USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 508 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 Set 1.1: A 6 SER OG : rot 150:sc= -0.136 USER MOD Set 1.2: A 63 SER OG : rot -130:sc= 0.0092 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 26:sc= 0.0883! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.9!) USER MOD Single : A 19 GLN : amide:sc= -0.0831 X(o=-0.083,f=-0.059) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= -0.143 (180deg=-0.344) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00841) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.04 X(o=-0.04,f=-0.2) USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= -0.625 (180deg=-1.48) USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= -0.609 (180deg=-1.66!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : A 48 HIS : no HD1:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 111:sc= 0.154 USER MOD Single : A 66 SER OG : rot 40:sc= 1.1 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.447 -19.691 -4.535 1.00 0.00 N ATOM 2 CA GLY A 1 -9.608 -20.052 -5.662 1.00 0.00 C ATOM 3 C GLY A 1 -9.041 -18.840 -6.375 1.00 0.00 C ATOM 4 O GLY A 1 -7.972 -18.345 -6.019 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.810 -20.554 -4.082 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.889 -19.147 -3.847 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.245 -19.113 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.789 -20.681 -5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.189 -20.646 -6.368 1.00 0.00 H new ATOM 8 N SER A 2 -9.759 -18.362 -7.387 1.00 0.00 N ATOM 9 CA SER A 2 -9.319 -17.203 -8.156 1.00 0.00 C ATOM 10 C SER A 2 -8.809 -16.101 -7.233 1.00 0.00 C ATOM 11 O SER A 2 -7.721 -15.561 -7.434 1.00 0.00 O ATOM 12 CB SER A 2 -10.464 -16.673 -9.019 1.00 0.00 C ATOM 13 OG SER A 2 -10.846 -17.622 -9.999 1.00 0.00 O ATOM 0 H SER A 2 -10.647 -18.759 -7.693 1.00 0.00 H new ATOM 0 HA SER A 2 -8.501 -17.517 -8.804 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.319 -16.434 -8.387 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.158 -15.747 -9.505 1.00 0.00 H new ATOM 0 HG SER A 2 -11.581 -17.259 -10.536 1.00 0.00 H new ATOM 19 N SER A 3 -9.604 -15.771 -6.220 1.00 0.00 N ATOM 20 CA SER A 3 -9.237 -14.730 -5.267 1.00 0.00 C ATOM 21 C SER A 3 -9.464 -15.200 -3.834 1.00 0.00 C ATOM 22 O SER A 3 -10.098 -16.228 -3.599 1.00 0.00 O ATOM 23 CB SER A 3 -10.044 -13.458 -5.533 1.00 0.00 C ATOM 24 OG SER A 3 -9.751 -12.926 -6.813 1.00 0.00 O ATOM 0 H SER A 3 -10.507 -16.210 -6.038 1.00 0.00 H new ATOM 0 HA SER A 3 -8.177 -14.512 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.109 -13.678 -5.462 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.821 -12.715 -4.767 1.00 0.00 H new ATOM 0 HG SER A 3 -10.281 -12.115 -6.959 1.00 0.00 H new ATOM 30 N GLY A 4 -8.941 -14.439 -2.877 1.00 0.00 N ATOM 31 CA GLY A 4 -9.098 -14.793 -1.479 1.00 0.00 C ATOM 32 C GLY A 4 -8.531 -13.740 -0.547 1.00 0.00 C ATOM 33 O GLY A 4 -9.271 -12.918 -0.006 1.00 0.00 O ATOM 0 H GLY A 4 -8.411 -13.584 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.156 -14.936 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.602 -15.745 -1.291 1.00 0.00 H new ATOM 37 N SER A 5 -7.216 -13.764 -0.358 1.00 0.00 N ATOM 38 CA SER A 5 -6.551 -12.808 0.519 1.00 0.00 C ATOM 39 C SER A 5 -5.626 -11.892 -0.277 1.00 0.00 C ATOM 40 O SER A 5 -4.791 -12.358 -1.053 1.00 0.00 O ATOM 41 CB SER A 5 -5.755 -13.542 1.599 1.00 0.00 C ATOM 42 OG SER A 5 -4.604 -14.163 1.051 1.00 0.00 O ATOM 0 H SER A 5 -6.589 -14.436 -0.801 1.00 0.00 H new ATOM 0 HA SER A 5 -7.317 -12.196 0.995 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.457 -12.839 2.377 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.386 -14.293 2.073 1.00 0.00 H new ATOM 0 HG SER A 5 -4.329 -13.685 0.241 1.00 0.00 H new ATOM 48 N SER A 6 -5.781 -10.587 -0.079 1.00 0.00 N ATOM 49 CA SER A 6 -4.963 -9.605 -0.781 1.00 0.00 C ATOM 50 C SER A 6 -3.528 -9.623 -0.262 1.00 0.00 C ATOM 51 O SER A 6 -2.578 -9.730 -1.036 1.00 0.00 O ATOM 52 CB SER A 6 -5.558 -8.205 -0.619 1.00 0.00 C ATOM 53 OG SER A 6 -5.668 -7.853 0.750 1.00 0.00 O ATOM 0 H SER A 6 -6.465 -10.185 0.562 1.00 0.00 H new ATOM 0 HA SER A 6 -4.952 -9.867 -1.839 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.931 -7.478 -1.135 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.541 -8.168 -1.088 1.00 0.00 H new ATOM 0 HG SER A 6 -5.577 -6.882 0.846 1.00 0.00 H new ATOM 59 N GLY A 7 -3.380 -9.518 1.055 1.00 0.00 N ATOM 60 CA GLY A 7 -2.059 -9.524 1.655 1.00 0.00 C ATOM 61 C GLY A 7 -1.023 -8.841 0.785 1.00 0.00 C ATOM 62 O GLY A 7 -1.033 -7.619 0.638 1.00 0.00 O ATOM 0 H GLY A 7 -4.151 -9.429 1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.101 -9.025 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.752 -10.553 1.840 1.00 0.00 H new ATOM 66 N LYS A 8 -0.125 -9.631 0.206 1.00 0.00 N ATOM 67 CA LYS A 8 0.923 -9.097 -0.655 1.00 0.00 C ATOM 68 C LYS A 8 0.416 -7.897 -1.449 1.00 0.00 C ATOM 69 O LYS A 8 1.068 -6.855 -1.500 1.00 0.00 O ATOM 70 CB LYS A 8 1.428 -10.180 -1.611 1.00 0.00 C ATOM 71 CG LYS A 8 2.451 -11.113 -0.988 1.00 0.00 C ATOM 72 CD LYS A 8 3.806 -10.439 -0.845 1.00 0.00 C ATOM 73 CE LYS A 8 4.605 -10.514 -2.137 1.00 0.00 C ATOM 74 NZ LYS A 8 5.372 -11.786 -2.242 1.00 0.00 N ATOM 0 H LYS A 8 -0.102 -10.645 0.318 1.00 0.00 H new ATOM 0 HA LYS A 8 1.747 -8.769 -0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.579 -10.767 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.869 -9.703 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.100 -11.438 