USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=17 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 Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 145:sc= 1.07 USER MOD Single : A 46 ASN : amide:sc= -0.038 K(o=-0.038,f=-1.9!) USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.0593 (180deg=-0.403) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -121:sc= -0.677! (180deg=-1.27!) USER MOD Single : A 59 LYS NZ :NH3+ -166:sc= -0.0177 (180deg=-0.223) USER MOD Single : A 61 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.7!) USER MOD Single : A 65 GLN : amide:sc= -0.214 K(o=-0.21,f=-2.1!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 73 GLN : amide:sc= -0.0631 X(o=-0.063,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.509 K(o=-0.51,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.381 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -4.99! C(o=-5!,f=-11!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 60:sc= 0.669 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 30:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.14) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 507 N TRP A 37 0.743 2.521 9.070 1.00 0.00 N ATOM 508 CA TRP A 37 0.609 3.384 7.903 1.00 0.00 C ATOM 509 C TRP A 37 -0.780 3.255 7.281 1.00 0.00 C ATOM 510 O TRP A 37 -1.293 4.202 6.694 1.00 0.00 O ATOM 511 CB TRP A 37 1.702 3.075 6.863 1.00 0.00 C ATOM 512 CG TRP A 37 1.705 1.663 6.334 1.00 0.00 C ATOM 513 CD1 TRP A 37 1.367 0.519 7.003 1.00 0.00 C ATOM 514 CD2 TRP A 37 2.099 1.254 5.019 1.00 0.00 C ATOM 515 NE1 TRP A 37 1.511 -0.570 6.180 1.00 0.00 N ATOM 516 CE2 TRP A 37 1.963 -0.148 4.957 1.00 0.00 C ATOM 517 CE3 TRP A 37 2.551 1.936 3.887 1.00 0.00 C ATOM 518 CZ2 TRP A 37 2.267 -0.876 3.810 1.00 0.00 C ATOM 519 CZ3 TRP A 37 2.850 1.213 2.747 1.00 0.00 C ATOM 520 CH2 TRP A 37 2.705 -0.181 2.716 1.00 0.00 C ATOM 0 HA TRP A 37 0.736 4.415 8.234 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.586 3.760 6.023 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.675 3.280 7.310 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.035 0.478 8.030 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.314 -1.537 6.437 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.665 3.010 3.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.161 -1.950 3.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.201 1.730 1.866 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.944 -0.717 1.810 1.00 0.00 H new ATOM 531 N ARG A 38 -1.399 2.089 7.457 1.00 0.00 N ATOM 532 CA ARG A 38 -2.733 1.838 6.925 1.00 0.00 C ATOM 533 C ARG A 38 -3.770 2.688 7.650 1.00 0.00 C ATOM 534 O ARG A 38 -4.748 3.131 7.052 1.00 0.00 O ATOM 535 CB ARG A 38 -3.098 0.353 7.034 1.00 0.00 C ATOM 536 CG ARG A 38 -2.958 -0.215 8.440 1.00 0.00 C ATOM 537 CD ARG A 38 -4.301 -0.634 9.022 1.00 0.00 C ATOM 538 NE ARG A 38 -4.816 -1.859 8.413 1.00 0.00 N ATOM 539 CZ ARG A 38 -5.418 -2.833 9.102 1.00 0.00 C ATOM 540 NH1 ARG A 38 -5.647 -2.694 10.405 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -5.815 -3.934 8.479 1.00 0.00 N ATOM 0 H ARG A 38 -0.995 1.303 7.966 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.729 2.114 5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.126 0.216 6.698 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.463 -0.218 6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.288 -1.075 8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.499 0.531 9.088 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.197 -0.782 10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.022 0.170 8.879 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.710 -1.977 7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.363 -1.840 10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.107 -3.442 10.925 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.661 -4.036 7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.275 -4.679 9.003 1.00 0.00 H new ATOM 555 N SER A 39 -3.542 2.920 8.936 1.00 0.00 N ATOM 556 CA SER A 39 -4.420 3.764 9.724 1.00 0.00 C ATOM 557 C SER A 39 -4.318 5.201 9.228 1.00 0.00 C ATOM 558 O SER A 39 -5.308 5.933 9.179 1.00 0.00 O ATOM 559 CB SER A 39 -4.041 3.677 11.204 1.00 0.00 C ATOM 560 OG SER A 39 -3.979 2.323 11.631 1.00 0.00 O ATOM 0 H SER A 39 -2.753 2.533 9.454 1.00 0.00 H new ATOM 0 HA SER A 39 -5.450 3.423 9.614 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.077 4.158 11.366 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.772 4.219 11.804 1.00 0.00 H new ATOM 0 HG SER A 39 -3.734 2.290 12.579 1.00 0.00 H new ATOM 566 N ARG A 40 -3.111 5.584 8.825 1.00 0.00 N ATOM 567 CA ARG A 40 -2.866 6.890 8.277 1.00 0.00 C ATOM 568 C ARG A 40 -3.501 7.001 6.895 1.00 0.00 C ATOM 569 O ARG A 40 -4.096 8.020 6.547 1.00 0.00 O ATOM 570 CB ARG A 40 -1.364 7.115 8.179 1.00 0.00 C ATOM 571 CG ARG A 40 -0.589 6.728 9.430 1.00 0.00 C ATOM 572 CD ARG A 40 -1.029 7.533 10.642 1.00 0.00 C ATOM 573 NE ARG A 40 -0.184 7.261 11.804 1.00 0.00 N ATOM 574 CZ ARG A 40 0.027 8.130 12.787 1.00 0.00 C ATOM 575 NH1 ARG A 40 -0.626 9.283 12.805 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 0.870 7.836 13.765 1.00 0.00 N ATOM 0 H ARG A 40 -2.283 4.990 8.874 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.306 7.647 8.926 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.977 6.544 7.335 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.180 8.167 7.963 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.729 5.666 9.630 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.476 6.882 9.259 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.993 8.597 10.406 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.065 7.295 10.881 1.00 0.00 H new ATOM 0 HE ARG A 40 0.271 6.350 11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.291 9.504 12.064 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.463 9.949 13.560 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.359 6.941 13.765 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.030 8.505 14.518 1.00 0.00 H new ATOM 590 N ILE A 41 -3.356 5.937 6.111 1.00 0.00 N ATOM 591 CA ILE A 41 -3.957 5.861 4.786 1.00 0.00 C ATOM 592 C ILE A 41 -5.474 5.994 4.887 1.00 0.00 C ATOM 593 O ILE A 41 -6.094 6.722 4.114 1.00 0.00 O ATOM 594 CB ILE A 41 -3.604 4.523 4.093 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.108 4.471 3.774 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.430 4.324 2.825 1.00 0.00 C ATOM 597 CD1 ILE A 41 -1.640 3.135 3.247 1.00 0.00 C ATOM 0 H ILE A 41 -2.822 5.109 6.375 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.557 6.681 4.189 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.845 3.711 4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.876 5.242 3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.546 4.712 4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.160 3.376 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.490 4.315 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.231 5.139 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.570 3.178 3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.838 2.362 3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.174 2.900 2.326 1.00 0.00 H new ATOM 609 N SER A 42 -6.057 5.294 5.858 1.00 0.00 N ATOM 610 CA SER A 42 -7.495 5.352 6.102 1.00 0.00 C ATOM 611 C SER A 42 -7.950 6.796 6.330 1.00 0.00 C ATOM 612 O SER A 42 -9.024 7.197 5.875 1.00 0.00 O ATOM 613 CB SER A 42 -7.858 4.476 7.311 1.00 0.00 C ATOM 614 OG SER A 42 -9.265 4.381 7.483 1.00 0.00 O ATOM 0 H SER A 42 -5.551 4.676 6.492 1.00 0.00 H new ATOM 0 HA SER A 42 -8.012 4.970 5.222 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.439 3.479 7.178 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.408 4.893 8.212 1.00 0.00 H new ATOM 0 HG SER A 42 -9.495 3.487 7.812 1.00 0.00 H new ATOM 620 N GLY A 43 -7.121 7.577 7.016 1.00 0.00 N ATOM 621 CA GLY A 43 -7.431 8.976 7.243 1.00 0.00 C ATOM 622 C GLY A 43 -7.352 9.793 5.965 1.00 0.00 C ATOM 623 O GLY A 43 -8.159 10.692 5.740 1.00 0.00 O ATOM 0 H GLY A 43 -6.238 7.264 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.432 9.061 7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.738 9.386 7.978 1.00 0.00 H new ATOM 627 N ARG A 44 -6.384 9.469 5.121 1.00 0.00 N ATOM 628 CA ARG A 44 -6.215 10.136 3.852 1.00 0.00 C ATOM 629 C ARG A 44 -7.348 9.775 2.901 1.00 0.00 C ATOM 630 O ARG A 44 -7.772 10.584 2.084 1.00 0.00 O ATOM 631 CB ARG A 44 -4.883 9.732 3.249 1.00 0.00 C ATOM 632 CG ARG A 44 -3.773 10.753 3.418 1.00 0.00 C ATOM 633 CD ARG A 44 -3.208 10.746 4.828 1.00 0.00 C ATOM 634 NE ARG A 44 -4.092 11.387 5.800 1.00 0.00 N ATOM 635 CZ ARG A 44 -3.872 11.390 7.114 1.00 0.00 C ATOM 636 NH1 ARG A 44 -2.798 10.791 7.611 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -4.723 12.000 7.923 1.00 0.00 N ATOM 0 H ARG A 44 -5.698 8.736 5.302 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.234 11.214 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.565 8.792 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.024 9.542 2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.975 10.543 2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.155 11.747 3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.025 9.716 5.135 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.244 11.255 4.830 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.926 11.860 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.138 10.327 6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.632 10.795 8.617 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.545 12.467 7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.557 12.004 8.929 1.00 0.00 H new ATOM 651 N LEU A 45 -7.820 8.546 3.011 1.00 0.00 N ATOM 652 CA LEU A 45 -8.930 8.068 2.204 1.00 0.00 C ATOM 653 C LEU A 45 -10.208 8.788 2.618 1.00 0.00 C ATOM 654 O LEU A 45 -11.122 8.978 1.828 1.00 0.00 O ATOM 655 CB LEU A 45 -9.071 6.561 2.402 1.00 0.00 C ATOM 656 CG LEU A 45 -9.416 5.757 1.152 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.127 4.287 1.393 1.00 0.00 C ATOM 658 CD2 LEU A 45 -10.875 5.951 0.764 1.00 0.00 C ATOM 0 H LEU A 45 -7.447 7.853 3.660 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.746 8.273 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.136 6.178 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.843 6.382 3.151 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.799 6.115 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.375 3.716 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.070 4.157 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.729 3.930 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.095 5.367 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.516 5.619 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.061 7.006 0.563 1.00 0.00 H new ATOM 670 N ASN A 46 -10.220 9.213 3.868 1.00 0.00 N ATOM 671 CA ASN A 46 -11.336 9.951 4.451 1.00 0.00 C ATOM 672 C ASN A 46 -11.391 11.337 3.842 1.00 0.00 C ATOM 673 O ASN A 46 -12.464 11.899 3.624 1.00 0.00 O ATOM 674 CB ASN A 46 -11.168 10.031 5.972 1.00 0.00 C ATOM 675 CG ASN A 46 -12.167 10.957 6.642 1.00 0.00 C ATOM 676 OD1 ASN A 46 -13.266 10.546 7.013 1.00 0.00 O ATOM 677 ND2 ASN A 46 -11.778 12.205 6.832 1.00 0.00 N ATOM 0 H ASN A 46 -9.449 9.056 4.517 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.272 9.435 4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.271 9.031 6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.158 10.372 6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.397 12.866 7.301 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.859 12.507 6.510 1.00 0.00 H new ATOM 684 N ARG A 47 -10.209 