USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 518 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 SER N :NH3+ 142:sc= 0.267 (180deg=0.0199) USER MOD Single : A 1 SER OG : rot 180:sc= 0.137 USER MOD Single : A 2 SER OG : rot 180:sc= -0.111 USER MOD Single : A 4 LYS NZ :NH3+ -158:sc= -0.276 (180deg=-1.13) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.138) USER MOD Single : A 12 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0214) USER MOD Single : A 13 ASN : amide:sc= -6.2! K(o=-6.2!,f=-0.041) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 99:sc= 0.137 USER MOD Single : A 31 SER OG : rot 156:sc= 0.372 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 36 GLN : amide:sc= -12.2! C(o=-12!,f=-16!) USER MOD Single : A 41 LYS NZ :NH3+ -138:sc= -3.68! (180deg=-5.51!) USER MOD Single : A 51 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.1!) USER MOD Single : A 55 ASN : amide:sc= -10.3! C(o=-10!,f=-7.9!) USER MOD Single : A 60 THR OG1 : rot -53:sc= 0.665 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0438 USER MOD Single : A 62 CYS SG : rot -78:sc= -3! USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= 0.424 (180deg=-0.145) USER MOD Single : A 66 MET CE :methyl -151:sc= -1.28 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.529 -12.331 0.159 1.00 0.00 N ATOM 2 CA SER A 1 -9.297 -11.504 0.295 1.00 0.00 C ATOM 3 C SER A 1 -9.541 -10.388 1.312 1.00 0.00 C ATOM 4 O SER A 1 -10.453 -10.453 2.113 1.00 0.00 O ATOM 5 CB SER A 1 -8.941 -10.894 -1.065 1.00 0.00 C ATOM 6 OG SER A 1 -9.230 -11.836 -2.089 1.00 0.00 O ATOM 0 H1 SER A 1 -10.653 -12.609 -0.836 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.442 -13.184 0.748 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.354 -11.779 0.470 1.00 0.00 H new ATOM 0 HA SER A 1 -8.473 -12.130 0.638 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.509 -9.978 -1.226 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.885 -10.623 -1.091 1.00 0.00 H new ATOM 0 HG SER A 1 -9.006 -11.450 -2.961 1.00 0.00 H new ATOM 11 N SER A 2 -8.734 -9.362 1.288 1.00 0.00 N ATOM 12 CA SER A 2 -8.924 -8.246 2.256 1.00 0.00 C ATOM 13 C SER A 2 -7.999 -7.088 1.890 1.00 0.00 C ATOM 14 O SER A 2 -7.775 -6.192 2.678 1.00 0.00 O ATOM 15 CB SER A 2 -8.589 -8.730 3.668 1.00 0.00 C ATOM 16 OG SER A 2 -7.826 -9.926 3.585 1.00 0.00 O ATOM 0 H SER A 2 -7.953 -9.249 0.641 1.00 0.00 H new ATOM 0 HA SER A 2 -9.961 -7.912 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.029 -7.964 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.505 -8.908 4.231 1.00 0.00 H new ATOM 0 HG SER A 2 -7.608 -10.238 4.488 1.00 0.00 H new ATOM 22 N ALA A 3 -7.459 -7.095 0.710 1.00 0.00 N ATOM 23 CA ALA A 3 -6.550 -5.988 0.316 1.00 0.00 C ATOM 24 C ALA A 3 -7.375 -4.757 -0.026 1.00 0.00 C ATOM 25 O ALA A 3 -6.933 -3.637 0.131 1.00 0.00 O ATOM 26 CB ALA A 3 -5.742 -6.399 -0.903 1.00 0.00 C ATOM 0 H ALA A 3 -7.605 -7.815 0.002 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.875 -5.764 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.076 -5.585 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.152 -7.284 -0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.417 -6.623 -1.729 1.00 0.00 H new ATOM 32 N LYS A 4 -8.580 -4.955 -0.469 1.00 0.00 N ATOM 33 CA LYS A 4 -9.437 -3.793 -0.794 1.00 0.00 C ATOM 34 C LYS A 4 -10.003 -3.273 0.525 1.00 0.00 C ATOM 35 O LYS A 4 -10.123 -2.084 0.746 1.00 0.00 O ATOM 36 CB LYS A 4 -10.554 -4.244 -1.745 1.00 0.00 C ATOM 37 CG LYS A 4 -11.603 -3.135 -1.909 1.00 0.00 C ATOM 38 CD LYS A 4 -11.088 -2.085 -2.897 1.00 0.00 C ATOM 39 CE LYS A 4 -12.153 -1.004 -3.106 1.00 0.00 C ATOM 40 NZ LYS A 4 -13.471 -1.649 -3.368 1.00 0.00 N ATOM 0 H LYS A 4 -9.006 -5.869 -0.619 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.879 -3.000 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.131 -4.499 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.028 -5.146 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.541 -3.558 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.811 -2.671 -0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.170 -1.636 -2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.844 -2.557 -3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.217 -0.366 -2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.877 -0.363 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.093 -0.979 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.333 -2.495 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.909 -1.924 -2.465 1.00 0.00 H new ATOM 54 N ARG A 5 -10.325 -4.170 1.418 1.00 0.00 N ATOM 55 CA ARG A 5 -10.857 -3.757 2.744 1.00 0.00 C ATOM 56 C ARG A 5 -9.768 -2.984 3.487 1.00 0.00 C ATOM 57 O ARG A 5 -9.980 -1.890 3.971 1.00 0.00 O ATOM 58 CB ARG A 5 -11.200 -5.011 3.550 1.00 0.00 C ATOM 59 CG ARG A 5 -12.207 -4.667 4.654 1.00 0.00 C ATOM 60 CD ARG A 5 -13.633 -4.758 4.100 1.00 0.00 C ATOM 61 NE ARG A 5 -14.610 -4.496 5.194 1.00 0.00 N ATOM 62 CZ ARG A 5 -15.854 -4.225 4.905 1.00 0.00 C ATOM 63 NH1 ARG A 5 -16.241 -4.184 3.659 1.00 0.00 N ATOM 64 NH2 ARG A 5 -16.710 -3.995 5.863 1.00 0.00 N ATOM 0 H ARG A 5 -10.241 -5.177 1.283 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.744 -3.137 2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.616 -5.774 2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.295 -5.429 3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.089 -5.352 5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.017 -3.663 5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.769 -4.035 3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.806 -5.746 3.673 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.307 -4.528 6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.571 -4.364 2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -17.213 -3.972 3.434 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.407 -4.027 6.836 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -17.682 -3.783 5.638 1.00 0.00 H new ATOM 78 N VAL A 6 -8.598 -3.555 3.573 1.00 0.00 N ATOM 79 CA VAL A 6 -7.483 -2.870 4.275 1.00 0.00 C ATOM 80 C VAL A 6 -7.204 -1.545 3.550 1.00 0.00 C ATOM 81 O VAL A 6 -6.943 -0.524 4.161 1.00 0.00 O ATOM 82 CB VAL A 6 -6.249 -3.806 4.270 1.00 0.00 C ATOM 83 CG1 VAL A 6 -5.276 -3.427 3.151 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.531 -3.742 5.631 1.00 0.00 C ATOM 0 H VAL A 6 -8.368 -4.470 3.185 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.732 -2.648 5.313 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.597 -4.824 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.419 -4.100 3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.780 -3.509 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.936 -2.402 3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.665 -4.404 5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.204 -2.720 5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.215 -4.057 6.419 1.00 0.00 H new ATOM 94 N PHE A 7 -7.290 -1.560 2.249 1.00 0.00 N ATOM 95 CA PHE A 7 -7.062 -0.306 1.478 1.00 0.00 C ATOM 96 C PHE A 7 -8.057 0.748 1.966 1.00 0.00 C ATOM 97 O PHE A 7 -7.703 1.881 2.223 1.00 0.00 O ATOM 98 CB PHE A 7 -7.278 -0.549 -0.019 1.00 0.00 C ATOM 99 CG PHE A 7 -7.363 0.780 -0.731 1.00 0.00 C ATOM 100 CD1 PHE A 7 -8.558 1.514 -0.703 1.00 0.00 C ATOM 101 CD2 PHE A 7 -6.252 1.287 -1.405 1.00 0.00 C ATOM 102 CE1 PHE A 7 -8.638 2.748 -1.346 1.00 0.00 C ATOM 103 CE2 PHE A 7 -6.337 2.523 -2.045 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.527 3.252 -2.016 1.00 0.00 C ATOM 0 H PHE A 7 -7.508 -2.383 1.688 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.037 0.032 1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.458 -1.141 -0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.193 -1.120 -0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.419 1.122 -0.182 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.330 0.725 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.559 3.311 -1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.477 2.918 -2.566 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.586 4.208 -2.514 1.00 0.00 H new ATOM 114 N GLU A 8 -9.305 0.380 2.099 1.00 0.00 N ATOM 115 CA GLU A 8 -10.321 1.357 2.574 1.00 0.00 C ATOM 116 C GLU A 8 -9.856 1.944 3.902 1.00 0.00 C ATOM 117 O GLU A 8 -9.876 3.138 4.109 1.00 0.00 O ATOM 118 CB GLU A 8 -11.666 0.652 2.768 1.00 0.00 C ATOM 119 CG GLU A 8 -12.283 0.344 1.402 1.00 0.00 C ATOM 120 CD GLU A 8 -13.552 -0.489 1.591 1.00 0.00 C ATOM 121 OE1 GLU A 8 -13.428 -1.692 1.762 1.00 0.00 O ATOM 122 OE2 GLU A 8 -14.625 0.088 1.564 1.00 0.00 O ATOM 0 H GLU A 8 -9.661 -0.555 1.899 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.440 2.152 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.527 -0.270 3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.339 1.283 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.519 1.272 0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.569 -0.198 0.782 1.00 0.00 H new ATOM 129 N LYS A 9 -9.437 1.111 4.808 1.00 0.00 N ATOM 130 CA LYS A 9 -8.973 1.624 6.123 1.00 0.00 C ATOM 131 C LYS A 9 -7.933 2.724 5.881 1.00 0.00 C ATOM 132 O LYS A 9 -7.890 3.716 6.581 1.00 0.00 O ATOM 133 CB LYS A 9 -8.344 0.471 6.924 1.00 0.00 C ATOM 134 CG LYS A 9 -8.870 0.475 8.366 1.00 0.00 C ATOM 135 CD LYS A 9 -8.241 1.640 9.144 1.00 0.00 C ATOM 136 CE LYS A 9 -9.237 2.168 10.179 1.00 0.00 C ATOM 137 NZ LYS A 9 -9.557 1.089 11.155 1.00 0.00 N ATOM 0 H LYS A 9 -9.396 0.098 4.696 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.811 2.032 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.577 -0.481 6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.258 0.570 6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.956 0.569 8.367 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.632 -0.471 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.329 1.308 9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.958 2.438 8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.816 3.029 10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.147 2.507 9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.066 1.494 11.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.153 0.371 10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.675 0.647 11.485 1.00 0.00 H new ATOM 151 N PHE A 10 -7.092 2.555 4.896 1.00 0.00 N ATOM 152 CA PHE A 10 -6.056 3.589 4.619 1.00 0.00 C ATOM 153 C PHE A 10 -6.546 4.610 3.603 1.00 0.00 C ATOM 154 O PHE A 10 -5.960 5.665 3.486 1.00 0.00 O ATOM 155 CB PHE A 10 -4.801 2.902 4.118 1.00 0.00 C ATOM 156 CG PHE A 10 -4.440 1.819 5.104 1.00 0.00 C ATOM 157 CD1 PHE A 10 -4.082 2.164 6.415 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.473 0.477 4.717 1.00 0.00 C ATOM 159 CE1 PHE A 10 -3.757 1.163 7.337 1.00 0.00 C ATOM 160 CE2 PHE A 10 -4.144 -0.523 5.641 1.00 0.00 C ATOM 161 CZ PHE A 10 -3.785 -0.180 6.950 1.00 0.00 C ATOM 0 H PHE A 10 -7.078 1.747 4.273 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.841 4.129 5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.968 2.477 3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.985 3.619 4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.057 3.202 6.713 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.751 0.211 3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.484 1.428 8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.167 -1.561 5.343 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.530 -0.952 7.660 1.00 0.00 H new ATOM 171 N ASP A 11 -7.603 4.345 2.870 1.00 0.00 N ATOM 172 CA ASP A 11 -8.076 5.371 1.897 1.00 0.00 C ATOM 173 C ASP A 11 -8.105 6.718 2.617 1.00 0.00 C ATOM 174 O ASP A 11 -9.135 7.233 3.000 1.00 0.00 O ATOM 175 CB ASP A 11 -9.476 5.013 1.387 1.00 0.00 C ATOM 176 CG ASP A 11 -10.486 5.080 2.535 1.00 0.00 C ATOM 177 OD1 ASP A 11 -10.069 5.324 3.655 1.00 0.00 O ATOM 178 OD2 ASP A 11 -11.662 4.886 2.275 1.00 0.00 O ATOM 0 H ASP A 11 -8.145 3.482 2.904 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.407 5.414 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.769 5.700 0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.470 4.012 0.956 1.00 0.00 H new ATOM 183 N LYS A 12 -6.953 7.280 2.788 1.00 0.00 N ATOM 184 CA LYS A 12 -6.827 8.588 3.473 1.00 0.00 C ATOM 185 C LYS A 12 -7.115 9.695 2.467 1.00 0.00 C ATOM 186 O LYS A 12 -7.292 10.846 2.812 1.00 0.00 O ATOM 187 CB LYS A 12 -5.402 8.676 4.017 1.00 0.00 C ATOM 188 CG LYS A 12 -4.656 9.882 3.452 1.00 0.00 C ATOM 189 CD LYS A 12 -3.237 9.876 4.020 1.00 0.00 C ATOM 190 CE LYS A 12 -2.291 10.626 3.078 1.00 0.00 C ATOM 191 NZ LYS A 12 -2.628 12.077 3.089 1.00 0.00 N ATOM 0 H LYS A 12 -6.069 6.879 2.474 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.534 8.694 4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.431 8.743 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.860 7.764 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.630 9.837 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.169 10.806 3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.229 10.344 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.894 8.850 4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.257 10.479 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.377 10.229 2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.915 12.603 2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.565 12.219 2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.640 12.423 4.070 1.00 0.00 H new ATOM 205 N ASN A 13 -7.208 9.325 1.227 1.00 0.00 N ATOM 206 CA ASN A 13 -7.534 10.310 0.153 1.00 0.00 C ATOM 207 C ASN A 13 -8.860 9.891 -0.498 1.00 0.00 C ATOM 208 O ASN A 13 -9.212 10.360 -1.561 1.00 0.00 O ATOM 209 CB ASN A 13 -6.423 10.310 -0.897 1.00 0.00 C ATOM 210 CG ASN A 13 -6.017 8.870 -1.215 1.00 0.00 C ATOM 211 OD1 ASN A 13 -4.855 8.586 -1.428 1.00 0.00 O ATOM 212 ND2 ASN A 13 -6.932 7.941 -1.258 1.00 0.00 N ATOM 0 H ASN A 13 -7.071 8.368 0.901 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.622 11.312 0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.765 10.810 -1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.562 10.869 -0.530 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.671 6.978 -1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.908 8.178 -1.079 1.00 0.00 H new ATOM 219 N LYS A 14 -9.585 9.002 0.148 1.00 0.00 N ATOM 220 CA LYS A 14 -10.886 8.522 -0.409 1.00 0.00 C ATOM 221 C LYS A 14 -10.832 8.687 -1.925 1.00 0.00 C ATOM 222 O LYS A 14 -11.696 9.270 -2.547 1.00 0.00 O ATOM 223 CB LYS A 14 -12.027 9.352 0.173 1.00 0.00 C ATOM 224 CG LYS A 14 -12.338 8.879 1.595 1.00 0.00 C ATOM 225 CD LYS A 14 -13.647 9.514 2.069 1.00 0.00 C ATOM 226 CE LYS A 14 -14.074 8.880 3.395 1.00 0.00 C ATOM 227 NZ LYS A 14 -15.493 9.238 3.682 1.00 0.00 N ATOM 0 H LYS A 14 -9.325 8.588 1.043 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.056 7.477 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.754 10.407 0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.914 9.258 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.419 7.792 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.524 9.153 2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.517 10.589 2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.425 9.371 1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.964 7.797 3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.429 9.229 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.784 8.808 4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.584 10.272 3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.102 8.884 2.917 1.00 0.00 H new ATOM 241 N ASP A 15 -9.767 8.205 -2.492 1.00 0.00 N ATOM 242 CA ASP A 15 -9.555 8.349 -3.945 1.00 0.00 C ATOM 243 C ASP A 15 -9.677 7.007 -4.635 1.00 0.00 C ATOM 244 O ASP A 15 -10.007 6.949 -5.802 1.00 0.00 O ATOM 245 CB ASP A 15 -8.157 8.920 -4.195 1.00 0.00 C ATOM 246 CG ASP A 15 -8.061 9.423 -5.636 1.00 0.00 C ATOM 247 OD1 ASP A 15 -9.015 9.237 -6.373 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.033 