USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 767 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 65 GLN : amide:sc= 0.914 K(o=1.9,f=-1) USER MOD Set 1.2: A 83 SER OG : rot 149:sc= 1.03 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 42 SER OG : rot 83:sc= 1.28 USER MOD Single : A 46 ASN : amide:sc= -2.25! K(o=-2.3!,f=-0.072) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -130:sc= 0.264 (180deg=-0.351) USER MOD Single : A 59 LYS NZ :NH3+ 154:sc= 0.924 (180deg=0.546) USER MOD Single : A 61 GLN : amide:sc= -2.42! C(o=-2.4!,f=-1.9!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 73 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.017) USER MOD Single : A 75 HIS : no HD1:sc= -0.982 K(o=-0.98,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -1.01 USER MOD Single : A 89 SER OG : rot -91:sc= 0.0374 USER MOD Single : A 95 GLN : amide:sc= -3.1! C(o=-3.1!,f=-9.5!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -4:sc= 0.873 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -2.33 K(o=-2.3,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 507 N TRP A 37 0.584 3.332 8.825 1.00 0.00 N ATOM 508 CA TRP A 37 0.203 4.191 7.717 1.00 0.00 C ATOM 509 C TRP A 37 -1.294 4.130 7.424 1.00 0.00 C ATOM 510 O TRP A 37 -1.834 5.028 6.786 1.00 0.00 O ATOM 511 CB TRP A 37 1.017 3.832 6.458 1.00 0.00 C ATOM 512 CG TRP A 37 1.010 2.377 6.074 1.00 0.00 C ATOM 513 CD1 TRP A 37 0.360 1.343 6.687 1.00 0.00 C ATOM 514 CD2 TRP A 37 1.704 1.802 4.964 1.00 0.00 C ATOM 515 NE1 TRP A 37 0.618 0.166 6.032 1.00 0.00 N ATOM 516 CE2 TRP A 37 1.438 0.424 4.968 1.00 0.00 C ATOM 517 CE3 TRP A 37 2.529 2.326 3.967 1.00 0.00 C ATOM 518 CZ2 TRP A 37 1.968 -0.437 4.015 1.00 0.00 C ATOM 519 CZ3 TRP A 37 3.052 1.471 3.021 1.00 0.00 C ATOM 520 CH2 TRP A 37 2.770 0.106 3.051 1.00 0.00 C ATOM 0 HA TRP A 37 0.429 5.217 8.009 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.632 4.413 5.620 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.050 4.144 6.614 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.267 1.439 7.561 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.258 -0.751 6.295 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.753 3.382 3.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.754 -1.495 4.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.691 1.865 2.244 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.195 -0.537 2.295 1.00 0.00 H new ATOM 531 N ARG A 38 -1.975 3.102 7.928 1.00 0.00 N ATOM 532 CA ARG A 38 -3.362 2.860 7.538 1.00 0.00 C ATOM 533 C ARG A 38 -4.295 3.941 8.069 1.00 0.00 C ATOM 534 O ARG A 38 -5.186 4.395 7.356 1.00 0.00 O ATOM 535 CB ARG A 38 -3.855 1.478 7.980 1.00 0.00 C ATOM 536 CG ARG A 38 -3.800 1.226 9.481 1.00 0.00 C ATOM 537 CD ARG A 38 -4.411 -0.123 9.841 1.00 0.00 C ATOM 538 NE ARG A 38 -3.645 -1.247 9.297 1.00 0.00 N ATOM 539 CZ ARG A 38 -4.106 -2.093 8.372 1.00 0.00 C ATOM 540 NH1 ARG A 38 -5.348 -1.984 7.923 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -3.326 -3.061 7.913 1.00 0.00 N ATOM 0 H ARG A 38 -1.596 2.432 8.597 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.380 2.892 6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.884 1.351 7.643 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.258 0.718 7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.764 1.260 9.819 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.333 2.020 10.005 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.466 -0.216 10.926 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.433 -0.168 9.465 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.698 -1.393 9.647 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.958 -1.251 8.284 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.694 -2.633 7.216 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.374 -3.160 8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.677 -3.707 7.207 1.00 0.00 H new ATOM 555 N SER A 39 -4.081 4.357 9.310 1.00 0.00 N ATOM 556 CA SER A 39 -4.903 5.395 9.915 1.00 0.00 C ATOM 557 C SER A 39 -4.716 6.714 9.183 1.00 0.00 C ATOM 558 O SER A 39 -5.665 7.478 8.993 1.00 0.00 O ATOM 559 CB SER A 39 -4.537 5.548 11.391 1.00 0.00 C ATOM 560 OG SER A 39 -3.131 5.508 11.565 1.00 0.00 O ATOM 0 H SER A 39 -3.346 3.992 9.916 1.00 0.00 H new ATOM 0 HA SER A 39 -5.951 5.107 9.837 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.929 6.491 11.772 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.003 4.751 11.971 1.00 0.00 H new ATOM 0 HG SER A 39 -2.916 5.609 12.516 1.00 0.00 H new ATOM 566 N ARG A 40 -3.492 6.959 8.744 1.00 0.00 N ATOM 567 CA ARG A 40 -3.169 8.165 8.043 1.00 0.00 C ATOM 568 C ARG A 40 -3.730 8.121 6.626 1.00 0.00 C ATOM 569 O ARG A 40 -4.302 9.101 6.145 1.00 0.00 O ATOM 570 CB ARG A 40 -1.660 8.332 8.038 1.00 0.00 C ATOM 571 CG ARG A 40 -1.053 8.339 9.434 1.00 0.00 C ATOM 572 CD ARG A 40 -1.614 9.478 10.273 1.00 0.00 C ATOM 573 NE ARG A 40 -1.235 9.376 11.682 1.00 0.00 N ATOM 574 CZ ARG A 40 -1.587 10.268 12.612 1.00 0.00 C ATOM 575 NH1 ARG A 40 -2.297 11.341 12.277 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 -1.230 10.092 13.878 1.00 0.00 N ATOM 0 H ARG A 40 -2.705 6.322 8.869 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.620 9.023 8.542 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.213 7.524 7.459 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.406 9.264 7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.255 7.388 9.926 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.030 8.436 9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.260 10.428 9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.701 9.483 10.192 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.669 8.578 11.971 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.575 11.486 11.306 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.563 12.019 12.991 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.684 9.273 14.145 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.501 10.776 14.584 1.00 0.00 H new ATOM 590 N ILE A 41 -3.579 6.971 5.967 1.00 0.00 N ATOM 591 CA ILE A 41 -4.169 6.760 4.649 1.00 0.00 C ATOM 592 C ILE A 41 -5.676 6.982 4.726 1.00 0.00 C ATOM 593 O ILE A 41 -6.267 7.645 3.872 1.00 0.00 O ATOM 594 CB ILE A 41 -3.893 5.332 4.114 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.404 5.151 3.810 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.731 5.044 2.871 1.00 0.00 C ATOM 597 CD1 ILE A 41 -2.034 3.751 3.367 1.00 0.00 C ATOM 0 H ILE A 41 -3.053 6.174 6.326 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.711 7.472 3.963 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.178 4.620 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.114 5.856 3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.828 5.404 4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.519 4.036 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.789 5.126 3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.484 5.764 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.963 3.703 3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.291 3.041 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.581 3.500 2.458 1.00 0.00 H new ATOM 609 N SER A 42 -6.282 6.442 5.781 1.00 0.00 N ATOM 610 CA SER A 42 -7.713 6.587 6.009 1.00 0.00 C ATOM 611 C SER A 42 -8.122 8.057 6.156 1.00 0.00 C ATOM 612 O SER A 42 -9.241 8.426 5.803 1.00 0.00 O ATOM 613 CB SER A 42 -8.134 5.800 7.254 1.00 0.00 C ATOM 614 OG SER A 42 -7.845 4.419 7.109 1.00 0.00 O ATOM 0 H SER A 42 -5.798 5.897 6.494 1.00 0.00 H new ATOM 0 HA SER A 42 -8.226 6.185 5.135 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.616 6.193 8.129 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.201 5.935 7.429 1.00 0.00 H new ATOM 0 HG SER A 42 -6.906 4.256 7.338 1.00 0.00 H new ATOM 620 N GLY A 43 -7.226 8.892 6.676 1.00 0.00 N ATOM 621 CA GLY A 43 -7.560 10.295 6.871 1.00 0.00 C ATOM 622 C GLY A 43 -7.771 11.024 5.557 1.00 0.00 C ATOM 623 O GLY A 43 -8.811 11.648 5.340 1.00 0.00 O ATOM 0 H GLY A 43 -6.284 8.627 6.964 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.464 10.371 7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.761 10.782 7.430 1.00 0.00 H new ATOM 627 N ARG A 44 -6.800 10.918 4.665 1.00 0.00 N ATOM 628 CA ARG A 44 -6.923 11.480 3.335 1.00 0.00 C ATOM 629 C ARG A 44 -7.946 10.722 2.488 1.00 0.00 C ATOM 630 O ARG A 44 -8.514 11.277 1.560 1.00 0.00 O ATOM 631 CB ARG A 44 -5.574 11.577 2.640 1.00 0.00 C ATOM 632 CG ARG A 44 -4.674 10.385 2.845 1.00 0.00 C ATOM 633 CD ARG A 44 -3.487 10.742 3.716 1.00 0.00 C ATOM 634 NE ARG A 44 -2.576 11.688 3.063 1.00 0.00 N ATOM 635 CZ ARG A 44 -2.069 12.765 3.665 1.00 0.00 C ATOM 636 NH1 ARG A 44 -2.477 13.101 4.880 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -1.162 13.508 3.046 1.00 0.00 N ATOM 0 H ARG A 44 -5.914 10.445 4.842 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.299 12.497 3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.740 11.711 1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.060 12.469 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.238 9.575 3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.324 10.019 1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.843 11.173 4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.941 9.834 3.971 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.315 11.512 2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.180 12.536 5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.088 13.925 5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.851 13.256 2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.776 14.331 3.508 1.00 0.00 H new ATOM 651 N LEU A 45 -8.138 9.438 2.757 1.00 0.00 N ATOM 652 CA LEU A 45 -9.205 8.685 2.098 1.00 0.00 C ATOM 653 C LEU A 45 -10.542 9.415 2.298 1.00 0.00 C ATOM 654 O LEU A 45 -11.389 9.456 1.412 1.00 0.00 O ATOM 655 CB LEU A 45 -9.261 7.259 2.669 1.00 0.00 C ATOM 656 CG LEU A 45 -9.771 6.169 1.715 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.395 4.793 2.240 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.280 6.252 1.524 1.00 0.00 C ATOM 0 H LEU A 45 -7.579 8.898 3.418 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.006 8.615 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.260 6.983 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.899 7.268 3.552 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.298 6.331 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.762 4.029 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.311 4.718 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.842 4.644 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.604 5.465 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.776 6.126 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.541 7.224 1.106 1.00 0.00 H new ATOM 670 N ASN A 46 -10.687 10.031 3.467 1.00 0.00 N ATOM 671 CA ASN A 46 -11.874 10.817 3.810 1.00 0.00 C ATOM 672 C ASN A 46 -11.881 12.112 3.024 1.00 0.00 C ATOM 673 O ASN A 46 -12.935 12.614 2.636 1.00 0.00 O ATOM 674 CB ASN A 46 -11.925 11.111 5.315 1.00 0.00 C ATOM 675 CG ASN A 46 -13.058 12.052 5.692 1.00 0.00 C ATOM 676 OD1 ASN A 46 -12.877 13.268 5.750 1.00 0.00 O ATOM 677 ND2 ASN A 46 -14.234 11.499 5.949 1.00 0.00 N ATOM 0 H ASN A 46 -9.985 10.001 4.207 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.758 10.234 3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.040 10.174 5.860 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.977 11.548 5.628 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -15.028 12.085 6.205 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.345 10.487 5.890 1.00 0.00 H new ATOM 684 N ARG A 47 -10.682 12.640 2.791 1.00 0.00 N ATOM 