USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 446 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 40 THR OG1 : rot 32:sc= 0.182 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -144:sc= -0.308 (180deg=-0.98) USER MOD Single : A 46 THR OG1 : rot -155:sc= 0.277 USER MOD Single : A 53 SER OG : rot 160:sc= 0 USER MOD Single : A 79 CYS SG : rot -48:sc= -0.156 USER MOD Single : A 81 CYS SG : rot 180:sc= 0.00429 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.6! C(o=-1.6!,f=-2.7!) USER MOD Single : A 93 MET CE :methyl -159:sc= 0 (180deg=-0.175) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 45:sc= -0.471 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 70:sc= 0.174 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.0061 X(o=-0.0061,f=-0.37) USER MOD Single : A 118 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 567 N THR A 40 7.073 1.117 -11.025 1.00 0.00 N ATOM 568 CA THR A 40 5.907 0.241 -11.279 1.00 0.00 C ATOM 569 C THR A 40 5.438 -0.438 -9.971 1.00 0.00 C ATOM 570 O THR A 40 6.125 -1.312 -9.425 1.00 0.00 O ATOM 571 CB THR A 40 6.264 -0.846 -12.351 1.00 0.00 C ATOM 572 OG1 THR A 40 6.827 -0.211 -13.512 1.00 0.00 O ATOM 573 CG2 THR A 40 5.034 -1.692 -12.764 1.00 0.00 C ATOM 0 HA THR A 40 5.094 0.858 -11.660 1.00 0.00 H new ATOM 0 HB THR A 40 6.990 -1.524 -11.902 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.318 0.592 -13.240 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.333 -2.430 -13.508 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.632 -2.202 -11.888 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.269 -1.040 -13.187 1.00 0.00 H new ATOM 581 N VAL A 41 4.270 0.016 -9.458 1.00 0.00 N ATOM 582 CA VAL A 41 3.678 -0.457 -8.183 1.00 0.00 C ATOM 583 C VAL A 41 2.178 -0.811 -8.380 1.00 0.00 C ATOM 584 O VAL A 41 1.348 0.071 -8.649 1.00 0.00 O ATOM 585 CB VAL A 41 3.800 0.634 -7.040 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.326 0.068 -5.670 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.237 1.218 -6.943 1.00 0.00 C ATOM 0 H VAL A 41 3.706 0.728 -9.922 1.00 0.00 H new ATOM 0 HA VAL A 41 4.235 -1.344 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 41 3.139 1.458 -7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.421 0.839 -4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.284 -0.242 -5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.941 -0.790 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.275 1.962 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.942 0.416 -6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.504 1.687 -7.890 1.00 0.00 H new ATOM 597 N CYS A 42 1.838 -2.108 -8.261 1.00 0.00 N ATOM 598 CA CYS A 42 0.429 -2.572 -8.240 1.00 0.00 C ATOM 599 C CYS A 42 0.053 -3.004 -6.804 1.00 0.00 C ATOM 600 O CYS A 42 0.512 -4.040 -6.329 1.00 0.00 O ATOM 601 CB CYS A 42 0.233 -3.744 -9.229 1.00 0.00 C ATOM 602 SG CYS A 42 0.611 -3.323 -10.945 1.00 0.00 S ATOM 0 H CYS A 42 2.521 -2.861 -8.177 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.224 -1.756 -8.550 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.866 -4.576 -8.921 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.799 -4.089 -9.168 1.00 0.00 H new ATOM 0 HG CYS A 42 0.421 -4.365 -11.699 1.00 0.00 H new ATOM 608 N ALA A 43 -0.781 -2.198 -6.132 1.00 0.00 N ATOM 609 CA ALA A 43 -1.189 -2.407 -4.723 1.00 0.00 C ATOM 610 C ALA A 43 -2.645 -1.953 -4.548 1.00 0.00 C ATOM 611 O ALA A 43 -3.116 -1.105 -5.320 1.00 0.00 O ATOM 612 CB ALA A 43 -0.254 -1.645 -3.765 1.00 0.00 C ATOM 0 H ALA A 43 -1.201 -1.369 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.114 -3.467 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.572 -1.813 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.768 -2.003 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.295 -0.579 -3.988 1.00 0.00 H new ATOM 618 N GLU A 44 -3.383 -2.510 -3.569 1.00 0.00 N ATOM 619 CA GLU A 44 -4.775 -2.075 -3.325 1.00 0.00 C ATOM 620 C GLU A 44 -4.957 -1.498 -1.904 1.00 0.00 C ATOM 621 O GLU A 44 -4.909 -2.228 -0.908 1.00 0.00 O ATOM 622 CB GLU A 44 -5.774 -3.229 -3.579 1.00 0.00 C ATOM 623 CG GLU A 44 -7.214 -2.745 -3.777 1.00 0.00 C ATOM 624 CD GLU A 44 -8.180 -3.856 -4.223 1.00 0.00 C ATOM 625 OE1 GLU A 44 -8.658 -4.623 -3.366 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.451 -3.980 -5.436 1.00 0.00 O ATOM 0 H GLU A 44 -3.050 -3.246 -2.946 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.989 -1.275 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.460 -3.786 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.742 -3.921 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.575 -2.314 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.222 -1.948 -4.520 1.00 0.00 H new ATOM 633 N MET A 45 -5.122 -0.169 -1.842 1.00 0.00 N ATOM 634 CA MET A 45 -5.581 0.547 -0.649 1.00 0.00 C ATOM 635 C MET A 45 -7.124 0.528 -0.613 1.00 0.00 C ATOM 636 O MET A 45 -7.770 1.125 -1.475 1.00 0.00 O ATOM 637 CB MET A 45 -5.039 2.002 -0.699 1.00 0.00 C ATOM 638 CG MET A 45 -3.512 2.100 -0.532 1.00 0.00 C ATOM 639 SD MET A 45 -2.969 1.734 1.147 1.00 0.00 S ATOM 640 CE MET A 45 -3.847 2.979 2.086 1.00 0.00 C ATOM 0 H MET A 45 -4.936 0.446 -2.634 1.00 0.00 H new ATOM 0 HA MET A 45 -5.210 0.068 0.257 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.321 2.453 -1.650 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.520 2.586 0.086 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.030 1.409 -1.224 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.185 3.103 -0.804 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.222 3.321 2.911 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.086 3.822 1.438 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.769 2.553 2.482 1.00 0.00 H new ATOM 650 N THR A 46 -7.705 -0.151 0.392 1.00 0.00 N ATOM 651 CA THR A 46 -9.180 -0.322 0.505 1.00 0.00 C ATOM 652 C THR A 46 -9.812 0.925 1.113 1.00 0.00 C ATOM 653 O THR A 46 -9.166 1.608 1.898 1.00 0.00 O ATOM 654 CB THR A 46 -9.565 -1.571 1.383 1.00 0.00 C ATOM 655 OG1 THR A 46 -10.978 -1.601 1.643 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.805 -1.622 2.720 1.00 0.00 C ATOM 0 H THR A 46 -7.180 -0.595 1.145 1.00 0.00 H new ATOM 0 HA THR A 46 -9.560 -0.482 -0.504 1.00 0.00 H new ATOM 0 HB THR A 46 -9.275 -2.446 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.148 -2.100 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.113 -2.505 3.280 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.733 -1.670 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.030 -0.727 3.301 1.00 0.00 H new ATOM 664 N GLU A 47 -11.092 1.197 0.761 1.00 0.00 N ATOM 665 CA GLU A 47 -11.809 2.420 1.199 1.00 0.00 C ATOM 666 C GLU A 47 -11.839 2.544 2.736 1.00 0.00 C ATOM 667 O GLU A 47 -11.781 3.633 3.269 1.00 0.00 O ATOM 668 CB GLU A 47 -13.252 2.438 0.640 1.00 0.00 C ATOM 669 CG GLU A 47 -13.966 3.801 0.775 1.00 0.00 C ATOM 670 CD GLU A 47 -15.435 3.757 0.334 1.00 0.00 C ATOM 671 OE1 GLU A 47 -15.708 3.855 -0.882 