USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 411 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 36 HIS : no HE2:sc= -2.79! K(o=-3.3!,f=-4.1) USER MOD Set 1.2: A 86 THR OG1 : rot -170:sc= -0.467 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-2.9!) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.894 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 537 N GLY A 33 3.820 -9.661 -15.587 1.00 0.00 N ATOM 538 CA GLY A 33 4.236 -9.308 -16.972 1.00 0.00 C ATOM 539 C GLY A 33 3.299 -9.984 -17.975 1.00 0.00 C ATOM 540 O GLY A 33 3.610 -10.113 -19.142 1.00 0.00 O ATOM 0 HA2 GLY A 33 4.210 -8.227 -17.106 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.264 -9.627 -17.147 1.00 0.00 H new ATOM 544 N SER A 34 2.151 -10.417 -17.528 1.00 0.00 N ATOM 545 CA SER A 34 1.195 -11.084 -18.455 1.00 0.00 C ATOM 546 C SER A 34 -0.055 -10.217 -18.609 1.00 0.00 C ATOM 547 O SER A 34 -0.305 -9.325 -17.823 1.00 0.00 O ATOM 548 CB SER A 34 0.800 -12.448 -17.886 1.00 0.00 C ATOM 549 OG SER A 34 1.200 -13.468 -18.792 1.00 0.00 O ATOM 0 H SER A 34 1.835 -10.337 -16.561 1.00 0.00 H new ATOM 0 HA SER A 34 1.667 -11.218 -19.428 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.273 -12.601 -16.916 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.277 -12.490 -17.726 1.00 0.00 H new ATOM 0 HG SER A 34 0.950 -14.344 -18.430 1.00 0.00 H new ATOM 555 N VAL A 35 -0.843 -10.470 -19.618 1.00 0.00 N ATOM 556 CA VAL A 35 -2.076 -9.661 -19.823 1.00 0.00 C ATOM 557 C VAL A 35 -3.297 -10.469 -19.379 1.00 0.00 C ATOM 558 O VAL A 35 -3.259 -11.682 -19.315 1.00 0.00 O ATOM 559 CB VAL A 35 -2.211 -9.307 -21.305 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.946 -8.590 -21.776 1.00 0.00 C ATOM 561 CG2 VAL A 35 -2.401 -10.590 -22.118 1.00 0.00 C ATOM 0 H VAL A 35 -0.685 -11.203 -20.310 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.013 -8.746 -19.234 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.072 -8.654 -21.446 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.042 -8.338 -22.832 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.808 -7.677 -21.196 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.084 -9.243 -21.636 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.497 -10.340 -23.175 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.539 -11.242 -21.976 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.302 -11.103 -21.783 1.00 0.00 H new ATOM 571 N HIS A 36 -4.380 -9.809 -19.072 1.00 0.00 N ATOM 572 CA HIS A 36 -5.598 -10.547 -18.631 1.00 0.00 C ATOM 573 C HIS A 36 -6.803 -9.605 -18.642 1.00 0.00 C ATOM 574 O HIS A 36 -6.662 -8.398 -18.667 1.00 0.00 O ATOM 575 CB HIS A 36 -5.387 -11.077 -17.213 1.00 0.00 C ATOM 576 CG HIS A 36 -5.094 -9.925 -16.292 1.00 0.00 C ATOM 577 ND1 HIS A 36 -6.085 -9.302 -15.549 1.00 0.00 N ATOM 578 CD2 HIS A 36 -3.928 -9.268 -15.989 1.00 0.00 C ATOM 579 CE1 HIS A 36 -5.501 -8.316 -14.842 1.00 0.00 C ATOM 580 NE2 HIS A 36 -4.187 -8.253 -15.072 1.00 0.00 N ATOM 0 H HIS A 36 -4.474 -8.794 -19.107 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.780 -11.379 -19.311 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.276 -11.611 -16.876 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.562 -11.789 -17.197 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.075 -9.546 -15.540 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.957 -9.503 -16.399 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.031 -7.656 -14.171 1.00 0.00 H new ATOM 588 N GLU A 37 -7.989 -10.150 -18.614 1.00 0.00 N ATOM 589 CA GLU A 37 -9.205 -9.291 -18.613 1.00 0.00 C ATOM 590 C GLU A 37 -9.728 -9.167 -17.181 1.00 0.00 C ATOM 591 O GLU A 37 -9.804 -10.136 -16.453 1.00 0.00 O ATOM 592 CB GLU A 37 -10.279 -9.927 -19.500 1.00 0.00 C ATOM 593 CG GLU A 37 -9.822 -9.889 -20.960 1.00 0.00 C ATOM 594 CD GLU A 37 -8.797 -10.999 -21.203 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.872 -12.007 -20.521 1.00 0.00 O ATOM 596 OE2 GLU A 37 -7.956 -10.821 -22.068 1.00 0.00 O ATOM 0 H GLU A 37 -8.167 -11.154 -18.592 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.959 -8.302 -19.000 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.459 -10.957 -19.191 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.222 -9.392 -19.389 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.677 -10.018 -21.623 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.384 -8.918 -21.190 1.00 0.00 H new ATOM 603 N GLY A 38 -10.079 -7.981 -16.766 1.00 0.00 N ATOM 604 CA GLY A 38 -10.584 -7.801 -15.375 1.00 0.00 C ATOM 605 C GLY A 38 -11.647 -6.703 -15.348 1.00 0.00 C ATOM 606 O GLY A 38 -11.929 -6.071 -16.347 1.00 0.00 O ATOM 0 H GLY A 38 -10.038 -7.131 -17.328 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.005 -8.737 -15.007 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.761 -7.539 -14.710 1.00 0.00 H new ATOM 610 N ILE A 39 -12.237 -6.468 -14.208 1.00 0.00 N ATOM 611 CA ILE A 39 -13.278 -5.408 -14.113 1.00 0.00 C ATOM 612 C ILE A 39 -12.625 -4.127 -13.594 1.00 0.00 C ATOM 613 O ILE A 39 -11.607 -4.166 -12.931 1.00 0.00 O ATOM 614 CB ILE A 39 -14.376 -5.857 -13.147 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.784 -7.296 -13.476 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.592 -4.941 -13.291 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.369 -7.960 -12.228 1.00 0.00 C ATOM 0 H ILE A 39 -12.043 -6.965 -13.339 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.720 -5.227 -15.093 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.002 -5.806 -12.124 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.518 -7.302 -14.282 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.920 -7.859 -13.829 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.373 -5.262 -12.602 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.304 -3.915 -13.060 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.967 -4.992 -14.313 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.659 -8.984 -12.463 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.621 -7.968 -11.435 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.244 -7.402 -11.895 1.00 0.00 H new ATOM 629 N VAL A 40 -13.182 -2.988 -13.905 1.00 0.00 N ATOM 630 CA VAL A 40 -12.561 -1.715 -13.441 1.00 0.00 C ATOM 631 C VAL A 40 -13.371 -1.112 -12.292 1.00 0.00 C ATOM 632 O VAL A 40 -14.564 -1.305 -12.185 1.00 0.00 O ATOM 633 CB VAL A 40 -12.515 -0.723 -14.605 1.00 0.00 C ATOM 634 CG1 VAL A 40 -12.102 0.655 -14.089 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.498 -1.202 -15.644 1.00 0.00 C ATOM 0 H VAL A 40 -14.034 -2.884 -14.456 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.551 -1.923 -13.087 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.502 -0.658 -15.063 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.070 1.360 -14.920 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.825 0.998 -13.349 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.116 0.591 -13.629 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.465 -0.496 -16.473 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.512 -1.268 -15.184 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.792 -2.184 -16.015 1.00 0.00 H new ATOM 645 N TYR A 41 -12.721 -0.374 -11.433 1.00 0.00 N ATOM 646 CA TYR A 41 -13.436 0.258 -10.288 1.00 0.00 C ATOM 647 C TYR A 41 -12.850 1.650 -10.043 1.00 0.00 C ATOM 648 O TYR A 41 -11.670 1.877 -10.229 1.00 0.00 O ATOM 649 CB TYR A 41 -13.258 -0.602 -9.035 1.00 0.00 C ATOM 650 CG TYR A 41 -14.497 -0.506 -8.178 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.648 -1.225 -8.527 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.496 0.303 -7.033 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.798 -1.135 -7.731 1.00 0.00 C ATOM 654 CE2 TYR A 41 -15.646 0.393 -6.237 1.00 0.00 C ATOM 655 CZ TYR A 41 -16.797 -0.326 -6.586 1.00 0.00 C ATOM 656 OH TYR A 41 -17.930 -0.238 -5.804 1.00 0.00 O ATOM 0 H TYR A 41 -11.720 -0.181 -11.476 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.498 0.341 -10.517 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.077 -1.639 -9.316 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.387 -0.267 -8.472 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.649 -1.848 -9.409 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.609 0.857 -6.764 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.685 -1.689 -8.000 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.645 1.016 -5.355 1.00 0.00 H new ATOM 0 HH TYR A 41 -17.760 0.363 -5.049 1.00 0.00 H new ATOM 666 N PHE A 42 -13.660 2.587 -9.632 1.00 0.00 N ATOM 667 CA PHE A 42 -13.140 3.963 -9.387 1.00 0.00 C ATOM 668 C PHE A 42 -13.079 4.233 -7.883 1.00 0.00 C ATOM 669 O PHE A 42 -14.084 4.230 -7.201 1.00 0.00 O ATOM 670 CB PHE A 42 -14.069 4.983 -10.048 1.00 0.00 C ATOM 671 CG PHE A 42 -15.385 5.020 -9.310 1.00 0.00 C ATOM 672 CD1 PHE A 42 -16.368 4.060 -9.584 1.00 0.00 C ATOM 673 CD2 PHE A 42 -15.625 6.016 -8.352 1.00 0.00 C ATOM 674 CE1 PHE A 42 -17.590 4.094 -8.901 1.00 0.00 C ATOM 675 CE2 PHE A 42 -16.849 6.051 -7.670 1.00 0.00 C ATOM 676 CZ PHE A 42 -17.832 5.090 -7.945 1.00 0.00 C ATOM 0 H PHE A 42 -14.657 2.460 -9.456 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.139 4.050 -9.810 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.607 5.970 -10.039 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.233 4.718 -11.092 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.183 3.294 -10.322 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -14.867 6.756 -8.140 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.346 3.352 -9.111 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.035 6.818 -6.933 1.00 0.00 H new ATOM 0 HZ PHE A 42 -18.776 5.117 -7.420 1.00 0.00 H new ATOM 727 N ILE A 46 -7.254 6.420 -7.429 1.00 0.00 N ATOM 728 CA ILE A 46 -6.611 5.656 -8.535 1.00 0.00 C ATOM 729 C ILE A 46 -7.644 4.711 -9.153 1.00 0.00 C ATOM 730 O ILE A 46 -8.834 4.944 -9.072 1.00 0.00 O ATOM 731 CB ILE A 46 -5.441 4.842 -7.978 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.971 3.799 -6.991 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.467 5.774 -7.254 1.00 0.00 C ATOM 734 CD1 ILE A 46 -5.222 2.481 -7.189 1.00 0.00 C ATOM 0 HA ILE A 46 -6.241 6.345 -9.295 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.925 4.342 -8.798 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.842 4.153 -5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.040 3.649 -7.144 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.634 5.193 -6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.089 6.520 -7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.983 6.274 -6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.600 1.739 -6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.374 2.126 -8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.158 2.638 -7.014 1.00 0.00 H new ATOM 746 N PHE A 47 -7.207 3.643 -9.765 1.00 0.00 N ATOM 747 CA PHE A 47 -8.179 2.693 -10.373 1.00 0.00 C ATOM 748 C PHE A 47 -8.072 1.347 -9.657 1.00 0.00 C ATOM 749 O PHE A 47 -7.109 1.077 -8.968 1.00 0.00 O ATOM 750 CB PHE A 47 -7.863 2.513 -11.858 1.00 0.00 C ATOM 751 CG PHE A 47 -8.921 3.203 -12.687 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.424 4.449 -12.288 1.00 0.00 C ATOM 753 CD2 PHE A 47 -9.399 2.597 -13.857 1.00 0.00 C ATOM 754 CE1 PHE A 47 -10.405 5.089 -13.059 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.380 3.237 -14.627 1.00 0.00 C ATOM 756 CZ PHE A 47 -10.882 4.482 -14.228 1.00 0.00 C ATOM 0 H PHE A 47 -6.225 3.389 -9.869 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.191 3.085 -10.270 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.881 2.928 -12.084 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.826 1.452 -12.107 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.056 4.916 -11.387 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.012 1.637 -14.165 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.793 6.049 -12.752 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.749 2.770 -15.528 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.638 4.975 -14.822 1.00 0.00 H new ATOM 766 N LYS A 48 -9.053 0.501 -9.807 1.00 0.00 N ATOM 767 CA LYS A 48 -8.997 -0.821 -9.124 1.00 0.00 C ATOM 768 C LYS A 48 -9.428 -1.922 -10.094 1.00 0.00 C ATOM 769 O LYS A 48 -10.455 -1.833 -10.736 1.00 0.00 O ATOM 770 CB LYS A 48 -9.934 -0.808 -7.917 1.00 0.00 C ATOM 771 CG LYS A 48 -9.118 -0.630 -6.636 1.00 0.00 C ATOM 772 CD LYS A 48 -9.817 0.375 -5.720 1.00 0.00 C ATOM 773 CE LYS A 48 -10.193 -0.304 -4.402 1.00 0.00 C ATOM 774 NZ LYS A 48 -10.249 0.716 -3.316 1.00 0.00 N ATOM 0 H LYS A 48 -9.887 0.667 -10.370 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.977 -1.014 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.658 0.001 -8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.500 -1.738 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.008 -1.587 -6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.114 -0.281 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.161 1.224 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.711 0.765 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.158 -0.801 -4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.462 -1.074 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.505 0.255 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.319 1.171 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.963 1.435 -3.551 1.00 0.00 H new ATOM 788 N VAL A 49 -8.648 -2.962 -10.203 1.00 0.00 N ATOM 789 CA VAL A 49 -9.009 -4.073 -11.127 1.00 0.00 C ATOM 790 C VAL A 49 -9.412 -5.301 -10.310 1.00 0.00 C ATOM 791 O VAL A 49 -8.668 -5.772 -9.473 1.00 0.00 O ATOM 792 CB VAL A 49 -7.803 -4.423 -11.997 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.254 -5.293 -13.172 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.167 -3.137 -12.529 1.00 0.00 C ATOM 0 H VAL A 49 -7.775 -3.090 -9.691 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.840 -3.763 -11.760 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.073 -4.970 -11.401 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.393 -5.542 -13.792 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.706 -6.210 -12.793 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.985 -4.748 -13.769 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.306 -3.386 -13.150 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.897 -2.589 -13.124 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.843 -2.518 -11.692 1.00 0.00 H new ATOM 804 N ARG A 50 -10.581 -5.828 -10.546 1.00 0.00 N ATOM 805 CA ARG A 50 -11.022 -7.028 -9.781 1.00 0.00 C ATOM 806 C ARG A 50 -10.940 -8.264 -10.682 1.00 0.00 C ATOM 807 O ARG A 50 -11.444 -8.271 -11.788 1.00 0.00 O ATOM 808 CB ARG A 50 -12.464 -6.834 -9.311 1.00 0.00 C ATOM 809 CG ARG A 50 -12.636 -7.452 -7.922 1.00 0.00 C ATOM 810 CD ARG A 50 -13.811 -6.782 -7.207 1.00 0.00 C ATOM 811 NE ARG A 50 -13.717 -5.305 -7.376 1.00 0.00 N ATOM 812 CZ ARG A 50 -13.287 -4.561 -6.393 1.00 0.00 C ATOM 813 NH1 ARG A 50 -14.091 -4.247 -5.414 1.00 0.00 N ATOM 814 NH2 ARG A 50 -12.055 -4.133 -6.386 1.00 0.00 N ATOM 0 H ARG A 50 -11.249 -5.481 -11.234 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.375 -7.165 -8.915 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.708 -5.772 -9.281 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.153 -7.300 -10.016 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.813 -8.524 -8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.723 -7.326 -7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.754 -7.146 -7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.801 -7.039 -6.148 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.989 -4.875 -8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.054 -4.583 -5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.756 -3.666 -4.646 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.425 -4.379 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.721 -3.552 -5.617 1.00 0.00 H new ATOM 828 N LEU A 51 -10.310 -9.309 -10.218 1.00 0.00 N ATOM 829 CA LEU A 51 -10.200 -10.541 -11.049 1.00 0.00 C ATOM 830 C LEU A 51 -11.385 -11.462 -10.753 1.00 0.00 C ATOM 831 O LEU A 51 -11.282 -12.393 -9.978 1.00 0.00 O ATOM 832 CB LEU A 51 -8.893 -11.265 -10.718 1.00 0.00 C ATOM 833 CG LEU A 51 -8.214 -11.713 -12.013 1.00 0.00 C ATOM 834 CD1 LEU A 51 -9.166 -12.609 -12.806 1.00 0.00 C ATOM 835 CD2 LEU A 51 -7.857 -10.483 -12.851 1.00 0.00 C ATOM 0 H LEU A 51 -9.867 -9.363 -9.301 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.206 -10.270 -12.105 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.231 -10.604 -10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.094 -12.128 -10.083 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.307 -12.269 -11.774 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.681 -12.928 -13.729 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.423 -13.485 -12.210 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.073 -12.054 -13.046 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.373 -10.800 -13.775 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.765 -9.929 -13.089 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.179 -9.843 -12.287 1.00 0.00 H new ATOM 847 N LEU A 52 -12.511 -11.209 -11.362 1.00 0.00 N ATOM 848 CA LEU A 52 -13.704 -12.068 -11.116 1.00 0.00 C ATOM 849 C LEU A 52 -13.432 -13.484 -11.629 1.00 0.00 C ATOM 850 O LEU A 52 -12.960 -13.676 -12.731 1.00 0.00 O ATOM 851 CB LEU A 52 -14.911 -11.481 -11.851 1.00 0.00 C ATOM 852 CG LEU A 52 -16.191 -12.145 -11.345 1.00 0.00 C ATOM 853 CD1 LEU A 52 -16.929 -11.188 -10.408 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.091 -12.486 -12.535 1.00 0.00 C ATOM 0 H LEU A 52 -12.657 -10.443 -12.020 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.911 -12.106 -10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.960 -10.404 -11.690 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -14.808 -11.638 -12.925 1.00 0.00 H new ATOM 0 HG LEU A 52 -15.937 -13.057 -10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -17.842 -11.663 -10.048 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.289 -10.943 -9.561 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.183 -10.275 -10.947 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.005 -12.960 -12.176 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.343 -11.573 -13.074 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.567 -13.169 -13.204 1.00 0.00 H new ATOM 866 N GLY A 53 -13.730 -14.479 -10.837 1.00 0.00 N ATOM 867 CA GLY A 53 -13.490 -15.882 -11.279 1.00 0.00 C ATOM 868 C GLY A 53 -12.458 -16.539 -10.361 1.00 0.00 C ATOM 869 O GLY A 53 -12.601 -17.679 -9.965 1.00 0.00 O ATOM 0 H GLY A 53 -14.129 -14.380 -9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.423 -16.446 -11.257 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.135 -15.894 -12.309 1.00 0.00 H new ATOM 873 N TYR A 54 -11.418 -15.828 -10.018 1.00 0.00 N ATOM 874 CA TYR A 54 -10.376 -16.412 -9.127 1.00 0.00 C ATOM 875 C TYR A 54 -10.904 -16.471 -7.691 1.00 0.00 C ATOM 876 O TYR A 54 -10.527 -17.326 -6.915 1.00 0.00 O ATOM 877 CB TYR A 54 -9.121 -15.537 -9.172 1.00 0.00 C ATOM 878 CG TYR A 54 -8.099 -16.068 -8.195 1.00 0.00 C ATOM 879 CD1 TYR A 54 -7.189 -17.054 -8.600 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.061 -15.574 -6.885 1.00 0.00 C ATOM 881 CE1 TYR A 54 -6.241 -17.546 -7.694 1.00 0.00 C ATOM 882 CE2 TYR A 54 -7.112 -16.065 -5.979 1.00 0.00 C ATOM 883 CZ TYR A 54 -6.202 -17.051 -6.383 1.00 0.00 C ATOM 884 OH TYR A 54 -5.267 -17.535 -5.490 1.00 0.00 O ATOM 0 H TYR A 54 -11.245 -14.868 -10.317 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.132 -17.419 -9.465 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.706 -15.530 -10.180 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.375 -14.506 -8.924 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.219 -17.434 -9.610 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.763 -14.815 -6.573 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.540 -18.307 -8.005 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.082 -15.684 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.376 -17.085 -4.626 1.00 0.00 H new ATOM 894 N GLU A 55 -11.774 -15.567 -7.331 1.00 0.00 N ATOM 895 CA GLU A 55 -12.326 -15.571 -5.947 1.00 0.00 C ATOM 896 C GLU A 55 -11.195 -15.316 -4.947 1.00 0.00 C ATOM 897 O GLU A 55 -10.566 -16.235 -4.460 1.00 0.00 O ATOM 898 CB GLU A 55 -12.968 -16.928 -5.654 1.00 0.00 C ATOM 899 CG GLU A 55 -13.680 -16.873 -4.300 1.00 0.00 C ATOM 900 CD GLU A 55 -14.609 -18.081 -4.160 1.00 0.00 C ATOM 901 OE1 GLU A 55 -14.118 -19.194 -4.255 1.00 0.00 O ATOM 902 OE2 GLU A 55 -15.794 -17.872 -3.959 1.00 0.00 O ATOM 0 H GLU A 55 -12.126 -14.825 -7.936 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.078 -14.788 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.678 -17.184 -6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.207 -17.708 -5.645 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.948 -16.869 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.253 -15.949 -4.216 1.00 0.00 H new ATOM 909 N GLY A 56 -10.931 -14.076 -4.636 1.00 0.00 N ATOM 910 CA GLY A 56 -9.842 -13.765 -3.668 1.00 0.00 C ATOM 911 C GLY A 56 -8.700 -13.053 -4.395 1.00 0.00 C ATOM 912 O GLY A 56 -7.600 -12.944 -3.889 1.00 0.00 O ATOM 0 H GLY A 56 -11.423 -13.265 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.224 -13.135 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.477 -14.683 -3.207 1.00 0.00 H new ATOM 916 N HIS A 57 -8.951 -12.566 -5.580 1.00 0.00 N ATOM 917 CA HIS A 57 -7.880 -11.861 -6.338 1.00 0.00 C ATOM 918 C HIS A 57 -8.270 -10.394 -6.530 1.00 0.00 C ATOM 919 O HIS A 57 -8.908 -10.033 -7.499 1.00 0.00 O ATOM 920 CB HIS A 57 -7.702 -12.522 -7.705 1.00 0.00 C ATOM 921 CG HIS A 57 -6.369 -13.217 -7.756 1.00 0.00 C ATOM 922 ND1 HIS A 57 -5.867 -13.770 -8.924 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.420 -13.453 -6.792 1.00 0.00 C ATOM 924 CE1 HIS A 57 -4.668 -14.306 -8.636 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.347 -14.141 -7.349 1.00 0.00 N ATOM 0 H HIS A 57 -9.852 -12.626 -6.055 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.945 -11.919 -5.781 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.505 -13.238 -7.882 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.764 -11.773 -8.494 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.495 -13.150 -5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.040 -14.809 -9.357 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.498 -14.452 -6.877 1.00 0.00 H new ATOM 933 N GLU A 58 -7.892 -9.548 -5.613 1.00 0.00 N ATOM 934 CA GLU A 58 -8.239 -8.105 -5.743 1.00 0.00 C ATOM 935 C GLU A 58 -7.026 -7.335 -6.264 1.00 0.00 C ATOM 936 O GLU A 58 -6.076 -7.096 -5.545 1.00 0.00 O ATOM 937 CB GLU A 58 -8.644 -7.551 -4.375 1.00 0.00 C ATOM 938 CG GLU A 58 -9.236 -6.150 -4.548 1.00 0.00 C ATOM 939 CD GLU A 58 -8.397 -5.138 -3.764 1.00 0.00 C ATOM 940 OE1 GLU A 58 -7.290 -5.483 -3.385 1.00 0.00 O ATOM 941 OE2 GLU A 58 -8.876 -4.035 -3.558 1.00 0.00 O ATOM 0 H GLU A 58 -7.358 -9.793 -4.779 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.069 -7.993 -6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.374 -8.210 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.777 -7.513 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.256 -5.881 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.267 -6.134 -4.195 1.00 0.00 H new ATOM 948 N CYS A 59 -7.047 -6.941 -7.508 1.00 0.00 N ATOM 949 CA CYS A 59 -5.893 -6.185 -8.065 1.00 0.00 C ATOM 950 C CYS A 59 -6.242 -4.698 -8.120 1.00 0.00 C ATOM 951 O CYS A 59 -7.398 -4.322 -8.104 1.00 0.00 O ATOM 952 CB CYS A 59 -5.584 -6.689 -9.477 1.00 0.00 C ATOM 953 SG CYS A 59 -5.705 -8.495 -9.513 1.00 0.00 S ATOM 0 H CYS A 59 -7.812 -7.110 -8.161 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.020 -6.333 -7.429 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.282 -6.253 -10.191 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.584 -6.375 -9.776 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.445 -8.924 -10.712 1.00 0.00 H new ATOM 959 N ILE A 60 -5.255 -3.851 -8.187 1.00 0.00 N ATOM 960 CA ILE A 60 -5.528 -2.388 -8.247 1.00 0.00 C ATOM 961 C ILE A 60 -4.715 -1.777 -9.389 1.00 0.00 C ATOM 962 O ILE A 60 -3.584 -2.148 -9.617 1.00 0.00 O ATOM 963 CB ILE A 60 -5.116 -1.737 -6.926 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.744 -2.267 -6.505 1.00 0.00 C ATOM 965 CG2 ILE A 60 -6.145 -2.077 -5.846 1.00 0.00 C ATOM 966 CD1 ILE A 60 -3.397 -1.737 -5.113 1.00 0.00 C ATOM 0 H ILE A 60 -4.268 -4.109 -8.203 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.591 -2.218 -8.417 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.067 -0.656 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.749 -3.357 -6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.986 -1.956 -7.224 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.851 -1.613 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.124 -1.702 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.194 -3.158 -5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.419 -2.115 -4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.374 -0.647 -5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.150 -2.071 -4.399 1.00 0.00 H new ATOM 978 N LEU A 61 -5.276 -0.846 -10.110 1.00 0.00 N ATOM 979 CA LEU A 61 -4.512 -0.234 -11.232 1.00 0.00 C ATOM 980 C LEU A 61 -3.895 1.087 -10.776 1.00 0.00 C ATOM 981 O LEU A 61 -4.569 1.959 -10.252 1.00 0.00 O ATOM 982 CB LEU A 61 -5.439 0.022 -12.419 1.00 0.00 C ATOM 983 CG LEU A 61 -4.593 0.343 -13.652 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.660 -0.823 -14.639 1.00 0.00 C ATOM 985 CD2 LEU A 61 -5.129 