685 CA ARG A 47 -10.495 13.798 1.944 1.00 0.00 C ATOM 686 C ARG A 47 -11.153 13.572 0.587 1.00 0.00 C ATOM 687 O ARG A 47 -11.582 14.524 -0.068 1.00 0.00 O ATOM 688 CB ARG A 47 -8.994 14.077 1.794 1.00 0.00 C ATOM 689 CG ARG A 47 -8.482 14.087 0.356 1.00 0.00 C ATOM 690 CD ARG A 47 -6.963 14.170 0.303 1.00 0.00 C ATOM 691 NE ARG A 47 -6.470 14.283 -1.070 1.00 0.00 N ATOM 692 CZ ARG A 47 -5.179 14.297 -1.408 1.00 0.00 C ATOM 693 NH1 ARG A 47 -4.239 14.267 -0.469 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -4.828 14.364 -2.689 1.00 0.00 N ATOM 0 H ARG A 47 -9.817 12.272 3.188 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.969 14.667 2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.771 15.042 2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.441 13.324 2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.816 13.184 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.912 14.934 -0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.626 15.030 0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.534 13.284 0.771 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.159 14.356 -1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.503 14.233 0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.254 14.278 -0.733 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.545 14.405 -3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.841 14.375 -2.948 1.00 0.00 H new ATOM 708 N PHE A 48 -11.243 12.311 0.173 1.00 0.00 N ATOM 709 CA PHE A 48 -11.943 11.991 -1.049 1.00 0.00 C ATOM 710 C PHE A 48 -13.387 11.586 -0.761 1.00 0.00 C ATOM 711 O PHE A 48 -14.316 12.247 -1.220 1.00 0.00 O ATOM 712 CB PHE A 48 -11.241 10.869 -1.813 1.00 0.00 C ATOM 713 CG PHE A 48 -9.885 11.233 -2.350 1.00 0.00 C ATOM 714 CD1 PHE A 48 -9.765 11.937 -3.538 1.00 0.00 C ATOM 715 CD2 PHE A 48 -8.733 10.862 -1.677 1.00 0.00 C ATOM 716 CE1 PHE A 48 -8.521 12.264 -4.042 1.00 0.00 C ATOM 717 CE2 PHE A 48 -7.486 11.188 -2.175 1.00 0.00 C ATOM 718 CZ PHE A 48 -7.381 11.889 -3.360 1.00 0.00 C ATOM 0 H PHE A 48 -10.844 11.511 0.663 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.941 12.889 -1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -11.137 10.007 -1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.876 10.560 -2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.654 12.233 -4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.810 10.311 -0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.440 12.813 -4.969 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.596 10.895 -1.639 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.408 12.144 -3.753 1.00 0.00 H new ATOM 728 N LYS A 49 -13.544 10.529 0.040 1.00 0.00 N ATOM 729 CA LYS A 49 -14.847 9.981 0.444 1.00 0.00 C ATOM 730 C LYS A 49 -14.618 8.808 1.391 1.00 0.00 C ATOM 731 O LYS A 49 -14.066 7.787 0.988 1.00 0.00 O ATOM 732 CB LYS A 49 -15.680 9.482 -0.755 1.00 0.00 C ATOM 733 CG LYS A 49 -16.570 10.534 -1.406 1.00 0.00 C ATOM 734 CD LYS A 49 -17.539 11.166 -0.414 1.00 0.00 C ATOM 735 CE LYS A 49 -18.479 10.143 0.207 1.00 0.00 C ATOM 736 NZ LYS A 49 -19.462 10.785 1.121 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.755 10.018 0.435 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.402 10.786 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.001 9.086 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.306 8.654 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.946 11.312 -1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.133 10.077 -2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.975 11.664 0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.124 11.934 -0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.009 9.610 -0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.899 9.403 0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.086 10.058 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.956 11.273 1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.032 11.473 0.589 1.00 0.00 H new ATOM 750 N ARG A 50 -15.028 8.939 2.642 1.00 0.00 N ATOM 751 CA ARG A 50 -14.811 7.869 3.607 1.00 0.00 C ATOM 752 C ARG A 50 -16.095 7.519 4.340 1.00 0.00 C ATOM 753 O ARG A 50 -16.548 8.257 5.215 1.00 0.00 O ATOM 754 CB ARG A 50 -13.735 8.269 4.613 1.00 0.00 C ATOM 755 CG ARG A 50 -13.164 7.102 5.398 1.00 0.00 C ATOM 756 CD ARG A 50 -12.055 7.556 6.331 1.00 0.00 C ATOM 757 NE ARG A 50 -12.565 8.200 7.546 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.785 8.607 8.552 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.465 8.540 8.428 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -12.318 9.116 9.657 1.00 0.00 N ATOM 0 H ARG A 50 -15.506 9.761 3.011 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.479 6.989 3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.924 8.770 4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.155 8.993 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.957 6.627 5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.778 6.351 4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.445 6.696 6.609 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.403 8.252 5.802 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.571 8.345 7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.051 8.179 7.568 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.865 8.849 9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.331 9.199 9.743 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.714 9.424 10.419 1.00 0.00 H new ATOM 774 N TYR A 51 -16.675 6.390 3.977 1.00 0.00 N ATOM 775 CA TYR A 51 -17.881 5.908 4.622 1.00 0.00 C ATOM 776 C TYR A 51 -17.514 5.011 5.805 1.00 0.00 C ATOM 777 O TYR A 51 -16.612 4.175 5.697 1.00 0.00 O ATOM 778 CB TYR A 51 -18.729 5.140 3.607 1.00 0.00 C ATOM 779 CG TYR A 51 -20.212 5.249 3.861 1.00 0.00 C ATOM 780 CD1 TYR A 51 -20.835 6.489 3.857 1.00 0.00 C ATOM 781 CD2 TYR A 51 -20.987 4.127 4.106 1.00 0.00 C ATOM 782 CE1 TYR A 51 -22.187 6.608 4.092 1.00 0.00 C ATOM 783 CE2 TYR A 51 -22.343 4.239 4.339 1.00 0.00 C ATOM 784 CZ TYR A 51 -22.938 5.482 4.334 1.00 0.00 C ATOM 785 OH TYR A 51 -24.291 5.596 4.578 1.00 0.00 O ATOM 0 H TYR A 51 -16.326 5.786 3.233 1.00 0.00 H new ATOM 0 HA TYR A 51 -18.459 6.753 4.996 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.511 5.513 2.606 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -18.441 4.089 3.625 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -20.250 7.376 3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.524 3.151 4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -22.655 7.581 4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -22.936 3.355 4.525 1.00 0.00 H new ATOM 0 HH TYR A 51 -24.672 4.706 4.728 1.00 0.00 H new ATOM 795 N PRO A 52 -18.181 5.202 6.960 1.00 0.00 N ATOM 796 CA PRO A 52 -17.922 4.421 8.184 1.00 0.00 C ATOM 797 C PRO A 52 -18.163 2.925 7.987 1.00 0.00 C ATOM 798 O PRO A 52 -19.209 2.521 7.477 1.00 0.00 O ATOM 799 CB PRO A 52 -18.928 4.989 9.191 1.00 0.00 C ATOM 800 CG PRO A 52 -19.282 6.336 8.664 1.00 0.00 C ATOM 801 CD PRO A 52 -19.233 6.209 7.171 1.00 0.00 C ATOM 0 HA PRO A 52 -16.882 4.504 8.501 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.809 4.352 9.271 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -18.493 5.057 10.188 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -20.273 6.640 8.999 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.580 7.092 9.017 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -20.190 5.885 6.762 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -18.986 7.157 6.693 1.00 0.00 H new ATOM 809 N LYS A 53 -17.201 2.110 8.438 1.00 0.00 N ATOM 810 CA LYS A 53 -17.186 0.667 8.160 1.00 0.00 C ATOM 811 C LYS A 53 -18.432 -0.033 8.680 1.00 0.00 C ATOM 812 O LYS A 53 -18.835 -1.065 8.144 1.00 0.00 O ATOM 813 CB LYS A 53 -15.947 0.002 8.773 1.00 0.00 C ATOM 814 CG LYS A 53 -14.615 0.489 8.209 1.00 0.00 C ATOM 815 CD LYS A 53 -14.500 0.271 6.703 1.00 0.00 C ATOM 816 CE LYS A 53 -15.072 1.443 5.918 1.00 0.00 C ATOM 817 NZ LYS A 53 -14.343 2.703 6.210 1.00 0.00 N1+ ATOM 0 H LYS A 53 -16.414 2.430 9.003 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.161 0.564 7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.955 0.174 9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.018 -1.075 8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.498 1.550 8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.800 -0.032 8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.453 0.130 6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.026 -0.643 6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.017 1.229 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.127 1.567 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.025 3.453 6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.703 2.555 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.790 2.985 5.376 1.00 0.00 H new ATOM 831 N ASP A 54 -19.031 0.526 9.723 1.00 0.00 N ATOM 832 CA ASP A 54 -20.239 -0.041 10.311 1.00 0.00 C ATOM 833 C ASP A 54 -21.333 -0.181 9.263 1.00 0.00 C ATOM 834 O ASP A 54 -22.029 -1.194 9.209 1.00 0.00 O ATOM 835 CB ASP A 54 -20.725 0.835 11.466 1.00 0.00 C ATOM 836 CG ASP A 54 -22.039 0.355 12.051 1.00 0.00 C ATOM 837 OD1 ASP A 54 -22.051 -0.707 12.707 1.00 0.00 O ATOM 838 OD2 ASP A 54 -23.059 1.051 11.871 1.00 0.00 O1- ATOM 0 H ASP A 54 -18.699 1.375 10.181 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.001 -1.033 10.695 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -19.967 0.850 12.249 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -20.841 1.860 11.115 1.00 0.00 H new ATOM 843 N ALA A 55 -21.450 0.827 8.409 1.00 0.00 N ATOM 844 CA ALA A 55 -22.459 0.829 7.366 1.00 0.00 C ATOM 845 C ALA A 55 -22.097 -0.123 6.236 1.00 0.00 C ATOM 846 O ALA A 55 -22.976 -0.693 5.593 1.00 0.00 O ATOM 847 CB ALA A 55 -22.659 2.233 6.838 1.00 0.00 C ATOM 0 H ALA A 55 -20.855 1.655 8.421 1.00 0.00 H new ATOM 0 HA ALA A 55 -23.394 0.478 7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -23.418 2.223 6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -22.983 2.884 7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.720 2.605 6.427 1.00 0.00 H new ATOM 853 N LEU A 56 -20.804 -0.296 5.997 1.00 0.00 N ATOM 854 CA LEU A 56 -20.336 -1.209 4.960 1.00 0.00 C ATOM 855 C LEU A 56 -20.688 -2.641 5.324 1.00 0.00 C ATOM 856 O LEU A 56 -21.086 -3.428 4.471 1.00 0.00 O ATOM 857 CB LEU A 56 -18.822 -1.080 4.744 1.00 0.00 C ATOM 858 CG LEU A 56 -18.357 0.170 3.990 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.080 0.304 2.666 1.00 0.00 C ATOM 860 CD2 LEU A 56 -18.561 1.422 4.816 1.00 0.00 C ATOM 0 H LEU A 56 -20.061 0.183 6.506 1.00 0.00 H new ATOM 0 HA LEU A 56 -20.835 -0.941 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.333 -1.096 5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -18.476 -1.959 4.199 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.290 0.054 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.732 1.199 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.876 -0.572 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.153 0.381 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.221 2.290 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -19.619 1.534 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -17.990 1.345 5.741 1.00 0.00 H new ATOM 872 N ARG A 57 -20.573 -2.959 6.605 1.00 0.00 N ATOM 873 CA ARG A 57 -20.913 -4.293 7.100 1.00 0.00 C ATOM 874 C ARG A 57 -22.390 -4.620 6.865 1.00 0.00 C ATOM 875 O ARG A 57 -22.791 -5.783 6.916 1.00 0.00 O ATOM 876 CB ARG A 57 -20.590 -4.409 8.591 1.00 0.00 C ATOM 877 CG ARG A 57 -19.121 -4.199 8.914 1.00 0.00 C ATOM 878 CD ARG A 57 -18.839 -4.407 10.394 1.00 0.00 C ATOM 879 