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.328 3.608 1.201 1.00 0.00 O ATOM 0 H GLU A 47 -11.652 0.582 0.171 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.262 3.275 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.225 2.157 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.840 1.680 1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.914 4.130 1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.436 4.543 0.178 1.00 0.00 H new ATOM 679 N GLU A 48 -11.909 1.394 3.413 1.00 0.00 N ATOM 680 CA GLU A 48 -11.840 1.292 4.892 1.00 0.00 C ATOM 681 C GLU A 48 -10.606 2.065 5.448 1.00 0.00 C ATOM 682 O GLU A 48 -10.724 2.965 6.282 1.00 0.00 O ATOM 683 CB GLU A 48 -11.750 -0.215 5.273 1.00 0.00 C ATOM 684 CG GLU A 48 -12.825 -1.106 4.613 1.00 0.00 C ATOM 685 CD GLU A 48 -12.589 -2.609 4.823 1.00 0.00 C ATOM 686 OE1 GLU A 48 -11.629 -3.152 4.235 1.00 0.00 O ATOM 687 OE2 GLU A 48 -13.358 -3.257 5.563 1.00 0.00 O ATOM 0 H GLU A 48 -12.017 0.490 2.953 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.732 1.740 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.765 -0.589 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.833 -0.309 6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.803 -0.840 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.853 -0.897 3.544 1.00 0.00 H new ATOM 694 N PHE A 49 -9.433 1.696 4.930 1.00 0.00 N ATOM 695 CA PHE A 49 -8.126 2.289 5.297 1.00 0.00 C ATOM 696 C PHE A 49 -7.852 3.649 4.595 1.00 0.00 C ATOM 697 O PHE A 49 -7.131 4.498 5.128 1.00 0.00 O ATOM 698 CB PHE A 49 -7.008 1.250 4.992 1.00 0.00 C ATOM 699 CG PHE A 49 -7.008 0.053 5.959 1.00 0.00 C ATOM 700 CD1 PHE A 49 -8.075 -0.844 5.994 1.00 0.00 C ATOM 701 CD2 PHE A 49 -5.962 -0.159 6.847 1.00 0.00 C ATOM 702 CE1 PHE A 49 -8.091 -1.908 6.870 1.00 0.00 C ATOM 703 CE2 PHE A 49 -5.981 -1.228 7.729 1.00 0.00 C ATOM 704 CZ PHE A 49 -7.045 -2.098 7.740 1.00 0.00 C ATOM 0 H PHE A 49 -9.353 0.961 4.227 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.141 2.519 6.362 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.130 0.884 3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.038 1.746 5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -8.907 -0.702 5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.121 0.519 6.851 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.926 -2.593 6.872 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.157 -1.378 8.410 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.059 -2.928 8.430 1.00 0.00 H new ATOM 714 N LEU A 50 -8.408 3.840 3.384 1.00 0.00 N ATOM 715 CA LEU A 50 -8.125 5.006 2.544 1.00 0.00 C ATOM 716 C LEU A 50 -8.986 6.236 2.950 1.00 0.00 C ATOM 717 O LEU A 50 -8.606 7.371 2.665 1.00 0.00 O ATOM 718 CB LEU A 50 -8.306 4.632 1.045 1.00 0.00 C ATOM 719 CG LEU A 50 -7.675 5.636 0.037 1.00 0.00 C ATOM 720 CD1 LEU A 50 -6.156 5.769 0.245 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.003 5.281 -1.430 1.00 0.00 C ATOM 0 H LEU A 50 -9.067 3.185 2.964 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.087 5.301 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.869 3.648 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.372 4.548 0.833 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.129 6.605 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.751 6.478 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.957 6.126 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.683 4.797 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.540 6.011 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.618 4.287 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.083 5.293 -1.575 1.00 0.00 H new ATOM 733 N LEU A 51 -10.164 6.005 3.588 1.00 0.00 N ATOM 734 CA LEU A 51 -10.992 7.097 4.183 1.00 0.00 C ATOM 735 C LEU A 51 -10.235 7.778 5.355 1.00 0.00 C ATOM 736 O LEU A 51 -10.364 8.983 5.563 1.00 0.00 O ATOM 737 CB LEU A 51 -12.391 6.578 4.653 1.00 0.00 C ATOM 738 CG LEU A 51 -13.420 6.205 3.535 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.748 5.682 4.131 1.00 0.00 C ATOM 740 CD2 LEU A 51 -13.673 7.386 2.581 1.00 0.00 C ATOM 0 H LEU A 51 -10.564 5.074 3.705 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.167 7.838 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.234 5.698 5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.841 7.342 5.287 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.977 5.396 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.436 5.434 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.553 4.791 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.192 6.452 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.393 7.090 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.069 8.231 3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.737 7.675 2.104 1.00 0.00 H new ATOM 752 N PHE A 52 -9.436 6.985 6.103 1.00 0.00 N ATOM 753 CA PHE A 52 -8.472 7.515 7.104 1.00 0.00 C ATOM 754 C PHE A 52 -7.453 8.484 6.435 1.00 0.00 C ATOM 755 O PHE A 52 -7.175 9.567 6.957 1.00 0.00 O ATOM 756 CB PHE A 52 -7.747 6.330 7.811 1.00 0.00 C ATOM 757 CG PHE A 52 -6.585 6.727 8.731 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.800 7.521 9.859 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.274 6.315 8.457 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.747 7.892 10.678 1.00 0.00 C ATOM 761 CE2 PHE A 52 -4.225 6.685 9.280 1.00 0.00 C ATOM 762 CZ PHE A 52 -4.462 7.475 10.388 1.00 0.00 C ATOM 0 H PHE A 52 -9.437 5.967 6.034 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.017 8.087 7.855 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.480 5.775 8.397 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.368 5.650 7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.801 7.850 10.096 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.080 5.700 7.591 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.930 8.509 11.545 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.221 6.356 9.056 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.642 7.767 11.028 1.00 0.00 H new ATOM 772 N SER A 53 -6.927 8.081 5.262 1.00 0.00 N ATOM 773 CA SER A 53 -6.014 8.928 4.443 1.00 0.00 C ATOM 774 C SER A 53 -6.755 10.147 3.829 1.00 0.00 C ATOM 775 O SER A 53 -6.152 11.203 3.619 1.00 0.00 O ATOM 776 CB SER A 53 -5.358 8.086 3.321 1.00 0.00 C ATOM 777 OG SER A 53 -4.579 7.019 3.853 1.00 0.00 O ATOM 0 H SER A 53 -7.116 7.167 4.851 1.00 0.00 H new ATOM 0 HA SER A 53 -5.238 9.309 5.107 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.132 7.682 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.726 8.727 2.706 1.00 0.00 H new ATOM 0 HG SER A 53 -4.448 6.335 3.164 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.549 4.107 -4.325 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.592 3.342 -3.065 1.00 0.00 C ATOM 1111 C ALA A 74 -11.032 1.867 -3.270 1.00 0.00 C ATOM 1112 O ALA A 74 -12.207 1.581 -3.529 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.498 4.059 -2.062 1.00 0.00 C ATOM 0 HA ALA