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.551 -12.007 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.666 -9.396 -0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.367 -10.915 -0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.929 -10.426 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.293 -9.670 -2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.903 -11.798 -3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.035 -11.858 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.714 -12.591 -2.219 1.00 0.00 H new ATOM 88 N ALA A 9 -0.750 -8.053 -2.066 1.00 0.00 N ATOM 89 CA ALA A 9 -1.346 -6.981 -2.855 1.00 0.00 C ATOM 90 C ALA A 9 -2.072 -5.981 -1.962 1.00 0.00 C ATOM 91 O ALA A 9 -2.951 -6.353 -1.185 1.00 0.00 O ATOM 92 CB ALA A 9 -2.300 -7.556 -3.892 1.00 0.00 C ATOM 0 H ALA A 9 -1.301 -8.911 -2.035 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.543 -6.453 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.737 -6.744 -4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.754 -8.226 -4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.093 -8.110 -3.389 1.00 0.00 H new ATOM 98 N ALA A 10 -1.699 -4.711 -2.078 1.00 0.00 N ATOM 99 CA ALA A 10 -2.316 -3.657 -1.282 1.00 0.00 C ATOM 100 C ALA A 10 -2.586 -2.417 -2.128 1.00 0.00 C ATOM 101 O ALA A 10 -1.734 -1.987 -2.906 1.00 0.00 O ATOM 102 CB ALA A 10 -1.432 -3.306 -0.095 1.00 0.00 C ATOM 0 H ALA A 10 -0.972 -4.387 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.272 -4.028 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.905 -2.518 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.294 -4.189 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.462 -2.960 -0.453 1.00 0.00 H new ATOM 108 N ARG A 11 -3.777 -1.848 -1.971 1.00 0.00 N ATOM 109 CA ARG A 11 -4.160 -0.658 -2.722 1.00 0.00 C ATOM 110 C ARG A 11 -3.644 0.605 -2.039 1.00 0.00 C ATOM 111 O ARG A 11 -3.432 0.625 -0.826 1.00 0.00 O ATOM 112 CB ARG A 11 -5.681 -0.588 -2.867 1.00 0.00 C ATOM 113 CG ARG A 11 -6.173 0.698 -3.511 1.00 0.00 C ATOM 114 CD ARG A 11 -7.692 0.760 -3.542 1.00 0.00 C ATOM 115 NE ARG A 11 -8.258 0.982 -2.214 1.00 0.00 N ATOM 116 CZ ARG A 11 -9.563 1.024 -1.969 1.00 0.00 C ATOM 117 NH1 ARG A 11 -10.432 0.858 -2.957 1.00 0.00 N ATOM 118 NH2 ARG A 11 -10.001 1.230 -0.734 1.00 0.00 N ATOM 0 H ARG A 11 -4.493 -2.192 -1.331 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.711 -0.724 -3.713 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.020 -1.435 -3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.136 -0.688 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.784 1.554 -2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.784 0.769 -4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.009 1.561 -4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.084 -0.170 -3.952 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.616 1.112 -1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.099 0.698 -3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.433 0.891 -2.766 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.336 1.356 0.029 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.003 1.262 -0.547 1.00 0.00 H new ATOM 132 N LEU A 12 -3.444 1.657 -2.825 1.00 0.00 N ATOM 133 CA LEU A 12 -2.953 2.925 -2.297 1.00 0.00 C ATOM 134 C LEU A 12 -4.105 3.785 -1.787 1.00 0.00 C ATOM 135 O LEU A 12 -4.899 4.306 -2.570 1.00 0.00 O ATOM 136 CB LEU A 12 -2.174 3.681 -3.375 1.00 0.00 C ATOM 137 CG LEU A 12 -0.688 3.344 -3.491 1.00 0.00 C ATOM 138 CD1 LEU A 12 0.053 3.754 -2.227 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.498 1.859 -3.764 1.00 0.00 C ATOM 0 H LEU A 12 -3.614 1.657 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.288 2.710 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.646 3.488 -4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.270 4.749 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.273 3.904 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.110 3.506 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.055 4.828 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.364 3.222 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.566 1.637 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.929 1.281 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.995 1.594 -4.697 1.00 0.00 H new ATOM 151 N LYS A 13 -4.188 3.932 -0.469 1.00 0.00 N ATOM 152 CA LYS A 13 -5.239 4.733 0.147 1.00 0.00 C ATOM 153 C LYS A 13 -5.452 6.034 -0.619 1.00 0.00 C ATOM 154 O LYS A 13 -6.574 6.532 -0.718 1.00 0.00 O ATOM 155 CB LYS A 13 -4.888 5.038 1.605 1.00 0.00 C ATOM 156 CG LYS A 13 -5.097 3.860 2.540 1.00 0.00 C ATOM 157 CD LYS A 13 -6.545 3.753 2.988 1.00 0.00 C ATOM 158 CE LYS A 13 -6.877 4.789 4.052 1.00 0.00 C ATOM 159 NZ LYS A 13 -8.309 4.727 4.458 1.00 0.00 N ATOM 0 H LYS A 13 -3.539 3.507 0.193 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.165 4.158 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.847 5.355 1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.495 5.876 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.802 2.939 2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.452 3.968 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.203 3.887 2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.733 2.754 3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.245 4.629 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.650 5.785 3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.496 5.448 5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.913 4.905 3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.520 