9.987 -5.979 1.00 0.00 O ATOM 0 H ASP A 15 -9.025 7.710 -1.998 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.313 9.021 -4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.956 9.735 -3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.402 8.154 -4.015 1.00 0.00 H new ATOM 253 N GLY A 16 -9.369 5.917 -3.979 1.00 0.00 N ATOM 254 CA GLY A 16 -9.430 4.618 -4.683 1.00 0.00 C ATOM 255 C GLY A 16 -8.010 4.314 -5.091 1.00 0.00 C ATOM 256 O GLY A 16 -7.741 3.467 -5.917 1.00 0.00 O ATOM 0 H GLY A 16 -9.083 5.877 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.827 3.838 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.085 4.673 -5.553 1.00 0.00 H new ATOM 260 N LYS A 17 -7.100 5.005 -4.458 1.00 0.00 N ATOM 261 CA LYS A 17 -5.665 4.806 -4.702 1.00 0.00 C ATOM 262 C LYS A 17 -4.908 5.183 -3.457 1.00 0.00 C ATOM 263 O LYS A 17 -5.325 6.012 -2.672 1.00 0.00 O ATOM 264 CB LYS A 17 -5.161 5.674 -5.832 1.00 0.00 C ATOM 265 CG LYS A 17 -5.820 5.281 -7.160 1.00 0.00 C ATOM 266 CD LYS A 17 -7.010 6.207 -7.437 1.00 0.00 C ATOM 267 CE LYS A 17 -6.501 7.521 -8.036 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.348 7.368 -9.511 1.00 0.00 N ATOM 0 H LYS A 17 -7.312 5.719 -3.762 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.512 3.760 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.371 6.721 -5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.079 5.577 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.096 5.350 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.155 4.244 -7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.707 5.727 -8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.556 6.402 -6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.198 8.329 -7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.546 7.792 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.002 8.260 -9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.667 6.608 -9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.268 7.129 -9.932 1.00 0.00 H new ATOM 282 N LEU A 18 -3.795 4.568 -3.286 1.00 0.00 N ATOM 283 CA LEU A 18 -2.961 4.844 -2.108 1.00 0.00 C ATOM 284 C LEU A 18 -1.634 5.411 -2.507 1.00 0.00 C ATOM 285 O LEU A 18 -1.143 5.200 -3.584 1.00 0.00 O ATOM 286 CB LEU A 18 -2.737 3.585 -1.358 1.00 0.00 C ATOM 287 CG LEU A 18 -3.485 3.652 -0.058 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.994 3.873 -0.232 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.190 2.358 0.634 1.00 0.00 C ATOM 0 H LEU A 18 -3.417 3.869 -3.926 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.481 5.573 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.077 2.732 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.672 3.441 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.161 4.514 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.471 3.911 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.166 4.813 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.418 3.052 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.704 2.334 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.535 1.528 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.116 2.268 0.795 1.00 0.00 H new ATOM 301 N SER A 19 -1.050 6.109 -1.605 1.00 0.00 N ATOM 302 CA SER A 19 0.269 6.710 -1.842 1.00 0.00 C ATOM 303 C SER A 19 1.289 5.936 -1.044 1.00 0.00 C ATOM 304 O SER A 19 0.973 5.322 -0.045 1.00 0.00 O ATOM 305 CB SER A 19 0.253 8.144 -1.352 1.00 0.00 C ATOM 306 OG SER A 19 -0.912 8.800 -1.838 1.00 0.00 O ATOM 0 H SER A 19 -1.442 6.296 -0.682 1.00 0.00 H new ATOM 0 HA SER A 19 0.513 6.685 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.268 8.167 -0.262 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.146 8.666 -1.694 1.00 0.00 H new ATOM 0 HG SER A 19 -1.600 8.805 -1.140 1.00 0.00 H new ATOM 312 N LEU A 20 2.509 5.971 -1.454 1.00 0.00 N ATOM 313 CA LEU A 20 3.540 5.250 -0.696 1.00 0.00 C ATOM 314 C LEU A 20 3.383 5.674 0.739 1.00 0.00 C ATOM 315 O LEU A 20 3.760 5.003 1.670 1.00 0.00 O ATOM 316 CB LEU A 20 4.895 5.683 -1.231 1.00 0.00 C ATOM 317 CG LEU A 20 6.009 4.771 -0.731 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.642 5.363 0.508 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.491 3.376 -0.396 1.00 0.00 C ATOM 0 H LEU A 20 2.838 6.468 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 20 3.453 4.167 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.877 5.674 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.098 6.709 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 20 6.743 4.686 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.437 4.706 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.058 6.342 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.887 5.468 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.316 2.757 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.732 3.447 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.055 2.926 -1.288 1.00 0.00 H new ATOM 331 N ASP A 21 2.761 6.780 0.887 1.00 0.00 N ATOM 332 CA ASP A 21 2.474 7.318 2.231 1.00 0.00 C ATOM 333 C ASP A 21 1.426 6.433 2.929 1.00 0.00 C ATOM 334 O ASP A 21 1.587 6.099 4.086 1.00 0.00 O ATOM 335 CB ASP A 21 1.948 8.750 2.112 1.00 0.00 C ATOM 336 CG ASP A 21 2.751 9.502 1.049 1.00 0.00 C ATOM 337 OD1 ASP A 21 2.844 9.000 -0.060 1.00 0.00 O ATOM 338 OD2 ASP A 21 3.258 10.566 1.360 1.00 0.00 O ATOM 0 H ASP A 21 2.426 7.358 0.116 1.00 0.00 H new ATOM 0 HA ASP A 21 3.390 7.322 2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.891 8.740 1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.029 9.259 3.072 1.00 0.00 H new ATOM 343 N GLU A 22 0.342 6.046 2.273 1.00 0.00 N ATOM 344 CA GLU A 22 -0.663 5.205 2.968 1.00 0.00 C ATOM 345 C GLU A 22 -0.141 3.775 3.095 1.00 0.00 C ATOM 346 O GLU A 22 -0.266 3.149 4.125 1.00 0.00 O ATOM 347 CB GLU A 22 -1.955 5.207 2.171 1.00 0.00 C ATOM 348 CG GLU A 22 -2.744 6.484 2.468 1.00 0.00 C ATOM 349 CD GLU A 22 -1.944 7.699 1.999 1.00 0.00 C ATOM 350 OE1 GLU A 22 -1.130 8.179 2.771 1.00 0.00 O ATOM 351 OE2 GLU A 22 -2.157 8.128 0.877 1.00 0.00 O ATOM 0 H GLU A 22 0.126 6.279 1.304 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.847 5.607 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.736 5.143 1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.552 4.332 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.709 6.454 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.946 6.559 3.536 1.00 0.00 H new ATOM 358 N PHE A 23 0.464 3.265 2.056 1.00 0.00 N ATOM 359 CA PHE A 23 1.021 1.904 2.106 1.00 0.00 C ATOM 360 C PHE A 23 2.215 1.920 3.064 1.00 0.00 C ATOM 361 O PHE A 23 2.566 0.917 3.643 1.00 0.00 O ATOM 362 CB PHE A 23 1.482 1.497 0.725 1.00 0.00 C ATOM 363 CG PHE A 23 2.208 0.177 0.773 1.00 0.00 C ATOM 364 CD1 PHE A 23 1.552 -0.968 1.232 1.00 0.00 C ATOM 365 CD2 PHE A 23 3.536 0.099 0.346 1.00 0.00 C ATOM 366 CE1 PHE A 23 2.228 -2.195 1.267 1.00 0.00 C ATOM 367 CE2 PHE A 23 4.212 -1.125 0.381 1.00 0.00 C ATOM 368 CZ PHE A 23 3.559 -2.273 0.842 1.00 0.00 C ATOM 0 H PHE A 23 0.592 3.749 1.167 1.00 0.00 H new ATOM 0 HA PHE A 23 0.268 1.194 2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.624 1.422 0.057 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.139 2.264 0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.525 -0.907 1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.041 0.984 -0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.722 -3.080 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.239 -1.184 0.052 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.081 -3.218 0.870 1.00 0.00 H new ATOM 378 N ARG A 24 2.824 3.073 3.261 1.00 0.00 N ATOM 379 CA ARG A 24 3.967 3.171 4.220 1.00 0.00 C ATOM 380 C ARG A 24 3.395 3.272 5.628 1.00 0.00 C ATOM 381 O ARG A 24 3.952 2.770 6.577 1.00 0.00 O ATOM 382 CB ARG A 24 4.803 4.410 3.916 1.00 0.00 C ATOM 383 CG ARG A 24 5.878 4.572 5.002 1.00 0.00 C ATOM 384 CD ARG A 24 7.268 4.749 4.384 1.00 0.00 C ATOM 385 NE ARG A 24 7.794 6.123 4.670 1.00 