USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 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 1 MET CE :methyl -142:sc= -3.25! (180deg=-6.57!) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.489 (180deg=-0.0117) USER MOD Single : A 8 SER OG : rot -163:sc= -4.36! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 170:sc= -1.16 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -127:sc= -6.33! (180deg=-10.3!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.453 K(o=-0.45,f=-1!) USER MOD Single : A 54 THR OG1 : rot -54:sc= 0.73 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.170 2.247 0.802 1.00 0.00 N ATOM 2 CA MET A 1 -6.147 2.801 1.683 1.00 0.00 C ATOM 3 C MET A 1 -6.701 3.034 3.084 1.00 0.00 C ATOM 4 O MET A 1 -7.741 2.488 3.453 1.00 0.00 O ATOM 5 CB MET A 1 -5.589 4.106 1.100 1.00 0.00 C ATOM 6 CG MET A 1 -6.499 5.315 1.276 1.00 0.00 C ATOM 7 SD MET A 1 -5.616 6.876 1.101 1.00 0.00 S ATOM 8 CE MET A 1 -4.259 6.629 2.243 1.00 0.00 C ATOM 0 H1 MET A 1 -6.776 1.440 0.277 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.981 1.929 1.369 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.482 2.977 0.130 1.00 0.00 H new ATOM 0 HA MET A 1 -5.335 2.078 1.758 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.629 4.318 1.570 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.398 3.962 0.037 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.302 5.271 0.540 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.966 5.274 2.260 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.045 7.564 2.762 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.530 5.864 2.971 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.374 6.309 1.693 1.00 0.00 H new ATOM 18 N ILE A 2 -6.003 3.855 3.856 1.00 0.00 N ATOM 19 CA ILE A 2 -6.413 4.160 5.220 1.00 0.00 C ATOM 20 C ILE A 2 -6.637 5.658 5.397 1.00 0.00 C ATOM 21 O ILE A 2 -5.861 6.472 4.897 1.00 0.00 O ATOM 22 CB ILE A 2 -5.349 3.687 6.232 1.00 0.00 C ATOM 23 CG1 ILE A 2 -4.804 2.317 5.826 1.00 0.00 C ATOM 24 CG2 ILE A 2 -5.918 3.634 7.640 1.00 0.00 C ATOM 25 CD1 ILE A 2 -3.826 1.734 6.823 1.00 0.00 C ATOM 0 H ILE A 2 -5.147 4.324 3.560 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.348 3.631 5.406 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.531 4.408 6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.638 1.626 5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.313 2.403 4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.146 3.297 8.332 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.259 4.627 7.932 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.758 2.939 7.667 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.481 0.762 6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.973 2.404 6.931 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.318 1.615 7.788 1.00 0.00 H new ATOM 37 N PRO A 3 -7.699 6.050 6.122 1.00 0.00 N ATOM 38 CA PRO A 3 -8.002 7.461 6.404 1.00 0.00 C ATOM 39 C PRO A 3 -7.154 7.984 7.543 1.00 0.00 C ATOM 40 O PRO A 3 -7.690 8.461 8.538 1.00 0.00 O ATOM 41 CB PRO A 3 -9.454 7.386 6.848 1.00 0.00 C ATOM 42 CG PRO A 3 -9.477 6.115 7.618 1.00 0.00 C ATOM 43 CD PRO A 3 -8.672 5.155 6.783 1.00 0.00 C ATOM 0 HA PRO A 3 -7.814 8.120 5.556 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.737 8.240 7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.139 7.362 6.000 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.040 6.243 8.608 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.496 5.757 7.763 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.179 4.399 7.394 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.293 4.625 6.061 1.00 0.00 H new ATOM 51 N VAL A 4 -5.836 7.818 7.405 1.00 0.00 N ATOM 52 CA VAL A 4 -4.858 8.138 8.446 1.00 0.00 C ATOM 53 C VAL A 4 -3.630 7.241 8.249 1.00 0.00 C ATOM 54 O VAL A 4 -3.669 6.299 7.459 1.00 0.00 O ATOM 55 CB VAL A 4 -5.476 7.982 9.876 1.00 0.00 C ATOM 56 CG1 VAL A 4 -4.484 7.472 10.919 1.00 0.00 C ATOM 57 CG2 VAL A 4 -6.030 9.322 10.344 1.00 0.00 C ATOM 0 H VAL A 4 -5.412 7.451 6.553 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.555 9.182 8.361 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.265 7.235 9.787 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.982 7.389 11.885 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.110 6.493 10.618 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.650 8.169 11.000 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.460 9.210 11.340 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.226 10.057 10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.802 9.659 9.652 1.00 0.00 H new ATOM 67 N ARG A 5 -2.542 7.544 8.956 1.00 0.00 N ATOM 68 CA ARG A 5 -1.309 6.759 8.851 1.00 0.00 C ATOM 69 C ARG A 5 -0.509 7.152 7.616 1.00 0.00 C ATOM 70 O ARG A 5 -0.736 8.205 7.021 1.00 0.00 O ATOM 71 CB ARG A 5 -1.615 5.257 8.805 1.00 0.00 C ATOM 72 CG ARG A 5 -0.833 4.444 9.823 1.00 0.00 C ATOM 73 CD ARG A 5 -1.308 4.722 11.239 1.00 0.00 C ATOM 74 NE ARG A 5 -1.514 3.492 11.998 1.00 0.00 N ATOM 75 CZ ARG A 5 -0.534 2.824 12.599 1.00 0.00 C ATOM 76 NH1 ARG A 5 0.713 3.265 12.529 1.00 0.00 N ATOM 77 NH2 ARG A 5 -0.803 1.712 13.271 1.00 0.00 N ATOM 0 H ARG A 5 -2.488 8.327 9.608 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.714 6.973 9.739 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.681 5.107 8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.395 4.881 7.806 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.942 3.382 9.603 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.228 4.679 9.741 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.575 5.346 11.751 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.239 5.287 11.205 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.463 3.125 12.071 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.924 4.119 12.013 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.463 2.750 12.991 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -1.762 1.369 13.327 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.051 1.200 13.732 1.00 0.00 H new ATOM 91 N CYS A 6 0.429 6.289 7.234 1.00 0.00 N ATOM 92 CA CYS A 6 1.273 6.533 6.074 1.00 0.00 C ATOM 93 C CYS A 6 1.012 5.511 4.981 1.00 0.00 C ATOM 94 O CYS A 6 1.557 4.410 5.001 1.00 0.00 O ATOM 95 CB CYS A 6 2.748 6.500 6.476 1.00 0.00 C ATOM 96 SG CYS A 6 3.661 8.005 6.062 1.00 0.00 S ATOM 0 H CYS A 6 0.622 5.411 7.716 1.00 0.00 H new ATOM 0 HA CYS A 6 1.029 7.521 5.684 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.817 6.330 7.551 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.227 5.651 5.988 1.00 0.00 