USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=16 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 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 143:sc= -1.44 (180deg=-2.67!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.033 USER MOD Single : A 53 SER OG : rot -170:sc=-0.00401 USER MOD Single : A 79 CYS SG : rot -33:sc= 0.0758 USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.106 F(o=-1.6!,f=-0.11) USER MOD Single : A 93 MET CE :methyl 173:sc= -1.32 (180deg=-1.43) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 150:sc= 0 USER MOD Single : A 102 THR OG1 : rot 54:sc= 1.27 USER MOD Single : A 104 LYS NZ :NH3+ 170:sc=-0.00758 (180deg=-0.125) USER MOD Single : A 105 SER OG : rot 114:sc= 0.887 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= -0.247 X(o=-0.25,f=-0.66) USER MOD Single : A 118 HIS : no HD1:sc= -0.351 K(o=-0.35,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 567 N THR A 40 7.504 1.105 -10.772 1.00 0.00 N ATOM 568 CA THR A 40 6.023 1.013 -10.848 1.00 0.00 C ATOM 569 C THR A 40 5.494 0.238 -9.627 1.00 0.00 C ATOM 570 O THR A 40 6.058 -0.789 -9.234 1.00 0.00 O ATOM 571 CB THR A 40 5.514 0.346 -12.183 1.00 0.00 C ATOM 572 OG1 THR A 40 4.086 0.138 -12.142 1.00 0.00 O ATOM 573 CG2 THR A 40 6.218 -0.979 -12.508 1.00 0.00 C ATOM 0 HA THR A 40 5.634 2.031 -10.845 1.00 0.00 H new ATOM 0 HB THR A 40 5.763 1.047 -12.979 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.791 -0.275 -12.980 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.820 -1.384 -13.439 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.289 -0.805 -12.616 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.046 -1.690 -11.700 1.00 0.00 H new ATOM 581 N VAL A 41 4.423 0.753 -9.002 1.00 0.00 N ATOM 582 CA VAL A 41 3.852 0.176 -7.765 1.00 0.00 C ATOM 583 C VAL A 41 2.380 -0.226 -7.991 1.00 0.00 C ATOM 584 O VAL A 41 1.509 0.632 -8.192 1.00 0.00 O ATOM 585 CB VAL A 41 3.957 1.185 -6.562 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.472 0.545 -5.228 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.395 1.744 -6.424 1.00 0.00 C ATOM 0 H VAL A 41 3.926 1.579 -9.336 1.00 0.00 H new ATOM 0 HA VAL A 41 4.431 -0.713 -7.513 1.00 0.00 H new ATOM 0 HB VAL A 41 3.292 2.020 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.560 1.273 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.431 0.239 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.085 -0.326 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.437 2.438 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.090 0.922 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.672 2.266 -7.340 1.00 0.00 H new ATOM 597 N CYS A 42 2.117 -1.539 -7.990 1.00 0.00 N ATOM 598 CA CYS A 42 0.751 -2.085 -8.060 1.00 0.00 C ATOM 599 C CYS A 42 0.347 -2.629 -6.676 1.00 0.00 C ATOM 600 O CYS A 42 0.829 -3.679 -6.241 1.00 0.00 O ATOM 601 CB CYS A 42 0.692 -3.194 -9.130 1.00 0.00 C ATOM 602 SG CYS A 42 1.125 -2.635 -10.795 1.00 0.00 S ATOM 0 H CYS A 42 2.843 -2.254 -7.941 1.00 0.00 H new ATOM 0 HA CYS A 42 0.049 -1.300 -8.342 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.367 -3.999 -8.841 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.314 -3.613 -9.149 1.00 0.00 H new ATOM 0 HG CYS A 42 1.049 -3.635 -11.622 1.00 0.00 H new ATOM 608 N ALA A 43 -0.553 -1.911 -5.999 1.00 0.00 N ATOM 609 CA ALA A 43 -1.005 -2.235 -4.636 1.00 0.00 C ATOM 610 C ALA A 43 -2.500 -1.928 -4.513 1.00 0.00 C ATOM 611 O ALA A 43 -3.017 -1.044 -5.210 1.00 0.00 O ATOM 612 CB ALA A 43 -0.185 -1.458 -3.596 1.00 0.00 C ATOM 0 H ALA A 43 -0.996 -1.077 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.850 -3.297 -4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.534 -1.711 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.868 -1.723 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.306 -0.388 -3.763 1.00 0.00 H new ATOM 618 N GLU A 44 -3.199 -2.653 -3.639 1.00 0.00 N ATOM 619 CA GLU A 44 -4.663 -2.562 -3.530 1.00 0.00 C ATOM 620 C GLU A 44 -5.073 -2.283 -2.070 1.00 0.00 C ATOM 621 O GLU A 44 -4.822 -3.099 -1.185 1.00 0.00 O ATOM 622 CB GLU A 44 -5.287 -3.873 -4.073 1.00 0.00 C ATOM 623 CG GLU A 44 -6.762 -3.746 -4.429 1.00 0.00 C ATOM 624 CD GLU A 44 -7.337 -4.989 -5.141 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.406 -6.072 -4.517 1.00 0.00 O ATOM 626 OE2 GLU A 44 -7.719 -4.890 -6.328 1.00 0.00 O ATOM 0 H GLU A 44 -2.775 -3.316 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.037 -1.731 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.734 -4.189 -4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.169 -4.658 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.332 -3.564 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.898 -2.875 -5.070 1.00 0.00 H new ATOM 633 N MET A 45 -5.676 -1.105 -1.827 1.00 0.00 N ATOM 634 CA MET A 45 -6.018 -0.632 -0.460 1.00 0.00 C ATOM 635 C MET A 45 -7.511 -0.894 -0.119 1.00 0.00 C ATOM 636 O MET A 45 -8.365 -0.942 -1.011 1.00 0.00 O ATOM 637 CB MET A 45 -5.683 0.884 -0.332 1.00 0.00 C ATOM 638 CG MET A 45 -4.313 1.271 -0.922 1.00 0.00 C ATOM 639 SD MET A 45 -2.933 0.293 -0.283 1.00 0.00 S ATOM 640 CE MET A 45 -2.807 0.903 1.389 1.00 0.00 C ATOM 0 H MET A 45 -5.942 -0.452 -2.564 1.00 0.00 H new ATOM 0 HA MET A 45 -5.420 -1.196 0.256 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.460 1.462 -0.833 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.707 1.164 0.721 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.352 1.161 -2.006 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.125 2.324 -0.715 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.550 0.081 2.058 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.032 1.668 1.440 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.762 1.333 1.692 1.00 0.00 H new ATOM 650 N THR A 46 -7.809 -1.051 1.187 1.00 0.00 N ATOM 651 CA THR A 46 -9.198 -1.222 1.698 1.00 0.00 C ATOM 652 C THR A 46 -9.835 0.146 2.007 1.00 0.00 C ATOM 653 O THR A 46 -9.114 1.116 2.266 1.00 0.00 O ATOM 654 CB THR A 46 -9.247 -2.115 2.991 1.00 0.00 C ATOM 655 OG1 THR A 46 -10.597 -2.222 3.477 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.347 -1.574 4.115 1.00 0.00 C ATOM 0 H THR A 46 -7.101 -1.064 1.921 1.00 0.00 H new ATOM 0 HA THR A 46 -9.762 -1.725 0.912 1.00 0.00 H new ATOM 0 HB THR A 46 -8.873 -3.098 2.705 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.612 -2.782 4.281 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.418 -2.228 4.984 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.314 -1.541 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.671 -0.570 4.389 1.00 0.00 H new ATOM 664 N GLU A 47 -11.186 0.199 2.021 1.00 0.00 N ATOM 665 CA GLU A 47 -11.967 1.449 2.248 1.00 0.00 C ATOM 666 C GLU A 47 -11.549 2.178 3.546 1.00 0.00 C ATOM 667 O GLU A 47 -11.594 3.407 3.620 1.00 0.00 O ATOM 668 CB GLU A 47 -13.486 1.132 2.294 1.00 0.00 C ATOM 669 CG GLU A 47 -14.398 2.379 2.405 1.00 0.00 C ATOM 670 CD GLU A 47 -15.904 2.071 2.542 