13.251 1.00 0.00 C ATOM 619 CG GLU A 40 -12.964 37.464 -13.228 1.00 0.00 C ATOM 620 CD GLU A 40 -12.091 38.568 -13.861 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.341 38.289 -14.830 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.176 39.730 -13.398 1.00 0.00 O ATOM 0 H GLU A 40 -12.195 35.018 -10.835 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.241 35.221 -12.924 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.366 36.132 -12.677 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.021 35.837 -14.276 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.913 37.408 -13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.193 37.734 -12.197 1.00 0.00 H new ATOM 629 N PHE A 41 -13.655 33.216 -14.255 1.00 0.00 N ATOM 630 CA PHE A 41 -13.501 31.977 -15.022 1.00 0.00 C ATOM 631 C PHE A 41 -13.642 32.216 -16.529 1.00 0.00 C ATOM 632 O PHE A 41 -14.222 33.211 -16.965 1.00 0.00 O ATOM 633 CB PHE A 41 -14.539 30.954 -14.552 1.00 0.00 C ATOM 634 CG PHE A 41 -14.369 30.528 -13.105 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.971 31.251 -12.055 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.563 29.415 -12.802 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.766 30.850 -10.729 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.344 29.027 -11.470 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.946 29.750 -10.429 1.00 0.00 C ATOM 0 H PHE A 41 -14.492 33.736 -14.519 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.496 31.594 -14.846 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.536 31.376 -14.682 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.481 30.072 -15.190 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.588 32.111 -12.272 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.107 28.852 -13.603 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.244 31.393 -9.927 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.716 28.177 -11.248 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.780 29.462 -9.402 1.00 0.00 H new ATOM 649 N GLU A 42 -13.144 31.276 -17.331 1.00 0.00 N ATOM 650 CA GLU A 42 -13.118 31.355 -18.792 1.00 0.00 C ATOM 651 C GLU A 42 -14.097 30.355 -19.413 1.00 0.00 C ATOM 652 O GLU A 42 -14.115 29.175 -19.044 1.00 0.00 O ATOM 653 CB GLU A 42 -11.701 31.115 -19.347 1.00 0.00 C ATOM 654 CG GLU A 42 -10.589 31.900 -18.631 1.00 0.00 C ATOM 655 CD GLU A 42 -9.927 31.200 -17.427 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.205 30.009 -17.141 1.00 0.00 O ATOM 657 OE2 GLU A 42 -9.114 31.878 -16.752 1.00 0.00 O ATOM 0 H GLU A 42 -12.735 30.413 -16.972 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.425 32.365 -19.064 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.475 30.051 -19.282 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.690 31.379 -20.405 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.813 32.136 -19.359 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.004 32.848 -18.290 1.00 0.00 H new ATOM 664 N VAL A 43 -14.888 30.816 -20.379 1.00 0.00 N ATOM 665 CA VAL A 43 -15.862 29.998 -21.115 1.00 0.00 C ATOM 666 C VAL A 43 -15.533 30.037 -22.616 1.00 0.00 C ATOM 667 O VAL A 43 -15.708 31.081 -23.252 1.00 0.00 O ATOM 668 CB VAL A 43 -17.307 30.455 -20.843 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.306 29.481 -21.477 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.619 30.566 -19.344 1.00 0.00 C ATOM 0 H VAL A 43 -14.873 31.790 -20.682 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.790 28.968 -20.765 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.403 31.446 -21.288 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.322 29.819 -21.275 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.144 29.443 -22.554 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.164 28.487 -21.053 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.651 30.892 -19.210 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.481 29.594 -18.871 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.947 31.291 -18.885 1.00 0.00 H new ATOM 680 N PRO A 44 -15.051 28.925 -23.204 1.00 0.00 