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 -64:sc= 0.645 USER MOD Single : A 42 CYS SG : rot 65:sc= 0.648 USER MOD Single : A 45 MET CE :methyl 169:sc= -0.82 (180deg=-1.65) USER MOD Single : A 46 THR OG1 : rot -174:sc= -1.54! USER MOD Single : A 53 SER OG : rot -170:sc= -0.341 USER MOD Single : A 79 CYS SG : rot -43:sc= -0.177 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 : amide:sc= -0.166 K(o=-0.17,f=-5.7!) USER MOD Single : A 93 MET CE :methyl -166:sc= -0.0165 (180deg=-0.273) USER MOD Single : A 100 GLN : amide:sc= -0.28 K(o=-0.28,f=-5.3!) USER MOD Single : A 101 SER OG : rot 70:sc= 0.529 USER MOD Single : A 102 THR OG1 : rot 120:sc= 0.391 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 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= -0.098 X(o=-0.098,f=-0.33) USER MOD Single : A 118 HIS : no HD1:sc= -0.225 K(o=-0.22,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 567 N THR A 40 6.333 1.662 -11.412 1.00 0.00 N ATOM 568 CA THR A 40 5.244 0.678 -11.583 1.00 0.00 C ATOM 569 C THR A 40 4.960 -0.079 -10.263 1.00 0.00 C ATOM 570 O THR A 40 5.835 -0.757 -9.713 1.00 0.00 O ATOM 571 CB THR A 40 5.569 -0.312 -12.754 1.00 0.00 C ATOM 572 OG1 THR A 40 4.508 -1.253 -12.925 1.00 0.00 O ATOM 573 CG2 THR A 40 6.915 -1.052 -12.590 1.00 0.00 C ATOM 0 HA THR A 40 4.336 1.220 -11.847 1.00 0.00 H new ATOM 0 HB THR A 40 5.665 0.305 -13.648 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.429 -1.807 -12.120 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.070 -1.718 -13.439 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.727 -0.326 -12.546 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.900 -1.635 -11.669 1.00 0.00 H new ATOM 581 N VAL A 41 3.738 0.097 -9.719 1.00 0.00 N ATOM 582 CA VAL A 41 3.307 -0.537 -8.450 1.00 0.00 C ATOM 583 C VAL A 41 1.836 -1.017 -8.573 1.00 0.00 C ATOM 584 O VAL A 41 0.907 -0.196 -8.598 1.00 0.00 O ATOM 585 CB VAL A 41 3.421 0.455 -7.219 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.031 -0.249 -5.883 1.00 0.00 C ATOM 587 CG2 VAL A 41 4.824 1.131 -7.116 1.00 0.00 C ATOM 0 H VAL A 41 3.020 0.683 -10.145 1.00 0.00 H new ATOM 0 HA VAL A 41 3.971 -1.382 -8.270 1.00 0.00 H new ATOM 0 HB VAL A 41 2.704 1.256 -7.400 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.120 0.459 -5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.003 -0.605 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.697 -1.094 -5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.844 1.799 -6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.590 0.364 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.020 1.702 -8.023 1.00 0.00 H new ATOM 597 N CYS A 42 1.626 -2.338 -8.694 1.00 0.00 N ATOM 598 CA CYS A 42 0.280 -2.935 -8.575 1.00 0.00 C ATOM 599 C CYS A 42 0.098 -3.426 -7.129 1.00 0.00 C ATOM 600 O CYS A 42 0.672 -4.435 -6.720 1.00 0.00 O ATOM 601 CB CYS A 42 0.102 -4.109 -9.566 1.00 0.00 C ATOM 602 SG CYS A 42 0.327 -3.657 -11.303 1.00 0.00 S ATOM 0 H CYS A 42 2.368 -3.014 -8.874 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.473 -2.186 -8.818 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.814 -4.895 -9.312 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.896 -4.529 -9.438 1.00 0.00 H new ATOM 0 HG CYS A 42 1.560 -3.297 -11.502 1.00 0.00 H new ATOM 608 N ALA A 43 -0.706 -2.683 -6.366 1.00 0.00 N ATOM 609 CA ALA A 43 -1.005 -2.970 -4.951 1.00 0.00 C ATOM 610 C ALA A 43 -2.458 -2.574 -4.663 1.00 0.00 C ATOM 611 O ALA A 43 -2.980 -1.655 -5.297 1.00 0.00 O ATOM 612 CB ALA A 43 -0.024 -2.210 -4.040 1.00 0.00 C ATOM 0 H ALA A 43 -1.179 -1.849 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.884 -4.034 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.253 -2.428 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.996 -2.524 -4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.120 -1.139 -4.216 1.00 0.00 H new ATOM 618 N GLU A 44 -3.116 -3.250 -3.712 1.00 0.00 N ATOM 619 CA GLU A 44 -4.539 -2.994 -3.418 1.00 0.00 C ATOM 620 C GLU A 44 -4.727 -2.612 -1.939 1.00 0.00 C ATOM 621 O GLU A 44 -4.362 -3.376 -1.043 1.00 0.00 O ATOM 622 CB GLU A 44 -5.397 -4.229 -3.793 1.00 0.00 C ATOM 623 CG GLU A 44 -6.875 -3.902 -3.983 1.00 0.00 C ATOM 624 CD GLU A 44 -7.703 -5.106 -4.459 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.640 -5.442 -5.659 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.426 -5.714 -3.644 1.00 0.00 O ATOM 0 H GLU A 44 -2.692 -3.975 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.875 -2.153 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.008 -4.667 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.296 -4.983 -3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.284 -3.537 -3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.972 -3.093 -4.707 1.00 0.00 H new ATOM 633 N MET A 45 -5.245 -1.391 -1.695 1.00 0.00 N ATOM 634 CA MET A 45 -5.530 -0.874 -0.347 1.00 0.00 C ATOM 635 C MET A 45 -7.056 -0.774 -0.094 1.00 0.00 C ATOM 636 O MET A 45 -7.851 -0.684 -1.034 1.00 0.00 O ATOM 637 CB MET A 45 -4.854 0.509 -0.187 1.00 0.00 C ATOM 638 CG MET A 45 -3.361 0.528 -0.579 1.00 0.00 C ATOM 639 SD MET A 45 -2.596 2.134 -0.305 1.00 0.00 S ATOM 640 CE MET A 45 -2.859 2.302 1.449 1.00 0.00 C ATOM 0 H MET A 45 -5.478 -0.732 -2.438 1.00 0.00 H new ATOM 0 HA MET A 45 -5.127 -1.565 0.393 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.389 1.236 -0.798 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.951 0.831 0.850 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.828 -0.228 -0.002 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.261 0.256 -1.630 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.280 3.145 1.825 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.918 2.474 1.643 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.541 1.390 1.954 1.00 0.00 H new ATOM 650 N THR A 46 -7.443 -0.764 1.193 1.00 0.00 N ATOM 651 CA THR A 46 -8.858 -0.724 1.632 1.00 0.00 C ATOM 652 C THR A 46 -9.295 0.715 1.961 1.00 0.00 C ATOM 653 O THR A 46 -8.461 1.573 2.276 1.00 0.00 O ATOM 654 CB THR A 46 -9.093 -1.616 2.900 1.00 0.00 C ATOM 655 OG1 THR A 46 -8.119 -1.286 3.893 1.00 0.00 O ATOM 656 CG2 THR A 46 -9.011 -3.121 2.610 1.00 0.00 C ATOM 0 H THR A 46 -6.781 -0.784 1.968 1.00 0.00 H new ATOM 0 HA THR A 46 -9.452 -1.110 0.804 1.00 0.00 H new ATOM 0 HB THR A 46 -10.105 -1.409 3.247 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.201 -1.903 4.650 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.183 -3.679 3.531 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.769 -3.392 1.875 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.023 -3.363 2.219 1.00 0.00 H new ATOM 664 N GLU A 47 -10.621 0.947 1.938 1.00 0.00 N ATOM 665 CA GLU A 47 -11.213 2.277 2.190 1.00 0.00 C ATOM 666 C GLU A 47 -10.914 2.780 3.613 1.00 0.00 C ATOM 667 O GLU A 47 -10.845 3.965 3.816 1.00 0.00 O ATOM 668 CB GLU A 47 -12.747 2.285 1.923 1.00 0.00 C ATOM 669 CG GLU A 47 -13.340 3.696 1.692 1.00 0.00 C ATOM 670 CD GLU A 47 -14.858 3.692 1.448 1.00 0.00 C ATOM 671 