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.268 0.999 3.072 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.733 2.898 2.111 1.00 0.00 O ATOM 0 H GLU A 47 -11.772 -0.623 1.875 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.752 2.115 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.756 0.578 1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.682 0.477 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.082 2.967 3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.248 3.001 1.523 1.00 0.00 H new ATOM 679 N GLU A 48 -11.138 1.384 4.549 1.00 0.00 N ATOM 680 CA GLU A 48 -10.597 1.882 5.836 1.00 0.00 C ATOM 681 C GLU A 48 -9.456 2.914 5.612 1.00 0.00 C ATOM 682 O GLU A 48 -9.431 3.973 6.241 1.00 0.00 O ATOM 683 CB GLU A 48 -10.065 0.691 6.671 1.00 0.00 C ATOM 684 CG GLU A 48 -11.064 -0.465 6.863 1.00 0.00 C ATOM 685 CD GLU A 48 -10.469 -1.630 7.675 1.00 0.00 C ATOM 686 OE1 GLU A 48 -9.716 -2.448 7.102 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.729 -1.719 8.893 1.00 0.00 O ATOM 0 H GLU A 48 -11.170 0.366 4.494 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.404 2.382 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.168 0.301 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.765 1.059 7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.954 -0.091 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.382 -0.832 5.887 1.00 0.00 H new ATOM 694 N PHE A 49 -8.535 2.591 4.682 1.00 0.00 N ATOM 695 CA PHE A 49 -7.418 3.485 4.316 1.00 0.00 C ATOM 696 C PHE A 49 -7.870 4.685 3.450 1.00 0.00 C ATOM 697 O PHE A 49 -7.449 5.816 3.713 1.00 0.00 O ATOM 698 CB PHE A 49 -6.289 2.715 3.586 1.00 0.00 C ATOM 699 CG PHE A 49 -5.114 3.617 3.200 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.277 4.154 4.182 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.881 3.982 1.870 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.247 5.011 3.847 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.858 4.845 1.541 1.00 0.00 C ATOM 704 CZ PHE A 49 -3.040 5.356 2.528 1.00 0.00 C ATOM 0 H PHE A 49 -8.544 1.711 4.167 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.034 3.878 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.929 1.911 4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.694 2.249 2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.438 3.895 5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.512 3.582 1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.604 5.411 4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.696 5.122 0.510 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.236 6.028 2.267 1.00 0.00 H new ATOM 714 N LEU A 50 -8.678 4.444 2.392 1.00 0.00 N ATOM 715 CA LEU A 50 -9.054 5.537 1.455 1.00 0.00 C ATOM 716 C LEU A 50 -9.917 6.617 2.157 1.00 0.00 C ATOM 717 O LEU A 50 -9.805 7.795 1.833 1.00 0.00 O ATOM 718 CB LEU A 50 -9.757 5.008 0.170 1.00 0.00 C ATOM 719 CG LEU A 50 -8.907 4.112 -0.803 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.466 4.631 -0.986 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.918 2.639 -0.381 1.00 0.00 C ATOM 0 H LEU A 50 -9.074 3.532 2.166 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.121 6.003 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.633 4.436 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.119 5.868 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.392 4.181 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.926 3.973 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.492 5.639 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.960 4.647 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.319 2.056 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.500 2.545 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.943 2.267 -0.384 1.00 0.00 H new ATOM 733 N LEU A 51 -10.748 6.205 3.135 1.00 0.00 N ATOM 734 CA LEU A 51 -11.524 7.140 3.987 1.00 0.00 C ATOM 735 C LEU A 51 -10.642 7.809 5.075 1.00 0.00 C ATOM 736 O LEU A 51 -10.921 8.936 5.467 1.00 0.00 O ATOM 737 CB LEU A 51 -12.746 6.430 4.633 1.00 0.00 C ATOM 738 CG LEU A 51 -13.871 5.955 3.657 1.00 0.00 C ATOM 739 CD1 LEU A 51 -15.080 5.386 4.435 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.303 7.087 2.694 1.00 0.00 C ATOM 0 H LEU A 51 -10.903 5.222 3.359 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.891 7.931 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.384 5.563 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.190 7.109 5.361 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.459 5.150 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.847 5.064 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.758 4.535 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.488 6.158 5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.086 6.721 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.681 7.931 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.446 7.408 2.102 1.00 0.00 H new ATOM 752 N PHE A 52 -9.606 7.094 5.575 1.00 0.00 N ATOM 753 CA PHE A 52 -8.575 7.680 6.488 1.00 0.00 C ATOM 754 C PHE A 52 -7.876 8.893 5.818 1.00 0.00 C ATOM 755 O PHE A 52 -7.758 9.974 6.411 1.00 0.00 O ATOM 756 CB PHE A 52 -7.534 6.580 6.878 1.00 0.00 C ATOM 757 CG PHE A 52 -6.252 7.080 7.564 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.242 7.413 8.918 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.054 7.221 6.844 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.087 7.869 9.531 1.00 0.00 C ATOM 761 CE2 PHE A 52 -3.901 7.674 7.458 1.00 0.00 C ATOM 762 CZ PHE A 52 -3.918 8.000 8.802 1.00 0.00 C ATOM 0 H PHE A 52 -9.455 6.107 5.365 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.063 8.038 7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.022 5.865 7.540 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.252 6.038 5.975 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.148 7.314 9.497 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.033 6.971 5.793 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.099 8.123 10.581 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.988 7.773 6.889 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.019 8.357 9.283 1.00 0.00 H new ATOM 772 N SER A 53 -7.443 8.681 4.568 1.00 0.00 N ATOM 773 CA SER A 53 -6.744 9.700 3.759 1.00 0.00 C ATOM 774 C SER A 53 -7.697 10.848 3.340 1.00 0.00 C ATOM 775 O SER A 53 -7.345 12.024 3.429 1.00 0.00 O ATOM 776 CB SER A 53 -6.126 9.025 2.506 1.00 0.00 C ATOM 777 OG SER A 53 -5.396 9.945 1.708 1.00 0.00 O ATOM 0 H SER A 53 -7.567 7.793 4.082 1.00 0.00 H new ATOM 0 HA SER A 53 -5.953 10.140 4.367 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.467 8.215 2.819 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.919 8.577 1.908 1.00 0.00 H new ATOM 0 HG SER A 53 -5.158 9.523 0.856 1.00 0.00 H new ATOM 1109 N ALA A 74 -11.364 1.845 -2.918 1.00 0.00 N ATOM 1110 CA ALA A 74 -11.355 0.523 -2.246 1.00 0.00 C ATOM 1111 C ALA A 74 -11.455 -0.664 -3.240 1.00 0.00 C ATOM 1112 O ALA A 74 -12.448 -0.811 -3.968 1.00 0.00 