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 150:sc= 0.21 USER MOD Single : A 46 ASN : amide:sc= -0.0843 K(o=-0.084,f=-1.6!) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 1.07 (180deg=1.07) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -133:sc= 0.382 (180deg=-0.317) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.251 K(o=-0.25,f=-4.5!) USER MOD Single : A 65 GLN : amide:sc= -0.488 K(o=-0.49,f=-4.9!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 73 GLN : amide:sc= -0.555 K(o=-0.56,f=-5.5!) USER MOD Single : A 75 HIS : no HD1:sc= -1.82! K(o=-1.8!,f=-0.0023) 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 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -5.5! C(o=-5.5!,f=-11!) USER MOD Single : A 99 LYS NZ :NH3+ -147:sc= 0.313 (180deg=-0.0269) USER MOD Single : A 102 SER OG : rot 26:sc= 0.656 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.198 USER MOD Single : A 114 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.76) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 507 N TRP A 37 1.755 4.766 9.254 1.00 0.00 N ATOM 508 CA TRP A 37 1.385 5.223 7.923 1.00 0.00 C ATOM 509 C TRP A 37 -0.087 4.920 7.636 1.00 0.00 C ATOM 510 O TRP A 37 -0.750 5.663 6.917 1.00 0.00 O ATOM 511 CB TRP A 37 2.298 4.585 6.861 1.00 0.00 C ATOM 512 CG TRP A 37 2.014 3.137 6.571 1.00 0.00 C ATOM 513 CD1 TRP A 37 1.823 2.124 7.472 1.00 0.00 C ATOM 514 CD2 TRP A 37 1.919 2.540 5.275 1.00 0.00 C ATOM 515 NE1 TRP A 37 1.582 0.944 6.812 1.00 0.00 N ATOM 516 CE2 TRP A 37 1.647 1.173 5.462 1.00 0.00 C ATOM 517 CE3 TRP A 37 2.034 3.033 3.973 1.00 0.00 C ATOM 518 CZ2 TRP A 37 1.484 0.296 4.392 1.00 0.00 C ATOM 519 CZ3 TRP A 37 1.875 2.162 2.914 1.00 0.00 C ATOM 520 CH2 TRP A 37 1.605 0.807 3.129 1.00 0.00 C ATOM 0 HA TRP A 37 1.519 6.304 7.880 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.204 5.151 5.934 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.333 4.679 7.189 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.857 2.236 8.546 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.387 0.045 7.253 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.244 4.078 3.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.270 -0.750 4.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.960 2.533 1.903 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.490 0.150 2.280 1.00 0.00 H new ATOM 531 N ARG A 38 -0.593 3.839 8.225 1.00 0.00 N ATOM 532 CA ARG A 38 -1.985 3.445 8.043 1.00 0.00 C ATOM 533 C ARG A 38 -2.928 4.424 8.731 1.00 0.00 C ATOM 534 O ARG A 38 -4.065 4.611 8.297 1.00 0.00 O ATOM 535 CB ARG A 38 -2.229 2.004 8.521 1.00 0.00 C ATOM 536 CG ARG A 38 -1.426 1.587 9.751 1.00 0.00 C ATOM 537 CD ARG A 38 -2.016 2.117 11.049 1.00 0.00 C ATOM 538 NE ARG A 38 -1.150 1.833 12.194 1.00 0.00 N ATOM 539 CZ ARG A 38 -1.475 2.090 13.462 1.00 0.00 C ATOM 540 NH1 ARG A 38 -2.657 2.615 13.762 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -0.617 1.811 14.433 1.00 0.00 N ATOM 0 H ARG A 38 -0.057 3.220 8.833 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.198 3.474 6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.290 1.885 8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.994 1.322 7.704 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.379 0.499 9.796 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.402 1.946 9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.169 3.193 10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.995 1.668 11.213 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.239 1.411 12.011 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.325 2.825 13.020 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.897 2.808 14.734 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.290 1.401 14.210 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.864 2.007 15.403 1.00 0.00 H new ATOM 555 N SER A 39 -2.444 5.060 9.791 1.00 0.00 N ATOM 556 CA SER A 39 -3.211 6.086 10.472 1.00 0.00 C ATOM 557 C SER A 39 -3.375 7.276 9.537 1.00 0.00 C ATOM 558 O SER A 39 -4.428 7.919 9.496 1.00 0.00 O ATOM 559 CB SER A 39 -2.503 6.512 11.760 1.00 0.00 C ATOM 560 OG SER A 39 -2.139 5.383 12.536 1.00 0.00 O ATOM 0 H SER A 39 -1.524 4.881 10.194 1.00 0.00 H new ATOM 0 HA SER A 39 -4.192 5.694 10.741 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.613 7.092 11.515 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.157 7.162 12.341 1.00 0.00 H new ATOM 0 HG SER A 39 -1.687 5.680 13.353 1.00 0.00 H new ATOM 566 N ARG A 40 -2.327 7.537 8.759 1.00 0.00 N ATOM 567 CA ARG A 40 -2.348 8.594 7.783 1.00 0.00 C ATOM 568 C ARG A 40 -3.225 8.177 6.605 1.00 0.00 C ATOM 569 O ARG A 40 -4.018 8.963 6.093 1.00 0.00 O ATOM 570 CB ARG A 40 -0.929 8.884 7.287 1.00 0.00 C ATOM 571 CG ARG A 40 0.186 8.677 8.308 1.00 0.00 C ATOM 572 CD ARG A 40 0.044 9.576 9.528 1.00 0.00 C ATOM 573 NE ARG A 40 -0.044 10.992 9.175 1.00 0.00 N ATOM 574 CZ ARG A 40 0.997 11.821 9.106 1.00 0.00 C ATOM 575 NH1 ARG A 40 2.242 11.361 9.198 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 0.783 13.111 8.895 1.00 0.00 N ATOM 0 H ARG A 40 -1.450 7.018 8.796 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.752 9.496 8.243 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.729 8.248 6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.890 9.916 6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.190 7.635 8.629 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.148 8.868 7.832 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.847 9.288 10.085 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.897 9.422 10.189 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.967 11.372 8.967 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.409 10.363 9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.030 12.007 9.144 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.170 13.459 8.788 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.571 13.756 8.840 1.00 0.00 H new ATOM 590 N ILE A 41 -3.056 6.927 6.175 1.00 0.00 N ATOM 591 CA ILE A 41 -3.831 6.363 5.073 1.00 0.00 C ATOM 592 C ILE A 41 -5.331 6.428 5.379 1.00 0.00 C ATOM 593 O ILE A 41 -6.150 6.654 4.490 1.00 0.00 O ATOM 594 CB ILE A 41 -3.418 4.894 4.801 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.062 4.854 4.092 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.478 4.154 3.987 1.00 0.00 C ATOM 597 CD1 ILE A 41 -1.570 3.453 3.799 1.00 0.00 C ATOM 0 H ILE A 41 -2.380 6.279 6.580 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.623 6.957 4.183 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.331 4.383 5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.135 5.407 3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.324 5.367 4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.154 3.127 3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.420 4.151 4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.617 4.655 3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.604 3.504 3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.464 2.902 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.287 2.943 3.156 1.00 0.00 H new ATOM 609 N SER A 42 -5.693 6.219 6.636 1.00 0.00 N ATOM 610 CA SER A 42 -7.083 6.358 7.041 1.00 0.00 C ATOM 611 C SER A 42 -7.549 7.795 6.797 1.00 0.00 C ATOM 612 O SER A 42 -8.619 8.029 6.229 1.00 0.00 O ATOM 613 CB SER A 42 -7.257 5.971 8.513 1.00 0.00 C ATOM 614 OG SER A 42 -8.389 5.129 8.688 1.00 0.00 O ATOM 0 H SER A 42 -5.052 5.956 7.385 1.00 0.00 H new ATOM 0 HA SER A 42 -7.697 5.683 6.444 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.361 5.460 8.867 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.371 6.870 9.118 1.00 0.00 H new ATOM 0 HG SER A 42 -8.235 4.528 9.447 1.00 0.00 H new ATOM 620 N GLY A 43 -6.713 8.752 7.186 1.00 0.00 N ATOM 621 CA GLY A 43 -7.021 10.152 6.958 1.00 0.00 C ATOM 622 C GLY A 43 -7.078 10.502 5.479 1.00 0.00 C ATOM 623 O GLY A 43 -7.935 11.279 5.053 1.00 0.00 O ATOM 0 H GLY A 43 -5.824 8.582 7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.978 10.390 7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.268 10.771 7.446 1.00 0.00 H new ATOM 627 N ARG A 44 -6.171 9.915 4.693 1.00 0.00 N ATOM 628 CA ARG A 44 -6.131 10.149 3.249 1.00 0.00 C ATOM 629 C ARG A 44 -7.482 9.795 2.620 1.00 0.00 C ATOM 630 O ARG A 44 -7.916 10.426 1.662 1.00 0.00 O ATOM 631 CB ARG A 44 -5.029 9.305 2.570 1.00 0.00 C ATOM 632 CG ARG A 44 -5.557 7.969 2.069 1.00 0.00 C ATOM 633 CD ARG A 44 -4.488 7.000 1.580 1.00 0.00 C ATOM 634 NE ARG A 44 -5.085 5.686 1.302 1.00 0.00 N ATOM 635 CZ ARG A 44 -4.658 4.815 0.377 1.00 0.00 C ATOM 636 NH1 ARG A 44 -3.634 5.106 -0.415 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -5.282 3.651 0.236 1.00 0.00 N ATOM 0 H ARG A 44 -5.455 9.274 5.034 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.910 11.205 3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.608 9.864 1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.218 9.131 3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.119 7.492 2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.259 8.154 1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.016 7.392 0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.705 6.900 2.332 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.894 5.414 1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.159 6.004 -0.325 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.322 4.432 -1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.080 3.425 0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.963 2.983 -0.466 1.00 0.00 H new ATOM 651 N LEU A 45 -8.135 8.773 3.165 1.00 0.00 N ATOM 652 CA LEU A 45 -9.363 8.271 2.609 1.00 0.00 C ATOM 653 C LEU A 45 -10.525 9.161 2.993 1.00 0.00 C ATOM 654 O LEU A 45 -11.449 9.340 2.228 1.00 0.00 O ATOM 655 CB LEU A 45 -9.579 6.850 3.100 1.00 0.00 C ATOM 656 CG LEU A 45 -9.554 5.788 1.999 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.030 4.464 2.539 1.00 0.00 C ATOM 658 CD2 LEU A 45 -10.942 5.608 1.415 1.00 0.00 C ATOM 0 H LEU A 45 -7.820 8.279 4.000 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.299 8.269 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.810 6.612 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.538 6.799 3.615 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.881 6.125 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.021 3.723 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.017 4.601 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.676 4.119 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.912 4.850 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.629 5.292 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.284 6.553 0.992 1.00 0.00 H new ATOM 670 N ASN A 46 -10.438 9.750 4.171 1.00 0.00 N ATOM 671 CA ASN A 46 -11.484 10.633 4.677 1.00 0.00 C ATOM 672 C ASN A 46 -11.467 11.915 3.875 1.00 0.00 C ATOM 673 O ASN A 46 -12.485 12.586 3.693 1.00 0.00 O ATOM 674 CB ASN A 46 -11.265 10.932 6.162 1.00 0.00 C ATOM 675 CG ASN A 46 -12.466 11.598 6.807 1.00 0.00 C ATOM 676 OD1 ASN A 46 -13.363 10.923 7.307 1.00 0.00 O ATOM 677 ND2 ASN A 46 -12.490 12.918 6.812 1.00 0.00 N ATOM 0 H ASN A 46 -9.647 9.634 4.804 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.453 10.146 4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.044 10.003 6.687 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.393 11.576 6.274 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.272 13.412 7.241 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.726 13.444 6.387 1.00 0.00 H new ATOM 684 N ARG A 47 -10.276 12.225 3.402 1.00 0.00 N ATOM 685 CA ARG A 47 -10.038 13.323 2.498 1.00 0.00 C ATOM 