OE1 GLU A 47 -15.296 3.242 0.370 1.00 0.00 O ATOM 672 OE2 GLU A 47 -15.624 4.132 2.333 1.00 0.00 O ATOM 0 H GLU A 47 -11.311 0.221 1.745 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.742 2.963 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.956 1.667 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.255 1.823 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.121 4.320 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.844 4.154 0.836 1.00 0.00 H new ATOM 679 N GLU A 48 -10.746 1.860 4.583 1.00 0.00 N ATOM 680 CA GLU A 48 -10.476 2.207 6.005 1.00 0.00 C ATOM 681 C GLU A 48 -9.269 3.190 6.169 1.00 0.00 C ATOM 682 O GLU A 48 -9.365 4.165 6.920 1.00 0.00 O ATOM 683 CB GLU A 48 -10.265 0.905 6.835 1.00 0.00 C ATOM 684 CG GLU A 48 -8.983 0.113 6.501 1.00 0.00 C ATOM 685 CD GLU A 48 -8.922 -1.272 7.158 1.00 0.00 C ATOM 686 OE1 GLU A 48 -9.499 -2.227 6.593 1.00 0.00 O ATOM 687 OE2 GLU A 48 -8.310 -1.411 8.233 1.00 0.00 O ATOM 0 H GLU A 48 -10.792 0.856 4.410 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.348 2.737 6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.246 1.167 7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.125 0.253 6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.911 -0.005 5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.116 0.693 6.817 1.00 0.00 H new ATOM 694 N PHE A 49 -8.137 2.930 5.458 1.00 0.00 N ATOM 695 CA PHE A 49 -6.986 3.874 5.418 1.00 0.00 C ATOM 696 C PHE A 49 -7.230 5.048 4.432 1.00 0.00 C ATOM 697 O PHE A 49 -6.808 6.178 4.684 1.00 0.00 O ATOM 698 CB PHE A 49 -5.643 3.167 5.078 1.00 0.00 C ATOM 699 CG PHE A 49 -4.457 4.156 5.027 1.00 0.00 C ATOM 700 CD1 PHE A 49 -3.929 4.704 6.201 1.00 0.00 C ATOM 701 CD2 PHE A 49 -3.916 4.579 3.808 1.00 0.00 C ATOM 702 CE1 PHE A 49 -2.895 5.627 6.155 1.00 0.00 C ATOM 703 CE2 PHE A 49 -2.886 5.505 3.765 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.374 6.027 4.937 1.00 0.00 C ATOM 0 H PHE A 49 -7.998 2.081 4.909 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.905 4.279 6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.441 2.398 5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.734 2.662 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.332 4.404 7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.308 4.177 2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.495 6.035 7.072 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.483 5.819 2.814 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.569 6.746 4.903 1.00 0.00 H new ATOM 714 N LEU A 50 -7.869 4.774 3.288 1.00 0.00 N ATOM 715 CA LEU A 50 -8.114 5.804 2.235 1.00 0.00 C ATOM 716 C LEU A 50 -9.135 6.889 2.716 1.00 0.00 C ATOM 717 O LEU A 50 -9.182 8.005 2.186 1.00 0.00 O ATOM 718 CB LEU A 50 -8.464 5.115 0.873 1.00 0.00 C ATOM 719 CG LEU A 50 -7.224 4.575 0.061 1.00 0.00 C ATOM 720 CD1 LEU A 50 -6.373 3.581 0.871 1.00 0.00 C ATOM 721 CD2 LEU A 50 -7.648 3.955 -1.281 1.00 0.00 C ATOM 0 H LEU A 50 -8.232 3.850 3.055 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.198 6.366 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.142 4.284 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.004 5.828 0.250 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.599 5.444 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.534 3.242 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.997 4.071 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.985 2.725 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.766 3.595 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.327 3.122 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.152 4.708 -1.887 1.00 0.00 H new ATOM 733 N LEU A 51 -9.925 6.529 3.749 1.00 0.00 N ATOM 734 CA LEU A 51 -10.778 7.461 4.516 1.00 0.00 C ATOM 735 C LEU A 51 -9.923 8.354 5.448 1.00 0.00 C ATOM 736 O LEU A 51 -10.337 9.456 5.754 1.00 0.00 O ATOM 737 CB LEU A 51 -11.857 6.701 5.345 1.00 0.00 C ATOM 738 CG LEU A 51 -13.023 6.060 4.534 1.00 0.00 C ATOM 739 CD1 LEU A 51 -13.958 5.225 5.436 1.00 0.00 C ATOM 740 CD2 LEU A 51 -13.808 7.129 3.744 1.00 0.00 C ATOM 0 H LEU A 51 -9.989 5.566 4.079 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.291 8.097 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.361 5.914 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.284 7.395 6.069 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.578 5.375 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.758 4.795 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.389 4.424 5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.389 5.866 6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.615 6.651 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.227 7.859 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.137 7.633 3.048 1.00 0.00 H new ATOM 752 N PHE A 52 -8.766 7.843 5.948 1.00 0.00 N ATOM 753 CA PHE A 52 -7.762 8.689 6.663 1.00 0.00 C ATOM 754 C PHE A 52 -7.159 9.743 5.713 1.00 0.00 C ATOM 755 O PHE A 52 -7.086 10.917 6.062 1.00 0.00 O ATOM 756 CB PHE A 52 -6.612 7.846 7.301 1.00 0.00 C ATOM 757 CG PHE A 52 -6.984 7.119 8.582 1.00 0.00 C ATOM 758 CD1 PHE A 52 -7.666 7.788 9.604 1.00 0.00 C ATOM 759 CD2 PHE A 52 -6.642 5.780 8.780 1.00 0.00 C ATOM 760 CE1 PHE A 52 -7.991 7.142 10.777 1.00 0.00 C ATOM 761 CE2 PHE A 52 -6.971 5.149 9.958 1.00 0.00 C ATOM 762 CZ PHE A 52 -7.644 5.824 10.952 1.00 0.00 C ATOM 0 H PHE A 52 -8.504 6.860 5.872 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.299 9.186 7.471 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.271 7.112 6.570 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.769 8.506 7.507 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.941 8.824 9.472 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.118 5.238 8.007 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.518 7.671 11.558 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.699 4.114 10.104 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.899 5.317 11.871 1.00 0.00 H new ATOM 772 N SER A 53 -6.739 9.304 4.503 1.00 0.00 N ATOM 773 CA SER A 53 -6.213 10.212 3.442 1.00 0.00 C ATOM 774 C SER A 53 -7.228 11.339 3.099 1.00 0.00 C ATOM 775 O SER A 53 -6.850 12.482 2.808 1.00 0.00 O ATOM 776 CB SER A 53 -5.876 9.395 2.170 1.00 0.00 C ATOM 777 OG SER A 53 -5.393 10.220 1.119 1.00 0.00 O ATOM 0 H SER A 53 -6.752 8.321 4.231 1.00 0.00 H new ATOM 0 HA SER A 53 -5.307 10.685 3.822 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.127 8.641 2.412 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.767 8.864 1.834 1.00 0.00 H new ATOM 0 HG SER A 53 -5.342 9.698 0.291 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.693 2.619 -3.461 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.567 1.474 -2.516 1.00 0.00 C ATOM 1111 C ALA A 74 -10.884 0.153 -3.255 1.00 0.00 C ATOM 1112 O ALA A 74 -11.854 0.082 -4.023 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.480 1.603 -1.293 1.00 0.00 C ATOM 0 HA ALA A 74 -9.540 1.476 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.342 0.739 