H new ATOM 101 N LEU A 7 0.176 5.895 4.027 1.00 0.00 N ATOM 102 CA LEU A 7 -0.148 5.050 2.892 1.00 0.00 C ATOM 103 C LEU A 7 -0.114 5.883 1.620 1.00 0.00 C ATOM 104 O LEU A 7 -0.999 5.784 0.774 1.00 0.00 O ATOM 105 CB LEU A 7 -1.539 4.435 3.057 1.00 0.00 C ATOM 106 CG LEU A 7 -1.775 3.554 4.293 1.00 0.00 C ATOM 107 CD1 LEU A 7 -0.533 2.775 4.698 1.00 0.00 C ATOM 108 CD2 LEU A 7 -2.266 4.408 5.448 1.00 0.00 C ATOM 0 H LEU A 7 -0.295 6.800 4.020 1.00 0.00 H new ATOM 0 HA LEU A 7 0.585 4.246 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.267 5.246 3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.751 3.837 2.171 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.536 2.819 4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.754 2.169 5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.227 2.126 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.273 3.471 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.432 3.778 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.519 5.166 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.201 4.895 5.169 1.00 0.00 H new ATOM 120 N SER A 8 0.888 6.745 1.524 1.00 0.00 N ATOM 121 CA SER A 8 1.035 7.625 0.372 1.00 0.00 C ATOM 122 C SER A 8 2.345 8.401 0.441 1.00 0.00 C ATOM 123 O SER A 8 3.237 8.208 -0.385 1.00 0.00 O ATOM 124 CB SER A 8 -0.141 8.602 0.305 1.00 0.00 C ATOM 125 OG SER A 8 -0.612 8.745 -1.023 1.00 0.00 O ATOM 0 H SER A 8 1.614 6.854 2.232 1.00 0.00 H new ATOM 0 HA SER A 8 1.046 7.008 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.949 8.247 0.944 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.167 9.574 0.691 1.00 0.00 H new ATOM 0 HG SER A 8 -1.164 9.552 -1.089 1.00 0.00 H new ATOM 131 N CYS A 9 2.454 9.282 1.430 1.00 0.00 N ATOM 132 CA CYS A 9 3.651 10.098 1.601 1.00 0.00 C ATOM 133 C CYS A 9 3.778 11.117 0.473 1.00 0.00 C ATOM 134 O CYS A 9 4.874 11.588 0.168 1.00 0.00 O ATOM 135 CB CYS A 9 4.896 9.208 1.645 1.00 0.00 C ATOM 136 SG CYS A 9 5.732 9.187 3.248 1.00 0.00 S ATOM 0 H CYS A 9 1.727 9.449 2.126 1.00 0.00 H new ATOM 0 HA CYS A 9 3.565 10.637 2.545 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.611 8.189 1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.599 9.548 0.885 1.00 0.00 H new ATOM 141 N GLY A 10 2.648 11.457 -0.142 1.00 0.00 N ATOM 142 CA GLY A 10 2.654 12.411 -1.233 1.00 0.00 C ATOM 143 C GLY A 10 2.113 11.823 -2.522 1.00 0.00 C ATOM 144 O GLY A 10 1.747 12.555 -3.440 1.00 0.00 O ATOM 0 H GLY A 10 1.728 11.087 0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.057 13.280 -0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.672 12.763 -1.398 1.00 0.00 H new ATOM 148 N LYS A 11 2.074 10.496 -2.594 1.00 0.00 N ATOM 149 CA LYS A 11 1.604 9.810 -3.789 1.00 0.00 C ATOM 150 C LYS A 11 0.500 8.809 -3.453 1.00 0.00 C ATOM 151 O LYS A 11 0.776 7.712 -2.965 1.00 0.00 O ATOM 152 CB LYS A 11 2.772 9.089 -4.462 1.00 0.00 C ATOM 153 CG LYS A 11 3.236 9.755 -5.743 1.00 0.00 C ATOM 154 CD LYS A 11 3.836 11.116 -5.451 1.00 0.00 C ATOM 155 CE LYS A 11 3.449 12.138 -6.507 1.00 0.00 C ATOM 156 NZ LYS A 11 4.539 12.356 -7.498 1.00 0.00 N ATOM 0 H LYS A 11 2.363 9.876 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 11 1.191 10.554 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.608 9.039 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.477 8.063 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.974 9.125 -6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.395 9.862 -6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.501 11.459 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.922 11.033 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.550 11.802 -7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.204 13.084 -6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.234 13.060 -8.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.389 12.701 -7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.756 11.459 -7.978 1.00 0.00 H new ATOM 170 N PRO A 12 -0.770 9.170 -3.715 1.00 0.00 N ATOM 171 CA PRO A 12 -1.913 8.299 -3.447 1.00 0.00 C ATOM 172 C PRO A 12 -1.621 6.836 -3.767 1.00 0.00 C ATOM 173 O PRO A 12 -1.057 6.521 -4.815 1.00 0.00 O ATOM 174 CB PRO A 12 -2.979 8.849 -4.388 1.00 0.00 C ATOM 175 CG PRO A 12 -2.679 10.305 -4.492 1.00 0.00 C ATOM 176 CD PRO A 12 -1.191 10.457 -4.300 1.00 0.00 C ATOM 0 HA PRO A 12 -2.198 8.301 -2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.934 8.365 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.981 8.679 -3.994 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.985 10.695 -5.463 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.226 10.868 -3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.685 10.649 -5.246 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.958 11.291 -3.638 1.00 0.00 H new ATOM 184 N VAL A 13 -2.004 5.946 -2.857 1.00 0.00 N ATOM 185 CA VAL A 13 -1.770 4.519 -3.043 1.00 0.00 C ATOM 186 C VAL A 13 -3.071 3.781 -3.356 1.00 0.00 C ATOM 187 O VAL A 13 -3.063 2.726 -3.990 1.00 0.00 O ATOM 188 CB VAL A 13 -1.103 3.895 -1.796 1.00 0.00 C ATOM 189 CG1 VAL A 13 0.121 4.703 -1.389 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.086 3.799 -0.638 1.00 0.00 C ATOM 0 H VAL A 13 -2.476 6.187 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.095 4.412 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.786 2.884 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.579 4.251 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.840 4.712 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.178 5.725 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.589 3.356 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.442 4.796 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.931 3.176 -0.929 1.00 0.00 H new ATOM 200 N SER A 14 -4.186 4.346 -2.903 1.00 0.00 N ATOM 201 CA SER A 14 -5.497 3.744 -3.118 1.00 0.00 C ATOM 202 C SER A 14 -5.694 3.343 -4.577 1.00 0.00 C ATOM 203 O SER A 14 -6.070 2.211 -4.873 1.00 0.00 O ATOM 204 CB SER A 14 -6.600 4.717 -2.697 1.00 0.00 C ATOM 205 OG SER A 14 -6.195 5.495 -1.584 1.00 0.00 O ATOM 0 H SER A 14 -4.207 5.223 -2.383 1.00 0.00 H new ATOM 0 HA SER A 14 -5.553 2.843 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.849 5.372 -3.532 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.504 4.161 -2.447 1.00 0.00 H new ATOM 0 HG SER A 14 -6.844 6.214 -1.434 1.00 0.00 H new ATOM 211 N ALA A 15 -5.459 4.283 -5.484 1.00 0.00 N ATOM 212 CA ALA A 15 -5.628 4.025 -6.909 1.00 0.00 C ATOM 213 C ALA A 15 -4.694 2.919 -7.386 1.00 0.00 C ATOM 214 O ALA A 15 -5.003 2.198 -8.334 1.00 0.00 O ATOM 215 CB ALA A 15 -5.389 5.298 -7.707 1.00 0.00 