1.611 -14.322 1.00 0.00 C ATOM 0 H LEU A 61 -6.220 -0.486 -9.973 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.721 -0.920 -11.536 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.061 -0.853 -12.607 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.113 0.850 -12.199 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.558 0.501 -13.349 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.056 -0.592 -15.517 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.277 -1.725 -14.163 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.695 -0.984 -14.942 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.527 1.841 -15.201 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.165 1.453 -14.623 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.078 2.443 -13.620 1.00 0.00 H new ATOM 997 N LEU A 62 -2.615 1.236 -10.974 1.00 0.00 N ATOM 998 CA LEU A 62 -1.929 2.492 -10.559 1.00 0.00 C ATOM 999 C LEU A 62 -0.479 2.463 -11.048 1.00 0.00 C ATOM 1000 O LEU A 62 0.100 3.485 -11.361 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.950 2.602 -9.032 1.00 0.00 C ATOM 1002 CG LEU A 62 -1.101 3.796 -8.589 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -1.892 5.090 -8.788 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -0.743 3.643 -7.108 1.00 0.00 C ATOM 0 H LEU A 62 -2.011 0.538 -11.408 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.443 3.350 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.975 2.722 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.565 1.685 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.189 3.833 -9.185 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.286 5.939 -8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.150 5.200 -9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.804 5.054 -8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.138 4.492 -6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.657 3.606 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.179 2.722 -6.963 1.00 0.00 H new ATOM 1324 N VAL A 80 -16.836 3.340 -16.509 1.00 0.00 N ATOM 1325 CA VAL A 80 -16.125 2.632 -15.407 1.00 0.00 C ATOM 1326 C VAL A 80 -16.813 1.292 -15.136 1.00 0.00 C ATOM 1327 O VAL A 80 -17.937 1.071 -15.541 1.00 0.00 O ATOM 1328 CB VAL A 80 -16.162 3.489 -14.141 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -15.198 2.911 -13.103 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -15.742 4.920 -14.483 1.00 0.00 C ATOM 0 HA VAL A 80 -15.089 2.458 -15.696 1.00 0.00 H new ATOM 0 HB VAL A 80 -17.173 3.492 -13.735 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -15.225 3.522 -12.201 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.495 1.891 -12.859 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.186 2.907 -13.508 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.768 5.532 -13.581 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -14.731 4.915 -14.889 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.428 5.334 -15.222 1.00 0.00 H new ATOM 1340 N GLY A 81 -16.150 0.397 -14.457 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.774 -0.924 -14.168 1.00 0.00 C ATOM 1342 C GLY A 81 -16.525 -1.873 -15.341 1.00 0.00 C ATOM 1343 O GLY A 81 -16.136 -3.011 -15.159 1.00 0.00 O ATOM 0 H GLY A 81 -15.206 0.523 -14.091 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.356 -1.343 -13.252 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.845 -0.804 -14.004 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.749 -1.410 -16.543 1.00 0.00 N ATOM 1348 CA ARG A 82 -16.533 -2.276 -17.738 1.00 0.00 C ATOM 1349 C ARG A 82 -15.254 -3.098 -17.565 1.00 0.00 C ATOM 1350 O ARG A 82 -14.427 -2.812 -16.720 1.00 0.00 O ATOM 1351 CB ARG A 82 -16.406 -1.400 -18.985 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.723 -2.233 -20.227 1.00 0.00 C ATOM 1353 CD ARG A 82 -17.787 -1.520 -21.064 1.00 0.00 C ATOM 1354 NE ARG A 82 -18.662 -2.531 -21.720 1.00 0.00 N ATOM 1355 CZ ARG A 82 -19.721 -2.975 -21.101 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -19.742 -3.024 -19.797 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -20.759 -3.371 -21.786 1.00 0.00 N ATOM 0 H ARG A 82 -17.074 -0.465 -16.748 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.382 -2.952 -17.846 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.088 -0.553 -18.918 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.398 -0.992 -19.055 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.819 -2.381 -20.818 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.078 -3.221 -19.934 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.383 -0.863 -20.431 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.312 -0.891 -21.817 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.433 -2.876 -22.652 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.930 -2.715 -19.262 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.570 -3.371 -19.313 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.742 -3.333 -22.805 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.587 -3.718 -21.302 1.00 0.00 H new ATOM 1371 N VAL A 83 -15.081 -4.113 -18.364 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.857 -4.952 -18.252 1.00 0.00 C ATOM 1373 C VAL A 83 -12.844 -4.508 -19.308 1.00 0.00 C ATOM 1374 O VAL A 83 -13.204 -3.981 -20.343 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.221 -6.422 -18.478 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -15.443 -6.783 -17.632 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -14.544 -6.644 -19.958 1.00 0.00 C ATOM 0 H VAL A 83 -15.737 -4.398 -19.092 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.424 -4.837 -17.258 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.380 -7.052 -18.188 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.701 -7.830 -17.794 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -15.216 -6.624 -16.578 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -16.284 -6.153 -17.921 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.803 -7.690 -20.121 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.385 -6.013 -20.246 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.674 -6.388 -20.563 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.581 -4.708 -19.056 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.550 -4.291 -20.048 1.00 0.00 C ATOM 1389 C ILE A 84 -9.316 -5.184 -19.915 1.00 0.00 C ATOM 1390 O ILE A 84 -9.227 -6.013 -19.030 1.00 0.00 O ATOM 1391 CB