686 C ARG A 47 -10.852 13.162 1.208 1.00 0.00 C ATOM 687 O ARG A 47 -11.080 14.137 0.488 1.00 0.00 O ATOM 688 CB ARG A 47 -8.524 13.389 2.245 1.00 0.00 C ATOM 689 CG ARG A 47 -8.080 13.474 0.794 1.00 0.00 C ATOM 690 CD ARG A 47 -6.584 13.203 0.693 1.00 0.00 C ATOM 691 NE ARG A 47 -6.045 13.482 -0.638 1.00 0.00 N ATOM 692 CZ ARG A 47 -4.745 13.673 -0.885 1.00 0.00 C ATOM 693 NH1 ARG A 47 -3.873 13.682 0.118 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -4.320 13.876 -2.129 1.00 0.00 N ATOM 0 H ARG A 47 -9.431 11.707 3.643 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.370 14.266 2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.128 14.256 2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.065 12.506 2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.631 12.751 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.308 14.461 0.392 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.059 13.813 1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.390 12.161 0.947 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.697 13.534 -1.421 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.196 13.543 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.881 13.828 -0.070 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.987 13.887 -2.901 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.327 14.021 -2.311 1.00 0.00 H new ATOM 708 N PHE A 48 -11.319 11.941 0.924 1.00 0.00 N ATOM 709 CA PHE A 48 -12.167 11.724 -0.239 1.00 0.00 C ATOM 710 C PHE A 48 -13.495 11.038 0.118 1.00 0.00 C ATOM 711 O PHE A 48 -14.570 11.588 -0.131 1.00 0.00 O ATOM 712 CB PHE A 48 -11.433 10.913 -1.312 1.00 0.00 C ATOM 713 CG PHE A 48 -10.342 11.668 -2.018 1.00 0.00 C ATOM 714 CD1 PHE A 48 -10.600 12.893 -2.612 1.00 0.00 C ATOM 715 CD2 PHE A 48 -9.060 11.150 -2.089 1.00 0.00 C ATOM 716 CE1 PHE A 48 -9.596 13.587 -3.264 1.00 0.00 C ATOM 717 CE2 PHE A 48 -8.054 11.838 -2.741 1.00 0.00 C ATOM 718 CZ PHE A 48 -8.323 13.059 -3.329 1.00 0.00 C ATOM 0 H PHE A 48 -11.125 11.106 1.476 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.403 12.712 -0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -11.003 10.025 -0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.157 10.569 -2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.595 13.310 -2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.843 10.197 -1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.809 14.542 -3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.059 11.422 -2.791 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.539 13.599 -3.838 1.00 0.00 H new ATOM 728 N LYS A 49 -13.408 9.862 0.724 1.00 0.00 N ATOM 729 CA LYS A 49 -14.575 9.060 1.095 1.00 0.00 C ATOM 730 C LYS A 49 -14.200 8.084 2.202 1.00 0.00 C ATOM 731 O LYS A 49 -13.574 7.062 1.939 1.00 0.00 O ATOM 732 CB LYS A 49 -15.108 8.237 -0.092 1.00 0.00 C ATOM 733 CG LYS A 49 -16.004 8.991 -1.060 1.00 0.00 C ATOM 734 CD LYS A 49 -16.622 8.047 -2.085 1.00 0.00 C ATOM 735 CE LYS A 49 -17.519 7.005 -1.427 1.00 0.00 C ATOM 736 NZ LYS A 49 -18.038 6.008 -2.407 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.519 9.430 0.976 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.347 9.755 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.258 7.838 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.662 7.384 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.794 9.500 -0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -15.426 9.760 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.202 8.623 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.830 7.546 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.960 6.488 -0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.357 7.505 -0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.615 5.300 -1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.622 6.492 -3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.240 5.535 -2.877 1.00 0.00 H new ATOM 750 N ARG A 50 -14.577 8.376 3.430 1.00 0.00 N ATOM 751 CA ARG A 50 -14.316 7.448 4.515 1.00 0.00 C ATOM 752 C ARG A 50 -15.593 7.184 5.288 1.00 0.00 C ATOM 753 O ARG A 50 -16.044 8.010 6.080 1.00 0.00 O ATOM 754 CB ARG A 50 -13.224 7.988 5.435 1.00 0.00 C ATOM 755 CG ARG A 50 -12.717 6.981 6.454 1.00 0.00 C ATOM 756 CD ARG A 50 -11.461 7.493 7.134 1.00 0.00 C ATOM 757 NE ARG A 50 -10.982 6.606 8.197 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.242 6.778 9.496 1.00 0.00 C ATOM 759 NH1 ARG A 50 -12.048 7.757 9.897 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -10.690 5.965 10.389 1.00 0.00 N ATOM 0 H ARG A 50 -15.058 9.234 3.701 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.963 6.506 4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.385 8.326 4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.607 8.861 5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.489 6.791 7.200 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.509 6.031 5.962 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.675 7.615 6.389 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.658 8.480 7.553 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.412 5.804 7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.472 8.382 9.211 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.242 7.883 10.890 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.071 5.214 10.082 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.884 6.091 11.382 1.00 0.00 H new ATOM 774 N TYR A 51 -16.169 6.025 5.042 1.00 0.00 N ATOM 775 CA TYR A 51 -17.427 5.653 5.641 1.00 0.00 C ATOM 776 C TYR A 51 -17.200 4.588 6.705 1.00 0.00 C ATOM 777 O TYR A 51 -16.503 3.603 6.455 1.00 0.00 O ATOM 778 CB TYR A 51 -18.355 5.126 4.547 1.00 0.00 C ATOM 779 CG TYR A 51 -19.811 5.441 4.780 1.00 0.00 C ATOM 780 CD1 TYR A 51 -20.194 6.675 5.282 1.00 0.00 C ATOM 781 CD2 TYR A 51 -20.800 4.516 4.483 1.00 0.00 C ATOM 782 CE1 TYR A 51 -21.522 6.980 5.487 1.00 0.00 C ATOM 783 CE2 TYR A 51 -22.133 4.812 4.686 1.00 0.00 C ATOM 784 CZ TYR A 51 -22.490 6.045 5.189 1.00 0.00 C ATOM 785 OH TYR A 51 -23.819 6.343 5.391 1.00 0.00 O ATOM 0 H TYR A 51 -15.776 5.318 4.421 1.00 0.00 H new ATOM 0 HA TYR A 51 -17.884 6.520 6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.050 5.549 3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -18.234 4.045 4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -19.438 7.410 5.517 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.524 3.550 4.087 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -21.803 7.946 5.879 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -22.893 4.081 4.452 1.00 0.00 H new ATOM 0 HH TYR A 51 -24.370 5.576 5.129 1.00 0.00 H new ATOM 795 N PRO A 52 -17.755 4.788 7.911 1.00 0.00 N ATOM 796 CA PRO A 52 -17.679 3.803 9.000 1.00 0.00 C ATOM 797 C PRO A 52 -18.185 2.431 8.564 1.00 0.00 C ATOM 798 O PRO A 52 -19.246 2.316 7.945 1.00 0.00 O ATOM 799 CB PRO A 52 -18.592 4.392 10.077 1.00 0.00 C ATOM 800 CG PRO A 52 -18.586 5.858 9.813 1.00 0.00 C ATOM 801 CD PRO A 52 -18.486 6.001 8.320 1.00 0.00 C ATOM 0 HA PRO A 52 -16.655 3.640 9.337 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.599 3.981 10.011 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -18.221 4.168 11.077 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -19.494 6.328 10.192 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -17.745 6.342 10.310 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -19.470 6.054 7.854 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.951 6.908 8.038 1.00 0.00 H new ATOM 809 N LYS A 53 -17.423 1.395 8.913 1.00 0.00 N ATOM 810 CA LYS A 53 -17.693 0.026 8.474 1.00 0.00 C ATOM 811 C LYS A 53 -19.062 -0.449 8.937 1.00 0.00 C ATOM 812 O LYS A 53 -19.620 -1.383 8.364 1.00 0.00 O ATOM 813 CB LYS A 53 -16.618 -0.937 8.988 1.00 0.00 C ATOM 814 CG LYS A 53 -15.194 -0.611 8.538 1.00 0.00 C ATOM 815 CD LYS A 53 -15.023 -0.654 7.022 1.00 0.00 C ATOM 816 CE LYS A 53 -15.386 0.676 6.371 1.00 0.00 C ATOM 817 NZ LYS A 53 -14.532 1.789 6.870 1.00 0.00 N1+ ATOM 0 H LYS A 53 -16.600 1.481 9.509 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.677 0.032 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.647 -0.943 10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.866 -1.946 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.922 0.380 8.901 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.503 -1.319 8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.991 -0.907 6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.650 -1.444 6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.278 0.592 5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.433 0.904 6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.131 2.604 7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.013 1.476 7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.855 2.065 6.131 1.00 0.00 H new ATOM 831 N ASP A 54 -19.586 0.196 9.975 1.00 0.00 N ATOM 832 CA ASP A 54 -20.906 -0.128 10.515 1.00 0.00 C ATOM 833 C ASP A 54 -21.954 -0.137 9.410 1.00 0.00 C ATOM 834 O ASP A 54 -22.854 -0.971 9.399 1.00 0.00 O ATOM 835 CB ASP A 54 -21.314 0.901 11.572 1.00 0.00 C ATOM 836 CG ASP A 54 -20.478 0.831 12.833 1.00 0.00 C ATOM 837 OD1 ASP A 54 -19.264 1.130 12.772 1.00 0.00 O1- ATOM 838 OD2 ASP A 54 -21.031 0.474 13.893 1.00 0.00 O ATOM 0 H ASP A 54 -19.112 0.955 10.465 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.848 -1.119 10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.232 1.901 11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.362 0.749 11.831 1.00 0.00 H new ATOM 843 N ALA A 55 -21.825 0.800 8.482 1.00 0.00 N ATOM 844 CA ALA A 55 -22.739 0.889 7.354 1.00 0.00 C ATOM 845 C ALA A 55 -22.440 -0.181 6.314 1.00 0.00 C ATOM 846 O ALA A 55 -23.348 -0.816 5.782 1.00 0.00 O ATOM 847 CB ALA A 55 -22.655 2.266 6.724 1.00 0.00 C ATOM 0 H ALA A 55 -21.094 1.511 8.489 1.00 0.00 H new ATOM 0 HA ALA A 55 -23.750 0.724 7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -23.343 2.323 5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -22.924 3.021 7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.638 2.445 6.375 1.00 0.00 H new ATOM 853 N LEU A 56 -21.157 -0.385 6.045 1.00 0.00 N ATOM 854 CA LEU A 56 -20.721 -1.306 4.998 1.00 0.00 C ATOM 855 C LEU A 56 -21.121 -2.734 5.329 1.00 0.00 C ATOM 856 O LEU A 56 -21.461 -3.511 4.442 1.00 0.00 O ATOM 857 CB LEU A 56 -19.200 -1.236 4.799 1.00 0.00 C ATOM 858 CG LEU A 56 -18.651 0.040 4.146 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.354 0.329 2.832 1.00 0.00 C ATOM 860 CD2 LEU A 56 -18.764 1.237 5.074 1.00 0.00 C ATOM 0 H LEU A 56 -20.394 0.077 6.540 1.00 0.00 H new ATOM 0 HA LEU A 56 -21.213 -1.003 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.723 -1.353 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -18.896 -2.088 4.191 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.594 -0.134 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.944 1.238 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -19.202 -0.505 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.421 0.462 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.365 2.121 4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -19.811 1.404 5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.197 1.046 5.985 1.00 0.00 H new ATOM 872 N ARG A 57 -21.096 -3.066 6.612 1.00 0.00 N ATOM 873 CA ARG A 57 -21.453 -4.408 7.066 1.00 0.00 C ATOM 874 C ARG A 57 -22.912 -4.748 6.742 1.00 0.00 C ATOM 875 O ARG A 57 -23.308 -5.910 6.807 1.00 0.00 O ATOM 876 CB ARG A 57 -21.203 -4.554 8.571 1.00 0.00 C ATOM 877 CG ARG A 57 -19.750 -4.344 8.972 1.00 0.00 C ATOM 878 CD ARG A 57 -19.516 -4.622 10.452 1.00 0.00 C ATOM 879 