USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 GLN : amide:sc= 0 X(o=0.45,f=0.3) USER MOD Set 1.2: A 52 THR OG1 : rot 26:sc= 0.448 USER MOD Single : A 41 CYS SG : rot 18:sc= 0.0309 USER MOD Single : A 43 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.12) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -110:sc= -3.64! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.808 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -140:sc= -0.0905 (180deg=-0.964) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.106 K(o=-0.11,f=-1) USER MOD Single : A 74 THR OG1 : rot 14:sc= 0.698 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 86 SER OG : rot 180:sc= -0.332 USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 151:sc= -0.18 (180deg=-1.01) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -4.97 K(o=-5,f=-8.7!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 525 N GLN A 35 6.544 -11.790 -1.104 1.00 0.00 N ATOM 526 CA GLN A 35 5.639 -10.605 -1.016 1.00 0.00 C ATOM 527 C GLN A 35 4.230 -11.041 -0.609 1.00 0.00 C ATOM 528 O GLN A 35 3.810 -12.150 -0.879 1.00 0.00 O ATOM 529 CB GLN A 35 5.630 -10.009 -2.424 1.00 0.00 C ATOM 530 CG GLN A 35 4.797 -8.726 -2.432 1.00 0.00 C ATOM 531 CD GLN A 35 5.165 -7.885 -3.654 1.00 0.00 C ATOM 532 OE1 GLN A 35 5.298 -8.403 -4.745 1.00 0.00 O ATOM 533 NE2 GLN A 35 5.339 -6.598 -3.519 1.00 0.00 N ATOM 0 HA GLN A 35 5.975 -9.885 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.649 -9.795 -2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.216 -10.728 -3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.735 -8.970 -2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.976 -8.158 -1.519 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.228 -6.162 -2.604 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.586 -6.029 -4.329 1.00 0.00 H new ATOM 542 N ARG A 36 3.496 -10.175 0.037 1.00 0.00 N ATOM 543 CA ARG A 36 2.112 -10.532 0.463 1.00 0.00 C ATOM 544 C ARG A 36 1.203 -9.300 0.375 1.00 0.00 C ATOM 545 O ARG A 36 1.619 -8.205 0.702 1.00 0.00 O ATOM 546 CB ARG A 36 2.256 -10.992 1.915 1.00 0.00 C ATOM 547 CG ARG A 36 0.912 -11.514 2.425 1.00 0.00 C ATOM 548 CD ARG A 36 0.699 -12.947 1.933 1.00 0.00 C ATOM 549 NE ARG A 36 1.276 -13.809 3.003 1.00 0.00 N ATOM 550 CZ ARG A 36 1.969 -14.867 2.688 1.00 0.00 C ATOM 551 NH1 ARG A 36 1.364 -16.004 2.476 1.00 0.00 N ATOM 552 NH2 ARG A 36 3.268 -14.790 2.586 1.00 0.00 N ATOM 0 H ARG A 36 3.796 -9.233 0.289 1.00 0.00 H new ATOM 0 HA ARG A 36 1.666 -11.302 -0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.012 -11.774 1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.595 -10.164 2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.889 -11.485 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.104 -10.873 2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.359 -13.160 1.782 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.197 -13.115 0.978 1.00 0.00 H new ATOM 0 HE ARG A 36 1.128 -13.571 3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.349 -16.064 2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.906 -16.832 2.229 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.741 -13.902 2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.810 -15.618 2.340 1.00 0.00 H new ATOM 566 N PRO A 37 -0.014 -9.512 -0.066 1.00 0.00 N ATOM 567 CA PRO A 37 -0.977 -8.389 -0.191 1.00 0.00 C ATOM 568 C PRO A 37 -1.437 -7.921 1.193 1.00 0.00 C ATOM 569 O PRO A 37 -2.355 -8.470 1.771 1.00 0.00 O ATOM 570 CB PRO A 37 -2.137 -8.995 -0.975 1.00 0.00 C ATOM 571 CG PRO A 37 -2.058 -10.465 -0.709 1.00 0.00 C ATOM 572 CD PRO A 37 -0.604 -10.791 -0.483 1.00 0.00 C ATOM 0 HA PRO A 37 -0.551 -7.513 -0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.092 -8.585 -0.646 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.048 -8.781 -2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.654 -10.732 0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.455 -11.032 -1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.481 -11.556 0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.134 -11.170 -1.390 1.00 0.00 H new ATOM 580 N PHE A 38 -0.804 -6.911 1.727 1.00 0.00 N ATOM 581 CA PHE A 38 -1.201 -6.403 3.073 1.00 0.00 C ATOM 582 C PHE A 38 -2.247 -5.294 2.935 1.00 0.00 C ATOM 583 O PHE A 38 -2.076 -4.359 2.178 1.00 0.00 O ATOM 584 CB PHE A 38 0.087 -5.846 3.685 1.00 0.00 C ATOM 585 CG PHE A 38 1.018 -6.980 4.049 1.00 0.00 C ATOM 586 CD1 PHE A 38 0.547 -8.066 4.795 1.00 0.00 C ATOM 587 CD2 PHE A 38 2.358 -6.939 3.643 1.00 0.00 C ATOM 588 CE1 PHE A 38 1.413 -9.111 5.134 1.00 0.00 C ATOM 589 CE2 PHE A 38 3.224 -7.984 3.982 1.00 0.00 C ATOM 590 CZ PHE A 38 2.752 -9.071 4.728 1.00 0.00 C ATOM 0 H PHE A 38 -0.028 -6.415 1.289 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.644 -7.184 3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.576 -5.176 2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.147 -5.257 4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.486 -8.097 5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.723 -6.101 3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.048 -9.949 5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.257 -7.952 3.668 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.421 -9.878 4.990 1.00 0.00 H new ATOM 600 N ARG A 39 -3.330 -5.390 3.663 1.00 0.00 N ATOM 601 CA ARG A 39 -4.385 -4.338 3.574 1.00 0.00 C ATOM 602 C ARG A 39 -4.245 -3.347 4.734 1.00 0.00 C ATOM 603 O ARG A 39 -4.287 -3.722 5.892 1.00 0.00 O ATOM 604 CB ARG A 39 -5.711 -5.096 3.671 1.00 0.00 C ATOM 605 CG ARG A 39 -6.874 -4.106 3.566 1.00 0.00 C ATOM 606 CD ARG A 39 -8.188 -4.873 3.406 1.00 0.00 C ATOM 607 NE ARG A 39 -9.205 -4.038 4.106 1.00 0.00 N ATOM 608 CZ ARG A 39 -10.466 -4.144 3.790 1.00 0.00 C ATOM 609 NH1 ARG A 39 -11.012 -5.324 3.665 1.00 0.00 N ATOM 610 NH2 ARG A 39 -11.182 -3.070 3.595 1.00 0.00 N ATOM 0 H ARG A 39 -3.528 -6.150 4.314 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.314 -3.759 2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.777 -5.837 2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.764 -5.637 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.913 -3.480 4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.723 -3.441 2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.442 -5.007 2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.122 -5.868 3.847 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.915 -3.383 4.832 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.452 -6.163 3.815 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.998 -5.406 3.418 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.755 -2.148 3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.168 -3.152 3.348 1.00 0.00 H new ATOM 624 N VAL A 40 -4.086 -2.084 4.432 1.00 0.00 N ATOM 625 CA VAL A 40 -3.947 -1.065 5.514 1.00 0.00 C ATOM 626 C VAL A 40 -5.116 -0.075 5.455 1.00 0.00 C ATOM 627 O VAL A 40 -5.589 0.276 4.392 1.00 0.00 O ATOM 628 CB VAL A 40 -2.621 -0.353 5.224 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.434 0.816 6.197 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.466 -1.344 5.388 1.00 0.00 C ATOM 0 H VAL A 40 -4.046 -1.715 3.482 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.957 -1.511 6.508 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.634 0.030 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.490 1.318 5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.255 1.523 6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.424 0.440 7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.522 -0.840 5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.458 -1.727 6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.595 -2.172 4.690 1.00 0.00 H new ATOM 640 N CYS A 41 -5.582 0.376 6.589 1.00 0.00 N ATOM 641 CA CYS A 41 -6.719 1.345 6.598 1.00 0.00 C ATOM 642 C CYS A 41 -6.501 2.417 7.670 1.00 0.00 C ATOM 643 O CYS A 41 -5.733 2.237 8.594 1.00 0.00 O ATOM 644 CB CYS A 41 -7.959 0.504 6.918 1.00 0.00 C ATOM 645 SG CYS A 41 -7.753 -0.311 8.525 1.00 0.00 S ATOM 0 H CYS A 41 -5.226 0.116 7.509 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.818 1.869 5.647 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.845 1.138 6.933 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.114 -0.242 6.139 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.815 0.287 9.198 1.00 0.00 H new ATOM 651 N ASP A 42 -7.175 3.530 7.552 1.00 0.00 N ATOM 652 CA ASP A 42 -7.017 4.616 8.561 1.00 0.00 C ATOM 653 C ASP A 42 -8.101 4.497 9.635 1.00 0.00 C ATOM 654 O ASP A 42 -8.949 3.629 9.573 1.00 0.00 O ATOM 655 CB ASP A 42 -7.168 5.919 7.782 1.00 0.00 C ATOM 656 CG ASP A 42 -6.333 7.011 8.457 1.00 0.00 C ATOM 657 OD1 ASP A 42 -6.339 7.065 9.675 1.00 0.00 O ATOM 658 OD2 ASP A 42 -5.704 7.774 7.742 1.00 0.00 O ATOM 0 H ASP A 42 -7.830 3.734 6.797 