A 74 -9.578 3.297 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.529 3.493 -1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.106 5.057 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.505 4.138 -2.473 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.056 0.952 -3.151 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.259 -0.475 -3.418 1.00 0.00 C ATOM 1121 C GLY A 75 -10.164 -0.797 -4.912 1.00 0.00 C ATOM 1122 O GLY A 75 -11.112 -1.321 -5.511 1.00 0.00 O ATOM 0 H GLY A 75 -9.104 1.185 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.514 -1.055 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.236 -0.779 -3.043 1.00 0.00 H new ATOM 1126 N ASP A 76 -9.011 -0.441 -5.515 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.704 -0.729 -6.932 1.00 0.00 C ATOM 1128 C ASP A 76 -7.180 -0.981 -7.118 1.00 0.00 C ATOM 1129 O ASP A 76 -6.371 -0.052 -7.024 1.00 0.00 O ATOM 1130 CB ASP A 76 -9.197 0.444 -7.822 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.183 0.145 -9.331 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -9.500 -0.999 -9.728 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -8.913 1.062 -10.129 1.00 0.00 O ATOM 0 H ASP A 76 -8.263 0.056 -5.031 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.226 -1.635 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.212 0.707 -7.525 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.572 1.317 -7.631 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.806 -2.258 -7.346 1.00 0.00 N ATOM 1139 CA ARG A 77 -5.390 -2.680 -7.474 1.00 0.00 C ATOM 1140 C ARG A 77 -4.825 -2.367 -8.888 1.00 0.00 C ATOM 1141 O ARG A 77 -4.894 -3.194 -9.807 1.00 0.00 O ATOM 1142 CB ARG A 77 -5.262 -4.202 -7.099 1.00 0.00 C ATOM 1143 CG ARG A 77 -6.197 -5.158 -7.887 1.00 0.00 C ATOM 1144 CD ARG A 77 -6.295 -6.566 -7.266 1.00 0.00 C ATOM 1145 NE ARG A 77 -6.980 -6.544 -5.952 1.00 0.00 N ATOM 1146 CZ ARG A 77 -7.759 -7.497 -5.473 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -7.993 -8.581 -6.142 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -8.323 -7.344 -4.322 1.00 0.00 N ATOM 0 H ARG A 77 -7.472 -3.024 -7.447 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.781 -2.105 -6.776 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.230 -4.514 -7.261 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.466 -4.316 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.194 -4.720 -7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.836 -5.245 -8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.834 -7.226 -7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.294 -6.981 -7.147 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.837 -5.721 -5.366 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.572 -8.714 -7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.598 -9.302 -5.749 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.166 -6.490 -3.787 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.925 -8.077 -3.948 1.00 0.00 H new ATOM 1162 N TRP A 78 -4.251 -1.150 -9.041 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.712 -0.664 -10.341 1.00 0.00 C ATOM 1164 C TRP A 78 -3.079 0.739 -10.183 1.00 0.00 C ATOM 1165 O TRP A 78 -3.766 1.670 -9.758 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.841 -0.598 -11.426 1.00 0.00 C ATOM 1167 CG TRP A 78 -4.330 -0.603 -12.850 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -4.153 0.469 -13.687 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -3.936 -1.762 -13.597 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -3.668 0.041 -14.899 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -3.532 -1.324 -14.870 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -3.883 -3.131 -13.303 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -3.075 -2.203 -15.851 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -3.441 -4.004 -14.276 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -3.042 -3.538 -15.538 1.00 0.00 C ATOM 0 H TRP A 78 -4.147 -0.481 -8.278 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.947 -1.371 -10.662 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.512 -1.446 -11.289 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.431 0.304 -11.266 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.364 1.497 -13.431 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -3.445 0.641 -15.693 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -4.183 -3.496 -12.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -2.759 -1.846 -16.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -3.402 -5.062 -14.063 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -2.701 -4.246 -16.279 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.774 0.865 -10.532 1.00 0.00 N ATOM 1187 CA CYS A 79 -1.031 2.162 -10.548 1.00 0.00 C ATOM 1188 C CYS A 79 -1.158 2.930 -9.200 1.00 0.00 C ATOM 1189 O CYS A 79 -1.565 4.098 -9.157 1.00 0.00 O ATOM 1190 CB CYS A 79 -1.497 3.034 -11.751 1.00 0.00 C ATOM 1191 SG CYS A 79 -0.593 4.593 -11.958 1.00 0.00 S ATOM 0 H CYS A 79 -1.200 0.070 -10.812 1.00 0.00 H new ATOM 0 HA CYS A 79 0.028 1.938 -10.674 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.398 2.449 -12.665 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.557 3.258 -11.630 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.521 5.208 -10.815 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.814 2.234 -8.112 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.947 2.751 -6.730 1.00 0.00 C ATOM 1199 C LEU A 80 0.379 3.414 -6.294 1.00 0.00 C ATOM 1200 O LEU A 80 1.435 2.783 -6.361 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.361 1.564 -5.786 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.768 1.862 -4.284 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.559 2.083 -3.348 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.775 3.024 -4.192 1.00 0.00 C ATOM 0 H LEU A 80 -0.432 1.289 -8.157 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.722 3.515 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.201 1.052 -6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.530 0.859 -5.765 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.260 0.958 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.913 2.282 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.066 1.190 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.024 2.933 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.032 3.201 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.330 3.925 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.676 2.769 -4.749 1.00 0.00 H new ATOM 1216 N CYS A 81 0.312 4.699 -5.875 1.00 0.00 N ATOM 1217 CA CYS A 81 1.473 5.424 -5.299 1.00 0.00 C ATOM 1218 C CYS A 81 1.983 4.688 -4.035 1.00 0.00 C ATOM 1219 O CYS A 81 1.276 4.650 -3.032 1.00 0.00 O ATOM 1220 CB CYS A 81 1.067 6.876 -4.936 1.00 0.00 C ATOM 1221 SG CYS A 81 0.387 7.830 -6.315 1.00 0.00 S ATOM 0 H CYS A 81 -0.539 5.260 -5.925 1.00 0.00 H new ATOM 0 HA CYS A 81 2.272 5.454 -6.040 