3.785 4.844 1.00 0.00 H new ATOM 173 N PHE A 14 -4.369 6.581 -1.161 1.00 0.00 N ATOM 174 CA PHE A 14 -4.437 7.824 -1.919 1.00 0.00 C ATOM 175 C PHE A 14 -3.223 7.973 -2.831 1.00 0.00 C ATOM 176 O PHE A 14 -2.222 7.275 -2.669 1.00 0.00 O ATOM 177 CB PHE A 14 -4.526 9.021 -0.970 1.00 0.00 C ATOM 178 CG PHE A 14 -5.631 8.903 0.041 1.00 0.00 C ATOM 179 CD1 PHE A 14 -6.929 9.261 -0.287 1.00 0.00 C ATOM 180 CD2 PHE A 14 -5.372 8.435 1.319 1.00 0.00 C ATOM 181 CE1 PHE A 14 -7.947 9.155 0.642 1.00 0.00 C ATOM 182 CE2 PHE A 14 -6.386 8.326 2.252 1.00 0.00 C ATOM 183 CZ PHE A 14 -7.675 8.685 1.912 1.00 0.00 C ATOM 0 H PHE A 14 -3.433 6.182 -1.089 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.333 7.793 -2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.576 9.131 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.675 9.928 -1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.148 9.627 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.366 8.152 1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.954 9.439 0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.170 7.961 3.245 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.470 8.598 2.638 1.00 0.00 H new ATOM 193 N ASP A 15 -3.319 8.887 -3.790 1.00 0.00 N ATOM 194 CA ASP A 15 -2.229 9.129 -4.728 1.00 0.00 C ATOM 195 C ASP A 15 -1.020 9.725 -4.014 1.00 0.00 C ATOM 196 O ASP A 15 -1.057 10.868 -3.557 1.00 0.00 O ATOM 197 CB ASP A 15 -2.689 10.065 -5.847 1.00 0.00 C ATOM 198 CG ASP A 15 -3.613 11.157 -5.345 1.00 0.00 C ATOM 199 OD1 ASP A 15 -3.104 12.199 -4.880 1.00 0.00 O ATOM 200 OD2 ASP A 15 -4.846 10.971 -5.417 1.00 0.00 O ATOM 0 H ASP A 15 -4.141 9.473 -3.938 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.937 8.173 -5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.817 10.519 -6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.201 9.485 -6.615 1.00 0.00 H new ATOM 205 N PHE A 16 0.050 8.943 -3.921 1.00 0.00 N ATOM 206 CA PHE A 16 1.270 9.393 -3.261 1.00 0.00 C ATOM 207 C PHE A 16 2.217 10.054 -4.258 1.00 0.00 C ATOM 208 O PHE A 16 2.442 9.537 -5.352 1.00 0.00 O ATOM 209 CB PHE A 16 1.971 8.215 -2.580 1.00 0.00 C ATOM 210 CG PHE A 16 3.244 8.598 -1.880 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.270 9.665 -0.997 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.413 7.889 -2.105 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.440 10.020 -0.353 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.586 8.239 -1.463 1.00 0.00 C ATOM 215 CZ PHE A 16 5.599 9.305 -0.585 1.00 0.00 C ATOM 0 H PHE A 16 0.097 7.995 -4.294 1.00 0.00 H new ATOM 0 HA PHE A 16 0.994 10.129 -2.506 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.290 7.765 -1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.192 7.453 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.366 10.226 -0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.408 7.054 -2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.448 10.856 0.331 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.491 7.680 -1.648 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.514 9.579 -0.081 1.00 0.00 H new ATOM 225 N GLN A 17 2.766 11.201 -3.872 1.00 0.00 N ATOM 226 CA GLN A 17 3.687 11.935 -4.733 1.00 0.00 C ATOM 227 C GLN A 17 5.075 12.011 -4.106 1.00 0.00 C ATOM 228 O GLN A 17 5.313 12.807 -3.198 1.00 0.00 O ATOM 229 CB GLN A 17 3.156 13.344 -5.000 1.00 0.00 C ATOM 230 CG GLN A 17 4.147 14.241 -5.724 1.00 0.00 C ATOM 231 CD GLN A 17 4.121 14.047 -7.227 1.00 0.00 C ATOM 232 OE1 GLN A 17 3.165 13.498 -7.777 1.00 0.00 O ATOM 233 NE2 GLN A 17 5.172 14.497 -7.901 1.00 0.00 N ATOM 0 H GLN A 17 2.590 11.642 -2.969 1.00 0.00 H new ATOM 0 HA GLN A 17 3.765 11.399 -5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.243 13.273 -5.592 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.886 13.807 -4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.925 15.283 -5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.152 14.039 -5.353 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.942 14.946 -7.405 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.210 14.394 -8.915 1.00 0.00 H new ATOM 242 N ALA A 18 5.987 11.179 -4.596 1.00 0.00 N ATOM 243 CA ALA A 18 7.352 11.154 -4.084 1.00 0.00 C ATOM 244 C ALA A 18 8.115 12.409 -4.493 1.00 0.00 C ATOM 245 O ALA A 18 8.212 12.727 -5.678 1.00 0.00 O ATOM 246 CB ALA A 18 8.077 9.909 -4.574 1.00 0.00 C ATOM 0 H ALA A 18 5.806 10.513 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 18 7.305 11.128 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.095 9.904 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.550 9.021 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.106 9.910 -5.664 1.00 0.00 H new ATOM 252 N GLN A 19 8.653 13.117 -3.506 1.00 0.00 N ATOM 253 CA GLN A 19 9.406 14.339 -3.765 1.00 0.00 C ATOM 254 C GLN A 19 10.821 14.016 -4.235 1.00 0.00 C ATOM 255 O GLN A 19 11.385 14.726 -5.067 1.00 0.00 O ATOM 256 CB GLN A 19 9.459 15.207 -2.506 1.00 0.00 C ATOM 257 CG GLN A 19 10.150 16.544 -2.718 1.00 0.00 C ATOM 258 CD GLN A 19 9.489 17.378 -3.797 1.00 0.00 C ATOM 259 OE1 GLN A 19 9.986 17.469 -4.920 1.00 0.00 O ATOM 260 NE2 GLN A 19 8.361 17.993 -3.462 1.00 0.00 N ATOM 0 H GLN A 19 8.582 12.866 -2.520 1.00 0.00 H new ATOM 0 HA GLN A 19 8.897 14.890 -4.556 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.443 15.384 -2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.978 14.660 -1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.149 17.102 -1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.193 16.371 -2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.984 17.890 -2.520 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.871 18.568 -4.147 1.00 0.00 H new ATOM 269 N SER A 20 11.388 12.942 -3.695 1.00 0.00 N ATOM 270 CA SER A 20 12.739 12.529 -4.056 1.00 0.00 C ATOM 271 C SER A 20 12.706 11.326 -4.994 1.00 0.00 C ATOM 272 O SER A 20 11.709 10.611 -5.093 1.00 0.00 O ATOM 273 CB SER A 20 13.544 12.189 -2.800 1.00 0.00 C ATOM 274 OG SER A 20 14.205 13.335 -2.293 1.00 0.00 O ATOM 0 H SER A 20 10.933 12.342 -3.006 1.00 0.00 H new ATOM 0 HA SER A 20 13.220 13.359 -4.574 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.880 11.781 -2.038 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.276 11.416 -3.032 1.00 0.00 H new ATOM 0 HG SER A 20 14.711 13.092 -1.490 1.00 0.00 H new ATOM 280 N PRO A 21 13.824 11.095 -5.699 1.00 0.00 N ATOM 281 CA PRO A 21 13.950 9.979 -6.641 1.00 0.00 C ATOM 282 C PRO A 21 13.999 8.628 -5.935 1.00 0.00 C ATOM 283 O PRO A 21 13.559 7.615 -6.480 1.00 0.00 O ATOM 284 CB PRO A 21 15.277 10.261 -7.349 1.00 0.00 C ATOM 285 CG PRO A 21 16.058 11.079 -6.379 1.00 0.00 C ATOM 286 CD PRO A 21 15.051 11.907 -5.630 1.00 0.00 C ATOM 0 HA PRO A 21 13.096 9.916 -7.316 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.798 9.336 -7.596 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.120 10.799 -8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.624 10.443 -5.698 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.779 11.714 -6.895 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.360 12.081 -4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.912 12.885 -6.091 1.00 0.00 H new ATOM 294 N LYS A 22 14.537 8.619 -4.721 1.00 0.00 N ATOM 295 CA LYS A 22 14.643 7.393 -3.939 1.00 0.00 C ATOM 296 C LYS A 22 13.261 6.836 -3.610 1.00 0.00 C ATOM 297 O LYS A 22 13.067 5.622 -3.566 1.00 0.00 O ATOM 298 CB LYS A 22 15.420 7.653 -2.646 1.00 0.00 C ATOM 299 CG LYS A 22 14.874 8.813 -1.832 1.00 0.00 C ATOM 300 CD LYS A 22 13.845 8.346 -0.816 1.00 0.00 C ATOM 301 CE LYS A 22 14.508 7.831 0.453 1.00 0.00 C ATOM 302 NZ LYS A 22 13.638 8.016 1.647 1.00 0.00 N ATOM 0 H LYS A 22 14.907 9.448 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 22 15.180 6.656 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.403 6.751 -2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.463 7.852 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.693 9.315 -1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.421 9.546 -2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.176 9.170 -0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.232 7.558 -1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.744 6.773 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.452 8.353 0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.018 7.464 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.612 9.023 1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.675 7.690 1.429 1.00 0.00 H new ATOM 316 N GLU A 23 12.306 7.732 -3.383 1.00 0.00 N ATOM 317 CA GLU A 23 10.942 7.329 -3.060 1.00 0.00 C ATOM 318 C GLU A 23 10.224 6.799 -4.298 1.00 0.00 C ATOM 319 O GLU A 23 10.780 6.790 -5.397 1.00 0.00 O ATOM 320 CB GLU A 23 10.164 8.507 -2.470 1.00 0.00 C ATOM 321 CG GLU A 23 10.256 8.599 -0.956 1.00 0.00 C ATOM 322 CD GLU A 23 9.624 9.865 -0.410 1.00 0.00 C ATOM 323 OE1 GLU A 23 8.673 10.373 -1.041 1.00 0.00 O ATOM 324 OE2 GLU A 23 10.080 10.348 0.647 1.00 0.00 O ATOM 0 H GLU A 23 12.451 8.741 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 23 10.992 6.530 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.538 9.433 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.116 8.420 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.766 7.732 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.303 8.561 -0.656 1.00 0.00 H new ATOM 331 N LEU A 24 8.985 6.358 -4.111 1.00 0.00 N ATOM 332 CA LEU A 24 8.189 5.826 -5.212 1.00 0.00 C ATOM 333 C LEU A 24 6.936 6.667 -5.434 1.00 0.00 C ATOM 334 O LEU A 24 6.417 7.286 -4.504 1.00 0.00 O ATOM 335 CB LEU A 24 7.799 4.374 -4.930 1.00 0.00 C ATOM 336 CG LEU A 24 8.779 3.308 -5.421 1.00 0.00 C ATOM 337 CD1 LEU A 24 8.483 1.968 -4.765 1.00 0.00 C ATOM 338 CD2 LEU A 24 8.720 3.187 -6.937 1.00 0.00 C ATOM 0 H LEU A 24 8.510 6.358 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 24 8.795 5.864 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.673 4.255 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.828 4.184 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 24 9.787 3.612 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.190 1.222 -5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.578 2.064 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.469 1.657 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.424 2.424 -7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.711 2.907 -7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.982 4.144 -7.389 1.00 0.00 H new ATOM 350 N THR A 25 6.452 6.683 -6.672 1.00 0.00 N ATOM 351 CA THR A 25 5.260 7.447 -7.017 1.00 0.00 C ATOM 352 C THR A 25 4.103 6.524 -7.383 1.00 0.00 C ATOM 353 O THR A 25 4.214 5.704 -8.295 1.00 0.00 O ATOM 354 CB THR A 25 5.527 8.408 -8.191 1.00 0.00 C ATOM 355 OG1 THR A 25 6.701 9.184 -7.930 1.00 0.00 O ATOM 356 CG2 THR A 25 4.340 9.332 -8.415 1.00 0.00 C ATOM 0 H THR A 25 6.868 6.175 -7.453 1.00 0.00 H new ATOM 0 HA THR A 25 4.992 8.030 -6.135 1.00 0.00 H new ATOM 0 HB THR A 25 5.678 7.814 -9.092 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.865 9.791 -8.681 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.552 10.001 -9.249 