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.056 4.566 9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.841 5.780 6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.216 6.216 7.747 1.00 0.00 H new ATOM 663 N HIS A 43 -8.061 5.350 10.630 1.00 0.00 N ATOM 664 CA HIS A 43 -9.073 5.292 11.736 1.00 0.00 C ATOM 665 C HIS A 43 -10.466 4.885 11.219 1.00 0.00 C ATOM 666 O HIS A 43 -10.813 3.720 11.235 1.00 0.00 O ATOM 667 CB HIS A 43 -9.095 6.711 12.314 1.00 0.00 C ATOM 668 CG HIS A 43 -10.116 6.792 13.417 1.00 0.00 C ATOM 669 ND1 HIS A 43 -10.117 5.915 14.489 1.00 0.00 N ATOM 670 CD2 HIS A 43 -11.176 7.640 13.626 1.00 0.00 C ATOM 671 CE1 HIS A 43 -11.147 6.252 15.288 1.00 0.00 C ATOM 672 NE2 HIS A 43 -11.825 7.297 14.807 1.00 0.00 N ATOM 0 H HIS A 43 -7.366 6.090 10.725 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.811 4.541 12.482 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.109 6.973 12.698 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.334 7.430 11.530 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.462 8.451 12.972 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -11.395 5.740 16.206 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.643 7.747 15.218 1.00 0.00 H new ATOM 680 N LYS A 44 -11.273 5.818 10.772 1.00 0.00 N ATOM 681 CA LYS A 44 -12.632 5.437 10.279 1.00 0.00 C ATOM 682 C LYS A 44 -12.629 5.179 8.767 1.00 0.00 C ATOM 683 O LYS A 44 -12.779 4.059 8.321 1.00 0.00 O ATOM 684 CB LYS A 44 -13.521 6.636 10.618 1.00 0.00 C ATOM 685 CG LYS A 44 -14.943 6.391 10.104 1.00 0.00 C ATOM 686 CD LYS A 44 -15.562 5.207 10.848 1.00 0.00 C ATOM 687 CE LYS A 44 -17.081 5.216 10.654 1.00 0.00 C ATOM 688 NZ LYS A 44 -17.628 5.726 11.943 1.00 0.00 N ATOM 0 H LYS A 44 -11.053 6.813 10.728 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.982 4.514 10.740 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.537 6.795 11.696 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.113 7.541 10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.552 7.283 10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.924 6.190 9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.143 4.272 10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.320 5.265 11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -17.369 5.857 9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.457 4.217 10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.666 5.762 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.343 5.092 12.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.258 6.681 12.124 1.00 0.00 H new ATOM 702 N ARG A 45 -12.467 6.208 7.972 1.00 0.00 N ATOM 703 CA ARG A 45 -12.466 6.011 6.490 1.00 0.00 C ATOM 704 C ARG A 45 -11.661 7.105 5.779 1.00 0.00 C ATOM 705 O ARG A 45 -11.784 7.288 4.583 1.00 0.00 O ATOM 706 CB ARG A 45 -13.938 6.085 6.087 1.00 0.00 C ATOM 707 CG ARG A 45 -14.129 5.431 4.717 1.00 0.00 C ATOM 708 CD ARG A 45 -15.566 5.652 4.240 1.00 0.00 C ATOM 709 NE ARG A 45 -15.521 6.917 3.456 1.00 0.00 N ATOM 710 CZ ARG A 45 -16.097 6.984 2.288 1.00 0.00 C ATOM 711 NH1 ARG A 45 -17.244 6.393 2.089 1.00 0.00 N ATOM 712 NH2 ARG A 45 -15.524 7.640 1.315 1.00 0.00 N ATOM 0 H ARG A 45 -12.336 7.170 8.283 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.002 5.065 6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.555 5.581 6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.264 7.124 6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.427 5.855 3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.915 4.364 4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.911 4.820 3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.253 5.734 5.082 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.039 7.733 3.833 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.691 5.878 2.848 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.693 6.446 1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.626 8.100 1.469 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.974 7.693 0.401 1.00 0.00 H new ATOM 726 N THR A 46 -10.853 7.845 6.492 1.00 0.00 N ATOM 727 CA THR A 46 -10.066 8.934 5.832 1.00 0.00 C ATOM 728 C THR A 46 -9.272 8.384 4.639 1.00 0.00 C ATOM 729 O THR A 46 -9.454 8.811 3.516 1.00 0.00 O ATOM 730 CB THR A 46 -9.124 9.466 6.914 1.00 0.00 C ATOM 731 OG1 THR A 46 -8.401 8.385 7.484 1.00 0.00 O ATOM 732 CG2 THR A 46 -9.940 10.170 8.000 1.00 0.00 C ATOM 0 H THR A 46 -10.703 7.745 7.496 1.00 0.00 H new ATOM 0 HA THR A 46 -10.712 9.719 5.438 1.00 0.00 H new ATOM 0 HB THR A 46 -8.424 10.176 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.708 8.234 8.402 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.269 10.549 8.771 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.492 11.000 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.641 9.463 8.444 1.00 0.00 H new ATOM 740 N ILE A 47 -8.395 7.441 4.870 1.00 0.00 N ATOM 741 CA ILE A 47 -7.596 6.872 3.742 1.00 0.00 C ATOM 742 C ILE A 47 -7.478 5.351 3.884 1.00 0.00 C ATOM 743 O ILE A 47 -6.859 4.852 4.802 1.00 0.00 O ATOM 744 CB ILE A 47 -6.219 7.532 3.850 1.00 0.00 C ATOM 745 CG1 ILE A 47 -6.367 9.053 3.736 1.00 0.00 C ATOM 746 CG2 ILE A 47 -5.320 7.023 2.721 1.00 0.00 C ATOM 747 CD1 ILE A 47 -4.997 9.717 3.892 1.00 0.00 C ATOM 0 H ILE A 47 -8.198 7.041 5.787 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.062 7.063 2.775 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.773 7.282 4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.801 9.315 2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.049 9.420 4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.339 7.492 2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.212 5.941 2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.768 7.272 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.105 10.799 3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.580 9.467 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.328 9.359 3.109 1.00 0.00 H new ATOM 759 N ARG A 48 -8.063 4.613 2.979 1.00 0.00 N ATOM 760 CA ARG A 48 -7.982 3.126 3.061 1.00 0.00 C ATOM 761 C ARG A 48 -7.305 2.562 1.808 1.00 0.00 C ATOM 762 O ARG A 48 -7.818 2.671 0.711 1.00 0.00 O ATOM 763 CB ARG A 48 -9.434 2.656 3.140 1.00 0.00 C ATOM 764 CG ARG A 48 -9.471 1.165 3.478 1.00 0.00 C ATOM 765 CD ARG A 48 -10.911 0.654 3.374 1.00 0.00 C ATOM 766 NE ARG A 48 -11.061 0.219 1.958 1.00 0.00 N ATOM 767 CZ ARG A 48 -11.980 -0.651 1.638 1.00 0.00 C ATOM 768 NH1 ARG A 48 -13.241 -0.328 1.728 1.00 0.00 N ATOM 769 NH2 ARG A 48 -11.637 -1.841 1.227 1.00 0.00 N ATOM 0 H ARG A 48 -8.593 4.976 2.187 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.396 2.791 3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.971 3.225 3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.938 2.837 2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.827 0.610 2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.087 1.000 4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.088 -0.173 4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.627 1.436 3.625 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.446 0.600 1.239 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.507 0.603 2.048 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.960 -1.007 1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.651 -2.091 1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.355 -2.521 0.977 1.00 0.00 H new ATOM 783 N LYS A 49 -6.155 1.958 1.963 1.00 0.00 N ATOM 784 CA LYS A 49 -5.445 1.385 0.781 1.00 0.00 C ATOM 785 C LYS A 49 -4.812 0.038 1.146 1.00 0.00 C ATOM 786 O LYS A 49 -4.298 -0.142 2.232 1.00 0.00 O ATOM 787 CB LYS A 49 -4.364 2.412 0.434 1.00 0.00 C ATOM 788 CG LYS A 49 -3.568 1.930 -0.780 1.00 0.00 C ATOM 789 CD LYS A 49 -4.423 2.066 -2.041 1.00 0.00 C ATOM 790 CE LYS A 49 -4.654 3.547 -2.346 1.00 0.00 C ATOM 791 NZ LYS A 49 -4.476 3.668 -3.820 1.00 0.00 N ATOM 0 H LYS A 49 -5.677 1.837 2.856 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.117 1.202 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.821 3.378 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.698 2.555 1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.654 2.514 -0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.268 0.891 -0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.927 1.584 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.378 1.560 -1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.652 3.862 -2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.944 4.176 -1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.619 4.657 -4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.515 3.368 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.170 3.063 -4.304 1.00 0.00 H new ATOM 805 N GLY A 50 -4.847 -0.906 0.244 1.00 0.00 N ATOM 806 CA GLY A 50 -4.247 -2.240 0.532 1.00 0.00 C ATOM 807 C GLY A 50 -3.318 -2.639 -0.615 1.00 0.00 C ATOM 808 O GLY A 50 -3.760 -3.027 -1.679 1.00 0.00 O ATOM 0 H GLY A 50 -5.266 -0.810 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.691 -2.206 1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.033 -2.985 0.654 1.00 0.00 H new ATOM 812 N LEU A 51 -2.032 -2.540 -0.409 1.00 0.00 N ATOM 813 CA LEU A 51 -1.070 -2.908 -1.489 1.00 0.00 C ATOM 814 C LEU A 51 -0.117 -4.004 -1.003 1.00 0.00 C ATOM 815 O LEU A 51 0.054 -4.208 0.183 1.00 0.00 O ATOM 816 CB LEU A 51 -0.300 -1.621 -1.789 1.00 0.00 C ATOM 817 CG LEU A 51 -1.274 -0.546 -2.280 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.880 0.811 -1.694 1.00 0.00 C ATOM 819 CD2 LEU A 51 -1.223 -0.471 -3.808 1.00 0.00 C ATOM 0 H LEU A 51 -1.606 -2.220 0.461 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.574 -3.298 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.217 -1.277 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.463 -1.809 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.284 -0.801 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.575 1.574 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.915 0.761 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.131 1.066 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.916 0.294 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.212 -0.218 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.505 -1.436 -4.229 1.00 0.00 H new ATOM 831 N THR A 52 0.499 -4.712 -1.910 1.00 0.00 N ATOM 832 CA THR A 52 1.442 -5.796 -1.503 1.00 0.00 C ATOM 833 C THR A 52 2.798 -5.200 -1.118 1.00 0.00 C ATOM 834 O THR A 52 3.385 -4.437 -1.861 1.00 0.00 O ATOM 835 CB THR A 52 1.582 -6.692 -2.735 1.00 0.00 C ATOM 836 OG1 THR A 52 2.106 -5.933 -3.819 1.00 0.00 O ATOM 837 CG2 THR A 52 0.213 -7.263 -3.116 1.00 0.00 C ATOM 0 H THR A 52 0.391 -4.588 -2.917 1.00 0.00 H new ATOM 0 HA THR A 52 1.080 -6.351 -0.638 1.00 0.00 H new ATOM 0 HB THR A 52 2.262 -7.514 -2.509 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.627 -5.180 -3.470 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.316 -7.901 -3.994 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.180 -7.849 -2.286 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.473 -6.446 -3.340 1.00 0.00 H new ATOM 845 N ALA A 53 3.301 -5.544 0.037 1.00 0.00 N ATOM 846 CA ALA A 53 4.620 -4.998 0.470 1.00 0.00 C ATOM 847 C ALA A 53 5.438 -6.085 1.171 1.00 0.00 C ATOM 848 O ALA A 53 4.898 -7.020 1.731 1.00 0.00 O ATOM 849 CB ALA A 53 4.283 -3.870 1.446 1.00 0.00 C ATOM 0 H ALA A 53 2.856 -6.179 0.699 1.00 0.00 H new ATOM 0 HA ALA A 53 5.215 -4.644 -0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.205 -3.417 1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.684 -3.115 0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.720 -4.273 2.288 1.00 0.00 H new ATOM 855 N ALA A 54 6.738 -5.967 1.146 1.00 0.00 N ATOM 856 CA ALA A 54 7.598 -6.986 1.812 1.00 0.00 C ATOM 857 C ALA A 54 8.716 -6.290 2.592 1.00 0.00 C ATOM 858 O ALA A 54 9.712 -5.878 2.030 1.00 0.00 O ATOM 859 CB ALA A 54 8.177 -7.823 0.671 1.00 0.00 C ATOM 0 H ALA A 54 7.243 -5.206 0.691 1.00 0.00 H new ATOM 0 HA ALA A 54 7.045 -7.600 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.824 -8.598 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.365 -8.287 0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.756 -7.181 0.006 1.00 0.00 H new ATOM 865 N THR A 55 8.555 -6.149 3.881 1.00 0.00 N ATOM 866 CA THR A 55 9.605 -5.471 4.695 1.00 0.00 C ATOM 867 C THR A 55 9.576 -5.987 6.137 1.00 0.00 C ATOM 868 O THR A 55 8.536 -6.341 6.658 1.00 0.00 O ATOM 869 CB THR A 55 9.245 -3.987 4.643 1.00 0.00 C ATOM 870 OG1 THR A 55 8.839 -3.646 3.325 1.00 0.00 O ATOM 871 CG2 THR A 55 10.462 -3.150 5.034 1.00 0.00 C ATOM 0 H THR A 55 7.742 -6.474 4.405 1.00 0.00 H new ATOM 0 HA THR A 55 10.609 -5.659 4.316 1.00 0.00 H new ATOM 0 HB THR A 55 8.430 -3.787 5.339 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.606 -2.695 3.290 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.203 -2.092 4.996 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.774 -3.411 6.045 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.279 -3.349 4.340 1.00 0.00 H new ATOM 879 N ARG A 56 10.711 -6.039 6.782 1.00 0.00 N ATOM 880 CA ARG A 56 10.753 -6.541 8.187 1.00 0.00 C ATOM 881 C ARG A 56 10.572 -5.387 9.186 1.00 0.00 C ATOM 882 O ARG A 56 9.497 -5.181 9.715 1.00 0.00 O ATOM 883 CB ARG A 56 12.138 -7.180 8.333 1.00 0.00 C ATOM 884 CG ARG A 56 12.327 -7.680 9.768 1.00 0.00 C ATOM 885 CD ARG A 56 13.479 -8.688 9.810 1.00 0.00 C ATOM 886 NE ARG A 56 12.857 -9.993 9.449 1.00 0.00 N ATOM 887 CZ ARG A 56 12.565 -10.857 10.383 1.00 0.00 C ATOM 888 NH1 ARG A 56 12.028 -10.451 11.501 1.00 0.00 N ATOM 889 NH2 ARG A 56 12.805 -12.126 10.197 1.00 0.00 N ATOM 0 H ARG A 56 11.612 -5.755 6.396 1.00 0.00 H new ATOM 0 HA ARG A 56 9.951 -7.250 8.394 1.00 0.00 H new ATOM 0 HB2 ARG A 56 12.243 -8.008 7.632 1.00 0.00 H new ATOM 0 HB3 ARG A 56 12.912 -6.454 8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.539 -6.842 10.432 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.409 -8.146 10.126 1.00 0.00 H new ATOM 0 HD2 ARG A 56 14.267 -8.418 9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.934 -8.727 10.800 1.00 0.00 H new ATOM 0 HE ARG A 56 12.659 -10.211 8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.837 -9.459 11.644 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.799 -11.125 12.231 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.221 -12.443 9.321 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.577 -12.801 10.927 1.00 0.00 H new ATOM 903 N GLN A 57 11.613 -4.642 9.456 1.00 0.00 N ATOM 904 CA GLN A 57 11.496 -3.515 10.431 1.00 0.00 C ATOM 905 C GLN A 57 11.105 -2.217 9.716 1.00 0.00 C ATOM 906 O GLN A 57 10.238 -1.492 10.159 1.00 0.00 O ATOM 907 CB GLN A 57 12.888 -3.384 11.051 1.00 0.00 C ATOM 908 CG GLN A 57 12.813 -2.490 12.291 1.00 0.00 C ATOM 909 CD GLN A 57 14.162 -2.502 13.011 1.00 0.00 C ATOM 910 OE1 GLN A 57 14.299 -3.103 14.059 1.00 0.00 O ATOM 911 NE2 GLN A 57 15.172 -1.863 12.490 1.00 0.00 N ATOM 0 H GLN A 57 12.538 -4.765 9.044 1.00 0.00 H new ATOM 0 HA GLN A 57 10.726 -3.702 11.180 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.271 -4.368 11.322 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.582 -2.960 10.326 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.552 -1.472 12.003 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.028 -2.843 12.960 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.058 -1.359 11.611 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.076 -1.867 12.962 1.00 0.00 H new ATOM 920 N GLU A 58 11.744 -1.918 8.615 1.00 0.00 N ATOM 921 CA GLU A 58 11.414 -0.662 7.874 1.00 0.00 C ATOM 922 C GLU A 58 9.923 -0.628 7.509 1.00 0.00 C ATOM 923 O GLU A 58 9.372 0.420 7.230 1.00 0.00 O ATOM 924 CB GLU A 58 12.281 -0.704 6.613 1.00 0.00 C ATOM 925 CG GLU A 58 12.047 0.560 5.785 1.00 0.00 C ATOM 926 CD GLU A 58 12.615 0.361 4.378 1.00 0.00 C ATOM 927 OE1 GLU A 58 13.792 0.619 4.195 1.00 0.00 O ATOM 928 OE2 GLU A 58 11.862 -0.045 3.509 1.00 0.00 O ATOM 0 H GLU A 58 12.479 -2.488 8.197 1.00 0.00 H new ATOM 0 HA GLU A 58 11.608 0.229 8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.333 -0.782 6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.038 -1.587 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.981 0.780 5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.524 1.415 6.264 1.00 0.00 H new ATOM 935 N LEU A 59 9.268 -1.762 7.512 1.00 0.00 N ATOM 936 CA LEU A 59 7.813 -1.791 7.167 1.00 0.00 C ATOM 937 C LEU A 59 7.049 -0.746 7.988 1.00 0.00 C ATOM 938 O LEU A 59 6.098 -0.149 7.519 1.00 0.00 O ATOM 939 CB LEU A 59 7.344 -3.199 7.536 1.00 0.00 C ATOM 940 CG LEU A 59 6.014 -3.494 6.838 1.00 0.00 C ATOM 941 CD1 LEU A 59 5.968 -4.966 6.427 1.00 0.00 C ATOM 942 CD2 LEU A 59 4.859 -3.198 7.798 1.00 0.00 C ATOM 0 H LEU A 59 9.677 -2.668 7.738 1.00 0.00 H new ATOM 0 HA LEU A 59 7.638 -1.562 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.093 -3.933 7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.226 -3.283 8.616 1.00 0.00 H new ATOM 0 HG LEU A 59 5.922 -2.866 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.021 -5.176 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.791 -5.179 5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.060 -5.594 7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.911 -3.408 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.952 -3.826 8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.890 -2.149 8.092 1.00 0.00 H new ATOM 954 N LEU A 60 7.461 -0.519 9.205 1.00 0.00 N ATOM 955 CA LEU A 60 6.762 0.490 10.054 1.00 0.00 C ATOM 956 C LEU A 60 6.936 1.888 9.458 1.00 0.00 C ATOM 957 O LEU A 60 6.026 2.695 9.473 1.00 0.00 O ATOM 958 CB LEU A 60 7.440 0.403 11.422 1.00 0.00 C ATOM 959 CG LEU