N ATOM 681 CA PRO A 44 -14.840 28.809 -24.644 1.00 0.00 C ATOM 682 C PRO A 44 -16.164 28.520 -25.378 1.00 0.00 C ATOM 683 O PRO A 44 -16.792 27.478 -25.176 1.00 0.00 O ATOM 684 CB PRO A 44 -13.812 27.683 -24.810 1.00 0.00 C ATOM 685 CG PRO A 44 -14.036 26.790 -23.589 1.00 0.00 C ATOM 686 CD PRO A 44 -14.544 27.748 -22.509 1.00 0.00 C ATOM 0 HA PRO A 44 -14.473 29.735 -25.086 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.968 27.135 -25.739 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.795 28.073 -24.837 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.763 26.005 -23.798 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.114 26.297 -23.282 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.329 27.281 -21.914 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.742 28.019 -21.822 1.00 0.00 H new ATOM 694 N PHE A 45 -16.568 29.430 -26.266 1.00 0.00 N ATOM 695 CA PHE A 45 -17.729 29.306 -27.160 1.00 0.00 C ATOM 696 C PHE A 45 -17.300 28.925 -28.576 1.00 0.00 C ATOM 697 O PHE A 45 -16.335 29.475 -29.094 1.00 0.00 O ATOM 698 CB PHE A 45 -18.488 30.635 -27.207 1.00 0.00 C ATOM 699 CG PHE A 45 -19.314 30.907 -25.968 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.709 31.493 -24.842 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.681 30.574 -25.937 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.477 31.762 -23.699 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.443 30.830 -24.782 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.838 31.424 -23.661 1.00 0.00 C ATOM 0 H PHE A 45 -16.075 30.314 -26.390 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.373 28.518 -26.768 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.773 31.447 -27.342 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.143 30.639 -28.078 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.657 31.735 -24.857 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.146 30.122 -26.801 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.017 32.233 -22.843 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.491 30.570 -24.757 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.420 31.620 -22.772 1.00 0.00 H new ATOM 714 N ALA A 46 -18.053 28.068 -29.254 1.00 0.00 N ATOM 715 CA ALA A 46 -17.810 27.717 -30.656 1.00 0.00 C ATOM 716 C ALA A 46 -18.360 28.801 -31.600 1.00 0.00 C ATOM 717 O ALA A 46 -19.256 29.555 -31.226 1.00 0.00 O ATOM 718 CB ALA A 46 -18.426 26.340 -30.935 1.00 0.00 C ATOM 0 H ALA A 46 -18.857 27.591 -28.847 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.738 27.663 -30.843 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.252 26.068 -31.976 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.966 25.597 -30.283 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.499 26.376 -30.744 1.00 0.00 H new ATOM 724 N ASP A 47 -17.864 28.868 -32.836 1.00 0.00 N ATOM 725 CA ASP A 47 -18.299 29.830 -33.868 1.00 0.00 C ATOM 726 C ASP A 47 -19.802 29.728 -34.221 1.00 0.00 C ATOM 727 O ASP A 47 -20.399 30.679 -34.727 1.00 0.00 O ATOM 728 CB ASP A 47 -17.416 29.629 -35.107 1.00 0.00 C ATOM 729 CG ASP A 47 -17.721 30.634 -36.232 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.390 31.835 -36.079 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.250 30.218 -37.292 1.00 0.00 O ATOM 0 H ASP A 47 -17.129 28.241 -33.163 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.179 30.837 -33.469 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.369 29.721 -34.819 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.555 28.616 -35.485 1.00 0.00 H new ATOM 736 N ASP A 48 -20.437 28.590 -33.912 1.00 0.00 N ATOM 737 CA ASP A 48 -21.889 28.379 -34.026 1.00 0.00 C ATOM 738 C ASP A 48 -22.707 29.137 -32.949 1.00 0.00 C ATOM 739 O ASP A 48 -23.930 29.263 -33.065 1.00 0.00 O ATOM 740 CB ASP A 48 -22.146 26.866 -33.952 1.00 0.00 C ATOM 741 CG ASP A 48 -23.599 26.485 -34.291 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.037 26.719 -35.443 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.295 25.902 -33.422 1.00 0.00 O ATOM 0 H ASP A 48 -19.943 27.767 -33.566 