11.869 3.563 1.00 0.00 N ATOM 685 CA ARG A 47 -10.059 13.117 2.848 1.00 0.00 C ATOM 686 C ARG A 47 -10.783 13.058 1.506 1.00 0.00 C ATOM 687 O ARG A 47 -11.273 14.073 1.010 1.00 0.00 O ATOM 688 CB ARG A 47 -8.565 13.400 2.671 1.00 0.00 C ATOM 689 CG ARG A 47 -8.101 13.601 1.231 1.00 0.00 C ATOM 690 CD ARG A 47 -6.596 13.819 1.179 1.00 0.00 C ATOM 691 NE ARG A 47 -6.097 13.961 -0.188 1.00 0.00 N ATOM 692 CZ ARG A 47 -4.808 13.871 -0.526 1.00 0.00 C ATOM 693 NH1 ARG A 47 -3.876 13.684 0.403 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -4.445 13.989 -1.796 1.00 0.00 N ATOM 0 H ARG A 47 -9.324 11.439 3.831 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.510 13.930 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.311 14.292 3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.002 12.573 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.369 12.731 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.613 14.458 0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.342 14.712 1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.094 12.980 1.660 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.775 14.140 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.142 13.608 1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.894 13.617 0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.150 14.149 -2.515 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.460 13.920 -2.054 1.00 0.00 H new ATOM 708 N PHE A 48 -10.872 11.863 0.929 1.00 0.00 N ATOM 709 CA PHE A 48 -11.571 11.704 -0.330 1.00 0.00 C ATOM 710 C PHE A 48 -13.009 11.243 -0.117 1.00 0.00 C ATOM 711 O PHE A 48 -13.951 11.940 -0.493 1.00 0.00 O ATOM 712 CB PHE A 48 -10.861 10.696 -1.230 1.00 0.00 C ATOM 713 CG PHE A 48 -9.494 11.112 -1.691 1.00 0.00 C ATOM 714 CD1 PHE A 48 -9.347 12.018 -2.727 1.00 0.00 C ATOM 715 CD2 PHE A 48 -8.356 10.580 -1.102 1.00 0.00 C ATOM 716 CE1 PHE A 48 -8.092 12.390 -3.167 1.00 0.00 C ATOM 717 CE2 PHE A 48 -7.098 10.944 -1.540 1.00 0.00 C ATOM 718 CZ PHE A 48 -6.966 11.851 -2.574 1.00 0.00 C ATOM 0 H PHE A 48 -10.473 11.005 1.311 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.576 12.682 -0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.776 9.750 -0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.483 10.512 -2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.224 12.439 -3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.455 9.873 -0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.991 13.101 -3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.220 10.521 -1.076 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.984 12.139 -2.919 1.00 0.00 H new ATOM 728 N LYS A 49 -13.168 10.089 0.519 1.00 0.00 N ATOM 729 CA LYS A 49 -14.480 9.487 0.748 1.00 0.00 C ATOM 730 C LYS A 49 -14.410 8.505 1.908 1.00 0.00 C ATOM 731 O LYS A 49 -13.672 7.520 1.852 1.00 0.00 O ATOM 732 CB LYS A 49 -14.982 8.720 -0.484 1.00 0.00 C ATOM 733 CG LYS A 49 -15.379 9.583 -1.666 1.00 0.00 C ATOM 734 CD LYS A 49 -15.986 8.739 -2.770 1.00 0.00 C ATOM 735 CE LYS A 49 -16.303 9.570 -3.998 1.00 0.00 C ATOM 736 NZ LYS A 49 -15.086 10.208 -4.565 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.392 9.542 0.892 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.167 10.304 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.202 8.030 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.841 8.116 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.095 10.340 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.505 10.112 -2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.295 7.940 -3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.897 8.264 -2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.767 8.937 -4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.029 10.340 -3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.284 10.535 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.812 11.019 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.309 9.517 -4.585 1.00 0.00 H new ATOM 750 N ARG A 50 -15.173 8.755 2.953 1.00 0.00 N ATOM 751 CA ARG A 50 -15.251 7.807 4.047 1.00 0.00 C ATOM 752 C ARG A 50 -16.693 7.630 4.488 1.00 0.00 C ATOM 753 O ARG A 50 -17.259 8.473 5.185 1.00 0.00 O ATOM 754 CB ARG A 50 -14.380 8.249 5.220 1.00 0.00 C ATOM 755 CG ARG A 50 -13.515 7.131 5.781 1.00 0.00 C ATOM 756 CD ARG A 50 -12.521 6.633 4.744 1.00 0.00 C ATOM 757 NE ARG A 50 -11.631 5.607 5.283 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.295 4.499 4.630 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.792 4.265 3.420 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -10.458 3.631 5.183 1.00 0.00 N ATOM 0 H ARG A 50 -15.741 9.594 3.068 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.873 6.847 3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.738 9.069 4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.020 8.637 6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.979 7.488 6.660 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.148 6.306 6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.062 6.229 3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.928 7.472 4.379 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.244 5.750 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.431 4.935 2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.534 3.415 2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.072 3.814 6.109 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.200 2.781 4.682 1.00 0.00 H new ATOM 774 N TYR A 51 -17.270 6.522 4.066 1.00 0.00 N ATOM 775 CA TYR A 51 -18.631 6.167 4.410 1.00 0.00 C ATOM 776 C TYR A 51 -18.625 5.423 5.749 1.00 0.00 C ATOM 777 O TYR A 51 -17.804 4.527 5.942 1.00 0.00 O ATOM 778 CB TYR A 51 -19.183 5.278 3.294 1.00 0.00 C ATOM 779 CG TYR A 51 -20.671 5.392 3.065 1.00 0.00 C ATOM 780 CD1 TYR A 51 -21.579 4.723 3.870 1.00 0.00 C ATOM 781 CD2 TYR A 51 -21.163 6.170 2.026 1.00 0.00 C ATOM 782 CE1 TYR A 51 -22.937 4.822 3.644 1.00 0.00 C ATOM 783 CE2 TYR A 51 -22.518 6.270 1.791 1.00 0.00 C ATOM 784 CZ TYR A 51 -23.402 5.596 2.604 1.00 0.00 C ATOM 785 OH TYR A 51 -24.754 5.687 2.366 1.00 0.00 O ATOM 0 H TYR A 51 -16.803 5.838 3.470 1.00 0.00 H new ATOM 0 HA TYR A 51 -19.259 7.052 4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.668 5.524 2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -18.945 4.240 3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -21.219 4.115 4.687 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.473 6.706 1.391 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -23.632 4.295 4.280 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -22.884 6.874 0.974 1.00 0.00 H new ATOM 0 HH TYR A 51 -24.912 6.274 1.597 1.00 0.00 H new ATOM 795 N PRO A 52 -19.502 5.800 6.696 1.00 0.00 N ATOM 796 CA PRO A 52 -19.546 5.181 8.035 1.00 0.00 C ATOM 797 C PRO A 52 -19.788 3.674 7.971 1.00 0.00 C ATOM 798 O PRO A 52 -20.737 3.220 7.334 1.00 0.00 O ATOM 799 CB PRO A 52 -20.728 5.885 8.711 1.00 0.00 C ATOM 800 CG PRO A 52 -20.895 7.162 7.965 1.00 0.00 C ATOM 801 CD PRO A 52 -20.509 6.862 6.547 1.00 0.00 C ATOM 0 HA PRO A 52 -18.602 5.294 8.568 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.631 5.277 8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -20.527 6.068 9.767 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.924 7.517 8.023 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -20.264 7.945 8.385 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -21.363 6.528 5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -20.099 7.739 6.046 1.00 0.00 H new ATOM 809 N LYS A 53 -18.948 2.916 8.685 1.00 0.00 N ATOM 810 CA LYS A 53 -18.913 1.451 8.574 1.00 0.00 C ATOM 811 C LYS A 53 -20.241 0.809 8.956 1.00 0.00 C ATOM 812 O LYS A 53 -20.578 -0.260 8.451 1.00 0.00 O ATOM 813 CB LYS A 53 -17.812 0.852 9.459 1.00 0.00 C ATOM 814 CG LYS A 53 -16.391 1.310 9.147 1.00 0.00 C ATOM 815 CD LYS A 53 -15.934 0.917 7.748 1.00 0.00 C ATOM 816 CE LYS A 53 -16.255 1.999 6.729 1.00 0.00 C ATOM 817 NZ LYS A 53 -15.806 3.341 7.192 1.00 0.00 N1+ ATOM 0 H LYS A 53 -18.277 3.296 9.352 1.00 0.00 H new ATOM 0 HA LYS A 53 -18.707 1.236 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -18.033 1.097 10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.852 -0.234 9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -16.333 2.393 9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.708 0.882 9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.860 0.730 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.418 -0.015 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.773 1.761 5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.329 2.018 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.623 3.983 7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.376 3.257 8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.105 3.722 6.525 1.00 0.00 H new ATOM 831 N ASP A 54 -20.984 1.451 9.849 1.00 0.00 N ATOM 832 CA ASP A 54 -22.260 0.905 10.308 1.00 0.00 C ATOM 833 C ASP A 54 -23.208 0.708 9.127 1.00 0.00 C ATOM 834 O ASP A 54 -23.990 -0.242 9.091 1.00 0.00 O ATOM 835 CB ASP A 54 -22.895 1.833 11.346 1.00 0.00 C ATOM 836 CG ASP A 54 -24.104 1.213 12.018 1.00 0.00 C ATOM 837 OD1 ASP A 54 -23.924 0.501 13.030 1.00 0.00 O ATOM 838 OD2 ASP A 54 -25.238 1.437 11.549 1.00 0.00 O1- ATOM 0 H ASP A 54 -20.729 2.345 10.269 1.00 0.00 H new ATOM 0 HA ASP A 54 -22.075 -0.063 10.773 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.153 2.087 12.103 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.190 2.765 10.863 1.00 0.00 H new ATOM 843 N ALA A 55 -23.101 1.600 8.151 1.00 0.00 N ATOM 844 CA ALA A 55 -23.921 1.529 6.951 1.00 0.00 C ATOM 845 C ALA A 55 -23.446 0.419 6.021 1.00 0.00 C ATOM 846 O ALA A 55 -24.253 -0.291 5.423 1.00 0.00 O ATOM 847 CB ALA A 55 -23.910 2.867 6.229 1.00 0.00 C ATOM 0 H ALA A 55 -22.450 2.385 8.168 1.00 0.00 H new ATOM 0 HA ALA A 55 -24.942 1.297 7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -24.527 2.802 5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -24.307 3.639 6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -22.888 3.121 5.948 1.00 0.00 H new ATOM 853 N LEU A 56 -22.130 0.262 5.917 1.00 0.00 N ATOM 854 CA LEU A 56 -21.540 -0.743 5.033 1.00 0.00 C ATOM 855 C LEU A 56 -21.908 -2.142 5.489 1.00 0.00 C ATOM 856 O LEU A 56 -22.226 -3.004 4.677 1.00 0.00 O ATOM 857 CB LEU A 56 -20.012 -0.612 4.972 1.00 0.00 C ATOM 858 CG LEU A 56 -19.464 0.596 4.210 1.00 0.00 C ATOM 859 CD1 LEU A 56 -20.085 0.703 2.834 1.00 0.00 C ATOM 860 CD2 LEU A 56 -19.691 1.872 4.983 1.00 0.00 C ATOM 0 H LEU A 56 -21.449 0.818 6.434 1.00 0.00 H new ATOM 0 HA LEU A 56 -21.943 -0.570 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -19.631 -0.574 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -19.609 -1.516 4.515 1.00 0.00 H new ATOM 0 HG LEU A 56 -18.391 0.448 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -19.676 1.571 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.862 -0.198 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -21.165 0.814 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -19.292 2.715 4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -20.760 2.015 5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -19.185 1.808 5.947 1.00 0.00 H new ATOM 872 N ARG A 57 -21.882 -2.354 6.795 1.00 0.00 N ATOM 873 CA ARG A 57 -22.228 -3.647 7.375 1.00 0.00 C ATOM 874 C ARG A 57 -23.650 -4.070 7.014 1.00 0.00 C ATOM 875 O ARG A 57 -23.977 -5.254 7.043 1.00 0.00 O ATOM 876 CB ARG A 57 -22.071 -3.593 8.891 1.00 0.00 C ATOM 877 CG ARG A 57 -20.646 -3.317 9.328 1.00 0.00 C ATOM 878 CD ARG A 57 -20.541 -3.175 10.833 1.00 0.00 C ATOM 879 NE ARG A 57 -19.156 -3.009 11.264 1.00 0.00 N ATOM 880 CZ ARG A 57 -18.720 -1.986 11.996 1.00 0.00 C ATOM 881 NH1 ARG A 57 -19.566 -1.055 12.413 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -17.440 -1.905 12.327 1.00 0.00 N ATOM 0 H ARG A 57 -21.623 -1.644 7.480 1.00 0.00 H new ATOM 0 HA ARG A 57 -21.547 -4.390 6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -22.725 -2.818 9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -22.400 -4.540 9.319 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.999 -4.127 8.993 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -20.289 -2.405 8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -21.129 -2.317 11.160 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -20.968 -4.056 11.312 1.00 0.00 H new ATOM 0 HE ARG A 57 -18.480 -3.721 10.987 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -20.555 -1.121 12.173 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -19.228 -0.273 12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.787 -2.627 12.021 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.107 -1.121 12.888 1.00 0.00 H new ATOM 896 N LEU A 58 -24.489 -3.099 6.676 1.00 0.00 N ATOM 897 CA LEU A 58 -25.869 -3.381 6.306 1.00 0.00 C ATOM 898 C LEU A 58 -26.052 -3.319 4.792 1.00 0.00 C ATOM 899 O LEU A 58 -27.108 -3.683 4.268 1.00 0.00 O ATOM 900 CB LEU A 58 -26.817 -2.387 6.983 1.00 0.00 C ATOM 901 CG LEU A 58 -26.793 -2.398 8.513 1.00 0.00 C ATOM 902 CD1 LEU A 58 -27.761 -1.365 9.065 1.00 0.00 C ATOM 903 CD2 LEU A 58 -27.131 -3.784 9.046 1.00 0.00 C ATOM 0 H LEU A 58 -24.238 -2.111 6.651 1.00 0.00 H new ATOM 0 HA LEU A 58 -26.107 -4.390 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -26.569 -1.383 6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -27.834 -2.596 6.651 1.00 0.00 H new ATOM 0 HG LEU A 58 -25.786 -2.141 8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -27.732 -1.385 10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -27.475 -0.374 8.713 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -28.771 -1.594 8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -27.108 -3.770 10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -28.126 -4.071 8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -26.400 -4.504 8.677 1.00 0.00 H new ATOM 915 N LYS A 59 -25.024 -2.859 4.092 1.00 0.00 N ATOM 916 CA LYS A 59 -25.094 -2.683 2.647 1.00 0.00 C ATOM 917 C LYS A 59 -24.169 -3.669 1.934 1.00 0.00 C ATOM 918 O LYS A 59 -24.631 -4.588 1.252 1.00 0.00 O ATOM 919 CB LYS A 59 -24.732 -1.238 2.270 1.00 0.00 C ATOM 920 CG LYS A 59 -24.684 -0.986 0.771 1.00 0.00 C ATOM 921 CD LYS A 59 -24.213 0.426 0.449 1.00 0.00 C ATOM 922 CE LYS A 59 -25.219 1.481 0.890 1.00 0.00 C ATOM 923 NZ LYS A 59 -26.509 1.358 0.161 1.00 0.00 N1+ ATOM 0 H LYS A 59 -24.127 -2.600 4.503 1.00 0.00 H new ATOM 0 HA LYS A 59 -26.116 -2.884 2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.460 -0.562 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.761 -0.993 2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -24.015 -1.708 0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.674 -1.145 0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.257 0.610 0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -24.042 0.515 -0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -25.397 1.387 1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.801 2.474 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -27.074 2.219 0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -26.323 1.235 -0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -27.033 0.534 0.519 1.00 0.00 H new ATOM 937 N ARG A 60 -22.865 -3.477 2.086 1.00 0.00 N ATOM 938 CA ARG A 60 -21.889 -4.347 1.454 1.00 0.00 C ATOM 939 C ARG A 60 -20.569 -4.334 2.223 1.00 0.00 C ATOM 940 O ARG A 60 -20.149 -3.303 2.745 1.00 0.00 O ATOM 941 CB ARG A 60 -21.710 -3.979 -0.031 1.00 0.00 C ATOM 942 CG ARG A 60 -21.261 -2.560 -0.289 1.00 0.00 C ATOM 943 CD ARG A 60 -19.790 -2.425 -0.005 1.00 0.00 C ATOM 944 NE ARG A 60 -19.343 -1.042 -0.077 1.00 0.00 N ATOM 945 CZ ARG A 60 -18.207 -0.594 0.439 1.00 0.00 C ATOM 946 NH1 ARG A 60 -17.459 -1.393 1.196 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -17.852 0.670 0.243 1.00 0.00 N ATOM 0 H ARG A 60 -22.461 -2.724 2.643 1.00 0.00 H new ATOM 0 HA ARG A 60 -22.262 -5.371 1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.983 -4.660 -0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -22.656 -4.144 -0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -21.466 -2.288 -1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.826 -1.871 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -19.575 -2.824 0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -19.227 -3.025 -0.720 1.00 0.00 H new ATOM 0 HE ARG A 60 -19.944 -0.372 -0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -17.760 -2.350 1.379 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.585 -1.048 1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.452 1.290 -0.302 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.979 1.022 0.637 1.00 0.00 H new ATOM 961 N GLN A 61 -19.933 -5.490 2.289 1.00 0.00 N ATOM 962 CA GLN A 61 -18.652 -5.644 2.967 1.00 0.00 C ATOM 963 C GLN A 61 -17.759 -6.540 2.121 1.00 0.00 C ATOM 964 O GLN A 61 -18.192 -7.024 1.080 1.00 0.00 O ATOM 965 CB GLN A 61 -18.856 -6.257 4.353 1.00 0.00 C ATOM 966 CG GLN A 61 -19.477 -5.305 5.364 1.00 0.00 C ATOM 967 CD GLN A 61 -18.478 -4.304 5.906 1.00 0.00 C ATOM 968 OE1 GLN A 61 -18.290 -3.225 5.350 1.00 0.00 O ATOM 969 NE2 GLN A 61 -17.827 -4.665 6.999 1.00 0.00 N ATOM 0 H GLN A 61 -20.288 -6.352 1.874 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.182 -4.669 3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -19.492 -7.137 4.260 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -17.893 -6.598 4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.304 -4.771 4.896 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -19.896 -5.880 6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -18.014 -5.571 7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.138 -4.037 7.413 1.00 0.00 H new ATOM 978 N GLY A 62 -16.528 -6.765 2.548 1.00 0.00 N ATOM 979 CA GLY A 62 -15.661 -7.643 1.793 1.00 0.00 C ATOM 980 C GLY A 62 -14.192 -7.333 1.944 1.00 0.00 C ATOM 981 O GLY A 62 -13.803 -6.176 2.088 1.00 0.00 O ATOM 0 H GLY A 62 -16.118 -6.363 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.839 -8.671 2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.928 -7.582 0.738 1.00 0.00 H new ATOM 985 N VAL A 63 -13.376 -8.371 1.899 1.00 0.00 N ATOM 986 CA VAL A 63 -11.937 -8.210 1.972 1.00 0.00 C ATOM 987 C VAL A 63 -11.311 -8.446 0.602 1.00 0.00 C ATOM 988 O VAL A 63 -11.516 -9.496 -0.012 1.00 0.00 O ATOM 989 CB VAL A 63 -11.313 -9.188 2.990 1.00 0.00 C ATOM 990 CG1 VAL A 63 -9.794 -9.078 2.988 1.00 0.00 C ATOM 991 CG2 VAL A 63 -11.868 -8.935 4.383 1.00 0.00 C ATOM 0 H VAL A 63 -13.688 -9.338 1.812 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.736 -7.190 2.300 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.578 -10.203 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.378 -9.777 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.413 -9.316 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.502 -8.062 3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.416 -9.634 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.637 -7.914 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.949 -9.075 4.375 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.564 -7.467 0.124 1.00 0.00 N ATOM 1002 CA GLY A 64 -9.854 -7.625 -1.124 1.00 0.00 C ATOM 1003 C GLY A 64 -8.475 -7.010 -1.064 1.00 0.00 C ATOM 1004 O GLY A 64 -8.186 -6.216 -0.176 1.00 0.00 O ATOM 0 H GLY A 64 -10.436 -6.563 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.770 -8.685 -1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.425 -7.161 -1.929 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.620 -7.378 -1.998 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.285 -6.812 -2.066 1.00 0.00 C ATOM 1010 C GLN A 65 -6.209 -5.848 -3.232 1.00 0.00 C ATOM 1011 O GLN A 65 -6.534 -6.201 -4.372 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.221 -7.904 -2.196 1.00 0.00 C ATOM 1013 CG GLN A 65 -5.138 -8.814 -0.980 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.945 -9.746 -1.025 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -3.488 -10.143 -2.096 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -3.434 -10.103 0.140 1.00 0.00 N ATOM 0 H GLN A 65 -7.825 -8.067 -2.721 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.085 -6.276 -1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.436 -8.507 -3.078 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.250 -7.437 -2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.083 -8.204 -0.078 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.052 -9.404 -0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.843 -9.751 1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.631 -10.730 0.174 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.790 -4.634 -2.939 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.859 -3.555 -3.896 1.00 0.00 C ATOM 1027 C VAL A 66 -4.469 -2.933 -4.113 1.00 0.00 C ATOM 1028 O VAL A 66 -3.780 -2.556 -3.165 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.912 -2.520 -3.414 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.494 -1.830 -2.136 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -7.249 -1.497 -4.467 1.00 0.00 C ATOM 0 H VAL A 66 -5.395 -4.371 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.178 -3.933 -4.867 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.813 -3.099 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.263 -1.116 -1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.364 -2.572 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.553 -1.304 -2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.989 -0.800 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.348 -0.950 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.654 -1.999 -5.346 1.00 0.00 H new ATOM 1041 N ARG A 67 -4.045 -2.890 -5.371 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.709 -2.417 -5.732 1.00 0.00 C ATOM 1043 C ARG A 67 -2.816 -1.124 -6.523 1.00 0.00 C ATOM 1044 O ARG A 67 -3.644 -1.011 -7.427 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.974 -3.496 -6.548 1.00 0.00 C ATOM 1046 CG ARG A 67 -0.590 -3.098 -7.038 1.00 0.00 C ATOM 1047 CD ARG A 67 0.103 -4.259 -7.744 1.00 0.00 C ATOM 1048 NE ARG A 67 1.227 -3.812 -8.565 1.00 0.00 N ATOM 1049 CZ ARG A 67 2.290 -4.559 -8.875 1.00 0.00 C ATOM 1050 NH1 ARG A 67 2.447 -5.774 -8.363 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 3.211 -4.065 -9.688 1.00 0.00 N ATOM 0 H ARG A 67 -4.613 -3.180 -6.167 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.137 -2.221 -4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.883 -4.394 -5.936 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.587 -3.759 -7.410 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.673 -2.252 -7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.016 -2.769 -6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.459 -4.974 -7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.618 -4.783 -8.372 1.00 0.00 H new ATOM 0 HE ARG A 67 1.197 -2.859 -8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.749 -6.151 -7.722 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.265 -6.330 -8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.104 -3.125 -10.069 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.028 -4.624 -9.933 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.988 -0.149 -6.183 1.00 