0.00 N ATOM 386 CZ ARG A 24 7.054 7.184 4.478 1.00 0.00 C ATOM 387 NH1 ARG A 24 5.875 7.073 3.931 1.00 0.00 N ATOM 388 NH2 ARG A 24 7.510 8.362 4.805 1.00 0.00 N ATOM 0 H ARG A 24 2.575 3.946 2.797 1.00 0.00 H new ATOM 0 HA ARG A 24 4.606 2.293 4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.270 4.317 2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.166 5.294 3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.642 5.434 5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.875 3.698 5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.950 4.000 4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.218 4.588 3.307 1.00 0.00 H new ATOM 0 HE ARG A 24 8.746 6.232 5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.527 6.156 3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.301 7.903 3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.442 8.454 5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.935 9.191 4.656 1.00 0.00 H new ATOM 402 N GLU A 25 2.238 3.854 5.744 1.00 0.00 N ATOM 403 CA GLU A 25 1.575 3.912 7.072 1.00 0.00 C ATOM 404 C GLU A 25 1.113 2.485 7.305 1.00 0.00 C ATOM 405 O GLU A 25 1.171 1.934 8.386 1.00 0.00 O ATOM 406 CB GLU A 25 0.377 4.864 7.024 1.00 0.00 C ATOM 407 CG GLU A 25 -0.264 4.946 8.410 1.00 0.00 C ATOM 408 CD GLU A 25 0.644 5.748 9.346 1.00 0.00 C ATOM 409 OE1 GLU A 25 1.005 6.856 8.983 1.00 0.00 O ATOM 410 OE2 GLU A 25 0.963 5.240 10.407 1.00 0.00 O ATOM 0 H GLU A 25 1.724 4.291 4.979 1.00 0.00 H new ATOM 0 HA GLU A 25 2.231 4.278 7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.698 5.854 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.352 4.512 6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.243 5.420 8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.422 3.944 8.809 1.00 0.00 H new ATOM 417 N VAL A 26 0.697 1.899 6.228 1.00 0.00 N ATOM 418 CA VAL A 26 0.243 0.490 6.177 1.00 0.00 C ATOM 419 C VAL A 26 1.431 -0.414 6.457 1.00 0.00 C ATOM 420 O VAL A 26 1.341 -1.420 7.133 1.00 0.00 O ATOM 421 CB VAL A 26 -0.171 0.277 4.719 1.00 0.00 C ATOM 422 CG1 VAL A 26 0.106 -1.142 4.232 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.626 0.611 4.493 1.00 0.00 C ATOM 0 H VAL A 26 0.651 2.371 5.325 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.553 0.279 6.891 1.00 0.00 H new ATOM 0 HB VAL A 26 0.445 0.963 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.207 -1.237 3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.173 -1.352 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.450 -1.852 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.879 0.446 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.248 -0.027 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.804 1.656 4.749 1.00 0.00 H new ATOM 433 N ALA A 27 2.538 -0.054 5.884 1.00 0.00 N ATOM 434 CA ALA A 27 3.762 -0.866 6.027 1.00 0.00 C ATOM 435 C ALA A 27 4.394 -0.599 7.388 1.00 0.00 C ATOM 436 O ALA A 27 5.025 -1.448 7.978 1.00 0.00 O ATOM 437 CB ALA A 27 4.744 -0.504 4.910 1.00 0.00 C ATOM 0 H ALA A 27 2.645 0.784 5.313 1.00 0.00 H new ATOM 0 HA ALA A 27 3.512 -1.925 5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.649 -1.102 5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.284 -0.705 3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.999 0.554 4.978 1.00 0.00 H new ATOM 443 N LEU A 28 4.219 0.587 7.879 1.00 0.00 N ATOM 444 CA LEU A 28 4.797 0.945 9.200 1.00 0.00 C ATOM 445 C LEU A 28 3.849 0.478 10.298 1.00 0.00 C ATOM 446 O LEU A 28 4.264 0.150 11.391 1.00 0.00 O ATOM 447 CB LEU A 28 4.963 2.467 9.297 1.00 0.00 C ATOM 448 CG LEU A 28 6.299 2.929 8.675 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.751 1.992 7.543 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.129 4.345 8.113 1.00 0.00 C ATOM 0 H LEU A 28 3.696 1.333 7.420 1.00 0.00 H new ATOM 0 HA LEU A 28 5.770 0.466 9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.134 2.958 8.788 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.921 2.773 10.342 1.00 0.00 H new ATOM 0 HG LEU A 28 7.059 2.912 9.456 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.694 2.349 7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.886 0.984 7.937 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.994 1.977 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.069 4.677 7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.351 4.342 7.349 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.846 5.024 8.917 1.00 0.00 H new ATOM 462 N ALA A 29 2.573 0.460 10.026 1.00 0.00 N ATOM 463 CA ALA A 29 1.585 0.038 11.051 1.00 0.00 C ATOM 464 C ALA A 29 1.543 -1.488 11.206 1.00 0.00 C ATOM 465 O ALA A 29 1.760 -2.019 12.278 1.00 0.00 O ATOM 466 CB ALA A 29 0.212 0.526 10.593 1.00 0.00 C ATOM 0 H ALA A 29 2.171 0.723 9.126 1.00 0.00 H new ATOM 0 HA ALA A 29 1.868 0.462 12.015 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.541 0.233 11.324 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.224 1.612 10.500 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.028 0.082 9.627 1.00 0.00 H new ATOM 472 N PHE A 30 1.219 -2.195 10.154 1.00 0.00 N ATOM 473 CA PHE A 30 1.112 -3.682 10.250 1.00 0.00 C ATOM 474 C PHE A 30 2.487 -4.343 10.155 1.00 0.00 C ATOM 475 O PHE A 30 2.810 -5.222 10.928 1.00 0.00 O ATOM 476 CB PHE A 30 0.229 -4.199 9.114 1.00 0.00 C ATOM 477 CG PHE A 30 0.025 -5.687 9.272 1.00 0.00 C ATOM 478 CD1 PHE A 30 0.944 -6.583 8.711 1.00 0.00 C ATOM 479 CD2 PHE A 30 -1.082 -6.171 9.980 1.00 0.00 C ATOM 480 CE1 PHE A 30 0.754 -7.962 8.858 1.00 0.00 C ATOM 481 CE2 PHE A 30 -1.271 -7.550 10.126 1.00 0.00 C ATOM 482 CZ PHE A 30 -0.353 -8.446 9.565 1.00 0.00 C ATOM 0 H PHE A 30 1.024 -1.806 9.231 1.00 0.00 H new ATOM 0 HA PHE A 30 0.674 -3.932 11.217 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.733 -3.686 9.124 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.694 -3.985 8.152 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.798 -6.210 8.166 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.790 -5.480 10.413 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.462 -8.653 8.426 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.125 -7.923 10.672 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.499 -9.510 9.678 1.00 0.00 H new ATOM 492 N SER A 31 3.290 -3.946 9.206 1.00 0.00 N ATOM 493 CA SER A 31 4.641 -4.567 9.055 1.00 0.00 C ATOM 494 C SER A 31 5.722 -3.531 9.371 1.00 0.00 C ATOM 495 O SER A 31 6.467 -3.127 8.501 1.00 0.00 O ATOM 496 CB SER A 31 4.811 -5.050 7.614 1.00 0.00 C ATOM 497 OG SER A 31 5.080 -3.934 6.774 1.00 0.00 O ATOM 0 H SER A 31 3.070 -3.218 8.527 1.00 0.00 H new ATOM 0 HA SER A 31 4.735 -5.408 9.742 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.627 -5.771 7.553 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.908 -5.562 7.281 1.00 0.00 H new ATOM 0 HG SER A 31 5.557 -4.235 5.973 1.00 0.00 H new ATOM 503 N PRO A 32 5.811 -3.100 10.603 1.00 0.00 N ATOM 504 CA PRO A 32 6.820 -2.091 11.016 1.00 0.00 C ATOM 505 C PRO A 32 8.228 -2.487 10.570 1.00 0.00 C ATOM 506 O PRO A 32 9.105 -1.655 10.446 1.00 0.00 O ATOM 507 CB PRO A 32 6.720 -2.039 12.552 1.00 0.00 C ATOM 508 CG PRO A 32 5.819 -3.166 12.955 1.00 0.00 C ATOM 509 CD PRO A 32 4.976 -3.526 11.733 1.00 0.00 C ATOM 0 HA PRO A 32 6.630 -1.121 10.557 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.704 -2.146 13.009 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.317 -1.082 12.883 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.402 -4.025 13.288 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.182 -2.871 13.789 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.762 -4.594 11.694 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.017 -3.009 11.741 1.00 0.00 H new ATOM 517 N TYR A 33 8.454 -3.750 10.333 1.00 0.00 N ATOM 518 CA TYR A 33 9.806 -4.192 9.901 1.00 0.00 C ATOM 519 C TYR A 33 9.990 -3.910 8.406 1.00 0.00 C ATOM 520 O TYR A 33 11.048 -4.141 7.856 1.00 0.00 O ATOM 521 CB TYR A 33 9.966 -5.696 10.168 1.00 0.00 C ATOM 522 CG TYR A 33 8.896 -6.159 11.131 1.00 