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.229 2.512 -0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.519 1.650 -1.618 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.077 -0.896 -2.994 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.179 -2.176 -3.714 1.00 0.00 C ATOM 1121 C GLY A 75 -9.747 -2.077 -5.183 1.00 0.00 C ATOM 1122 O GLY A 75 -10.194 -2.859 -6.031 1.00 0.00 O ATOM 0 H GLY A 75 -9.344 -0.878 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.562 -2.920 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.209 -2.531 -3.667 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.866 -1.104 -5.473 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.285 -0.895 -6.815 1.00 0.00 C ATOM 1128 C ASP A 76 -6.786 -1.270 -6.808 1.00 0.00 C ATOM 1129 O ASP A 76 -5.989 -0.650 -6.090 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.459 0.588 -7.238 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.928 1.024 -7.314 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.616 0.632 -8.277 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.402 1.751 -6.414 1.00 0.00 O ATOM 0 H ASP A 76 -8.533 -0.434 -4.779 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.804 -1.533 -7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.933 1.226 -6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.990 0.740 -8.210 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.406 -2.312 -7.571 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.987 -2.646 -7.799 1.00 0.00 C ATOM 1140 C ARG A 77 -4.567 -2.078 -9.174 1.00 0.00 C ATOM 1141 O ARG A 77 -4.586 -2.785 -10.186 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.800 -4.191 -7.758 1.00 0.00 C ATOM 1143 CG ARG A 77 -3.334 -4.673 -7.944 1.00 0.00 C ATOM 1144 CD ARG A 77 -3.218 -6.170 -8.276 1.00 0.00 C ATOM 1145 NE ARG A 77 -3.928 -6.513 -9.534 1.00 0.00 N ATOM 1146 CZ ARG A 77 -3.495 -7.334 -10.473 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -2.327 -7.877 -10.412 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -4.238 -7.572 -11.501 1.00 0.00 N ATOM 0 H ARG A 77 -7.062 -2.937 -8.040 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.361 -2.208 -7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.172 -4.563 -6.803 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.417 -4.639 -8.537 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.868 -4.095 -8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.774 -4.467 -7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.166 -6.442 -8.367 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.629 -6.757 -7.455 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.835 -6.073 -9.687 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.712 -7.676 -9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.019 -8.508 -11.152 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.152 -7.127 -11.584 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.911 -8.205 -12.231 1.00 0.00 H new ATOM 1162 N TRP A 78 -4.176 -0.787 -9.196 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.827 -0.058 -10.453 1.00 0.00 C ATOM 1164 C TRP A 78 -2.944 1.159 -10.122 1.00 0.00 C ATOM 1165 O TRP A 78 -3.424 2.081 -9.466 1.00 0.00 O ATOM 1166 CB TRP A 78 -5.103 0.487 -11.196 1.00 0.00 C ATOM 1167 CG TRP A 78 -6.089 -0.554 -11.688 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -7.315 -0.862 -11.144 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -5.923 -1.429 -12.818 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -7.908 -1.862 -11.864 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -7.082 -2.223 -12.899 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -4.913 -1.613 -13.769 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -7.261 -3.189 -13.890 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -5.089 -2.569 -14.753 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -6.255 -3.348 -14.808 1.00 0.00 C ATOM 0 H TRP A 78 -4.091 -0.216 -8.355 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.310 -0.771 -11.095 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.628 1.164 -10.522 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.775 1.078 -12.051 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.745 -0.384 -10.276 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -8.819 -2.274 -11.664 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -4.012 -1.019 -13.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -8.158 -3.789 -13.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -4.316 -2.719 -15.492 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -6.362 -4.087 -15.588 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.681 1.169 -10.622 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.717 2.316 -10.478 1.00 0.00 C ATOM 1188 C CYS A 79 -0.696 2.926 -9.040 1.00 0.00 C ATOM 1189 O CYS A 79 -0.479 4.137 -8.855 1.00 0.00 O ATOM 1190 CB CYS A 79 -1.032 3.402 -11.543 1.00 0.00 C ATOM 1191 SG CYS A 79 0.191 4.742 -11.647 1.00 0.00 S ATOM 0 H CYS A 79 -1.291 0.382 -11.141 1.00 0.00 H new ATOM 0 HA CYS A 79 0.285 1.921 -10.646 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.109 2.923 -12.519 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.008 3.835 -11.323 1.00 0.00 H new ATOM 0 HG CYS A 79 0.532 5.112 -10.448 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.897 2.049 -8.031 1.00 0.00 N ATOM 1198 CA LEU A 80 -1.032 2.439 -6.614 1.00 0.00 C ATOM 1199 C LEU A 80 0.274 3.098 -6.122 1.00 0.00 C ATOM 1200 O LEU A 80 1.342 2.511 -6.233 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.416 1.177 -5.753 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.693 1.352 -4.204 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.403 1.407 -3.350 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.603 2.569 -3.924 1.00 0.00 C ATOM 0 H LEU A 80 -0.970 1.043 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.830 3.173 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.308 0.736 -6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.612 0.449 -5.862 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.223 0.451 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.667 1.528 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.158 0.482 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.209 2.250 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.772 2.658 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.122 3.475 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.558 2.433 -4.431 1.00 0.00 H new ATOM 1216 N CYS A 81 0.174 4.334 -5.611 1.00 0.00 N ATOM 1217 CA CYS A 81 1.330 5.057 -5.047 1.00 0.00 C ATOM 1218 C CYS A 81 1.885 4.293 -3.822 1.00 0.00 C ATOM 1219 O CYS A 81 1.258 4.284 -2.754 1.00 0.00 O ATOM 1220 CB CYS A 81 0.912 6.494 -4.673 1.00 0.00 C ATOM 1221 SG CYS A 81 0.223 7.440 -6.058 1.00 0.00 S ATOM 0 H CYS A 81 -0.700 4.859 -5.576 1.00 0.00 H new ATOM 0 HA CYS A 81 2.124 5.117 -5.791 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.174 6.451 -3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.779 7.024 -4.279 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.101 8.631 -5.651 1.00 0.00 H new ATOM 1227 N ALA A 82 3.047 3.623 -4.016 1.00 0.00 N ATOM 1228 CA ALA A 82 3.715 2.792 -2.981 1.00 0.00 C ATOM 1229 C ALA A 82 3.998 3.576 -1.677 1.00 0.00 C ATOM 1230 O ALA A 82 4.093 2.984 -0.607 1.00 0.00 O ATOM 1231 CB ALA A 82 5.021 2.193 -3.534 1.00 0.00 C ATOM 0 H ALA A 82 3.552 3.643 -4.902 1.00 0.00 H new ATOM 0 HA ALA A 82 3.024 1.988 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.498 1.587 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.797 1.569 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.693 2.998 -3.831 1.00 0.00 H new ATOM 1237 N SER A 83 4.135 4.909 -1.800 1.00 0.00 N ATOM 1238 CA SER A 83 4.261 5.831 -0.649 1.00 0.00 C ATOM 1239 C SER A 83 3.041 5.754 0.310 1.00 0.00 C ATOM 1240 O SER A 83 3.213 5.747 1.528 1.00 0.00 O ATOM 1241 CB SER A 83 4.436 7.278 -1.162 1.00 0.00 C ATOM 1242 OG SER A 83 5.618 7.405 -1.942 1.00 0.00 O ATOM 0 H SER A 83 4.162 5.382 -2.703 1.00 0.00 H new ATOM 0 HA SER A 83 5.138 5.525 -0.079 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.570 7.563 -1.760 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.479 7.964 -0.316 1.00 0.00 H new ATOM 0 HG SER A 83 5.705 8.329 -2.256 1.00 0.00 H new ATOM 1248 N ARG A 84 1.820 5.686 -0.263 1.00 0.00 N ATOM 1249 CA ARG A 84 0.547 5.611 0.510 1.00 0.00 C ATOM 1250 C ARG A 84 0.386 4.254 1.232 1.00 0.00 C ATOM 1251 O ARG A 84 -0.079 4.210 2.377 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.663 5.864 -0.431 1.00 0.00 C ATOM 1253 CG ARG A 84 -0.685 7.267 -1.077 1.00 0.00 C ATOM 1254 CD ARG A 84 -0.816 8.398 -0.037 1.00 0.00 C ATOM 1255 NE ARG A 84 -0.807 9.732 -0.668 1.00 0.00 N ATOM 1256 CZ ARG A 84 -1.776 10.621 -0.606 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -2.862 10.391 0.057 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -1.652 11.744 -1.223 1.00 0.00 N ATOM 0 H ARG A 84 1.682 5.681 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 84 0.581 6.386 1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.657 5.113 -1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.584 5.723 0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.229 7.412 -1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.517 7.326 -1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.741 8.269 0.525 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.004 8.330 0.678 1.00 0.00 H new ATOM 0 HE ARG A 84 0.025 9.988 -1.200 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.982 9.505 0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.598 11.096 0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.806 11.942 -1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.400 12.436 -1.178 1.00 0.00 H new ATOM 1272 N TRP A 85 0.762 3.153 0.549 1.00 0.00 N ATOM 1273 CA TRP A 85 0.754 1.800 1.152 1.00 0.00 C ATOM 1274 C TRP A 85 1.789 1.724 2.315 1.00 0.00 C ATOM 1275 O TRP A 85 1.446 1.322 3.439 1.00 0.00 O ATOM 1276 CB TRP A 85 0.996 0.702 0.064 1.00 0.00 C ATOM 1277 CG TRP A 85 1.533 -0.591 0.630 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.719 -1.169 0.325 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.941 -1.414 1.654 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.937 -2.252 1.125 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.853 -2.440 1.932 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.251 -1.377 2.364 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.613 -3.413 2.886 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.487 -2.345 3.304 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.440 -3.355 3.561 1.00 0.00 C ATOM 0 H TRP A 85 1.076 3.173 -0.421 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.230 1.605 1.578 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.059 0.502 -0.455 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.696 1.084 -0.679 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.396 -0.822 -0.442 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.777 -2.830 1.121 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.978 -0.600 2.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.335 -4.191 3.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.413 -2.326 3.859 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.219 -4.102 4.309 1.00 0.00 H new ATOM 1296 N GLN A 86 3.045 2.086 2.004 1.00 0.00 N ATOM 1297 CA GLN A 86 4.141 2.201 2.994 1.00 0.00 C ATOM 1298 C GLN A 86 3.735 3.024 4.244 1.00 0.00 C ATOM 1299 O GLN A 86 4.010 2.630 5.384 1.00 0.00 O ATOM 1300 CB GLN A 86 5.384 2.833 2.308 1.00 0.00 C ATOM 1301 CG GLN A 86 6.667 2.923 3.170 1.00 0.00 C ATOM 1302 CD GLN A 86 6.944 1.682 4.026 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.709 0.566 3.609 1.00 0.00 O ATOM 1304 NE2 GLN A 86 7.353 1.879 5.258 1.00 0.00 N ATOM 0 H GLN A 86 3.335 2.310 1.052 1.00 0.00 H new ATOM 0 HA GLN A 86 4.377 1.197 3.348 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.612 2.255 1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.120 3.838 1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.520 3.094 2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.590 3.791 3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.544 2.825 5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.479 1.086 5.886 1.00 0.00 H new ATOM 1313 N GLU A 87 3.050 4.150 4.000 1.00 0.00 N ATOM 1314 CA GLU A 87 2.571 5.049 5.070 1.00 0.00 C ATOM 1315 C GLU A 87 1.467 4.387 5.926 1.00 0.00 C ATOM 1316 O GLU A 87 1.394 4.637 7.124 1.00 0.00 O ATOM 1317 CB GLU A 87 2.055 6.382 4.465 1.00 0.00 C ATOM 1318 CG GLU A 87 1.626 7.443 5.499 1.00 0.00 C ATOM 1319 CD GLU A 87 1.187 8.766 4.847 1.00 0.00 C ATOM 1320 OE1 GLU A 87 2.056 9.630 4.594 1.00 0.00 O ATOM 1321 OE2 GLU A 87 -0.019 8.941 4.569 1.00 0.00 O ATOM 0 H GLU A 87 2.811 4.466 3.060 1.00 0.00 H new ATOM 0 HA GLU A 87 3.416 5.257 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.838 6.805 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.207 6.165 3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.806 7.049 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.455 7.636 6.180 1.00 0.00 H new ATOM 1328 N ALA A 88 0.622 3.531 5.301 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.469 2.821 6.007 1.00 0.00 C ATOM 1330 C ALA A 88 0.087 1.796 7.011 1.00 0.00 C ATOM 1331 O ALA A 88 -0.481 1.605 8.091 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.422 2.140 5.017 1.00 0.00 C ATOM 0 H ALA A 88 0.677 3.316 4.305 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.034 3.569 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.212 1.627 5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.864 2.891 4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.869 1.417 4.418 1.00 0.00 H new ATOM 1338 N PHE A 89 1.197 1.138 6.627 1.00 0.00 N ATOM 1339 CA PHE A 89 1.981 0.281 7.538 1.00 0.00 C ATOM 1340 C PHE A 89 2.469 1.095 8.767 1.00 0.00 C ATOM 1341 O PHE A 89 2.244 0.703 9.918 1.00 