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.228 28.788 -34.978 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.472 26.355 -34.640 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.908 26.511 -32.949 1.00 0.00 H new ATOM 748 N ALA A 49 -22.038 29.661 -31.917 1.00 0.00 N ATOM 749 CA ALA A 49 -22.606 30.403 -30.788 1.00 0.00 C ATOM 750 C ALA A 49 -22.014 31.824 -30.651 1.00 0.00 C ATOM 751 O ALA A 49 -20.924 32.116 -31.147 1.00 0.00 O ATOM 752 CB ALA A 49 -22.381 29.580 -29.512 1.00 0.00 C ATOM 0 H ALA A 49 -21.024 29.573 -31.844 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.672 30.546 -30.962 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.796 30.113 -28.657 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.874 28.613 -29.611 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.312 29.428 -29.361 1.00 0.00 H new ATOM 758 N GLU A 50 -22.718 32.704 -29.932 1.00 0.00 N ATOM 759 CA GLU A 50 -22.268 34.062 -29.580 1.00 0.00 C ATOM 760 C GLU A 50 -22.458 34.342 -28.082 1.00 0.00 C ATOM 761 O GLU A 50 -23.465 33.951 -27.491 1.00 0.00 O ATOM 762 CB GLU A 50 -23.008 35.124 -30.412 1.00 0.00 C ATOM 763 CG GLU A 50 -22.509 35.171 -31.859 1.00 0.00 C ATOM 764 CD GLU A 50 -23.312 36.191 -32.689 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.924 37.385 -32.735 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.337 35.811 -33.307 1.00 0.00 O ATOM 0 H GLU A 50 -23.645 32.488 -29.566 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.204 34.120 -29.809 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.077 34.910 -30.404 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.875 36.103 -29.951 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.452 35.437 -31.874 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.596 34.182 -32.309 1.00 0.00 H new ATOM 773 N ILE A 51 -21.483 35.041 -27.494 1.00 0.00 N ATOM 774 CA ILE A 51 -21.321 35.352 -26.066 1.00 0.00 C ATOM 775 C ILE A 51 -22.545 36.098 -25.504 1.00 0.00 C ATOM 776 O ILE A 51 -22.768 37.268 -25.840 1.00 0.00 O ATOM 777 CB ILE A 51 -20.043 36.188 -25.798 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.812 35.751 -26.630 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.700 36.183 -24.296 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.325 34.318 -26.413 1.00 0.00 C ATOM 0 H ILE A 51 -20.723 35.437 -28.047 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.226 34.394 -25.555 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.280 37.201 -26.123 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.051 35.876 -27.686 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.989 36.430 -26.407 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.800 36.775 -24.126 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.528 36.612 -23.732 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.528 35.159 -23.965 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.460 34.128 -27.048 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.045 34.183 -25.368 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.123 33.620 -26.668 1.00 0.00 H new ATOM 792 N PRO A 52 -23.343 35.450 -24.643 1.00 0.00 N ATOM 793 CA PRO A 52 -24.385 36.107 -23.870 1.00 0.00 C ATOM 794 C PRO A 52 -23.772 36.964 -22.750 1.00 0.00 C ATOM 795 O PRO A 52 -22.709 36.643 -22.211 1.00 0.00 O ATOM 796 CB PRO A 52 -25.246 34.965 -23.332 1.00 0.00 C ATOM 797 CG PRO A 52 -24.263 33.806 -23.188 1.00 0.00 C ATOM 798 CD PRO A 52 -23.224 34.052 -24.276 1.00 0.00 C ATOM 0 HA PRO A 52 -24.981 36.801 -24.463 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.702 35.224 -22.377 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.058 34.719 -24.017 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.806 33.793 -22.198 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.759 32.845 -23.323 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.221 33.829 -23.913 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.402 33.407 -25.137 1.00 0.00 H new ATOM 806 N GLY A 53 -24.463 38.048 -22.381 1.00 0.00 N ATOM 807 CA GLY A 53 -24.054 39.014 -21.345 1.00 0.00 C ATOM 