0.00 C ATOM 523 CD1 TYR A 33 8.967 -5.801 12.482 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.831 -6.942 10.672 1.00 0.00 C ATOM 525 CE1 TYR A 33 7.975 -6.228 13.374 1.00 0.00 C ATOM 526 CE2 TYR A 33 6.839 -7.370 11.562 1.00 0.00 C ATOM 527 CZ TYR A 33 6.910 -7.012 12.913 1.00 0.00 C ATOM 528 OH TYR A 33 5.933 -7.433 13.791 1.00 0.00 O ATOM 0 H TYR A 33 7.760 -4.493 10.420 1.00 0.00 H new ATOM 0 HA TYR A 33 10.561 -3.643 10.464 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.892 -6.251 9.233 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.954 -5.899 10.582 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.787 -5.195 12.837 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.774 -7.217 9.629 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.031 -5.953 14.417 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.019 -7.976 11.206 1.00 0.00 H new ATOM 0 HH TYR A 33 5.267 -7.966 13.308 1.00 0.00 H new ATOM 538 N PHE A 34 8.982 -3.409 7.737 1.00 0.00 N ATOM 539 CA PHE A 34 9.153 -3.124 6.285 1.00 0.00 C ATOM 540 C PHE A 34 10.170 -2.021 6.130 1.00 0.00 C ATOM 541 O PHE A 34 10.021 -0.933 6.653 1.00 0.00 O ATOM 542 CB PHE A 34 7.827 -2.681 5.634 1.00 0.00 C ATOM 543 CG PHE A 34 7.198 -3.831 4.884 1.00 0.00 C ATOM 544 CD1 PHE A 34 7.185 -5.098 5.461 1.00 0.00 C ATOM 545 CD2 PHE A 34 6.632 -3.633 3.612 1.00 0.00 C ATOM 546 CE1 PHE A 34 6.610 -6.177 4.779 1.00 0.00 C ATOM 547 CE2 PHE A 34 6.057 -4.711 2.929 1.00 0.00 C ATOM 548 CZ PHE A 34 6.047 -5.984 3.512 1.00 0.00 C ATOM 0 H PHE A 34 8.065 -3.189 8.127 1.00 0.00 H new ATOM 0 HA PHE A 34 9.484 -4.036 5.789 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.141 -2.320 6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.009 -1.850 4.952 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.620 -5.249 6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.641 -2.651 3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.601 -7.158 5.230 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.621 -4.561 1.952 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.605 -6.816 2.985 1.00 0.00 H new ATOM 558 N THR A 35 11.213 -2.298 5.423 1.00 0.00 N ATOM 559 CA THR A 35 12.253 -1.277 5.238 1.00 0.00 C ATOM 560 C THR A 35 11.807 -0.289 4.183 1.00 0.00 C ATOM 561 O THR A 35 11.176 -0.632 3.206 1.00 0.00 O ATOM 562 CB THR A 35 13.559 -1.939 4.825 1.00 0.00 C ATOM 563 OG1 THR A 35 13.342 -3.326 4.607 1.00 0.00 O ATOM 564 CG2 THR A 35 14.552 -1.742 5.951 1.00 0.00 C ATOM 0 H THR A 35 11.389 -3.192 4.964 1.00 0.00 H new ATOM 0 HA THR A 35 12.414 -0.746 6.176 1.00 0.00 H new ATOM 0 HB THR A 35 13.939 -1.499 3.903 1.00 0.00 H new ATOM 0 HG1 THR A 35 14.184 -3.751 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.501 -2.207 5.684 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.705 -0.676 6.119 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.166 -2.201 6.861 1.00 0.00 H new ATOM 572 N GLN A 36 12.135 0.940 4.387 1.00 0.00 N ATOM 573 CA GLN A 36 11.741 1.986 3.430 1.00 0.00 C ATOM 574 C GLN A 36 12.148 1.580 2.021 1.00 0.00 C ATOM 575 O GLN A 36 11.500 1.929 1.065 1.00 0.00 O ATOM 576 CB GLN A 36 12.466 3.262 3.819 1.00 0.00 C ATOM 577 CG GLN A 36 11.870 4.451 3.063 1.00 0.00 C ATOM 578 CD GLN A 36 10.354 4.465 3.207 1.00 0.00 C ATOM 579 OE1 GLN A 36 9.833 4.115 4.244 1.00 0.00 O ATOM 580 NE2 GLN A 36 9.619 4.862 2.206 1.00 0.00 N ATOM 0 H GLN A 36 12.669 1.271 5.191 1.00 0.00 H new ATOM 0 HA GLN A 36 10.661 2.132 3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.383 3.425 4.894 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.528 3.171 3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 36 12.287 5.381 3.449 1.00 0.00 H new ATOM 0 HG3 GLN A 36 12.141 4.393 2.009 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.060 5.156 1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.603 4.879 2.294 1.00 0.00 H new ATOM 589 N GLU A 37 13.201 0.829 1.895 1.00 0.00 N ATOM 590 CA GLU A 37 13.634 0.386 0.541 1.00 0.00 C ATOM 591 C GLU A 37 12.677 -0.703 0.056 1.00 0.00 C ATOM 592 O GLU A 37 12.364 -0.794 -1.112 1.00 0.00 O ATOM 593 CB GLU A 37 15.059 -0.168 0.609 1.00 0.00 C ATOM 594 CG GLU A 37 15.991 0.889 1.203 1.00 0.00 C ATOM 595 CD GLU A 37 17.446 0.458 1.007 1.00 0.00 C ATOM 596 OE1 GLU A 37 17.677 -0.732 0.871 1.00 0.00 O ATOM 597 OE2 GLU A 37 18.304 1.326 0.996 1.00 0.00 O ATOM 0 H GLU A 37 13.781 0.502 2.668 1.00 0.00 H new ATOM 0 HA GLU A 37 13.618 1.229 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.080 -1.071 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.399 -0.449 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.818 1.852 0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.780 1.020 2.264 1.00 0.00 H new ATOM 604 N ASP A 38 12.198 -1.522 0.952 1.00 0.00 N ATOM 605 CA ASP A 38 11.248 -2.596 0.546 1.00 0.00 C ATOM 606 C ASP A 38 9.889 -1.967 0.234 1.00 0.00 C ATOM 607 O ASP A 38 9.205 -2.363 -0.687 1.00 0.00 O ATOM 608 CB ASP A 38 11.100 -3.604 1.696 1.00 0.00 C ATOM 609 CG ASP A 38 10.939 -5.018 1.129 1.00 0.00 C ATOM 610 OD1 ASP A 38 9.923 -5.272 0.502 1.00 0.00 O ATOM 611 OD2 ASP A 38 11.835 -5.821 1.332 1.00 0.00 O ATOM 0 H ASP A 38 12.423 -1.494 1.946 1.00 0.00 H new ATOM 0 HA ASP A 38 11.624 -3.111 -0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.974 -3.560 2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.235 -3.347 2.308 1.00 0.00 H new ATOM 616 N ILE A 39 9.494 -0.990 1.005 1.00 0.00 N ATOM 617 CA ILE A 39 8.178 -0.329 0.768 1.00 0.00 C ATOM 618 C ILE A 39 8.249 0.499 -0.512 1.00 0.00 C ATOM 619 O ILE A 39 7.358 0.477 -1.328 1.00 0.00 O ATOM 620 CB ILE A 39 7.849 0.605 1.941 1.00 0.00 C ATOM 621 CG1 ILE A 39 8.119 -0.104 3.267 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.369 0.989 1.897 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.322 0.922 4.392 1.00 0.00 C ATOM 0 H ILE A 39 10.028 -0.620 1.791 1.00 0.00 H new ATOM 0 HA ILE A 39 7.406 -1.093 0.677 1.00 0.00 H new ATOM 0 HB ILE A 39 8.473 1.495 1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.284 -0.761 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.004 -0.733 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.140 1.652 2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.153 1.499 0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.757 0.090 1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.513 0.401 5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.172 1.561 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.425 1.533 4.493 1.00 0.00 H new ATOM 635 N VAL A 40 9.301 1.247 -0.670 1.00 0.00 N ATOM 636 CA VAL A 40 9.457 2.103 -1.870 1.00 0.00 C ATOM 637 C VAL A 40 9.859 1.278 -3.075 1.00 0.00 C ATOM 638 O VAL A 40 9.351 1.482 -4.152 1.00 0.00 O ATOM 639 CB VAL A 40 10.507 3.138 -1.579 1.00 0.00 C ATOM 640 CG1 VAL A 40 10.067 3.905 -0.339 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.840 2.449 -1.352 1.00 0.00 C ATOM 0 H VAL A 40 10.072 1.301 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 40 8.506 2.583 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 40 10.625 3.830 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.809 4.666 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.106 4.382 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.971 3.216 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.605 3.197 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.757 1.766 -0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.117 1.889 -2.245 1.00 0.00 H new ATOM 651 N LYS A 41 10.737 0.326 -2.934 1.00 0.00 N ATOM 652 CA LYS A 41 11.073 -0.479 -4.129 1.00 0.00 C ATOM 653 C LYS A 41 9.770 -1.111 -4.574 1.00 0.00 C ATOM 654 O LYS A 41 9.319 -0.940 -5.688 1.00 0.00 O ATOM 655 CB LYS A 41 12.068 -1.582 -3.756 1.00 0.00 C ATOM 656 CG LYS A 41 12.477 -2.347 -5.017 1.00 0.00 C ATOM 657 CD LYS A 41 13.744 -3.159 -4.736 1.00 0.00 C ATOM 658 CE LYS A 41 13.474 -4.157 -3.604 1.00 0.00 C ATOM 659 NZ LYS A 41 13.549 -3.454 -2.293 1.00 0.00 N ATOM 0 H LYS A 41 11.221 0.079 