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.455 8.738 -8.642 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.161 9.920 -7.515 1.00 0.00 H new ATOM 364 N LEU A 26 2.992 6.664 -6.669 1.00 0.00 N ATOM 365 CA LEU A 26 1.813 5.842 -6.919 1.00 0.00 C ATOM 366 C LEU A 26 0.556 6.703 -6.996 1.00 0.00 C ATOM 367 O LEU A 26 0.581 7.886 -6.656 1.00 0.00 O ATOM 368 CB LEU A 26 1.657 4.789 -5.821 1.00 0.00 C ATOM 369 CG LEU A 26 2.905 3.967 -5.498 1.00 0.00 C ATOM 370 CD1 LEU A 26 2.832 3.420 -4.081 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.072 2.834 -6.501 1.00 0.00 C ATOM 0 H LEU A 26 2.883 7.339 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 26 1.948 5.340 -7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.330 5.289 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.861 4.104 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 26 3.775 4.620 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.729 2.838 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.761 4.247 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.954 2.782 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.965 2.260 -6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.199 2.182 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.171 3.248 -7.504 1.00 0.00 H new ATOM 383 N GLN A 27 -0.542 6.101 -7.442 1.00 0.00 N ATOM 384 CA GLN A 27 -1.809 6.813 -7.561 1.00 0.00 C ATOM 385 C GLN A 27 -2.903 6.115 -6.759 1.00 0.00 C ATOM 386 O GLN A 27 -2.779 4.940 -6.411 1.00 0.00 O ATOM 387 CB GLN A 27 -2.224 6.916 -9.029 1.00 0.00 C ATOM 388 CG GLN A 27 -1.277 7.757 -9.871 1.00 0.00 C ATOM 389 CD GLN A 27 -1.812 8.018 -11.265 1.00 0.00 C ATOM 390 OE1 GLN A 27 -3.018 7.952 -11.502 1.00 0.00 O ATOM 391 NE2 GLN A 27 -0.915 8.318 -12.197 1.00 0.00 N ATOM 0 H GLN A 27 -0.580 5.122 -7.727 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.672 7.816 -7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.281 5.914 -9.453 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.225 7.344 -9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.099 8.709 -9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.315 7.250 -9.944 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.075 8.362 -11.956 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.216 8.505 -13.153 1.00 0.00 H new ATOM 400 N LYS A 28 -3.974 6.845 -6.468 1.00 0.00 N ATOM 401 CA LYS A 28 -5.091 6.298 -5.708 1.00 0.00 C ATOM 402 C LYS A 28 -5.741 5.138 -6.455 1.00 0.00 C ATOM 403 O LYS A 28 -6.379 5.332 -7.489 1.00 0.00 O ATOM 404 CB LYS A 28 -6.130 7.387 -5.433 1.00 0.00 C ATOM 405 CG LYS A 28 -7.244 6.943 -4.501 1.00 0.00 C ATOM 406 CD LYS A 28 -8.462 7.844 -4.618 1.00 0.00 C ATOM 407 CE LYS A 28 -9.576 7.401 -3.683 1.00 0.00 C ATOM 408 NZ LYS A 28 -10.239 6.156 -4.160 1.00 0.00 N ATOM 0 H LYS A 28 -4.092 7.819 -6.748 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.704 5.926 -4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.630 8.254 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.566 7.709 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.526 5.916 -4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.883 6.949 -3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.179 8.871 -4.387 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.824 7.836 -5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.169 7.236 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.316 8.197 -3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.036 5.925 -3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.591 6.299 -5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.554 5.373 -4.153 1.00 0.00 H new ATOM 422 N GLY A 29 -5.575 3.930 -5.924 1.00 0.00 N ATOM 423 CA GLY A 29 -6.153 2.757 -6.554 1.00 0.00 C ATOM 424 C GLY A 29 -5.141 1.983 -7.375 1.00 0.00 C ATOM 425 O GLY A 29 -5.445 1.527 -8.478 1.00 0.00 O ATOM 0 H GLY A 29 -5.051 3.743 -5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.570 2.104 -5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.979 3.063 -7.196 1.00 0.00 H new ATOM 429 N ASP A 30 -3.935 1.834 -6.839 1.00 0.00 N ATOM 430 CA ASP A 30 -2.875 1.110 -7.530 1.00 0.00 C ATOM 431 C ASP A 30 -2.378 -0.061 -6.687 1.00 0.00 C ATOM 432 O ASP A 30 -2.526 -0.066 -5.465 1.00 0.00 O ATOM 433 CB ASP A 30 -1.712 2.050 -7.853 1.00 0.00 C ATOM 434 CG ASP A 30 -0.738 1.446 -8.845 1.00 0.00 C ATOM 435 OD1 ASP A 30 -1.000 1.536 -10.063 1.00 0.00 O ATOM 436 OD2 ASP A 30 0.286 0.884 -8.404 1.00 0.00 O ATOM 0 H ASP A 30 -3.667 2.205 -5.928 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.285 0.718 -8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.104 2.984 -8.256 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.182 2.298 -6.933 1.00 0.00 H new ATOM 441 N ILE A 31 -1.792 -1.053 -7.349 1.00 0.00 N ATOM 442 CA ILE A 31 -1.274 -2.229 -6.661 1.00 0.00 C ATOM 443 C ILE A 31 0.249 -2.270 -6.713 1.00 0.00 C ATOM 444 O ILE A 31 0.857 -1.896 -7.715 1.00 0.00 O ATOM 445 CB ILE A 31 -1.833 -3.529 -7.270 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.361 -3.541 -7.187 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.248 -4.741 -6.560 1.00 0.00 C ATOM 448 CD1 ILE A 31 -3.889 -3.472 -5.772 1.00 0.00 C ATOM 0 H ILE A 31 -1.664 -1.066 -8.361 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.597 -2.155 -5.623 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.545 -3.574 -8.320 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.754 -2.698 -7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.736 -4.448 -7.662 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.653 -5.652 