O ATOM 1113 CB ALA A 74 -12.474 0.463 -1.198 1.00 0.00 C ATOM 0 HA ALA A 74 -10.390 0.418 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.462 -0.511 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.319 1.245 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.437 0.612 -1.686 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.400 -1.502 -3.237 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.297 -2.658 -4.128 1.00 0.00 C ATOM 1121 C GLY A 75 -9.860 -2.291 -5.552 1.00 0.00 C ATOM 1122 O GLY A 75 -10.323 -2.897 -6.527 1.00 0.00 O ATOM 0 H GLY A 75 -9.600 -1.391 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.585 -3.368 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.262 -3.162 -4.170 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.963 -1.288 -5.670 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.371 -0.869 -6.960 1.00 0.00 C ATOM 1128 C ASP A 76 -6.835 -1.058 -6.959 1.00 0.00 C ATOM 1129 O ASP A 76 -6.095 -0.239 -6.400 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.732 0.612 -7.269 1.00 0.00 C ATOM 1131 CG ASP A 76 -10.220 0.804 -7.594 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -11.062 0.631 -6.692 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.560 1.104 -8.757 1.00 0.00 O ATOM 0 H ASP A 76 -8.629 -0.746 -4.873 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.789 -1.503 -7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.469 1.232 -6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.133 0.960 -8.110 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.370 -2.172 -7.555 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.943 -2.352 -7.894 1.00 0.00 C ATOM 1140 C ARG A 77 -4.622 -1.518 -9.164 1.00 0.00 C ATOM 1141 O ARG A 77 -4.681 -2.016 -10.294 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.611 -3.873 -8.095 1.00 0.00 C ATOM 1143 CG ARG A 77 -5.631 -4.650 -8.977 1.00 0.00 C ATOM 1144 CD ARG A 77 -5.203 -6.097 -9.291 1.00 0.00 C ATOM 1145 NE ARG A 77 -4.074 -6.146 -10.241 1.00 0.00 N ATOM 1146 CZ ARG A 77 -3.649 -7.224 -10.875 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -4.186 -8.385 -10.669 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -2.667 -7.126 -11.714 1.00 0.00 N ATOM 0 H ARG A 77 -6.961 -2.962 -7.812 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.317 -1.998 -7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.622 -3.959 -8.546 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.558 -4.352 -7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.596 -4.668 -8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.772 -4.111 -9.914 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.921 -6.600 -8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.050 -6.644 -9.706 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.580 -5.273 -10.423 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.954 -8.481 -10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.840 -9.203 -11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.227 -6.221 -11.881 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.333 -7.954 -12.207 1.00 0.00 H new ATOM 1162 N TRP A 78 -4.268 -0.236 -8.951 1.00 0.00 N ATOM 1163 CA TRP A 78 -4.056 0.740 -10.049 1.00 0.00 C ATOM 1164 C TRP A 78 -3.549 2.088 -9.498 1.00 0.00 C ATOM 1165 O TRP A 78 -4.147 2.650 -8.577 1.00 0.00 O ATOM 1166 CB TRP A 78 -5.371 0.970 -10.866 1.00 0.00 C ATOM 1167 CG TRP A 78 -5.228 1.928 -12.039 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -5.794 3.174 -12.176 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -4.449 1.715 -13.232 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -5.417 3.735 -13.369 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -4.600 2.862 -14.037 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -3.650 0.664 -13.700 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -3.974 2.990 -15.278 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -3.027 0.792 -14.928 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -3.196 1.947 -15.708 1.00 0.00 C ATOM 0 H TRP A 78 -4.120 0.155 -8.021 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.301 0.320 -10.713 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.724 0.009 -11.240 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.139 1.352 -10.193 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -6.441 3.642 -11.449 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -5.700 4.655 -13.705 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.522 -0.232 -13.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -4.098 3.879 -15.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -2.401 -0.009 -15.293 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -2.703 2.015 -16.666 1.00 0.00 H new ATOM 1186 N CYS A 79 -2.418 2.569 -10.067 1.00 0.00 N ATOM 1187 CA CYS A 79 -1.851 3.928 -9.822 1.00 0.00 C ATOM 1188 C CYS A 79 -1.506 4.205 -8.327 1.00 0.00 C ATOM 1189 O CYS A 79 -1.279 5.359 -7.939 1.00 0.00 O ATOM 1190 CB CYS A 79 -2.820 5.014 -10.375 1.00 0.00 C ATOM 1191 SG CYS A 79 -2.171 6.708 -10.342 1.00 0.00 S ATOM 0 H CYS A 79 -1.861 2.019 -10.721 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.902 3.971 -10.356 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.078 4.760 -11.403 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.744 4.983 -9.797 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.392 6.854 -9.312 1.00 0.00 H new ATOM 1197 N LEU A 80 -1.428 3.137 -7.498 1.00 0.00 N ATOM 1198 CA LEU A 80 -1.194 3.289 -6.048 1.00 0.00 C ATOM 1199 C LEU A 80 0.287 3.648 -5.801 1.00 0.00 C ATOM 1200 O LEU A 80 1.171 2.815 -5.994 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.635 2.001 -5.257 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.783 2.131 -3.687 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.431 2.126 -2.943 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.613 3.379 -3.306 1.00 0.00 C ATOM 0 H LEU A 80 -1.523 2.170 -7.808 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.811 4.104 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.592 1.668 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.911 1.213 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.318 1.239 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.605 2.218 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.093 1.192 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.176 2.964 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.698 3.442 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.119 4.274 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.608 3.302 -3.744 1.00 0.00 H new ATOM 1216 N CYS A 81 0.531 4.912 -5.396 1.00 0.00 N ATOM 1217 CA CYS A 81 1.880 5.418 -5.078 1.00 0.00 C ATOM 1218 C CYS A 81 2.470 4.696 -3.844 1.00 0.00 C ATOM 1219 O CYS A 81 1.779 4.518 -2.832 1.00 0.00 O ATOM 1220 CB CYS A 81 1.828 6.945 -4.827 1.00 0.00 C ATOM 1221 SG CYS A 81 1.138 7.895 -6.205 1.00 0.00 S ATOM 0 H CYS A 81 -0.204 5.610 -5.281 1.00 0.00 H new ATOM 0 HA