808 C GLY A 53 -23.634 38.404 -19.999 1.00 0.00 C ATOM 809 O GLY A 53 -22.777 38.962 -19.310 1.00 0.00 O ATOM 0 H GLY A 53 -25.357 38.289 -22.809 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.223 39.604 -21.731 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.880 39.703 -21.170 1.00 0.00 H new ATOM 813 N THR A 54 -24.196 37.251 -19.623 1.00 0.00 N ATOM 814 CA THR A 54 -23.760 36.467 -18.460 1.00 0.00 C ATOM 815 C THR A 54 -23.777 34.952 -18.736 1.00 0.00 C ATOM 816 O THR A 54 -24.451 34.484 -19.661 1.00 0.00 O ATOM 817 CB THR A 54 -24.668 36.731 -17.238 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.007 36.374 -17.525 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.746 38.197 -16.819 1.00 0.00 C ATOM 0 H THR A 54 -24.978 36.829 -20.124 1.00 0.00 H new ATOM 0 HA THR A 54 -22.738 36.786 -18.254 1.00 0.00 H new ATOM 0 HB THR A 54 -24.216 36.138 -16.443 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.567 36.546 -16.739 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.403 38.294 -15.955 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.750 38.555 -16.559 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.141 38.791 -17.644 1.00 0.00 H new ATOM 827 N TRP A 55 -23.031 34.172 -17.941 1.00 0.00 N ATOM 828 CA TRP A 55 -22.903 32.710 -18.061 1.00 0.00 C ATOM 829 C TRP A 55 -22.473 32.056 -16.734 1.00 0.00 C ATOM 830 O TRP A 55 -21.737 32.650 -15.944 1.00 0.00 O ATOM 831 CB TRP A 55 -21.890 32.376 -19.162 1.00 0.00 C ATOM 832 CG TRP A 55 -21.862 30.945 -19.599 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.054 29.989 -19.098 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.651 30.286 -20.636 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.251 28.803 -19.773 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.239 28.921 -20.727 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.663 30.710 -21.519 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.801 28.027 -21.649 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.244 29.821 -22.444 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.815 28.481 -22.511 1.00 0.00 C ATOM 0 H TRP A 55 -22.481 34.553 -17.171 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.883 32.307 -18.319 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.105 32.999 -20.030 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.895 32.650 -18.811 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.355 30.131 -18.287 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.731 27.945 -19.589 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.000 31.736 -21.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.460 27.003 -21.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.023 30.169 -23.106 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.264 27.804 -23.223 1.00 0.00 H new ATOM 851 N LEU A 56 -22.917 30.823 -16.467 1.00 0.00 N ATOM 852 CA LEU A 56 -22.591 30.089 -15.237 1.00 0.00 C ATOM 853 C LEU A 56 -21.105 29.680 -15.196 1.00 0.00 C ATOM 854 O LEU A 56 -20.601 29.014 -16.104 1.00 0.00 O ATOM 855 CB LEU A 56 -23.528 28.872 -15.105 1.00 0.00 C ATOM 856 CG LEU A 56 -24.163 28.714 -13.713 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.224 27.613 -13.746 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.135 28.338 -12.649 1.00 0.00 C ATOM 0 H LEU A 56 -23.519 30.301 -17.104 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.749 30.745 -14.381 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.322 28.957 -15.847 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.967 27.968 -15.341 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.601 29.678 -13.457 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.669 27.507 -12.757 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.999 27.876 -14.466 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.761 26.670 -14.039 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.631 28.238 -11.683 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.665 27.391 -12.916 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.374 29.116 -12.587 1.00 0.00 H new