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.163 -4.737 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.509 -4.704 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.979 -3.485 -5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.525 -4.329 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.544 -2.552 -5.299 1.00 0.00 H new ATOM 460 N VAL A 32 0.860 -2.730 -5.626 1.00 0.00 N ATOM 461 CA VAL A 32 2.313 -2.823 -5.547 1.00 0.00 C ATOM 462 C VAL A 32 2.747 -4.162 -4.962 1.00 0.00 C ATOM 463 O VAL A 32 1.927 -4.920 -4.442 1.00 0.00 O ATOM 464 CB VAL A 32 2.904 -1.686 -4.693 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.523 -0.331 -5.270 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.439 -1.809 -3.249 1.00 0.00 C ATOM 0 H VAL A 32 0.371 -3.044 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 32 2.691 -2.735 -6.566 1.00 0.00 H new ATOM 0 HB VAL A 32 3.991 -1.769 -4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.950 0.460 -4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.909 -0.247 -6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.437 -0.234 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.866 -0.998 -2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.351 -1.752 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.767 -2.765 -2.841 1.00 0.00 H new ATOM 476 N TYR A 33 4.041 -4.448 -5.048 1.00 0.00 N ATOM 477 CA TYR A 33 4.585 -5.697 -4.528 1.00 0.00 C ATOM 478 C TYR A 33 5.682 -5.429 -3.503 1.00 0.00 C ATOM 479 O TYR A 33 6.549 -4.580 -3.712 1.00 0.00 O ATOM 480 CB TYR A 33 5.137 -6.552 -5.670 1.00 0.00 C ATOM 481 CG TYR A 33 4.063 -7.178 -6.532 1.00 0.00 C ATOM 482 CD1 TYR A 33 3.095 -8.006 -5.977 1.00 0.00 C ATOM 483 CD2 TYR A 33 4.017 -6.942 -7.900 1.00 0.00 C ATOM 484 CE1 TYR A 33 2.113 -8.581 -6.760 1.00 0.00 C ATOM 485 CE2 TYR A 33 3.037 -7.511 -8.691 1.00 0.00 C ATOM 486 CZ TYR A 33 2.088 -8.330 -8.116 1.00 0.00 C ATOM 487 OH TYR A 33 1.111 -8.900 -8.900 1.00 0.00 O ATOM 0 H TYR A 33 4.733 -3.831 -5.473 1.00 0.00 H new ATOM 0 HA TYR A 33 3.777 -6.238 -4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.780 -5.934 -6.297 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.762 -7.341 -5.252 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.111 -8.203 -4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.760 -6.303 -8.353 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.369 -9.224 -6.313 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.014 -7.316 -9.753 1.00 0.00 H new ATOM 0 HH TYR A 33 1.235 -8.621 -9.831 1.00 0.00 H new ATOM 497 N ILE A 34 5.637 -6.160 -2.394 1.00 0.00 N ATOM 498 CA ILE A 34 6.628 -6.003 -1.336 1.00 0.00 C ATOM 499 C ILE A 34 7.758 -7.015 -1.487 1.00 0.00 C ATOM 500 O ILE A 34 7.566 -8.213 -1.273 1.00 0.00 O ATOM 501 CB ILE A 34 5.993 -6.163 0.058 1.00 0.00 C ATOM 502 CG1 ILE A 34 5.013 -5.020 0.331 1.00 0.00 C ATOM 503 CG2 ILE A 34 7.072 -6.211 1.129 1.00 0.00 C ATOM 504 CD1 ILE A 34 5.683 -3.670 0.464 1.00 0.00 C ATOM 0 H ILE A 34 4.926 -6.866 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 34 7.032 -4.995 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 34 5.441 -7.103 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.283 -4.977 -0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.462 -5.235 1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.608 -6.324 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.734 -7.057 0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.649 -5.287 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.929 -2.907 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.393 -3.696 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.211 -3.433 -0.460 1.00 0.00 H new ATOM 516 N HIS A 35 8.938 -6.526 -1.854 1.00 0.00 N ATOM 517 CA HIS A 35 10.102 -7.388 -2.031 1.00 0.00 C ATOM 518 C HIS A 35 10.885 -7.518 -0.729 1.00 0.00 C ATOM 519 O HIS A 35 11.292 -8.614 -0.343 1.00 0.00 O ATOM 520 CB HIS A 35 11.008 -6.837 -3.132 1.00 0.00 C ATOM 521 CG HIS A 35 11.846 -7.884 -3.798 1.00 0.00 C ATOM 522 ND1 HIS A 35 11.320 -9.040 -4.336 1.00 0.00 N ATOM 523 CD2 HIS A 35 13.181 -7.945 -4.014 1.00 0.00 C ATOM 524 CE1 HIS A 35 12.295 -9.767 -4.852 1.00 0.00 C ATOM 525 NE2 HIS A 35 13.434 -9.125 -4.670 1.00 0.00 N ATOM 0 H HIS A 35 9.114 -5.538 -2.035 1.00 0.00 H new ATOM 0 HA HIS A 35 9.750 -8.377 -2.322 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.393 -6.343 -3.884 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.662 -6.076 -2.706 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.911 -7.204 -3.724 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.180 -10.724 -5.340 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.353 -9.452 -4.968 1.00 0.00 H new ATOM 533 N LYS A 36 11.093 -6.392 -0.055 1.00 0.00 N ATOM 534 CA LYS A 36 11.827 -6.378 1.205 1.00 0.00 C ATOM 535 C LYS A 36 11.377 -5.216 2.085 1.00 0.00 C ATOM 536 O LYS A 36 10.838 -4.226 1.592 1.00 0.00 O ATOM 537 CB LYS A 36 13.332 -6.279 0.942 1.00 0.00 C ATOM 538 CG LYS A 36 13.789 -4.886 0.544 1.00 0.00 C ATOM 539 CD LYS A 36 15.277 -4.698 0.784 1.00 0.00 C ATOM 540 CE LYS A 36 15.555 -4.173 2.184 1.00 0.00 C ATOM 541 NZ LYS A 36 15.382 -5.230 3.218 1.00 0.00 N ATOM 0 H LYS A 36 10.763 -5.476 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 36 11.616 -7.310 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.870 -6.587 1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.601 -6.980 0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.565 -4.716 -0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.231 -4.142 