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.330 6.844 -4.134 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.941 7.398 -4.545 1.00 0.00 H new ATOM 0 HG CYS A 81 0.079 9.025 -5.906 1.00 0.00 H new ATOM 1227 N ALA A 82 3.194 4.096 -4.093 1.00 0.00 N ATOM 1228 CA ALA A 82 3.716 3.200 -3.021 1.00 0.00 C ATOM 1229 C ALA A 82 3.777 3.874 -1.623 1.00 0.00 C ATOM 1230 O ALA A 82 3.671 3.196 -0.603 1.00 0.00 O ATOM 1231 CB ALA A 82 5.091 2.665 -3.410 1.00 0.00 C ATOM 0 H ALA A 82 3.838 4.219 -4.874 1.00 0.00 H new ATOM 0 HA ALA A 82 3.006 2.378 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.464 2.012 -2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.013 2.102 -4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.780 3.498 -3.547 1.00 0.00 H new ATOM 1237 N SER A 83 3.924 5.213 -1.605 1.00 0.00 N ATOM 1238 CA SER A 83 3.930 6.018 -0.357 1.00 0.00 C ATOM 1239 C SER A 83 2.537 6.067 0.316 1.00 0.00 C ATOM 1240 O SER A 83 2.447 6.238 1.528 1.00 0.00 O ATOM 1241 CB SER A 83 4.437 7.449 -0.634 1.00 0.00 C ATOM 1242 OG SER A 83 5.750 7.433 -1.162 1.00 0.00 O ATOM 0 H SER A 83 4.042 5.771 -2.451 1.00 0.00 H new ATOM 0 HA SER A 83 4.611 5.524 0.336 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.766 7.946 -1.335 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.420 8.029 0.289 1.00 0.00 H new ATOM 0 HG SER A 83 6.046 8.352 -1.330 1.00 0.00 H new ATOM 1248 N ARG A 84 1.466 5.956 -0.497 1.00 0.00 N ATOM 1249 CA ARG A 84 0.060 5.894 -0.011 1.00 0.00 C ATOM 1250 C ARG A 84 -0.173 4.649 0.884 1.00 0.00 C ATOM 1251 O ARG A 84 -0.787 4.735 1.957 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.917 5.877 -1.221 1.00 0.00 C ATOM 1253 CG ARG A 84 -2.433 5.937 -0.891 1.00 0.00 C ATOM 1254 CD ARG A 84 -2.880 7.278 -0.249 1.00 0.00 C ATOM 1255 NE ARG A 84 -2.575 7.354 1.199 1.00 0.00 N ATOM 1256 CZ ARG A 84 -1.830 8.273 1.779 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -1.203 9.170 1.079 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -1.700 8.274 3.061 1.00 0.00 N ATOM 0 H ARG A 84 1.546 5.906 -1.513 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.130 6.780 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.675 6.722 -1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.729 4.971 -1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.002 5.776 -1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.681 5.120 -0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.387 8.103 -0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.952 7.406 -0.396 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.976 6.633 1.798 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.283 9.171 0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.631 9.873 1.546 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.173 7.565 3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.124 8.983 3.515 1.00 0.00 H new ATOM 1272 N TRP A 85 0.340 3.502 0.412 1.00 0.00 N ATOM 1273 CA TRP A 85 0.325 2.225 1.163 1.00 0.00 C ATOM 1274 C TRP A 85 1.313 2.283 2.362 1.00 0.00 C ATOM 1275 O TRP A 85 0.959 1.917 3.494 1.00 0.00 O ATOM 1276 CB TRP A 85 0.613 1.029 0.172 1.00 0.00 C ATOM 1277 CG TRP A 85 1.479 -0.085 0.726 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.751 -0.385 0.346 1.00 0.00 C ATOM 1279 CD2 TRP A 85 1.156 -1.000 1.788 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.239 -1.406 1.112 1.00 0.00 N ATOM 1281 CE2 TRP A 85 2.283 -1.801 2.001 1.00 0.00 C ATOM 1282 CE3 TRP A 85 0.030 -1.209 2.581 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 2.320 -2.794 2.974 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 0.065 -2.198 3.540 1.00 0.00 C ATOM 1285 CH2 TRP A 85 1.206 -2.977 3.737 1.00 0.00 C ATOM 0 H TRP A 85 0.780 3.428 -0.505 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.661 2.056 1.595 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -0.340 0.603 -0.142 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.093 1.428 -0.721 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.295 0.111 -0.445 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.172 -1.810 1.032 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.856 -0.606 2.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 3.202 -3.400 3.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -0.808 -2.374 4.151 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.206 -3.736 4.505 1.00 0.00 H new ATOM 1296 N GLN A 86 2.549 2.748 2.085 1.00 0.00 N ATOM 1297 CA GLN A 86 3.651 2.825 3.077 1.00 0.00 C ATOM 1298 C GLN A 86 3.244 3.652 4.320 1.00 0.00 C ATOM 1299 O GLN A 86 3.504 3.243 5.450 1.00 0.00 O ATOM 1300 CB GLN A 86 4.932 3.421 2.416 1.00 0.00 C ATOM 1301 CG GLN A 86 6.152 3.601 3.357 1.00 0.00 C ATOM 1302 CD GLN A 86 6.673 2.299 3.973 1.00 0.00 C ATOM 1303 OE1 GLN A 86 7.548 1.642 3.432 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.128 1.919 5.113 1.00 0.00 N ATOM 0 H GLN A 86 2.816 3.084 1.160 1.00 0.00 H new ATOM 0 HA GLN A 86 3.867 1.812 3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.226 2.775 1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.680 4.391 1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.960 4.073 2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.878 4.285 4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.398 2.487 5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.436 1.057 5.563 1.00 0.00 H new ATOM 1313 N GLU A 87 2.567 4.788 4.084 1.00 0.00 N ATOM 1314 CA GLU A 87 2.071 5.688 5.153 1.00 0.00 C ATOM 1315 C GLU A 87 1.175 4.932 6.163 1.00 0.00 C ATOM 1316 O GLU A 87 1.345 5.052 7.383 1.00 0.00 O ATOM 1317 CB GLU A 87 1.275 6.863 4.521 1.00 0.00 C ATOM 1318 CG GLU A 87 0.785 7.937 5.520 1.00 0.00 C ATOM 1319 CD GLU A 87 1.923 8.808 6.108 1.00 0.00 C ATOM 1320 OE1 GLU A 87 2.606 8.364 7.057 1.00 0.00 O ATOM 1321 OE2 GLU A 87 2.125 9.944 5.623 1.00 0.00 O ATOM 0 H GLU A 87 2.344 5.115 3.144 1.00 0.00 H new ATOM 0 HA GLU A 87 2.934 6.075 5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.903 7.345 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.411 6.455 3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.066 8.585 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.256 7.446 6.337 1.00 0.00 H new ATOM 1328 N ALA A 88 0.253 4.115 5.625 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.661 3.289 6.437 1.00 0.00 C ATOM 1330 C ALA A 88 0.117 2.263 7.299 1.00 0.00 C ATOM 1331 O ALA A 88 -0.243 2.015 8.451 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.672 2.585 5.526 1.00 0.00 C ATOM 0 H ALA A 88 0.120 4.008 4.619 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.199 3.944 7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.344 1.976 6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.250 3.330 4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.142 1.947 4.819 1.00 0.00 H new ATOM 1338 N PHE A 89 1.204 1.690 6.738 1.00 0.00 N ATOM 1339 CA PHE A 89 2.054 0.721 7.464 1.00 0.00 C ATOM 1340 C PHE A 89 2.902 1.416 8.569 1.00 0.00 C ATOM 1341 O