ATOM 870 N CYS A 57 -20.406 30.063 -14.129 1.00 0.00 N ATOM 871 CA CYS A 57 -18.981 29.791 -13.930 1.00 0.00 C ATOM 872 C CYS A 57 -18.728 28.490 -13.158 1.00 0.00 C ATOM 873 O CYS A 57 -19.612 27.962 -12.477 1.00 0.00 O ATOM 874 CB CYS A 57 -18.351 30.985 -13.211 1.00 0.00 C ATOM 875 SG CYS A 57 -18.273 32.389 -14.344 1.00 0.00 S ATOM 0 H CYS A 57 -20.824 30.584 -13.359 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.519 29.653 -14.907 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.938 31.245 -12.331 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.351 30.728 -12.862 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.740 33.407 -13.737 1.00 0.00 H new ATOM 881 N ARG A 58 -17.478 28.006 -13.198 1.00 0.00 N ATOM 882 CA ARG A 58 -17.066 26.725 -12.587 1.00 0.00 C ATOM 883 C ARG A 58 -17.187 26.705 -11.055 1.00 0.00 C ATOM 884 O ARG A 58 -17.277 25.631 -10.459 1.00 0.00 O ATOM 885 CB ARG A 58 -15.628 26.349 -13.005 1.00 0.00 C ATOM 886 CG ARG A 58 -15.309 26.540 -14.499 1.00 0.00 C ATOM 887 CD ARG A 58 -13.865 26.128 -14.818 1.00 0.00 C ATOM 888 NE ARG A 58 -13.417 26.748 -16.083 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.315 27.449 -16.287 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.360 27.570 -15.410 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.141 28.097 -17.394 1.00 0.00 N ATOM 0 H ARG A 58 -16.712 28.496 -13.660 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.766 25.981 -12.968 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.929 26.947 -12.421 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.451 25.306 -12.743 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.000 25.947 -15.099 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.461 27.583 -14.775 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.206 26.431 -14.004 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.799 25.043 -14.895 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.028 26.620 -16.890 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.438 27.108 -14.504 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.534 28.126 -15.629 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.858 28.070 -18.119 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.287 28.635 -17.541 1.00 0.00 H new ATOM 905 N ASN A 59 -17.244 27.883 -10.424 1.00 0.00 N ATOM 906 CA ASN A 59 -17.508 28.056 -8.989 1.00 0.00 C ATOM 907 C ASN A 59 -18.955 27.660 -8.586 1.00 0.00 C ATOM 908 O ASN A 59 -19.249 27.436 -7.411 1.00 0.00 O ATOM 909 CB ASN A 59 -17.213 29.529 -8.659 1.00 0.00 C ATOM 910 CG ASN A 59 -17.417 29.956 -7.213 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.225 29.208 -6.265 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.751 31.211 -7.002 1.00 0.00 N ATOM 0 H ASN A 59 -17.104 28.768 -10.910 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.868 27.387 -8.414 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.180 29.740 -8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.845 30.153 -9.291 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.850 31.559 -6.048 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.911 31.836 -7.792 1.00 0.00 H new ATOM 919 N GLY A 60 -19.864 27.560 -9.561 1.00 0.00 N ATOM 920 CA GLY A 60 -21.298 27.306 -9.361 1.00 0.00 C ATOM 921 C GLY A 60 -22.135 28.582 -9.197 1.00 0.00 C ATOM 922 O GLY A 60 -23.290 28.505 -8.777 1.00 0.00 O ATOM 0 H GLY A 60 -19.615 27.657 -10.545 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.679 26.739 -10.210 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.427 26.681 -8.477 1.00 0.00 H new ATOM 926 N MET A 61 -21.563 29.750 -9.520 1.00 0.00 N ATOM 927 CA MET A 61 -22.214 31.061 -9.478 1.00 0.00 C ATOM 928 C MET A 61 -22.372 31.647 -10.889 1.00 0.00 C ATOM 929 O MET A 61 -21.528 31.431 -11.761 1.00 0.00 O ATOM 930 CB MET A 61 -21.406 31.975 -8.542 1.00 0.00 C ATOM 931 CG MET A 61 -22.098 33.305 -8.209 1.00 0.00 C ATOM 932 SD MET A 61 -23.775 33.198 -7.520 1.00 0.00 S ATOM 933 CE MET A 61 -23.409 32.516 -5.879 1.00 0.00 C ATOM 0 H MET A 61 -20.593 29.806 -9.830 1.00 0.00 H new ATOM 0 HA