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.792 -5.648 0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.680 -4.003 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.572 -3.783 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.884 -3.341 2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.996 -5.023 4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.390 -5.252 3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.639 -6.154 2.816 1.00 0.00 H new ATOM 555 N GLU A 37 11.602 -5.345 3.389 1.00 0.00 N ATOM 556 CA GLU A 37 11.219 -4.304 4.336 1.00 0.00 C ATOM 557 C GLU A 37 12.395 -3.377 4.630 1.00 0.00 C ATOM 558 O GLU A 37 13.370 -3.776 5.266 1.00 0.00 O ATOM 559 CB GLU A 37 10.711 -4.930 5.636 1.00 0.00 C ATOM 560 CG GLU A 37 9.358 -5.607 5.498 1.00 0.00 C ATOM 561 CD GLU A 37 8.951 -6.361 6.749 1.00 0.00 C ATOM 562 OE1 GLU A 37 9.079 -5.789 7.853 1.00 0.00 O ATOM 563 OE2 GLU A 37 8.507 -7.521 6.626 1.00 0.00 O ATOM 0 H GLU A 37 12.047 -6.159 3.813 1.00 0.00 H new ATOM 0 HA GLU A 37 10.419 -3.716 3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.440 -5.661 5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.644 -4.156 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.602 -4.856 5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.386 -6.298 4.655 1.00 0.00 H new ATOM 570 N VAL A 38 12.295 -2.137 4.161 1.00 0.00 N ATOM 571 CA VAL A 38 13.349 -1.152 4.374 1.00 0.00 C ATOM 572 C VAL A 38 13.444 -0.757 5.844 1.00 0.00 C ATOM 573 O VAL A 38 14.439 -1.042 6.510 1.00 0.00 O ATOM 574 CB VAL A 38 13.113 0.113 3.528 1.00 0.00 C ATOM 575 CG1 VAL A 38 14.161 1.170 3.844 1.00 0.00 C ATOM 576 CG2 VAL A 38 13.120 -0.229 2.046 1.00 0.00 C ATOM 0 H VAL A 38 11.495 -1.791 3.631 1.00 0.00 H new ATOM 0 HA VAL A 38 14.285 -1.618 4.065 1.00 0.00 H new ATOM 0 HB VAL A 38 12.134 0.520 3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.978 2.057 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.104 1.435 4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.153 0.777 3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.952 0.676 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.084 -0.660 1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.329 -0.949 1.835 1.00 0.00 H new ATOM 586 N ASP A 39 12.402 -0.101 6.342 1.00 0.00 N ATOM 587 CA ASP A 39 12.366 0.332 7.734 1.00 0.00 C ATOM 588 C ASP A 39 11.120 -0.198 8.437 1.00 0.00 C ATOM 589 O ASP A 39 10.284 -0.863 7.824 1.00 0.00 O ATOM 590 CB ASP A 39 12.403 1.859 7.817 1.00 0.00 C ATOM 591 CG ASP A 39 12.972 2.354 9.132 1.00 0.00 C ATOM 592 OD1 ASP A 39 14.212 2.356 9.279 1.00 0.00 O ATOM 593 OD2 ASP A 39 12.176 2.738 10.015 1.00 0.00 O ATOM 0 H ASP A 39 11.571 0.143 5.803 1.00 0.00 H new ATOM 0 HA ASP A 39 13.244 -0.073 8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.002 2.250 6.995 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.394 2.251 7.690 1.00 0.00 H new ATOM 598 N LYS A 40 11.002 0.101 9.726 1.00 0.00 N ATOM 599 CA LYS A 40 9.858 -0.344 10.513 1.00 0.00 C ATOM 600 C LYS A 40 8.548 0.083 9.859 1.00 0.00 C ATOM 601 O LYS A 40 7.545 -0.625 9.935 1.00 0.00 O ATOM 602 CB LYS A 40 9.939 0.220 11.933 1.00 0.00 C ATOM 603 CG LYS A 40 8.701 -0.056 12.769 1.00 0.00 C ATOM 604 CD LYS A 40 8.935 0.267 14.235 1.00 0.00 C ATOM 605 CE LYS A 40 9.465 -0.941 14.994 1.00 0.00 C ATOM 606 NZ LYS A 40 10.895 -1.211 14.678 1.00 0.00 N ATOM 0 H LYS A 40 11.685 0.650 10.248 1.00 0.00 H new ATOM 0 HA LYS A 40 9.882 -1.433 10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.808 -0.205 12.435 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.098 1.297 11.879 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.867 0.537 12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.418 -1.104 12.667 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.644 1.091 14.319 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.002 0.602 14.688 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.355 -0.773 16.065 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.866 -1.817 14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.356 -1.646 15.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.955 -1.858 13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.374 -0.318 14.445 1.00 0.00 H new ATOM 620 N ASN A 41 8.565 1.246 9.216 1.00 0.00 N ATOM 621 CA ASN A 41 7.378 1.768 8.548 1.00 0.00 C ATOM 622 C ASN A 41 7.589 1.835 7.038 1.00 0.00 C ATOM 623 O ASN A 41 6.632 1.787 6.265 1.00 0.00 O ATOM 624 CB ASN A 41 7.032 3.157 9.088 1.00 0.00 C ATOM 625 CG ASN A 41 6.091 3.097 10.276 1.00 0.00 C ATOM 626 OD1 ASN A 41 4.874 3.001 10.113 1.00 0.00 O ATOM 627 ND2 ASN A 41 6.652 3.154 11.478 1.00 0.00 N ATOM 0 H ASN A 41 9.387 1.845 9.143 1.00 0.00 H new ATOM 0 HA ASN A 41 6.549 1.090 8.752 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.949 3.669 9.380 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.575 3.749 8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.070 3.118 12.315 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.665 3.233 11.565 1.00 0.00 H new ATOM 634 N TRP A 42 8.847 1.946 6.627 1.00 0.00 N ATOM 635 CA TRP A 42 9.183 2.019 5.209 1.00 0.00 C ATOM 636 C TRP A 42 9.358 0.624 4.619 1.00 0.00 C ATOM 637 O TRP A 42 9.907 -0.270 5.264 1.00 0.00 O ATOM 638 CB TRP A 42 10.462 2.834 5.009 1.00 0.00 C ATOM 639 CG TRP A 42 10.303 4.283 5.359 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.621 4.880 6.545 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.784 5.316 4.514 1.00 0.00 C ATOM 642 NE1 TRP A 42 10.332 6.222 6.489 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.818 6.515 5.253 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.297 5.346 3.204 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.382 7.727 4.725 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.864 6.550 2.682 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.910 7.727 3.441 1.00 0.00 C ATOM 0 H TRP A 42 9.650 1.987 7.254 1.00 0.00 H new ATOM 0 HA TRP A 42 8.361 2.512 4.691 1.00 0.00 H new ATOM 0 HB2 TRP A 42 11.257 2.405 5.619 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.778 2.751 3.969 1.00 0.00 H new ATOM 0 HD1 TRP A 42 11.039 4.372 7.402 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.477 6.892 7.245 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.260 4.444 2.