0.00 O ATOM 1342 CB PHE A 89 3.182 -0.349 6.773 1.00 0.00 C ATOM 1343 CG PHE A 89 4.164 -1.111 7.675 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.871 -2.396 8.126 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.363 -0.525 8.097 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.743 -3.067 8.959 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.227 -1.202 8.933 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.918 -2.474 9.361 1.00 0.00 C ATOM 0 H PHE A 89 1.575 1.185 5.681 1.00 0.00 H new ATOM 0 HA PHE A 89 1.343 -0.524 7.903 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.799 -1.030 6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.722 0.441 6.251 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.951 -2.872 7.820 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.615 0.471 7.764 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.502 -4.064 9.298 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.147 -0.734 9.252 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.597 -3.005 10.011 1.00 0.00 H new ATOM 1358 N GLU A 90 3.116 2.236 8.484 1.00 0.00 N ATOM 1359 CA GLU A 90 3.653 3.158 9.517 1.00 0.00 C ATOM 1360 C GLU A 90 2.528 3.823 10.360 1.00 0.00 C ATOM 1361 O GLU A 90 2.757 4.225 11.505 1.00 0.00 O ATOM 1362 CB GLU A 90 4.536 4.234 8.823 1.00 0.00 C ATOM 1363 CG GLU A 90 5.767 3.664 8.078 1.00 0.00 C ATOM 1364 CD GLU A 90 6.574 4.735 7.318 1.00 0.00 C ATOM 1365 OE1 GLU A 90 7.245 5.560 7.971 1.00 0.00 O ATOM 1366 OE2 GLU A 90 6.541 4.766 6.072 1.00 0.00 O ATOM 0 H GLU A 90 3.286 2.554 7.530 1.00 0.00 H new ATOM 0 HA GLU A 90 4.255 2.577 10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.922 4.789 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.878 4.946 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.420 3.170 8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.435 2.902 7.373 1.00 0.00 H new ATOM 1373 N ALA A 91 1.309 3.908 9.788 1.00 0.00 N ATOM 1374 CA ALA A 91 0.122 4.517 10.453 1.00 0.00 C ATOM 1375 C ALA A 91 -0.616 3.517 11.385 1.00 0.00 C ATOM 1376 O ALA A 91 -1.563 3.900 12.082 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.841 5.073 9.386 1.00 0.00 C ATOM 0 H ALA A 91 1.112 3.558 8.850 1.00 0.00 H new ATOM 0 HA ALA A 91 0.479 5.330 11.086 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.708 5.518 9.875 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.329 5.832 8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.168 4.263 8.734 1.00 0.00 H new ATOM 1383 N GLY A 92 -0.180 2.241 11.375 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.785 1.191 12.213 1.00 0.00 C ATOM 1385 C GLY A 92 -1.999 0.495 11.575 1.00 0.00 C ATOM 1386 O GLY A 92 -2.699 -0.274 12.243 1.00 0.00 O ATOM 0 H GLY A 92 0.591 1.914 10.793 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.027 0.440 12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.090 1.631 13.162 1.00 0.00 H new ATOM 1390 N MET A 93 -2.232 0.751 10.273 1.00 0.00 N ATOM 1391 CA MET A 93 -3.359 0.157 9.505 1.00 0.00 C ATOM 1392 C MET A 93 -2.885 -1.071 8.689 1.00 0.00 C ATOM 1393 O MET A 93 -3.130 -2.223 9.078 1.00 0.00 O ATOM 1394 CB MET A 93 -3.973 1.237 8.563 1.00 0.00 C ATOM 1395 CG MET A 93 -4.485 2.477 9.300 1.00 0.00 C ATOM 1396 SD MET A 93 -5.799 2.079 10.469 1.00 0.00 S ATOM 1397 CE MET A 93 -7.132 1.602 9.365 1.00 0.00 C ATOM 0 H MET A 93 -1.647 1.375 9.718 1.00 0.00 H new ATOM 0 HA MET A 93 -4.122 -0.184 10.205 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.221 1.542 7.836 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.796 0.793 8.003 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.659 2.949 9.831 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.853 3.203 8.575 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.070 1.571 9.919 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.212 2.328 8.556 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.924 0.617 8.948 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.171 -0.784 7.579 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.647 -1.783 6.628 1.00 0.00 C ATOM 1409 C ALA A 94 -2.743 -2.756 6.078 1.00 0.00 C ATOM 1410 O ALA A 94 -2.935 -3.841 6.624 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.439 -2.533 7.223 1.00 0.00 C ATOM 0 H ALA A 94 -1.938 0.173 7.315 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.298 -1.230 5.756 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.073 -3.263 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.354 -1.821 7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.743 -3.046 8.136 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.514 -2.330 5.021 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.452 -3.225 4.259 1.00 0.00 C ATOM 1419 C PRO A 95 -3.774 -4.496 3.627 1.00 0.00 C ATOM 1420 O PRO A 95 -2.554 -4.527 3.461 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.994 -2.285 3.145 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.864 -0.905 3.720 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.592 -0.923 4.532 1.00 0.00 C ATOM 0 HA PRO A 95 -5.212 -3.646 4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.419 -2.387 2.225 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.031 -2.517 2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.815 -0.154 2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.723 -0.657 4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.725 -0.659 3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.632 -0.212 5.357 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.558 -5.576 3.274 1.00 0.00 N ATOM 1432 CA PRO A 96 -4.018 -6.764 2.553 1.00 0.00 C ATOM 1433 C PRO A 96 -3.488 -6.429 1.128 1.00 0.00 C ATOM 1434 O PRO A 96 -4.269 -6.168 0.205 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.227 -7.747 2.496 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.159 -7.263 3.569 1.00 0.00 C ATOM 1437 CD PRO A 96 -6.000 -5.758 3.583 1.00 0.00 C ATOM 0 HA PRO A 96 -3.149 -7.180 3.063 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.706 -7.730 1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.912 -8.774 2.678 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.189 -7.548 3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.904 -7.695 4.537 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.637 -5.277 2.840 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.263 -5.333 4.551 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.152 -6.415 0.974 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.484 -6.199 -0.325 1.00 0.00 C ATOM 1447 C VAL A 97 -1.118 -7.557 -0.972 1.00 0.00 C ATOM 1448 O VAL A 97 -0.971 -8.575 -0.288 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.188 -5.303 -0.158 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.846 -5.979 0.767 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.457 -4.930 -1.524 1.00 0.00 C ATOM 0 H VAL A 97 -1.502 -6.553 1.748 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.178 -5.671 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.512 -4.373 0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.723 -5.339 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.405 -6.137 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.141 -6.939 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.341 -4.316 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.743 -5.840 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.261 -4.373 -2.125 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.016 -7.562 -2.299 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.544 -8.721 -3.072 1.00 0.00 C ATOM 1463 C VAL A 98 0.997 -8.932 -2.922 1.00 0.00 C ATOM 1464 O VAL A 98 1.760 -7.971 -2.819 1.00 0.00 O ATOM 1465 CB VAL A 98 -0.926 -8.549 -4.593 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.461 -8.542 -4.805 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -0.299 -7.267 -5.181 1.00 0.00 C ATOM 0 H VAL A 98 -1.259 -6.758 -2.878 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.037 -9.608 -2.673 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.520 -9.411 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.681 -8.421 -5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.881 -9.484 -4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.902 -7.716 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.579 -7.174 -6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.661 -6.399 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.786 -7.322 -5.098 1.00 0.00 H new ATOM 1477 N LEU A 99 1.434 -10.200 -2.851 1.00 0.00 N ATOM 1478 CA LEU A 99 2.874 -10.578 -2.969 1.00 0.00 C ATOM 1479 C LEU A 99 3.176 -11.215 -4.348 1.00 0.00 C ATOM 1480 O LEU A 99 4.338 -11.450 -4.700 1.00 0.00 O ATOM 1481 CB LEU A 99 3.277 -11.580 -1.846 1.00 0.00 C ATOM 1482 CG LEU A 99 3.362 -11.001 -0.409 1.00 0.00 C ATOM 1483 CD1 LEU A 99 3.705 -12.099 0.622 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.364 -9.826 -0.335 1.00 0.00 C ATOM 0 H LEU A 99 0.812 -10.996 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 99 3.457 -9.663 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.558 -12.399 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.246 -12.008 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 99 2.377 -10.610 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.757 -11.659 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.933 -12.868 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.668 -12.545 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.400 -9.443 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.355 -10.174 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.044 -9.032 -1.010 1.00 0.00 H new ATOM 1496 N GLN A 100 2.110 -11.485 -5.111 1.00 0.00 N ATOM 1497 CA GLN A 100 2.154 -12.269 -6.373 1.00 0.00 C ATOM 1498 C GLN A 100 2.019 -11.372 -7.627 1.00 0.00 C ATOM 1499 O GLN A 100 2.003 -11.865 -8.757 1.00 0.00 O ATOM 1500 CB GLN A 100 1.058 -13.398 -6.318 1.00 0.00 C ATOM 1501 CG GLN A 100 -0.187 -13.117 -5.423 1.00 0.00 C ATOM 1502 CD GLN A 100 -1.202 -12.097 -5.960 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -0.884 -11.185 -6.705 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -2.448 -12.239 -5.558 1.00 0.00 N ATOM 0 H GLN A 100 1.172 -11.164 -4.873 1.00 0.00 H new ATOM 0 HA GLN A 100 3.134 -12.739 -6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.712 -13.587 -7.334 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.531 -14.315 -5.967 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.707 -14.060 -5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 100 0.163 -12.770 -4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.699 -13.007 -4.935 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.163 -11.581 -5.870 1.00 0.00 H new ATOM 1513 N SER A 101 1.943 -10.054 -7.404 1.00 0.00 N ATOM 1514 CA SER A 101 1.791 -9.043 -8.475 1.00 0.00 C ATOM 1515 C SER A 101 2.787 -7.888 -8.287 1.00 0.00 C ATOM 1516 O SER A 101 3.507 -7.555 -9.230 1.00 0.00 O ATOM 1517 CB SER A 101 0.339 -8.508 -8.502 1.00 0.00 C ATOM 1518 OG SER A 101 0.183 -7.381 -9.348 1.00 0.00 O ATOM 0 H SER A 101 1.985 -9.649 -6.469 1.00 0.00 H new ATOM 0 HA SER A 101 2.007 -9.521 -9.430 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.329 -9.302 -8.835 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.036 -8.241 -7.489 1.00 0.00 H new ATOM 0 HG SER A 101 0.274 -7.659 -10.283 1.00 0.00 H new ATOM 1524 N THR A 102 2.803 -7.304 -7.053 1.00 0.00 N ATOM 1525 CA THR A 102 3.652 -6.129 -6.662 1.00 0.00 C ATOM 1526 C THR A 102 5.078 -6.150 -7.280 1.00 0.00 C ATOM 1527 O THR A 102 5.824 -7.113 -7.108 1.00 0.00 O ATOM 1528 CB THR A 102 3.765 -6.029 -5.100 1.00 0.00 C ATOM 1529 OG1 THR A 102 2.467 -5.844 -4.522 1.00 0.00 O ATOM 1530 CG2 THR A 102 4.661 -4.877 -4.633 1.00 0.00 C ATOM 0 H THR A 102 2.218 -7.639 -6.287 1.00 0.00 H new ATOM 0 HA THR A 102 3.145 -5.253 -7.066 1.00 0.00 H new ATOM 0 HB THR A 102 4.215 -6.965 -4.771 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.271 -6.587 -3.914 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.697 -4.863 -3.544 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.667 -5.016 -5.028 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.257 -3.932 -4.995 1.00 0.00 H new ATOM 1538 N GLU A 103 5.423 -5.068 -8.007 1.00 0.00 N ATOM 1539 CA GLU A 103 6.660 -4.966 -8.819 1.00 0.00 C ATOM 1540 C GLU A 103 7.906 -4.541 -7.995 1.00 0.00 C ATOM 1541 O GLU A 103 7.811 -4.200 -6.814 1.00 0.00 O ATOM 1542 CB GLU A 103 6.453 -3.966 -9.998 1.00 0.00 C ATOM 1543 CG GLU A 103 5.361 -4.352 -11.028 1.00 0.00 C ATOM 1544 CD GLU A 103 3.918 -4.027 -10.601 1.00 0.00 C ATOM 1545 OE1 GLU A 103 3.293 -4.823 -9.909 1.00 0.00 O ATOM 1546 OE2 GLU A 103 3.409 -2.957 -10.951 1.00 0.00 O ATOM 0 H GLU A 103 4.846 -4.228 -8.049 1.00 0.00 H new ATOM 0 HA GLU A 103 6.855 -5.968 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.204 -2.990 -9.582 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.400 -3.855 -10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.570 -3.838 -11.966 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.433 -5.421 -11.227 1.00 0.00 H new ATOM 1553 N LYS A 104 9.077 -4.549 -8.677 1.00 0.00 N ATOM 1554 CA LYS A 104 10.391 -4.134 -8.102 1.00 0.00 C ATOM 1555 C LYS A 104 10.397 -2.659 -7.649 1.00 0.00 C ATOM 1556 O LYS A 104 10.982 -2.315 -6.617 1.00 0.00 O ATOM 1557 CB LYS A 104 11.515 -4.333 -9.157 1.00 0.00 C ATOM 1558 CG LYS A 104 11.699 -5.784 -9.643 1.00 0.00 C ATOM 1559 CD LYS A 104 11.994 -6.755 -8.480 1.00 0.00 C ATOM 1560 CE LYS A 104 12.313 -8.175 -8.967 1.00 0.00 C ATOM 1561 NZ LYS A 104 12.486 -9.118 -7.834 1.00 0.00 N ATOM 0 H LYS A 104 9.142 -4.845 -9.651 1.00 0.00 H new ATOM 0 HA LYS A 104 10.565 -4.759 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.300 -3.701 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.457 -3.985 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.798 -6.108 -10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.516 -5.823 -10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.835 -6.376 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.134 -6.788 -7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.509 -8.527 -9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.222 -8.158 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.700 -10.067 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.269 -8.796 -7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.610 -9.153 -7.275 1.00 0.00 H new ATOM 1575 N SER A 105 9.736 -1.808 -8.448 1.00 0.00 N ATOM 1576 CA SER A 105 9.688 -0.341 -8.217 1.00 0.00 C ATOM 1577 C SER A 105 8.979 0.009 -6.884 1.00 0.00 C ATOM 1578 O SER A 105 9.277 1.034 -6.258 1.00 0.00 O ATOM 1579 CB SER A 105 9.003 0.373 -9.399 1.00 0.00 C ATOM 1580 OG SER A 105 8.977 1.778 -9.222 1.00 0.00 O ATOM 0 H SER A 105 9.218 -2.108 -9.274 1.00 0.00 H new ATOM 0 HA SER A 105 10.717 0.012 -8.143 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.529 0.133 -10.323 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.984 0.001 -9.507 1.00 0.00 H new ATOM 0 HG SER A 105 8.537 2.197 -9.991 1.00 0.00 H new ATOM 1586 N ALA A 106 8.052 -0.868 -6.461 1.00 0.00 N ATOM 1587 CA ALA A 106 7.375 -0.759 -5.155 1.00 0.00 C ATOM 1588 C ALA A 106 8.366 -0.928 -3.981 1.00 0.00 C ATOM 1589 O ALA A 106 8.379 -0.114 -3.058 1.00 0.00 O ATOM 1590 CB ALA A 106 6.262 -1.798 -5.060 1.00 0.00 C ATOM 0 H ALA A 106 7.751 -1.671 -7.013 1.00 0.00 H new ATOM 0 HA ALA A 106 6.946 0.241 -5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.766 -1.712 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.537 -1.628 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.687 -2.797 -5.163 1.00 0.00 H new ATOM 1596 N LEU A 107 9.224 -1.978 -4.070 1.00 0.00 N ATOM 1597 CA LEU A 107 10.249 -2.323 -3.033 1.00 0.00 C ATOM 1598 C LEU A 107 11.258 -1.172 -2.766 1.00 0.00 C ATOM 1599 O LEU A 107 11.959 -1.186 -1.754 1.00 0.00 O ATOM 1600 CB LEU A 107 11.025 -3.625 -3.430 1.00 0.00 C ATOM 1601 CG LEU A 107 10.308 -4.995 -3.164 1.00 0.00 C ATOM 1602 CD1 LEU A 107 8.958 -5.112 -3.899 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.234 -6.183 -3.514 1.00 0.00 C ATOM 0 H LEU A 107 9.229 -2.616 -4.866 1.00 0.00 H new ATOM 0 HA LEU A 107 9.698 -2.491 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.260 -3.567 -4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 107 11.974 -3.630 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 107 10.088 -5.030 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.507 -6.079 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.292 -4.316 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.120 -5.023 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.712 -7.120 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.509 -6.132 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.134 -6.135 -2.901 1.00 0.00 H new ATOM 1615 N ARG A 108 11.309 -0.190 -3.675 1.00 0.00 N ATOM 1616 CA ARG A 108 12.184 0.990 -3.550 1.00 0.00 C ATOM 1617 C ARG A 108 11.603 1.976 -2.518 1.00 0.00 C ATOM 1618 O ARG A 108 12.334 2.584 -1.731 1.00 0.00 O ATOM 1619 CB ARG A 108 12.336 1.669 -4.935 1.00 0.00 C ATOM 1620 CG ARG A 108 12.991 0.769 -6.010 1.00 0.00 C ATOM 1621 CD ARG A 108 13.023 1.426 -7.401 1.00 0.00 C ATOM 1622 NE ARG A 108 13.687 2.746 -7.390 1.00 0.00 N ATOM 1623 CZ ARG A 108 14.296 3.308 -8.410 1.00 0.00 C ATOM 1624 NH1 ARG A 108 14.458 2.675 -9.532 1.00 0.00 N ATOM 1625 NH2 ARG A 108 14.760 4.510 -8.286 1.00 0.00 N ATOM 0 H ARG A 108 10.743 -0.189 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 108 13.168 0.677 -3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.352 1.979 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 108 12.933 2.574 -4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.009 0.528 -5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.445 -0.172 -6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.542 0.768 -8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.003 1.539 -7.769 1.00 0.00 H new ATOM 0 HE ARG A 108 13.671 3.267 -6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.109 1.722 -9.635 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.934 3.131 -10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.651 5.010 -7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.235 4.957 -9.070 1.00 0.00 H new ATOM 1639 N TYR A 109 10.269 2.117 -2.542 1.00 0.00 N ATOM 1640 CA TYR A 109 9.525 3.015 -1.634 1.00 0.00 C ATOM 1641 C TYR A 109 9.163 2.311 -0.302 1.00 0.00 C ATOM 1642 O TYR A 109 9.173 2.950 0.754 1.00 0.00 O ATOM 1643 CB TYR A 109 8.243 3.528 -2.349 1.00 0.00 C ATOM 1644 CG TYR A 109 8.516 4.500 -3.519 1.00 0.00 C ATOM 1645 CD1 TYR A 109 9.064 4.056 -4.731 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.229 5.862 -3.400 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.312 4.935 -5.769 1.00 0.00 C ATOM 1648 CE2 TYR A 109 8.473 6.742 -4.434 1.00 0.00 C ATOM 1649 CZ TYR A 109 9.015 6.279 -5.616 1.00 0.00 C ATOM 1650 OH TYR A 109 9.259 7.162 -6.645 1.00 0.00 O ATOM 0 H TYR A 109 9.670 1.611 -3.194 1.00 0.00 H new ATOM 0 HA TYR A 109 10.166 3.861 -1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.683 2.672 -2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.608 4.027 -1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.296 3.009 -4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.807 6.234 -2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.735 4.575 -6.695 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.241 7.790 -4.319 1.00 0.00 H new ATOM 0 HH TYR A 109 8.992 8.064 -6.372 1.00 0.00 H new ATOM 1660 N VAL A 110 8.838 1.000 -0.354 1.00 0.00 N ATOM 1661 CA VAL A 110 8.403 0.236 0.847 1.00 0.00 C ATOM 1662 C VAL A 110 9.538 -0.574 1.506 1.00 0.00 C ATOM 1663 O VAL A 110 9.872 -0.313 2.664 1.00 0.00 O ATOM 1664 CB VAL A 110 7.179 -0.730 0.559 1.00 0.00 C ATOM 1665 CG1 VAL A 110 5.954 0.047 0.161 1.00 0.00 C ATOM 1666 CG2 VAL A 110 7.441 -1.768 -0.528 1.00 0.00 C ATOM 0 H VAL A 110 8.867 0.446 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 110 8.084 1.009 1.546 1.00 0.00 H new ATOM 0 HB VAL A 110 7.026 -1.257 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.132 -0.643 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.677 0.728 0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.164 0.620 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.554 -2.387 -0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.675 -1.263 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.281 -2.397 -0.235 1.00 0.00 H new ATOM 1676 N SER A 111 10.174 -1.457 0.694 1.00 0.00 N ATOM 1677 CA SER A 111 10.836 -2.722 1.125 1.00 0.00 C ATOM 1678 C SER A 111 9.803 -3.863 1.240 1.00 0.00 C ATOM 1679 O SER A 111 8.722 -3.677 1.802 1.00 0.00 O ATOM 1680 CB SER A 111 11.624 -2.603 2.436 1.00 0.00 C ATOM 1681 OG SER A 111 12.275 -3.811 2.795 1.00 0.00 O ATOM 0 H SER A 111 10.244 -1.306 -0.312 1.00 0.00 H new ATOM 0 HA SER A 111 11.565 -2.949 0.347 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.366 -1.810 