NE ARG A 57 -20.379 -3.819 11.322 1.00 0.00 N ATOM 880 CZ ARG A 57 -19.945 -3.129 12.378 1.00 0.00 C ATOM 881 NH1 ARG A 57 -18.650 -3.075 12.665 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -20.815 -2.491 13.146 1.00 0.00 N ATOM 0 H ARG A 57 -20.832 -2.425 7.360 1.00 0.00 H new ATOM 0 HA ARG A 57 -20.817 -5.111 6.528 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -21.826 -3.836 9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -21.518 -5.548 8.888 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.112 -4.997 8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -19.457 -3.319 8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -19.690 -5.680 10.651 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -18.473 -4.419 10.695 1.00 0.00 H new ATOM 0 HE ARG A 57 -21.375 -3.785 11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.976 -3.564 12.076 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.329 -2.545 13.475 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -21.811 -2.529 12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -20.489 -1.962 13.955 1.00 0.00 H new ATOM 896 N LEU A 58 -23.705 -3.735 6.398 1.00 0.00 N ATOM 897 CA LEU A 58 -25.108 -3.941 6.051 1.00 0.00 C ATOM 898 C LEU A 58 -25.390 -3.481 4.621 1.00 0.00 C ATOM 899 O LEU A 58 -26.547 -3.321 4.227 1.00 0.00 O ATOM 900 CB LEU A 58 -26.031 -3.181 7.012 1.00 0.00 C ATOM 901 CG LEU A 58 -26.131 -3.734 8.439 1.00 0.00 C ATOM 902 CD1 LEU A 58 -24.872 -3.435 9.236 1.00 0.00 C ATOM 903 CD2 LEU A 58 -27.347 -3.152 9.141 1.00 0.00 C ATOM 0 H LEU A 58 -23.399 -2.763 6.352 1.00 0.00 H new ATOM 0 HA LEU A 58 -25.307 -5.010 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -25.689 -2.148 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -27.032 -3.162 6.582 1.00 0.00 H new ATOM 0 HG LEU A 58 -26.239 -4.817 8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -24.974 -3.840 10.243 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -24.013 -3.894 8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -24.724 -2.357 9.292 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -27.408 -3.551 10.153 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -27.258 -2.067 9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -28.248 -3.420 8.590 1.00 0.00 H new ATOM 915 N LYS A 59 -24.338 -3.266 3.848 1.00 0.00 N ATOM 916 CA LYS A 59 -24.495 -2.760 2.493 1.00 0.00 C ATOM 917 C LYS A 59 -23.488 -3.411 1.550 1.00 0.00 C ATOM 918 O LYS A 59 -23.833 -4.316 0.789 1.00 0.00 O ATOM 919 CB LYS A 59 -24.339 -1.235 2.480 1.00 0.00 C ATOM 920 CG LYS A 59 -24.497 -0.611 1.104 1.00 0.00 C ATOM 921 CD LYS A 59 -24.241 0.888 1.139 1.00 0.00 C ATOM 922 CE LYS A 59 -25.145 1.589 2.142 1.00 0.00 C ATOM 923 NZ LYS A 59 -24.903 3.052 2.175 1.00 0.00 N1+ ATOM 0 H LYS A 59 -23.373 -3.432 4.132 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.496 -3.013 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.077 -0.799 3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -23.356 -0.977 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.804 -1.083 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -25.503 -0.801 0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.198 1.073 1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -24.403 1.308 0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -26.187 1.399 1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.979 1.171 3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.538 3.493 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.915 3.234 2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -25.086 3.455 1.234 1.00 0.00 H new ATOM 937 N ARG A 60 -22.242 -2.969 1.623 1.00 0.00 N ATOM 938 CA ARG A 60 -21.196 -3.479 0.757 1.00 0.00 C ATOM 939 C ARG A 60 -19.984 -3.849 1.588 1.00 0.00 C ATOM 940 O ARG A 60 -19.218 -2.983 2.004 1.00 0.00 O ATOM 941 CB ARG A 60 -20.797 -2.444 -0.299 1.00 0.00 C ATOM 942 CG ARG A 60 -21.942 -2.003 -1.202 1.00 0.00 C ATOM 943 CD ARG A 60 -22.512 -3.163 -2.000 1.00 0.00 C ATOM 944 NE ARG A 60 -23.557 -2.727 -2.929 1.00 0.00 N ATOM 945 CZ ARG A 60 -24.416 -3.552 -3.533 1.00 0.00 C ATOM 946 NH1 ARG A 60 -24.406 -4.852 -3.260 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -25.291 -3.068 -4.404 1.00 0.00 N ATOM 0 H ARG A 60 -21.931 -2.253 2.279 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.578 -4.361 0.243 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.387 -1.568 0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -20.001 -2.859 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.731 -1.556 -0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.589 -1.231 -1.885 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -21.711 -3.649 -2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -22.921 -3.907 -1.317 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.634 -1.729 -3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -23.739 -5.226 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -25.065 -5.476 -3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -25.306 -2.069 -4.610 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -25.949 -3.695 -4.868 1.00 0.00 H new ATOM 961 N GLN A 61 -19.839 -5.129 1.851 1.00 0.00 N ATOM 962 CA GLN A 61 -18.715 -5.627 2.615 1.00 0.00 C ATOM 963 C GLN A 61 -17.890 -6.575 1.757 1.00 0.00 C ATOM 964 O GLN A 61 -18.330 -6.983 0.685 1.00 0.00 O ATOM 965 CB GLN A 61 -19.190 -6.321 3.897 1.00 0.00 C ATOM 966 CG GLN A 61 -20.039 -7.574 3.688 1.00 0.00 C ATOM 967 CD GLN A 61 -21.420 -7.283 3.129 1.00 0.00 C ATOM 968 OE1 GLN A 61 -21.626 -7.297 1.920 1.00 0.00 O ATOM 969 NE2 GLN A 61 -22.371 -7.005 4.005 1.00 0.00 N ATOM 0 H GLN A 61 -20.492 -5.850 1.544 1.00 0.00 H new ATOM 0 HA GLN A 61 -18.089 -4.785 2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -18.316 -6.590 4.490 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.766 -5.606 4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -19.516 -8.249 3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.143 -8.096 4.639 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -22.160 -7.003 5.003 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -23.315 -6.792 3.683 1.00 0.00 H new ATOM 978 N GLY A 62 -16.701 -6.922 2.218 1.00 0.00 N ATOM 979 CA GLY A 62 -15.834 -7.746 1.412 1.00 0.00 C ATOM 980 C GLY A 62 -14.367 -7.536 1.707 1.00 0.00 C ATOM 981 O GLY A 62 -13.936 -6.425 2.000 1.00 0.00 O ATOM 0 H GLY A 62 -16.325 -6.651 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.084 -8.794 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.020 -7.535 0.359 1.00 0.00 H new ATOM 985 N VAL A 63 -13.603 -8.610 1.630 1.00 0.00 N ATOM 986 CA VAL A 63 -12.162 -8.535 1.798 1.00 0.00 C ATOM 987 C VAL A 63 -11.473 -8.823 0.470 1.00 0.00 C ATOM 988 O VAL A 63 -11.782 -9.810 -0.201 1.00 0.00 O ATOM 989 CB VAL A 63 -11.667 -9.512 2.895 1.00 0.00 C ATOM 990 CG1 VAL A 63 -12.153 -10.929 2.634 1.00 0.00 C ATOM 991 CG2 VAL A 63 -10.149 -9.480 3.008 1.00 0.00 C ATOM 0 H VAL A 63 -13.958 -9.549 1.451 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.907 -7.526 2.122 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.089 -9.181 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.789 -11.589 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.243 -10.944 2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.776 -11.271 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.827 -10.174 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.707 -9.771 2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.824 -8.472 3.265 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.580 -7.935 0.074 1.00 0.00 N ATOM 1002 CA GLY A 64 -9.876 -8.105 -1.175 1.00 0.00 C ATOM 1003 C GLY A 64 -8.491 -7.507 -1.132 1.00 0.00 C ATOM 1004 O GLY A 64 -8.175 -6.707 -0.249 1.00 0.00 O ATOM 0 H GLY A 64 -10.329 -7.096 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.805 -9.167 -1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.447 -7.639 -1.979 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.667 -7.878 -2.091 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.310 -7.374 -2.150 1.00 0.00 C ATOM 1010 C GLN A 65 -6.206 -6.310 -3.234 1.00 0.00 C ATOM 1011 O GLN A 65 -6.553 -6.553 -4.394 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.324 -8.517 -2.406 1.00 0.00 C ATOM 1013 CG GLN A 65 -3.872 -8.090 -2.336 1.00 0.00 C ATOM 1014 CD GLN A 65 -2.912 -9.257 -2.438 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -2.510 -9.653 -3.530 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -2.534 -9.814 -1.301 1.00 0.00 N ATOM 0 H GLN A 65 -7.913 -8.526 -2.839 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.054 -6.922 -1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.498 -9.307 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.522 -8.944 -3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.666 -7.385 -3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.698 -7.563 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.890 -9.456 -0.415 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.886 -10.602 -1.310 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.729 -5.136 -2.853 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.736 -3.973 -3.728 1.00 0.00 C ATOM 1027 C VAL A 66 -4.336 -3.356 -3.823 1.00 0.00 C ATOM 1028 O VAL A 66 -3.795 -2.867 -2.835 1.00 0.00 O ATOM 1029 CB VAL A 66 -6.754 -2.937 -3.185 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.636 -1.588 -3.860 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -8.173 -3.460 -3.339 1.00 0.00 C ATOM 0 H VAL A 66 -5.327 -4.962 -1.932 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.031 -4.279 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.520 -2.795 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.373 -0.905 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.635 -1.187 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.814 -1.700 -4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.877 -2.722 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.381 -3.643 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.281 -4.390 -2.781 1.00 0.00 H new ATOM 1041 N ARG A 67 -3.740 -3.397 -5.009 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.408 -2.838 -5.206 1.00 0.00 C ATOM 1043 C ARG A 67 -2.490 -1.652 -6.157 1.00 0.00 C ATOM 1044 O ARG A 67 -3.304 -1.652 -7.084 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.423 -3.898 -5.738 1.00 0.00 C ATOM 1046 CG ARG A 67 -1.577 -4.227 -7.215 1.00 0.00 C ATOM 1047 CD ARG A 67 -0.286 -4.806 -7.776 1.00 0.00 C ATOM 1048 NE ARG A 67 0.081 -6.073 -7.140 1.00 0.00 N ATOM 1049 CZ ARG A 67 1.276 -6.322 -6.596 1.00 0.00 C ATOM 1050 NH1 ARG A 67 2.235 -5.406 -6.623 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 1.511 -7.498 -6.028 1.00 0.00 N ATOM 0 H ARG A 67 -4.155 -3.809 -5.845 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.028 -2.501 -4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.405 -3.549 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.550 -4.814 -5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.390 -4.940 -7.351 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.847 -3.327 -7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.397 -4.960 -8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.521 -4.087 -7.639 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.620 -6.813 -7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.064 -4.501 -7.062 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.144 -5.606 -6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.780 -8.209 -6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.422 -7.690 -5.612 1.00 0.00 H new ATOM 1065 