MET A 61 -23.226 30.967 -9.083 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.206 31.440 -7.614 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.441 32.186 -9.003 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.472 33.847 -7.500 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.141 33.904 -9.119 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.338 32.388 -5.323 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.915 31.550 -5.988 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.754 33.199 -5.339 1.00 0.00 H new ATOM 943 N GLU A 62 -23.439 32.411 -11.121 1.00 0.00 N ATOM 944 CA GLU A 62 -23.662 33.136 -12.376 1.00 0.00 C ATOM 945 C GLU A 62 -22.624 34.259 -12.535 1.00 0.00 C ATOM 946 O GLU A 62 -22.625 35.243 -11.789 1.00 0.00 O ATOM 947 CB GLU A 62 -25.107 33.652 -12.446 1.00 0.00 C ATOM 948 CG GLU A 62 -25.427 34.252 -13.823 1.00 0.00 C ATOM 949 CD GLU A 62 -26.906 34.678 -13.907 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.769 33.828 -14.233 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.217 35.867 -13.650 1.00 0.00 O ATOM 0 H GLU A 62 -24.183 32.547 -10.436 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.527 32.456 -13.217 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.796 32.834 -12.236 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.262 34.406 -11.675 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.785 35.114 -14.007 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.210 33.521 -14.602 1.00 0.00 H new ATOM 958 N GLY A 63 -21.707 34.084 -13.485 1.00 0.00 N ATOM 959 CA GLY A 63 -20.687 35.064 -13.836 1.00 0.00 C ATOM 960 C GLY A 63 -21.178 36.091 -14.859 1.00 0.00 C ATOM 961 O GLY A 63 -21.978 35.763 -15.735 1.00 0.00 O ATOM 0 H GLY A 63 -21.654 33.233 -14.045 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.363 35.583 -12.934 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.815 34.547 -14.237 1.00 0.00 H new ATOM 965 N THR A 64 -20.656 37.319 -14.807 1.00 0.00 N ATOM 966 CA THR A 64 -20.946 38.380 -15.791 1.00 0.00 C ATOM 967 C THR A 64 -19.745 38.673 -16.688 1.00 0.00 C ATOM 968 O THR A 64 -18.612 38.721 -16.211 1.00 0.00 O ATOM 969 CB THR A 64 -21.420 39.672 -15.106 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.557 39.415 -14.307 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.813 40.772 -16.098 1.00 0.00 C ATOM 0 H THR A 64 -20.011 37.614 -14.074 1.00 0.00 H new ATOM 0 HA THR A 64 -21.754 38.005 -16.420 1.00 0.00 H new ATOM 0 HB THR A 64 -20.573 40.015 -14.512 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.848 40.245 -13.875 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.138 41.657 -15.550 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.954 41.025 -16.720 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.627 40.418 -16.731 1.00 0.00 H new ATOM 979 N LEU A 65 -20.001 38.853 -17.986 1.00 0.00 N ATOM 980 CA LEU A 65 -19.006 38.961 -19.058 1.00 0.00 C ATOM 981 C LEU A 65 -18.052 40.152 -18.835 1.00 0.00 C ATOM 982 O LEU A 65 -18.492 41.303 -18.754 1.00 0.00 O ATOM 983 CB LEU A 65 -19.804 39.059 -20.377 1.00 0.00 C ATOM 984 CG LEU A 65 -19.078 38.928 -21.731 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.073 39.305 -22.834 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.843 39.805 -21.931 1.00 0.00 C ATOM 0 H LEU A 65 -20.956 38.931 -18.336 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.349 38.092 -19.083 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.575 38.289 -20.347 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.315 40.022 -20.375 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.723 37.898 -21.762 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.587 39.222 -23.806 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.929 38.631 -22.797 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.411 40.330 -22.684 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.423 39.622 -22.920 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.124 40.855 -21.845 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.100 39.565 -21.171 1.00 0.00 H new