C ATOM 0 H ALA A 15 -5.151 5.229 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.653 3.692 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.518 5.091 -8.769 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.102 6.061 -7.396 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.375 5.655 -7.528 1.00 0.00 H new ATOM 221 N TYR A 16 -3.547 2.793 -6.727 1.00 0.00 N ATOM 222 CA TYR A 16 -2.560 1.791 -7.095 1.00 0.00 C ATOM 223 C TYR A 16 -2.830 0.459 -6.399 1.00 0.00 C ATOM 224 O TYR A 16 -2.438 -0.601 -6.892 1.00 0.00 O ATOM 225 CB TYR A 16 -1.162 2.295 -6.747 1.00 0.00 C ATOM 226 CG TYR A 16 -0.509 3.068 -7.870 1.00 0.00 C ATOM 227 CD1 TYR A 16 0.101 2.407 -8.928 1.00 0.00 C ATOM 228 CD2 TYR A 16 -0.527 4.457 -7.886 1.00 0.00 C ATOM 229 CE1 TYR A 16 0.696 3.108 -9.960 1.00 0.00 C ATOM 230 CE2 TYR A 16 0.066 5.166 -8.915 1.00 0.00 C ATOM 231 CZ TYR A 16 0.674 4.487 -9.949 1.00 0.00 C ATOM 232 OH TYR A 16 1.262 5.189 -10.977 1.00 0.00 O ATOM 0 H TYR A 16 -3.280 3.375 -5.933 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.629 1.622 -8.170 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.222 2.931 -5.864 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.532 1.445 -6.485 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.111 1.327 -8.945 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.012 4.992 -7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.175 2.579 -10.770 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.053 6.246 -8.908 1.00 0.00 H new ATOM 0 HH TYR A 16 1.158 6.150 -10.818 1.00 0.00 H new ATOM 242 N PHE A 17 -3.516 0.514 -5.258 1.00 0.00 N ATOM 243 CA PHE A 17 -3.854 -0.697 -4.509 1.00 0.00 C ATOM 244 C PHE A 17 -4.376 -1.788 -5.440 1.00 0.00 C ATOM 245 O PHE A 17 -4.207 -2.979 -5.175 1.00 0.00 O ATOM 246 CB PHE A 17 -4.902 -0.393 -3.433 1.00 0.00 C ATOM 247 CG PHE A 17 -4.329 -0.015 -2.091 1.00 0.00 C ATOM 248 CD1 PHE A 17 -3.007 0.390 -1.960 1.00 0.00 C ATOM 249 CD2 PHE A 17 -5.124 -0.067 -0.957 1.00 0.00 C ATOM 250 CE1 PHE A 17 -2.493 0.729 -0.722 1.00 0.00 C ATOM 251 CE2 PHE A 17 -4.615 0.276 0.280 1.00 0.00 C ATOM 252 CZ PHE A 17 -3.300 0.677 0.398 1.00 0.00 C ATOM 0 H PHE A 17 -3.848 1.380 -4.833 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.943 -1.053 -4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.539 0.419 -3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.540 -1.268 -3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.374 0.441 -2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.154 -0.380 -1.042 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.461 1.034 -0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.246 0.230 1.155 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.902 0.950 1.364 1.00 0.00 H new ATOM 262 N ASN A 18 -5.005 -1.371 -6.535 1.00 0.00 N ATOM 263 CA ASN A 18 -5.529 -2.311 -7.516 1.00 0.00 C ATOM 264 C ASN A 18 -4.400 -3.148 -8.101 1.00 0.00 C ATOM 265 O ASN A 18 -4.549 -4.353 -8.313 1.00 0.00 O ATOM 266 CB ASN A 18 -6.262 -1.564 -8.632 1.00 0.00 C ATOM 267 CG ASN A 18 -7.706 -1.270 -8.278 1.00 0.00 C ATOM 268 OD1 ASN A 18 -8.054 -0.143 -7.923 1.00 0.00 O ATOM 269 ND2 ASN A 18 -8.557 -2.285 -8.373 1.00 0.00 N ATOM 0 H ASN A 18 -5.163 -0.390 -6.764 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.236 -2.974 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.744 -0.628 -8.840 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.228 -2.157 -9.546 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.542 -2.147 -8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.225 -3.202 -8.671 1.00 0.00 H new ATOM 276 N GLU A 19 -3.262 -2.505 -8.344 1.00 0.00 N ATOM 277 CA GLU A 19 -2.094 -3.193 -8.875 1.00 0.00 C ATOM 278 C GLU A 19 -1.643 -4.283 -7.911 1.00 0.00 C ATOM 279 O GLU A 19 -1.482 -5.441 -8.297 1.00 0.00 O ATOM 280 CB GLU A 19 -0.954 -2.199 -9.116 1.00 0.00 C ATOM 281 CG GLU A 19 -0.150 -2.484 -10.374 1.00 0.00 C ATOM 282 CD GLU A 19 -0.709 -1.784 -11.597 1.00 0.00 C ATOM 283 OE1 GLU A 19 -1.888 -1.370 -11.557 1.00 0.00 O ATOM 284 OE2 GLU A 19 0.031 -1.647 -12.592 1.00 0.00 O ATOM 0 H GLU A 19 -3.125 -1.507 -8.181 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.363 -3.653 -9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.369 -1.193 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.284 -2.213 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.882 -2.169 -10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.131 -3.559 -10.553 1.00 0.00 H new ATOM 291 N TYR A 20 -1.466 -3.907 -6.650 1.00 0.00 N ATOM 292 CA TYR A 20 -1.073 -4.856 -5.616 1.00 0.00 C ATOM 293 C TYR A 20 -2.048 -6.027 -5.577 1.00 0.00 C ATOM 294 O TYR A 20 -1.644 -7.190 -5.558 1.00 0.00 O ATOM 295 CB TYR A 20 -1.038 -4.162 -4.254 1.00 0.00 C ATOM 296 CG TYR A 20 -0.876 -5.103 -3.080 1.00 0.00 C ATOM 297 CD1 TYR A 20 -1.973 -5.764 -2.540 1.00 0.00 C ATOM 298 CD2 TYR A 20 0.369 -5.323 -2.508 1.00 0.00 C ATOM 299 CE1 TYR A 20 -1.831 -6.621 -1.464 1.00 0.00 C ATOM 300 CE2 TYR A 20 0.520 -6.177 -1.431 1.00 0.00 C ATOM 301 CZ TYR A 20 -0.583 -6.825 -0.915 1.00 0.00 C ATOM 302 OH TYR A 20 -0.437 -7.678 0.156 1.00 0.00 O ATOM 0 H TYR A 20 -1.589 -2.950 -6.319 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.077 -5.234 -5.848 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.217 -3.445 -4.246 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.959 -3.594 -4.125 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.952 -5.606 -2.968 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.235 -4.819 -2.911 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.693 -7.128 -1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.496 -6.336 -0.996 1.00 0.00 H new ATOM 0 HH TYR A 20 0.506 -7.711 0.422 1.00 0.00 H new ATOM 312 N GLN A 21 -3.335 -5.703 -5.565 1.00 0.00 N ATOM 313 CA GLN A 21 -4.378 -6.720 -5.539 1.00 0.00 C ATOM 314 C GLN A 21 -4.236 -7.660 -6.729 1.00 0.00 C ATOM 315 O GLN A 21 -4.005 -8.857 -6.564 1.00 0.00 O ATOM 316 CB GLN A 21 -5.761 -6.065 -5.550 1.00 0.00 C ATOM 317 CG GLN A 21 -6.900 -7.051 -5.354 1.00 0.00 C ATOM 318 CD GLN A 21 -8.003 -6.502 -4.470 1.00 0.00 C ATOM 319 OE1 GLN A 21 -8.482 -7.182 -3.562 1.00 0.00 O ATOM 320 NE2 GLN A 21 -8.411 -5.266 -4.730 1.00 0.00 N ATOM 0 H GLN A 21 -3.681 -4.744 -5.573 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.270 -7.299 -4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.804 -5.312 -4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.900 -5.545 -6.498 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.317 -7.316 -6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.509 -7.968 -4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.986 -4.738 -5.493 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.150 -4.844 -4.167 1.00 0.00 H new ATOM 329 N ARG A 22 -4.355 -7.104 -7.932 1.00 0.00 N ATOM 330 CA ARG A 22 -4.212 -7.888 -9.152 1.00 0.00 C ATOM 331 C ARG A 22 -2.919 -8.694 -9.120 1.00 0.00 C ATOM 332 O ARG A 22 -2.915 -9.896 -9.381 1.00 0.00 O ATOM 333 CB ARG A 22 -4.215 -6.971 -10.375 1.00 0.00 C ATOM 334 CG ARG A 22 -3.919 -7.695 -11.677 1.00 0.00 C ATOM 335 CD ARG A 22 -4.036 -6.764 -12.874 1.00 0.00 C ATOM 336 NE ARG A 22 -4.190 -7.498 -14.125 1.00 0.00 N ATOM 337 CZ ARG A 22 -4.244 -6.917 -15.318 1.00 0.00 C ATOM 338 NH1 ARG A 22 -4.156 -5.597 -15.419 1.00 0.00 N ATOM 339 NH2 ARG A 22 -4.386 -7.654 -16.411 1.00 0.00 N ATOM 0 H ARG A 22 -4.550 -6.115 -8.086 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.056 -8.575 -9.218 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.187 -6.485 -10.452 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.475 -6.183 -10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.914 -8.116 -11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.610 -8.529 -11.795 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.890 -6.101 -12.735 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.149 -6.133 -12.931 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.260 -8.515 -14.081 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.047 -5.027 -14.580 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.198 -5.152 -16.336 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.454 -8.669 -16.336 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.427 -7.206 -17.326 1.00 0.00 H new ATOM 353 N ARG A 23 -1.824 -8.018 -8.793 1.00 0.00 N ATOM 354 CA ARG A 23 -0.524 -8.666 -8.709 1.00 0.00 C ATOM 355 C ARG A 23 -0.531 -9.748 -7.635 1.00 0.00 C ATOM 356 O ARG A 23 -0.534 -10.940 -7.939 1.00 0.00 O ATOM 357 CB ARG A 23 0.561 -7.632 -8.401 1.00 0.00 C ATOM 358 CG ARG A 23 1.198 -7.019 -9.639 1.00 0.00 C ATOM 359 CD ARG A 23 0.157 -6.629 -10.677 1.00 0.00 C ATOM 360 NE ARG A 23 0.035 -7.629 -11.734 1.00 0.00 N ATOM 361 CZ ARG A 23 -0.450 -7.370 -12.945 1.00 0.00 C ATOM 362 NH1 ARG A 23 -0.859 -6.147 -13.253 1.00 0.00 N ATOM 363 NH2 ARG A 23 -0.526 -8.336 -13.850 1.00 0.00 N ATOM 0 H ARG A 23 -1.812 -7.020 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.310 -9.132 -9.671 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.129 -6.836 -7.795 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.339 -8.104 -7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.774 -6.139 -9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.899 -7.730 -10.077 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.809 -6.497 -10.190 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.426 -5.668 -11.116 1.00 0.00 H new ATOM 0 HE ARG A 23 0.339 -8.581 -11.532 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.802 -5.401 -12.560 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.230 -5.952 -14.183 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.212 -9.278 -13.618 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.898 -8.137 -14.779 1.00 0.00 H new ATOM 377 N VAL A 24 -0.555 -9.323 -6.376 1.00 0.00 N ATOM 378 CA VAL A 24 -0.566 -10.254 -5.252 1.00 0.00 C ATOM 379 C VAL A 24 -1.606 -11.353 -5.450 1.00 0.00 C ATOM 380 O VAL A 24 -1.453 -12.464 -4.941 1.00 0.00 O ATOM 381 CB VAL A 24 -0.855 -9.527 -3.925 1.00 0.00 C ATOM 382 CG1 VAL A 24 -0.763 -10.496 -2.757 1.00 0.00 C ATOM 383 CG2 VAL A 24 0.099 -8.359 -3.738 1.00 0.00 C ATOM 0 H VAL A 24 -0.567 -8.339 -6.108 1.00 0.00 H new ATOM 0 HA VAL A 24 0.426 -10.703 -5.208 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.870 -9.132 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.970 -9.966 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.492 -11.295 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.239 -10.922 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.120 -7.857 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.125 -8.726 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.023 -7.654 -4.561 1.00 0.00 H new ATOM 393 N ALA A 25 -2.663 -11.037 -6.192 1.00 0.00 N ATOM 394 CA ALA A 25 -3.728 -11.999 -6.450 1.00 0.00 C ATOM 395 C ALA A 25 -3.186 -13.245 -7.143 1.00 0.00 C ATOM 396 O ALA A 25 -3.368 -14.363 -6.660 1.00 0.00 O ATOM 397 CB ALA A 25 -4.830 -11.363 -7.282 1.00 0.00 C ATOM 0 H ALA A 25 -2.804 -10.124 -6.624 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.148 -12.303 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.616 -12.095 -7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.246 -10.511 -6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.419 -11.026 -8.234 1.00 0.00 H new ATOM 403 N ASP A 26 -2.520 -13.049 -8.278 1.00 0.00 N ATOM 404 CA ASP A 26 -1.954 -14.164 -9.030 1.00 0.00 C ATOM 405 C ASP A 26 -0.748 -14.750 -8.305 1.00 0.00 C ATOM 406 O ASP A 26 -0.764 -15.910 -7.891 1.00 0.00 O ATOM 407 CB ASP A 26 -1.555 -13.715 -10.436 1.00 0.00 C ATOM 408 CG ASP A 26 -1.773 -14.801 -11.472 1.00 0.00 C ATOM 409 OD1 ASP A 26 -2.733 -15.583 -11.319 1.00 0.00 O ATOM 410 OD2 ASP A 26 -0.981 -14.869 -12.437 1.00 0.00 O ATOM 0 H ASP A 26 -2.360 -12.132 -8.695 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.717 -14.938 -9.112 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.133 -12.833 -10.711 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.505 -13.421 -10.437 1.00 0.00 H new ATOM 415 N GLY A 27 0.295 -13.942 -8.145 1.00 0.00 N ATOM 416 CA GLY A 27 1.488 -14.404 -7.456 1.00 0.00 C ATOM 417 C GLY A 27 2.717 -13.569 -7.770 1.00 0.00 C ATOM 418 O GLY A 27 3.821 -14.103 -7.882 1.00 0.00 O ATOM 0 H GLY A 27 0.337 -12.979 -8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.309 -14.387 -6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.681 -15.441 -7.731 1.00 0.00 H new ATOM 422 N GLU A 28 2.536 -12.257 -7.892 1.00 0.00 N ATOM 423 CA GLU A 28 3.642 -11.360 -8.184 1.00 0.00 C ATOM 424 C GLU A 28 4.172 -10.718 -6.908 1.00 0.00 C ATOM 425 O GLU A 28 3.401 -10.302 -6.043 1.00 0.00 O ATOM 426 CB GLU A 28 3.192 -10.274 -9.161 1.00 0.00 C ATOM 427 CG GLU A 28 2.783 -10.811 -10.521 1.00 0.00 C ATOM 428 CD GLU A 28 1.309 -11.157 -10.595 1.00 0.00 C ATOM 429 OE1 GLU A 28 0.825 -11.887 -9.707 1.00 0.00 O ATOM 430 OE2 GLU A 28 0.640 -10.701 -11.547 1.00 0.00 O ATOM 0 H GLU A 28 1.632 -11.794 -7.793 1.00 0.00 H new ATOM 0 HA GLU A 28 4.444 -11.944 -8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.352 -9.731 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.002 -9.556 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.017 -10.069 -11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.372 -11.699 -10.748 1.00 0.00 H new ATOM 437 N ASP A 29 5.494 -10.639 -6.797 1.00 0.00 N ATOM 438 CA ASP A 29 6.128 -10.039 -5.630 1.00 0.00 C ATOM 439 C ASP A 29 5.534 -8.660 -5.344 1.00 0.00 C ATOM 440 O ASP A 29 5.739 -7.722 -6.112 1.00 0.00 O ATOM 441 CB ASP A 29 7.637 -9.917 -5.855 1.00 0.00 C ATOM 442 CG ASP A 29 7.979 -9.499 -7.272 1.00 0.00 C ATOM 443 OD1 ASP A 29 7.073 -9.019 -7.985 1.00 0.00 O ATOM 444 OD2 ASP A 29 9.153 -9.652 -7.669 1.00 0.00 O ATOM 0 H ASP A 29 6.147 -10.983 -7.501 1.00 0.00 H new ATOM 0 HA ASP A 29 5.945 -10.683 -4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.048 -9.189 -5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.113 -10.873 -5.636 1.00 0.00 H new ATOM 449 N PRO A 30 4.775 -8.517 -4.242 1.00 0.00 N ATOM 450 CA PRO A 30 4.160 -7.239 -3.879 1.00 0.00 C ATOM 451 C PRO A 30 5.198 -6.135 -3.733 1.00 0.00 C ATOM 452 O PRO A 30 5.007 -5.023 -4.224 1.00 0.00 O ATOM 453 CB PRO A 30 3.480 -7.518 -2.539 1.00 0.00 C ATOM 454 CG PRO A 30 3.324 -9.001 -2.481 1.00 0.00 C ATOM 455 CD PRO A 30 4.473 -9.573 -3.261 1.00 0.00 C ATOM 0 HA PRO A 30 3.466 -6.890 -4.644 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.083 -7.153 -1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.514 -7.018 -2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.339 -9.354 -1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.370 -9.309 -2.910 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.329 -9.784 -2.620 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.202 -10.509 -3.749 1.00 0.00 H new ATOM 463 N LYS A 31 6.313 -6.455 -3.077 1.00 0.00 N ATOM 464 CA LYS A 31 7.394 -5.491 -2.889 1.00 0.00 C ATOM 465 C LYS A 31 7.712 -4.784 -4.201 1.00 0.00 C ATOM 466 O LYS A 31 7.871 -3.564 -4.244 1.00 0.00 O ATOM 467 CB LYS A 31 8.640 -6.188 -2.349 1.00 0.00 C ATOM 468 CG LYS A 31 9.077 -5.679 -0.985 1.00 0.00 C ATOM 469 CD LYS A 31 9.597 -6.808 -0.110 1.00 0.00 C ATOM 470 CE LYS A 31 9.492 -6.464 1.367 1.00 0.00 C ATOM 471 NZ LYS A 31 9.970 -7.579 2.231 1.00 0.00 N ATOM 0 H LYS A 31 6.490 -7.372 -2.668 1.00 0.00 H new ATOM 0 HA LYS A 31 7.069 -4.746 -2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.448 -7.259 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.458 -6.053 -3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.855 -4.925 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.237 -5.192 -0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.031 -7.717 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.637 -7.016 -0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.077 -5.568 1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.456 -6.232 1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.882 -7.306 3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.396 -8.427 2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.966 -7.784 2.014 1.00 0.00 H new ATOM 485 N ASP A 32 7.759 -5.559 -5.281 1.00 0.00 N ATOM 486 CA ASP A 32 7.986 -4.999 -6.603 1.00 0.00 C ATOM 487 C ASP A 32 6.826 -4.089 -6.975 1.00 0.00 C ATOM 488 O ASP A 32 7.019 -3.007 -7.533 1.00 0.00 O ATOM 489 CB ASP A 32 8.134 -6.114 -7.640 1.00 0.00 C ATOM 490 CG ASP A 32 9.412 -5.990 -8.443 1.00 0.00 C ATOM 491 OD1 ASP A 32 9.749 -4.860 -8.854 1.00 0.00 O ATOM 492 OD2 ASP A 32 10.079 -7.023 -8.662 1.00 0.00 O ATOM 0 H ASP A 32 7.643 -6.572 -5.264 1.00 0.00 H new ATOM 0 HA ASP A 32 8.909 -4.420 -6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.117 -7.080 -7.136 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.280 -6.093 -8.317 1.00 0.00 H new ATOM 497 N VAL A 33 5.617 -4.523 -6.629 1.00 0.00 N ATOM 498 CA VAL A 33 4.427 -3.729 -6.885 1.00 0.00 C ATOM 499 C VAL A 33 4.532 -2.387 -6.177 1.00 0.00 C ATOM 500 O VAL A 33 4.253 -1.347 -6.762 1.00 0.00 O ATOM 501 CB VAL A 33 3.142 -4.441 -6.422 1.00 0.00 C ATOM 502 CG1 VAL A 33 1.920 -3.595 -6.746 1.00 0.00 C ATOM 503 CG2 VAL A 33 3.033 -5.818 -7.057 1.00 0.00 C ATOM 0 H VAL A 33 5.440 -5.418 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 33 4.366 -3.584 -7.964 1.00 0.00 H new ATOM 0 HB VAL A 33 3.189 -4.572 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.020 -4.112 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.997 -2.635 -6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.866 -3.431 -7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.119 -6.304 -6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.009 -5.717 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.894 -6.421 -6.768 1.00 0.00 H new ATOM 513 N LEU A 34 4.962 -2.418 -4.915 1.00 0.00 N ATOM 514 CA LEU A 34 5.123 -1.194 -4.135 1.00 0.00 C ATOM 515 C LEU A 34 5.919 -0.165 -4.921 1.00 0.00 C ATOM 516 O LEU A 34 5.611 1.026 -4.898 1.00 0.00 O ATOM 517 CB LEU A 34 5.819 -1.488 -2.805 1.00 0.00 C ATOM 518 CG LEU A 34 4.901 -2.004 -1.692 1.00 0.00 C ATOM 519 CD1 LEU A 34 4.067 -0.867 -1.120 1.00 0.00 C ATOM 520 CD2 LEU A 34 3.999 -3.108 -2.212 1.00 0.00 C ATOM 0 H LEU A 34 5.204 -3.273 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 34 4.132 -0.791 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.604 -2.224 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.307 -0.577 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 34 5.524 -2.413 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.421 -1.251 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.727 -0.103 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.455 -0.431 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.355 -3.461 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.385 -2.723 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.609 -3.934 -2.578 1.00 0.00 H new ATOM 532 N ASP A 35 6.929 -0.638 -5.643 1.00 0.00 N ATOM 533 CA ASP A 35 7.737 0.239 -6.470 1.00 0.00 C ATOM 534 C ASP A 35 6.867 0.879 -7.547 1.00 0.00 C ATOM 535 O ASP A 35 7.061 2.038 -7.914 1.00 0.00 O ATOM 536 CB ASP A 35 8.889 -0.535 -7.113 1.00 0.00 C ATOM 537 CG ASP A 35 10.082 0.350 -7.420 1.00 0.00 C ATOM 538 OD1 ASP A 35 10.278 1.352 -6.702 1.00 0.00 O ATOM 539 OD2 ASP A 35 10.819 0.041 -8.379 1.00 0.00 O ATOM 0 H ASP A 35 7.204 -1.620 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 35 8.160 1.021 -5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.199 -1.339 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.540 -1.001 -8.034 1.00 0.00 H new ATOM 544 N ASP A 36 5.888 0.116 -8.027 1.00 0.00 N ATOM 545 CA ASP A 36 4.957 0.601 -9.039 1.00 0.00 C ATOM 546 C ASP A 36 3.844 1.418 -8.391 1.00 0.00 C ATOM 547 O ASP A 36 3.468 2.482 -8.884 1.00 0.00 O ATOM 548 CB ASP A 36 4.356 -0.573 -9.814 1.00 0.00 C ATOM 549 CG ASP