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.946 -2.308 3.237 1.00 0.00 H new ATOM 0 HG SER A 111 12.764 -3.682 3.635 1.00 0.00 H new ATOM 1687 N LEU A 112 10.158 -5.037 0.690 1.00 0.00 N ATOM 1688 CA LEU A 112 9.314 -6.265 0.715 1.00 0.00 C ATOM 1689 C LEU A 112 8.781 -6.626 2.130 1.00 0.00 C ATOM 1690 O LEU A 112 7.695 -7.185 2.255 1.00 0.00 O ATOM 1691 CB LEU A 112 10.097 -7.444 0.040 1.00 0.00 C ATOM 1692 CG LEU A 112 9.606 -8.928 0.289 1.00 0.00 C ATOM 1693 CD1 LEU A 112 9.934 -9.852 -0.902 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.210 -9.526 1.595 1.00 0.00 C ATOM 0 H LEU A 112 11.047 -5.171 0.208 1.00 0.00 H new ATOM 0 HA LEU A 112 8.412 -6.065 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.091 -7.271 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.135 -7.381 0.367 1.00 0.00 H new ATOM 0 HG LEU A 112 8.523 -8.874 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.580 -10.860 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.442 -9.477 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.012 -9.872 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.848 -10.545 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.298 -9.533 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.907 -8.918 2.448 1.00 0.00 H new ATOM 1706 N ALA A 113 9.552 -6.285 3.180 1.00 0.00 N ATOM 1707 CA ALA A 113 9.186 -6.585 4.590 1.00 0.00 C ATOM 1708 C ALA A 113 7.821 -5.971 4.990 1.00 0.00 C ATOM 1709 O ALA A 113 7.047 -6.584 5.734 1.00 0.00 O ATOM 1710 CB ALA A 113 10.288 -6.067 5.518 1.00 0.00 C ATOM 0 H ALA A 113 10.442 -5.797 3.083 1.00 0.00 H new ATOM 0 HA ALA A 113 9.088 -7.666 4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.024 -6.285 6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.230 -6.557 5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.395 -4.990 5.390 1.00 0.00 H new ATOM 1716 N ASP A 114 7.532 -4.768 4.458 1.00 0.00 N ATOM 1717 CA ASP A 114 6.307 -4.013 4.762 1.00 0.00 C ATOM 1718 C ASP A 114 5.097 -4.610 4.006 1.00 0.00 C ATOM 1719 O ASP A 114 3.970 -4.581 4.509 1.00 0.00 O ATOM 1720 CB ASP A 114 6.537 -2.531 4.389 1.00 0.00 C ATOM 1721 CG ASP A 114 7.810 -1.961 5.051 1.00 0.00 C ATOM 1722 OD1 ASP A 114 8.927 -2.327 4.626 1.00 0.00 O ATOM 1723 OD2 ASP A 114 7.711 -1.164 6.003 1.00 0.00 O ATOM 0 H ASP A 114 8.149 -4.291 3.800 1.00 0.00 H new ATOM 0 HA ASP A 114 6.081 -4.081 5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.618 -2.438 3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.673 -1.941 4.696 1.00 0.00 H new ATOM 1728 N LEU A 115 5.373 -5.180 2.808 1.00 0.00 N ATOM 1729 CA LEU A 115 4.387 -5.931 2.008 1.00 0.00 C ATOM 1730 C LEU A 115 3.938 -7.197 2.774 1.00 0.00 C ATOM 1731 O LEU A 115 2.761 -7.362 3.088 1.00 0.00 O ATOM 1732 CB LEU A 115 5.021 -6.333 0.646 1.00 0.00 C ATOM 1733 CG LEU A 115 5.509 -5.153 -0.249 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.370 -5.639 -1.414 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.332 -4.338 -0.790 1.00 0.00 C ATOM 0 H LEU A 115 6.293 -5.129 2.371 1.00 0.00 H new ATOM 0 HA LEU A 115 3.516 -5.301 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.868 -6.991 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.290 -6.913 0.083 1.00 0.00 H new ATOM 0 HG LEU A 115 6.120 -4.514 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.689 -4.785 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.247 -6.158 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.790 -6.321 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.708 -3.524 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.688 -4.982 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.761 -3.927 0.042 1.00 0.00 H new ATOM 1747 N GLN A 116 4.934 -8.027 3.141 1.00 0.00 N ATOM 1748 CA GLN A 116 4.722 -9.340 3.802 1.00 0.00 C ATOM 1749 C GLN A 116 4.110 -9.196 5.212 1.00 0.00 C ATOM 1750 O GLN A 116 3.404 -10.098 5.683 1.00 0.00 O ATOM 1751 CB GLN A 116 6.070 -10.112 3.872 1.00 0.00 C ATOM 1752 CG GLN A 116 6.769 -10.296 2.497 1.00 0.00 C ATOM 1753 CD GLN A 116 7.380 -11.692 2.264 1.00 0.00 C ATOM 1754 OE1 GLN A 116 7.793 -12.372 3.198 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.458 -12.118 1.010 1.00 0.00 N ATOM 0 H GLN A 116 5.918 -7.808 2.988 1.00 0.00 H new ATOM 0 HA GLN A 116 4.006 -9.902 3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.746 -9.581 4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.892 -11.094 4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.045 -10.095 1.707 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.558 -9.549 2.403 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.108 -11.534 0.250 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.868 -13.029 0.806 1.00 0.00 H new ATOM 1764 N ALA A 117 4.407 -8.051 5.861 1.00 0.00 N ATOM 1765 CA ALA A 117 3.848 -7.673 7.194 1.00 0.00 C ATOM 1766 C ALA A 117 2.302 -7.820 7.288 1.00 0.00 C ATOM 1767 O ALA A 117 1.779 -8.250 8.323 1.00 0.00 O ATOM 1768 CB ALA A 117 4.254 -6.239 7.543 1.00 0.00 C ATOM 0 H ALA A 117 5.045 -7.352 5.480 1.00 0.00 H new ATOM 0 HA ALA A 117 4.270 -8.375 7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.843 -5.971 8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.341 -6.166 7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.868 -5.557 6.786 1.00 0.00 H new ATOM 1774 N HIS A 118 1.584 -7.471 6.201 1.00 0.00 N ATOM 1775 CA HIS A 118 0.100 -7.598 6.138 1.00 0.00 C ATOM 1776 C HIS A 118 -0.372 -8.142 4.772 1.00 0.00 C ATOM 1777 O HIS A 118 -1.403 -7.723 4.238 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.586 -6.238 6.498 1.00 0.00 C ATOM 1779 CG HIS A 118 -1.124 -6.191 7.908 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -0.534 -5.477 8.924 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -2.227 -6.760 8.450 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -1.241 -5.614 10.028 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -2.272 -6.381 9.764 1.00 0.00 N ATOM 0 H HIS A 118 2.002 -7.097 5.349 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.206 -8.331 6.884 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.134 -5.430 6.365 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.403 -6.056 5.799 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.938 -7.394 7.941 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -1.011 -5.171 10.986 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -2.993 -6.652 10.433 1.00 0.00 H new ATOM 1792 N ALA A 119 0.377 -9.108 4.232 1.00 0.00 N ATOM 1793 CA ALA A 119 -0.028 -9.888 3.039 1.00 0.00 C ATOM 1794 C ALA A 119 -0.249 -11.377 3.396 1.00 0.00 C ATOM 1795 O ALA A 119 -0.232 -11.747 4.575 1.00 0.00 O ATOM 1796 CB ALA A 119 1.035 -9.732 1.949 1.00 0.00 C ATOM 0 H ALA A 119 1.287 -9.379 4.605 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.977 -9.503 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.741 -10.304 1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.130 -8.680 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.992 -10.101 2.319 1.00 0.00 H new