N PHE A 68 -1.671 -0.636 -5.922 1.00 0.00 N ATOM 1066 CA PHE A 68 -1.736 0.581 -6.714 1.00 0.00 C ATOM 1067 C PHE A 68 -0.451 1.399 -6.628 1.00 0.00 C ATOM 1068 O PHE A 68 0.380 1.186 -5.745 1.00 0.00 O ATOM 1069 CB PHE A 68 -2.937 1.435 -6.288 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.163 1.539 -4.808 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -2.187 2.039 -3.962 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.375 1.143 -4.267 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -2.417 2.139 -2.603 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.612 1.245 -2.912 1.00 0.00 C ATOM 1075 CZ PHE A 68 -3.633 1.741 -2.079 1.00 0.00 C ATOM 0 H PHE A 68 -0.958 -0.631 -5.193 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.859 0.279 -7.754 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.807 2.440 -6.690 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.835 1.022 -6.747 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.237 2.354 -4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.144 0.749 -4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.648 2.527 -1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.563 0.937 -2.505 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.815 1.819 -1.017 1.00 0.00 H new ATOM 1085 N THR A 69 -0.308 2.333 -7.565 1.00 0.00 N ATOM 1086 CA THR A 69 0.810 3.267 -7.584 1.00 0.00 C ATOM 1087 C THR A 69 0.321 4.652 -7.207 1.00 0.00 C ATOM 1088 O THR A 69 -0.687 5.131 -7.735 1.00 0.00 O ATOM 1089 CB THR A 69 1.475 3.323 -8.968 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.658 1.994 -9.468 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.822 4.025 -8.888 1.00 0.00 C ATOM 0 H THR A 69 -0.967 2.462 -8.333 1.00 0.00 H new ATOM 0 HA THR A 69 1.550 2.919 -6.864 1.00 0.00 H new ATOM 0 HB THR A 69 0.828 3.884 -9.642 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.081 2.032 -10.351 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.276 4.054 -9.878 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.681 5.042 -8.523 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.475 3.482 -8.205 1.00 0.00 H new ATOM 1099 N LEU A 70 1.030 5.286 -6.296 1.00 0.00 N ATOM 1100 CA LEU A 70 0.591 6.546 -5.733 1.00 0.00 C ATOM 1101 C LEU A 70 1.583 7.663 -6.012 1.00 0.00 C ATOM 1102 O LEU A 70 2.798 7.466 -5.940 1.00 0.00 O ATOM 1103 CB LEU A 70 0.392 6.372 -4.233 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.647 5.319 -3.861 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.586 5.009 -2.372 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -2.034 5.789 -4.277 1.00 0.00 C ATOM 0 H LEU A 70 1.919 4.947 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.350 6.830 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.346 6.102 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.094 7.328 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.427 4.395 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.335 4.256 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.405 4.632 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.785 5.917 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.771 5.032 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.270 6.723 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.056 5.950 -5.355 1.00 0.00 H new ATOM 1118 N ASP A 71 1.046 8.826 -6.355 1.00 0.00 N ATOM 1119 CA ASP A 71 1.851 10.018 -6.570 1.00 0.00 C ATOM 1120 C ASP A 71 2.180 10.666 -5.234 1.00 0.00 C ATOM 1121 O ASP A 71 1.469 10.441 -4.256 1.00 0.00 O ATOM 1122 CB ASP A 71 1.097 11.015 -7.454 1.00 0.00 C ATOM 1123 CG ASP A 71 1.911 12.256 -7.762 1.00 0.00 C ATOM 1124 OD1 ASP A 71 2.787 12.198 -8.643 1.00 0.00 O1- ATOM 1125 OD2 ASP A 71 1.684 13.295 -7.106 1.00 0.00 O ATOM 0 H ASP A 71 0.045 8.968 -6.491 1.00 0.00 H new ATOM 0 HA ASP A 71 2.776 9.731 -7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.818 10.527 -8.388 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.171 11.307 -6.958 1.00 0.00 H new ATOM 1130 N ARG A 72 3.230 11.473 -5.190 1.00 0.00 N ATOM 1131 CA ARG A 72 3.624 12.150 -3.957 1.00 0.00 C ATOM 1132 C ARG A 72 2.469 12.995 -3.407 1.00 0.00 C ATOM 1133 O ARG A 72 2.264 13.074 -2.193 1.00 0.00 O ATOM 1134 CB ARG A 72 4.841 13.041 -4.201 1.00 0.00 C ATOM 1135 CG ARG A 72 5.353 13.724 -2.946 1.00 0.00 C ATOM 1136 CD ARG A 72 6.279 14.872 -3.291 1.00 0.00 C ATOM 1137 NE ARG A 72 5.573 15.929 -4.010 1.00 0.00 N ATOM 1138 CZ ARG A 72 6.177 16.881 -4.714 1.00 0.00 C ATOM 1139 NH1 ARG A 72 7.498 16.896 -4.823 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 5.453 17.815 -5.317 1.00 0.00 N ATOM 0 H ARG A 72 3.826 11.677 -5.992 1.00 0.00 H new ATOM 0 HA ARG A 72 3.882 11.387 -3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.642 12.439 -4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.583 13.801 -4.939 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.512 14.094 -2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.881 13.001 -2.324 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.713 15.279 -2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.105 14.505 -3.900 1.00 0.00 H new ATOM 0 HE ARG A 72 4.554 15.937 -3.969 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.056 16.175 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.957 17.629 -5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.436 17.801 -5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.913 18.547 -5.858 1.00 0.00 H new ATOM 1154 N GLN A 73 1.699 13.607 -4.307 1.00 0.00 N ATOM 1155 CA GLN A 73 0.583 14.461 -3.910 1.00 0.00 C ATOM 1156 C GLN A 73 -0.654 13.636 -3.582 1.00 0.00 C ATOM 1157 O GLN A 73 -1.718 14.178 -3.271 1.00 0.00 O ATOM 1158 CB GLN A 73 0.262 15.460 -5.021 1.00 0.00 C ATOM 1159 CG GLN A 73 1.418 16.392 -5.333 1.00 0.00 C ATOM 1160 CD GLN A 73 1.757 17.313 -4.175 1.00 0.00 C ATOM 1161 OE1 GLN A 73 2.917 17.677 -3.974 1.00 0.00 O ATOM 1162 NE2 GLN A 73 0.748 17.709 -3.418 1.00 0.00 N ATOM 0 H GLN A 73 1.829 13.526 -5.315 1.00 0.00 H new ATOM 0 HA GLN A 73 0.879 15.003 -3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.012 14.915 -5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.606 16.052 -4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.297 15.801 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.170 16.992 -6.208 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.198 17.384 -3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.916 18.339 -2.634 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.509 12.323 -3.642 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.611 11.447 -3.332 1.00 0.00 C ATOM 1173 C GLY A 74 -2.555 11.283 -4.494 1.00 0.00 C ATOM 1174 O GLY A 74 -3.769 11.180 -4.315 1.00 0.00 O ATOM 0 H GLY A 74 0.356 11.849 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.225 10.470 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.157 11.843 -2.476 1.00 0.00 H new ATOM 1178 N HIS A 75 -1.997 11.272 -5.686 1.00 0.00 N ATOM 1179 CA HIS A 75 -2.779 11.064 -6.887 1.00 0.00 C ATOM 1180 C HIS A 75 -2.637 9.621 -7.345 1.00 0.00 C ATOM 1181 O HIS A 75 -1.553 9.198 -7.745 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.329 12.033 -7.990 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.100 11.902 -9.270 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.189 12.687 -9.581 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -2.937 11.065 -10.320 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -4.661 12.336 -10.761 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -3.920 11.353 -11.231 1.00 0.00 N ATOM 0 H HIS A 75 -0.999 11.405 -5.850 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.829 11.262 -6.671 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.425 13.055 -7.623 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.272 11.867 -8.196 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.173 10.309 -10.422 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.511 12.779 -11.258 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -4.056 10.883 -12.126 1.00 0.00 H new ATOM 1196 N VAL A 76 -3.721 8.862 -7.226 1.00 0.00 N ATOM 1197 CA VAL A 76 -3.784 7.504 -7.752 1.00 0.00 C ATOM 1198 C VAL A 76 -3.284 7.452 -9.200 1.00 0.00 C ATOM 1199 O VAL A 76 -3.895 8.008 -10.116 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.226 6.940 -7.655 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.232 7.861 -8.339 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.301 5.530 -8.226 1.00 0.00 C ATOM 0 H VAL A 76 -4.577 9.169 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.130 6.880 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.490 6.891 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.232 7.436 -8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.212 8.841 -7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.972 7.965 -9.392 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.323 5.159 -8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.002 5.546 -9.274 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.632 4.875 -7.668 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.145 6.806 -9.389 1.00 0.00 N ATOM 1213 CA LEU A 77 -1.524 6.722 -10.703 1.00 0.00 C ATOM 1214 C LEU A 77 -1.830 5.383 -11.354 1.00 0.00 C ATOM 1215 O LEU A 77 -1.792 5.243 -12.575 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.014 6.908 -10.585 1.00 0.00 C ATOM 1217 CG LEU A 77 0.428 8.230 -9.959 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.903 8.182 -9.615 1.00 0.00 C ATOM 1219 CD2 LEU A 77 0.148 9.387 -10.904 1.00 0.00 C ATOM 0 H LEU A 77 -1.630 6.331 -8.648 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.933 7.516 -11.328 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.392 6.089 -9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.425 6.830 -11.580 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.142 8.384 -9.043 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.204 9.130 -9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.085 7.374 -8.906 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.482 8.007 -10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.469 10.320 -10.442 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.694 9.237 -11.835 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.921 9.435 -11.114 1.00 0.00 H new ATOM 1231 N ALA A 78 -2.133 4.408 -10.519 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.455 3.064 -10.967 1.00 0.00 C ATOM 1233 C ALA A 78 -3.301 2.390 -9.916 1.00 0.00 C ATOM 1234 O ALA A 78 -3.280 2.809 -8.767 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.186 2.256 -11.201 1.00 0.00 C ATOM 0 H ALA A 78 -2.163 4.525 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.001 3.122 -11.908 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.450 1.253 -11.536 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.579 2.745 -11.963 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.620 2.191 -10.272 1.00 0.00 H new ATOM 1241 N VAL A 79 -4.058 1.379 -10.302 1.00 0.00 N ATOM 1242 CA VAL A 79 -4.808 0.590 -9.346 1.00 0.00 C ATOM 1243 C VAL A 79 -5.167 -0.758 -9.964 1.00 0.00 C ATOM 1244 O VAL A 79 -5.579 -0.830 -11.123 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.075 1.324 -8.850 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -7.077 1.541 -9.973 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -6.709 0.568 -7.695 1.00 0.00 C ATOM 0 H VAL A 79 -4.169 1.086 -11.273 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.177 0.430 -8.472 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.770 2.309 -8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.953 2.060 -9.584 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.619 