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 41 11.524 0.133 -4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.947 -1.148 -3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.618 -2.264 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.670 -3.010 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.654 -1.650 -5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.055 -3.690 -5.636 1.00 0.00 H new ATOM 0 HD3 LYS A 41 14.561 -2.493 -4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.490 -4.609 -3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.203 -4.966 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.059 -4.049 -1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.053 -2.552 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.587 -3.270 -1.942 1.00 0.00 H new ATOM 673 N PHE A 42 9.165 -1.837 -3.682 1.00 0.00 N ATOM 674 CA PHE A 42 7.884 -2.511 -3.977 1.00 0.00 C ATOM 675 C PHE A 42 6.804 -1.493 -4.355 1.00 0.00 C ATOM 676 O PHE A 42 6.159 -1.624 -5.375 1.00 0.00 O ATOM 677 CB PHE A 42 7.468 -3.273 -2.724 1.00 0.00 C ATOM 678 CG PHE A 42 6.247 -4.108 -3.005 1.00 0.00 C ATOM 679 CD1 PHE A 42 6.224 -4.979 -4.104 1.00 0.00 C ATOM 680 CD2 PHE A 42 5.146 -4.027 -2.149 1.00 0.00 C ATOM 681 CE1 PHE A 42 5.093 -5.763 -4.345 1.00 0.00 C ATOM 682 CE2 PHE A 42 4.020 -4.813 -2.388 1.00 0.00 C ATOM 683 CZ PHE A 42 3.992 -5.680 -3.488 1.00 0.00 C ATOM 0 H PHE A 42 9.517 -1.993 -2.738 1.00 0.00 H new ATOM 0 HA PHE A 42 8.005 -3.188 -4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.285 -3.912 -2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.260 -2.572 -1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.078 -5.043 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.167 -3.356 -1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.069 -6.432 -5.192 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.169 -4.754 -1.725 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.118 -6.286 -3.674 1.00 0.00 H new ATOM 693 N PHE A 43 6.595 -0.474 -3.561 1.00 0.00 N ATOM 694 CA PHE A 43 5.551 0.527 -3.923 1.00 0.00 C ATOM 695 C PHE A 43 5.900 1.102 -5.285 1.00 0.00 C ATOM 696 O PHE A 43 5.095 1.146 -6.194 1.00 0.00 O ATOM 697 CB PHE A 43 5.567 1.628 -2.885 1.00 0.00 C ATOM 698 CG PHE A 43 4.704 2.782 -3.322 1.00 0.00 C ATOM 699 CD1 PHE A 43 5.183 3.712 -4.244 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.437 2.944 -2.763 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.389 4.798 -4.609 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.650 4.035 -3.123 1.00 0.00 C ATOM 703 CZ PHE A 43 3.124 4.962 -4.048 1.00 0.00 C ATOM 0 H PHE A 43 7.095 -0.294 -2.690 1.00 0.00 H new ATOM 0 HA PHE A 43 4.562 0.070 -3.957 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.210 1.241 -1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.589 1.971 -2.727 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.166 3.591 -4.674 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.066 2.223 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.755 5.515 -5.329 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.671 4.162 -2.685 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.512 5.806 -4.330 1.00 0.00 H new ATOM 713 N GLU A 44 7.126 1.486 -5.431 1.00 0.00 N ATOM 714 CA GLU A 44 7.575 2.000 -6.747 1.00 0.00 C ATOM 715 C GLU A 44 7.254 0.903 -7.770 1.00 0.00 C ATOM 716 O GLU A 44 6.922 1.160 -8.909 1.00 0.00 O ATOM 717 CB GLU A 44 9.080 2.275 -6.717 1.00 0.00 C ATOM 718 CG GLU A 44 9.368 3.478 -5.808 1.00 0.00 C ATOM 719 CD GLU A 44 9.263 4.772 -6.619 1.00 0.00 C ATOM 720 OE1 GLU A 44 8.153 5.157 -6.943 1.00 0.00 O ATOM 721 OE2 GLU A 44 10.297 5.356 -6.900 1.00 0.00 O ATOM 0 H GLU A 44 7.838 1.468 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 44 7.076 2.935 -7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.613 1.396 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.443 2.474 -7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.660 3.498 -4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.364 3.389 -5.374 1.00 0.00 H new ATOM 728 N GLU A 45 7.351 -0.331 -7.336 1.00 0.00 N ATOM 729 CA GLU A 45 7.060 -1.498 -8.213 1.00 0.00 C ATOM 730 C GLU A 45 5.551 -1.729 -8.369 1.00 0.00 C ATOM 731 O GLU A 45 5.076 -2.075 -9.431 1.00 0.00 O ATOM 732 CB GLU A 45 7.650 -2.749 -7.562 1.00 0.00 C ATOM 733 CG GLU A 45 8.118 -3.717 -8.643 1.00 0.00 C ATOM 734 CD GLU A 45 6.940 -4.088 -9.545 1.00 0.00 C ATOM 735 OE1 GLU A 45 5.902 -4.448 -9.014 1.00 0.00 O ATOM 736 OE2 GLU A 45 7.094 -4.005 -10.752 1.00 0.00 O ATOM 0 H GLU A 45 7.627 -0.579 -6.386 1.00 0.00 H new ATOM 0 HA GLU A 45 7.492 -1.299 -9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.486 -2.476 -6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.903 -3.228 -6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.912 -3.261 -9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.536 -4.614 -8.186 1.00 0.00 H new ATOM 743 N ILE A 46 4.801 -1.584 -7.308 1.00 0.00 N ATOM 744 CA ILE A 46 3.336 -1.848 -7.399 1.00 0.00 C ATOM 745 C ILE A 46 2.612 -0.621 -7.952 1.00 0.00 C ATOM 746 O ILE A 46 1.706 -0.743 -8.749 1.00 0.00 O ATOM 747 CB ILE A 46 2.792 -2.248 -6.015 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.793 -3.398 -6.176 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.092 -1.076 -5.345 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.523 -4.685 -6.578 1.00 0.00 C ATOM 0 H ILE A 46 5.137 -1.296 -6.389 1.00 0.00 H new ATOM 0 HA ILE A 46 3.158 -2.675 -8.086 1.00 0.00 H new ATOM 0 HB ILE A 46 3.631 -2.557 -5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.254 -3.554 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.051 -3.141 -6.932 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.717 -1.385 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.797 -0.255 -5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.259 -0.747 -5.966 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.801 -5.494 -6.689 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.041 -4.529 -7.524 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.247 -4.949 -5.807 1.00 0.00 H new ATOM 762 N ASP A 47 3.013 0.561 -7.582 1.00 0.00 N ATOM 763 CA ASP A 47 2.341 1.753 -8.157 1.00 0.00 C ATOM 764 C ASP A 47 2.651 1.741 -9.647 1.00 0.00 C ATOM 765 O ASP A 47 3.562 2.400 -10.105 1.00 0.00 O ATOM 766 CB ASP A 47 2.901 3.028 -7.525 1.00 0.00 C ATOM 767 CG ASP A 47 2.181 4.246 -8.107 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.325 4.054 -8.956 1.00 0.00 O ATOM 769 OD2 ASP A 47 2.498 5.350 -7.695 1.00 0.00 O ATOM 0 H ASP A 47 3.764 0.751 -6.918 1.00 0.00 H new ATOM 0 HA ASP A 47 1.267 1.729 -7.970 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.770 2.998 -6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.972 3.100 -7.715 1.00 0.00 H new ATOM 774 N VAL A 48 1.937 0.956 -10.410 1.00 0.00 N ATOM 775 CA VAL A 48 2.207 0.836 -11.870 1.00 0.00 C ATOM 776 C VAL A 48 1.716 2.034 -12.662 1.00 0.00 C ATOM 777 O VAL A 48 2.177 2.301 -13.755 1.00 0.00 O ATOM 778 CB VAL A 48 1.395 -0.360 -12.352 1.00 0.00 C ATOM 779 CG1 VAL A 48 -0.085 -0.152 -11.990 1.00 0.00 C ATOM 780 CG2 VAL A 48 1.524 -0.487 -13.871 1.00 0.00 C ATOM 0 H VAL A 48 1.163 0.382 -10.074 1.00 0.00 H new ATOM 0 HA VAL A 48 3.283 0.748 -12.017 1.00 0.00 H new ATOM 0 HB VAL A 48 1.769 -1.266 -11.875 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.667 -1.007 -12.334 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.185 -0.056 -10.909 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.453 0.755 -12.470 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.943 -1.343 -14.215 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.150 0.420 -14.345 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.572 -0.629 -14.137 1.00 0.00 H new ATOM 790 N ASP A 49 0.752 2.717 -12.160 1.00 0.00 N ATOM 791 CA ASP A 49 0.190 3.851 -12.930 1.00 0.00 C ATOM 792 C ASP A 49 1.125 5.042 -12.817 1.00 0.00 C ATOM 793 O ASP A 49 1.056 5.980 -13.586 1.00 0.00 O ATOM 794 CB