A 60 6.751 1.362 12.392 1.00 0.00 C ATOM 960 CD1 LEU A 60 5.464 0.724 12.914 1.00 0.00 C ATOM 961 CD2 LEU A 60 7.685 1.659 13.566 1.00 0.00 C ATOM 0 H LEU A 60 8.251 -0.988 9.649 1.00 0.00 H new ATOM 0 HA LEU A 60 5.691 0.301 10.121 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.387 -0.617 11.802 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.497 0.655 11.333 1.00 0.00 H new ATOM 0 HG LEU A 60 6.511 2.291 11.874 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.973 1.409 13.606 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.797 0.513 12.078 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.702 -0.205 13.431 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.194 2.343 14.258 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.926 0.730 14.083 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.602 2.116 13.195 1.00 0.00 H new ATOM 973 N ALA A 61 8.096 2.180 8.930 1.00 0.00 N ATOM 974 CA ALA A 61 8.329 3.527 8.326 1.00 0.00 C ATOM 975 C ALA A 61 7.232 3.845 7.305 1.00 0.00 C ATOM 976 O ALA A 61 6.938 4.992 7.034 1.00 0.00 O ATOM 977 CB ALA A 61 9.691 3.426 7.639 1.00 0.00 C ATOM 0 H ALA A 61 8.893 1.544 8.891 1.00 0.00 H new ATOM 0 HA ALA A 61 8.309 4.322 9.071 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.934 4.380 7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.454 3.180 8.378 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.658 2.646 6.879 1.00 0.00 H new ATOM 983 N LYS A 62 6.623 2.834 6.742 1.00 0.00 N ATOM 984 CA LYS A 62 5.544 3.074 5.742 1.00 0.00 C ATOM 985 C LYS A 62 4.275 3.576 6.442 1.00 0.00 C ATOM 986 O LYS A 62 3.642 4.512 5.996 1.00 0.00 O ATOM 987 CB LYS A 62 5.293 1.712 5.093 1.00 0.00 C ATOM 988 CG LYS A 62 4.217 1.845 4.010 1.00 0.00 C ATOM 989 CD LYS A 62 2.956 1.097 4.444 1.00 0.00 C ATOM 990 CE LYS A 62 3.102 -0.388 4.105 1.00 0.00 C ATOM 991 NZ LYS A 62 1.773 -0.793 3.569 1.00 0.00 N ATOM 0 H LYS A 62 6.827 1.853 6.932 1.00 0.00 H new ATOM 0 HA LYS A 62 5.823 3.830 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.216 1.331 4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.976 0.992 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.987 2.897 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.585 1.441 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.796 1.223 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.083 1.512 3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.890 -0.549 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.366 -0.970 4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.528 -1.739 3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.052 -0.109 3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.810 -0.814 2.530 1.00 0.00 H new ATOM 1005 N ALA A 63 3.902 2.959 7.535 1.00 0.00 N ATOM 1006 CA ALA A 63 2.674 3.399 8.267 1.00 0.00 C ATOM 1007 C ALA A 63 2.719 4.907 8.531 1.00 0.00 C ATOM 1008 O ALA A 63 1.701 5.570 8.589 1.00 0.00 O ATOM 1009 CB ALA A 63 2.701 2.629 9.589 1.00 0.00 C ATOM 0 H ALA A 63 4.395 2.169 7.953 1.00 0.00 H new ATOM 0 HA ALA A 63 1.767 3.203 7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.829 2.898 10.185 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.686 1.558 9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.608 2.881 10.139 1.00 0.00 H new ATOM 1015 N LEU A 64 3.892 5.446 8.706 1.00 0.00 N ATOM 1016 CA LEU A 64 4.020 6.908 8.976 1.00 0.00 C ATOM 1017 C LEU A 64 3.844 7.726 7.688 1.00 0.00 C ATOM 1018 O LEU A 64 2.836 8.373 7.479 1.00 0.00 O ATOM 1019 CB LEU A 64 5.438 7.090 9.529 1.00 0.00 C ATOM 1020 CG LEU A 64 5.484 6.718 11.018 1.00 0.00 C ATOM 1021 CD1 LEU A 64 4.522 7.613 11.805 1.00 0.00 C ATOM 1022 CD2 LEU A 64 5.083 5.252 11.201 1.00 0.00 C ATOM 0 H LEU A 64 4.774 4.935 8.674 1.00 0.00 H new ATOM 0 HA LEU A 64 3.255 7.255 9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.136 6.466 8.970 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.757 8.124 9.396 1.00 0.00 H new ATOM 0 HG LEU A 64 6.499 6.863 11.389 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.558 7.346 12.861 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.815 8.656 11.685 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.508 7.475 11.430 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.118 4.995 12.260 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.071 5.102 10.824 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.774 4.614 10.650 1.00 0.00 H new ATOM 1034 N GLU A 65 4.839 7.721 6.841 1.00 0.00 N ATOM 1035 CA GLU A 65 4.777 8.515 5.573 1.00 0.00 C ATOM 1036 C GLU A 65 3.544 8.175 4.728 1.00 0.00 C ATOM 1037 O GLU A 65 3.068 8.999 3.973 1.00 0.00 O ATOM 1038 CB GLU A 65 6.053 8.140 4.816 1.00 0.00 C ATOM 1039 CG GLU A 65 6.311 9.166 3.710 1.00 0.00 C ATOM 1040 CD GLU A 65 5.423 8.856 2.506 1.00 0.00 C ATOM 1041 OE1 GLU A 65 5.267 7.687 2.193 1.00 0.00 O ATOM 1042 OE2 GLU A 65 4.912 9.792 1.913 1.00 0.00 O ATOM 0 H GLU A 65 5.703 7.195 6.973 1.00 0.00 H new ATOM 0 HA GLU A 65 4.701 9.581 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.899 8.108 5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.954 7.143 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.105 10.171 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.360 9.143 3.416 1.00 0.00 H new ATOM 1049 N THR A 66 3.028 6.976 4.823 1.00 0.00 N ATOM 1050 CA THR A 66 1.836 6.617 3.989 1.00 0.00 C ATOM 1051 C THR A 66 0.723 7.661 4.151 1.00 0.00 C ATOM 1052 O THR A 66 0.175 8.142 3.179 1.00 0.00 O ATOM 1053 CB THR A 66 1.376 5.242 4.483 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.228 4.839 3.748 1.00 0.00 O ATOM 1055 CG2 THR A 66 1.030 5.311 5.970 1.00 0.00 C ATOM 0 H THR A 66 3.374 6.236 5.434 1.00 0.00 H new ATOM 0 HA THR A 66 2.084 6.593 2.928 1.00 0.00 H new ATOM 0 HB THR A 66 2.179 4.520 4.337 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.068 3.959 4.061 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.704 4.329 6.314 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.910 5.619 6.534 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.229 6.034 6.124 1.00 0.00 H new ATOM 1063 N LEU A 67 0.385 8.022 5.363 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.686 9.042 5.560 1.00 0.00 C ATOM 1065 C LEU A 67 -0.068 10.407 5.879 1.00 0.00 C ATOM 1066 O LEU A 67 -0.369 11.399 5.246 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.502 8.531 6.748 1.00 0.00 C ATOM 1068 CG LEU A 67 -2.137 7.184 6.393 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -2.089 6.257 7.611 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.592 7.399 5.975 1.00 0.00 C ATOM 0 H LEU A 67 0.802 7.656 6.219 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.300 9.174 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.861 8.423 7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.277 9.253 7.007 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.585 6.731 5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.541 5.298 7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.052 6.101 7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.639 6.711 8.435 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.044 6.440 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.143 7.854 6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.628 8.057 5.107 1.00 0.00 H new ATOM 1082 N LEU A 68 0.801 10.458 6.855 1.00 0.00 N ATOM 1083 CA LEU A 68 1.448 11.754 7.217 1.00 0.00 C ATOM 1084 C LEU A 68 2.878 11.513 7.707 1.00 0.00 C ATOM 1085 O LEU A 68 3.135 10.608 8.475 1.00 0.00 O ATOM 1086 CB LEU A 68 0.587 12.329 8.342 1.00 0.00 C ATOM 1087 CG LEU A 68 -0.649 13.005 7.747 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.568 13.476 8.877 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -0.215 14.210 6.909 1.00 0.00 C ATOM 0 H LEU A 68 1.091 9.658 7.417 1.00 0.00 H new ATOM 0 HA LEU A 68 1.513 12.433 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.286 11.535 9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.163 13.049 8.923 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.184 12.295 7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.449 13.958 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.876 12.619 9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.034 14.187 9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.095 14.693 6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.319 14.919 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.440 13.877 6.104 1.00 0.00 H new ATOM 1101 N LEU A 69 3.807 12.326 7.282 1.00 0.00 N ATOM 1102 CA LEU A 69 5.216 12.145 7.740 1.00 0.00 C ATOM 1103 C LEU A 69 5.416 12.847 9.087 1.00 0.00 C ATOM 1104 O LEU A 69 5.240 14.045 9.204 1.00 0.00 O ATOM 1105 CB LEU A 69 6.083 12.788 6.651 1.00 0.00 C ATOM 1106 CG LEU A 69 5.782 14.288 6.558 1.00 0.00 C ATOM 1107 CD1 LEU A 69 6.875 15.073 7.287 1.00 0.00 C ATOM 1108 CD2 LEU A 