2.142 -10.758 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.378 0.577 -10.383 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.600 1.099 -7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.986 -0.434 -8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.997 0.496 -6.873 1.00 0.00 H new ATOM 1257 N THR A 80 -4.962 -1.826 -9.218 1.00 0.00 N ATOM 1258 CA THR A 80 -5.240 -3.158 -9.717 1.00 0.00 C ATOM 1259 C THR A 80 -5.771 -4.057 -8.610 1.00 0.00 C ATOM 1260 O THR A 80 -5.196 -4.121 -7.520 1.00 0.00 O ATOM 1261 CB THR A 80 -3.966 -3.788 -10.319 1.00 0.00 C ATOM 1262 OG1 THR A 80 -3.455 -2.938 -11.354 1.00 0.00 O ATOM 1263 CG2 THR A 80 -4.245 -5.173 -10.889 1.00 0.00 C ATOM 0 H THR A 80 -4.604 -1.797 -8.263 1.00 0.00 H new ATOM 0 HA THR A 80 -6.000 -3.067 -10.493 1.00 0.00 H new ATOM 0 HB THR A 80 -3.230 -3.892 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.645 -3.337 -11.735 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.326 -5.587 -11.305 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.611 -5.826 -10.096 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.997 -5.098 -11.674 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.879 -4.730 -8.885 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.393 -5.731 -7.975 1.00 0.00 C ATOM 1273 C LEU A 81 -6.530 -6.978 -8.075 1.00 0.00 C ATOM 1274 O LEU A 81 -6.546 -7.682 -9.085 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.847 -6.072 -8.288 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.506 -7.011 -7.280 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.784 -6.283 -5.972 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.786 -7.598 -7.851 1.00 0.00 C ATOM 0 H LEU A 81 -7.435 -4.598 -9.730 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.359 -5.334 -6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.422 -5.147 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.896 -6.528 -9.277 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.818 -7.831 -7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.254 -6.969 -5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.847 -5.917 -5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.451 -5.441 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.240 -8.264 -7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.481 -6.793 -8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.557 -8.159 -8.757 1.00 0.00 H new ATOM 1290 N VAL A 82 -5.778 -7.236 -7.027 1.00 0.00 N ATOM 1291 CA VAL A 82 -4.770 -8.282 -7.039 1.00 0.00 C ATOM 1292 C VAL A 82 -5.403 -9.624 -6.702 1.00 0.00 C ATOM 1293 O VAL A 82 -5.064 -10.654 -7.282 1.00 0.00 O ATOM 1294 CB VAL A 82 -3.651 -7.971 -6.027 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -2.283 -8.324 -6.585 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -3.693 -6.513 -5.621 1.00 0.00 C ATOM 0 H VAL A 82 -5.845 -6.730 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.338 -8.327 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.822 -8.588 -5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.517 -8.092 -5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.249 -9.388 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.099 -7.746 -7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.896 -6.311 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.557 -5.886 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.656 -6.291 -5.162 1.00 0.00 H new ATOM 1306 N SER A 83 -6.329 -9.594 -5.761 1.00 0.00 N ATOM 1307 CA SER A 83 -7.076 -10.782 -5.374 1.00 0.00 C ATOM 1308 C SER A 83 -8.460 -10.382 -4.881 1.00 0.00 C ATOM 1309 O SER A 83 -8.643 -9.274 -4.369 1.00 0.00 O ATOM 1310 CB SER A 83 -6.328 -11.558 -4.286 1.00 0.00 C ATOM 1311 OG SER A 83 -5.072 -12.014 -4.761 1.00 0.00 O ATOM 0 H SER A 83 -6.585 -8.752 -5.245 1.00 0.00 H new ATOM 0 HA SER A 83 -7.181 -11.430 -6.244 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.182 -10.920 -3.414 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.929 -12.408 -3.962 1.00 0.00 H new ATOM 0 HG SER A 83 -4.612 -12.505 -4.049 1.00 0.00 H new ATOM 1317 N SER A 84 -9.430 -11.266 -5.047 1.00 0.00 N ATOM 1318 CA SER A 84 -10.793 -10.979 -4.642 1.00 0.00 C ATOM 1319 C SER A 84 -11.435 -12.210 -4.011 1.00 0.00 C ATOM 1320 O SER A 84 -11.187 -13.340 -4.435 1.00 0.00 O ATOM 1321 CB SER A 84 -11.607 -10.501 -5.847 1.00 0.00 C ATOM 1322 OG SER A 84 -12.955 -10.237 -5.492 1.00 0.00 O ATOM 0 H SER A 84 -9.297 -12.189 -5.460 1.00 0.00 H new ATOM 0 HA SER A 84 -10.778 -10.186 -3.895 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.155 -9.599 -6.258 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.578 -11.258 -6.631 1.00 0.00 H new ATOM 0 HG SER A 84 -13.448 -9.932 -6.282 1.00 0.00 H new ATOM 1328 N ALA A 85 -12.246 -11.983 -2.986 1.00 0.00 N ATOM 1329 CA ALA A 85 -12.906 -13.065 -2.274 1.00 0.00 C ATOM 1330 C ALA A 85 -14.374 -13.177 -2.676 1.00 0.00 C ATOM 1331 O ALA A 85 -15.185 -13.764 -1.955 1.00 0.00 O ATOM 1332 CB ALA A 85 -12.782 -12.851 -0.778 1.00 0.00 C ATOM 0 H ALA A 85 -12.462 -11.052 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.415 -14.000 -2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.279 -13.666 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.728 -12.828 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.249 -11.905 -0.506 1.00 0.00 H new ATOM 1338 N GLY A 86 -14.710 -12.606 -3.825 1.00 0.00 N ATOM 1339 CA GLY A 86 -16.073 -12.672 -4.309 1.00 0.00 C ATOM 1340 C GLY A 86 -16.858 -11.412 -4.016 1.00 0.00 C ATOM 1341 O GLY A 86 -17.842 -11.447 -3.279 1.00 0.00 O ATOM 0 H GLY A 86 -14.063 -12.099 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.064 -12.848 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.576 -13.524 -3.851 1.00 0.00 H new ATOM 1345 N LEU A 87 -16.430 -10.296 -4.594 1.00 0.00 N ATOM 1346 CA LEU A 87 -17.110 -9.025 -4.379 1.00 0.00 C ATOM 1347 C LEU A 87 -17.631 -8.483 -5.711 1.00 0.00 C ATOM 1348 O LEU A 87 -16.971 -7.661 -6.348 1.00 0.00 O ATOM 1349 CB LEU A 87 -16.181 -7.968 -3.748 1.00 0.00 C ATOM 1350 CG LEU A 87 -15.418 -8.354 -2.471 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -16.318 -9.073 -1.493 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -14.186 -9.188 -2.784 1.00 0.00 C ATOM 0 H LEU A 87 -15.620 -10.245 -5.212 1.00 0.00 H new ATOM 0 HA LEU A 87 -17.933 -9.215 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.448 -7.675 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.781 -7.085 -3.526 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.081 -7.428 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.750 -9.333 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -17.149 -8.424 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -16.705 -9.982 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.673 -9.441 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.486 -10.103 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.514 -8.618 -3.426 1.00 0.00 H new ATOM 1364 N PRO A 88 -18.807 -8.944 -6.167 1.00 0.00 N ATOM 1365 CA PRO A 88 -19.389 -8.491 -7.430 1.00 0.00 C ATOM 1366 C PRO A 88 -20.024 -7.109 -7.303 1.00 0.00 C ATOM 1367 O PRO A 88 -19.395 -6.096 -7.606 1.00 0.00 O ATOM 1368 CB PRO A 88 -20.451 -9.557 -7.751 1.00 0.00 C ATOM 1369 CG PRO A 88 -20.308 -10.612 -6.694 1.00 0.00 C ATOM 1370 CD PRO A 88 -19.655 -9.944 -5.519 1.00 0.00 C ATOM 0 HA PRO A 88 -18.638 -8.388 -8.213 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -21.452 -9.126 -7.740 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.295 -9.976 -8.745 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.280 -11.021 -6.418 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.703 -11.444 -7.054 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.386 -9.488 -4.852 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -19.073 -10.647 -4.922 1.00 0.00 H new ATOM 1378 N SER A 89 -21.259 -7.069 -6.821 1.00 0.00 N ATOM 1379 CA SER A 89 -21.953 -5.810 -6.594 1.00 0.00 C ATOM 1380 C SER A 89 -21.305 -5.048 -5.446 1.00 0.00 C ATOM 1381 O SER A 89 -21.496 -3.846 -5.288 1.00 0.00 O ATOM 1382 CB SER A 89 -23.432 -6.070 -6.306 1.00 0.00 C ATOM 1383 OG SER A 89 -24.060 -6.701 -7.413 1.00 0.00 O ATOM 0 H SER A 89 -21.802 -7.898 -6.579 1.00 0.00 H new ATOM 0 HA SER A 89 -21.879 -5.199 -7.493 1.00 0.00 H new ATOM 0 HB2 SER A 89 -23.529 -6.698 -5.421 1.00 0.00 H new ATOM 0 HB3 SER A 89 -23.935 -5.128 -6.085 1.00 0.00 H new ATOM 0 HG SER A 89 -25.005 -6.859 -7.206 1.00 0.00 H new ATOM 1389 N LEU A 90 -20.531 -5.769 -4.652 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.838 -5.190 -3.513 1.00 0.00 C ATOM 1391 C LEU A 90 -18.715 -4.272 -3.978 1.00 0.00 C ATOM 1392 O LEU A 90 -18.446 -3.246 -3.357 1.00 0.00 O ATOM 1393 CB LEU A 90 -19.270 -6.308 -2.641 1.00 0.00 C ATOM 1394 CG LEU A 90 -20.278 -7.384 -2.249 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -19.554 -8.623 -1.762 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -21.220 -6.853 -1.181 1.00 0.00 C ATOM 0 H LEU A 90 -20.366 -6.768 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.546 -4.599 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -18.443 -6.780 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.857 -5.868 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.869 -7.654 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -20.283 -9.385 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.913 -9.006 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.945 -8.371 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.935 -7.629 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -20.646 -6.563 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.755 -5.985 -1.567 1.00 0.00 H new ATOM 1408 N ASP A 91 -18.093 -4.642 -5.099 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.939 -3.924 -5.641 1.00 0.00 C ATOM 1410 C ASP A 91 -17.241 -2.444 -5.827 1.00 0.00 C ATOM 1411 O ASP A 91 -16.444 -1.591 -5.442 1.00 0.00 O ATOM 1412 CB ASP A 91 -16.531 -4.543 -6.989 1.00 0.00 C ATOM 1413 CG ASP A 91 -15.508 -3.718 -7.763 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -15.913 -2.765 -8.467 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -14.299 -4.040 -7.707 1.00 0.00 O1- ATOM 0 H ASP A 91 -18.376 -5.448 -5.656 1.00 0.00 H new ATOM 0 HA ASP A 91 -16.119 -4.014 -4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -16.122 -5.538 -6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.422 -4.669 -7.604 1.00 0.00 H new ATOM 1420 N ARG A 92 -18.408 -2.152 -6.375 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.741 -0.796 -6.792 1.00 0.00 C ATOM 1422 C ARG A 92 -18.574 0.236 -5.667 1.00 0.00 C ATOM 1423 O ARG A 92 -17.960 1.277 -5.879 1.00 0.00 O ATOM 1424 CB ARG A 92 -20.156 -0.753 -7.377 1.00 0.00 C ATOM 1425 CG ARG A 92 -21.266 -1.040 -6.380 1.00 0.00 C ATOM 1426 CD ARG A 92 -22.562 -1.375 -7.091 1.00 0.00 C ATOM 1427 NE ARG A 92 -22.870 -0.411 -8.145 1.00 0.00 N ATOM 1428 CZ ARG A 92 -23.789 -0.601 -9.088 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -24.477 -1.733 -9.137 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -24.003 0.340 -9.994 1.00 0.00 N ATOM 0 H ARG A 92 -19.145 -2.837 -6.543 1.00 0.00 H new ATOM 0 HA ARG A 92 -18.027 -0.516 -7.567 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -20.324 0.232 -7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -20.220 -1.477 -8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.975 -1.870 -5.736 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -21.414 -0.173 -5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -22.492 -2.374 -7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -23.378 -1.396 