NE ARG A 57 -19.618 -3.500 11.239 1.00 0.00 N ATOM 880 CZ ARG A 57 -19.392 -3.318 12.540 1.00 0.00 C ATOM 881 NH1 ARG A 57 -18.405 -3.971 13.143 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -20.150 -2.481 13.239 1.00 0.00 N ATOM 0 H ARG A 57 -20.247 -2.314 7.324 1.00 0.00 H new ATOM 0 HA ARG A 57 -20.311 -5.011 6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -21.182 -3.677 9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -20.894 -5.394 8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -18.516 -4.890 8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -18.824 -3.191 8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -19.067 -5.438 10.664 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -17.777 -4.255 10.584 1.00 0.00 H new ATOM 0 HE ARG A 57 -20.379 -2.976 10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.818 -4.613 12.610 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.234 -3.830 14.139 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -20.908 -1.975 12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -19.974 -2.344 14.234 1.00 0.00 H new ATOM 896 N LEU A 58 -23.194 -3.594 6.608 1.00 0.00 N ATOM 897 CA LEU A 58 -24.619 -3.783 6.377 1.00 0.00 C ATOM 898 C LEU A 58 -24.988 -3.473 4.926 1.00 0.00 C ATOM 899 O LEU A 58 -26.149 -3.595 4.528 1.00 0.00 O ATOM 900 CB LEU A 58 -25.429 -2.889 7.322 1.00 0.00 C ATOM 901 CG LEU A 58 -25.184 -3.120 8.817 1.00 0.00 C ATOM 902 CD1 LEU A 58 -25.962 -2.112 9.645 1.00 0.00 C ATOM 903 CD2 LEU A 58 -25.567 -4.541 9.211 1.00 0.00 C ATOM 0 H LEU A 58 -22.882 -2.624 6.555 1.00 0.00 H new ATOM 0 HA LEU A 58 -24.857 -4.828 6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -25.204 -1.848 7.091 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -26.489 -3.039 7.117 1.00 0.00 H new ATOM 0 HG LEU A 58 -24.121 -2.984 9.015 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -25.776 -2.291 10.704 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -25.641 -1.103 9.385 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -27.027 -2.218 9.440 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -25.386 -4.685 10.276 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -26.623 -4.706 8.997 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -24.967 -5.251 8.642 1.00 0.00 H new ATOM 915 N LYS A 59 -24.000 -3.081 4.132 1.00 0.00 N ATOM 916 CA LYS A 59 -24.249 -2.679 2.753 1.00 0.00 C ATOM 917 C LYS A 59 -23.329 -3.424 1.791 1.00 0.00 C ATOM 918 O LYS A 59 -23.777 -4.294 1.042 1.00 0.00 O ATOM 919 CB LYS A 59 -24.094 -1.158 2.610 1.00 0.00 C ATOM 920 CG LYS A 59 -24.278 -0.639 1.189 1.00 0.00 C ATOM 921 CD LYS A 59 -24.632 0.843 1.176 1.00 0.00 C ATOM 922 CE LYS A 59 -23.520 1.718 1.739 1.00 0.00 C ATOM 923 NZ LYS A 59 -22.440 1.973 0.747 1.00 0.00 N1+ ATOM 0 H LYS A 59 -23.022 -3.033 4.417 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.274 -2.944 2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -24.819 -0.668 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.104 -0.871 2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.362 -0.800 0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.065 -1.206 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -24.849 1.152 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -25.541 1.000 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.940 2.669 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.094 1.237 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.964 2.869 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -21.749 1.196 0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -22.851 2.033 -0.206 1.00 0.00 H new ATOM 937 N ARG A 60 -22.044 -3.096 1.823 1.00 0.00 N ATOM 938 CA ARG A 60 -21.067 -3.741 0.960 1.00 0.00 C ATOM 939 C ARG A 60 -19.809 -4.066 1.747 1.00 0.00 C ATOM 940 O ARG A 60 -18.986 -3.196 2.024 1.00 0.00 O ATOM 941 CB ARG A 60 -20.728 -2.861 -0.248 1.00 0.00 C ATOM 942 CG ARG A 60 -21.893 -2.664 -1.209 1.00 0.00 C ATOM 943 CD ARG A 60 -22.391 -3.989 -1.760 1.00 0.00 C ATOM 944 NE ARG A 60 -23.450 -3.812 -2.750 1.00 0.00 N ATOM 945 CZ ARG A 60 -24.624 -4.440 -2.712 1.00 0.00 C ATOM 946 NH1 ARG A 60 -24.941 -5.222 -1.683 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -25.496 -4.264 -3.697 1.00 0.00 N ATOM 0 H ARG A 60 -21.654 -2.384 2.441 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.503 -4.668 0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.392 -1.886 0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -19.894 -3.308 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.707 -2.153 -0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.582 -2.020 -2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -21.559 -4.528 -2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -22.761 -4.605 -0.941 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.280 -3.166 -3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -24.282 -5.345 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -25.843 -5.699 -1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -25.266 -3.650 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -26.396 -4.743 -3.673 1.00 0.00 H new ATOM 961 N GLN A 61 -19.686 -5.323 2.122 1.00 0.00 N ATOM 962 CA GLN A 61 -18.553 -5.793 2.898 1.00 0.00 C ATOM 963 C GLN A 61 -17.723 -6.755 2.057 1.00 0.00 C ATOM 964 O GLN A 61 -18.225 -7.315 1.086 1.00 0.00 O ATOM 965 CB GLN A 61 -19.062 -6.486 4.161 1.00 0.00 C ATOM 966 CG GLN A 61 -19.862 -7.747 3.871 1.00 0.00 C ATOM 967 CD GLN A 61 -20.757 -8.160 5.019 1.00 0.00 C ATOM 968 OE1 GLN A 61 -21.790 -8.788 4.810 1.00 0.00 O ATOM 969 NE2 GLN A 61 -20.362 -7.832 6.240 1.00 0.00 N ATOM 0 H GLN A 61 -20.367 -6.048 1.898 1.00 0.00 H new ATOM 0 HA GLN A 61 -17.923 -4.951 3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -18.213 -6.740 4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.684 -5.790 4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.472 -7.586 2.982 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -19.175 -8.562 3.643 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -19.496 -7.309 6.373 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -20.923 -8.102 7.048 1.00 0.00 H new ATOM 978 N GLY A 62 -16.474 -6.970 2.431 1.00 0.00 N ATOM 979 CA GLY A 62 -15.616 -7.810 1.628 1.00 0.00 C ATOM 980 C GLY A 62 -14.150 -7.478 1.769 1.00 0.00 C ATOM 981 O GLY A 62 -13.777 -6.314 1.894 1.00 0.00 O ATOM 0 H GLY A 62 -16.042 -6.582 3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.774 -8.851 1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.903 -7.715 0.581 1.00 0.00 H new ATOM 985 N VAL A 63 -13.319 -8.505 1.754 1.00 0.00 N ATOM 986 CA VAL A 63 -11.885 -8.317 1.828 1.00 0.00 C ATOM 987 C VAL A 63 -11.253 -8.601 0.475 1.00 0.00 C ATOM 988 O VAL A 63 -11.465 -9.662 -0.114 1.00 0.00 O ATOM 989 CB VAL A 63 -11.246 -9.231 2.896 1.00 0.00 C ATOM 990 CG1 VAL A 63 -9.739 -9.014 2.966 1.00 0.00 C ATOM 991 CG2 VAL A 63 -11.883 -8.981 4.252 1.00 0.00 C ATOM 0 H VAL A 63 -13.615 -9.479 1.691 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.702 -7.281 2.113 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.425 -10.268 2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.312 -9.669 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.293 -9.242 1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.533 -7.976 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.423 -9.632 4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.733 -7.940 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.951 -9.191 4.197 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.500 -7.638 -0.022 1.00 0.00 N ATOM 1002 CA GLY A 64 -9.807 -7.817 -1.272 1.00 0.00 C ATOM 1003 C GLY A 64 -8.422 -7.219 -1.225 1.00 0.00 C ATOM 1004 O GLY A 64 -8.111 -6.433 -0.334 1.00 0.00 O ATOM 0 H GLY A 64 -10.357 -6.731 0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.738 -8.880 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.378 -7.353 -2.076 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.586 -7.586 -2.171 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.251 -7.024 -2.243 1.00 0.00 C ATOM 1010 C GLN A 65 -6.185 -5.998 -3.356 1.00 0.00 C ATOM 1011 O GLN A 65 -6.591 -6.267 -4.490 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.197 -8.108 -2.453 1.00 0.00 C ATOM 1013 CG GLN A 65 -4.978 -8.984 -1.231 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.799 -9.921 -1.397 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -3.947 -11.054 -1.854 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -2.620 -9.452 -1.025 1.00 0.00 N ATOM 0 H GLN A 65 -7.803 -8.267 -2.898 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.035 -6.538 -1.292 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.495 -8.736 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.253 -7.638 -2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.816 -8.352 -0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.878 -9.568 -1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.542 -8.506 -0.651 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.788 -10.036 -1.112 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.680 -4.825 -3.020 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.649 -3.700 -3.934 1.00 0.00 C ATOM 1027 C VAL A 66 -4.236 -3.131 -4.024 1.00 0.00 C ATOM 1028 O VAL A 66 -3.666 -2.703 -3.023 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.644 -2.619 -3.453 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.481 -1.306 -4.191 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -8.068 -3.113 -3.608 1.00 0.00 C ATOM 0 H VAL A 66 -5.279 -4.626 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.943 -4.034 -4.929 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.424 -2.434 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.205 -0.584 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.472 -0.924 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.649 -1.464 -5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.760 -2.343 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.264 -3.336 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.207 -4.016 -3.013 1.00 0.00 H new ATOM 1041 N ARG A 67 -3.655 -3.173 -5.215 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.314 -2.650 -5.411 1.00 0.00 C ATOM 1043 C ARG A 67 -2.378 -1.424 -6.308 1.00 0.00 C ATOM 1044 O ARG A 67 -3.197 -1.363 -7.228 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.367 -3.721 -5.979 1.00 0.00 C ATOM 1046 CG ARG A 67 -1.576 -4.074 -7.440 1.00 0.00 C ATOM 1047 CD ARG A 67 -0.421 -4.927 -7.932 1.00 0.00 C ATOM 1048 NE ARG A 67 -0.666 -5.521 -9.245 1.00 0.00 N ATOM 1049 CZ ARG A 67 0.281 -5.690 -10.168 1.00 0.00 C ATOM 1050 NH1 ARG A 67 1.496 -5.193 -9.979 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 0.006 -6.337 -11.290 1.00 0.00 N ATOM 0 H ARG A 67 -4.089 -3.561 -6.053 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.904 -2.357 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.341 -3.378 -5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.476 -4.629 -5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.516 -4.612 -7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.649 -3.165 -8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.480 -4.316 -7.979 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.230 -5.721 -7.210 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.615 -5.823 -9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.709 -4.679 -9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.217 -5.325 -10.688 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.931 -6.707 -11.449 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.731 -6.466 -11.995 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.534 -0.444 -6.032 1.00 0.00 N ATOM 1066 CA PHE A 68 -1.668 0.859 -6.654 1.00 0.00 C ATOM 1067 C PHE A 68 -0.375 1.662 -6.609 1.00 0.00 C ATOM 1068 O PHE A 68 0.467 1.473 -5.732 1.00 0.00 O ATOM 1069 CB PHE A 68 -2.798 1.654 -5.981 1.00 0.00 C ATOM 1070 CG PHE A 68 -2.952 1.430 -4.499 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -1.862 1.468 -3.644 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.205 1.184 -3.967 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.022 1.263 -2.287 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.372 0.979 -2.612 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.281 1.019 -1.772 1.00 0.00 C ATOM 0 H PHE A 68 -0.751 -0.527 -5.383 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.909 0.688 -7.703 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.625 2.716 -6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.739 1.400 -6.469 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.877 1.660 -4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.064 1.152 -4.620 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.165 1.293 -1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.356 0.788 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.409 0.860 -0.712 1.00 0.00 H new ATOM 1085 N THR A 69 -0.234 2.549 -7.582 1.00 0.00 N ATOM 1086 CA THR A 69 0.838 3.527 -7.603 1.00 0.00 C ATOM 1087 C THR A 69 0.320 4.822 -7.000 1.00 0.00 C ATOM 1088 O THR A 69 -0.717 5.340 -7.422 1.00 0.00 O ATOM 1089 CB THR A 69 1.330 3.782 -9.035 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.660 2.536 -9.666 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.548 4.687 -9.030 1.00 0.00 C ATOM 0 H THR A 69 -0.864 2.609 -8.382 1.00 0.00 H new ATOM 0 HA THR A 69 1.680 3.145 -7.025 1.00 0.00 H new ATOM 0 HB THR A 69 0.532 4.273 -9.591 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.972 2.704 -10.580 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.881 4.855 -10.054 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.290 5.641 -8.571 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.349 4.215 -8.461 1.00 0.00 H new ATOM 1099 N LEU A 70 1.027 5.332 -6.010 1.00 0.00 N ATOM 1100 CA LEU A 70 0.533 6.450 -5.228 1.00 0.00 C ATOM 1101 C LEU A 70 1.421 7.675 -5.363 1.00 0.00 C ATOM 1102 O LEU A 70 2.643 7.568 -5.465 1.00 0.00 O ATOM 1103 CB LEU A 70 0.426 6.022 -3.773 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.444 4.788 -3.560 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.314 4.283 -2.137 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.897 5.099 -3.901 1.00 0.00 C ATOM 0 H LEU A 70 1.946 4.990 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.449 6.732 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.426 5.822 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.019 6.848 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.100 3.999 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.942 3.402 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.725 4.021 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.631 5.062 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.506 4.209 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.257 5.903 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.968 5.408 -4.944 1.00 0.00 H new ATOM 1118 N ASP A 71 0.781 8.835 -5.369 1.00 0.00 N ATOM 1119 CA ASP A 71 1.474 10.106 -5.507 1.00 0.00 C ATOM 1120 C ASP A 71 1.949 10.622 -4.155 1.00 0.00 C ATOM 1121 O ASP A 71 1.387 10.294 -3.110 1.00 0.00 O ATOM 1122 CB ASP A 71 0.545 11.135 -6.158 1.00 0.00 C ATOM 1123 CG ASP A 71 1.151 12.521 -6.235 1.00 0.00 C ATOM 1124 OD1 ASP A 71 1.960 12.774 -7.145 1.00 0.00 O ATOM 1125 OD2 ASP A 71 0.816 13.366 -5.380 1.00 0.00 O1- ATOM 0 H ASP A 71 -0.231 8.921 -5.278 1.00 0.00 H new ATOM 0 HA ASP A 71 2.348 9.951 -6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.291 10.800 -7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.386 11.183 -5.593 1.00 0.00 H new ATOM 1130 N ARG A 72 2.988 11.440 -4.219 1.00 0.00 N ATOM 1131 CA ARG A 72 3.619 12.066 -3.056 1.00 0.00 C ATOM 1132 C ARG A 72 2.607 12.813 -2.180 1.00 0.00 C ATOM 1133 O ARG A 72 2.746 12.859 -0.959 1.00 0.00 O ATOM 1134 CB ARG A 72 4.687 13.038 -3.559 1.00 0.00 C ATOM 1135 CG ARG A 72 5.584 13.628 -2.485 1.00 0.00 C ATOM 1136 CD ARG A 72 6.526 14.648 -3.099 1.00 0.00 C ATOM 1137 NE ARG A 72 7.567 15.095 -2.178 1.00 0.00 N ATOM 1138 CZ ARG A 72 8.307 16.183 -2.378 1.00 0.00 C ATOM 1139 NH1 ARG A 72 8.065 16.971 -3.422 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 9.273 16.489 -1.522 1.00 0.00 N ATOM 0 H ARG A 72 3.431 11.697 -5.101 1.00 0.00 H new ATOM 0 HA ARG A 72 4.060 11.285 -2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.312 12.521 -4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.193 13.854 -4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.978 14.100 -1.712 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.157 12.836 -2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.993 14.215 -3.984 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.950 15.511 -3.433 1.00 0.00 H new ATOM 0 HE ARG A 72 7.736 14.544 -1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.312 16.742 -4.070 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.633 17.805 -3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.447 15.891 -0.714 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.842 17.322 -1.672 1.00 0.00 H new ATOM 1154 N GLN A 73 1.602 13.416 -2.810 1.00 0.00 N ATOM 1155 CA GLN A 73 0.581 14.161 -2.087 1.00 0.00 C ATOM 1156 C GLN A 73 -0.684 13.329 -1.908 1.00 0.00 C ATOM 1157 O GLN A 73 -1.739 13.845 -1.536 1.00 0.00 O ATOM 1158 CB GLN A 73 0.275 15.455 -2.829 1.00 0.00 C ATOM 1159 CG GLN A 73 1.482 16.368 -2.921 1.00 0.00 C ATOM 1160 CD GLN A 73 1.814 17.016 -1.591 1.00 0.00 C ATOM 1161 OE1 GLN A 73 1.359 18.120 -1.294 1.00 0.00 O ATOM 1162 NE2 GLN A 73 2.596 16.328 -0.772 1.00 0.00 N ATOM 0 H GLN A 73 1.475 13.402 -3.822 1.00 0.00 H new ATOM 0 HA GLN A 73 0.959 14.399 -1.093 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.077 15.220 -3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.535 15.979 -2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.342 15.796 -3.269 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.293 17.143 -3.664 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.954 15.416 -1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.840 16.711 0.141 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.566 12.036 -2.171 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.666 11.124 -1.943 1.00 0.00 C ATOM 1173 C GLY A 74 -2.697 11.138 -3.050 1.00 0.00 C ATOM 1174 O GLY A 74 -3.897 11.088 -2.791 1.00 0.00 O ATOM 0 H GLY A 74 0.279 11.600 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.274 10.113 -1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.151 11.380 -1.001 1.00 0.00 H new ATOM 1178 N HIS A 75 -2.236 11.207 -4.280 1.00 0.00 N ATOM 1179 CA HIS A 75 -3.125 11.125 -5.425 1.00 0.00 C ATOM 1180 C HIS A 75 -3.024 9.739 -6.050 1.00 0.00 C ATOM 1181 O HIS A 75 -1.946 9.325 -6.473 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.770 12.209 -6.452 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.658 12.233 -7.659 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.850 12.921 -7.709 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -3.513 11.649 -8.871 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -5.402 12.756 -8.897 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -4.608 11.988 -9.620 1.00 0.00 N ATOM 0 H HIS A 75 -1.250 11.320 -4.516 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.151 11.291 -5.097 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.814 13.183 -5.964 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.740 12.061 -6.777 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.687 11.030 -9.189 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -6.342 13.177 -9.222 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.782 11.695 -10.581 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.133 9.009 -6.055 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.197 7.715 -6.723 1.00 0.00 C ATOM 1198 C VAL A 76 -3.736 7.822 -8.182 1.00 0.00 C ATOM 1199 O VAL A 76 -4.371 8.484 -9.006 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.626 7.124 -6.656 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.663 8.116 -7.166 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.710 5.815 -7.425 1.00 0.00 C ATOM 0 H VAL A 76 -5.002 9.292 -5.603 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.520 7.042 -6.197 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.848 6.920 -5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.655 7.669 -7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.634 9.019 -6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.443 8.371 -8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.724 5.421 -7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.453 5.990 -8.470 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.014 5.095 -6.995 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.612 7.192 -8.486 1.00 0.00 N ATOM 1213 CA LEU A 77 -2.046 7.250 -9.824 1.00 0.00 C ATOM 1214 C LEU A 77 -2.420 6.005 -10.614 1.00 0.00 C ATOM 1215 O LEU A 77 -2.894 6.094 -11.747 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.525 7.397 -9.749 1.00 0.00 C ATOM 1217 CG LEU A 77 -0.036 8.658 -9.036 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.460 8.587 -8.790 1.00 0.00 C ATOM 1219 CD2 LEU A 77 -0.383 9.898 -9.849 1.00 0.00 C ATOM 0 H LEU A 77 -2.073 6.634 -7.823 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.456 8.120 -10.337 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.115 6.526 -9.238 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.123 7.391 -10.762 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.540 8.724 -8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.789 9.494 -8.282 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.686 7.720 -8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.981 8.496 -9.743 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.028 10.786 -9.327 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.094 9.837 -10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.464 9.959 -9.975 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.223 4.851 -10.004 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.571 3.584 -10.627 1.00 0.00 C ATOM 1233 C ALA A 78 -3.377 2.747 -9.659 1.00 0.00 C ATOM 1234 O ALA A 78 -3.272 2.945 -8.460 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.324 2.824 -11.050 1.00 0.00 C ATOM 0 H ALA A 78 -1.821 4.763 -9.071 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.165 3.789 -11.518 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.613 1.880 -11.513 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.759 3.421 -11.766 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.705 2.625 -10.175 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.175 1.830 -10.180 1.00 0.00 N ATOM 1242 CA VAL A 79 -4.958 0.923 -9.354 1.00 0.00 C ATOM 1243 C VAL A 79 -5.161 -0.397 -10.079 1.00 0.00 C ATOM 1244 O VAL A 79 -5.548 -0.418 -11.247 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.342 1.502 -8.976 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.241 2.388 -7.748 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -6.953 2.277 -10.139 1.00 0.00 C ATOM 0 H VAL A 79 -4.299 1.693 -11.183 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.394 0.775 -8.433 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.998 0.663 -8.745 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.227 2.783 -7.502 