69 5.749 14.713 5.088 1.00 0.00 C ATOM 0 H LEU A 69 3.653 13.104 6.641 1.00 0.00 H new ATOM 0 HA LEU A 69 5.476 11.096 7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.138 12.634 6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.889 12.310 5.691 1.00 0.00 H new ATOM 0 HG LEU A 69 4.815 14.492 7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.662 16.140 7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.902 14.772 8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.841 14.867 6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.535 15.780 5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.716 14.508 4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.973 14.154 4.565 1.00 0.00 H new ATOM 1120 N ASN A 70 5.770 12.112 10.105 1.00 0.00 N ATOM 1121 CA ASN A 70 5.968 12.741 11.444 1.00 0.00 C ATOM 1122 C ASN A 70 7.183 12.130 12.147 1.00 0.00 C ATOM 1123 O ASN A 70 7.532 10.986 11.926 1.00 0.00 O ATOM 1124 CB ASN A 70 4.689 12.427 12.219 1.00 0.00 C ATOM 1125 CG ASN A 70 4.523 13.431 13.361 1.00 0.00 C ATOM 1126 OD1 ASN A 70 4.673 14.620 13.166 1.00 0.00 O ATOM 1127 ND2 ASN A 70 4.217 12.998 14.554 1.00 0.00 N ATOM 0 H ASN A 70 5.931 11.105 10.069 1.00 0.00 H new ATOM 0 HA ASN A 70 6.152 13.813 11.372 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.827 12.473 11.553 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.732 11.413 12.616 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.104 13.659 15.323 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.091 11.999 14.717 1.00 0.00 H new ATOM 1134 N GLY A 71 7.828 12.887 12.994 1.00 0.00 N ATOM 1135 CA GLY A 71 9.019 12.356 13.718 1.00 0.00 C ATOM 1136 C GLY A 71 8.593 11.208 14.635 1.00 0.00 C ATOM 1137 O GLY A 71 9.221 10.168 14.673 1.00 0.00 O ATOM 0 H GLY A 71 7.581 13.851 13.216 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.765 12.007 13.004 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.484 13.149 14.303 1.00 0.00 H new ATOM 1141 N VAL A 72 7.531 11.389 15.375 1.00 0.00 N ATOM 1142 CA VAL A 72 7.065 10.305 16.291 1.00 0.00 C ATOM 1143 C VAL A 72 5.543 10.154 16.203 1.00 0.00 C ATOM 1144 O VAL A 72 4.811 11.124 16.231 1.00 0.00 O ATOM 1145 CB VAL A 72 7.476 10.757 17.694 1.00 0.00 C ATOM 1146 CG1 VAL A 72 7.144 9.655 18.700 1.00 0.00 C ATOM 1147 CG2 VAL A 72 8.983 11.027 17.724 1.00 0.00 C ATOM 0 H VAL A 72 6.967 12.239 15.385 1.00 0.00 H new ATOM 0 HA VAL A 72 7.498 9.338 16.033 1.00 0.00 H new ATOM 0 HB VAL A 72 6.936 11.668 17.953 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.436 9.975 19.700 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.072 9.456 18.681 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.686 8.747 18.437 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.275 11.349 18.724 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.521 10.115 17.465 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.227 11.809 17.005 1.00 0.00 H new ATOM 1157 N LEU A 73 5.064 8.944 16.096 1.00 0.00 N ATOM 1158 CA LEU A 73 3.591 8.723 16.006 1.00 0.00 C ATOM 1159 C LEU A 73 3.195 7.501 16.840 1.00 0.00 C ATOM 1160 O LEU A 73 3.893 6.505 16.865 1.00 0.00 O ATOM 1161 CB LEU A 73 3.325 8.477 14.516 1.00 0.00 C ATOM 1162 CG LEU A 73 1.843 8.702 14.186 1.00 0.00 C ATOM 1163 CD1 LEU A 73 0.991 7.634 14.875 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.401 10.092 14.661 1.00 0.00 C ATOM 0 H LEU A 73 5.631 8.096 16.067 1.00 0.00 H new ATOM 0 HA LEU A 73 3.014 9.565 16.387 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.942 9.146 13.916 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.611 7.458 14.254 1.00 0.00 H new ATOM 0 HG LEU A 73 1.709 8.634 13.106 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.060 7.798 14.638 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.292 6.647 14.525 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.133 7.695 15.954 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.348 10.241 14.422 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.543 10.170 15.739 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.998 10.854 14.160 1.00 0.00 H new ATOM 1176 N THR A 74 2.083 7.568 17.523 1.00 0.00 N ATOM 1177 CA THR A 74 1.649 6.405 18.357 1.00 0.00 C ATOM 1178 C THR A 74 0.910 5.382 17.492 1.00 0.00 C ATOM 1179 O THR A 74 -0.044 5.706 16.812 1.00 0.00 O ATOM 1180 CB THR A 74 0.711 6.994 19.416 1.00 0.00 C ATOM 1181 OG1 THR A 74 -0.458 7.500 18.783 1.00 0.00 O ATOM 1182 CG2 THR A 74 1.419 8.123 20.167 1.00 0.00 C ATOM 0 H THR A 74 1.458 8.374 17.541 1.00 0.00 H new ATOM 0 HA THR A 74 2.494 5.887 18.811 1.00 0.00 H new ATOM 0 HB THR A 74 0.433 6.214 20.125 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.500 7.170 17.861 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.747 8.538 20.918 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.312 7.732 20.655 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.704 8.905 19.464 1.00 0.00 H new ATOM 1190 N LEU A 75 1.343 4.148 17.516 1.00 0.00 N ATOM 1191 CA LEU A 75 0.664 3.103 16.697 1.00 0.00 C ATOM 1192 C LEU A 75 -0.236 2.251 17.593 1.00 0.00 C ATOM 1193 O LEU A 75 0.149 1.858 18.676 1.00 0.00 O ATOM 1194 CB LEU A 75 1.794 2.256 16.111 1.00 0.00 C ATOM 1195 CG LEU A 75 2.705 3.138 15.248 1.00 0.00 C ATOM 1196 CD1 LEU A 75 4.074 3.268 15.915 1.00 0.00 C ATOM 1197 CD2 LEU A 75 2.871 2.500 13.867 1.00 0.00 C ATOM 0 H LEU A 75 2.136 3.820 18.067 1.00 0.00 H new ATOM 0 HA LEU A 75 0.035 3.529 15.916 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.371 1.796 16.913 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.381 1.446 15.510 1.00 0.00 H new ATOM 0 HG LEU A 75 2.258 4.126 15.143 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.720 3.895 15.300 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.958 3.722 16.899 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.522 2.280 16.022 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.518 3.126 13.253 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.317 1.511 13.974 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.896 2.408 13.389 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.431 1.970 17.155 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.353 1.150 17.991 1.00 0.00 C ATOM 1211 C VAL A 76 -3.208 0.235 17.110 1.00 0.00 C ATOM 1212 O VAL A 76 -3.223 0.352 15.901 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.232 2.165 18.725 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.360 3.044 19.622 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -3.961 3.046 17.705 1.00 0.00 C ATOM 0 H VAL A 76 -1.809 2.271 16.257 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.812 0.502 18.681 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.963 1.634 19.335 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.987 3.766 20.144 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.842 2.420 20.350 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.628 3.573 19.012 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.587 3.768 18.229 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.230 3.575 17.093 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.585 2.422 17.066 1.00 0.00 H new ATOM 1225 N LEU A 77 -3.920 -0.674 17.717 1.00 0.00 N ATOM 1226 CA LEU A 77 -4.785 -1.605 16.932 1.00 0.00 C ATOM 1227 C LEU A 77 -6.202 -1.615 17.515 1.00 0.00 C ATOM 1228 O LEU A 77 -6.397 -1.405 18.696 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.132 -2.986 17.079 1.00 0.00 C ATOM 1230 CG LEU A 77 -3.993 -3.349 18.564 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -5.070 -4.362 18.951 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.611 -3.960 18.809 1.00 0.00 C ATOM 0 H LEU A 77 -3.941 -0.814 18.727 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.868 -1.309 15.886 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.734 -3.738 16.568 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.151 -2.985 16.603 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.110 -2.449 19.168 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.968 -4.617 20.006 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.055 -3.930 18.776 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.956 -5.263 18.347 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.509 -4.219 19.863 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.498 -4.858 18.202 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.841 -3.238 18.537 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.193 -1.852 16.696 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.597 -1.870 17.207 1.00 0.00 C ATOM 1246 C GLU A 78 -9.060 -3.309 17.461 1.00 0.00 C ATOM 1247 O GLU A 78 -10.050 -3.540 18.128 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.430 -1.220 16.100 1.00 0.00 C ATOM 1249 CG GLU A 78 -10.895 -1.147 16.534 1.00 0.00 C ATOM 1250 CD GLU A 78 -11.754 -0.683 15.355 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -11.308 0.188 14.630 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.845 -1.209 15.201 1.00 0.00 O ATOM 0 H GLU A 78 -7.092 -2.034 15.697 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.695 -1.341 18.155 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.053 -0.220 15.888 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.342 -1.796 15.179 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.232 -2.124 16.881 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.004 -0.457 17.371 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.357 -4.279 16.937 1.00 0.00 N ATOM 1260 CA GLU A 79 -8.766 -5.701 17.152 1.00 0.00 C ATOM 1261 C GLU A 79 -8.876 -5.998 18.654 1.00 0.00 C ATOM 1262 O GLU A 79 -9.959 -6.116 19.193 1.00 0.00 O ATOM 1263 CB GLU A 79 -7.652 -6.536 16.513 1.00 0.00 C ATOM 1264 CG GLU A 79 -7.949 -8.025 16.706 1.00 0.00 C ATOM 1265 CD GLU A 79 -6.732 -8.846 16.278 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -6.557 -9.034 15.086 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -5.995 -9.277 17.152 1.00 0.00 O ATOM 0 H GLU A 79 -7.519 -4.150 16.370 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.739 -5.924 16.715 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.575 -6.305 15.450 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.692 -6.285 16.964 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.189 -8.227 17.750 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.820 -8.312 16.118 1.00 0.00 H new ATOM 1274 N ASP A 80 -7.765 -6.118 19.330 1.00 0.00 N ATOM 1275 CA ASP A 80 -7.806 -6.403 20.794 1.00 0.00 C ATOM 1276 C ASP A 80 -7.845 -5.095 21.593 1.00 0.00 C ATOM 1277 O ASP A 80 -8.139 -5.087 22.772 1.00 0.00 O ATOM 1278 CB ASP A 80 -6.515 -7.168 21.085 1.00 0.00 C ATOM 1279 CG ASP A 80 -6.533 -7.668 22.530 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -6.130 -6.915 23.403 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -6.947 -8.797 22.741 1.00 0.00 O ATOM 0 H ASP A 80 -6.830 -6.031 18.932 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.692 -6.972 21.076 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.416 -8.009 20.399 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.652 -6.522 20.923 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.549 -3.988 20.961 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.570 -2.684 21.683 1.00 0.00 C ATOM 1288 C GLY A 81 -6.299 -2.538 22.522 1.00 0.00 C ATOM 1289 O GLY A 81 -6.341 -2.545 23.737 1.00 0.00 O ATOM 0 H GLY A 81 -7.294 -3.933 19.975 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.642 -1.863 20.969 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.449 -2.627 22.325 1.00 0.00 H new ATOM 1293 N THR A 82 -5.167 -2.403 21.883 1.00 0.00 N ATOM 1294 CA THR A 82 -3.890 -2.252 22.642 1.00 0.00 C ATOM 1295 C THR A 82 -2.988 -1.218 21.960 1.00 0.00 C ATOM 1296 O THR A 82 -3.044 -1.028 20.761 1.00 0.00 O ATOM 1297 CB THR A 82 -3.240 -3.636 22.610 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.140 -4.591 23.156 1.00 0.00 O ATOM 1299 CG2 THR A 82 -1.952 -3.618 23.433 1.00 0.00 C ATOM 0 H THR A 82 -5.071 -2.391 20.868 1.00 0.00 H new ATOM 0 HA THR A 82 -4.056 -1.905 23.662 1.00 0.00 H new ATOM 0 HB THR A 82 -3.005 -3.903 21.580 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.727 -5.479 23.135 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.491 -4.605 23.409 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.263 -2.885 23.014 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.183 -3.351 24.464 1.00 0.00 H new ATOM 1307 N ALA A 83 -2.157 -0.550 22.717 1.00 0.00 N ATOM 1308 CA ALA A 83 -1.250 0.473 22.112 1.00 0.00 C ATOM 1309 C ALA A 83 0.099 -0.159 21.762 1.00 0.00 C ATOM 1310 O ALA A 83 0.525 -1.118 22.376 1.00 0.00 O ATOM 1311 CB ALA A 83 -1.082 1.539 23.194 1.00 0.00 C ATOM 0 H ALA A 83 -2.066 -0.668 23.726 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.652 0.890 21.189 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.427 2.329 22.827 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.056 1.961 23.443 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.643 1.088 24.084 1.00 0.00 H new ATOM 1317 N VAL A 84 0.775 0.369 20.774 1.00 0.00 N ATOM 1318 CA VAL A 84 2.097 -0.206 20.382 1.00 0.00 C ATOM 1319 C VAL A 84 3.048 0.906 19.926 1.00 0.00 C ATOM 1320 O VAL A 84 2.625 1.933 19.431 1.00 0.00 O ATOM 1321 CB VAL A 84 1.800 -1.153 19.215 1.00 0.00 C ATOM 1322 CG1 VAL A 84 3.049 -1.980 18.895 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.650 -2.093 19.589 1.00 0.00 C ATOM 0 H VAL A 84 0.470 1.171 20.223 1.00 0.00 H new ATOM 0 HA VAL A 84 2.576 -0.721 21.215 1.00 0.00 H new ATOM 0 HB VAL A 84 1.517 -0.566 18.341 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.837 -2.653 18.065 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.867 -1.313 18.621 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.334 -2.563 19.771 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.443 -2.764 18.756 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.929 -2.678 20.465 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.241 -1.507 19.813 1.00 0.00 H new ATOM 1333 N ASP A 85 4.327 0.704 20.086 1.00 0.00 N ATOM 1334 CA ASP A 85 5.311 1.741 19.657 1.00 0.00 C ATOM 1335 C ASP A 85 6.587 1.076 19.126 1.00 0.00 C ATOM 1336 O ASP A 85 7.638 1.683 19.077 1.00 0.00 O ATOM 1337 CB ASP A 85 5.609 2.553 20.920 1.00 0.00 C ATOM 1338 CG ASP A 85 6.170 1.633 22.006 1.00 0.00 C ATOM 1339 OD1 ASP A 85 7.322 1.245 21.891 1.00 0.00 O ATOM 1340 OD2 ASP A 85 5.439 1.331 22.936 1.00 0.00 O ATOM 0 H ASP A 85 4.735 -0.136 20.496 1.00 0.00 H new ATOM 0 HA ASP A 85 4.926 2.368 18.853 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.325 3.344 20.695 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.700 3.038 21.275 1.00 0.00 H new ATOM 1345 N SER A 86 6.501 -0.167 18.732 1.00 0.00 N ATOM 1346 CA SER A 86 7.706 -0.875 18.208 1.00 0.00 C ATOM 1347 C SER A 86 7.311 -1.847 17.094 1.00 0.00 C ATOM 1348 O SER A 86 6.145 -2.027 16.800 1.00 0.00 O ATOM 1349 CB SER A 86 8.272 -1.634 19.408 1.00 0.00 C ATOM 1350 OG SER A 86 9.357 -2.444 18.980 1.00 0.00 O ATOM 0 H SER A 86 5.647 -0.724 18.750 1.00 0.00 H new ATOM 0 HA SER A 86 8.434 -0.186 17.780 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.606 -0.932 20.172 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.497 -2.253 19.860 1.00 0.00 H new ATOM 0 HG SER A 86 9.724 -2.931 19.747 1.00 0.00 H new ATOM 1356 N GLU A 87 8.275 -2.477 16.474 1.00 0.00 N ATOM 1357 CA GLU A 87 7.960 -3.444 15.379 1.00 0.00 C ATOM 1358 C GLU A 87 7.069 -4.582 15.899 1.00 0.00 C ATOM 1359 O GLU A 87 6.471 -5.309 15.131 1.00 0.00 O ATOM 1360 CB GLU A 87 9.315 -3.988 14.927 1.00 0.00 C ATOM 1361 CG GLU A 87 9.196 -4.540 13.506 1.00 0.00 C ATOM 1362 CD GLU A 87 10.110 -5.758 13.351 1.00 0.00 C ATOM 1363 OE1 GLU A 87 11.211 -5.718 13.875 1.00 0.00 O ATOM 1364 OE2 GLU A 87 9.692 -6.710 12.712 1.00 0.00 O ATOM 0 H GLU A 87 9.268 -2.364 16.679 1.00 0.00 H new ATOM 0 HA GLU A 87 7.415 -2.970 14.562 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.065 -3.198 14.960 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.649 -4.772 15.606 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.163 -4.819 13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.470 -3.772 12.782 1.00 0.00 H new ATOM 1371 N ASP A 88 6.976 -4.739 17.194 1.00 0.00 N ATOM 1372 CA ASP A 88 6.124 -5.830 17.761 1.00 0.00 C ATOM 1373 C ASP A 88 4.649 -5.624 17.381 1.00 0.00 C ATOM 1374 O ASP A 88 3.825 -6.490 17.598 1.00 0.00 O ATOM 1375 CB ASP A 88 6.303 -5.725 19.277 1.00 0.00 C ATOM 1376 CG ASP A 88 5.540 -6.860 19.961 1.00 0.00 C ATOM 1377 OD1 ASP A 88 6.066 -7.960 20.002 1.00 0.00 O ATOM 1378 OD2 ASP A 88 4.443 -6.611 20.432 1.00 0.00 O ATOM 0 H ASP A 88 7.453 -4.159 17.885 1.00 0.00 H new ATOM 0 HA ASP A 88 6.411 -6.809 17.378 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.361 -5.778 19.533 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.937 -4.761 19.631 1.00 0.00 H new ATOM 1383 N PHE A 89 4.311 -4.486 16.821 1.00 0.00 N ATOM 1384 CA PHE A 89 2.892 -4.216 16.426 1.00 0.00 C ATOM 1385 C PHE A 89 2.257 -5.447 15.760 1.00 0.00 C ATOM 1386 O PHE A 89 1.257 -5.960 16.220 1.00 0.00 O ATOM 1387 CB PHE A 89 2.982 -3.055 15.432 1.00 0.00 C ATOM 1388 CG PHE A 89 1.613 -2.742 14.874 1.00 0.00 C ATOM 1389 CD1 PHE A 89 0.535 -2.538 15.736 1.00 0.00 C ATOM 1390 CD2 PHE A 89 1.427 -2.655 13.492 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.736 -2.248 15.221 1.00 0.00 C ATOM 1392 CE2 PHE A 89 0.162 -2.364 12.966 1.00 0.00 C ATOM 1393 CZ PHE A 89 -0.935 -2.157 13.828 1.00 0.00 C ATOM 0 H PHE A 89 4.963 -3.728 16.620 1.00 0.00 H new ATOM 0 HA PHE A 89 2.268 -3.981 17.288 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.392 -2.174 15.926 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.664 -3.312 14.621 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.680 -2.604 16.804 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.263 -2.813 12.826 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.566 -2.094 15.894 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.026 -2.298 11.897 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.912 -1.932 13.427 1.00 0.00 H new ATOM 1403 N PHE A 90 2.828 -5.918 14.684 1.00 0.00 N ATOM 1404 CA PHE A 90 2.250 -7.110 13.993 1.00 0.00 C ATOM 1405 C PHE A 90 2.523 -8.388 14.798 1.00 0.00 C ATOM 1406 O PHE A 90 1.935 -9.423 14.549 1.00 0.00 O ATOM 1407 CB PHE A 90 2.959 -7.170 12.642 1.00 0.00 C ATOM 1408 CG PHE A 90 2.358 -6.144 11.710 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.130 -6.395 11.094 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.030 -4.946 11.464 1.00 0.00 C ATOM 1411 CE1 PHE A 90 0.570 -5.447 10.228 1.00 0.00 C ATOM 1412 CE2 PHE A 90 2.481 -3.992 10.599 1.00 0.00 C ATOM 1413 CZ PHE A 90 1.241 -4.233 9.971 1.00 0.00 C ATOM 0 H PHE A 90 3.668 -5.531 14.253 1.00 0.00 H new ATOM 0 HA PHE A 90 1.168 -7.032 13.886 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.025 -6.980 12.770 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.862 -8.167 12.213 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.611 -7.322 11.286 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.978 -4.754 11.943 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.380 -5.646 9.755 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.009 -3.068 10.412 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.812 -3.500 9.304 1.00 0.00 H new ATOM 1423 N GLN A 91 3.413 -8.328 15.754 1.00 0.00 N ATOM 1424 CA GLN A 91 3.723 -9.544 16.565 1.00 0.00 C ATOM 1425 C GLN A 91 2.786 -9.637 17.776 1.00 0.00 C ATOM 1426 O GLN A 91 2.566 -10.703 18.317 1.00 0.00 O ATOM 1427 CB GLN A 91 5.169 -9.355 17.020 1.00 0.00 C ATOM 1428 CG GLN A 91 5.626 -10.590 17.797 1.00 0.00 C ATOM 1429 CD GLN A 91 7.057 -10.378 18.298 1.00 0.00 C ATOM 1430 OE1 GLN A 91 7.868 -9.784 17.616 1.00 0.00 O ATOM 1431 NE2 GLN A 91 7.403 -10.844 19.466 1.00 0.00 N ATOM 0 H GLN A 91 3.938 -7.491 16.008 1.00 0.00 H new ATOM 0 HA GLN A 91 3.589 -10.463 15.994 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.815 -9.196 16.157 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.251 -8.467 17.647 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.958 -10.771 18.639 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.580 -11.472 17.158 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.722 -11.343 20.038 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.355 -10.710 19.807 1.00 0.00 H new ATOM 1440 N LEU A 92 2.239 -8.532 18.206 1.00 0.00 N ATOM 1441 CA LEU A 92 1.322 -8.561 19.386 1.00 0.00 C ATOM 1442 C LEU A 92 0.000 -9.250 19.021 1.00 0.00 C ATOM 1443 O LEU A 92 -0.728 -9.705 19.882 1.00 0.00 O ATOM 1444 CB LEU A 92 1.082 -7.092 19.738 1.00 0.00 C ATOM 1445 CG LEU A 92 0.240 -7.002 21.011 1.00 0.00 C ATOM 1446 CD1 LEU A 92 0.663 -5.771 21.816 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -1.240 -6.882 20.637 1.00 0.00 C ATOM 0 H LEU A 92 2.386 -7.611 17.793 1.00 0.00 H new ATOM 0 HA LEU A 92 1.746 -9.118 20.222 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.034 -6.582 19.883 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.572 -6.589 18.916 1.00 0.00 H new ATOM 0 HG LEU A 92 0.392 -7.899 21.611 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.063 -5.706 22.724 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.717 -5.855 22.083 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.511 -4.874 21.216 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.841 -6.818 21.544 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.392 -5.985 20.037 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.542 -7.758 20.063 1.00 0.00 H new ATOM 1459 N LEU A 93 -0.314 -9.329 17.755 1.00 0.00 N ATOM 1460 CA LEU A 93 -1.589 -9.988 17.339 1.00 0.00 C ATOM 1461 C LEU A 93 -1.286 -11.163 16.404 1.00 0.00 C ATOM 1462 O LEU A 93 -0.193 -11.284 15.884 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.383 -8.913 16.587 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.396 -7.606 17.388 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.283 -6.688 16.881 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -3.745 -6.908 17.205 1.00 0.00 C ATOM 0 H LEU A 93 0.256 -8.966 16.991 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.143 -10.377 18.193 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.939 -8.742 15.606 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.404 -9.255 16.420 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.238 -7.827 18.444 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.291 -5.758 17.450 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.319 -7.181 17.006 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.444 -6.469 15.825 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.754 -5.979 17.775 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.900 -6.688 16.149 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.543 -7.560 17.561 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.245 -12.020 16.174 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.004 -13.173 15.256 1.00 0.00 C ATOM 1480 C GLU A 94 -1.728 -12.639 13.850 1.00 0.00 C ATOM 1481 O GLU A 94 -1.804 -11.448 13.614 1.00 0.00 O ATOM 1482 CB GLU A 94 -3.299 -13.992 15.281 1.00 0.00 C ATOM 1483 CG GLU A 94 -3.011 -15.393 15.825 1.00 0.00 C ATOM 1484 CD GLU A 94 -4.326 -16.073 16.211 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -5.204 -15.384 16.701 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -4.432 -17.271 16.009 1.00 0.00 O ATOM 0 H GLU A 94 -3.180 -11.973 16.579 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.149 -13.780 15.554 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.043 -13.495 15.904 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.717 -14.060 14.277 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.490 -15.986 15.073 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.354 -15.330 16.693 1.00 0.00 H new ATOM 1493 N ASP A 95 -1.401 -13.489 12.912 1.00 0.00 N ATOM 1494 CA ASP A 95 -1.117 -12.981 11.537 1.00 0.00 C ATOM 1495 C ASP A 95 -2.317 -12.182 11.018 1.00 0.00 C ATOM 1496 O ASP A 95 -3.417 -12.689 10.915 1.00 0.00 O ATOM 1497 CB ASP A 95 -0.891 -14.231 10.685 1.00 0.00 C ATOM 1498 CG ASP A 95 -0.589 -13.819 9.241 1.00 0.00 C ATOM 1499 OD1 ASP A 95 0.183 -12.892 9.060 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -1.134 -14.440 8.344 1.00 0.00 O ATOM 0 H ASP A 95 -1.319 -14.498 13.035 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.254 -12.316 11.511 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.063 -14.814 11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.774 -14.869 10.715 1.00 0.00 H new ATOM 1505 N ASP A 96 -2.102 -10.939 10.692 1.00 0.00 N ATOM 1506 CA ASP A 96 -3.214 -10.089 10.173 1.00 0.00 C ATOM 1507 C ASP A 96 -2.645 -8.787 9.606 1.00 0.00 C ATOM 1508 O ASP A 96 -1.463 -8.523 9.712 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.110 -9.806 11.386 1.00 0.00 C ATOM 1510 CG ASP A 96 -3.278 -9.212 12.527 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -2.457 -8.351 12.254 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -3.478 -9.625 13.656 1.00 0.00 O ATOM 0 H ASP A 96 -1.199 -10.470 10.762 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.770 -10.576 9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.905 -9.115 11.107 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.590 -10.727 11.717 1.00 0.00 H new ATOM 1517 N THR A 97 -3.472 -7.961 9.025 1.00 0.00 N ATOM 1518 CA THR A 97 -2.959 -6.674 8.481 1.00 0.00 C ATOM 1519 C THR A 97 -3.815 -5.513 8.991 1.00 0.00 C ATOM 1520 O THR A 97 -4.903 -5.268 8.505 1.00 0.00 O ATOM 1521 CB THR A 97 -3.074 -6.793 6.962 1.00 0.00 C ATOM 1522 OG1 THR A 97 -2.866 -8.144 6.571 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.022 -5.901 6.298 1.00 0.00 C ATOM 0 H THR A 97 -4.472 -8.120 8.905 1.00 0.00 H new ATOM 0 HA THR A 97 -1.932 -6.481 8.791 1.00 0.00 H new ATOM 0 HB THR A 97 -4.069 -6.476 6.650 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.942 -8.218 5.597 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.104 -5.986 5.214 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.185 -4.865 6.594 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.027 -6.216 6.612 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.320 -4.791 9.956 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.082 -3.632 10.499 1.00 0.00 C ATOM 1533 C CYS A 98 -3.111 -2.494 10.805 1.00 0.00 C ATOM 1534 O CYS A 98 -2.069 -2.708 11.391 1.00 0.00 O ATOM 1535 CB CYS A 98 -4.732 -4.147 