ILE A 84 -10.153 -2.834 -19.790 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -9.282 -2.750 -18.531 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.412 -1.983 -19.601 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -10.005 -3.403 -17.351 1.00 0.00 C ATOM 0 H ILE A 84 -11.218 -5.142 -18.207 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.959 -4.386 -21.054 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.588 -2.459 -20.644 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.328 -3.248 -18.705 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -9.060 -1.708 -18.301 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.127 -0.947 -19.418 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -12.026 -2.037 -20.500 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.981 -2.359 -18.750 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.380 -3.339 -16.461 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.947 -2.886 -17.170 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.204 -4.450 -17.580 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.360 -5.019 -20.788 1.00 0.00 N ATOM 1407 CA LYS A 85 -7.129 -5.855 -20.713 1.00 0.00 C ATOM 1408 C LYS A 85 -6.016 -5.059 -20.027 1.00 0.00 C ATOM 1409 O LYS A 85 -5.834 -3.884 -20.278 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.683 -6.236 -22.127 1.00 0.00 C ATOM 1411 CG LYS A 85 -7.469 -7.461 -22.598 1.00 0.00 C ATOM 1412 CD LYS A 85 -7.314 -7.612 -24.113 1.00 0.00 C ATOM 1413 CE LYS A 85 -6.311 -8.727 -24.416 1.00 0.00 C ATOM 1414 NZ LYS A 85 -5.666 -8.467 -25.734 1.00 0.00 N ATOM 0 H LYS A 85 -8.378 -4.341 -21.550 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.338 -6.759 -20.142 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.847 -5.401 -22.809 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.614 -6.451 -22.137 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.106 -8.356 -22.093 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.522 -7.353 -22.338 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.278 -7.843 -24.566 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.973 -6.673 -24.550 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.555 -8.775 -23.632 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.817 -9.692 -24.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.984 -9.224 -25.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.393 -8.442 -26.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.171 -7.553 -25.704 1.00 0.00 H new ATOM 1428 N THR A 86 -5.271 -5.690 -19.162 1.00 0.00 N ATOM 1429 CA THR A 86 -4.170 -4.970 -18.461 1.00 0.00 C ATOM 1430 C THR A 86 -3.039 -5.951 -18.147 1.00 0.00 C ATOM 1431 O THR A 86 -3.164 -7.143 -18.355 1.00 0.00 O ATOM 1432 CB THR A 86 -4.701 -4.370 -17.155 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.348 -5.385 -16.400 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.697 -3.253 -17.469 1.00 0.00 C ATOM 0 H THR A 86 -5.377 -6.673 -18.910 1.00 0.00 H new ATOM 0 HA THR A 86 -3.793 -4.172 -19.101 1.00 0.00 H new ATOM 0 HB THR A 86 -3.871 -3.960 -16.580 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.823 -4.979 -15.645 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.073 -2.828 -16.538 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.200 -2.475 -18.048 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.529 -3.659 -18.045 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.935 -5.460 -17.647 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.799 -6.367 -17.319 1.00 0.00 C ATOM 1444 C ARG A 87 -0.732 -6.568 -15.804 1.00 0.00 C ATOM 1445 O ARG A 87 -1.232 -5.766 -15.042 1.00 0.00 O ATOM 1446 CB ARG A 87 0.512 -5.748 -17.812 1.00 0.00 C ATOM 1447 CG ARG A 87 0.249 -4.938 -19.084 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.258 -5.869 -20.187 1.00 0.00 C ATOM 1449 NE ARG A 87 0.680 -7.016 -20.339 1.00 0.00 N ATOM 1450 CZ ARG A 87 1.562 -7.015 -21.300 1.00 0.00 C ATOM 1451 NH1 ARG A 87 1.240 -6.565 -22.482 1.00 0.00 N ATOM 1452 NH2 ARG A 87 2.768 -7.463 -21.078 1.00 0.00 N ATOM 0 H ARG A 87 -1.773 -4.472 -17.452 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.949 -7.329 -17.808 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.936 -5.105 -17.040 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.244 -6.531 -18.012 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.486 -4.158 -18.886 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.163 -4.440 -19.406 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.256 -6.232 -19.941 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.339 -5.325 -21.128 1.00 0.00 H new ATOM 0 HE ARG A 87 0.633 -7.803 -19.691 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.298 -6.214 -22.655 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.930 -6.565 -23.233 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.020 -7.813 -20.154 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.458 -7.463 -21.829 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.118 -7.629 -15.359 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.030 -7.875 -13.892 1.00 0.00 C ATOM 1468 C VAL A 88 1.313 -7.370 -13.375 1.00 0.00 C ATOM 1469 O VAL A 88 2.353 -7.644 -13.941 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.148 -9.376 -13.618 1.00 0.00 C ATOM 1471 CG1 VAL A 88 0.181 -9.656 -12.149 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.576 -9.836 -13.915 1.00 0.00 C ATOM 0 H VAL A 88 0.326 -8.335 -15.946 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.839 -7.349 -13.385 1.00 0.00 H new ATOM 0 HB VAL A 88 0.551 -9.917 -14.256 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.097 -10.725 -11.955 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.198 -9.327 -11.935 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.517 -9.115 -11.510 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.662 -10.905 -13.720 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.273 -9.294 -13.276 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.812 -9.637 -14.960 1.00 0.00 H new ATOM 1482 N VAL A 89 1.300 -6.621 -12.306 1.00 0.00 N ATOM 1483 CA VAL A 89 2.576 -6.087 -11.763 1.00 0.00 C ATOM 1484 C VAL A 89 3.137 -7.042 -10.704 1.00 0.00 C ATOM 1485 O VAL A 89 4.333 -7.151 -10.528 1.00 0.00 O ATOM 1486 CB VAL A 89 2.333 -4.716 -11.132 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.666 -4.125 -10.670 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.696 -3.786 -12.167 1.00 0.00 C ATOM 0 H VAL A 89 0.462 -6.358 -11.788 1.00 0.00 H new ATOM 0 HA VAL A 89 3.294 -5.992 -12.577 1.00 0.00 H new ATOM 0 HB VAL A 89 1.666 -4.822 -10.277 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.494 -3.147 -10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.123 -4.788 -9.935 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.333 -4.018 -11.526 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.522 -2.808 -11.719 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.365 -3.680 -13.021 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.747 -4.207 -12.499 1.00 0.00 H new ATOM 1498 N ARG A 90 2.285 -7.732 -9.996 1.00 0.00 N ATOM 1499 CA ARG A 90 2.779 -8.671 -8.951 1.00 0.00 C ATOM 1500 C ARG A 90 1.627 -9.055 -8.021 1.00 0.00 C ATOM 1501 O ARG A 90 1.178 -8.267 -7.213 1.00 0.00 O ATOM 1502 CB ARG A 90 3.882 -7.993 -8.137 1.00 0.00 C ATOM 1503 CG ARG A 90 5.220 -8.682 -8.413 1.00 0.00 C ATOM 1504 CD ARG A 90 6.040 -8.742 -7.122 1.00 0.00 C ATOM 1505 NE ARG A 90 7.411 -8.215 -7.379 1.00 0.00 N ATOM 1506 CZ ARG A 90 8.203 -7.942 -6.377 1.00 0.00 C ATOM 1507 NH1 ARG A 90 7.719 -7.414 -5.287 1.00 0.00 N ATOM 1508 NH2 ARG A 90 9.479 -8.196 -6.469 1.00 0.00 N ATOM 0 H ARG A 90 1.271 -7.686 -10.096 1.00 0.00 H new ATOM 0 HA ARG A 90 3.175 -9.567 -9.429 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.944 -6.937 -8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.647 -8.044 -7.074 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.051 -9.688 -8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.770 -8.137 -9.181 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.554 -8.156 -6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.095 -9.769 -6.761 1.00 0.00 H new ATOM 0 HE ARG A 90 7.730 -8.068 -8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.721 -7.214 -5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.338 -7.201 -4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.857 -8.607 -7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.099 -7.983 -5.687 1.00 0.00 H new ATOM 1522 N ALA A 91 1.144 -10.262 -8.129 1.00 0.00 N ATOM 1523 CA ALA A 91 0.023 -10.698 -7.250 1.00 0.00 C ATOM 1524 C ALA A 91 0.585 -11.192 -5.915 1.00 0.00 C ATOM 1525 O ALA A 91 1.328 -12.152 -5.861 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.750 -11.831 -7.930 1.00 0.00 C ATOM 0 H ALA A 91 1.477 -10.965 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.648 -9.857 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.570 -12.149 -7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.151 -11.479 -8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.081 -12.673 -8.108 1.00 0.00 H new ATOM 1532 N ASP A 92 0.236 -10.543 -4.838 1.00 0.00 N ATOM 1533 CA ASP A 92 0.752 -10.974 -3.508 1.00 0.00 C ATOM 1534 C ASP A 92 -0.392 -11.565 -2.681 1.00 0.00 C ATOM 1535 O ASP A 92 -0.377 -11.524 -1.466 1.00 0.00 O ATOM 1536 CB ASP A 92 1.339 -9.767 -2.774 1.00 0.00 C ATOM 1537 CG ASP A 92 2.023 -10.235 -1.489 1.00 0.00 C ATOM 1538 OD1 ASP A 92 2.037 -11.431 -1.251 1.00 0.00 O ATOM 1539 OD2 ASP A 92 2.520 -9.389 -0.763 1.00 0.00 O ATOM 0 H ASP A 92 -0.384 -9.733 -4.822 1.00 0.00 H new ATOM 0 HA ASP A 92 1.526 -11.729 -3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.056 -9.252 -3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.551 -9.052 -2.539 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.382 -12.117 -3.326 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.522 -12.711 -2.572 1.00 0.00 C ATOM 1546 C GLY A 93 -3.774 -11.855 -2.775 1.00 0.00 C ATOM 1547 O GLY A 93 -3.967 -11.254 -3.812 1.00 0.00 O ATOM 0 H GLY A 93 -1.451 -12.183 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.706 -13.729 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.278 -12.770 -1.511 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.629 -11.799 -1.790 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.870 -10.984 -1.924 1.00 0.00 C ATOM 1553 C LEU A 94 -5.524 -9.621 -2.525 1.00 0.00 C ATOM 1554 O LEU A 94 -6.313 -9.025 -3.230 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.502 -10.788 -0.545 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.216 -12.073 -0.122 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -6.652 -12.552 1.217 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.714 -11.799 0.024 1.00 0.00 C ATOM 0 H LEU A 94 -4.522 -12.282 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.574 -11.500 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.735 -10.529 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.209 -9.959 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.059 -12.842 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.160 -13.468 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.585 -12.747 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.809 -11.783 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.224 -12.714 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.871 -11.030 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.116 -11.457 -0.930 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.348 -9.125 -2.253 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.951 -7.800 -2.810 1.00 0.00 C ATOM 1572 C TYR A 95 -2.999 -8.011 -3.990 1.00 0.00 C ATOM 1573 O TYR A 95 -2.086 -8.811 -3.927 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.252 -6.978 -1.726 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.270 -6.120 -1.013 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -4.629 -4.875 -1.545 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.858 -6.571 0.176 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -5.576 -4.078 -0.885 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.804 -5.776 0.835 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.163 -4.529 0.304 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.096 -3.746 0.954 1.00 0.00 O ATOM 0 H TYR A 95 -3.645 -9.579 -1.670 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.838 -7.266 -3.150 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.756 -7.639 -1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.479 -6.351 -2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.177 -4.529 -2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.582 -7.532 0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.852 -3.117 -1.293 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.257 -6.123 1.752 