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.864 1.804 -6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.559 3.214 -7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.925 2.672 -9.843 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.295 3.102 -10.413 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.077 1.612 -10.994 1.00 0.00 H new ATOM 1257 N THR A 80 -4.869 -1.490 -9.403 1.00 0.00 N ATOM 1258 CA THR A 80 -5.054 -2.808 -9.975 1.00 0.00 C ATOM 1259 C THR A 80 -5.553 -3.780 -8.912 1.00 0.00 C ATOM 1260 O THR A 80 -4.952 -3.901 -7.840 1.00 0.00 O ATOM 1261 CB THR A 80 -3.739 -3.334 -10.585 1.00 0.00 C ATOM 1262 OG1 THR A 80 -3.215 -2.369 -11.507 1.00 0.00 O ATOM 1263 CG2 THR A 80 -3.962 -4.653 -11.308 1.00 0.00 C ATOM 0 H THR A 80 -4.501 -1.491 -8.452 1.00 0.00 H new ATOM 0 HA THR A 80 -5.798 -2.730 -10.768 1.00 0.00 H new ATOM 0 HB THR A 80 -3.029 -3.498 -9.775 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.379 -2.705 -11.892 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.019 -5.001 -11.729 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.341 -5.394 -10.604 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.686 -4.510 -12.110 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.669 -4.439 -9.196 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.208 -5.440 -8.293 1.00 0.00 C ATOM 1273 C LEU A 81 -6.303 -6.662 -8.293 1.00 0.00 C ATOM 1274 O LEU A 81 -6.048 -7.264 -9.340 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.625 -5.842 -8.698 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.306 -6.818 -7.741 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.641 -6.131 -6.425 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.552 -7.411 -8.376 1.00 0.00 C ATOM 0 H LEU A 81 -7.216 -4.296 -10.045 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.252 -5.014 -7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.236 -4.943 -8.775 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.592 -6.290 -9.691 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.614 -7.633 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.126 -6.842 -5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.725 -5.764 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.313 -5.294 -6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.022 -8.104 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.252 -6.612 -8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.278 -7.944 -9.286 1.00 0.00 H new ATOM 1290 N VAL A 82 -5.815 -7.016 -7.123 1.00 0.00 N ATOM 1291 CA VAL A 82 -4.841 -8.087 -6.999 1.00 0.00 C ATOM 1292 C VAL A 82 -5.536 -9.388 -6.615 1.00 0.00 C ATOM 1293 O VAL A 82 -5.229 -10.449 -7.155 1.00 0.00 O ATOM 1294 CB VAL A 82 -3.776 -7.729 -5.942 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -2.406 -8.256 -6.329 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -3.721 -6.233 -5.734 1.00 0.00 C ATOM 0 H VAL A 82 -6.076 -6.578 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.348 -8.218 -7.962 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.066 -8.208 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.682 -7.985 -5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.447 -9.341 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.105 -7.821 -7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.965 -5.997 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.466 -5.744 -6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.693 -5.877 -5.392 1.00 0.00 H new ATOM 1306 N SER A 83 -6.494 -9.290 -5.698 1.00 0.00 N ATOM 1307 CA SER A 83 -7.224 -10.460 -5.227 1.00 0.00 C ATOM 1308 C SER A 83 -8.650 -10.087 -4.827 1.00 0.00 C ATOM 1309 O SER A 83 -8.862 -9.117 -4.099 1.00 0.00 O ATOM 1310 CB SER A 83 -6.501 -11.087 -4.032 1.00 0.00 C ATOM 1311 OG SER A 83 -5.151 -11.389 -4.347 1.00 0.00 O ATOM 0 H SER A 83 -6.782 -8.412 -5.267 1.00 0.00 H new ATOM 0 HA SER A 83 -7.269 -11.182 -6.042 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.535 -10.403 -3.184 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.018 -11.997 -3.728 1.00 0.00 H new ATOM 0 HG SER A 83 -4.601 -11.307 -3.540 1.00 0.00 H new ATOM 1317 N SER A 84 -9.617 -10.850 -5.317 1.00 0.00 N ATOM 1318 CA SER A 84 -11.013 -10.663 -4.954 1.00 0.00 C ATOM 1319 C SER A 84 -11.677 -12.024 -4.749 1.00 0.00 C ATOM 1320 O SER A 84 -11.861 -12.792 -5.697 1.00 0.00 O ATOM 1321 CB SER A 84 -11.736 -9.866 -6.044 1.00 0.00 C ATOM 1322 OG SER A 84 -13.100 -9.651 -5.712 1.00 0.00 O ATOM 0 H SER A 84 -9.456 -11.613 -5.975 1.00 0.00 H new ATOM 0 HA SER A 84 -11.073 -10.101 -4.022 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.239 -8.906 -6.185 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.671 -10.401 -6.991 1.00 0.00 H new ATOM 0 HG SER A 84 -13.534 -9.139 -6.426 1.00 0.00 H new ATOM 1328 N ALA A 85 -12.014 -12.318 -3.498 1.00 0.00 N ATOM 1329 CA ALA A 85 -12.580 -13.611 -3.125 1.00 0.00 C ATOM 1330 C ALA A 85 -13.998 -13.797 -3.666 1.00 0.00 C ATOM 1331 O ALA A 85 -14.250 -14.697 -4.468 1.00 0.00 O ATOM 1332 CB ALA A 85 -12.562 -13.771 -1.611 1.00 0.00 C ATOM 0 H ALA A 85 -11.904 -11.671 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.960 -14.385 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.986 -14.738 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.535 -13.713 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.152 -12.977 -1.154 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.916 -12.952 -3.228 1.00 0.00 N ATOM 1339 CA GLY A 86 -16.296 -13.077 -3.654 1.00 0.00 C ATOM 1340 C GLY A 86 -17.046 -11.772 -3.523 1.00 0.00 C ATOM 1341 O GLY A 86 -17.996 -11.667 -2.750 1.00 0.00 O ATOM 0 H GLY A 86 -14.733 -12.181 -2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.327 -13.411 -4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.792 -13.843 -3.057 1.00 0.00 H new ATOM 1345 N LEU A 87 -16.605 -10.769 -4.269 1.00 0.00 N ATOM 1346 CA LEU A 87 -17.233 -9.456 -4.235 1.00 0.00 C ATOM 1347 C LEU A 87 -17.876 -9.155 -5.592 1.00 0.00 C ATOM 1348 O LEU A 87 -17.238 -8.556 -6.457 1.00 0.00 O ATOM 1349 CB LEU A 87 -16.209 -8.343 -3.925 1.00 0.00 C ATOM 1350 CG LEU A 87 -15.365 -8.460 -2.638 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -16.243 -8.683 -1.430 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -14.311 -9.552 -2.745 1.00 0.00 C ATOM 0 H LEU A 87 -15.812 -10.840 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.985 -9.473 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.521 -8.280 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.749 -7.397 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.842 -7.512 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.621 -8.762 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.931 -7.845 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.811 -9.604 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.741 -9.599 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.798 -10.511 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.639 -9.329 -3.573 1.00 0.00 H new ATOM 1364 N PRO A 88 -19.130 -9.579 -5.813 1.00 0.00 N ATOM 1365 CA PRO A 88 -19.839 -9.312 -7.063 1.00 0.00 C ATOM 1366 C PRO A 88 -20.351 -7.876 -7.121 1.00 0.00 C ATOM 1367 O PRO A 88 -19.742 -7.009 -7.750 1.00 0.00 O ATOM 1368 CB PRO A 88 -21.012 -10.310 -7.050 1.00 0.00 C ATOM 1369 CG PRO A 88 -20.826 -11.153 -5.825 1.00 0.00 C ATOM 1370 CD PRO A 88 -19.950 -10.367 -4.891 1.00 0.00 C ATOM 0 HA PRO A 88 -19.194 -9.429 -7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -21.968 -9.787 -7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.011 -10.925 -7.950 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.786 -11.377 -5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.364 -12.107 -6.078 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.534 -9.733 -4.224 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -19.342 -11.017 -4.261 1.00 0.00 H new ATOM 1378 N SER A 89 -21.457 -7.625 -6.437 1.00 0.00 N ATOM 1379 CA SER A 89 -22.013 -6.284 -6.327 1.00 0.00 C ATOM 1380 C SER A 89 -21.181 -5.445 -5.361 1.00 0.00 C ATOM 1381 O SER A 89 -21.236 -4.216 -5.360 1.00 0.00 O ATOM 1382 CB SER A 89 -23.462 -6.375 -5.856 1.00 0.00 C ATOM 1383 OG SER A 89 -23.589 -7.329 -4.813 1.00 0.00 O ATOM 0 H SER A 89 -21.992 -8.340 -5.945 1.00 0.00 H new ATOM 0 HA SER A 89 -21.988 -5.798 -7.303 1.00 0.00 H new ATOM 0 HB2 SER A 89 -23.798 -5.399 -5.506 1.00 0.00 H new ATOM 0 HB3 SER A 89 -24.105 -6.653 -6.691 1.00 0.00 H new ATOM 0 HG SER A 89 -23.797 -8.207 -5.196 1.00 0.00 H new ATOM 1389 N LEU A 90 -20.407 -6.137 -4.542 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.581 -5.507 -3.524 1.00 0.00 C ATOM 1391 C LEU A 90 -18.418 -4.749 -4.144 1.00 0.00 C ATOM 1392 O LEU A 90 -18.067 -3.660 -3.691 1.00 0.00 O ATOM 1393 CB LEU A 90 -19.035 -6.576 -2.587 1.00 0.00 C ATOM 1394 CG LEU A 90 -20.083 -7.480 -1.948 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -19.451 -8.805 -1.569 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -20.669 -6.799 -0.731 1.00 0.00 C ATOM 0 H LEU A 90 -20.333 -7.154 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.200 -4.797 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -18.333 -7.198 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.470 -6.086 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.886 -7.670 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -20.202 -9.449 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -19.054 -9.287 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.642 -8.632 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.418 -7.448 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -19.877 -6.598 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.135 -5.860 -1.029 1.00 0.00 H new ATOM 1408 N ASP A 91 -17.842 -5.330 -5.194 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.626 -4.804 -5.813 1.00 0.00 C ATOM 1410 C ASP A 91 -16.791 -3.345 -6.209 1.00 0.00 C ATOM 1411 O ASP A 91 -15.985 -2.497 -5.838 1.00 0.00 O ATOM 1412 CB ASP A 91 -16.275 -5.633 -7.048 1.00 0.00 C ATOM 1413 CG ASP A 91 -14.988 -5.188 -7.713 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -15.029 -4.243 -8.527 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -13.934 -5.804 -7.448 1.00 0.00 O1- ATOM 0 H ASP A 91 -18.202 -6.174 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 91 -15.821 -4.869 -5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -16.186 -6.681 -6.762 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.091 -5.567 -7.767 1.00 0.00 H new ATOM 1420 N ARG A 92 -17.869 -3.061 -6.925 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.128 -1.721 -7.437 1.00 0.00 C ATOM 1422 C ARG A 92 -18.118 -0.685 -6.309 1.00 0.00 C ATOM 1423 O ARG A 92 -17.569 0.403 -6.463 1.00 0.00 O ATOM 1424 CB ARG A 92 -19.474 -1.698 -8.182 1.00 0.00 C ATOM 1425 CG ARG A 92 -20.690 -1.784 -7.268 1.00 0.00 C ATOM 1426 CD ARG A 92 -21.856 -2.501 -7.921 1.00 0.00 C ATOM 1427 NE ARG A 92 -22.212 -1.924 -9.213 1.00 0.00 N ATOM 1428 CZ ARG A 92 -23.455 -1.858 -9.682 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -24.475 -2.278 -8.939 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -23.673 -1.361 -10.892 1.00 0.00 N ATOM 0 H ARG A 92 -18.585 -3.746 -7.167 1.00 0.00 H new ATOM 0 HA ARG A 92 -17.331 -1.458 -8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -19.537 -0.781 -8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.502 -2.530 -8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.415 -2.304 -6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -20.999 -0.778 -6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -21.604 -3.553 -8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -22.720 -2.461 -7.258 1.00 