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 92 -22.346 0.464 -8.159 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -24.303 -2.466 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -25.180 -1.871 -9.863 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -23.464 1.206 -9.967 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -24.706 0.199 -10.719 1.00 0.00 H new ATOM 1444 N GLU A 93 -19.111 -0.037 -4.481 1.00 0.00 N ATOM 1445 CA GLU A 93 -19.010 0.912 -3.371 1.00 0.00 C ATOM 1446 C GLU A 93 -17.628 0.872 -2.713 1.00 0.00 C ATOM 1447 O GLU A 93 -16.967 1.902 -2.583 1.00 0.00 O ATOM 1448 CB GLU A 93 -20.093 0.644 -2.326 1.00 0.00 C ATOM 1449 CG GLU A 93 -20.072 1.610 -1.141 1.00 0.00 C ATOM 1450 CD GLU A 93 -20.504 3.021 -1.505 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -19.665 3.805 -2.003 1.00 0.00 O1- ATOM 1452 OE2 GLU A 93 -21.689 3.354 -1.279 1.00 0.00 O ATOM 0 H GLU A 93 -19.615 -0.896 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.157 1.909 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -21.069 0.699 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.979 -0.374 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.727 1.228 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.065 1.642 -0.726 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.192 -0.322 -2.308 1.00 0.00 N ATOM 1460 CA ILE A 94 -15.960 -0.464 -1.533 1.00 0.00 C ATOM 1461 C ILE A 94 -14.733 -0.046 -2.334 1.00 0.00 C ATOM 1462 O ILE A 94 -13.803 0.545 -1.789 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.756 -1.904 -1.003 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.629 -2.909 -2.152 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -16.902 -2.291 -0.083 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -15.370 -4.332 -1.699 1.00 0.00 C ATOM 0 H ILE A 94 -17.672 -1.201 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.073 0.205 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.824 -1.927 -0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.545 -2.887 -2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.818 -2.594 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -16.748 -3.306 0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -16.940 -1.602 0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.842 -2.243 -0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.293 -4.983 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.439 -4.370 -1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -16.192 -4.668 -1.067 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.724 -0.344 -3.623 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.609 0.027 -4.449 1.00 0.00 C ATOM 1480 C GLN A 95 -13.734 1.474 -4.890 1.00 0.00 C ATOM 1481 O GLN A 95 -12.752 2.134 -5.138 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.505 -0.880 -5.654 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.394 -2.358 -5.305 1.00 0.00 C ATOM 1484 CD GLN A 95 -12.080 -2.734 -4.663 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -11.051 -2.105 -4.897 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -12.108 -3.781 -3.856 1.00 0.00 N ATOM 0 H GLN A 95 -15.474 -0.838 -4.108 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.699 -0.082 -3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.381 -0.731 -6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.634 -0.589 -6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.207 -2.625 -4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.527 -2.947 -6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.986 -4.274 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.252 -4.096 -3.399 1.00 0.00 H new ATOM 1495 N ALA A 96 -14.941 1.980 -4.999 1.00 0.00 N ATOM 1496 CA ALA A 96 -15.094 3.412 -5.193 1.00 0.00 C ATOM 1497 C ALA A 96 -14.400 4.119 -4.039 1.00 0.00 C ATOM 1498 O ALA A 96 -13.638 5.062 -4.231 1.00 0.00 O ATOM 1499 CB ALA A 96 -16.557 3.811 -5.270 1.00 0.00 C ATOM 0 H ALA A 96 -15.809 1.446 -4.959 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.641 3.702 -6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -16.633 4.889 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.031 3.298 -6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -17.059 3.534 -4.343 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.620 3.593 -2.844 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.052 4.122 -1.648 1.00 0.00 C ATOM 1507 C LEU A 97 -12.519 4.023 -1.646 1.00 0.00 C ATOM 1508 O LEU A 97 -11.835 5.028 -1.555 1.00 0.00 O ATOM 1509 CB LEU A 97 -14.630 3.321 -0.491 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.286 3.878 0.849 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.533 4.385 1.557 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -13.549 2.857 1.692 1.00 0.00 C ATOM 0 H LEU A 97 -15.209 2.774 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.294 5.181 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -15.715 3.283 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.268 2.295 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.616 4.725 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.259 4.787 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -15.998 5.169 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.237 3.563 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.311 3.291 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.178 1.978 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.627 2.567 1.188 1.00 0.00 H new ATOM 1524 N VAL A 98 -11.995 2.812 -1.776 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.540 2.590 -1.739 1.00 0.00 C ATOM 1526 C VAL A 98 -9.875 2.699 -3.120 1.00 0.00 C ATOM 1527 O VAL A 98 -8.891 3.417 -3.291 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.209 1.204 -1.143 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -8.715 0.931 -1.204 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -10.715 1.100 0.288 1.00 0.00 C ATOM 0 H VAL A 98 -12.547 1.964 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.140 3.383 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.717 0.448 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.507 -0.051 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.383 0.954 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.182 1.693 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.472 0.116 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.241 1.868 0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -11.796 1.241 0.303 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.428 1.992 -4.096 1.00 0.00 N ATOM 1541 CA LYS A 99 -9.833 1.891 -5.432 1.00 0.00 C ATOM 1542 C LYS A 99 -9.868 3.233 -6.169 1.00 0.00 C ATOM 1543 O LYS A 99 -8.999 3.513 -6.996 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.548 0.796 -6.257 1.00 0.00 C ATOM 1545 CG LYS A 99 -10.083 0.689 -7.701 1.00 0.00 C ATOM 1546 CD LYS A 99 -10.987 -0.222 -8.522 1.00 0.00 C ATOM 1547 CE LYS A 99 -11.025 -1.640 -7.973 1.00 0.00 C ATOM 1548 NZ LYS A 99 -12.051 -2.471 -8.659 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.299 1.472 -3.990 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.786 1.613 -5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.397 -0.166 -5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.620 0.994 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.063 1.682 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.063 0.307 -7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.997 0.188 -8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.638 -0.243 -9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.045 -2.102 -8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.237 -1.610 -6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.449 -3.157 -7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.810 -1.858 -9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.612 -2.980 -9.453 1.00 0.00 H new ATOM 1562 N ARG A 100 -10.866 4.067 -5.883 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.926 5.383 -6.501 1.00 0.00 C ATOM 1564 C ARG A 100 -10.163 6.385 -5.647 1.00 0.00 C ATOM 1565 O ARG A 100 -9.360 7.169 -6.159 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.385 5.823 -6.702 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.564 7.129 -7.467 1.00 0.00 C ATOM 1568 CD ARG A 100 -12.321 8.355 -6.595 1.00 0.00 C ATOM 1569 NE ARG A 100 -12.539 9.602 -7.325 1.00 0.00 N ATOM 1570 CZ ARG A 100 -12.447 10.814 -6.782 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -12.114 10.953 -5.504 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -12.687 11.892 -7.513 1.00 0.00 N ATOM 0 H ARG A 100 -11.629 3.858 -5.239 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.458 5.337 -7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -12.917 5.033 -7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.856 5.924 -5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -11.877 7.147 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -13.574 7.172 -7.875 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -12.984 8.321 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.300 8.332 -6.215 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.777 9.540 -8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -11.927 10.129 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -12.045 11.884 -5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.943 11.795 -8.496 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -12.616 12.819 -7.093 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.416 6.363 -4.345 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.721 7.255 -3.430 1.00 0.00 C ATOM 1588 C ALA A 101 -8.400 6.656 -2.983 1.00 0.00 C ATOM 1589 O ALA A 101 -8.274 6.194 -1.849 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.570 7.593 -2.207 1.00 0.00 C ATOM 0 H ALA A 101 -11.093 5.741 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.529 8.178 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.013 8.261 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.490 8.083 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.814 6.677 -1.669 1.00 0.00 H new ATOM 1596 N SER A 102 -7.418 6.648 -3.872 1.00 0.00 N ATOM 1597 CA SER A 102 -6.081 6.274 -3.465 1.00 0.00 C ATOM 1598 C SER A 102 -5.159 7.491 -3.472 1.00 0.00 C ATOM 1599 O SER A 102 -4.571 7.859 -4.488 1.00 0.00 O ATOM 1600 CB SER A 102 -5.541 5.151 -4.352 1.00 0.00 C ATOM 1601 OG SER A 102 -6.265 3.950 -4.147 1.00 0.00 O ATOM 0 H SER A 102 -7.521 6.891 -4.857 1.00 0.00 H new ATOM 0 HA SER A 102 -6.120 5.895 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.608 5.446 -5.399 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.486 4.986 -4.134 1.00 0.00 H new ATOM 0 HG SER A 102 -7.165 4.162 -3.823 1.00 0.00 H new ATOM 1607 N PRO A 103 -5.071 8.138 -2.302 1.00 0.00 N ATOM 1608 CA PRO A 103 -4.126 9.199 -1.994 1.00 0.00 C ATOM 1609 C PRO A 103 -2.890 8.673 -1.270 1.00 0.00 C ATOM 1610 O PRO A 103 -2.781 7.484 -0.977 1.00 0.00 O ATOM 1611 CB PRO A 103 -4.936 10.117 -1.057 1.00 0.00 C ATOM 1612 CG PRO A 103 -6.226 9.396 -0.798 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.989 7.972 -1.193 1.00 0.00 C ATOM 0 HA PRO A 103 -3.750 9.692 -2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.397 10.301 -0.128 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.116 11.088 -1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -6.509 9.468 0.252 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.040 9.832 -1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.554 7.387 -0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.909 7.469 -1.492 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.964 