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.404 -4.207 1.762 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.209 -7.307 -5.068 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.321 -7.475 -6.253 1.00 0.00 C ATOM 1593 C VAL A 96 -2.086 -6.117 -6.918 1.00 0.00 C ATOM 1594 O VAL A 96 -2.910 -5.226 -6.844 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.993 -8.419 -7.254 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -2.067 -8.646 -8.449 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -3.286 -9.758 -6.574 1.00 0.00 C ATOM 0 H VAL A 96 -3.957 -6.623 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.365 -7.891 -5.935 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.926 -7.974 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.548 -9.318 -9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.860 -7.693 -8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.132 -9.089 -8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.764 -10.431 -7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.353 -10.201 -6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.950 -9.597 -5.724 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.971 -5.954 -7.577 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.691 -4.656 -8.254 1.00 0.00 C ATOM 1609 C ASP A 97 -1.057 -4.785 -9.731 1.00 0.00 C ATOM 1610 O ASP A 97 -0.998 -5.856 -10.302 1.00 0.00 O ATOM 1611 CB ASP A 97 0.795 -4.315 -8.121 1.00 0.00 C ATOM 1612 CG ASP A 97 1.110 -3.963 -6.665 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.502 -3.035 -6.156 1.00 0.00 O ATOM 1614 OD2 ASP A 97 1.954 -4.627 -6.085 1.00 0.00 O ATOM 0 H ASP A 97 -0.243 -6.662 -7.676 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.279 -3.863 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.403 -5.161 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.046 -3.477 -8.771 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.454 -3.711 -10.354 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.842 -3.796 -11.788 1.00 0.00 C ATOM 1621 C LEU A 98 -1.271 -2.614 -12.567 1.00 0.00 C ATOM 1622 O LEU A 98 -1.317 -1.477 -12.129 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.366 -3.779 -11.898 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.837 -5.011 -12.670 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.435 -4.871 -14.139 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.183 -6.264 -12.080 1.00 0.00 C ATOM 0 H LEU A 98 -1.526 -2.784 -9.935 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.444 -4.721 -12.206 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.813 -3.768 -10.904 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.694 -2.872 -12.405 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.921 -5.097 -12.594 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.769 -5.748 -14.693 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.898 -3.978 -14.559 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.351 -4.787 -14.213 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.519 -7.143 -12.630 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.099 -6.179 -12.157 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.465 -6.363 -11.032 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.745 -2.877 -13.732 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.181 -1.780 -14.563 1.00 0.00 C ATOM 1640 C ARG A 99 -0.868 -1.792 -15.929 1.00 0.00 C ATOM 1641 O ARG A 99 -0.730 -2.724 -16.699 1.00 0.00 O ATOM 1642 CB ARG A 99 1.325 -1.993 -14.741 1.00 0.00 C ATOM 1643 CG ARG A 99 1.584 -3.398 -15.287 1.00 0.00 C ATOM 1644 CD ARG A 99 3.062 -3.752 -15.109 1.00 0.00 C ATOM 1645 NE ARG A 99 3.646 -4.127 -16.427 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.942 -4.204 -16.568 1.00 0.00 C ATOM 1647 NH1 ARG A 99 5.677 -3.136 -16.425 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.501 -5.348 -16.855 1.00 0.00 N ATOM 0 H ARG A 99 -0.682 -3.808 -14.144 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.349 -0.820 -14.074 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.730 -1.246 -15.424 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.836 -1.863 -13.787 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.960 -4.123 -14.764 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.312 -3.445 -16.342 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.602 -2.904 -14.688 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.167 -4.577 -14.405 1.00 0.00 H new ATOM 0 HE ARG A 99 3.034 -4.324 -17.219 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.239 -2.242 -16.203 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.689 -3.195 -16.535 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.926 -6.182 -16.969 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.513 -5.408 -16.965 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.611 -0.765 -16.237 1.00 0.00 N ATOM 1663 CA ARG A 100 -2.308 -0.718 -17.552 1.00 0.00 C ATOM 1664 C ARG A 100 -1.324 -1.095 -18.660 1.00 0.00 C ATOM 1665 O ARG A 100 -0.123 -1.015 -18.489 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.839 0.694 -17.802 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.368 0.794 -19.233 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.027 2.157 -19.441 1.00 0.00 C ATOM 1669 NE ARG A 100 -5.505 2.013 -19.335 1.00 0.00 N ATOM 1670 CZ ARG A 100 -6.263 3.075 -19.288 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -6.487 3.766 -20.371 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -6.795 3.446 -18.156 1.00 0.00 N ATOM 0 H ARG A 100 -1.765 0.043 -15.635 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.141 -1.421 -17.547 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.633 0.926 -17.092 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.046 1.425 -17.644 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.552 0.661 -19.943 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.088 -0.002 -19.422 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.665 2.866 -18.696 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.759 2.558 -20.419 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.926 1.084 -19.299 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.070 3.477 -21.256 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.079 4.596 -20.333 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.619 2.907 -17.309 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.387 4.276 -18.118 1.00 0.00 H new