0.00 H new ATOM 0 HE ARG A 92 -21.461 -1.548 -9.792 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -24.306 -2.653 -8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -25.427 -2.225 -9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -22.890 -1.032 -11.457 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -24.624 -1.308 -11.258 1.00 0.00 H new ATOM 1444 N GLU A 93 -18.706 -1.050 -5.175 1.00 0.00 N ATOM 1445 CA GLU A 93 -18.888 -0.126 -4.064 1.00 0.00 C ATOM 1446 C GLU A 93 -17.593 0.060 -3.271 1.00 0.00 C ATOM 1447 O GLU A 93 -17.129 1.186 -3.078 1.00 0.00 O ATOM 1448 CB GLU A 93 -20.017 -0.642 -3.172 1.00 0.00 C ATOM 1449 CG GLU A 93 -20.885 0.447 -2.556 1.00 0.00 C ATOM 1450 CD GLU A 93 -20.352 0.955 -1.234 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -20.664 0.339 -0.193 1.00 0.00 O ATOM 1452 OE2 GLU A 93 -19.656 1.990 -1.223 1.00 0.00 O1- ATOM 0 H GLU A 93 -19.067 -1.988 -5.001 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.157 0.855 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.652 -1.306 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.585 -1.241 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.962 1.280 -3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -21.893 0.060 -2.410 1.00 0.00 H new ATOM 1459 N ILE A 94 -16.993 -1.047 -2.833 1.00 0.00 N ATOM 1460 CA ILE A 94 -15.799 -0.988 -2.000 1.00 0.00 C ATOM 1461 C ILE A 94 -14.614 -0.377 -2.751 1.00 0.00 C ATOM 1462 O ILE A 94 -13.812 0.356 -2.170 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.403 -2.378 -1.448 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.123 -3.367 -2.588 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -16.498 -2.910 -0.531 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -14.655 -4.726 -2.117 1.00 0.00 C ATOM 0 H ILE A 94 -17.316 -1.992 -3.042 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.051 -0.344 -1.158 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.485 -2.268 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.030 -3.491 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.367 -2.942 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -16.209 -3.889 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -16.641 -2.222 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.429 -3.000 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.478 -5.369 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -13.730 -4.616 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -15.419 -5.174 -1.481 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.509 -0.659 -4.046 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.427 -0.118 -4.837 1.00 0.00 C ATOM 1480 C GLN A 95 -13.716 1.320 -5.219 1.00 0.00 C ATOM 1481 O GLN A 95 -12.812 2.103 -5.436 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.210 -0.934 -6.092 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.013 -2.420 -5.838 1.00 0.00 C ATOM 1484 CD GLN A 95 -11.729 -2.731 -5.101 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -10.734 -2.021 -5.239 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -11.748 -3.791 -4.308 1.00 0.00 N ATOM 0 H GLN A 95 -15.158 -1.255 -4.560 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.523 -0.158 -4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.066 -0.799 -6.753 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.337 -0.547 -6.618 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.857 -2.799 -5.261 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.015 -2.949 -6.791 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.597 -4.351 -4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.914 -4.048 -3.780 1.00 0.00 H new ATOM 1495 N ALA A 96 -14.975 1.672 -5.313 1.00 0.00 N ATOM 1496 CA ALA A 96 -15.322 3.065 -5.539 1.00 0.00 C ATOM 1497 C ALA A 96 -14.680 3.909 -4.448 1.00 0.00 C ATOM 1498 O ALA A 96 -14.004 4.899 -4.725 1.00 0.00 O ATOM 1499 CB ALA A 96 -16.830 3.262 -5.554 1.00 0.00 C ATOM 0 H ALA A 96 -15.766 1.033 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.948 3.375 -6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -17.058 4.314 -5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.267 2.662 -6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -17.247 2.952 -4.596 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.823 3.444 -3.216 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.302 4.114 -2.069 1.00 0.00 C ATOM 1507 C LEU A 97 -12.769 4.104 -2.053 1.00 0.00 C ATOM 1508 O LEU A 97 -12.141 5.150 -1.980 1.00 0.00 O ATOM 1509 CB LEU A 97 -14.838 3.409 -0.831 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.360 4.021 0.450 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.455 4.868 1.076 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -13.861 2.961 1.412 1.00 0.00 C ATOM 0 H LEU A 97 -15.314 2.577 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.616 5.158 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -15.928 3.430 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.539 2.361 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.517 4.674 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.090 5.305 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -15.738 5.664 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.324 4.243 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.521 3.436 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.670 2.266 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.033 2.417 0.957 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.174 2.916 -2.140 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.722 2.783 -2.014 1.00 0.00 C ATOM 1526 C VAL A 98 -9.997 2.953 -3.349 1.00 0.00 C ATOM 1527 O VAL A 98 -9.033 3.707 -3.444 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.333 1.417 -1.410 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -8.820 1.251 -1.378 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -10.916 1.267 -0.016 1.00 0.00 C ATOM 0 H VAL A 98 -12.669 2.038 -2.296 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.410 3.586 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.747 0.633 -2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.569 0.281 -0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.426 1.311 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.380 2.042 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.632 0.298 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.533 2.060 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.003 1.335 -0.067 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.469 2.259 -4.374 1.00 0.00 N ATOM 1541 CA LYS A 99 -9.812 2.259 -5.679 1.00 0.00 C ATOM 1542 C LYS A 99 -9.857 3.654 -6.319 1.00 0.00 C ATOM 1543 O LYS A 99 -9.031 3.975 -7.172 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.447 1.195 -6.604 1.00 0.00 C ATOM 1545 CG LYS A 99 -9.867 1.158 -8.010 1.00 0.00 C ATOM 1546 CD LYS A 99 -10.628 0.194 -8.912 1.00 0.00 C ATOM 1547 CE LYS A 99 -10.511 -1.247 -8.439 1.00 0.00 C ATOM 1548 NZ LYS A 99 -11.280 -2.174 -9.312 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.310 1.684 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.763 1.999 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.323 0.213 -6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.519 1.382 -6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.896 2.159 -8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.819 0.861 -7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.679 0.481 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.246 0.273 -9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.462 -1.543 -8.428 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.875 -1.325 -7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.178 -3.147 -8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.285 -1.906 -9.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.916 -2.117 -10.284 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.817 4.490 -5.917 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.827 5.870 -6.384 1.00 0.00 C ATOM 1564 C ARG A 100 -10.103 6.790 -5.395 1.00 0.00 C ATOM 1565 O ARG A 100 -9.554 7.819 -5.784 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.258 6.351 -6.625 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.347 7.776 -7.152 1.00 0.00 C ATOM 1568 CD ARG A 100 -11.483 7.970 -8.388 1.00 0.00 C ATOM 1569 NE ARG A 100 -11.634 9.308 -8.949 1.00 0.00 N ATOM 1570 CZ ARG A 100 -10.830 9.833 -9.869 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -9.807 9.134 -10.351 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -11.052 11.065 -10.303 1.00 0.00 N ATOM 0 H ARG A 100 -11.578 4.241 -5.285 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.291 5.908 -7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.742 5.680 -7.335 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.816 6.283 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -13.384 8.012 -7.391 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -12.033 8.472 -6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.438 7.799 -8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.752 7.228 -9.140 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.409 9.880 -8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.633 8.187 -10.015 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.196 9.545 -11.057 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.835 11.603 -9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.440 11.475 -11.008 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.086 6.416 -4.123 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.419 7.227 -3.112 1.00 0.00 C ATOM 1588 C ALA A 101 -8.225 6.496 -2.517 1.00 0.00 C ATOM 1589 O ALA A 101 -8.288 5.995 -1.395 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.388 7.635 -2.009 1.00 0.00 C ATOM 0 H ALA A 101 -10.522 5.565 -3.768 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.057 8.129 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.863 8.239 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.204 8.216 -2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.790 6.743 -1.530 1.00 0.00 H new ATOM 1596 N SER A 102 -7.138 6.423 -3.274 1.00 0.00 N ATOM 1597 CA SER A 102 -5.911 5.832 -2.761 1.00 0.00 C ATOM 1598 C SER A 102 -4.862 6.918 -2.515 1.00 0.00 C ATOM 1599 O SER A 102 -4.150 7.337 -3.429 1.00 0.00 O ATOM 1600 CB SER A 102 -5.379 4.791 -3.748 1.00 0.00 C ATOM 1601 OG SER A 102 -6.392 3.873 -4.124 1.00 0.00 O ATOM 0 H SER A 102 -7.081 6.762 -4.234 1.00 0.00 H new ATOM 0 HA SER A 102 -6.127 5.339 -1.813 1.00 0.00 H new ATOM 0 HB2 SER A 102 -4.992 5.292 -4.635 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.546 4.252 -3.297 1.00 0.00 H new ATOM 0 HG SER A 102 -7.207 4.058 -3.612 1.00 0.00 H new ATOM 1607 N PRO A 103 -4.784 7.405 -1.270 1.00 0.00 N ATOM 1608 CA PRO A 103 -3.860 8.440 -0.850 1.00 0.00 C ATOM 1609 C PRO A 103 -2.788 7.974 0.157 1.00 0.00 C ATOM 1610 O PRO A 103 -3.103 7.479 1.241 1.00 0.00 O ATOM 1611 CB PRO A 103 -4.844 9.390 -0.171 1.00 0.00 C ATOM 1612 CG PRO A 103 -5.951 8.503 0.361 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.700 7.115 -0.182 1.00 0.00 C ATOM 0 HA PRO A 103 -3.264 8.840 -1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.363 9.945 0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.233 10.124 -0.877 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.951 8.497 1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.927 8.871 0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.258 6.454 0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.615 6.636 -0.530 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.521 8.155 -0.197 