9.560 -0.979 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.736 9.195 -0.294 1.00 0.00 C ATOM 1623 C LEU A 104 -0.463 10.213 0.811 1.00 0.00 C ATOM 1624 O LEU A 104 0.041 11.299 0.533 1.00 0.00 O ATOM 1625 CB LEU A 104 0.415 9.179 -1.304 1.00 0.00 C ATOM 1626 CG LEU A 104 1.772 8.711 -0.776 1.00 0.00 C ATOM 1627 CD1 LEU A 104 1.855 7.188 -0.766 1.00 0.00 C ATOM 1628 CD2 LEU A 104 2.882 9.305 -1.624 1.00 0.00 C ATOM 0 H LEU A 104 -2.037 10.551 -1.208 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.829 8.204 0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.131 8.535 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.532 10.186 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 104 1.888 9.056 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.829 6.879 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.071 6.785 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.724 6.810 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.848 8.970 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.764 8.979 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.832 10.393 -1.579 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.803 9.901 2.078 1.00 0.00 N ATOM 1641 CA PRO A 105 -0.695 10.883 3.164 1.00 0.00 C ATOM 1642 C PRO A 105 0.742 11.080 3.642 1.00 0.00 C ATOM 1643 O PRO A 105 1.111 12.150 4.127 1.00 0.00 O ATOM 1644 CB PRO A 105 -1.540 10.255 4.261 1.00 0.00 C ATOM 1645 CG PRO A 105 -1.376 8.788 4.059 1.00 0.00 C ATOM 1646 CD PRO A 105 -1.286 8.583 2.573 1.00 0.00 C ATOM 0 HA PRO A 105 -1.020 11.877 2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -1.199 10.561 5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.585 10.553 4.178 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.478 8.423 4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.219 8.240 4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.595 7.779 2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.253 8.321 2.143 1.00 0.00 H new ATOM 1654 N THR A 106 1.541 10.038 3.502 1.00 0.00 N ATOM 1655 CA THR A 106 2.931 10.074 3.907 1.00 0.00 C ATOM 1656 C THR A 106 3.821 9.745 2.717 1.00 0.00 C ATOM 1657 O THR A 106 3.855 8.605 2.255 1.00 0.00 O ATOM 1658 CB THR A 106 3.201 9.106 5.089 1.00 0.00 C ATOM 1659 OG1 THR A 106 4.608 9.012 5.359 1.00 0.00 O ATOM 1660 CG2 THR A 106 2.634 7.716 4.815 1.00 0.00 C ATOM 0 H THR A 106 1.244 9.146 3.105 1.00 0.00 H new ATOM 0 HA THR A 106 3.165 11.080 4.256 1.00 0.00 H new ATOM 0 HB THR A 106 2.696 9.515 5.964 1.00 0.00 H new ATOM 0 HG1 THR A 106 4.757 8.398 6.108 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.842 7.065 5.664 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.556 7.785 4.666 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.098 7.304 3.919 1.00 0.00 H new ATOM 1668 N PRO A 107 4.523 10.756 2.184 1.00 0.00 N ATOM 1669 CA PRO A 107 5.371 10.603 0.997 1.00 0.00 C ATOM 1670 C PRO A 107 6.575 9.696 1.248 1.00 0.00 C ATOM 1671 O PRO A 107 7.515 10.066 1.957 1.00 0.00 O ATOM 1672 CB PRO A 107 5.830 12.033 0.693 1.00 0.00 C ATOM 1673 CG PRO A 107 5.706 12.761 1.988 1.00 0.00 C ATOM 1674 CD PRO A 107 4.541 12.138 2.699 1.00 0.00 C ATOM 0 HA PRO A 107 4.831 10.132 0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 107 6.857 12.049 0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.211 12.491 -0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.618 12.668 2.577 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.540 13.826 1.823 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.672 12.162 3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.610 12.661 2.479 1.00 0.00 H new ATOM 1682 N PRO A 108 6.558 8.486 0.675 1.00 0.00 N ATOM 1683 CA PRO A 108 7.658 7.539 0.782 1.00 0.00 C ATOM 1684 C PRO A 108 8.702 7.778 -0.302 1.00 0.00 C ATOM 1685 O PRO A 108 8.879 6.961 -1.209 1.00 0.00 O ATOM 1686 CB PRO A 108 6.943 6.206 0.586 1.00 0.00 C ATOM 1687 CG PRO A 108 5.893 6.519 -0.419 1.00 0.00 C ATOM 1688 CD PRO A 108 5.447 7.928 -0.120 1.00 0.00 C ATOM 0 HA PRO A 108 8.211 7.607 1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.624 5.434 0.228 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.511 5.842 1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.286 6.440 -1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.059 5.821 -0.344 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.283 8.498 -1.034 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.510 7.942 0.437 1.00 0.00 H new ATOM 1696 N ALA A 109 9.364 8.925 -0.212 1.00 0.00 N ATOM 1697 CA ALA A 109 10.433 9.276 -1.135 1.00 0.00 C ATOM 1698 C ALA A 109 11.436 8.139 -1.260 1.00 0.00 C ATOM 1699 O ALA A 109 11.807 7.750 -2.364 1.00 0.00 O ATOM 1700 CB ALA A 109 11.125 10.553 -0.682 1.00 0.00 C ATOM 0 H ALA A 109 9.176 9.633 0.498 1.00 0.00 H new ATOM 0 HA ALA A 109 9.994 9.449 -2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 109 11.922 10.803 -1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.401 11.367 -0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.548 10.405 0.312 1.00 0.00 H new ATOM 1706 N ASP A 110 11.830 7.591 -0.116 1.00 0.00 N ATOM 1707 CA ASP A 110 12.787 6.483 -0.065 1.00 0.00 C ATOM 1708 C ASP A 110 12.296 5.278 -0.868 1.00 0.00 C ATOM 1709 O ASP A 110 13.081 4.554 -1.475 1.00 0.00 O ATOM 1710 CB ASP A 110 13.028 6.074 1.392 1.00 0.00 C ATOM 1711 CG ASP A 110 14.020 4.934 1.532 1.00 0.00 C ATOM 1712 OD1 ASP A 110 15.231 5.206 1.618 1.00 0.00 O1- ATOM 1713 OD2 ASP A 110 13.587 3.765 1.592 1.00 0.00 O ATOM 0 H ASP A 110 11.500 7.897 0.799 1.00 0.00 H new ATOM 0 HA ASP A 110 13.721 6.824 -0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 110 13.393 6.936 1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.080 5.781 1.843 1.00 0.00 H new ATOM 1718 N ALA A 111 10.984 5.096 -0.898 1.00 0.00 N ATOM 1719 CA ALA A 111 10.386 3.934 -1.534 1.00 0.00 C ATOM 1720 C ALA A 111 10.280 4.098 -3.045 1.00 0.00 C ATOM 1721 O ALA A 111 10.359 3.119 -3.787 1.00 0.00 O ATOM 1722 CB ALA A 111 9.013 3.661 -0.939 1.00 0.00 C ATOM 0 H ALA A 111 10.311 5.743 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 111 11.041 3.084 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.574 2.788 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 111 9.111 3.473 0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.369 4.526 -1.098 1.00 0.00 H new ATOM 1728 N TYR A 112 10.101 5.326 -3.515 1.00 0.00 N ATOM 1729 CA TYR A 112 9.857 5.535 -4.931 1.00 0.00 C ATOM 1730 C TYR A 112 10.932 6.336 -5.628 1.00 0.00 C ATOM 1731 O TYR A 112 10.697 6.895 -6.700 1.00 0.00 O ATOM 1732 CB TYR A 112 8.480 6.099 -5.228 1.00 0.00 C ATOM 1733 CG TYR A 112 8.053 7.349 -4.496 1.00 0.00 C ATOM 1734 CD1 TYR A 112 8.883 8.448 -4.347 1.00 0.00 C ATOM 1735 CD2 TYR A 112 6.775 7.420 -3.974 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.444 9.581 -3.688 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.325 8.535 -3.323 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.163 9.619 -3.176 1.00 0.00 C ATOM 1739 OH TYR A 112 6.719 10.740 -2.516 1.00 0.00 O ATOM 0 H TYR A 112 10.120 6.174 -2.948 1.00 0.00 H new ATOM 0 HA TYR A 112 9.894 4.531 -5.353 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.426 6.303 -6.297 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.747 5.321 -5.015 1.00 0.00 H new ATOM 0 HD1 TYR A 112 9.884 8.419 -4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.115 6.572 -4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.100 10.432 -3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.321 8.566 -2.927 1.00 0.00 H new ATOM 0 HH TYR A 112 5.795 10.601 -2.220 1.00 0.00 H new ATOM 1749 N VAL A 113 12.091 6.421 -5.022 1.00 0.00 N ATOM 1750 CA VAL A 113 13.244 6.944 -5.736 1.00 0.00 C ATOM 1751 C VAL A 113 13.666 5.903 -6.768 1.00 0.00 C ATOM 1752 O VAL A 113 14.503 5.037 -6.511 1.00 0.00 O ATOM 1753 CB VAL A 113 14.436 7.297 -4.807 1.00 0.00 C ATOM 1754 CG1 VAL A 113 14.189 8.623 -4.105 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.688 6.198 -3.780 1.00 0.00 C ATOM 0 H VAL A 113 12.266 6.143 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 113 12.955 7.881 -6.211 1.00 0.00 H new ATOM 0 HB VAL A 113 15.326 7.385 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 113 15.035 8.855 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.074 9.412 -4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.281 8.554 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.529 6.478 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.799 6.065 -3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 113 14.916 5.265 -4.295 1.00 0.00 H new ATOM 1765 N ASN A 114 13.059 6.034 -7.945 1.00 0.00 N ATOM 1766 CA ASN A 114 13.107 5.035 -9.012 1.00 0.00 C ATOM 1767 C ASN A 114 11.927 5.279 -9.944 1.00 0.00 C ATOM 1768 O ASN A 114 11.944 4.890 -11.116 1.00 0.00 O ATOM 1769 CB ASN A 114 13.031 3.590 -8.469 1.00 0.00 C ATOM 1770 CG ASN A 114 11.628 3.155 -8.063 1.00 0.00 C ATOM 1771 OD1 ASN A 114 10.882 2.592 -8.866 1.00 0.00 O ATOM 1772 ND2 ASN A 114 11.256 3.405 -6.817 1.00 0.00 N ATOM 0 H ASN A 114 12.507 6.856 -8.190 1.00 0.00 H new ATOM 0 HA ASN A 114 14.059 5.137 -9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.407 2.906 -9.230 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.692 3.501 -7.607 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.327 3.130 -6.497 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.898 3.873 -6.177 1.00 0.00 H new ATOM 1779 N GLY A 115 10.901 5.935 -9.401 1.00 0.00 N ATOM 1780 CA GLY A 115 9.700 6.228 -10.151 1.00 0.00 C ATOM 1781 C GLY A 115 8.547 6.634 -9.245 1.00 0.00 C ATOM 1782 O GLY A 115 8.328 7.823 -9.008 1.00 0.00 O ATOM 0 H GLY A 115 10.887 6.271 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.903 7.030 -10.861 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.413 5.352 -10.733 1.00 0.00 H new ATOM 1786 N THR A 116 7.837 5.641 -8.717 1.00 0.00 N ATOM 1787 CA THR A 116 6.657 5.856 -7.885 1.00 0.00 C ATOM 1788 C THR A 116 6.387 4.603 -7.048 1.00 0.00 C ATOM 1789 O THR A 116 7.087 3.601 -7.201 1.00 0.00 O ATOM 1790 CB THR A 116 5.422 6.215 -8.737 1.00 0.00 C ATOM 1791 OG1 THR A 116 5.583 5.736 -10.080 1.00 0.00 O ATOM 1792 CG2 THR A 116 5.198 7.719 -8.749 1.00 0.00 C ATOM 0 H THR A 116 8.066 4.657 -8.856 1.00 0.00 H new ATOM 0 HA THR A 116 6.851 6.700 -7.223 1.00 0.00 H new ATOM 0 HB THR A 116 4.551 5.734 -8.291 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.791 5.970 -10.608 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.322 7.952 -9.355 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.038 8.071 -7.730 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.073 8.214 -9.170 1.00 0.00 H new ATOM 1800 N VAL A 117 5.394 4.644 -6.157 1.00 0.00 N ATOM 1801 CA VAL A 117 5.169 3.520 -5.254 1.00 0.00 C ATOM 1802 C VAL A 117 3.994 2.685 -5.702 1.00 0.00 C ATOM 1803 O VAL A 117 2.842 3.097 -5.603 1.00 0.00 O ATOM 1804 CB VAL A 117 4.910 3.953 -3.785 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.194 4.366 -3.099 1.00 0.00 C ATOM 1806 CG2 VAL A 117 3.880 5.076 -3.699 1.00 0.00 C ATOM 0 H VAL A 117 4.748 5.425 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 117 6.092 2.941 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 117 4.505 3.084 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.979 4.663 -2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.891 3.528 -3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.639 5.205 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.727 5.350 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.240 5.943 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.936 4.738 -4.127 1.00 0.00 H new ATOM 1816 N GLU A 