0.00 N ATOM 1066 CA PHE A 68 -2.068 1.159 -6.800 1.00 0.00 C ATOM 1067 C PHE A 68 -0.749 1.910 -6.699 1.00 0.00 C ATOM 1068 O PHE A 68 0.089 1.606 -5.851 1.00 0.00 O ATOM 1069 CB PHE A 68 -3.195 1.981 -6.160 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.322 1.831 -4.669 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -2.283 2.175 -3.818 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.500 1.350 -4.120 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.420 2.040 -2.450 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.639 1.216 -2.755 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.600 1.560 -1.919 1.00 0.00 C ATOM 0 H PHE A 68 -1.253 -0.242 -5.482 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.287 1.012 -7.858 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.033 3.034 -6.392 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.140 1.695 -6.621 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.358 2.552 -4.228 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.319 1.077 -4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.604 2.310 -1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.563 0.841 -2.341 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.708 1.454 -0.850 1.00 0.00 H new ATOM 1085 N THR A 69 -0.574 2.876 -7.587 1.00 0.00 N ATOM 1086 CA THR A 69 0.575 3.768 -7.544 1.00 0.00 C ATOM 1087 C THR A 69 0.168 5.076 -6.892 1.00 0.00 C ATOM 1088 O THR A 69 -0.887 5.630 -7.210 1.00 0.00 O ATOM 1089 CB THR A 69 1.140 4.051 -8.948 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.379 2.823 -9.642 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.439 4.835 -8.853 1.00 0.00 C ATOM 0 H THR A 69 -1.220 3.064 -8.354 1.00 0.00 H new ATOM 0 HA THR A 69 1.357 3.278 -6.965 1.00 0.00 H new ATOM 0 HB THR A 69 0.406 4.641 -9.497 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.736 3.016 -10.534 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.823 5.025 -9.855 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.255 5.784 -8.348 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.171 4.259 -8.287 1.00 0.00 H new ATOM 1099 N LEU A 70 0.996 5.551 -5.980 1.00 0.00 N ATOM 1100 CA LEU A 70 0.687 6.737 -5.204 1.00 0.00 C ATOM 1101 C LEU A 70 1.680 7.844 -5.476 1.00 0.00 C ATOM 1102 O LEU A 70 2.871 7.590 -5.674 1.00 0.00 O ATOM 1103 CB LEU A 70 0.704 6.386 -3.723 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.258 5.271 -3.335 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.083 4.885 -1.876 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.686 5.701 -3.621 1.00 0.00 C ATOM 0 H LEU A 70 1.897 5.128 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.302 7.092 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.715 6.092 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.460 7.278 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.034 4.389 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.782 4.087 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.937 4.539 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.279 5.751 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.370 4.900 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.919 6.595 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.795 5.917 -4.684 1.00 0.00 H new ATOM 1118 N ASP A 71 1.186 9.068 -5.501 1.00 0.00 N ATOM 1119 CA ASP A 71 2.049 10.220 -5.664 1.00 0.00 C ATOM 1120 C ASP A 71 2.358 10.832 -4.304 1.00 0.00 C ATOM 1121 O ASP A 71 1.732 10.467 -3.312 1.00 0.00 O ATOM 1122 CB ASP A 71 1.412 11.267 -6.584 1.00 0.00 C ATOM 1123 CG ASP A 71 2.447 12.127 -7.299 1.00 0.00 C ATOM 1124 OD1 ASP A 71 3.085 12.980 -6.643 1.00 0.00 O1- ATOM 1125 OD2 ASP A 71 2.623 11.964 -8.524 1.00 0.00 O ATOM 0 H ASP A 71 0.194 9.288 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 71 2.977 9.887 -6.129 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.789 10.764 -7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.755 11.909 -5.997 1.00 0.00 H new ATOM 1130 N ARG A 72 3.293 11.757 -4.274 1.00 0.00 N ATOM 1131 CA ARG A 72 3.831 12.321 -3.031 1.00 0.00 C ATOM 1132 C ARG A 72 2.738 12.805 -2.068 1.00 0.00 C ATOM 1133 O ARG A 72 2.809 12.554 -0.866 1.00 0.00 O ATOM 1134 CB ARG A 72 4.748 13.488 -3.387 1.00 0.00 C ATOM 1135 CG ARG A 72 5.597 14.012 -2.243 1.00 0.00 C ATOM 1136 CD ARG A 72 6.398 15.223 -2.695 1.00 0.00 C ATOM 1137 NE ARG A 72 6.974 15.023 -4.027 1.00 0.00 N ATOM 1138 CZ ARG A 72 7.817 15.872 -4.618 1.00 0.00 C ATOM 1139 NH1 ARG A 72 8.178 16.995 -4.008 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 8.278 15.605 -5.833 1.00 0.00 N ATOM 0 H ARG A 72 3.713 12.151 -5.116 1.00 0.00 H new ATOM 0 HA ARG A 72 4.375 11.530 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.409 13.177 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.138 14.306 -3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.959 14.282 -1.401 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.272 13.230 -1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.754 16.103 -2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.196 15.420 -1.979 1.00 0.00 H new ATOM 0 HE ARG A 72 6.713 14.179 -4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.811 17.213 -3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.823 17.639 -4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.988 14.753 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.922 16.252 -6.287 1.00 0.00 H new ATOM 1154 N GLN A 73 1.721 13.473 -2.597 1.00 0.00 N ATOM 1155 CA GLN A 73 0.646 14.008 -1.770 1.00 0.00 C ATOM 1156 C GLN A 73 -0.530 13.043 -1.691 1.00 0.00 C ATOM 1157 O GLN A 73 -1.666 13.453 -1.440 1.00 0.00 O ATOM 1158 CB GLN A 73 0.182 15.347 -2.335 1.00 0.00 C ATOM 1159 CG GLN A 73 1.248 16.423 -2.278 1.00 0.00 C ATOM 1160 CD GLN A 73 1.473 16.950 -0.873 1.00 0.00 C ATOM 1161 OE1 GLN A 73 0.829 17.910 -0.450 1.00 0.00 O ATOM 1162 NE2 GLN A 73 2.383 16.329 -0.138 1.00 0.00 N ATOM 0 H GLN A 73 1.618 13.657 -3.595 1.00 0.00 H new ATOM 0 HA GLN A 73 1.032 14.148 -0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.130 15.208 -3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.694 15.683 -1.781 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.184 16.022 -2.666 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.961 17.248 -2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.896 15.537 -0.524 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.570 16.643 0.814 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.254 11.768 -1.904 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.293 10.767 -1.861 1.00 0.00 C ATOM 1173 C GLY A 74 -2.266 10.907 -3.004 1.00 0.00 C ATOM 1174 O GLY A 74 -3.477 10.908 -2.804 1.00 0.00 O ATOM 0 H GLY A 74 0.678 11.408 -2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.841 9.775 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.831 10.845 -0.916 1.00 0.00 H new ATOM 1178 N HIS A 75 -1.732 11.052 -4.202 1.00 0.00 N ATOM 1179 CA HIS A 75 -2.561 11.159 -5.386 1.00 0.00 C ATOM 1180 C HIS A 75 -2.605 9.821 -6.108 1.00 0.00 C ATOM 1181 O HIS A 75 -1.568 9.308 -6.527 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.030 12.253 -6.319 1.00 0.00 C ATOM 1183 CG HIS A 75 -2.921 12.540 -7.489 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.016 13.371 -7.411 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -2.879 12.099 -8.768 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -4.606 13.430 -8.587 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -3.939 12.665 -9.429 1.00 0.00 N ATOM 0 H HIS A 75 -0.729 11.098 -4.380 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.572 11.431 -5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.893 13.170 -5.746 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.048 11.957 -6.687 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.147 11.426 -9.190 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.488 14.008 -8.822 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.173 12.518 -10.411 1.00 0.00 H new ATOM 1196 N VAL A 76 -3.800 9.250 -6.197 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.037 8.039 -6.975 1.00 0.00 C ATOM 1198 C VAL A 76 -3.441 8.166 -8.378 1.00 0.00 C ATOM 1199 O VAL A 76 -3.745 9.106 -9.115 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.552 7.732 -7.071 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.331 8.934 -7.588 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.803 6.514 -7.947 1.00 0.00 C ATOM 0 H VAL A 76 -4.632 9.613 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.545 7.214 -6.460 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.908 7.512 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.391 8.684 -7.643 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.191 9.777 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.969 9.202 -8.581 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.874 6.318 -7.999 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.419 6.702 -8.950 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.296 5.648 -7.520 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.563 7.241 -8.724 1.00 0.00 N ATOM 1213 CA LEU A 77 -1.923 7.263 -10.027 1.00 0.00 C ATOM 1214 C LEU A 77 -2.296 6.030 -10.835 1.00 0.00 C ATOM 1215 O LEU A 77 -2.634 6.128 -12.013 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.406 7.365 -9.872 1.00 0.00 C ATOM 1217 CG LEU A 77 0.077 8.629 -9.161 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.570 8.561 -8.906 1.00 0.00 C ATOM 1219 CD2 LEU A 77 -0.270 9.865 -9.980 1.00 0.00 C ATOM 0 H LEU A 77 -2.278 6.468 -8.123 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.277 8.141 -10.567 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.051 6.495 -9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.051 7.323 -10.861 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.431 8.698 -8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.894 9.470 -8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.793 7.697 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.097 8.467 -9.855 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.081 10.756 -9.460 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.211 9.802 -10.956 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.351 9.923 -10.111 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.253 4.875 -10.191 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.601 3.622 -10.845 1.00 0.00 C ATOM 1233 C ALA A 78 -3.587 2.859 -9.986 1.00 0.00 C ATOM 1234 O ALA A 78 -3.651 3.086 -8.785 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.364 2.776 -11.095 1.00 0.00 C ATOM 0 H ALA A 78 -1.980 4.778 -9.213 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.056 3.848 -11.809 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.652 1.846 -11.584 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.672 3.323 -11.735 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.879 2.551 -10.145 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.334 1.952 -10.601 1.00 0.00 N ATOM 1242 CA VAL A 79 -5.363 1.194 -9.909 1.00 0.00 C ATOM 1243 C VAL A 79 -5.446 -0.223 -10.477 1.00 0.00 C ATOM 1244 O VAL A 79 -5.751 -0.420 -11.653 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.748 1.884 -10.014 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.789 3.147 -9.166 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -7.097 2.215 -11.460 1.00 0.00 C ATOM 0 H VAL A 79 -4.243 1.723 -11.591 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.088 1.148 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.491 1.182 -9.636 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.770 3.614 -9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.603 2.891 -8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.024 3.842 -9.511 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.074 2.697 -11.497 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.344 2.887 -11.871 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.123 1.297 -12.047 1.00 0.00 H new ATOM 1257 N THR A 80 -5.165 -1.212 -9.645 1.00 0.00 N ATOM 1258 CA THR A 80 -5.143 -2.594 -10.095 1.00 0.00 C ATOM 1259 C THR A 80 -5.723 -3.529 -9.038 1.00 0.00 C ATOM 1260 O THR A 80 -5.372 -3.446 -7.859 1.00 0.00 O ATOM 1261 CB THR A 80 -3.700 -3.032 -10.429 1.00 0.00 C ATOM 1262 OG1 THR A 80 -3.126 -2.132 -11.385 1.00 0.00 O ATOM 1263 CG2 THR A 80 -3.665 -4.450 -10.984 1.00 0.00 C ATOM 0 H THR A 80 -4.949 -1.084 -8.656 1.00 0.00 H new ATOM 0 HA THR A 80 -5.758 -2.656 -10.993 1.00 0.00 H new ATOM 0 HB THR A 80 -3.121 -3.010 -9.505 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.211 -2.414 -11.591 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.635 -4.727 -11.209 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.074 -5.140 -10.246 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.261 -4.499 -11.895 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.620 -4.407 -9.461 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.133 -5.442 -8.583 1.00 0.00 C ATOM 1273 C LEU A 81 -6.173 -6.619 -8.573 1.00 0.00 C ATOM 1274 O LEU A 81 -5.906 -7.229 -9.608 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.515 -5.914 -9.026 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.117 -7.012 -8.145 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.494 -6.462 -6.778 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.323 -7.641 -8.823 1.00 0.00 C ATOM 0 H LEU A 81 -7.006 -4.422 -10.405 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.223 -5.024 -7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.192 -5.060 -9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.450 -6.281 -10.050 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.363 -7.786 -8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.920 -7.260 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.605 -6.066 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.228 -5.665 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.737 -8.419 -8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.080 -6.877 -9.001 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.019 -8.079 -9.774 1.00 0.00 H new ATOM 1290 N VAL A 82 -5.658 -6.933 -7.402 1.00 0.00 N ATOM 1291 CA VAL A 82 -4.651 -7.971 -7.271 1.00 0.00 C ATOM 1292 C VAL A 82 -5.300 -9.292 -6.889 1.00 0.00 C ATOM 1293 O VAL A 82 -5.194 -10.283 -7.609 1.00 0.00 O ATOM 1294 CB VAL A 82 -3.601 -7.591 -6.210 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -2.198 -7.895 -6.705 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -3.735 -6.127 -5.831 1.00 0.00 C ATOM 0 H VAL A 82 -5.920 -6.484 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.153 -8.076 -8.235 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.780 -8.193 -5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.474 -7.618 -5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.111 -8.960 -6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.001 -7.325 -7.613 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.986 -5.875 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.586 -5.507 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.730 -5.946 -5.425 1.00 0.00 H new ATOM 1306 N SER A 83 -5.991 -9.294 -5.763 1.00 0.00 N ATOM 1307 CA SER A 83 -6.630 -10.500 -5.268 1.00 0.00 C ATOM 1308 C SER A 83 -7.984 -10.182 -4.645 1.00 0.00 C ATOM 1309 O SER A 83 -8.067 -9.497 -3.627 1.00 0.00 O ATOM 1310 CB SER A 83 -5.723 -11.192 -4.251 1.00 0.00 C ATOM 1311 OG SER A 83 -4.553 -11.698 -4.874 1.00 0.00 O ATOM 0 H SER A 83 -6.124 -8.472 -5.173 1.00 0.00 H new ATOM 0 HA SER A 83 -6.797 -11.173 -6.109 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.446 -10.487 -3.467 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.265 -12.007 -3.771 1.00 0.00 H new ATOM 0 HG SER A 83 -3.988 -12.135 -4.203 1.00 0.00 H new ATOM 1317 N SER A 84 -9.040 -10.660 -5.277 1.00 0.00 N ATOM 1318 CA SER A 84 -10.385 -10.492 -4.755 1.00 0.00 C ATOM 1319 C SER A 84 -10.883 -11.830 -4.214 1.00 0.00 C ATOM 1320 O SER A 84 -10.996 -12.808 -4.954 1.00 0.00 O ATOM 1321 CB SER A 84 -11.307 -9.959 -5.860 1.00 0.00 C ATOM 1322 OG SER A 84 -12.600 -9.652 -5.366 1.00 0.00 O ATOM 0 H SER A 84 -8.992 -11.171 -6.158 1.00 0.00 H new ATOM 0 HA SER A 84 -10.384 -9.768 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.866 -9.066 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.388 -10.701 -6.654 1.00 0.00 H new ATOM 0 HG SER A 84 -13.158 -9.314 -6.097 1.00 0.00 H new ATOM 1328 N ALA A 85 -11.145 -11.869 -2.909 1.00 0.00 N ATOM 1329 CA ALA A 85 -11.539 -13.103 -2.236 1.00 0.00 C ATOM 1330 C ALA A 85 -12.932 -13.552 -2.663 1.00 0.00 C ATOM 1331 O ALA A 85 -13.146 -14.719 -2.979 1.00 0.00 O ATOM 1332 CB ALA A 85 -11.479 -12.923 -0.724 1.00 0.00 C ATOM 0 H ALA A 85 -11.091 -11.056 -2.295 1.00 0.00 H new ATOM 0 HA ALA A 85 -10.835 -13.882 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.775 -13.851 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.462 -12.666 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.157 -12.123 -0.426 1.00 0.00 H new ATOM 1338 N GLY A 86 -13.876 -12.624 -2.677 1.00 0.00 N ATOM 1339 CA GLY A 86 -15.236 -12.960 -3.047 1.00 0.00 C ATOM 1340 C GLY A 86 -16.127 -11.743 -3.082 1.00 0.00 C ATOM 1341 O GLY A 86 -17.124 -11.671 -2.367 1.00 0.00 O ATOM 0 H GLY A 86 -13.726 -11.644 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.238 -13.439 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.637 -13.683 -2.337 1.00 0.00 H new ATOM 1345 N LEU A 87 -15.765 -10.778 -3.913 1.00 0.00 N ATOM 1346 CA LEU A 87 -16.513 -9.534 -4.001 1.00 0.00 C ATOM 1347 C LEU A 87 -17.085 -9.365 -5.404 1.00 0.00 C ATOM 1348 O LEU A 87 -16.432 -8.795 -6.273 1.00 0.00 O ATOM 1349 CB LEU A 87 -15.626 -8.314 -3.693 1.00 0.00 C ATOM 1350 CG LEU A 87 -14.870 -8.292 -2.357 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -15.784 -8.655 -1.210 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -13.649 -9.198 -2.385 1.00 0.00 C ATOM 0 H LEU A 87 -14.959 -10.832 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.313 -9.588 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.892 -8.224 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.255 -7.425 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.517 -7.272 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.223 -8.632 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.605 -7.939 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.185 -9.656 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.141 -9.154 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.961 -10.223 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.968 -8.867 -3.169 1.00 0.00 H new ATOM 1364 N PRO A 88 -18.301 -9.868 -5.659 1.00 0.00 N ATOM 1365 CA PRO A 88 -18.969 -9.677 -6.943 1.00 0.00 C ATOM 1366 C PRO A 88 -19.560 -8.276 -7.058 1.00 0.00 C ATOM 1367 O PRO A 88 -18.927 -7.369 -7.594 1.00 0.00 O ATOM 1368 CB PRO A 88 -20.082 -10.739 -6.947 1.00 0.00 C ATOM 1369 CG PRO A 88 -19.897 -11.539 -5.695 1.00 0.00 C ATOM 1370 CD PRO A 88 -19.114 -10.676 -4.748 1.00 0.00 C ATOM 0 HA PRO A 88 -18.283 -9.779 -7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -21.066 -10.272 -6.969 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.011 -11.375 -7.830 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.860 -11.813 -5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.365 -12.468 -5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -19.765 -10.059 -4.128 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.498 -11.269 -4.072 1.00 0.00 H new ATOM 1378 N SER A 89 -20.758 -8.097 -6.519 1.00 0.00 N ATOM 1379 CA SER A 89 -21.402 -6.790 -6.479 1.00 0.00 C ATOM 1380 C SER A 89 -20.634 -5.854 -5.545 1.00 0.00 C ATOM 1381 O SER A 89 -20.789 -4.637 -5.582 1.00 0.00 O ATOM 1382 CB SER A 89 -22.844 -6.949 -6.002 1.00 0.00 C ATOM 1383 OG SER A 89 -23.454 -8.069 -6.623 1.00 0.00 O ATOM 0 H SER A 89 -21.308 -8.847 -6.100 1.00 0.00 H new ATOM 0 HA SER A 89 -21.402 -6.356 -7.479 1.00 0.00 H new ATOM 0 HB2 SER A 89 -22.863 -7.071 -4.919 1.00 0.00 H new ATOM 0 HB3 SER A 89 -23.410 -6.046 -6.231 1.00 0.00 H new ATOM 0 HG SER A 89 -24.377 -8.157 -6.305 1.00 0.00 H new ATOM 1389 N LEU A 90 -19.814 -6.455 -4.697 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.070 -5.729 -3.680 1.00 0.00 C ATOM 1391 C LEU A 90 -17.892 -4.976 -4.290 1.00 0.00 C ATOM 1392 O LEU A 90 -17.546 -3.885 -3.836 1.00 0.00 O ATOM 1393 CB LEU A 90 -18.566 -6.715 -2.626 1.00 0.00 C ATOM 1394 CG LEU A 90 -19.623 -7.674 -2.086 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -18.963 -8.934 -1.557 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -20.423 -6.991 -1.001 1.00 0.00 C ATOM 0 H LEU A 90 -19.646 -7.461 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 90 -19.734 -4.997 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -17.752 -7.299 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.148 -6.151 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.300 -7.957 -2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -19.726 -9.611 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.415 -9.423 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.273 -8.674 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.177 -7.678 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -19.757 -6.694 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -20.912 -6.108 -1.411 1.00 0.00 H new ATOM 1408 N ASP A 91 -17.307 -5.563 -5.333 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.087 -5.040 -5.952 1.00 0.00 C ATOM 1410 C ASP A 91 -16.256 -3.590 -6.369 1.00 0.00 C ATOM 1411 O ASP A 91 -15.442 -2.736 -6.024 1.00 0.00 O ATOM 1412 CB ASP A 91 -15.712 -5.883 -7.175 1.00 0.00 C ATOM 1413 CG ASP A 91 -14.437 -5.414 -7.855 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -14.503 -4.495 -8.701 1.00 0.00 O1- ATOM 1415 OD2 ASP A 91 -13.359 -5.979 -7.558 1.00 0.00 O ATOM 0 H ASP A 91 -17.663 -6.412 -5.773 1.00 0.00 H new ATOM 0 HA ASP A 91 -15.290 -5.094 -5.211 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.592 -6.922 -6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.531 -5.854 -7.893 1.00 0.00 H new ATOM 1420 N ARG A 92 -17.341 -3.317 -7.075 1.00 0.00 N ATOM 1421 CA ARG A 92 -17.580 -1.995 -7.637 1.00 0.00 C ATOM 1422 C ARG A 92 -17.498 -0.895 -6.576 1.00 0.00 C ATOM 1423 O ARG A 92 -16.799 0.097 -6.762 1.00 0.00 O ATOM 1424 CB ARG A 92 -18.946 -1.957 -8.326 1.00 0.00 C ATOM 1425 CG ARG A 92 -20.092 -2.353 -7.411 1.00 0.00 C ATOM 1426 CD ARG A 92 -21.427 -2.357 -8.130 1.00 0.00 C ATOM 1427 NE ARG A 92 -21.498 -3.367 -9.185 1.00 0.00 N ATOM 1428 CZ ARG A 92 -22.603 -4.053 -9.477 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -23.713 -3.871 -8.767 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -22.595 -4.931 -10.467 1.00 0.00 N ATOM 0 H ARG A 92 -18.075 -3.997 -7.274 1.00 0.00 H new ATOM 0 HA ARG A 92 -16.795 -1.804 -8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -19.125 -0.952 -8.707 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -18.930 -2.626 -9.187 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -19.900 -3.344 -7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -20.137 -1.662 -6.569 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -22.223 -2.536 -7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -21.605 -1.373 -8.563 1.00 0.00 H new ATOM 0 HE ARG A 