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.420 7.904 0.727 1.00 0.00 C ATOM 1623 C LEU A 104 -0.065 9.190 1.470 1.00 0.00 C ATOM 1624 O LEU A 104 0.205 10.217 0.848 1.00 0.00 O ATOM 1625 CB LEU A 104 0.814 7.399 -0.031 1.00 0.00 C ATOM 1626 CG LEU A 104 1.289 5.988 0.338 1.00 0.00 C ATOM 1627 CD1 LEU A 104 2.538 5.625 -0.446 1.00 0.00 C ATOM 1628 CD2 LEU A 104 1.553 5.879 1.832 1.00 0.00 C ATOM 0 H LEU A 104 -1.229 8.476 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.734 7.142 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.596 7.422 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.634 8.096 0.142 1.00 0.00 H new ATOM 0 HG LEU A 104 0.497 5.285 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.861 4.621 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.320 5.657 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.331 6.337 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.889 4.870 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.324 6.595 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.636 6.095 2.380 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.095 9.159 2.813 1.00 0.00 N ATOM 1641 CA PRO A 105 0.272 10.309 3.634 1.00 0.00 C ATOM 1642 C PRO A 105 1.779 10.489 3.733 1.00 0.00 C ATOM 1643 O PRO A 105 2.320 11.535 3.377 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.294 9.986 5.021 1.00 0.00 C ATOM 1645 CG PRO A 105 -0.915 8.628 4.930 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.500 8.011 3.626 1.00 0.00 C ATOM 0 HA PRO A 105 -0.117 11.233 3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.495 10.001 5.773 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.033 10.730 5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.593 8.006 5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.001 8.702 4.988 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.320 7.306 3.760 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.320 7.462 3.164 1.00 0.00 H new ATOM 1654 N THR A 106 2.435 9.465 4.250 1.00 0.00 N ATOM 1655 CA THR A 106 3.880 9.461 4.368 1.00 0.00 C ATOM 1656 C THR A 106 4.517 9.464 2.980 1.00 0.00 C ATOM 1657 O THR A 106 4.130 8.677 2.114 1.00 0.00 O ATOM 1658 CB THR A 106 4.370 8.244 5.191 1.00 0.00 C ATOM 1659 OG1 THR A 106 5.800 8.194 5.218 1.00 0.00 O ATOM 1660 CG2 THR A 106 3.820 6.936 4.634 1.00 0.00 C ATOM 0 H THR A 106 1.984 8.619 4.597 1.00 0.00 H new ATOM 0 HA THR A 106 4.184 10.364 4.898 1.00 0.00 H new ATOM 0 HB THR A 106 3.997 8.368 6.208 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.090 7.420 5.744 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.184 6.103 5.235 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.731 6.957 4.665 1.00 0.00 H new ATOM 0 HG23 THR A 106 4.152 6.811 3.603 1.00 0.00 H new ATOM 1668 N PRO A 107 5.460 10.388 2.742 1.00 0.00 N ATOM 1669 CA PRO A 107 6.154 10.499 1.464 1.00 0.00 C ATOM 1670 C PRO A 107 7.300 9.495 1.338 1.00 0.00 C ATOM 1671 O PRO A 107 8.378 9.682 1.909 1.00 0.00 O ATOM 1672 CB PRO A 107 6.685 11.933 1.484 1.00 0.00 C ATOM 1673 CG PRO A 107 6.891 12.248 2.929 1.00 0.00 C ATOM 1674 CD PRO A 107 5.911 11.406 3.707 1.00 0.00 C ATOM 0 HA PRO A 107 5.502 10.284 0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.617 12.017 0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.976 12.623 1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 107 7.915 12.026 3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 107 6.726 13.308 3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 107 6.382 10.948 4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.077 12.004 4.074 1.00 0.00 H new ATOM 1682 N PRO A 108 7.089 8.417 0.572 1.00 0.00 N ATOM 1683 CA PRO A 108 8.081 7.370 0.399 1.00 0.00 C ATOM 1684 C PRO A 108 9.056 7.705 -0.716 1.00 0.00 C ATOM 1685 O PRO A 108 9.229 6.938 -1.665 1.00 0.00 O ATOM 1686 CB PRO A 108 7.221 6.165 0.039 1.00 0.00 C ATOM 1687 CG PRO A 108 6.087 6.742 -0.739 1.00 0.00 C ATOM 1688 CD PRO A 108 5.865 8.137 -0.203 1.00 0.00 C ATOM 0 HA PRO A 108 8.706 7.215 1.278 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.780 5.439 -0.551 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.869 5.647 0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.320 6.768 -1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.189 6.135 -0.624 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.729 8.858 -1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.975 8.187 0.424 1.00 0.00 H new ATOM 1696 N ALA A 109 9.691 8.860 -0.587 1.00 0.00 N ATOM 1697 CA ALA A 109 10.656 9.325 -1.568 1.00 0.00 C ATOM 1698 C ALA A 109 11.735 8.278 -1.794 1.00 0.00 C ATOM 1699 O ALA A 109 12.055 7.933 -2.929 1.00 0.00 O ATOM 1700 CB ALA A 109 11.271 10.639 -1.118 1.00 0.00 C ATOM 0 H ALA A 109 9.552 9.498 0.197 1.00 0.00 H new ATOM 0 HA ALA A 109 10.139 9.490 -2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.993 10.977 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.487 11.388 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.775 10.496 -0.162 1.00 0.00 H new ATOM 1706 N ASP A 110 12.244 7.730 -0.701 1.00 0.00 N ATOM 1707 CA ASP A 110 13.324 6.756 -0.759 1.00 0.00 C ATOM 1708 C ASP A 110 12.820 5.399 -1.232 1.00 0.00 C ATOM 1709 O ASP A 110 13.603 4.480 -1.474 1.00 0.00 O ATOM 1710 CB ASP A 110 13.987 6.615 0.611 1.00 0.00 C ATOM 1711 CG ASP A 110 14.710 7.874 1.032 1.00 0.00 C ATOM 1712 OD1 ASP A 110 14.056 8.798 1.553 1.00 0.00 O ATOM 1713 OD2 ASP A 110 15.942 7.948 0.838 1.00 0.00 O1- ATOM 0 H ASP A 110 11.924 7.945 0.243 1.00 0.00 H new ATOM 0 HA ASP A 110 14.059 7.117 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.229 6.368 1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.693 5.785 0.587 1.00 0.00 H new ATOM 1718 N ALA A 111 11.510 5.287 -1.369 1.00 0.00 N ATOM 1719 CA ALA A 111 10.879 4.037 -1.754 1.00 0.00 C ATOM 1720 C ALA A 111 10.562 4.007 -3.243 1.00 0.00 C ATOM 1721 O ALA A 111 10.403 2.938 -3.828 1.00 0.00 O ATOM 1722 CB ALA A 111 9.609 3.835 -0.945 1.00 0.00 C ATOM 0 H ALA A 111 10.857 6.056 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 111 11.577 3.226 -1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 111 9.138 2.896 -1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 111 9.855 3.804 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.922 4.660 -1.134 1.00 0.00 H new ATOM 1728 N TYR A 112 10.468 5.178 -3.864 1.00 0.00 N ATOM 1729 CA TYR A 112 10.086 5.242 -5.267 1.00 0.00 C ATOM 1730 C TYR A 112 11.089 5.975 -6.124 1.00 0.00 C ATOM 1731 O TYR A 112 10.776 6.402 -7.237 1.00 0.00 O ATOM 1732 CB TYR A 112 8.686 5.794 -5.473 1.00 0.00 C ATOM 1733 CG TYR A 112 8.353 7.118 -4.832 1.00 0.00 C ATOM 1734 CD1 TYR A 112 9.220 8.200 -4.856 1.00 0.00 C ATOM 1735 CD2 TYR A 112 7.126 7.275 -4.213 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.868 9.402 -4.270 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.763 8.462 -3.633 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.636 9.529 -3.660 1.00 0.00 C ATOM 1739 OH TYR A 112 7.283 10.725 -3.080 1.00 0.00 O ATOM 0 H TYR A 112 10.648 6.081 -3.425 1.00 0.00 H new ATOM 0 HA TYR A 112 10.079 4.205 -5.603 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.517 5.889 -6.546 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.976 5.054 -5.103 1.00 0.00 H new ATOM 0 HD1 TYR A 112 10.182 8.103 -5.338 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.438 6.443 -4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.553 10.237 -4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.799 8.561 -3.157 1.00 0.00 H new ATOM 0 HH TYR A 112 6.385 10.650 -2.695 1.00 0.00 H new ATOM 1749 N VAL A 113 12.283 6.125 -5.610 1.00 0.00 N ATOM 1750 CA VAL A 113 13.359 6.697 -6.405 1.00 0.00 C ATOM 1751 C VAL A 113 13.776 5.688 -7.471 1.00 0.00 C ATOM 1752 O VAL A 113 14.662 4.855 -7.270 1.00 0.00 O ATOM 1753 CB VAL A 113 14.584 7.116 -5.557 1.00 0.00 C ATOM 1754 CG1 VAL A 113 14.350 8.485 -4.946 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.884 6.095 -4.466 1.00 0.00 C ATOM 0 H VAL A 113 12.541 5.865 -4.658 1.00 0.00 H new ATOM 0 HA VAL A 113 12.980 7.609 -6.866 1.00 0.00 H new ATOM 0 HB VAL A 113 15.450 7.160 -6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 113 15.217 8.771 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.197 9.216 -5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.467 8.452 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.750 6.422 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 113 14.022 6.005 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 113 15.095 5.127 -4.921 1.00 0.00 H new ATOM 1765 N ASN A 114 13.090 5.811 -8.607 1.00 0.00 N ATOM 1766 CA ASN A 114 13.163 4.894 -9.749 1.00 0.00 C ATOM 1767 C ASN A 114 11.876 5.047 -10.557 1.00 0.00 C ATOM 1768 O ASN A 114 11.776 4.592 -11.692 1.00 0.00 O ATOM 1769 CB ASN A 114 13.342 3.413 -9.337 1.00 0.00 C ATOM 1770 CG ASN A 114 12.092 2.742 -8.763 1.00 0.00 C ATOM 1771 OD1 ASN A 114 11.857 1.560 -9.008 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.303 3.467 -7.977 1.00 0.00 N ATOM 0 H ASN A 114 12.442 6.582 -8.765 1.00 0.00 H new ATOM 0 HA ASN A 114 14.044 5.157 -10.334 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.671 2.847 -10.208 1.00 0.00 H new ATOM 0 HB3 ASN A 114 14.140 3.352 -8.597 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.475 3.045 -7.557 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.526 4.445 -7.793 1.00 0.00 H new ATOM 1779 N GLY A 115 10.892 5.706 -9.942 1.00 0.00 N ATOM 1780 CA GLY A 115 9.615 5.936 -10.582 1.00 0.00 C ATOM 1781 C GLY A 115 8.557 6.393 -9.594 1.00 0.00 C ATOM 1782 O GLY A 115 8.400 7.587 -9.345 1.00 0.00 O ATOM 0 H GLY A 115 10.965 6.087 -8.999 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.731 6.688 -11.362 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.284 5.019 -11.070 1.00 0.00 H new ATOM 1786 N THR A 116 7.837 5.436 -9.027 1.00 0.00 N ATOM 1787 CA THR A 116 6.760 5.706 -8.086 1.00 0.00 C ATOM 1788 C THR A 116 6.491 4.429 -7.286 1.00 0.00 C ATOM 1789 O THR A 116 7.092 3.393 -7.576 1.00 0.00 O ATOM 1790 CB THR A 116 5.472 6.169 -8.800 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.761 6.620 -10.128 1.00 0.00 O ATOM 1792 CG2 THR A 116 4.826 7.304 -8.029 1.00 0.00 C ATOM 0 H THR A 116 7.985 4.443 -9.208 1.00 0.00 H new ATOM 0 HA THR A 116 7.064 6.517 -7.425 1.00 0.00 H new ATOM 0 HB THR A 116 4.792 5.318 -8.848 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.932 6.907 -10.564 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.919 7.622 -8.542 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.575 6.965 -7.024 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.520 8.142 -7.966 1.00 0.00 H new ATOM 1800 N VAL A 117 5.605 4.479 -6.293 1.00 0.00 N ATOM 1801 CA VAL A 117 5.390 3.320 -5.437 1.00 0.00 C ATOM 1802 C VAL A 117 4.123 2.586 -5.821 1.00 0.00 C ATOM 1803 O VAL A 117 3.021 3.122 -5.734 1.00 0.00 O ATOM 1804 CB VAL A 117 5.314 3.675 -3.927 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.683 4.045 -3.387 1.00 0.00 C ATOM 1806 CG2 VAL A 117 4.309 4.793 -3.657 1.00 0.00 C ATOM 0 H VAL A 117 5.035 5.294 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 117 6.261 2.684 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 117 4.965 2.785 -3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.602 4.289 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.364 3.204 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 117 7.067 4.908 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.286 5.011 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.605 5.688 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.318 4.478 -3.985 1.00 0.00 H new ATOM 1816 N GLU A 118 4.309 1.369 -6.295 1.00 0.00 N ATOM 1817 CA