PHE A 89 3.148 0.828 9.627 1.00 0.00 O ATOM 1342 CB PHE A 89 2.964 -0.072 6.487 1.00 0.00 C ATOM 1343 CG PHE A 89 3.676 -1.252 7.156 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.041 -2.490 7.285 1.00 0.00 C ATOM 1345 CD2 PHE A 89 4.956 -1.118 7.697 1.00 0.00 C ATOM 1346 CE1 PHE A 89 3.664 -3.543 7.919 1.00 0.00 C ATOM 1347 CE2 PHE A 89 5.576 -2.174 8.337 1.00 0.00 C ATOM 1348 CZ PHE A 89 4.930 -3.385 8.447 1.00 0.00 C ATOM 0 H PHE A 89 1.513 1.882 5.785 1.00 0.00 H new ATOM 0 HA PHE A 89 1.387 0.013 7.956 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.362 -0.442 5.657 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.709 0.602 6.065 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.048 -2.623 6.882 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.471 -0.172 7.614 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.161 -4.495 8.003 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.566 -2.050 8.750 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.414 -4.211 8.946 1.00 0.00 H new ATOM 1358 N GLU A 90 3.339 2.666 8.316 1.00 0.00 N ATOM 1359 CA GLU A 90 4.139 3.464 9.289 1.00 0.00 C ATOM 1360 C GLU A 90 3.291 3.892 10.517 1.00 0.00 C ATOM 1361 O GLU A 90 3.833 4.148 11.597 1.00 0.00 O ATOM 1362 CB GLU A 90 4.779 4.691 8.575 1.00 0.00 C ATOM 1363 CG GLU A 90 5.763 4.302 7.453 1.00 0.00 C ATOM 1364 CD GLU A 90 6.329 5.495 6.655 1.00 0.00 C ATOM 1365 OE1 GLU A 90 5.530 6.312 6.144 1.00 0.00 O ATOM 1366 OE2 GLU A 90 7.571 5.589 6.487 1.00 0.00 O ATOM 0 H GLU A 90 3.153 3.155 7.440 1.00 0.00 H new ATOM 0 HA GLU A 90 4.941 2.833 9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.987 5.311 8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.303 5.299 9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.593 3.748 7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.258 3.626 6.763 1.00 0.00 H new ATOM 1373 N ALA A 91 1.954 3.939 10.340 1.00 0.00 N ATOM 1374 CA ALA A 91 0.982 4.131 11.453 1.00 0.00 C ATOM 1375 C ALA A 91 0.707 2.808 12.220 1.00 0.00 C ATOM 1376 O ALA A 91 0.088 2.821 13.292 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.339 4.695 10.900 1.00 0.00 C ATOM 0 H ALA A 91 1.512 3.846 9.426 1.00 0.00 H new ATOM 0 HA ALA A 91 1.422 4.837 12.157 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.046 4.833 11.718 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.151 5.654 10.416 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.756 3.998 10.174 1.00 0.00 H new ATOM 1383 N GLY A 92 1.170 1.673 11.650 1.00 0.00 N ATOM 1384 CA GLY A 92 0.875 0.332 12.193 1.00 0.00 C ATOM 1385 C GLY A 92 -0.503 -0.199 11.766 1.00 0.00 C ATOM 1386 O GLY A 92 -0.961 -1.235 12.256 1.00 0.00 O ATOM 0 H GLY A 92 1.751 1.662 10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.645 -0.365 11.863 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.923 0.368 13.281 1.00 0.00 H new ATOM 1390 N MET A 93 -1.152 0.523 10.834 1.00 0.00 N ATOM 1391 CA MET A 93 -2.525 0.242 10.371 1.00 0.00 C ATOM 1392 C MET A 93 -2.495 -0.772 9.184 1.00 0.00 C ATOM 1393 O MET A 93 -2.758 -1.957 9.386 1.00 0.00 O ATOM 1394 CB MET A 93 -3.189 1.601 9.997 1.00 0.00 C ATOM 1395 CG MET A 93 -4.691 1.546 9.719 1.00 0.00 C ATOM 1396 SD MET A 93 -5.391 3.172 9.359 1.00 0.00 S ATOM 1397 CE MET A 93 -7.132 2.785 9.155 1.00 0.00 C ATOM 0 H MET A 93 -0.731 1.330 10.374 1.00 0.00 H new ATOM 0 HA MET A 93 -3.121 -0.229 11.153 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.013 2.307 10.809 1.00 0.00 H new ATOM 0 HB3 MET A 93 -2.688 1.999 9.114 1.00 0.00 H new ATOM 0 HG2 MET A 93 -4.877 0.880 8.876 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.201 1.118 10.582 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.616 3.576 8.581 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.235 1.838 8.626 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.604 2.706 10.134 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.156 -0.278 7.964 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.801 -1.107 6.769 1.00 0.00 C ATOM 1409 C ALA A 94 -2.929 -2.059 6.239 1.00 0.00 C ATOM 1410 O ALA A 94 -3.320 -3.007 6.927 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.519 -1.905 7.046 1.00 0.00 C ATOM 0 H ALA A 94 -2.120 0.724 7.775 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.649 -0.387 5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.268 -2.505 6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.299 -1.217 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.676 -2.560 7.903 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.469 -1.822 4.994 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.416 -2.773 4.324 1.00 0.00 C ATOM 1419 C PRO A 95 -3.706 -4.056 3.758 1.00 0.00 C ATOM 1420 O PRO A 95 -2.470 -4.136 3.769 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.004 -1.896 3.182 1.00 0.00 C ATOM 1422 CG PRO A 95 -3.894 -0.959 2.834 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.242 -0.608 4.157 1.00 0.00 C ATOM 0 HA PRO A 95 -5.162 -3.177 5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.298 -2.502 2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.893 -1.357 3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.181 -1.428 2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.273 -0.068 2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.179 -0.397 4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.694 0.277 4.604 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.482 -5.095 3.276 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.888 -6.262 2.566 1.00 0.00 C ATOM 1433 C PRO A 96 -3.330 -5.865 1.170 1.00 0.00 C ATOM 1434 O PRO A 96 -4.086 -5.507 0.254 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.077 -7.257 2.456 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.300 -6.391 2.487 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.964 -5.237 3.406 1.00 0.00 C ATOM 0 HA PRO A 96 -3.031 -6.686 3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.025 -7.836 1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.075 -7.970 3.281 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.553 -6.035 1.488 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.163 -6.946 2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.481 -4.325 3.107 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.257 -5.447 4.435 1.00 0.00 H new ATOM 1445 N VAL A 97 -1.995 -5.897 1.029 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.310 -5.562 -0.236 1.00 0.00 C ATOM 1447 C VAL A 97 -0.969 -6.853 -1.029 1.00 0.00 C ATOM 1448 O VAL A 97 -0.500 -7.844 -0.465 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.028 -4.682 0.035 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.972 -5.391 0.975 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.654 -4.238 -1.283 1.00 0.00 C ATOM 0 H VAL A 97 -1.360 -6.155 1.784 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.985 -4.967 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.368 -3.781 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.839 -4.750 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.491 -5.594 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.293 -6.330 0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.532 -3.635 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.957 -5.118 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.047 -3.649 -1.875 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.258 -6.826 -2.341 1.00 0.00 N ATOM 1462 CA VAL A 98 -1.036 -7.969 -3.263 1.00 0.00 C ATOM 1463 C VAL A 98 0.466 -8.285 -3.496 1.00 0.00 C ATOM 1464 O VAL A 98 1.106 -7.657 -4.311 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.755 -7.736 -4.664 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -3.264 -8.006 -4.585 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -1.507 -6.302 -5.200 1.00 0.00 C ATOM 0 H VAL A 98 -1.655 -6.007 -2.802 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.480 -8.832 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.314 -8.451 -5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.716 -7.835 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.433 -9.039 -4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.716 -7.335 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.013 -6.179 -6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.897 -5.575 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.437 -6.143 -5.332 1.00 0.00 H new ATOM 1477 N LEU A 99 1.013 -9.288 -2.788 1.00 0.00 N ATOM 1478 CA LEU A 99 2.402 -9.800 -3.045 1.00 0.00 C ATOM 1479 C LEU A 99 2.482 -10.639 -4.347 1.00 0.00 C ATOM 1480 O LEU A 99 3.573 -10.937 -4.842 1.00 0.00 O ATOM 1481 CB LEU A 99 2.926 -10.608 -1.811 1.00 0.00 C ATOM 1482 CG LEU A 99 3.615 -9.763 -0.687 1.00 0.00 C ATOM 1483 CD1 LEU A 99 5.026 -9.293 -1.119 1.00 0.00 C ATOM 1484 CD2 LEU A 99 2.738 -8.561 -0.286 1.00 0.00 C ATOM 0 H LEU A 99 0.528 -9.770 -2.031 1.00 0.00 H new ATOM 0 HA LEU A 99 3.051 -8.936 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.087 -11.148 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.636 -11.355 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 99 3.731 -10.407 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.477 -8.709 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.650 -10.161 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.946 -8.677 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.239 -7.990 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.577 -7.922 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.777 -8.919 0.085 1.00 0.00 H new ATOM 1496 N GLN A 100 1.308 -11.010 -4.871 1.00 0.00 N ATOM 1497 CA GLN A 100 1.160 -11.740 -6.146 1.00 0.00 C ATOM 1498 C GLN A 100 1.191 -10.791 -7.381 1.00 0.00 C ATOM 1499 O GLN A 100 1.312 -11.260 -8.518 1.00 0.00 O ATOM 1500 CB GLN A 100 -0.178 -12.529 -6.102 1.00 0.00 C ATOM 1501 CG GLN A 100 -1.444 -11.651 -5.996 1.00 0.00 C ATOM 1502 CD GLN A 100 -2.715 -12.462 -5.757 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -3.380 -12.898 -6.689 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -3.048 -12.677 -4.503 1.00 0.00 N ATOM 0 H GLN A 100 0.416 -10.810 -4.417 1.00 0.00 H new ATOM 0 HA GLN A 100 2.005 -12.419 -6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.252 -13.142 -7.000 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.154 -13.211 -5.252 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.317 -10.937 -5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.556 -11.073 -6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.472 -12.300 -3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.882 -13.221 -4.283 1.00 0.00 H new ATOM 1513 N SER A 101 1.083 -9.460 -7.149 1.00 0.00 N ATOM 1514 CA SER A 101 0.980 -8.452 -8.248 1.00 0.00 C ATOM 1515 C SER A 101 1.976 -7.274 -8.067 1.00 0.00 C ATOM 1516 O SER A 101 2.338 -6.617 -9.057 1.00 0.00 O ATOM 1517 CB SER A 101 -0.474 -7.929 -8.357 1.00 0.00 C ATOM 1518 OG SER A 101 -0.631 -7.007 -9.428 1.00 0.00 O ATOM 0 H SER A 101 1.064 -9.054 -6.214 1.00 0.00 H new ATOM 0 HA SER A 101 1.252 -8.953 -9.177 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.152 -8.770 -8.501 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.757 -7.448 -7.421 1.00 0.00 H new ATOM 0 HG SER A 101 -1.562 -6.702 -9.464 1.00 0.00 H new ATOM 1524 N THR A 102 2.379 -6.976 -6.807 1.00 0.00 N ATOM 1525 CA THR A 102 3.476 -6.002 -6.526 1.00 0.00 C ATOM 1526 C THR A 102 4.789 -6.373 -7.264 1.00 0.00 C ATOM 1527 O THR A 102 5.471 -7.345 -6.917 1.00 0.00 O ATOM 1528 CB THR A 102 3.798 -5.836 -4.991 1.00 0.00 C ATOM 1529 OG1 THR A 102 3.922 -7.119 -4.355 1.00 0.00 O ATOM 1530 CG2 THR A 102 2.752 -4.979 -4.255 1.00 0.00 C ATOM 0 H THR A 102 1.967 -7.390 -5.971 1.00 0.00 H new ATOM 0 HA THR A 102 3.094 -5.052 -6.900 1.00 0.00 H new ATOM 0 HB THR A 102 4.750 -5.309 -4.928 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.465 -7.711 -4.916 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.023 -4.898 -3.202 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.719 -3.984 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.772 -5.447 -4.342 1.00 0.00 H new ATOM 1538 N GLU A 103 5.081 -5.598 -8.316 1.00 0.00 N ATOM 1539 CA GLU A 103 6.376 -5.590 -9.034 1.00 0.00 C ATOM 1540 C GLU A 103 7.537 -5.160 -8.086 1.00 0.00 C ATOM 1541 O GLU A 103 7.359 -4.263 -7.258 1.00 0.00 O ATOM 1542 CB GLU A 103 6.218 -4.620 -10.252 1.00 0.00 C ATOM 1543 CG GLU A 103 7.506 -4.082 -10.915 1.00 0.00 C ATOM 1544 CD GLU A 103 8.444 -5.137 -11.509 1.00 0.00 C ATOM 1545 OE1 GLU A 103 7.963 -6.097 -12.143 1.00 0.00 O ATOM 1546 OE2 GLU A 103 9.674 -4.986 -11.368 1.00 0.00 O ATOM 0 H GLU A 103 4.409 -4.938 -8.707 1.00 0.00 H new ATOM 0 HA GLU A 103 6.635 -6.588 -9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.637 -5.135 -11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.627 -3.765 -9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.222 -3.389 -11.707 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.061 -3.507 -10.173 1.00 0.00 H new ATOM 1553 N LYS A 104 8.720 -5.807 -8.229 1.00 0.00 N ATOM 1554 CA LYS A 104 9.914 -5.546 -7.369 1.00 0.00 C ATOM 1555 C LYS A 104 10.441 -4.087 -7.465 1.00 0.00 C ATOM 1556 O LYS A 104 11.206 -3.653 -6.606 1.00 0.00 O ATOM 1557 CB LYS A 104 11.060 -6.544 -7.702 1.00 0.00 C ATOM 1558 CG LYS A 104 11.471 -6.539 -9.187 1.00 0.00 C ATOM 1559 CD LYS A 104 12.686 -7.432 -9.516 1.00 0.00 C ATOM 1560 CE LYS A 104 14.034 -6.834 -9.078 1.00 0.00 C ATOM 1561 NZ LYS A 104 15.179 -7.657 -9.553 1.00 0.00 N ATOM 0 H LYS A 104 8.879 -6.522 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 104 9.580 -5.694 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.930 -6.301 -7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.746 -7.550 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.622 -6.866 -9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.697 -5.515 -9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.555 -8.400 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.712 -7.613 -10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.127 -5.821 -9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.064 -6.761 -7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.071 -7.224 -9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.103 -8.617 -9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.164 -7.706 -10.592 1.00 0.00 H new ATOM 1575 N SER A 105 10.046 -3.344 -8.520 1.00 0.00 N ATOM 1576 CA SER A 105 10.330 -1.883 -8.643 1.00 0.00 C ATOM 1577 C SER A 105 9.754 -1.061 -7.457 1.00 0.00 C ATOM 1578 O SER A 105 10.278 0.008 -7.116 1.00 0.00 O ATOM 1579 CB SER A 105 9.786 -1.344 -9.983 1.00 0.00 C ATOM 1580 OG SER A 105 10.457 -1.945 -11.082 1.00 0.00 O ATOM 0 H SER A 105 9.525 -3.728 -9.309 1.00 0.00 H new ATOM 0 HA SER A 105 11.413 -1.764 -8.616 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.717 -1.543 -10.052 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.912 -0.262 -10.022 1.00 0.00 H new ATOM 0 HG SER A 105 10.198 -2.888 -11.147 1.00 0.00 H new ATOM 1586 N ALA A 106 8.669 -1.580 -6.843 1.00 0.00 N ATOM 1587 CA ALA A 106 8.066 -1.003 -5.617 1.00 0.00 C ATOM 1588 C ALA A 106 9.047 -0.992 -4.415 1.00 0.00 C ATOM 1589 O ALA A 106 8.959 -0.127 -3.551 1.00 0.00 O ATOM 1590 CB ALA A 106 6.793 -1.785 -5.244 1.00 0.00 C ATOM 0 H ALA A 106 8.185 -2.411 -7.182 1.00 0.00 H new ATOM 0 HA ALA A 106 7.818 0.035 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.354 -1.357 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.075 -1.723 -6.062 1.00 0.00 H new ATOM 0 HB3 ALA A 106 7.047 -2.829 -5.063 1.00 0.00 H new ATOM 1596 N LEU A 107 9.996 -1.949 -4.396 1.00 0.00 N ATOM 1597 CA LEU A 107 10.960 -2.156 -3.274 1.00 0.00 C ATOM 1598 C LEU A 107 12.030 -1.029 -3.153 1.00 0.00 C ATOM 1599 O LEU A 107 12.909 -1.106 -2.290 1.00 0.00 O ATOM 1600 CB LEU A 107 11.639 -3.564 -3.393 1.00 0.00 C ATOM 1601 CG LEU A 107 10.800 -4.801 -2.899 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.397 -4.871 -3.543 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.580 -6.119 -3.134 1.00 0.00 C ATOM 0 H LEU A 107 10.124 -2.611 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 107 10.378 -2.111 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.901 -3.727 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.572 -3.540 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 107 10.644 -4.667 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.866 -5.744 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.837 -3.969 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.497 -4.949 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.983 -6.962 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.786 -6.235 -4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.520 -6.088 -2.584 1.00 0.00 H new ATOM 1615 N ARG A 108 11.958 0.003 -4.012 1.00 0.00 N ATOM 1616 CA ARG A 108 12.736 1.257 -3.842 1.00 0.00 C ATOM 1617 C ARG A 108 11.961 2.286 -2.980 1.00 0.00 C ATOM 1618 O ARG A 108 12.551 3.039 -2.204 1.00 0.00 O ATOM 1619 CB ARG A 108 13.069 1.861 -5.227 1.00 0.00 C ATOM 1620 CG ARG A 108 13.989 0.980 -6.098 1.00 0.00 C ATOM 1621 CD ARG A 108 14.214 1.567 -7.501 1.00 0.00 C ATOM 1622 NE ARG A 108 14.813 2.915 -7.461 1.00 0.00 N ATOM 1623 CZ ARG A 108 14.325 3.997 -8.034 1.00 0.00 C ATOM 1624 NH1 ARG A 108 13.187 3.981 -8.653 1.00 0.00 N ATOM 1625 NH2 ARG A 108 14.984 5.097 -7.953 1.00 0.00 N ATOM 0 H ARG A 108 11.364 -0.002 -4.841 1.00 0.00 H new ATOM 0 HA ARG A 108 13.663 1.016 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.139 2.039 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.544 2.831 -5.083 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.951 0.861 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.553 -0.015 -6.190 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.863 0.901 -8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.262 1.612 -8.029 1.00 0.00 H new ATOM 0 HE ARG A 108 15.685 3.019 -6.942 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.647 3.117 -8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 108 12.831 4.832 -9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.871 5.124 -7.451 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.620 5.943 -8.391 1.00 0.00 H new ATOM 1639 N TYR A 109 10.631 2.294 -3.141 1.00 0.00 N ATOM 1640 CA TYR A 109 9.719 3.278 -2.505 1.00 0.00 C ATOM 1641 C TYR A 109 9.218 2.745 -1.143 1.00 0.00 C ATOM 1642 O TYR A 109 9.242 3.449 -0.128 1.00 0.00 O ATOM 1643 CB TYR A 109 8.524 3.534 -3.456 1.00 0.00 C ATOM 1644 CG TYR A 109 8.927 4.023 -4.863 1.00 0.00 C ATOM 1645 CD1 TYR A 109 9.406 3.134 -5.839 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.838 5.372 -5.213 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.780 3.577 -7.095 1.00 0.00 C ATOM 1648 CE2 TYR A 109 9.207 5.816 -6.468 1.00 0.00 C ATOM 1649 CZ TYR A 109 9.679 4.920 -7.403 1.00 0.00 C ATOM 1650 OH TYR A 109 10.056 5.371 -8.650 1.00 0.00 O ATOM 0 H TYR A 109 10.144 1.612 -3.722 1.00 0.00 H new ATOM 0 HA TYR A 109 10.253 4.211 -2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.949 2.613 -3.555 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.865 4.274 -3.002 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.484 2.083 -5.604 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.473 6.083 -4.487 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.149 2.877 -7.830 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.126 6.864 -6.716 1.00 0.00 H new ATOM 0 HH TYR A 109 9.921 6.340 -8.702 1.00 0.00 H new ATOM 1660 N VAL A 110 8.737 1.497 -1.165 1.00 0.00 N ATOM 1661 CA VAL A 110 8.413 0.705 0.041 1.00 0.00 C ATOM 1662 C VAL A 110 9.514 -0.385 0.228 1.00 0.00 C ATOM 1663 O VAL A 110 10.416 -0.487 -0.598 1.00 0.00 O ATOM 1664 CB VAL A 110 6.971 0.061 -0.115 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.963 -1.131 -1.107 1.00 0.00 C ATOM 1666 CG2 VAL A 110 6.369 -0.352 1.243 1.00 0.00 C ATOM 0 H VAL A 110 8.556 0.994 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 110 8.395 1.340 0.927 1.00 0.00 H new ATOM 0 HB VAL A 110 6.336 0.841 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.954 -1.537 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.288 -0.789 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.642 -1.906 -0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 110 5.382 -0.788 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.018 -1.086 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.281 0.525 1.884 1.00 0.00 H new ATOM 1676 N SER A 111 9.475 -1.178 1.309 1.00 0.00 N ATOM 1677 CA SER A 111 10.346 -2.382 1.438 1.00 0.00 C ATOM 1678 C SER A 111 9.481 -3.654 1.491 1.00 0.00 C ATOM 1679 O SER A 111 8.315 -3.602 1.896 1.00 0.00 O ATOM 1680 CB SER A 111 11.252 -2.275 2.686 1.00 0.00 C ATOM 1681 OG SER A 111 12.063 -1.107 2.641 1.00 0.00 O ATOM 0 H SER A 111 8.859 -1.019 2.106 1.00 0.00 H new ATOM 0 HA SER A 111 10.994 -2.440 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.635 -2.257 3.585 