92 -20.655 -3.557 -9.727 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -23.721 -3.204 -7.995 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -24.556 -4.398 -8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -21.743 -5.083 -11.007 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -23.441 -5.456 -10.690 1.00 0.00 H new ATOM 1444 N GLU A 93 -18.208 -1.065 -5.466 1.00 0.00 N ATOM 1445 CA GLU A 93 -18.300 -0.010 -4.469 1.00 0.00 C ATOM 1446 C GLU A 93 -17.046 0.077 -3.599 1.00 0.00 C ATOM 1447 O GLU A 93 -16.576 1.178 -3.304 1.00 0.00 O ATOM 1448 CB GLU A 93 -19.539 -0.182 -3.600 1.00 0.00 C ATOM 1449 CG GLU A 93 -19.964 1.112 -2.927 1.00 0.00 C ATOM 1450 CD GLU A 93 -21.158 0.938 -2.023 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -22.294 0.865 -2.535 1.00 0.00 O1- ATOM 1452 OE2 GLU A 93 -20.962 0.866 -0.798 1.00 0.00 O ATOM 0 H GLU A 93 -18.723 -1.915 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.384 0.930 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.359 -0.555 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.342 -0.936 -2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.129 1.505 -2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -20.198 1.853 -3.691 1.00 0.00 H new ATOM 1459 N ILE A 94 -16.502 -1.071 -3.179 1.00 0.00 N ATOM 1460 CA ILE A 94 -15.332 -1.067 -2.303 1.00 0.00 C ATOM 1461 C ILE A 94 -14.149 -0.377 -2.978 1.00 0.00 C ATOM 1462 O ILE A 94 -13.428 0.400 -2.349 1.00 0.00 O ATOM 1463 CB ILE A 94 -14.902 -2.490 -1.840 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -14.556 -3.389 -3.031 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -15.984 -3.136 -0.986 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -14.114 -4.782 -2.632 1.00 0.00 C ATOM 0 H ILE A 94 -16.848 -1.998 -3.428 1.00 0.00 H new ATOM 0 HA ILE A 94 -15.631 -0.512 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.004 -2.375 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -15.427 -3.466 -3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -13.763 -2.918 -3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -15.658 -4.129 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -16.166 -2.522 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -16.903 -3.220 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -13.886 -5.361 -3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -13.224 -4.716 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -14.913 -5.272 -2.076 1.00 0.00 H new ATOM 1478 N GLN A 95 -13.973 -0.637 -4.268 1.00 0.00 N ATOM 1479 CA GLN A 95 -12.873 -0.070 -5.010 1.00 0.00 C ATOM 1480 C GLN A 95 -13.197 1.343 -5.467 1.00 0.00 C ATOM 1481 O GLN A 95 -12.318 2.168 -5.618 1.00 0.00 O ATOM 1482 CB GLN A 95 -12.560 -0.932 -6.213 1.00 0.00 C ATOM 1483 CG GLN A 95 -12.480 -2.418 -5.899 1.00 0.00 C ATOM 1484 CD GLN A 95 -11.236 -2.818 -5.144 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -10.183 -2.202 -5.278 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -11.360 -3.861 -4.338 1.00 0.00 N ATOM 0 H GLN A 95 -14.585 -1.241 -4.817 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.004 -0.032 -4.353 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.325 -0.771 -6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.612 -0.609 -6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.355 -2.703 -5.315 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.523 -2.979 -6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.256 -4.341 -4.260 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.559 -4.184 -3.795 1.00 0.00 H new ATOM 1495 N ALA A 96 -14.453 1.624 -5.713 1.00 0.00 N ATOM 1496 CA ALA A 96 -14.840 2.995 -6.012 1.00 0.00 C ATOM 1497 C ALA A 96 -14.385 3.897 -4.871 1.00 0.00 C ATOM 1498 O ALA A 96 -13.645 4.866 -5.075 1.00 0.00 O ATOM 1499 CB ALA A 96 -16.344 3.108 -6.215 1.00 0.00 C ATOM 0 H ALA A 96 -15.214 0.945 -5.715 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.361 3.307 -6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -16.604 4.143 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -16.648 2.471 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.858 2.791 -5.308 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.769 3.505 -3.661 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.466 4.231 -2.464 1.00 0.00 C ATOM 1507 C LEU A 97 -12.959 4.323 -2.217 1.00 0.00 C ATOM 1508 O LEU A 97 -12.407 5.414 -2.108 1.00 0.00 O ATOM 1509 CB LEU A 97 -15.149 3.498 -1.308 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.934 4.131 0.041 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -16.262 4.477 0.701 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -14.107 3.233 0.947 1.00 0.00 C ATOM 0 H LEU A 97 -15.309 2.656 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.828 5.255 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -16.220 3.449 -1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.783 2.472 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 97 -14.379 5.056 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -16.077 4.933 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -16.810 5.177 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.851 3.569 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.970 3.718 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.624 2.284 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.134 3.052 0.490 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.304 3.171 -2.149 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.874 3.110 -1.832 1.00 0.00 C ATOM 1526 C VAL A 98 -9.973 3.224 -3.064 1.00 0.00 C ATOM 1527 O VAL A 98 -9.054 4.037 -3.086 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.526 1.796 -1.101 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -9.019 1.635 -0.974 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -11.181 1.753 0.271 1.00 0.00 C ATOM 0 H VAL A 98 -12.737 2.262 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.685 3.971 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.913 0.967 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.795 0.703 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.570 1.615 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.610 2.472 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.922 0.818 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.827 2.593 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.263 1.817 0.160 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.243 2.419 -4.085 1.00 0.00 N ATOM 1541 CA LYS A 99 -9.351 2.321 -5.241 1.00 0.00 C ATOM 1542 C LYS A 99 -9.264 3.651 -5.994 1.00 0.00 C ATOM 1543 O LYS A 99 -8.187 4.042 -6.436 1.00 0.00 O ATOM 1544 CB LYS A 99 -9.786 1.183 -6.192 1.00 0.00 C ATOM 1545 CG LYS A 99 -8.990 1.128 -7.488 1.00 0.00 C ATOM 1546 CD LYS A 99 -9.666 0.260 -8.543 1.00 0.00 C ATOM 1547 CE LYS A 99 -9.649 -1.211 -8.169 1.00 0.00 C ATOM 1548 NZ LYS A 99 -10.411 -2.036 -9.144 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.070 1.825 -4.139 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.357 2.083 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.684 0.230 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.843 1.305 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.863 2.138 -7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.993 0.738 -7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.697 0.588 -8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.163 0.396 -9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.618 -1.563 -8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.075 -1.338 -7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.377 -3.035 -8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.400 -1.717 -9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.989 -1.934 -10.089 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.377 4.369 -6.122 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.346 5.633 -6.850 1.00 0.00 C ATOM 1564 C ARG A 100 -9.772 6.747 -5.973 1.00 0.00 C ATOM 1565 O ARG A 100 -9.354 7.792 -6.467 1.00 0.00 O ATOM 1566 CB ARG A 100 -11.739 6.001 -7.370 1.00 0.00 C ATOM 1567 CG ARG A 100 -11.768 7.278 -8.201 1.00 0.00 C ATOM 1568 CD ARG A 100 -10.701 7.274 -9.294 1.00 0.00 C ATOM 1569 NE ARG A 100 -10.856 6.161 -10.233 1.00 0.00 N ATOM 1570 CZ ARG A 100 -9.874 5.698 -11.014 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -8.658 6.227 -10.946 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -10.107 4.703 -11.861 1.00 0.00 N ATOM 0 H ARG A 100 -11.287 4.107 -5.743 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.692 5.513 -7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.121 5.177 -7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.415 6.115 -6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -12.752 7.392 -8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.616 8.138 -7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.745 8.215 -9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.715 7.220 -8.833 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.769 5.711 -10.295 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.469 6.990 -10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.912 5.870 -11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.037 4.289 -11.918 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.356 4.352 -12.455 1.00 0.00 H new ATOM 1586 N ALA A 101 -9.734 6.506 -4.673 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.161 7.465 -3.739 1.00 0.00 C ATOM 1588 C ALA A 101 -7.898 6.906 -3.106 1.00 0.00 C ATOM 1589 O ALA A 101 -7.779 6.873 -1.884 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.167 7.839 -2.664 1.00 0.00 C ATOM 0 H ALA A 101 -10.093 5.655 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.902 8.365 -4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.717 8.556 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.047 8.284 -3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.460 6.945 -2.113 1.00 0.00 H new ATOM 1596 N SER A 102 -6.967 6.463 -3.947 1.00 0.00 N ATOM 1597 CA SER A 102 -5.708 5.890 -3.480 1.00 0.00 C ATOM 1598 C SER A 102 -4.866 6.943 -2.764 1.00 0.00 C ATOM 1599 O SER A 102 -4.319 7.854 -3.392 1.00 0.00 O ATOM 1600 CB SER A 102 -4.931 5.296 -4.655 1.00 0.00 C ATOM 1601 OG SER A 102 -5.673 4.276 -5.300 1.00 0.00 O ATOM 0 H SER A 102 -7.062 6.490 -4.962 1.00 0.00 H new ATOM 0 HA SER A 102 -5.934 5.095 -2.770 1.00 0.00 H new ATOM 0 HB2 SER A 102 -4.692 6.083 -5.371 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.984 4.890 -4.299 1.00 0.00 H new ATOM 0 HG SER A 102 -6.513 4.648 -5.641 1.00 0.00 H new ATOM 1607 N PRO A 103 -4.773 6.836 -1.432 1.00 0.00 N ATOM 1608 CA PRO A 103 -4.116 7.810 -0.590 1.00 0.00 C ATOM 1609 C PRO A 103 -2.713 7.394 -0.133 1.00 0.00 C ATOM 1610 O PRO A 103 -2.393 6.209 -0.041 1.00 0.00 O ATOM 1611 CB PRO A 103 -5.064 7.859 0.607 1.00 0.00 C ATOM 1612 CG PRO A 103 -5.773 6.530 0.627 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.352 5.775 -0.611 1.00 0.00 C ATOM 0 HA PRO A 103 -3.950 8.755 -1.107 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.514 8.022 1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.775 8.679 0.509 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.513 5.970 1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.854 6.672 0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.627 4.993 -0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.198 5.294 -1.103 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.895 8.389 0.172 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.546 8.170 0.683 1.00 0.00 C ATOM 1623 C LEU A 104 -0.231 9.230 1.734 1.00 0.00 C ATOM 1624 O LEU A 