GLU A 118 3.209 0.473 -6.566 1.00 0.00 C ATOM 1818 C GLU A 118 3.338 -0.716 -5.629 1.00 0.00 C ATOM 1819 O GLU A 118 4.288 -1.494 -5.733 1.00 0.00 O ATOM 1820 CB GLU A 118 3.242 0.034 -8.036 1.00 0.00 C ATOM 1821 CG GLU A 118 1.938 -0.560 -8.555 1.00 0.00 C ATOM 1822 CD GLU A 118 1.632 -1.931 -7.987 1.00 0.00 C ATOM 1823 OE1 GLU A 118 2.117 -2.936 -8.554 1.00 0.00 O ATOM 1824 OE2 GLU A 118 0.898 -2.008 -6.989 1.00 0.00 O1- ATOM 0 H GLU A 118 5.228 0.977 -6.502 1.00 0.00 H new ATOM 0 HA GLU A 118 2.252 0.967 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.503 0.895 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.036 -0.702 -8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.118 0.116 -8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.986 -0.628 -9.642 1.00 0.00 H new ATOM 1831 N LEU A 119 2.405 -0.839 -4.704 1.00 0.00 N ATOM 1832 CA LEU A 119 2.478 -1.875 -3.696 1.00 0.00 C ATOM 1833 C LEU A 119 1.086 -2.393 -3.369 1.00 0.00 C ATOM 1834 O LEU A 119 0.096 -1.675 -3.519 1.00 0.00 O ATOM 1835 CB LEU A 119 3.183 -1.337 -2.442 1.00 0.00 C ATOM 1836 CG LEU A 119 2.439 -0.240 -1.667 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.751 -0.828 -0.452 1.00 0.00 C ATOM 1838 CD2 LEU A 119 3.395 0.868 -1.255 1.00 0.00 C ATOM 0 H LEU A 119 1.588 -0.233 -4.631 1.00 0.00 H new ATOM 0 HA LEU A 119 3.062 -2.711 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.364 -2.172 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.158 -0.948 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 119 1.680 0.190 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.228 -0.039 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.035 -1.586 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.494 -1.283 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.848 1.635 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 119 4.177 0.455 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.846 1.309 -2.144 1.00 0.00 H new ATOM 1850 N THR A 120 1.016 -3.642 -2.936 1.00 0.00 N ATOM 1851 CA THR A 120 -0.256 -4.278 -2.658 1.00 0.00 C ATOM 1852 C THR A 120 -0.684 -4.076 -1.211 1.00 0.00 C ATOM 1853 O THR A 120 0.046 -4.416 -0.276 1.00 0.00 O ATOM 1854 CB THR A 120 -0.201 -5.784 -2.955 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.147 -5.996 -4.329 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.544 -6.429 -2.648 1.00 0.00 C ATOM 0 H THR A 120 1.830 -4.234 -2.770 1.00 0.00 H new ATOM 0 HA THR A 120 -0.988 -3.805 -3.312 1.00 0.00 H new ATOM 0 HB THR A 120 0.558 -6.243 -2.322 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.182 -6.958 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.492 -7.496 -2.863 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.786 -6.282 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.317 -5.972 -3.266 1.00 0.00 H new ATOM 1864 N LEU A 121 -1.876 -3.533 -1.042 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.466 -3.352 0.272 1.00 0.00 C ATOM 1866 C LEU A 121 -3.852 -3.975 0.306 1.00 0.00 C ATOM 1867 O LEU A 121 -4.707 -3.656 -0.523 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.545 -1.865 0.633 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.201 -1.198 0.931 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.389 0.267 1.291 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.493 -1.937 2.053 1.00 0.00 C ATOM 0 H LEU A 121 -2.462 -3.206 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.833 -3.848 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.023 -1.332 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.190 -1.752 1.504 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.585 -1.245 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.419 0.718 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.861 0.789 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.022 0.346 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.463 -1.456 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.111 -1.915 2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.322 -2.972 1.756 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.089 -4.902 1.237 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.396 -5.523 1.394 1.00 0.00 C ATOM 1885 C PRO A 122 -6.410 -4.540 1.963 1.00 0.00 C ATOM 1886 O PRO A 122 -6.227 -4.009 3.059 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.148 -6.671 2.386 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.663 -6.782 2.516 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.114 -5.422 2.201 1.00 0.00 C ATOM 0 HA PRO A 122 -5.806 -5.863 0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.611 -6.461 3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.580 -7.603 2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.382 -7.092 3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.267 -7.531 1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.048 -4.795 3.090 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.112 -5.477 1.775 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.470 -4.292 1.216 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.533 -3.430 1.681 1.00 0.00 C ATOM 1899 C ILE A 123 -9.617 -4.301 2.315 1.00 0.00 C ATOM 1900 O ILE A 123 -10.424 -4.934 1.630 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.114 -2.547 0.534 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -9.792 -3.382 -0.548 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.005 -1.720 -0.108 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.667 -2.568 -1.476 1.00 0.00 C ATOM 0 H ILE A 123 -7.615 -4.678 0.283 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.133 -2.738 2.422 1.00 0.00 H new ATOM 0 HB ILE A 123 -9.862 -1.895 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.028 -3.892 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.398 -4.154 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.424 -1.108 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.551 -1.074 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.247 -2.386 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.118 -3.225 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.453 -2.079 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.062 -1.813 -1.977 1.00 0.00 H new ATOM 1916 N ASP A 124 -9.612 -4.392 3.632 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.520 -5.311 4.283 1.00 0.00 C ATOM 1918 C ASP A 124 -11.761 -4.607 4.807 1.00 0.00 C ATOM 1919 O ASP A 124 -11.692 -3.612 5.538 1.00 0.00 O ATOM 1920 CB ASP A 124 -9.819 -6.071 5.417 1.00 0.00 C ATOM 1921 CG ASP A 124 -9.422 -5.187 6.584 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -8.365 -4.522 6.508 1.00 0.00 O1- ATOM 1923 OD2 ASP A 124 -10.161 -5.160 7.588 1.00 0.00 O ATOM 0 H ASP A 124 -9.007 -3.857 4.255 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.839 -6.030 3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.479 -6.860 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.928 -6.558 5.021 1.00 0.00 H new ATOM 1928 N PHE A 125 -12.891 -5.099 4.351 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.172 -4.847 4.972 1.00 0.00 C ATOM 1930 C PHE A 125 -14.671 -6.191 5.485 1.00 0.00 C ATOM 1931 O PHE A 125 -14.734 -7.141 4.709 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.157 -4.243 3.961 1.00 0.00 C ATOM 1933 CG PHE A 125 -14.663 -2.990 3.290 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -13.835 -3.066 2.180 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -15.032 -1.744 3.760 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -13.383 -1.919 1.553 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -14.583 -0.593 3.140 1.00 0.00 C ATOM 1938 CZ PHE A 125 -13.757 -0.681 2.035 1.00 0.00 C ATOM 0 H PHE A 125 -12.947 -5.695 3.525 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.082 -4.128 5.786 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.378 -4.988 3.197 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.095 -4.023 4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -13.539 -4.033 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -15.679 -1.669 4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.739 -1.992 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -14.877 0.375 3.519 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.405 0.217 1.550 1.00 0.00 H new ATOM 1948 N SER A 126 -15.000 -6.297 6.763 1.00 0.00 N ATOM 1949 CA SER A 126 -15.326 -7.597 7.347 1.00 0.00 C ATOM 1950 C SER A 126 -16.490 -8.265 6.606 1.00 0.00 C ATOM 1951 O SER A 126 -17.649 -7.870 6.739 1.00 0.00 O ATOM 1952 CB SER A 126 -15.628 -7.449 8.839 1.00 0.00 C ATOM 1953 OG SER A 126 -16.530 -6.385 9.084 1.00 0.00 O ATOM 0 H SER A 126 -15.049 -5.512 7.412 1.00 0.00 H new ATOM 0 HA SER A 126 -14.458 -8.248 7.237 1.00 0.00 H new ATOM 0 HB2 SER A 126 -16.049 -8.379 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 126 -14.700 -7.273 9.383 1.00 0.00 H new ATOM 0 HG SER A 126 -16.704 -6.318 10.046 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.150 -9.272 5.804 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.106 -9.929 4.927 1.00 0.00 C ATOM 1961 C LEU A 127 -17.891 -10.992 5.684 1.00 0.00 C ATOM 1962 O LEU A 127 -17.401 -12.099 5.900 1.00 0.00 O ATOM 1963 CB LEU A 127 -16.372 -10.574 3.742 1.00 0.00 C ATOM 1964 CG LEU A 127 -17.099 -10.524 2.389 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -16.280 -11.228 1.318 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.488 -11.134 2.479 1.00 0.00 C ATOM 0 H LEU A 127 -15.205 -9.652 5.747 1.00 0.00 H new ATOM 0 HA LEU A 127 -17.804 -9.178 4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.405 -10.085 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -16.175 -11.618 3.987 1.00 0.00 H new ATOM 0 HG LEU A 127 -17.213 -9.476 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.810 -11.183 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.312 -10.736 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -16.130 -12.270 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.972 -11.081 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -18.408 -12.176 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -19.081 -10.583 3.209 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.097 -10.643 6.098 1.00 0.00 N ATOM 1979 CA ARG A 128 -19.991 -11.592 6.729 1.00 0.00 C ATOM 1980 C ARG A 128 -20.697 -12.440 5.679 1.00 0.00 C ATOM 1981 O ARG A 128 -20.750 -13.663 5.796 1.00 0.00 O ATOM 1982 CB ARG A 128 -21.006 -10.858 7.596 1.00 0.00 C ATOM 1983 CG ARG A 128 -20.400 -10.231 8.839 1.00 0.00 C ATOM 1984 CD ARG A 128 -21.457 -9.571 9.703 1.00 0.00 C ATOM 1985 NE ARG A 128 -22.510 -10.506 10.094 1.00 0.00 N ATOM 1986 CZ ARG A 128 -23.381 -10.275 11.071 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -23.287 -9.174 11.801 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -24.344 -11.147 11.328 1.00 0.00 N ATOM 0 H ARG A 128 -19.479 -9.702 6.006 1.00 0.00 H new ATOM 0 HA ARG A 128 -19.405 -12.256 7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.484 -10.079 7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -21.788 -11.556 7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -19.882 -10.996 9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -19.654 -9.492 8.548 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -20.989 -9.159 10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -21.898 -8.735 9.160 1.00 0.00 H new ATOM 0 HE ARG A 128 -22.581 -11.388 9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -22.544 -8.500 11.614 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -23.957 -9.000 12.550 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -24.420 -12.001 10.775 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -25.010 -10.965 12.079 1.00 0.00 H new