CYS A 81 2.529 5.216 -5.930 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.233 7.136 -3.934 1.00 0.00 H new ATOM 0 HB3 CYS A 81 2.837 7.303 -4.621 1.00 0.00 H new ATOM 0 HG CYS A 81 1.133 9.159 -5.901 1.00 0.00 H new ATOM 1227 N ALA A 82 3.750 4.301 -3.945 1.00 0.00 N ATOM 1228 CA ALA A 82 4.479 3.562 -2.888 1.00 0.00 C ATOM 1229 C ALA A 82 4.386 4.231 -1.500 1.00 0.00 C ATOM 1230 O ALA A 82 4.049 3.578 -0.515 1.00 0.00 O ATOM 1231 CB ALA A 82 5.942 3.440 -3.283 1.00 0.00 C ATOM 0 H ALA A 82 4.319 4.486 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 82 4.008 2.583 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.484 2.897 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.020 2.901 -4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.372 4.435 -3.397 1.00 0.00 H new ATOM 1237 N SER A 83 4.667 5.546 -1.470 1.00 0.00 N ATOM 1238 CA SER A 83 4.637 6.373 -0.235 1.00 0.00 C ATOM 1239 C SER A 83 3.263 6.341 0.480 1.00 0.00 C ATOM 1240 O SER A 83 3.188 6.492 1.700 1.00 0.00 O ATOM 1241 CB SER A 83 5.009 7.834 -0.579 1.00 0.00 C ATOM 1242 OG SER A 83 6.298 7.914 -1.171 1.00 0.00 O ATOM 0 H SER A 83 4.924 6.075 -2.304 1.00 0.00 H new ATOM 0 HA SER A 83 5.366 5.945 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.267 8.249 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.984 8.440 0.326 1.00 0.00 H new ATOM 0 HG SER A 83 6.505 8.849 -1.379 1.00 0.00 H new ATOM 1248 N ARG A 84 2.183 6.155 -0.303 1.00 0.00 N ATOM 1249 CA ARG A 84 0.794 6.159 0.209 1.00 0.00 C ATOM 1250 C ARG A 84 0.521 4.893 1.076 1.00 0.00 C ATOM 1251 O ARG A 84 0.063 4.995 2.218 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.207 6.261 -0.982 1.00 0.00 C ATOM 1253 CG ARG A 84 -1.609 6.812 -0.632 1.00 0.00 C ATOM 1254 CD ARG A 84 -1.635 8.349 -0.401 1.00 0.00 C ATOM 1255 NE ARG A 84 -0.872 8.791 0.783 1.00 0.00 N ATOM 1256 CZ ARG A 84 -1.385 9.109 1.953 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -2.657 9.030 2.191 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -0.605 9.514 2.885 1.00 0.00 N ATOM 0 H ARG A 84 2.246 5.998 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 84 0.654 7.029 0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.233 6.898 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.325 5.270 -1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.299 6.563 -1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.973 6.312 0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.235 8.846 -1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.670 8.673 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 84 0.141 8.856 0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.294 8.713 1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.021 9.284 3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.398 9.586 2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.987 9.764 3.797 1.00 0.00 H new ATOM 1272 N TRP A 85 0.836 3.710 0.513 1.00 0.00 N ATOM 1273 CA TRP A 85 0.806 2.408 1.248 1.00 0.00 C ATOM 1274 C TRP A 85 1.839 2.407 2.414 1.00 0.00 C ATOM 1275 O TRP A 85 1.547 1.933 3.519 1.00 0.00 O ATOM 1276 CB TRP A 85 1.041 1.221 0.237 1.00 0.00 C ATOM 1277 CG TRP A 85 1.803 0.018 0.777 1.00 0.00 C ATOM 1278 CD1 TRP A 85 3.051 -0.392 0.392 1.00 0.00 C ATOM 1279 CD2 TRP A 85 1.387 -0.901 1.814 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.437 -1.475 1.129 1.00 0.00 N ATOM 1281 CE2 TRP A 85 2.438 -1.809 2.001 1.00 0.00 C ATOM 1282 CE3 TRP A 85 0.238 -1.034 2.601 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 2.381 -2.836 2.942 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 0.182 -2.053 3.531 1.00 0.00 C ATOM 1285 CH2 TRP A 85 1.248 -2.944 3.698 1.00 0.00 C ATOM 0 H TRP A 85 1.119 3.619 -0.463 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.176 2.270 1.701 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.070 0.879 -0.121 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.581 1.609 -0.627 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.644 0.073 -0.382 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.331 -1.959 1.043 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.591 -0.352 2.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 3.205 -3.523 3.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -0.702 -2.165 4.142 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.174 -3.729 4.436 1.00 0.00 H new ATOM 1296 N GLN A 86 3.030 2.962 2.135 1.00 0.00 N ATOM 1297 CA GLN A 86 4.177 2.996 3.072 1.00 0.00 C ATOM 1298 C GLN A 86 3.823 3.716 4.396 1.00 0.00 C ATOM 1299 O GLN A 86 4.180 3.243 5.481 1.00 0.00 O ATOM 1300 CB GLN A 86 5.395 3.673 2.378 1.00 0.00 C ATOM 1301 CG GLN A 86 6.710 3.804 3.197 1.00 0.00 C ATOM 1302 CD GLN A 86 7.355 2.476 3.637 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.640 1.662 4.390 1.00 0.00 O flip ATOM 1304 NE2 GLN A 86 8.536 2.243 3.399 1.00 0.00 N flip ATOM 0 H GLN A 86 3.231 3.408 1.240 1.00 0.00 H new ATOM 0 HA GLN A 86 4.435 1.970 3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.619 3.112 1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.092 4.673 2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.434 4.359 2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.505 4.400 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.074 2.883 2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.979 1.410 3.785 1.00 0.00 H new ATOM 1313 N GLU A 87 3.092 4.836 4.284 1.00 0.00 N ATOM 1314 CA GLU A 87 2.626 5.612 5.460 1.00 0.00 C ATOM 1315 C GLU A 87 1.675 4.782 6.353 1.00 0.00 C ATOM 1316 O GLU A 87 1.734 4.869 7.583 1.00 0.00 O ATOM 1317 CB GLU A 87 1.903 6.917 5.015 1.00 0.00 C ATOM 1318 CG GLU A 87 1.431 7.818 6.184 1.00 0.00 C ATOM 1319 CD GLU A 87 0.545 8.993 5.731 1.00 0.00 C ATOM 1320 OE1 GLU A 87 1.088 10.060 5.371 1.00 0.00 O ATOM 1321 OE2 GLU A 87 -0.701 8.849 5.721 1.00 0.00 O ATOM 0 H GLU A 87 2.806 5.232 3.389 1.00 0.00 H new ATOM 0 HA GLU A 87 3.513 5.869 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.576 7.492 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.039 6.650 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.878 7.211 6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.304 8.211 6.706 1.00 0.00 H new ATOM 1328 N ALA A 88 0.825 3.958 5.713 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.200 3.155 6.406 1.00 0.00 C ATOM 1330 C ALA A 88 0.434 2.152 7.394 1.00 0.00 C ATOM 1331 O ALA A 88 -0.091 1.933 8.491 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.069 2.428 5.379 1.00 0.00 C ATOM 0 H ALA A 88 0.829 3.830 4.701 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.825 3.831 6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.825 1.836 5.896 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.558 3.158 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.444 1.771 4.774 1.00 0.00 H new ATOM 1338 N PHE A 89 1.568 1.554 6.983 1.00 0.00 N ATOM 1339 CA PHE A 89 2.361 0.652 7.842 1.00 0.00 C ATOM 1340 C PHE A 89 3.021 1.424 9.004 1.00 0.00 C ATOM 1341 O PHE A 89 