A 36 4.868 -0.647 -11.239 1.00 0.00 C ATOM 550 OD1 ASP A 36 5.858 0.047 -11.551 1.00 0.00 O ATOM 551 OD2 ASP A 36 4.277 -1.397 -12.045 1.00 0.00 O ATOM 0 H ASP A 36 5.720 -0.845 -7.729 1.00 0.00 H new ATOM 0 HA ASP A 36 5.505 1.240 -9.732 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.591 -1.504 -9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.270 -0.480 -9.825 1.00 0.00 H new ATOM 556 N LEU A 37 3.330 0.914 -7.271 1.00 0.00 N ATOM 557 CA LEU A 37 2.275 1.590 -6.522 1.00 0.00 C ATOM 558 C LEU A 37 2.594 3.073 -6.363 1.00 0.00 C ATOM 559 O LEU A 37 1.749 3.933 -6.598 1.00 0.00 O ATOM 560 CB LEU A 37 2.126 0.944 -5.146 1.00 0.00 C ATOM 561 CG LEU A 37 1.204 -0.280 -5.091 1.00 0.00 C ATOM 562 CD1 LEU A 37 1.826 -1.380 -4.247 1.00 0.00 C ATOM 563 CD2 LEU A 37 -0.158 0.099 -4.535 1.00 0.00 C ATOM 0 H LEU A 37 3.631 0.031 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 37 1.340 1.493 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.114 0.650 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.749 1.694 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 37 1.073 -0.652 -6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.157 -2.240 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.781 -1.676 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.987 -1.014 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.797 -0.784 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.041 0.498 -3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.614 0.855 -5.174 1.00 0.00 H new ATOM 575 N GLY A 38 3.830 3.358 -5.974 1.00 0.00 N ATOM 576 CA GLY A 38 4.265 4.730 -5.824 1.00 0.00 C ATOM 577 C GLY A 38 4.344 5.175 -4.377 1.00 0.00 C ATOM 578 O GLY A 38 3.833 6.236 -4.019 1.00 0.00 O ATOM 0 H GLY A 38 4.541 2.659 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.245 4.847 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.578 5.383 -6.362 1.00 0.00 H new ATOM 582 N LEU A 39 5.016 4.381 -3.552 1.00 0.00 N ATOM 583 CA LEU A 39 5.167 4.700 -2.137 1.00 0.00 C ATOM 584 C LEU A 39 6.633 4.614 -1.722 1.00 0.00 C ATOM 585 O LEU A 39 7.065 3.627 -1.128 1.00 0.00 O ATOM 586 CB LEU A 39 4.317 3.752 -1.281 1.00 0.00 C ATOM 587 CG LEU A 39 3.195 3.028 -2.031 1.00 0.00 C ATOM 588 CD1 LEU A 39 3.762 1.903 -2.878 1.00 0.00 C ATOM 589 CD2 LEU A 39 2.159 2.493 -1.063 1.00 0.00 C ATOM 0 H LEU A 39 5.465 3.511 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 39 4.820 5.721 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.973 3.006 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.877 4.322 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 39 2.707 3.746 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.951 1.399 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.466 2.312 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.277 1.188 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.372 1.983 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.631 1.791 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.728 3.320 -0.498 1.00 0.00 H new ATOM 601 N LYS A 40 7.395 5.654 -2.054 1.00 0.00 N ATOM 602 CA LYS A 40 8.822 5.701 -1.741 1.00 0.00 C ATOM 603 C LYS A 40 9.093 5.270 -0.302 1.00 0.00 C ATOM 604 O LYS A 40 9.528 4.145 -0.052 1.00 0.00 O ATOM 605 CB LYS A 40 9.368 7.112 -1.969 1.00 0.00 C ATOM 606 CG LYS A 40 9.713 7.404 -3.421 1.00 0.00 C ATOM 607 CD LYS A 40 11.181 7.139 -3.711 1.00 0.00 C ATOM 608 CE LYS A 40 11.372 6.473 -5.064 1.00 0.00 C ATOM 609 NZ LYS A 40 11.182 7.431 -6.187 1.00 0.00 N ATOM 0 H LYS A 40 7.046 6.479 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 40 9.330 5.003 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.630 7.838 -1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.260 7.251 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.095 6.787 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.478 8.444 -3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.733 8.079 -3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.598 6.504 -2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.372 6.043 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.665 5.649 -5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.321 6.937 -7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.219 7.822 -6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.873 8.204 -6.105 1.00 0.00 H new ATOM 623 N ARG A 41 8.843 6.174 0.641 1.00 0.00 N ATOM 624 CA ARG A 41 9.072 5.894 2.056 1.00 0.00 C ATOM 625 C ARG A 41 8.505 4.534 2.450 1.00 0.00 C ATOM 626 O ARG A 41 7.302 4.297 2.346 1.00 0.00 O ATOM 627 CB ARG A 41 8.446 6.991 2.920 1.00 0.00 C ATOM 628 CG ARG A 41 8.917 8.390 2.560 1.00 0.00 C ATOM 629 CD ARG A 41 9.059 9.266 3.794 1.00 0.00 C ATOM 630 NE ARG A 41 8.647 10.643 3.537 1.00 0.00 N ATOM 631 CZ ARG A 41 8.407 11.532 4.495 1.00 0.00 C ATOM 632 NH1 ARG A 41 8.539 11.187 5.768 1.00 0.00 N ATOM 633 NH2 ARG A 41 8.036 12.765 4.180 1.00 0.00 N ATOM 0 H ARG A 41 8.481 7.108 0.451 1.00 0.00 H new ATOM 0 HA ARG A 41 10.149 5.875 2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.361 6.945 2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.680 6.796 3.967 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.875 8.331 2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.209 8.846 1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.457 8.853 4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.096 9.254 4.130 1.00 0.00 H new ATOM 0 HE ARG A 41 8.537 10.939 2.567 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.825 10.239 6.012 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.355 11.870 6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.934 13.033 3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.852 13.446 4.917 1.00 0.00 H new ATOM 647 N TYR A 42 9.382 3.644 2.901 1.00 0.00 N ATOM 648 CA TYR A 42 8.971 2.306 3.308 1.00 0.00 C ATOM 649 C TYR A 42 8.042 2.359 4.515 1.00 0.00 C ATOM 650 O TYR A 42 7.291 1.418 4.770 1.00 0.00 O ATOM 651 CB TYR A 42 10.196 1.446 3.628 1.00 0.00 C ATOM 652 CG TYR A 42 10.897 1.835 4.910 1.00 0.00 C ATOM 653 CD1 TYR A 42 10.336 1.546 6.149 1.00 0.00 C ATOM 654 CD2 TYR A 42 12.125 2.488 4.882 1.00 0.00 C ATOM 655 CE1 TYR A 42 10.976 1.897 7.321 1.00 0.00 C ATOM 656 CE2 TYR A 42 12.770 2.841 6.051 1.00 0.00 C ATOM 657 CZ TYR A 42 12.193 2.544 7.267 1.00 0.00 C ATOM 658 OH TYR A 42 12.833 2.896 8.433 1.00 0.00 O ATOM 0 H TYR A 42 10.382 3.825 2.994 1.00 0.00 H new ATOM 0 HA TYR A 42 8.427 1.856 2.477 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.888 0.403 3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 42 10.904 1.517 2.802 