ASP A 49 -1.210 4.157 -12.392 1.00 0.00 C ATOM 795 CG ASP A 49 -1.316 5.624 -11.975 1.00 0.00 C ATOM 796 OD1 ASP A 49 -0.820 5.948 -10.911 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.893 6.393 -12.726 1.00 0.00 O ATOM 0 H ASP A 49 0.322 2.547 -11.251 1.00 0.00 H new ATOM 0 HA ASP A 49 0.100 3.606 -13.988 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.956 3.935 -13.156 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.426 3.514 -11.539 1.00 0.00 H new ATOM 802 N GLY A 50 2.030 4.990 -11.890 1.00 0.00 N ATOM 803 CA GLY A 50 3.016 6.080 -11.740 1.00 0.00 C ATOM 804 C GLY A 50 2.367 7.380 -11.254 1.00 0.00 C ATOM 805 O GLY A 50 3.001 8.416 -11.234 1.00 0.00 O ATOM 0 H GLY A 50 2.128 4.226 -11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.789 5.775 -11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.509 6.257 -12.696 1.00 0.00 H new ATOM 809 N ASN A 51 1.132 7.351 -10.840 1.00 0.00 N ATOM 810 CA ASN A 51 0.508 8.604 -10.341 1.00 0.00 C ATOM 811 C ASN A 51 1.047 8.843 -8.941 1.00 0.00 C ATOM 812 O ASN A 51 0.588 9.700 -8.213 1.00 0.00 O ATOM 813 CB ASN A 51 -1.015 8.463 -10.292 1.00 0.00 C ATOM 814 CG ASN A 51 -1.637 9.813 -9.928 1.00 0.00 C ATOM 815 OD1 ASN A 51 -1.096 10.851 -10.251 1.00 0.00 O ATOM 816 ND2 ASN A 51 -2.761 9.842 -9.264 1.00 0.00 N ATOM 0 H ASN A 51 0.535 6.524 -10.826 1.00 0.00 H new ATOM 0 HA ASN A 51 0.744 9.437 -11.003 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.392 8.125 -11.257 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.298 7.709 -9.557 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.184 10.736 -9.017 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.216 8.970 -8.993 1.00 0.00 H new ATOM 823 N GLY A 52 2.032 8.073 -8.568 1.00 0.00 N ATOM 824 CA GLY A 52 2.626 8.224 -7.222 1.00 0.00 C ATOM 825 C GLY A 52 1.709 7.572 -6.190 1.00 0.00 C ATOM 826 O GLY A 52 1.793 7.847 -5.010 1.00 0.00 O ATOM 0 H GLY A 52 2.449 7.343 -9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.612 7.761 -7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.763 9.280 -6.989 1.00 0.00 H new ATOM 830 N GLU A 53 0.818 6.720 -6.627 1.00 0.00 N ATOM 831 CA GLU A 53 -0.116 6.064 -5.667 1.00 0.00 C ATOM 832 C GLU A 53 -0.418 4.639 -6.110 1.00 0.00 C ATOM 833 O GLU A 53 -0.325 4.297 -7.272 1.00 0.00 O ATOM 834 CB GLU A 53 -1.437 6.859 -5.600 1.00 0.00 C ATOM 835 CG GLU A 53 -1.205 8.299 -6.066 1.00 0.00 C ATOM 836 CD GLU A 53 -2.506 9.091 -5.942 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.350 8.688 -5.158 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.639 10.087 -6.633 1.00 0.00 O ATOM 0 H GLU A 53 0.698 6.452 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 53 0.356 6.043 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.190 6.382 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.822 6.855 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.424 8.766 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.859 8.307 -7.100 1.00 0.00 H new ATOM 845 N LEU A 54 -0.809 3.813 -5.182 1.00 0.00 N ATOM 846 CA LEU A 54 -1.155 2.426 -5.518 1.00 0.00 C ATOM 847 C LEU A 54 -2.558 2.400 -6.083 1.00 0.00 C ATOM 848 O LEU A 54 -3.446 3.044 -5.571 1.00 0.00 O ATOM 849 CB LEU A 54 -1.196 1.595 -4.252 1.00 0.00 C ATOM 850 CG LEU A 54 0.160 1.474 -3.568 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.328 1.850 -4.485 1.00 0.00 C ATOM 852 CD2 LEU A 54 0.119 2.371 -2.359 1.00 0.00 C ATOM 0 H LEU A 54 -0.901 4.053 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.420 2.039 -6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.908 2.039 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.565 0.598 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 54 0.335 0.434 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.267 1.744 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.335 1.191 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.214 2.883 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.073 2.318 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.065 3.398 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.681 2.047 -1.693 1.00 0.00 H new ATOM 864 N ASN A 55 -2.779 1.662 -7.118 1.00 0.00 N ATOM 865 CA ASN A 55 -4.162 1.588 -7.676 1.00 0.00 C ATOM 866 C ASN A 55 -4.880 0.419 -7.010 1.00 0.00 C ATOM 867 O ASN A 55 -4.320 -0.287 -6.200 1.00 0.00 O ATOM 868 CB ASN A 55 -4.161 1.377 -9.195 1.00 0.00 C ATOM 869 CG ASN A 55 -2.762 1.019 -9.680 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.786 1.618 -9.273 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.628 0.059 -10.545 1.00 0.00 N ATOM 0 H ASN A 55 -2.076 1.107 -7.606 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.667 2.533 -7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.859 0.582 -9.459 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.506 2.282 -9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.701 -0.195 -10.885 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.450 -0.441 -10.884 1.00 0.00 H new ATOM 878 N ALA A 56 -6.121 0.237 -7.325 1.00 0.00 N ATOM 879 CA ALA A 56 -6.910 -0.851 -6.682 1.00 0.00 C ATOM 880 C ALA A 56 -6.336 -2.257 -6.969 1.00 0.00 C ATOM 881 O ALA A 56 -5.970 -2.993 -6.052 1.00 0.00 O ATOM 882 CB ALA A 56 -8.359 -0.728 -7.162 1.00 0.00 C ATOM 0 H ALA A 56 -6.634 0.797 -8.006 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.857 -0.736 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.961 -1.514 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.756 0.246 -6.875 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.393 -0.828 -8.247 1.00 0.00 H new ATOM 888 N ASP A 57 -6.241 -2.652 -8.205 1.00 0.00 N ATOM 889 CA ASP A 57 -5.690 -4.011 -8.489 1.00 0.00 C ATOM 890 C ASP A 57 -4.281 -4.112 -7.901 1.00 0.00 C ATOM 891 O ASP A 57 -3.809 -5.177 -7.528 1.00 0.00 O ATOM 892 CB ASP A 57 -5.630 -4.232 -10.002 1.00 0.00 C ATOM 893 CG ASP A 57 -5.098 -5.636 -10.293 1.00 0.00 C ATOM 894 OD1 ASP A 57 -5.769 -6.590 -9.931 1.00 0.00 O ATOM 895 OD2 ASP A 57 -4.030 -5.735 -10.875 1.00 0.00 O ATOM 0 H ASP A 57 -6.515 -2.106 -9.022 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.331 -4.769 -8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.622 -4.110 -10.437 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.985 -3.484 -10.464 1.00 0.00 H new ATOM 900 N GLU A 58 -3.612 -3.003 -7.815 1.00 0.00 N ATOM 901 CA GLU A 58 -2.240 -3.012 -7.265 1.00 0.00 C ATOM 902 C GLU A 58 -2.354 -3.144 -5.757 1.00 0.00 C ATOM 903 O GLU A 58 -1.508 -3.729 -5.113 1.00 0.00 O ATOM 904 CB GLU A 58 -1.483 -1.740 -7.684 1.00 0.00 C ATOM 905 CG GLU A 58 -1.047 -1.858 -9.151 1.00 0.00 C ATOM 906 CD GLU A 58 -0.117 -3.061 -9.340 1.00 0.00 C ATOM 907 OE1 GLU A 58 -0.620 -4.137 -9.616 1.00 0.00 O ATOM 908 OE2 GLU A 58 1.084 -2.883 -9.217 1.00 0.00 O ATOM 0 H GLU A 58 -3.959 -2.088 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.665 -3.851 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.121 -0.866 -7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.611 -1.597 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.924 -1.965 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.538 -0.945 -9.460 1.00 0.00 H new ATOM 915 N PHE A 59 -3.422 -2.651 -5.182 1.00 0.00 N ATOM 916 CA PHE A 59 -3.579 -2.821 -3.717 1.00 0.00 C ATOM 917 C PHE A 59 -3.504 -4.305 -3.422 1.00 0.00 C ATOM 918 O PHE A 59 -2.901 -4.739 -2.467 1.00 0.00 O ATOM 919 CB PHE A 59 -4.971 -2.450 -3.212 1.00 0.00 C ATOM 920 CG PHE A 59 -5.414 -1.075 -3.557 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.501 -0.081 -3.869 1.00 0.00 C ATOM 922 CD2 PHE A 59 -6.785 -0.805 -3.544 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.960 1.191 -4.181 1.00 0.00 C ATOM 924 CE2 PHE A 59 -7.245 0.465 -3.861 1.00 0.00 C ATOM 925 CZ PHE A 59 -6.335 1.461 -4.183 1.00 0.00 C ATOM 0 H PHE A 59 -4.173 -2.150 -5.656 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.818 -2.195 -3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.691 -3.161 -3.618 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.990 -2.561 -2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.442 -0.294 -3.869 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.487 -1.585 -3.287 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.256 1.974 -4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.304 0.677 -3.857 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.688 2.450 -4.437 1.00 0.00 H new ATOM 935 N THR A 60 -4.150 -5.093 -4.244 1.00 0.00 N ATOM 936 CA THR A 60 -4.156 -6.560 -4.010 1.00 0.00 C ATOM 937 C THR A 60 -2.755 -7.108 -4.172 1.00 0.00 C ATOM 938 O THR A 60 -2.250 -7.793 -3.309 1.00 0.00 O ATOM 939 CB THR A 60 -5.103 -7.218 -5.007 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.556 -7.125 -6.315 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.444 -6.493 -4.952 1.00 0.00 C ATOM 0 H THR A 60 -4.671 -4.781 -5.064 1.00 0.00 H new ATOM 0 HA THR A 60 -4.497 -6.774 -2.997 1.00 0.00 H new ATOM 0 HB THR A 60 -5.241 -8.270 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.338 -6.190 -6.513 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.135 -6.951 -5.660 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.856 -6.565 -3.945 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.301 -5.444 -5.211 1.00 0.00 H new ATOM 949 N SER A 61 -2.111 -6.807 -5.252 1.00 0.00 N ATOM 950 CA SER A 61 -0.727 -7.311 -5.425 1.00 0.00 C ATOM 951 C SER A 61 0.163 -6.651 -4.368 1.00 0.00 C ATOM 952 O SER A 61 1.200 -7.186 -3.964 1.00 0.00 O ATOM 953 CB SER A 61 -0.219 -6.937 -6.819 1.00 0.00 C ATOM 954 OG SER A 61 0.896 -7.754 -7.146 1.00 0.00 O ATOM 0 H SER A 61 -2.475 -6.240 -6.018 1.00 0.00 H new ATOM 0 HA SER A 61 -0.706 -8.395 -5.314 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.011 -7.071 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.066 -5.885 -6.845 1.00 0.00 H new ATOM 0 HG SER A 61 1.223 -7.518 -8.039 1.00 0.00 H new ATOM 960 N CYS A 62 -0.281 -5.543 -3.824 1.00 0.00 N ATOM 961 CA CYS A 62 0.514 -4.891 -2.758 1.00 0.00 C ATOM 962 C CYS A 62 0.449 -5.772 -1.530 1.00 0.00 C ATOM 963 O CYS A 62 1.444 -6.049 -0.889 1.00 0.00 O ATOM 964 CB CYS A 62 -0.064 -3.510 -2.436 1.00 0.00 C ATOM 965 SG CYS A 62 1.127 -2.575 -1.446 1.00 0.00 S ATOM 0 H CYS A 62 -1.151 -5.073 -4.074 1.00 0.00 H new ATOM 0 HA CYS A 62 1.546 -4.761 -3.084 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.288 -2.973 -3.358 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.003 -3.614 -1.892 1.00 0.00 H new ATOM 0 HG CYS A 62 1.082 -2.984 -0.213 1.00 0.00 H new ATOM 971 N ILE A 63 -0.720 -6.235 -1.208 1.00 0.00 N ATOM 972 CA ILE A 63 -0.844 -7.121 -0.038 1.00 0.00 C ATOM 973 C ILE A 63 -0.328 -8.490 -0.430 1.00 0.00 C ATOM 974 O ILE A 63 0.286 -9.165 0.371 1.00 0.00 O ATOM 975 CB ILE A 63 -2.302 -7.208 0.415 1.00 0.00 C ATOM 976 CG1 ILE A 63 -2.888 -5.799 0.534 1.00 0.00 C ATOM 977 CG2 ILE A 63 -2.369 -7.894 1.780 1.00 0.00 C ATOM 978 CD1 ILE A 63 -1.862 -4.857 1.164 1.00 0.00 C ATOM 0 H ILE A 63 -1.589 -6.037 -1.705 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.262 -6.726 0.795 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.873 -7.781 -0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.175 -5.431 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.793 -5.823 1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.408 -7.957 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.951 -8.898 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.796 -7.317 2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.288 -3.857 1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.597 -5.220 2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.969 -4.822 0.540 1.00 0.00 H new ATOM 990 N GLU A 64 -0.536 -8.931 -1.653 1.00 0.00 N ATOM 991 CA GLU A 64 -0.012 -10.255 -2.040 1.00 0.00 C ATOM 992 C GLU A 64 1.434 -10.341 -1.606 1.00 0.00 C ATOM 993 O GLU A 64 1.923 -11.412 -1.306 1.00 0.00 O ATOM 994 CB GLU A 64 -0.107 -10.427 -3.558 1.00 0.00 C ATOM 995 CG GLU A 64 0.185 -11.882 -3.927 1.00 0.00 C ATOM 996 CD GLU A 64 -1.011 -12.757 -3.547 1.00 0.00 C ATOM 997 OE1 GLU A 64 -2.125 -12.376 -3.871 1.00 0.00 O ATOM 998 OE2 GLU A 64 -0.794 -13.792 -2.938 1.00 0.00 O ATOM 0 H GLU A 64 -1.042 -8.427 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.595 -11.042 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.101 -10.146 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.603 -9.765 -4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.384 -11.964 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.080 -12.227 -3.409 1.00 0.00 H new ATOM 1005 N LYS A 65 2.133 -9.229 -1.513 1.00 0.00 N ATOM 1006 CA LYS A 65 3.535 -9.340 -1.020 1.00 0.00 C ATOM 1007 C LYS A 65 3.504 -10.187 0.263 1.00 0.00 C ATOM 1008 O LYS A 65 4.511 -10.667 0.747 1.00 0.00 O ATOM 1009 CB LYS A 65 4.087 -7.949 -0.708 1.00 0.00 C ATOM 1010 CG LYS A 65 5.617 -7.996 -0.700 1.00 0.00 C ATOM 1011 CD LYS A 65 6.168 -6.595 -0.965 1.00 0.00 C ATOM 1012 CE LYS A 65 7.606 -6.485 -0.440 1.00 0.00 C ATOM 1013 NZ LYS A 65 7.580 -6.193 1.021 1.00 0.00 N ATOM 0 H LYS A 65 1.807 -8.291 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 65 4.173 -9.802 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.739 -7.233 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.718 -7.608 0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.976 -8.364 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.975 -8.690 -1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.146 -6.383 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.537 -5.850 -0.480 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.145 -7.414 -0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.139 -5.696 -0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.510 -5.837 1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.855 -5.474 1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.357 -7.063 1.545 1.00 0.00 H new ATOM 1027 N MET A 66 2.320 -10.384 0.781 1.00 0.00 N ATOM 1028 CA MET A 66 2.102 -11.198 1.985 1.00 0.00 C ATOM 1029 C MET A 66 0.631 -11.595 1.940 1.00 0.00 C ATOM 1030 O MET A 66 -0.030 -11.417 0.936 1.00 0.00 O ATOM 1031 CB MET A 66 2.390 -10.372 3.243 1.00 0.00 C ATOM 1032 CG MET A 66 1.664 -9.028 3.151 1.00 0.00 C ATOM 1033 SD MET A 66 1.795 -8.164 4.735 1.00 0.00 S ATOM 1034 CE MET A 66 3.389 -7.364 4.427 1.00 0.00 C ATOM 0 H MET A 66 1.465 -9.989 0.390 1.00 0.00 H new ATOM 0 HA MET A 66 2.759 -12.068 2.014 1.00 0.00 H new ATOM 0 HB2 MET A 66 2.062 -10.914 4.130 1.00 0.00 H new ATOM 0 HB3 MET A 66 3.463 -10.211 3.347 1.00 0.00 H new ATOM 0 HG2 MET A 66 2.098 -8.421 2.356 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.616 -9.185 2.896 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.910 -7.214 5.373 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.993 -7.996 3.776 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.225 -6.399 3.947 1.00 0.00 H new ATOM 1044 N LEU A 67 0.103 -12.125 2.985 1.00 0.00 N ATOM 1045 CA LEU A 67 -1.333 -12.523 2.968 1.00 0.00 C ATOM 1046 C LEU A 67 -1.587 -13.445 1.770 1.00 0.00 C ATOM 1047 CB LEU A 67 -2.211 -11.267 2.848 1.00 0.00 C ATOM 1048 CG LEU A 67 -3.604 -11.529 3.447 1.00 0.00 C ATOM 1049 CD1 LEU A 67 -4.211 -12.782 2.812 1.00 0.00 C ATOM 1050 CD2 LEU A 67 -3.497 -11.722 4.968 1.00 0.00 C ATOM 0 H LEU A 67 0.595 -12.306 3.860 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.580 -13.048 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.737 -10.433 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.306 -10.980 1.801 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.245 -10.671 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.197 -12.965 3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.302 -12.637 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.566 -13.639 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.488 -11.907 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.850 -12.573 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.077 -10.824 5.420 1.00 0.00 H new TER 1062 LEU A 67