104 -0.059 10.400 1.400 1.00 0.00 O ATOM 1625 CB LEU A 104 0.480 8.254 -0.457 1.00 0.00 C ATOM 1626 CG LEU A 104 1.947 8.071 -0.044 1.00 0.00 C ATOM 1627 CD1 LEU A 104 2.429 6.653 -0.334 1.00 0.00 C ATOM 1628 CD2 LEU A 104 2.824 9.087 -0.758 1.00 0.00 C ATOM 0 H LEU A 104 -2.145 9.373 0.073 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.491 7.177 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.233 7.496 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.377 9.224 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 104 2.020 8.235 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.471 6.554 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.820 5.941 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.341 6.450 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.862 8.947 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.737 8.949 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.502 10.094 -0.494 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.190 8.848 3.021 1.00 0.00 N ATOM 1641 CA PRO A 105 0.138 9.779 4.101 1.00 0.00 C ATOM 1642 C PRO A 105 1.618 10.107 4.153 1.00 0.00 C ATOM 1643 O PRO A 105 2.012 11.269 4.121 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.248 9.039 5.383 1.00 0.00 C ATOM 1645 CG PRO A 105 -0.803 7.716 4.971 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.465 7.497 3.523 1.00 0.00 C ATOM 0 HA PRO A 105 -0.385 10.725 3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.620 8.909 6.030 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.986 9.607 5.950 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.382 6.919 5.585 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.883 7.694 5.117 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.400 6.844 3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.290 7.031 2.985 1.00 0.00 H new ATOM 1654 N THR A 106 2.426 9.072 4.281 1.00 0.00 N ATOM 1655 CA THR A 106 3.866 9.234 4.372 1.00 0.00 C ATOM 1656 C THR A 106 4.502 9.192 2.985 1.00 0.00 C ATOM 1657 O THR A 106 4.517 8.145 2.344 1.00 0.00 O ATOM 1658 CB THR A 106 4.480 8.131 5.254 1.00 0.00 C ATOM 1659 OG1 THR A 106 3.721 7.997 6.465 1.00 0.00 O ATOM 1660 CG2 THR A 106 5.930 8.446 5.596 1.00 0.00 C ATOM 0 H THR A 106 2.108 8.104 4.325 1.00 0.00 H new ATOM 0 HA THR A 106 4.066 10.205 4.825 1.00 0.00 H new ATOM 0 HB THR A 106 4.452 7.195 4.695 1.00 0.00 H new ATOM 0 HG1 THR A 106 4.115 7.293 7.022 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.338 7.650 6.219 1.00 0.00 H new ATOM 0 HG22 THR A 106 6.512 8.522 4.678 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.979 9.392 6.136 1.00 0.00 H new ATOM 1668 N PRO A 107 5.016 10.338 2.504 1.00 0.00 N ATOM 1669 CA PRO A 107 5.674 10.430 1.197 1.00 0.00 C ATOM 1670 C PRO A 107 7.007 9.680 1.168 1.00 0.00 C ATOM 1671 O PRO A 107 7.995 10.124 1.757 1.00 0.00 O ATOM 1672 CB PRO A 107 5.901 11.932 1.011 1.00 0.00 C ATOM 1673 CG PRO A 107 5.924 12.492 2.391 1.00 0.00 C ATOM 1674 CD PRO A 107 4.995 11.637 3.203 1.00 0.00 C ATOM 0 HA PRO A 107 5.073 9.979 0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.838 12.128 0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.105 12.381 0.416 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.933 12.471 2.803 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.599 13.533 2.395 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.336 11.543 4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.990 12.058 3.237 1.00 0.00 H new ATOM 1682 N PRO A 108 7.052 8.529 0.485 1.00 0.00 N ATOM 1683 CA PRO A 108 8.252 7.708 0.391 1.00 0.00 C ATOM 1684 C PRO A 108 9.132 8.128 -0.775 1.00 0.00 C ATOM 1685 O PRO A 108 9.231 7.425 -1.782 1.00 0.00 O ATOM 1686 CB PRO A 108 7.661 6.319 0.167 1.00 0.00 C ATOM 1687 CG PRO A 108 6.450 6.571 -0.667 1.00 0.00 C ATOM 1688 CD PRO A 108 5.929 7.923 -0.255 1.00 0.00 C ATOM 0 HA PRO A 108 8.901 7.780 1.264 1.00 0.00 H new ATOM 0 HB2 PRO A 108 8.367 5.663 -0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.403 5.838 1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.698 6.557 -1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.698 5.798 -0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.651 8.524 -1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.041 7.835 0.370 1.00 0.00 H new ATOM 1696 N ALA A 109 9.764 9.287 -0.634 1.00 0.00 N ATOM 1697 CA ALA A 109 10.651 9.798 -1.664 1.00 0.00 C ATOM 1698 C ALA A 109 11.736 8.779 -1.965 1.00 0.00 C ATOM 1699 O ALA A 109 11.982 8.431 -3.117 1.00 0.00 O ATOM 1700 CB ALA A 109 11.265 11.123 -1.229 1.00 0.00 C ATOM 0 H ALA A 109 9.677 9.889 0.185 1.00 0.00 H new ATOM 0 HA ALA A 109 10.074 9.973 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.927 11.492 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.473 11.850 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.835 10.976 -0.312 1.00 0.00 H new ATOM 1706 N ASP A 110 12.325 8.246 -0.904 1.00 0.00 N ATOM 1707 CA ASP A 110 13.415 7.285 -1.014 1.00 0.00 C ATOM 1708 C ASP A 110 12.910 5.896 -1.410 1.00 0.00 C ATOM 1709 O ASP A 110 13.670 4.926 -1.421 1.00 0.00 O ATOM 1710 CB ASP A 110 14.172 7.204 0.313 1.00 0.00 C ATOM 1711 CG ASP A 110 13.268 6.815 1.464 1.00 0.00 C ATOM 1712 OD1 ASP A 110 12.468 7.668 1.911 1.00 0.00 O1- ATOM 1713 OD2 ASP A 110 13.343 5.658 1.924 1.00 0.00 O ATOM 0 H ASP A 110 12.062 8.467 0.056 1.00 0.00 H new ATOM 0 HA ASP A 110 14.086 7.631 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.979 6.477 0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.634 8.168 0.526 1.00 0.00 H new ATOM 1718 N ALA A 111 11.632 5.804 -1.745 1.00 0.00 N ATOM 1719 CA ALA A 111 11.038 4.536 -2.135 1.00 0.00 C ATOM 1720 C ALA A 111 10.627 4.540 -3.603 1.00 0.00 C ATOM 1721 O ALA A 111 10.517 3.490 -4.225 1.00 0.00 O ATOM 1722 CB ALA A 111 9.842 4.223 -1.254 1.00 0.00 C ATOM 0 H ALA A 111 10.986 6.594 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 111 11.791 3.759 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 111 9.406 3.271 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 111 10.162 4.161 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.097 5.012 -1.358 1.00 0.00 H new ATOM 1728 N TYR A 112 10.403 5.720 -4.169 1.00 0.00 N ATOM 1729 CA TYR A 112 9.960 5.793 -5.553 1.00 0.00 C ATOM 1730 C TYR A 112 10.887 6.598 -6.426 1.00 0.00 C ATOM 1731 O TYR A 112 10.516 7.021 -7.519 1.00 0.00 O ATOM 1732 CB TYR A 112 8.526 6.277 -5.697 1.00 0.00 C ATOM 1733 CG TYR A 112 8.130 7.524 -4.943 1.00 0.00 C ATOM 1734 CD1 TYR A 112 8.928 8.659 -4.901 1.00 0.00 C ATOM 1735 CD2 TYR A 112 6.915 7.553 -4.283 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.519 9.785 -4.210 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.496 8.662 -3.597 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.300 9.782 -3.559 1.00 0.00 C ATOM 1739 OH TYR A 112 6.887 10.895 -2.865 1.00 0.00 O ATOM 0 H TYR A 112 10.518 6.620 -3.703 1.00 0.00 H new ATOM 0 HA TYR A 112 9.990 4.763 -5.908 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.334 6.450 -6.756 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.866 5.469 -5.381 1.00 0.00 H new ATOM 0 HD1 TYR A 112 9.879 8.663 -5.414 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.281 6.679 -4.309 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.149 10.662 -4.179 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.543 8.659 -3.089 1.00 0.00 H new ATOM 0 HH TYR A 112 7.262 11.699 -3.282 1.00 0.00 H new ATOM 1749 N VAL A 113 12.085 6.819 -5.940 1.00 0.00 N ATOM 1750 CA VAL A 113 13.114 7.439 -6.763 1.00 0.00 C ATOM 1751 C VAL A 113 13.574 6.438 -7.819 1.00 0.00 C ATOM 1752 O VAL A 113 14.536 5.690 -7.634 1.00 0.00 O ATOM 1753 CB VAL A 113 14.324 7.942 -5.935 1.00 0.00 C ATOM 1754 CG1 VAL A 113 13.997 9.269 -5.270 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.747 6.918 -4.888 1.00 0.00 C ATOM 0 H VAL A 113 12.376 6.585 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 113 12.678 8.319 -7.236 1.00 0.00 H new ATOM 0 HB VAL A 113 15.159 8.085 -6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.857 9.608 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 113 13.758 10.009 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.142 9.142 -4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.598 7.303 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.917 6.730 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 113 15.029 5.988 -5.382 1.00 0.00 H new ATOM 1765 N ASN A 114 12.868 6.483 -8.942 1.00 0.00 N ATOM 1766 CA ASN A 114 12.962 5.496 -10.012 1.00 0.00 C ATOM 1767 C ASN A 114 11.710 5.640 -10.864 1.00 0.00 C ATOM 1768 O ASN A 114 11.709 5.365 -12.064 1.00 0.00 O ATOM 1769 CB ASN A 114 13.048 4.053 -9.464 1.00 0.00 C ATOM 1770 CG ASN A 114 11.688 3.428 -9.162 1.00 0.00 C ATOM 1771 OD1 ASN A 114 11.106 2.752 -10.011 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.167 3.647 -7.961 1.00 0.00 N ATOM 0 H ASN A 114 12.197 7.225 -9.139 1.00 0.00 H new ATOM 0 HA ASN A 114 13.870 5.673 -10.588 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.571 3.429 -10.189 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.647 4.055 -8.553 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.259 3.251 -7.719 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.675 4.212 -7.280 1.00 0.00 H new ATOM 1779 N GLY A 115 10.650 6.097 -10.201 1.00 0.00 N ATOM 1780 CA GLY A 115 9.371 6.295 -10.838 1.00 0.00 C ATOM 1781 C GLY A 115 8.317 6.722 -9.829 1.00 0.00 C ATOM 1782 O GLY A 115 8.134 7.912 -9.578 1.00 0.00 O ATOM 0 H GLY A 115 10.664 6.337 -9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.462 7.053 -11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.058 5.372 -11.327 1.00 0.00 H new ATOM 1786 N THR A 116 7.645 5.741 -9.235 1.00 0.00 N ATOM 1787 CA THR A 116 6.592 5.984 -8.255 1.00 0.00 C ATOM 1788 C THR A 116 6.346 4.711 -7.443 1.00 0.00 C ATOM 1789 O THR A 116 6.954 3.677 -7.724 1.00 0.00 O ATOM 1790 CB THR A 116 5.279 6.460 -8.912 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.371 6.391 -10.345 1.00 0.00 O ATOM 1792 CG2 THR A 116 4.964 7.884 -8.482 1.00 0.00 C ATOM 0 H THR A 116 7.816 4.753 -9.420 1.00 0.00 H new ATOM 0 HA THR A 116 6.928 6.785 -7.597 1.00 0.00 H new ATOM 0 HB THR A 116 4.475 5.801 -8.584 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.528 6.695 -10.742 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.036 8.209 -8.952 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.855 7.921 -7.398 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.776 8.544 -8.787 1.00 0.00 H new ATOM 1800 N VAL A 117 5.474 4.780 -6.436 1.00 0.00 N ATOM 1801 CA VAL A 117 5.242 3.631 -5.564 1.00 0.00 C ATOM 1802 C VAL A 117 3.940 2.936 -5.916 1.00 0.00 C ATOM 1803 O VAL A 117 2.854 3.468 -5.701 1.00 0.00 O ATOM 1804 CB VAL A 117 5.190 4.009 -4.054 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.559 4.365 -3.520 1.00 0.00 C ATOM 1806 CG2 VAL A 117 4.210 5.151 -3.785 1.00 0.00 C ATOM 0 H VAL A 117 4.924 5.608 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 117 6.092 2.968 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 117 4.834 3.124 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.482 4.623 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.228 3.513 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.955 5.216 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.205 5.383 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.516 6.033 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.209 4.852 -4.096 1.00 0.00 H new ATOM 1816 N GLU A 118 4.059 1.752 -6.486 1.00 0.00 N ATOM 1817 CA GLU A 118 2.908 0.903 -6.685 1.00 0.00 C ATOM 1818 C GLU A 118 3.041 -0.306 -5.783 1.00 0.00 C ATOM 