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.384 1.039 6.195 1.00 0.00 H new ATOM 0 HD2 TYR A 42 12.581 2.723 3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.526 1.666 8.275 1.00 0.00 H new ATOM 0 HE2 TYR A 42 13.723 3.348 6.013 1.00 0.00 H new ATOM 0 HH TYR A 42 13.679 3.343 8.220 1.00 0.00 H new ATOM 668 N CYS A 43 8.082 3.469 5.249 1.00 0.00 N ATOM 669 CA CYS A 43 7.227 3.639 6.420 1.00 0.00 C ATOM 670 C CYS A 43 5.783 3.271 6.091 1.00 0.00 C ATOM 671 O CYS A 43 5.030 2.821 6.956 1.00 0.00 O ATOM 672 CB CYS A 43 7.305 5.081 6.929 1.00 0.00 C ATOM 673 SG CYS A 43 6.820 6.324 5.711 1.00 0.00 S ATOM 0 H CYS A 43 8.695 4.261 5.054 1.00 0.00 H new ATOM 0 HA CYS A 43 7.581 2.970 7.204 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.666 5.180 7.806 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.325 5.285 7.253 1.00 0.00 H new ATOM 678 N CYS A 44 5.414 3.444 4.826 1.00 0.00 N ATOM 679 CA CYS A 44 4.077 3.095 4.356 1.00 0.00 C ATOM 680 C CYS A 44 4.031 1.630 3.935 1.00 0.00 C ATOM 681 O CYS A 44 3.188 0.865 4.401 1.00 0.00 O ATOM 682 CB CYS A 44 3.670 3.988 3.177 1.00 0.00 C ATOM 683 SG CYS A 44 4.311 5.678 3.257 1.00 0.00 S ATOM 0 H CYS A 44 6.025 3.826 4.104 1.00 0.00 H new ATOM 0 HA CYS A 44 3.374 3.253 5.174 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.015 3.526 2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.582 4.028 3.127 1.00 0.00 H new ATOM 688 N ARG A 45 4.952 1.245 3.055 1.00 0.00 N ATOM 689 CA ARG A 45 5.017 -0.129 2.560 1.00 0.00 C ATOM 690 C ARG A 45 4.930 -1.132 3.705 1.00 0.00 C ATOM 691 O ARG A 45 4.031 -1.968 3.740 1.00 0.00 O ATOM 692 CB ARG A 45 6.313 -0.363 1.779 1.00 0.00 C ATOM 693 CG ARG A 45 6.540 0.618 0.637 1.00 0.00 C ATOM 694 CD ARG A 45 8.018 0.757 0.307 1.00 0.00 C ATOM 695 NE ARG A 45 8.399 -0.053 -0.847 1.00 0.00 N ATOM 696 CZ ARG A 45 9.575 0.044 -1.459 1.00 0.00 C ATOM 697 NH1 ARG A 45 10.479 0.912 -1.028 1.00 0.00 N ATOM 698 NH2 ARG A 45 9.847 -0.728 -2.503 1.00 0.00 N ATOM 0 H ARG A 45 5.664 1.865 2.669 1.00 0.00 H new ATOM 0 HA ARG A 45 4.165 -0.277 1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.155 -0.302 2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.303 -1.376 1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.999 0.280 -0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.133 1.593 0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.248 1.804 0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.612 0.459 1.171 1.00 0.00 H new ATOM 0 HE ARG A 45 7.725 -0.731 -1.203 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.273 1.507 -0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.381 0.985 -1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.153 -1.397 -2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.750 -0.652 -2.972 1.00 0.00 H new ATOM 712 N ARG A 46 5.875 -1.043 4.639 1.00 0.00 N ATOM 713 CA ARG A 46 5.925 -1.953 5.783 1.00 0.00 C ATOM 714 C ARG A 46 4.533 -2.214 6.361 1.00 0.00 C ATOM 715 O ARG A 46 4.245 -3.312 6.837 1.00 0.00 O ATOM 716 CB ARG A 46 6.837 -1.379 6.869 1.00 0.00 C ATOM 717 CG ARG A 46 6.423 0.006 7.343 1.00 0.00 C ATOM 718 CD ARG A 46 5.713 -0.054 8.686 1.00 0.00 C ATOM 719 NE ARG A 46 6.586 -0.546 9.747 1.00 0.00 N ATOM 720 CZ ARG A 46 7.588 0.159 10.262 1.00 0.00 C ATOM 721 NH1 ARG A 46 7.841 1.381 9.814 1.00 0.00 N ATOM 722 NH2 ARG A 46 8.339 -0.358 11.225 1.00 0.00 N ATOM 0 H ARG A 46 6.620 -0.347 4.626 1.00 0.00 H new ATOM 0 HA ARG A 46 6.325 -2.904 5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.845 -2.058 7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.857 -1.334 6.488 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.304 0.642 7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.766 0.464 6.603 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.349 0.940 8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.840 -0.702 8.606 1.00 0.00 H new ATOM 0 HE ARG A 46 6.418 -1.483 10.114 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.266 1.782 9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.610 1.920 10.211 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.148 -1.298 11.572 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.108 0.184 11.619 1.00 0.00 H new ATOM 736 N MET A 47 3.681 -1.198 6.318 1.00 0.00 N ATOM 737 CA MET A 47 2.324 -1.316 6.834 1.00 0.00 C ATOM 738 C MET A 47 1.376 -1.851 5.769 1.00 0.00 C ATOM 739 O MET A 47 0.382 -2.506 6.079 1.00 0.00 O ATOM 740 CB MET A 47 1.826 0.044 7.320 1.00 0.00 C ATOM 741 CG MET A 47 2.445 0.486 8.635 1.00 0.00 C ATOM 742 SD MET A 47 1.443 1.717 9.487 1.00 0.00 S ATOM 743 CE MET A 47 1.051 2.829 8.139 1.00 0.00 C ATOM 0 H MET A 47 3.906 -0.282 5.930 1.00 0.00 H new ATOM 0 HA MET A 47 2.343 -2.018 7.667 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.040 0.793 6.558 1.00 0.00 H new ATOM 0 HB3 MET A 47 0.743 0.005 7.433 1.00 0.00 H new ATOM 0 HG2 MET A 47 2.576 -0.382 9.281 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.437 0.896 8.447 1.00 0.00 H new ATOM 0 HE1 MET A 47 1.323 3.847 8.417 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.609 2.534 7.250 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.017 2.783 7.928 1.00 0.00 H new ATOM 753 N LEU A 48 1.679 -1.546 4.513 1.00 0.00 N ATOM 754 CA LEU A 48 0.840 -1.972 3.404 1.00 0.00 C ATOM 755 C LEU A 48 1.164 -3.396 2.970 1.00 0.00 C ATOM 756 O LEU A 48 0.342 -4.301 3.113 1.00 0.00 O ATOM 757 CB LEU A 48 1.007 -1.025 2.215 1.00 0.00 C ATOM 758 CG LEU A 48 0.861 0.456 2.551 1.00 0.00 C ATOM 759 CD1 LEU A 48 1.707 1.304 1.616 1.00 0.00 C ATOM 760 CD2 LEU A 48 -0.595 0.877 2.480 1.00 0.00 C ATOM 0 H LEU A 48 2.499 -1.005 4.239 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.194 -1.946 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.991 -1.188 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.270 -1.285 1.455 1.00 0.00 H new ATOM 0 HG LEU A 48 1.216 0.612 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.589 2.357 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.755 1.022 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.385 1.143 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.680 1.936 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.975 0.704 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.178 0.294 3.193 1.00 0.00 H new ATOM 772 N ILE A 49 2.364 -3.587 2.422 1.00 0.00 N ATOM 773 CA ILE A 49 2.785 -4.901 1.931 1.00 0.00 C ATOM 774 C ILE A 49 2.398 -6.017 2.897 1.00 0.00 C ATOM 775 O ILE A 49 2.132 -7.145 2.483 1.00 0.00 O ATOM 776 CB ILE A 49 4.306 -4.966 1.689 1.00 0.00 C ATOM 777 CG1 ILE A 49 5.062 -4.243 2.803 1.00 0.00 C ATOM 778 CG2 ILE A 49 4.655 -4.370 0.336 