11.784 1.00 0.00 C ATOM 1536 SG CYS A 98 -5.946 -2.940 12.374 1.00 0.00 S ATOM 0 H CYS A 98 -2.414 -4.955 10.395 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.828 -3.251 9.801 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.217 -5.106 11.600 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -3.971 -4.316 12.546 1.00 0.00 H new ATOM 0 HG CYS A 98 -6.500 -3.379 13.465 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.430 -1.293 10.414 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.501 -0.161 10.690 1.00 0.00 C ATOM 1544 C LEU A 99 -3.271 1.102 11.068 1.00 0.00 C ATOM 1545 O LEU A 99 -4.058 1.616 10.298 1.00 0.00 O ATOM 1546 CB LEU A 99 -1.733 0.048 9.384 1.00 0.00 C ATOM 1547 CG LEU A 99 -0.496 0.914 9.648 1.00 0.00 C ATOM 1548 CD1 LEU A 99 0.770 0.106 9.348 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.534 2.150 8.744 1.00 0.00 C ATOM 0 H LEU A 99 -4.287 -1.046 9.919 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.839 -0.377 11.528 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.434 -0.914 8.968 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.375 0.528 8.646 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.490 1.225 10.693 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.649 0.723 9.536 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.801 -0.774 9.990 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.763 -0.207 8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.346 2.765 8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.541 1.837 7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.433 2.728 8.956 1.00 0.00 H new ATOM 1561 N MET A 100 -3.032 1.616 12.242 1.00 0.00 N ATOM 1562 CA MET A 100 -3.726 2.862 12.671 1.00 0.00 C ATOM 1563 C MET A 100 -2.679 3.918 13.030 1.00 0.00 C ATOM 1564 O MET A 100 -1.715 3.634 13.714 1.00 0.00 O ATOM 1565 CB MET A 100 -4.541 2.461 13.903 1.00 0.00 C ATOM 1566 CG MET A 100 -5.659 3.480 14.135 1.00 0.00 C ATOM 1567 SD MET A 100 -7.245 2.620 14.302 1.00 0.00 S ATOM 1568 CE MET A 100 -7.331 2.649 16.110 1.00 0.00 C ATOM 0 H MET A 100 -2.383 1.225 12.925 1.00 0.00 H new ATOM 0 HA MET A 100 -4.364 3.284 11.895 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.965 1.467 13.763 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.894 2.411 14.779 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.453 4.061 15.034 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.702 4.183 13.303 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.375 2.660 16.424 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.840 1.763 16.512 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.830 3.542 16.484 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.848 5.127 12.568 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.843 6.183 12.885 1.00 0.00 C ATOM 1580 C VAL A 101 -2.539 7.475 13.319 1.00 0.00 C ATOM 1581 O VAL A 101 -3.211 8.124 12.541 1.00 0.00 O ATOM 1582 CB VAL A 101 -1.076 6.390 11.576 1.00 0.00 C ATOM 1583 CG1 VAL A 101 -0.012 7.473 11.763 1.00 0.00 C ATOM 1584 CG2 VAL A 101 -0.397 5.081 11.170 1.00 0.00 C ATOM 0 H VAL A 101 -3.632 5.428 11.989 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.185 5.898 13.706 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.774 6.699 10.798 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.530 7.616 10.828 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.492 8.409 12.051 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.685 7.168 12.544 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.149 5.228 10.238 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.297 4.773 11.952 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.152 4.308 11.030 1.00 0.00 H new ATOM 1594 N LEU A 102 -2.375 7.853 14.559 1.00 0.00 N ATOM 1595 CA LEU A 102 -3.013 9.107 15.055 1.00 0.00 C ATOM 1596 C LEU A 102 -2.122 9.770 16.107 1.00 0.00 C ATOM 1597 O LEU A 102 -1.097 9.237 16.493 1.00 0.00 O ATOM 1598 CB LEU A 102 -4.353 8.677 15.667 1.00 0.00 C ATOM 1599 CG LEU A 102 -4.155 7.454 16.564 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -5.168 7.495 17.709 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -4.374 6.181 15.742 1.00 0.00 C ATOM 0 H LEU A 102 -1.825 7.345 15.252 1.00 0.00 H new ATOM 0 HA LEU A 102 -3.158 9.835 14.257 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.777 9.497 16.246 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.065 8.445 14.875 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.143 7.459 16.969 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.029 6.624 18.350 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.020 8.403 18.294 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.179 7.487 17.301 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.233 5.308 16.379 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.387 6.177 15.340 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.658 6.150 14.921 1.00 0.00 H new ATOM 1613 N GLN A 103 -2.500 10.930 16.574 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.673 11.628 17.601 1.00 0.00 C ATOM 1615 C GLN A 103 -1.936 11.027 18.986 1.00 0.00 C ATOM 1616 O GLN A 103 -2.818 10.210 19.160 1.00 0.00 O ATOM 1617 CB GLN A 103 -2.133 13.087 17.551 1.00 0.00 C ATOM 1618 CG GLN A 103 -1.171 13.959 18.359 1.00 0.00 C ATOM 1619 CD GLN A 103 -1.404 15.431 18.012 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -2.323 16.048 18.510 1.00 0.00 O ATOM 1621 NE2 GLN A 103 -0.602 16.023 17.170 1.00 0.00 N ATOM 0 H GLN A 103 -3.345 11.424 16.289 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.604 11.531 17.411 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.170 13.431 16.517 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.143 13.174 17.953 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.325 13.797 19.426 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.140 13.681 18.140 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.170 15.505 16.751 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.748 17.004 16.931 1.00 0.00 H new ATOM 1630 N SER A 104 -1.171 11.425 19.971 1.00 0.00 N ATOM 1631 CA SER A 104 -1.367 10.879 21.350 1.00 0.00 C ATOM 1632 C SER A 104 -2.838 10.981 21.767 1.00 0.00 C ATOM 1633 O SER A 104 -3.553 11.867 21.344 1.00 0.00 O ATOM 1634 CB SER A 104 -0.494 11.754 22.248 1.00 0.00 C ATOM 1635 OG SER A 104 -0.976 13.092 22.208 1.00 0.00 O ATOM 0 H SER A 104 -0.417 12.106 19.880 1.00 0.00 H new ATOM 0 HA SER A 104 -1.097 9.825 21.415 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.513 11.378 23.271 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.543 11.718 21.914 1.00 0.00 H new ATOM 0 HG SER A 104 -0.420 13.657 22.784 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.292 10.077 22.595 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.714 10.118 23.041 1.00 0.00 C ATOM 1643 C GLY A 105 -5.575 9.295 22.079 1.00 0.00 C ATOM 1644 O GLY A 105 -6.297 9.834 21.263 1.00 0.00 O ATOM 0 H GLY A 105 -2.739 9.312 22.981 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.800 9.722 24.053 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.067 11.149 23.071 1.00 0.00 H new ATOM 1648 N GLN A 106 -5.501 7.994 22.169 1.00 0.00 N ATOM 1649 CA GLN A 106 -6.313 7.132 21.259 1.00 0.00 C ATOM 1650 C GLN A 106 -7.748 7.012 21.783 1.00 0.00 C ATOM 1651 O GLN A 106 -8.009 7.202 22.956 1.00 0.00 O ATOM 1652 CB GLN A 106 -5.618 5.768 21.282 1.00 0.00 C ATOM 1653 CG GLN A 106 -6.462 4.747 20.512 1.00 0.00 C ATOM 1654 CD GLN A 106 -5.760 3.385 20.503 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -5.900 2.630 19.563 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -5.015 3.032 21.516 1.00 0.00 N ATOM 0 H GLN A 106 -4.913 7.490 22.833 1.00 0.00 H new ATOM 0 HA GLN A 106 -6.377 7.541 20.251 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.627 5.846 20.835 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.479 5.437 22.311 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -7.446 4.655 20.973 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.620 5.091 19.490 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.896 3.665 22.307 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.552 2.123 21.516 1.00 0.00 H new ATOM 1665 N SER A 107 -8.678 6.693 20.923 1.00 0.00 N ATOM 1666 CA SER A 107 -10.095 6.554 21.369 1.00 0.00 C ATOM 1667 C SER A 107 -10.765 5.368 20.671 1.00 0.00 C ATOM 1668 O SER A 107 -11.020 5.397 19.483 1.00 0.00 O ATOM 1669 CB SER A 107 -10.783 7.864 20.974 1.00 0.00 C ATOM 1670 OG SER A 107 -9.931 8.618 20.119 1.00 0.00 O ATOM 0 H SER A 107 -8.518 6.523 19.930 1.00 0.00 H new ATOM 0 HA SER A 107 -10.161 6.370 22.441 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.725 7.652 20.469 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.023 8.443 21.866 1.00 0.00 H new ATOM 0 HG SER A 107 -10.376 9.454 19.868 1.00 0.00 H new