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.887 -3.158 2.753 1.00 0.00 H new ATOM 0 HG SER A 111 12.623 -1.067 3.444 1.00 0.00 H new ATOM 1687 N LEU A 112 10.058 -4.790 1.057 1.00 0.00 N ATOM 1688 CA LEU A 112 9.374 -6.109 1.056 1.00 0.00 C ATOM 1689 C LEU A 112 8.876 -6.521 2.460 1.00 0.00 C ATOM 1690 O LEU A 112 7.821 -7.138 2.584 1.00 0.00 O ATOM 1691 CB LEU A 112 10.313 -7.188 0.434 1.00 0.00 C ATOM 1692 CG LEU A 112 9.873 -8.708 0.524 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.363 -9.517 -0.696 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.380 -9.386 1.832 1.00 0.00 C ATOM 0 H LEU A 112 11.011 -4.826 0.696 1.00 0.00 H new ATOM 0 HA LEU A 112 8.479 -6.024 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.449 -6.943 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.288 -7.095 0.912 1.00 0.00 H new ATOM 0 HG LEU A 112 8.783 -8.708 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.042 -10.554 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.943 -9.092 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.451 -9.477 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.056 -10.426 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.469 -9.345 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.971 -8.862 2.696 1.00 0.00 H new ATOM 1706 N ALA A 113 9.648 -6.190 3.503 1.00 0.00 N ATOM 1707 CA ALA A 113 9.275 -6.495 4.906 1.00 0.00 C ATOM 1708 C ALA A 113 7.941 -5.822 5.317 1.00 0.00 C ATOM 1709 O ALA A 113 7.162 -6.395 6.079 1.00 0.00 O ATOM 1710 CB ALA A 113 10.409 -6.064 5.843 1.00 0.00 C ATOM 0 H ALA A 113 10.542 -5.708 3.409 1.00 0.00 H new ATOM 0 HA ALA A 113 9.123 -7.571 4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.134 -6.288 6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.320 -6.604 5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.580 -4.993 5.738 1.00 0.00 H new ATOM 1716 N ASP A 114 7.685 -4.616 4.774 1.00 0.00 N ATOM 1717 CA ASP A 114 6.423 -3.876 4.988 1.00 0.00 C ATOM 1718 C ASP A 114 5.246 -4.599 4.293 1.00 0.00 C ATOM 1719 O ASP A 114 4.134 -4.667 4.828 1.00 0.00 O ATOM 1720 CB ASP A 114 6.551 -2.436 4.437 1.00 0.00 C ATOM 1721 CG ASP A 114 7.713 -1.645 5.067 1.00 0.00 C ATOM 1722 OD1 ASP A 114 8.877 -2.024 4.853 1.00 0.00 O ATOM 1723 OD2 ASP A 114 7.480 -0.641 5.770 1.00 0.00 O ATOM 0 H ASP A 114 8.348 -4.125 4.173 1.00 0.00 H new ATOM 0 HA ASP A 114 6.226 -3.834 6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.693 -2.479 3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.618 -1.902 4.615 1.00 0.00 H new ATOM 1728 N LEU A 115 5.544 -5.176 3.113 1.00 0.00 N ATOM 1729 CA LEU A 115 4.563 -5.875 2.270 1.00 0.00 C ATOM 1730 C LEU A 115 4.099 -7.180 2.954 1.00 0.00 C ATOM 1731 O LEU A 115 2.906 -7.409 3.158 1.00 0.00 O ATOM 1732 CB LEU A 115 5.198 -6.208 0.892 1.00 0.00 C ATOM 1733 CG LEU A 115 5.742 -5.019 0.047 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.371 -5.517 -1.273 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.646 -3.984 -0.234 1.00 0.00 C ATOM 0 H LEU A 115 6.484 -5.168 2.717 1.00 0.00 H new ATOM 0 HA LEU A 115 3.700 -5.225 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.019 -6.905 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.451 -6.732 0.295 1.00 0.00 H new ATOM 0 HG LEU A 115 6.521 -4.532 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.743 -4.665 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.197 -6.193 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.618 -6.045 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.060 -3.168 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.833 -4.456 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.265 -3.592 0.709 1.00 0.00 H new ATOM 1747 N GLN A 116 5.093 -7.996 3.340 1.00 0.00 N ATOM 1748 CA GLN A 116 4.897 -9.365 3.864 1.00 0.00 C ATOM 1749 C GLN A 116 4.340 -9.377 5.304 1.00 0.00 C ATOM 1750 O GLN A 116 3.644 -10.317 5.698 1.00 0.00 O ATOM 1751 CB GLN A 116 6.241 -10.134 3.775 1.00 0.00 C ATOM 1752 CG GLN A 116 6.821 -10.230 2.333 1.00 0.00 C ATOM 1753 CD GLN A 116 7.380 -11.616 1.959 1.00 0.00 C ATOM 1754 OE1 GLN A 116 7.852 -12.362 2.811 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.353 -11.964 0.684 1.00 0.00 N ATOM 0 H GLN A 116 6.074 -7.722 3.297 1.00 0.00 H new ATOM 0 HA GLN A 116 4.145 -9.862 3.251 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.972 -9.643 4.418 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.098 -11.141 4.166 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.039 -9.964 1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.615 -9.491 2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.956 -11.330 -0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.729 -12.867 0.394 1.00 0.00 H new ATOM 1764 N ALA A 117 4.643 -8.313 6.069 1.00 0.00 N ATOM 1765 CA ALA A 117 4.109 -8.128 7.446 1.00 0.00 C ATOM 1766 C ALA A 117 2.568 -7.887 7.477 1.00 0.00 C ATOM 1767 O ALA A 117 1.942 -8.002 8.538 1.00 0.00 O ATOM 1768 CB ALA A 117 4.854 -6.985 8.141 1.00 0.00 C ATOM 0 H ALA A 117 5.258 -7.560 5.762 1.00 0.00 H new ATOM 0 HA ALA A 117 4.280 -9.059 7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.460 -6.853 9.149 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.916 -7.223 8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.717 -6.064 7.575 1.00 0.00 H new ATOM 1774 N HIS A 118 1.971 -7.521 6.319 1.00 0.00 N ATOM 1775 CA HIS A 118 0.487 -7.405 6.158 1.00 0.00 C ATOM 1776 C HIS A 118 -0.021 -8.157 4.897 1.00 0.00 C ATOM 1777 O HIS A 118 -1.133 -7.908 4.408 1.00 0.00 O ATOM 1778 CB HIS A 118 0.046 -5.902 6.168 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.481 -5.446 7.509 1.00 0.00 C ATOM 1780 ND1 HIS A 118 0.307 -4.914 8.506 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -1.740 -5.460 8.011 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -0.440 -4.629 9.557 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -1.682 -4.948 9.282 1.00 0.00 N ATOM 0 H HIS A 118 2.492 -7.298 5.471 1.00 0.00 H new ATOM 0 HA HIS A 118 0.018 -7.893 7.013 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.895 -5.279 5.887 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.724 -5.751 5.412 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.626 -5.810 7.503 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -0.088 -4.205 10.486 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -2.476 -4.834 9.912 1.00 0.00 H new ATOM 1792 N ALA A 119 0.798 -9.101 4.404 1.00 0.00 N ATOM 1793 CA ALA A 119 0.393 -10.079 3.375 1.00 0.00 C ATOM 1794 C ALA A 119 -0.172 -11.361 4.038 1.00 0.00 C ATOM 1795 O ALA A 119 -0.549 -11.352 5.215 1.00 0.00 O ATOM 1796 CB ALA A 119 1.604 -10.414 2.495 1.00 0.00 C ATOM 0 H ALA A 119 1.765 -9.209 4.709 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.393 -9.648 2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.311 -11.136 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.967 -9.506 2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.396 -10.839 3.112 1.00 0.00 H new