1.00 0.00 C ATOM 779 CD1 ILE A 49 6.287 -4.989 3.286 1.00 0.00 C ATOM 0 H ILE A 49 3.061 -2.851 2.307 1.00 0.00 H new ATOM 0 HA ILE A 49 2.265 -5.045 0.984 1.00 0.00 H new ATOM 0 HB ILE A 49 4.609 -6.013 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.364 -3.258 2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.388 -4.084 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.733 -4.424 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.147 -4.929 -0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.336 -3.328 0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.773 -4.417 4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.990 -5.964 3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.981 -5.124 2.457 1.00 0.00 H new ATOM 791 N SER A 50 2.368 -5.695 4.184 1.00 0.00 N ATOM 792 CA SER A 50 2.030 -6.675 5.207 1.00 0.00 C ATOM 793 C SER A 50 0.520 -6.875 5.312 1.00 0.00 C ATOM 794 O SER A 50 -0.007 -7.907 4.897 1.00 0.00 O ATOM 795 CB SER A 50 2.592 -6.238 6.561 1.00 0.00 C ATOM 796 OG SER A 50 3.744 -6.990 6.901 1.00 0.00 O ATOM 0 H SER A 50 2.574 -4.763 4.544 1.00 0.00 H new ATOM 0 HA SER A 50 2.478 -7.626 4.918 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.842 -5.178 6.529 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.831 -6.363 7.332 1.00 0.00 H new ATOM 0 HG SER A 50 4.085 -6.691 7.770 1.00 0.00 H new ATOM 802 N HIS A 51 -0.165 -5.892 5.885 1.00 0.00 N ATOM 803 CA HIS A 51 -1.610 -5.979 6.079 1.00 0.00 C ATOM 804 C HIS A 51 -2.380 -5.480 4.857 1.00 0.00 C ATOM 805 O HIS A 51 -2.941 -6.275 4.106 1.00 0.00 O ATOM 806 CB HIS A 51 -2.021 -5.178 7.317 1.00 0.00 C ATOM 807 CG HIS A 51 -3.492 -5.215 7.593 1.00 0.00 C ATOM 808 ND1 HIS A 51 -4.310 -6.144 6.995 1.00 0.00 N ATOM 809 CD2 HIS A 51 -4.237 -4.425 8.404 1.00 0.00 C ATOM 810 CE1 HIS A 51 -5.526 -5.903 7.449 1.00 0.00 C ATOM 811 NE2 HIS A 51 -5.530 -4.870 8.306 1.00 0.00 N ATOM 0 H HIS A 51 0.255 -5.026 6.223 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.861 -7.030 6.222 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.487 -5.566 8.184 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.710 -4.141 7.189 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.881 -3.605 9.010 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.404 -6.465 7.167 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.341 -4.488 8.792 1.00 0.00 H new ATOM 819 N VAL A 52 -2.438 -4.155 4.700 1.00 0.00 N ATOM 820 CA VAL A 52 -3.165 -3.514 3.598 1.00 0.00 C ATOM 821 C VAL A 52 -4.459 -4.257 3.247 1.00 0.00 C ATOM 822 O VAL A 52 -4.451 -5.258 2.531 1.00 0.00 O ATOM 823 CB VAL A 52 -2.279 -3.354 2.341 1.00 0.00 C ATOM 824 CG1 VAL A 52 -2.012 -4.692 1.670 1.00 0.00 C ATOM 825 CG2 VAL A 52 -2.908 -2.368 1.370 1.00 0.00 C ATOM 0 H VAL A 52 -1.983 -3.496 5.332 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.438 -2.520 3.952 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.315 -2.956 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.386 -4.540 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.501 -5.354 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.957 -5.143 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.272 -2.267 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.890 -2.732 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.014 -1.397 1.855 1.00 0.00 H new ATOM 835 N GLU A 53 -5.577 -3.755 3.766 1.00 0.00 N ATOM 836 CA GLU A 53 -6.879 -4.369 3.522 1.00 0.00 C ATOM 837 C GLU A 53 -7.079 -4.672 2.040 1.00 0.00 C ATOM 838 O GLU A 53 -7.397 -3.781 1.251 1.00 0.00 O ATOM 839 CB GLU A 53 -7.998 -3.452 4.022 1.00 0.00 C ATOM 840 CG GLU A 53 -9.034 -4.166 4.873 1.00 0.00 C ATOM 841 CD GLU A 53 -10.365 -3.441 4.902 1.00 0.00 C ATOM 842 OE1 GLU A 53 -10.627 -2.642 3.979 1.00 0.00 O ATOM 843 OE2 GLU A 53 -11.146 -3.671 5.850 1.00 0.00 O ATOM 0 H GLU A 53 -5.607 -2.925 4.358 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.913 -5.311 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.559 -2.641 4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.495 -2.998 3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.182 -5.175 4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.657 -4.266 5.891 1.00 0.00 H new ATOM 850 N THR A 54 -6.891 -5.934 1.670 1.00 0.00 N ATOM 851 CA THR A 54 -7.051 -6.358 0.284 1.00 0.00 C ATOM 852 C THR A 54 -7.323 -7.856 0.199 1.00 0.00 C ATOM 853 O THR A 54 -6.397 -8.667 0.229 1.00 0.00 O ATOM 854 CB THR A 54 -5.803 -6.026 -0.553 1.00 0.00 C ATOM 855 OG1 THR A 54 -4.630 -6.534 0.096 1.00 0.00 O ATOM 856 CG2 THR A 54 -5.668 -4.525 -0.756 1.00 0.00 C ATOM 0 H THR A 54 -6.627 -6.682 2.311 1.00 0.00 H new ATOM 0 HA THR A 54 -7.904 -5.811 -0.119 1.00 0.00 H new ATOM 0 HB THR A 54 -5.912 -6.498 -1.530 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.596 -6.201 1.017 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.778 -4.317 -1.350 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.548 -4.148 -1.276 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.580 -4.033 0.213 1.00 0.00 H new ATOM 864 N TRP A 55 -8.597 -8.217 0.093 1.00 0.00 N ATOM 865 CA TRP A 55 -8.990 -9.618 0.006 1.00 0.00 C ATOM 866 C TRP A 55 -9.347 -9.996 -1.428 1.00 0.00 C ATOM 867 O TRP A 55 -8.422 -10.315 -2.203 1.00 0.00 O ATOM 868 CB TRP A 55 -10.177 -9.894 0.929 1.00 0.00 C ATOM 869 CG TRP A 55 -10.533 -11.346 1.028 1.00 0.00 C ATOM 870 CD1 TRP A 55 -11.617 -11.963 0.473 1.00 0.00 C ATOM 871 CD2 TRP A 55 -9.804 -12.363 1.723 1.00 0.00 C ATOM 872 NE1 TRP A 55 -11.607 -13.302 0.782 1.00 0.00 N ATOM 873 CE2 TRP A 55 -10.503 -13.573 1.548 1.00 0.00 C ATOM 874 CE3 TRP A 55 -8.627 -12.370 2.478 1.00 0.00 C ATOM 875 CZ2 TRP A 55 -10.063 -14.774 2.100 1.00 0.00 C ATOM 876 CZ3 TRP A 55 -8.191 -13.563 3.024 1.00 0.00 C ATOM 877 CH2 TRP A 55 -8.909 -14.750 2.832 1.00 0.00 C ATOM 878 OXT TRP A 55 -10.550 -9.970 -1.763 1.00 0.00 O ATOM 0 H TRP A 55 -9.375 -7.558 0.065 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.143 -10.227 0.322 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.948 -9.516 1.925 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -11.044 -9.339 0.569 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.372 -11.471 -0.122 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.307 -13.983 0.489 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.068 -11.459 2.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.614 -15.691 1.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.282 -13.580 3.608 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.543 -15.666 3.272 1.00 0.00 H new TER 889 TRP A 55 HETATM 890 ZN ZN A 56 5.132 7.349 4.486 1.00 0.00 ZN