118 4.305 1.510 -6.206 1.00 0.00 N ATOM 1817 CA GLU A 118 3.298 0.513 -6.482 1.00 0.00 C ATOM 1818 C GLU A 118 3.387 -0.522 -5.376 1.00 0.00 C ATOM 1819 O GLU A 118 4.385 -1.238 -5.264 1.00 0.00 O ATOM 1820 CB GLU A 118 3.543 -0.115 -7.863 1.00 0.00 C ATOM 1821 CG GLU A 118 2.346 -0.857 -8.444 1.00 0.00 C ATOM 1822 CD GLU A 118 2.046 -2.147 -7.719 1.00 0.00 C ATOM 1823 OE1 GLU A 118 2.744 -3.150 -7.978 1.00 0.00 O ATOM 1824 OE2 GLU A 118 1.121 -2.165 -6.890 1.00 0.00 O1- ATOM 0 H GLU A 118 5.257 1.222 -6.434 1.00 0.00 H new ATOM 0 HA GLU A 118 2.299 0.949 -6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.839 0.671 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.382 -0.807 -7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.469 -0.211 -8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 118 2.534 -1.072 -9.496 1.00 0.00 H new ATOM 1831 N LEU A 119 2.369 -0.588 -4.543 1.00 0.00 N ATOM 1832 CA LEU A 119 2.426 -1.439 -3.374 1.00 0.00 C ATOM 1833 C LEU A 119 1.077 -2.087 -3.118 1.00 0.00 C ATOM 1834 O LEU A 119 0.031 -1.521 -3.444 1.00 0.00 O ATOM 1835 CB LEU A 119 2.913 -0.633 -2.152 1.00 0.00 C ATOM 1836 CG LEU A 119 1.935 0.393 -1.560 1.00 0.00 C ATOM 1837 CD1 LEU A 119 1.061 -0.261 -0.512 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.696 1.569 -0.962 1.00 0.00 C ATOM 0 H LEU A 119 1.499 -0.067 -4.652 1.00 0.00 H new ATOM 0 HA LEU A 119 3.143 -2.240 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.181 -1.339 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.826 -0.108 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 119 1.296 0.768 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.372 0.477 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.493 -1.073 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.687 -0.659 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 119 1.989 2.287 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.356 1.211 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.289 2.052 -1.739 1.00 0.00 H new ATOM 1850 N THR A 120 1.118 -3.281 -2.552 1.00 0.00 N ATOM 1851 CA THR A 120 -0.082 -4.036 -2.260 1.00 0.00 C ATOM 1852 C THR A 120 -0.644 -3.688 -0.889 1.00 0.00 C ATOM 1853 O THR A 120 0.051 -3.783 0.126 1.00 0.00 O ATOM 1854 CB THR A 120 0.201 -5.542 -2.308 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.623 -5.913 -3.625 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.030 -6.339 -1.919 1.00 0.00 C ATOM 0 H THR A 120 1.983 -3.751 -2.284 1.00 0.00 H new ATOM 0 HA THR A 120 -0.816 -3.772 -3.021 1.00 0.00 H new ATOM 0 HB THR A 120 0.993 -5.766 -1.594 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.805 -6.876 -3.651 1.00 0.00 H new ATOM 0 HG21 THR A 120 -0.802 -7.404 -1.961 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.331 -6.072 -0.906 1.00 0.00 H new ATOM 0 HG23 THR A 120 -1.842 -6.114 -2.610 1.00 0.00 H new ATOM 1864 N LEU A 121 -1.904 -3.288 -0.868 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.601 -3.037 0.375 1.00 0.00 C ATOM 1866 C LEU A 121 -3.866 -3.875 0.456 1.00 0.00 C ATOM 1867 O LEU A 121 -4.735 -3.798 -0.411 1.00 0.00 O ATOM 1868 CB LEU A 121 -2.933 -1.549 0.516 1.00 0.00 C ATOM 1869 CG LEU A 121 -1.745 -0.671 0.901 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -2.155 0.784 1.048 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -1.112 -1.205 2.176 1.00 0.00 C ATOM 0 H LEU A 121 -2.465 -3.130 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.946 -3.322 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.344 -1.190 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.714 -1.433 1.268 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.005 -0.708 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.285 1.381 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.559 1.145 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.915 0.871 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.264 -0.578 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.848 -1.193 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.770 -2.227 2.012 1.00 0.00 H new ATOM 1883 N PRO A 122 -3.984 -4.706 1.493 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.184 -5.495 1.721 1.00 0.00 C ATOM 1885 C PRO A 122 -6.303 -4.632 2.285 1.00 0.00 C ATOM 1886 O PRO A 122 -6.149 -4.009 3.340 1.00 0.00 O ATOM 1887 CB PRO A 122 -4.748 -6.551 2.750 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.272 -6.371 2.929 1.00 0.00 C ATOM 1889 CD PRO A 122 -2.964 -4.962 2.514 1.00 0.00 C ATOM 0 HA PRO A 122 -5.572 -5.935 0.802 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.275 -6.415 3.695 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -4.978 -7.557 2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -2.983 -6.543 3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -2.717 -7.085 2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.041 -4.266 3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -1.955 -4.868 2.113 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.418 -4.576 1.575 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.566 -3.829 2.044 1.00 0.00 C ATOM 1899 C ILE A 123 -9.608 -4.818 2.554 1.00 0.00 C ATOM 1900 O ILE A 123 -10.004 -5.747 1.843 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.167 -2.908 0.935 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -9.984 -3.700 -0.086 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.063 -2.143 0.211 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -10.715 -2.830 -1.081 1.00 0.00 C ATOM 0 H ILE A 123 -7.549 -5.038 0.675 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.249 -3.167 2.850 1.00 0.00 H new ATOM 0 HB ILE A 123 -9.832 -2.205 1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.320 -4.375 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -10.708 -4.320 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.504 -1.508 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.520 -1.524 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.375 -2.850 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.273 -3.460 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.405 -2.173 -0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -9.995 -2.229 -1.636 1.00 0.00 H new ATOM 1916 N ASP A 124 -10.017 -4.679 3.800 1.00 0.00 N ATOM 1917 CA ASP A 124 -10.977 -5.623 4.340 1.00 0.00 C ATOM 1918 C ASP A 124 -12.188 -4.916 4.924 1.00 0.00 C ATOM 1919 O ASP A 124 -12.084 -4.021 5.761 1.00 0.00 O ATOM 1920 CB ASP A 124 -10.327 -6.545 5.388 1.00 0.00 C ATOM 1921 CG ASP A 124 -10.019 -5.860 6.708 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -9.025 -5.104 6.781 1.00 0.00 O1- ATOM 1923 OD2 ASP A 124 -10.761 -6.094 7.686 1.00 0.00 O ATOM 0 H ASP A 124 -9.712 -3.946 4.441 1.00 0.00 H new ATOM 0 HA ASP A 124 -11.320 -6.242 3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.990 -7.390 5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.403 -6.950 4.977 1.00 0.00 H new ATOM 1928 N PHE A 125 -13.337 -5.308 4.418 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.616 -4.955 4.990 1.00 0.00 C ATOM 1930 C PHE A 125 -15.231 -6.243 5.515 1.00 0.00 C ATOM 1931 O PHE A 125 -15.115 -7.277 4.855 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.510 -4.301 3.926 1.00 0.00 C ATOM 1933 CG PHE A 125 -14.915 -3.073 3.294 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -13.982 -3.189 2.276 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -15.289 -1.806 3.711 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -13.433 -2.070 1.689 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -14.741 -0.681 3.124 1.00 0.00 C ATOM 1938 CZ PHE A 125 -13.812 -0.814 2.112 1.00 0.00 C ATOM 0 H PHE A 125 -13.409 -5.891 3.584 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.506 -4.232 5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.722 -5.032 3.146 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.464 -4.036 4.382 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -13.681 -4.170 1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -16.016 -1.696 4.502 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.706 -2.177 0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -15.040 0.302 3.457 1.00 0.00 H new ATOM 0 HZ PHE A 125 -13.383 0.064 1.652 1.00 0.00 H new ATOM 1948 N SER A 126 -15.858 -6.201 6.684 1.00 0.00 N ATOM 1949 CA SER A 126 -16.343 -7.419 7.332 1.00 0.00 C ATOM 1950 C SER A 126 -17.322 -8.182 6.435 1.00 0.00 C ATOM 1951 O SER A 126 -18.505 -7.851 6.369 1.00 0.00 O ATOM 1952 CB SER A 126 -17.031 -7.049 8.642 1.00 0.00 C ATOM 1953 OG SER A 126 -16.204 -6.204 9.426 1.00 0.00 O ATOM 0 H SER A 126 -16.043 -5.343 7.203 1.00 0.00 H new ATOM 0 HA SER A 126 -15.489 -8.069 7.523 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.976 -6.547 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 126 -17.268 -7.954 9.202 1.00 0.00 H new ATOM 0 HG SER A 126 -16.665 -5.978 10.261 1.00 0.00 H new ATOM 1959 N LEU A 127 -16.826 -9.236 5.794 1.00 0.00 N ATOM 1960 CA LEU A 127 -17.611 -9.981 4.817 1.00 0.00 C ATOM 1961 C LEU A 127 -18.284 -11.181 5.463 1.00 0.00 C ATOM 1962 O LEU A 127 -17.637 -12.183 5.766 1.00 0.00 O ATOM 1963 CB LEU A 127 -16.721 -10.456 3.664 1.00 0.00 C ATOM 1964 CG LEU A 127 -17.360 -10.408 2.269 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -16.467 -11.101 1.257 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -18.748 -11.030 2.264 1.00 0.00 C ATOM 0 H LEU A 127 -15.881 -9.594 5.935 1.00 0.00 H new ATOM 0 HA LEU A 127 -18.379 -9.313 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.818 -9.846 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -16.411 -11.481 3.867 1.00 0.00 H new ATOM 0 HG LEU A 127 -17.468 -9.360 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -16.933 -11.059 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.499 -10.600 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -16.327 -12.142 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -19.167 -10.977 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -18.681 -12.073 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -19.393 -10.487 2.955 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.585 -11.075 5.662 1.00 0.00 N ATOM 1979 CA ARG A 128 -20.364 -12.166 6.223 1.00 0.00 C ATOM 1980 C ARG A 128 -21.618 -12.410 5.382 1.00 0.00 C ATOM 1981 O ARG A 128 -22.573 -13.036 5.837 1.00 0.00 O ATOM 1982 CB ARG A 128 -20.720 -11.854 7.686 1.00 0.00 C ATOM 1983 CG ARG A 128 -21.394 -10.502 7.897 1.00 0.00 C ATOM 1984 CD ARG A 128 -22.893 -10.572 7.647 1.00 0.00 C ATOM 1985 NE ARG A 128 -23.513 -9.251 7.557 1.00 0.00 N ATOM 1986 CZ ARG A 128 -24.776 -9.059 7.175 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -25.569 -10.101 6.948 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -25.249 -7.825 7.044 1.00 0.00 N ATOM 0 H ARG A 128 -20.128 -10.240 5.442 1.00 0.00 H new ATOM 0 HA ARG A 128 -19.771 -13.080 6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -21.379 -12.637 8.062 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -19.809 -11.889 8.284 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -21.211 -10.160 8.916 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -20.948 -9.765 7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -23.078 -11.119 6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -23.365 -11.136 8.451 1.00 0.00 H new ATOM 0 HE ARG A 128 -22.951 -8.435 7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -25.212 -11.049 7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -26.535 -9.953 6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -24.646 -7.025 7.236 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -26.215 -7.677 6.752 1.00 0.00 H new