1819 O GLU A 118 3.914 -1.152 -5.982 1.00 0.00 O ATOM 1820 CB GLU A 118 2.784 0.467 -8.143 1.00 0.00 C ATOM 1821 CG GLU A 118 1.493 -0.276 -8.432 1.00 0.00 C ATOM 1822 CD GLU A 118 1.368 -0.700 -9.875 1.00 0.00 C ATOM 1823 OE1 GLU A 118 1.957 -1.733 -10.243 1.00 0.00 O ATOM 1824 OE2 GLU A 118 0.663 -0.016 -10.639 1.00 0.00 O1- ATOM 0 H GLU A 118 4.940 1.360 -6.818 1.00 0.00 H new ATOM 0 HA GLU A 118 2.005 1.460 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 118 2.843 1.346 -8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.629 -0.172 -8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.437 -1.158 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.647 0.361 -8.171 1.00 0.00 H new ATOM 1831 N LEU A 119 2.180 -0.386 -4.791 1.00 0.00 N ATOM 1832 CA LEU A 119 2.268 -1.440 -3.810 1.00 0.00 C ATOM 1833 C LEU A 119 0.885 -1.994 -3.511 1.00 0.00 C ATOM 1834 O LEU A 119 -0.123 -1.313 -3.713 1.00 0.00 O ATOM 1835 CB LEU A 119 2.971 -0.926 -2.540 1.00 0.00 C ATOM 1836 CG LEU A 119 2.249 0.175 -1.754 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.386 -0.433 -0.672 1.00 0.00 C ATOM 1838 CD2 LEU A 119 3.249 1.152 -1.149 1.00 0.00 C ATOM 0 H LEU A 119 1.411 0.268 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 119 2.869 -2.257 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.130 -1.773 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.956 -0.553 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 119 1.609 0.725 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.879 0.360 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.645 -1.091 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.011 -1.007 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.714 1.924 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.916 0.618 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.833 1.614 -1.945 1.00 0.00 H new ATOM 1850 N THR A 120 0.845 -3.234 -3.061 1.00 0.00 N ATOM 1851 CA THR A 120 -0.407 -3.908 -2.803 1.00 0.00 C ATOM 1852 C THR A 120 -0.809 -3.789 -1.344 1.00 0.00 C ATOM 1853 O THR A 120 -0.048 -4.150 -0.443 1.00 0.00 O ATOM 1854 CB THR A 120 -0.318 -5.394 -3.182 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.020 -5.519 -4.570 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.636 -6.097 -2.896 1.00 0.00 C ATOM 0 H THR A 120 1.674 -3.796 -2.866 1.00 0.00 H new ATOM 0 HA THR A 120 -1.164 -3.423 -3.418 1.00 0.00 H new ATOM 0 HB THR A 120 0.459 -5.866 -2.581 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.078 -6.468 -4.808 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.554 -7.149 -3.171 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.869 -6.016 -1.834 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.431 -5.631 -3.478 1.00 0.00 H new ATOM 1864 N LEU A 121 -2.013 -3.293 -1.125 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.558 -3.146 0.211 1.00 0.00 C ATOM 1866 C LEU A 121 -3.902 -3.839 0.304 1.00 0.00 C ATOM 1867 O LEU A 121 -4.746 -3.683 -0.570 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.702 -1.666 0.569 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.380 -0.940 0.782 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -1.603 0.530 1.075 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -0.606 -1.600 1.911 1.00 0.00 C ATOM 0 H LEU A 121 -2.639 -2.981 -1.867 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.872 -3.609 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.254 -1.164 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.300 -1.580 1.476 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.797 -1.008 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.641 1.022 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.123 0.993 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.206 0.634 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.339 -1.077 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.193 -1.556 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.408 -2.641 1.656 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.107 -4.654 1.334 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.389 -5.300 1.564 1.00 0.00 C ATOM 1885 C PRO A 122 -6.419 -4.314 2.104 1.00 0.00 C ATOM 1886 O PRO A 122 -6.204 -3.681 3.140 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.079 -6.383 2.611 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.591 -6.397 2.759 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.116 -5.036 2.344 1.00 0.00 C ATOM 0 HA PRO A 122 -5.816 -5.705 0.646 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.564 -6.158 3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.448 -7.356 2.287 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.304 -6.612 3.788 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -3.145 -7.172 2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.099 -4.338 3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.107 -5.065 1.933 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.518 -4.162 1.388 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.630 -3.382 1.883 1.00 0.00 C ATOM 1899 C ILE A 123 -9.645 -4.316 2.523 1.00 0.00 C ATOM 1900 O ILE A 123 -10.444 -4.955 1.835 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.306 -2.514 0.787 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -9.394 -3.229 -0.576 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.559 -1.207 0.637 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.438 -2.628 -1.490 1.00 0.00 C ATOM 0 H ILE A 123 -7.661 -4.569 0.464 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.238 -2.682 2.621 1.00 0.00 H new ATOM 0 HB ILE A 123 -10.329 -2.328 1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -8.421 -3.186 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -9.623 -4.282 -0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -9.037 -0.601 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -8.575 -0.668 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.527 -1.409 0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -10.453 -3.173 -2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.418 -2.695 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.197 -1.582 -1.679 1.00 0.00 H new ATOM 1916 N ASP A 124 -9.587 -4.419 3.845 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.434 -5.361 4.556 1.00 0.00 C ATOM 1918 C ASP A 124 -11.714 -4.689 5.030 1.00 0.00 C ATOM 1919 O ASP A 124 -11.683 -3.709 5.778 1.00 0.00 O ATOM 1920 CB ASP A 124 -9.707 -5.918 5.794 1.00 0.00 C ATOM 1921 CG ASP A 124 -8.319 -6.466 5.510 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -7.346 -5.680 5.546 1.00 0.00 O1- ATOM 1923 OD2 ASP A 124 -8.187 -7.687 5.282 1.00 0.00 O ATOM 0 H ASP A 124 -8.968 -3.867 4.439 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.671 -6.168 3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -9.627 -5.127 6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -10.315 -6.710 6.232 1.00 0.00 H new ATOM 1928 N PHE A 125 -12.836 -5.217 4.582 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.123 -4.938 5.187 1.00 0.00 C ATOM 1930 C PHE A 125 -14.675 -6.242 5.739 1.00 0.00 C ATOM 1931 O PHE A 125 -14.714 -7.243 5.021 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.088 -4.315 4.173 1.00 0.00 C ATOM 1933 CG PHE A 125 -14.752 -2.899 3.804 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -15.218 -1.841 4.570 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -13.975 -2.624 2.690 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -14.915 -0.537 4.231 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -13.668 -1.321 2.346 1.00 0.00 C ATOM 1938 CZ PHE A 125 -14.141 -0.276 3.118 1.00 0.00 C ATOM 0 H PHE A 125 -12.881 -5.853 3.786 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.005 -4.213 5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.093 -4.924 3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.098 -4.344 4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -15.825 -2.039 5.441 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.605 -3.437 2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -15.283 0.278 4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -13.060 -1.120 1.476 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.905 0.743 2.851 1.00 0.00 H new ATOM 1948 N SER A 126 -15.086 -6.249 6.993 1.00 0.00 N ATOM 1949 CA SER A 126 -15.547 -7.477 7.627 1.00 0.00 C ATOM 1950 C SER A 126 -16.804 -8.012 6.938 1.00 0.00 C ATOM 1951 O SER A 126 -17.903 -7.493 7.142 1.00 0.00 O ATOM 1952 CB SER A 126 -15.814 -7.217 9.110 1.00 0.00 C ATOM 1953 OG SER A 126 -14.666 -6.665 9.742 1.00 0.00 O ATOM 0 H SER A 126 -15.111 -5.425 7.593 1.00 0.00 H new ATOM 0 HA SER A 126 -14.770 -8.235 7.531 1.00 0.00 H new ATOM 0 HB2 SER A 126 -16.657 -6.535 9.218 1.00 0.00 H new ATOM 0 HB3 SER A 126 -16.093 -8.149 9.602 1.00 0.00 H new ATOM 0 HG SER A 126 -14.859 -6.505 10.689 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.630 -9.048 6.117 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.743 -9.657 5.393 1.00 0.00 C ATOM 1961 C LEU A 127 -18.753 -10.288 6.346 1.00 0.00 C ATOM 1962 O LEU A 127 -18.514 -11.350 6.917 1.00 0.00 O ATOM 1963 CB LEU A 127 -17.234 -10.695 4.386 1.00 0.00 C ATOM 1964 CG LEU A 127 -17.211 -10.216 2.933 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -16.549 -11.238 2.020 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.621 -9.927 2.450 1.00 0.00 C ATOM 0 H LEU A 127 -15.725 -9.483 5.937 1.00 0.00 H new ATOM 0 HA LEU A 127 -18.252 -8.863 4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -16.226 -10.995 4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -17.862 -11.584 4.452 1.00 0.00 H new ATOM 0 HG LEU A 127 -16.623 -9.299 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.550 -10.865 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.522 -11.405 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -17.100 -12.177 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -18.589 -9.587 1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -19.221 -10.835 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -19.067 -9.151 3.073 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.871 -9.600 6.527 1.00 0.00 N ATOM 1979 CA ARG A 128 -20.949 -10.078 7.368 1.00 0.00 C ATOM 1980 C ARG A 128 -22.091 -10.639 6.529 1.00 0.00 C ATOM 1981 O ARG A 128 -22.967 -11.338 7.035 1.00 0.00 O ATOM 1982 CB ARG A 128 -21.463 -8.930 8.230 1.00 0.00 C ATOM 1983 CG ARG A 128 -20.498 -8.496 9.319 1.00 0.00 C ATOM 1984 CD ARG A 128 -21.079 -7.366 10.150 1.00 0.00 C ATOM 1985 NE ARG A 128 -22.412 -7.693 10.653 1.00 0.00 N ATOM 1986 CZ ARG A 128 -23.113 -6.921 11.477 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -22.578 -5.811 11.977 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -24.343 -7.275 11.822 1.00 0.00 N ATOM 0 H ARG A 128 -20.052 -8.695 6.093 1.00 0.00 H new ATOM 0 HA ARG A 128 -20.566 -10.878 8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.679 -8.076 7.588 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -22.405 -9.228 8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.268 -9.344 9.964 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -19.559 -8.174 8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -20.416 -7.153 10.989 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -21.130 -6.460 9.546 1.00 0.00 H new ATOM 0 HE ARG A 128 -22.832 -8.572 10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -21.624 -5.548 11.729 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -23.121 -5.223 12.609 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -24.747 -8.137 11.455 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -24.885 -6.686 12.454 1.00 0.00 H new