2.883 1.045 10.171 1.00 0.00 O ATOM 1342 CB PHE A 89 3.442 -0.091 7.010 1.00 0.00 C ATOM 1343 CG PHE A 89 4.282 -1.085 7.829 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.842 -2.392 8.040 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.506 -0.711 8.400 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.592 -3.279 8.783 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.250 -1.606 9.146 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.792 -2.889 9.337 1.00 0.00 C ATOM 0 H PHE A 89 1.960 1.681 6.050 1.00 0.00 H new ATOM 0 HA PHE A 89 1.678 -0.084 8.266 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.955 -0.627 6.195 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.107 0.644 6.556 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.902 -2.713 7.616 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.874 0.294 8.255 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.236 -4.288 8.932 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.190 -1.298 9.579 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.372 -3.589 9.920 1.00 0.00 H new ATOM 1358 N GLU A 90 3.733 2.513 8.663 1.00 0.00 N ATOM 1359 CA GLU A 90 4.523 3.312 9.635 1.00 0.00 C ATOM 1360 C GLU A 90 3.624 4.045 10.669 1.00 0.00 C ATOM 1361 O GLU A 90 4.099 4.461 11.736 1.00 0.00 O ATOM 1362 CB GLU A 90 5.421 4.320 8.868 1.00 0.00 C ATOM 1363 CG GLU A 90 6.394 3.669 7.865 1.00 0.00 C ATOM 1364 CD GLU A 90 7.238 4.697 7.093 1.00 0.00 C ATOM 1365 OE1 GLU A 90 6.673 5.425 6.247 1.00 0.00 O ATOM 1366 OE2 GLU A 90 8.461 4.797 7.331 1.00 0.00 O ATOM 0 H GLU A 90 3.781 2.869 7.708 1.00 0.00 H new ATOM 0 HA GLU A 90 5.150 2.625 10.204 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.783 5.023 8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.996 4.899 9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.058 2.990 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.827 3.067 7.156 1.00 0.00 H new ATOM 1373 N ALA A 91 2.327 4.203 10.339 1.00 0.00 N ATOM 1374 CA ALA A 91 1.312 4.731 11.277 1.00 0.00 C ATOM 1375 C ALA A 91 0.662 3.594 12.113 1.00 0.00 C ATOM 1376 O ALA A 91 0.205 3.829 13.237 1.00 0.00 O ATOM 1377 CB ALA A 91 0.250 5.522 10.505 1.00 0.00 C ATOM 0 H ALA A 91 1.953 3.970 9.419 1.00 0.00 H new ATOM 0 HA ALA A 91 1.809 5.401 11.978 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.494 5.908 11.202 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.724 6.353 9.983 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.236 4.868 9.781 1.00 0.00 H new ATOM 1383 N GLY A 92 0.631 2.357 11.562 1.00 0.00 N ATOM 1384 CA GLY A 92 0.201 1.165 12.331 1.00 0.00 C ATOM 1385 C GLY A 92 -0.870 0.292 11.662 1.00 0.00 C ATOM 1386 O GLY A 92 -1.003 -0.888 12.015 1.00 0.00 O ATOM 0 H GLY A 92 0.896 2.160 10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.077 0.547 12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.178 1.496 13.298 1.00 0.00 H new ATOM 1390 N MET A 93 -1.645 0.852 10.711 1.00 0.00 N ATOM 1391 CA MET A 93 -2.786 0.128 10.082 1.00 0.00 C ATOM 1392 C MET A 93 -2.291 -0.982 9.116 1.00 0.00 C ATOM 1393 O MET A 93 -2.450 -2.176 9.400 1.00 0.00 O ATOM 1394 CB MET A 93 -3.735 1.113 9.332 1.00 0.00 C ATOM 1395 CG MET A 93 -4.289 2.266 10.190 1.00 0.00 C ATOM 1396 SD MET A 93 -3.066 3.561 10.503 1.00 0.00 S ATOM 1397 CE MET A 93 -2.867 4.264 8.861 1.00 0.00 C ATOM 0 H MET A 93 -1.508 1.799 10.358 1.00 0.00 H new ATOM 0 HA MET A 93 -3.348 -0.347 10.886 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.197 1.537 8.484 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.574 0.547 8.926 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.153 2.703 9.689 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.640 1.868 11.142 1.00 0.00 H new ATOM 0 HE1 MET A 93 -2.238 5.152 8.919 1.00 0.00 H new ATOM 0 HE2 MET A 93 -2.398 3.530 8.205 1.00 0.00 H new ATOM 0 HE3 MET A 93 -3.844 4.536 8.461 1.00 0.00 H new ATOM 1407 N ALA A 94 -1.671 -0.554 7.997 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.169 -1.442 6.918 1.00 0.00 C ATOM 1409 C ALA A 94 -2.269 -2.394 6.344 1.00 0.00 C ATOM 1410 O ALA A 94 -2.391 -3.545 6.771 1.00 0.00 O ATOM 1411 CB ALA A 94 0.087 -2.208 7.371 1.00 0.00 C ATOM 0 H ALA A 94 -1.500 0.434 7.811 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.883 -0.797 6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.433 -2.851 6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.872 -1.498 7.632 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.153 -2.819 8.241 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.132 -1.877 5.413 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.151 -2.686 4.659 1.00 0.00 C ATOM 1419 C PRO A 95 -3.601 -3.944 3.906 1.00 0.00 C ATOM 1420 O PRO A 95 -2.386 -4.067 3.695 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.698 -1.649 3.643 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.574 -0.352 4.365 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.246 -0.434 5.073 1.00 0.00 C ATOM 0 HA PRO A 95 -4.880 -3.121 5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.120 -1.650 2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.733 -1.860 3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.603 0.490 3.674 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.392 -0.213 5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.427 -0.105 4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.225 0.193 5.965 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.509 -4.901 3.487 1.00 0.00 N ATOM 1432 CA PRO A 96 -4.121 -6.079 2.660 1.00 0.00 C ATOM 1433 C PRO A 96 -3.586 -5.676 1.257 1.00 0.00 C ATOM 1434 O PRO A 96 -4.368 -5.316 0.370 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.445 -6.905 2.546 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.328 -6.387 3.643 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.967 -4.929 3.800 1.00 0.00 C ATOM 0 HA PRO A 96 -3.302 -6.639 3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.910 -6.770 1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.255 -7.972 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.381 -6.505 3.387 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.162 -6.934 4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.537 -4.298 3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.169 -4.571 4.810 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.256 -5.734 1.076 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.592 -5.380 -0.202 1.00 0.00 C ATOM 1447 C VAL A 97 -1.379 -6.657 -1.060 1.00 0.00 C ATOM 1448 O VAL A 97 -1.030 -7.727 -0.548 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.232 -4.605 0.049 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.707 -5.357 1.024 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.501 -4.274 -1.279 1.00 0.00 C ATOM 0 H VAL A 97 -1.607 -6.026 1.806 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.241 -4.702 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.505 -3.663 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.624 -4.784 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.209 -5.481 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.950 -6.337 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.428 -3.743 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.729 -5.199 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.138 -3.647 -1.901 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.639 -6.528 -2.370 1.00 0.00 N ATOM 1462 CA VAL A 98 -1.672 -7.669 -3.310 1.00 0.00 C ATOM 1463 C VAL A 98 -0.241 -8.137 -3.751 1.00 0.00 C ATOM 1464 O VAL A 98 0.308 -7.687 -4.754 1.00 0.00 O ATOM 1465 CB VAL A 98 -2.619 -7.333 -4.532 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.195 -6.043 -5.288 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -2.754 -8.537 -5.487 1.00 0.00 C ATOM 0 H VAL A 98 -1.833 -5.630 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.093 -8.528 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.604 -7.128 -4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.881 -5.864 -6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.222 -5.195 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.183 -6.164 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.411 -8.272 -6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.771 -8.806 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.175 -9.385 -4.946 1.00 0.00 H new ATOM 1477 N LEU A 99 0.336 -9.073 -2.965 1.00 0.00 N ATOM 1478 CA LEU A 99 1.715 -9.627 -3.171 1.00 0.00 C ATOM 1479 C LEU A 99 1.899 -10.342 -4.539 1.00 0.00 C ATOM 1480 O LEU A 99 2.982 -10.281 -5.130 1.00 0.00 O ATOM 1481 CB LEU A 99 2.098 -10.582 -1.977 1.00 0.00 C ATOM 1482 CG LEU A 99 2.848 -9.920 -0.764 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.338 -9.669 -1.096 1.00 0.00 C ATOM 1484 CD2 LEU A 99 2.152 -8.617 -0.321 1.00 0.00 C ATOM 0 H LEU A 99 -0.139 -9.477 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 99 2.396 -8.776 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.184 -11.044 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.723 -11.384 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 99 2.806 -10.620 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.830 -9.211 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.824 -10.617 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.412 -9.003 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.694 -8.183 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.142 -7.910 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.128 -8.836 -0.018 1.00 0.00 H new ATOM 1496 N GLN A 100 0.838 -11.011 -5.034 1.00 0.00 N ATOM 1497 CA GLN A 100 0.864 -11.726 -6.344 1.00 0.00 C ATOM 1498 C GLN A 100 0.890 -10.762 -7.559 1.00 0.00 C ATOM 1499 O GLN A 100 1.118 -11.196 -8.693 1.00 0.00 O ATOM 1500 CB GLN A 100 -0.359 -12.679 -6.467 1.00 0.00 C ATOM 1501 CG GLN A 100 -1.739 -11.986 -6.393 1.00 0.00 C ATOM 1502 CD GLN A 100 -2.907 -12.929 -6.683 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -3.452 -13.563 -5.786 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -3.309 -13.022 -7.937 1.00 0.00 N ATOM 0 H GLN A 100 -0.057 -11.076 -4.549 1.00 0.00 H new ATOM 0 HA GLN A 100 1.790 -12.300 -6.362 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.289 -13.215 -7.414 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.301 -13.424 -5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.868 -11.554 -5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.762 -11.161 -7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.839 -12.484 -8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.090 -13.632 -8.178 1.00 0.00 H new ATOM 1513 N SER A 101 0.633 -9.464 -7.319 1.00 0.00 N ATOM 1514 CA SER A 101 0.539 -8.441 -8.391 1.00 0.00 C ATOM 1515 C SER A 101 1.431 -7.206 -8.114 1.00 0.00 C ATOM 1516 O SER A 101 1.549 -6.331 -8.976 1.00 0.00 O ATOM 1517 CB SER A 101 -0.936 -8.021 -8.566 1.00 0.00 C ATOM 1518 OG SER A 101 -1.757 -9.132 -8.918 1.00 0.00 O ATOM 0 H SER A 101 0.484 -9.089 -6.382 1.00 0.00 H new ATOM 0 HA SER A 101 0.910 -8.887 -9.314 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.301 -7.576 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.008 -7.255 -9.338 1.00 0.00 H new ATOM 0 HG SER A 101 -2.662 -8.993 -8.570 1.00 0.00 H new ATOM 1524 N THR A 102 2.049 -7.129 -6.912 1.00 0.00 N ATOM 1525 CA THR A 102 3.003 -6.038 -6.570 1.00 0.00 C ATOM 1526 C THR A 102 4.330 -6.236 -7.328 1.00 0.00 C ATOM 1527 O THR A 102 4.972 -7.283 -7.192 1.00 0.00 O ATOM 1528 CB THR A 102 3.282 -5.944 -5.019 1.00 0.00 C ATOM 1529 OG1 THR A 102 2.064 -5.657 -4.311 1.00 0.00 O ATOM 1530 CG2 THR A 102 4.322 -4.856 -4.661 1.00 0.00 C ATOM 0 H THR A 102 1.907 -7.806 -6.162 1.00 0.00 H new ATOM 0 HA THR A 102 2.538 -5.100 -6.875 1.00 0.00 H new ATOM 0 HB THR A 102 3.686 -6.912 -4.722 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.383 -6.320 -4.550 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.473 -4.838 -3.582 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.267 -5.079 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.960 -3.883 -4.993 1.00 0.00 H new ATOM 1538 N GLU A 103 4.708 -5.233 -8.145 1.00 0.00 N ATOM 1539 CA GLU A 103 5.969 -5.252 -8.919 1.00 0.00 C ATOM 1540 C GLU A 103 7.216 -5.240 -7.984 1.00 0.00 C ATOM 1541 O GLU A 103 7.172 -4.682 -6.883 1.00 0.00 O ATOM 1542 CB GLU A 103 6.018 -4.035 -9.894 1.00 0.00 C ATOM 1543 CG GLU A 103 7.259 -3.987 -10.812 1.00 0.00 C ATOM 1544 CD GLU A 103 7.434 -5.227 -11.697 1.00 0.00 C ATOM 1545 OE1 GLU A 103 6.644 -5.399 -12.644 1.00 0.00 O ATOM 1546 OE2 GLU A 103 8.370 -6.024 -11.447 1.00 0.00 O ATOM 0 H GLU A 103 4.152 -4.390 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 103 5.993 -6.177 -9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.124 -4.051 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.982 -3.117 -9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.191 -3.106 -11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.149 -3.866 -10.195 1.00 0.00 H new ATOM 1553 N LYS A 104 8.318 -5.857 -8.438 1.00 0.00 N ATOM 1554 CA LYS A 104 9.594 -5.889 -7.697 1.00 0.00 C ATOM 1555 C LYS A 104 10.231 -4.474 -7.631 1.00 0.00 C ATOM 1556 O LYS A 104 10.858 -4.118 -6.630 1.00 0.00 O ATOM 1557 CB LYS A 104 10.535 -6.943 -8.360 1.00 0.00 C ATOM 1558 CG LYS A 104 11.774 -7.389 -7.533 1.00 0.00 C ATOM 1559 CD LYS A 104 12.956 -6.386 -7.558 1.00 0.00 C ATOM 1560 CE LYS A 104 14.152 -6.872 -6.732 1.00 0.00 C ATOM 1561 NZ LYS A 104 14.721 -8.133 -7.280 1.00 0.00 N ATOM 0 H LYS A 104 8.352 -6.349 -9.331 1.00 0.00 H new ATOM 0 HA LYS A 104 9.421 -6.190 -6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.944 -7.829 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.887 -6.537 -9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.468 -7.545 -6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.121 -8.350 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.271 -6.226 -8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.620 -5.423 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.922 -6.101 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.841 -7.031 -5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.623 -8.342 -6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.055 -8.915 -7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.884 -8.025 -8.302 1.00 0.00 H new ATOM 1575 N SER A 105 10.051 -3.669 -8.695 1.00 0.00 N ATOM 1576 CA SER A 105 10.528 -2.256 -8.732 1.00 0.00 C ATOM 1577 C SER A 105 9.851 -1.385 -7.639 1.00 0.00 C ATOM 1578 O SER A 105 10.386 -0.341 -7.260 1.00 0.00 O ATOM 1579 CB SER A 105 10.332 -1.622 -10.130 1.00 0.00 C ATOM 1580 OG SER A 105 8.971 -1.434 -10.448 1.00 0.00 O ATOM 0 H SER A 105 9.578 -3.966 -9.548 1.00 0.00 H new ATOM 0 HA SER A 105 11.597 -2.284 -8.520 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.847 -0.662 -10.166 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.794 -2.260 -10.884 1.00 0.00 H new ATOM 0 HG SER A 105 8.777 -0.475 -10.501 1.00 0.00 H new ATOM 1586 N ALA A 106 8.651 -1.800 -7.172 1.00 0.00 N ATOM 1587 CA ALA A 106 7.959 -1.153 -6.024 1.00 0.00 C ATOM 1588 C ALA A 106 8.813 -1.186 -4.723 1.00 0.00 C ATOM 1589 O ALA A 106 8.821 -0.215 -3.957 1.00 0.00 O ATOM 1590 CB ALA A 106 6.595 -1.819 -5.777 1.00 0.00 C ATOM 0 H ALA A 106 8.136 -2.584 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 106 7.810 -0.106 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.101 -1.335 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.975 -1.719 -6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.741 -2.876 -5.554 1.00 0.00 H new ATOM 1596 N LEU A 107 9.567 -2.295 -4.520 1.00 0.00 N ATOM 1597 CA LEU A 107 10.468 -2.522 -3.333 1.00 0.00 C ATOM 1598 C LEU A 107 11.528 -1.391 -3.132 1.00 0.00 C ATOM 1599 O LEU A 107 12.148 -1.304 -2.067 1.00 0.00 O ATOM 1600 CB LEU A 107 11.201 -3.902 -3.451 1.00 0.00 C ATOM 1601 CG LEU A 107 10.401 -5.196 -3.070 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.058 -5.321 -3.819 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.278 -6.456 -3.292 1.00 0.00 C ATOM 0 H LEU A 107 9.575 -3.075 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 107 9.816 -2.514 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.543 -4.012 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.091 -3.862 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 107 10.152 -5.113 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.554 -6.237 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.429 -4.463 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.242 -5.352 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.710 -7.347 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.571 -6.515 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.170 -6.393 -2.669 1.00 0.00 H new ATOM 1615 N ARG A 108 11.704 -0.540 -4.152 1.00 0.00 N ATOM 1616 CA ARG A 108 12.663 0.599 -4.142 1.00 0.00 C ATOM 1617 C ARG A 108 12.335 1.634 -3.044 1.00 0.00 C ATOM 1618 O ARG A 108 13.227 2.244 -2.454 1.00 0.00 O ATOM 1619 CB ARG A 108 12.668 1.282 -5.547 1.00 0.00 C ATOM 1620 CG ARG A 108 13.480 0.545 -6.647 1.00 0.00 C ATOM 1621 CD ARG A 108 14.996 0.848 -6.576 1.00 0.00 C ATOM 1622 NE ARG A 108 15.606 0.443 -5.288 1.00 0.00 N ATOM 1623 CZ ARG A 108 16.404 1.184 -4.541 1.00 0.00 C ATOM 1624 NH1 ARG A 108 16.744 2.387 -4.892 1.00 0.00 N ATOM 1625 NH2 ARG A 108 16.841 0.707 -3.424 1.00 0.00 N ATOM 0 H ARG A 108 11.182 -0.615 -5.025 1.00 0.00 H new ATOM 0 HA ARG A 108 13.653 0.202 -3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.637 1.382 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.067 2.291 -5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.324 -0.529 -6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.102 0.835 -7.627 1.00 0.00 H new ATOM 0 HD2 ARG A 108 15.503 0.331 -7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 108 15.155 1.916 -6.728 1.00 0.00 H new ATOM 0 HE ARG A 108 15.390 -0.494 -4.947 1.00 0.00 H new ATOM 0 HH11 ARG A 108 16.393 2.782 -5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 108 17.362 2.937 -4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.569 -0.231 -3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 108 17.458 1.268 -2.837 1.00 0.00 H new ATOM 1639 N TYR A 109 11.037 1.806 -2.795 1.00 0.00 N ATOM 1640 CA TYR A 109 10.489 2.792 -1.837 1.00 0.00 C ATOM 1641 C TYR A 109 9.905 2.071 -0.604 1.00 0.00 C ATOM 1642 O TYR A 109 9.769 2.642 0.482 1.00 0.00 O ATOM 1643 CB TYR A 109 9.349 3.576 -2.545 1.00 0.00 C ATOM 1644 CG TYR A 109 9.807 4.490 -3.703 1.00 0.00 C ATOM 1645 CD1 TYR A 109 10.257 3.941 -4.911 1.00 0.00 C ATOM 1646 CD2 TYR A 109 9.797 5.886 -3.594 1.00 0.00 C ATOM 1647 CE1 TYR A 109 10.685 4.733 -5.955 1.00 0.00 C ATOM 1648 CE2 TYR A 109 10.222 6.689 -4.645 1.00 0.00 C ATOM 1649 CZ TYR A 109 10.663 6.106 -5.822 1.00 0.00 C ATOM 1650 OH TYR A 109 11.104 6.901 -6.862 1.00 0.00 O ATOM 0 H TYR A 109 10.314 1.256 -3.259 1.00 0.00 H new ATOM 0 HA TYR A 109 11.282 3.465 -1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 109 8.623 2.861 -2.932 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.833 4.186 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 109 10.269 2.867 -5.027 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.454 6.345 -2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.035 4.281 -6.871 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.209 7.764 -4.545 1.00 0.00 H new ATOM 0 HH TYR A 109 11.022 7.844 -6.610 1.00 0.00 H new ATOM 1660 N VAL A 110 9.586 0.799 -0.821 1.00 0.00 N ATOM 1661 CA VAL A 110 8.658 0.020 -0.003 1.00 0.00 C ATOM 1662 C VAL A 110 9.372 -1.074 0.837 1.00 0.00 C ATOM 1663 O VAL A 110 9.191 -1.132 2.056 1.00 0.00 O ATOM 1664 CB VAL A 110 7.609 -0.624 -0.987 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.760 -1.676 -0.318 1.00 0.00 C ATOM 1666 CG2 VAL A 110 6.700 0.447 -1.631 1.00 0.00 C ATOM 0 H VAL A 110 9.978 0.263 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 110 8.174 0.674 0.722 1.00 0.00 H new ATOM 0 HB VAL A 110 8.192 -1.110 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.054 -2.087 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.400 -2.474 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.212 -1.228 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 110 5.990 -0.035 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.157 0.980 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.311 1.152 -2.194 1.00 0.00 H new ATOM 1676 N SER A 111 10.198 -1.898 0.155 1.00 0.00 N ATOM 1677 CA SER A 111 10.801 -3.151 0.679 1.00 0.00 C ATOM 1678 C SER A 111 9.764 -4.293 0.846 1.00 0.00 C ATOM 1679 O SER A 111 8.629 -4.071 1.260 1.00 0.00 O ATOM 1680 CB SER A 111 11.591 -2.924 1.985 1.00 0.00 C ATOM 1681 OG SER A 111 12.587 -1.930 1.817 1.00 0.00 O ATOM 0 H SER A 111 10.475 -1.706 -0.808 1.00 0.00 H new ATOM 0 HA SER A 111 11.512 -3.473 -0.082 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.907 -2.626 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.056 -3.859 2.299 1.00 0.00 H new ATOM 0 HG SER A 111 13.071 -1.806 2.660 1.00 0.00 H new ATOM 1687 N LEU A 112 10.187 -5.523 0.512 1.00 0.00 N ATOM 1688 CA LEU A 112 9.339 -6.748 0.573 1.00 0.00 C ATOM 1689 C LEU A 112 8.832 -7.074 2.000 1.00 0.00 C ATOM 1690 O LEU A 112 7.695 -7.514 2.162 1.00 0.00 O ATOM 1691 CB LEU A 112 10.131 -7.938 -0.058 1.00 0.00 C ATOM 1692 CG LEU A 112 9.659 -9.422 0.233 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.003 -10.372 -0.941 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.276 -9.976 1.554 1.00 0.00 C ATOM 0 H LEU A 112 11.136 -5.708 0.187 1.00 0.00 H new ATOM 0 HA LEU A 112 8.433 -6.566 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.126 -7.798 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.167 -7.853 0.270 1.00 0.00 H new ATOM 0 HG LEU A 112 8.575 -9.384 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.664 -11.380 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.506 -10.025 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.081 -10.380 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.928 -10.996 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.363 -9.971 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.968 -9.349 2.390 1.00 0.00 H new ATOM 1706 N ALA A 113 9.690 -6.892 3.018 1.00 0.00 N ATOM 1707 CA ALA A 113 9.336 -7.184 4.436 1.00 0.00 C ATOM 1708 C ALA A 113 8.124 -6.342 4.910 1.00 0.00 C ATOM 1709 O ALA A 113 7.319 -6.798 5.722 1.00 0.00 O ATOM 1710 CB ALA A 113 10.549 -6.938 5.341 1.00 0.00 C ATOM 0 H ALA A 113 10.640 -6.543 2.894 1.00 0.00 H new ATOM 0 HA ALA A 113 9.048 -8.233 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.281 -7.154 6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.369 -7.588 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.861 -5.897 5.257 1.00 0.00 H new ATOM 1716 N ASP A 114 8.018 -5.122 4.364 1.00 0.00 N ATOM 1717 CA ASP A 114 6.884 -4.199 4.594 1.00 0.00 C ATOM 1718 C ASP A 114 5.546 -4.805 4.062 1.00 0.00 C ATOM 1719 O ASP A 114 4.490 -4.671 4.694 1.00 0.00 O ATOM 1720 CB ASP A 114 7.214 -2.859 3.890 1.00 0.00 C ATOM 1721 CG ASP A 114 6.301 -1.697 4.287 1.00 0.00 C ATOM 1722 OD1 ASP A 114 6.508 -1.141 5.385 1.00 0.00 O ATOM 1723 OD2 ASP A 114 5.401 -1.318 3.510 1.00 0.00 O ATOM 0 H ASP A 114 8.727 -4.737 3.739 1.00 0.00 H new ATOM 0 HA ASP A 114 6.746 -4.034 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 114 8.246 -2.588 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 114 7.150 -3.003 2.811 1.00 0.00 H new ATOM 1728 N LEU A 115 5.642 -5.520 2.919 1.00 0.00 N ATOM 1729 CA LEU A 115 4.498 -6.134 2.214 1.00 0.00 C ATOM 1730 C LEU A 115 4.007 -7.398 2.957 1.00 0.00 C ATOM 1731 O LEU A 115 2.819 -7.553 3.267 1.00 0.00 O ATOM 1732 CB LEU A 115 4.952 -6.528 0.782 1.00 0.00 C ATOM 1733 CG LEU A 115 5.512 -5.378 -0.104 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.091 -5.908 -1.428 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.439 -4.320 -0.371 1.00 0.00 C ATOM 0 H LEU A 115 6.534 -5.689 2.453 1.00 0.00 H new ATOM 0 HA LEU A 115 3.678 -5.417 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.718 -7.299 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.103 -6.976 0.265 1.00 0.00 H new ATOM 0 HG LEU A 115 6.327 -4.911 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.472 -5.074 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.903 -6.604 -1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.309 -6.421 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.856 -3.527 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.596 -4.779 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.100 -3.899 0.575 1.00 0.00 H new ATOM 1747 N GLN A 116 4.973 -8.287 3.237 1.00 0.00 N ATOM 1748 CA GLN A 116 4.739 -9.617 3.846 1.00 0.00 C ATOM 1749 C GLN A 116 4.325 -9.518 5.325 1.00 0.00 C ATOM 1750 O GLN A 116 3.731 -10.450 5.876 1.00 0.00 O ATOM 1751 CB GLN A 116 6.006 -10.490 3.692 1.00 0.00 C ATOM 1752 CG GLN A 116 6.501 -10.616 2.235 1.00 0.00 C ATOM 1753 CD GLN A 116 7.367 -11.862 1.989 1.00 0.00 C ATOM 1754 OE1 GLN A 116 8.106 -12.300 2.866 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.284 -12.443 0.803 1.00 0.00 N ATOM 0 H GLN A 116 5.958 -8.104 3.045 1.00 0.00 H new ATOM 0 HA GLN A 116 3.908 -10.084 3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.804 -10.067 4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.800 -11.486 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.640 -10.644 1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.076 -9.727 1.976 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.663 -12.061 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.841 -13.273 0.602 1.00 0.00 H new ATOM 1764 N ALA A 117 4.690 -8.394 5.958 1.00 0.00 N ATOM 1765 CA ALA A 117 4.235 -8.019 7.323 1.00 0.00 C ATOM 1766 C ALA A 117 2.688 -8.111 7.516 1.00 0.00 C ATOM 1767 O ALA A 117 2.211 -8.331 8.634 1.00 0.00 O ATOM 1768 CB ALA A 117 4.713 -6.601 7.640 1.00 0.00 C ATOM 0 H ALA A 117 5.316 -7.706 5.540 1.00 0.00 H new ATOM 0 HA ALA A 117 4.672 -8.742 8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.382 -6.321 8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.801 -6.565 7.595 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.296 -5.905 6.912 1.00 0.00 H new ATOM 1774 N HIS A 118 1.916 -7.916 6.423 1.00 0.00 N ATOM 1775 CA HIS A 118 0.429 -8.061 6.427 1.00 0.00 C ATOM 1776 C HIS A 118 -0.076 -8.991 5.285 1.00 0.00 C ATOM 1777 O HIS A 118 -1.250 -8.924 4.896 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.254 -6.652 6.361 1.00 0.00 C ATOM 1779 CG HIS A 118 -0.773 -6.158 7.691 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -0.047 -5.362 8.549 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -1.961 -6.376 8.309 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -0.768 -5.102 9.622 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -1.931 -5.704 9.505 1.00 0.00 N ATOM 0 H HIS A 118 2.297 -7.655 5.514 1.00 0.00 H new ATOM 0 HA HIS A 118 0.146 -8.541 7.364 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.463 -5.930 5.972 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.081 -6.693 5.652 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.780 -6.969 7.929 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -0.455 -4.495 10.459 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -2.686 -5.676 10.190 1.00 0.00 H new ATOM 1792 N ALA A 119 0.803 -9.873 4.783 1.00 0.00 N ATOM 1793 CA ALA A 119 0.436 -10.910 3.785 1.00 0.00 C ATOM 1794 C ALA A 119 1.230 -12.215 4.039 1.00 0.00 C ATOM 1795 O ALA A 119 1.781 -12.409 5.130 1.00 0.00 O ATOM 1796 CB ALA A 119 0.676 -10.365 2.370 1.00 0.00 C ATOM 0 H ALA A 119 1.787 -9.894 5.052 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.622 -11.153 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.407 -11.125 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.064 -9.477 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.728 -10.105 2.254 1.00 0.00 H new