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.415 8.635 5.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.484 6.584 1.672 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.566 8.653 3.004 1.00 0.00 H new ATOM 658 N LEU A 43 8.888 0.444 3.389 1.00 0.00 N ATOM 659 CA LEU A 43 8.993 -0.843 2.711 1.00 0.00 C ATOM 660 C LEU A 43 9.621 -0.682 1.330 1.00 0.00 C ATOM 661 O LEU A 43 9.825 0.436 0.858 1.00 0.00 O ATOM 662 CB LEU A 43 7.612 -1.488 2.583 1.00 0.00 C ATOM 663 CG LEU A 43 6.788 -1.569 3.868 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.390 -2.093 3.574 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.485 -2.451 4.894 1.00 0.00 C ATOM 0 H LEU A 43 8.431 1.173 2.841 1.00 0.00 H new ATOM 0 HA LEU A 43 9.636 -1.489 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.039 -0.930 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.739 -2.498 2.192 1.00 0.00 H new ATOM 0 HG LEU A 43 6.698 -0.565 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.818 -2.144 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.890 -1.423 2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.459 -3.088 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.884 -2.497 5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.607 -3.455 4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.464 -2.033 5.128 1.00 0.00 H new ATOM 677 N GLU A 44 9.924 -1.806 0.688 1.00 0.00 N ATOM 678 CA GLU A 44 10.528 -1.788 -0.639 1.00 0.00 C ATOM 679 C GLU A 44 9.649 -2.523 -1.646 1.00 0.00 C ATOM 680 O GLU A 44 8.905 -3.435 -1.288 1.00 0.00 O ATOM 681 CB GLU A 44 11.919 -2.424 -0.599 1.00 0.00 C ATOM 682 CG GLU A 44 12.792 -2.053 -1.786 1.00 0.00 C ATOM 683 CD GLU A 44 14.270 -2.064 -1.449 1.00 0.00 C ATOM 684 OE1 GLU A 44 14.655 -1.425 -0.447 1.00 0.00 O ATOM 685 OE2 GLU A 44 15.043 -2.711 -2.186 1.00 0.00 O ATOM 0 H GLU A 44 9.761 -2.740 1.065 1.00 0.00 H new ATOM 0 HA GLU A 44 10.621 -0.749 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.422 -2.121 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.813 -3.508 -0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.604 -2.750 -2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.512 -1.062 -2.143 1.00 0.00 H new ATOM 692 N GLY A 45 9.740 -2.118 -2.910 1.00 0.00 N ATOM 693 CA GLY A 45 8.948 -2.748 -3.950 1.00 0.00 C ATOM 694 C GLY A 45 9.243 -2.183 -5.325 1.00 0.00 C ATOM 695 O GLY A 45 10.349 -1.709 -5.584 1.00 0.00 O ATOM 0 H GLY A 45 10.348 -1.365 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.143 -3.820 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.889 -2.617 -3.726 1.00 0.00 H new ATOM 699 N GLU A 46 8.252 -2.235 -6.210 1.00 0.00 N ATOM 700 CA GLU A 46 8.413 -1.727 -7.567 1.00 0.00 C ATOM 701 C GLU A 46 7.060 -1.382 -8.183 1.00 0.00 C ATOM 702 O GLU A 46 6.062 -2.060 -7.935 1.00 0.00 O ATOM 703 CB GLU A 46 9.135 -2.756 -8.439 1.00 0.00 C ATOM 704 CG GLU A 46 8.319 -4.010 -8.704 1.00 0.00 C ATOM 705 CD GLU A 46 9.185 -5.236 -8.917 1.00 0.00 C ATOM 706 OE1 GLU A 46 9.697 -5.411 -10.042 1.00 0.00 O ATOM 707 OE2 GLU A 46 9.350 -6.020 -7.959 1.00 0.00 O ATOM 0 H GLU A 46 7.330 -2.624 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 46 9.013 -0.818 -7.518 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.395 -2.294 -9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.070 -3.037 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.647 -4.186 -7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.695 -3.853 -9.584 1.00 0.00 H new ATOM 714 N HIS A 47 7.034 -0.324 -8.987 1.00 0.00 N ATOM 715 CA HIS A 47 5.805 0.111 -9.639 1.00 0.00 C ATOM 716 C HIS A 47 5.788 -0.310 -11.105 1.00 0.00 C ATOM 717 O HIS A 47 6.832 -0.610 -11.687 1.00 0.00 O ATOM 718 CB HIS A 47 5.655 1.629 -9.531 1.00 0.00 C ATOM 719 CG HIS A 47 4.426 2.159 -10.205 1.00 0.00 C ATOM 720 ND1 HIS A 47 4.469 3.059 -11.248 1.00 0.00 N ATOM 721 CD2 HIS A 47 3.115 1.909 -9.979 1.00 0.00 C ATOM 722 CE1 HIS A 47 3.238 3.341 -11.634 1.00 0.00 C ATOM 723 NE2 HIS A 47 2.397 2.656 -10.880 1.00 0.00 N ATOM 0 H HIS A 47 7.851 0.248 -9.202 1.00 0.00 H new ATOM 0 HA HIS A 47 4.966 -0.367 -9.133 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.632 1.910 -8.478 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.533 2.105 -9.968 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.709 1.246 -9.230 1.00 0.00 H new ATOM 0 HE1 HIS A 47 2.965 4.017 -12.431 1.00 0.00 H new ATOM 0 HE2 HIS A 47 1.380 2.678 -10.955 1.00 0.00 H new ATOM 731 N HIS A 48 4.598 -0.332 -11.697 1.00 0.00 N ATOM 732 CA HIS A 48 4.447 -0.718 -13.096 1.00 0.00 C ATOM 733 C HIS A 48 5.648 -0.261 -13.918 1.00 0.00 C ATOM 734 O HIS A 48 6.113 -0.975 -14.805 1.00 0.00 O ATOM 735 CB HIS A 48 3.162 -0.123 -13.674 1.00 0.00 C ATOM 736 CG HIS A 48 1.921 -0.842 -13.240 1.00 0.00 C ATOM 737 ND1 HIS A 48 0.804 -0.963 -14.039 1.00 0.00 N ATOM 738 CD2 HIS A 48 1.627 -1.481 -12.084 1.00 0.00 C ATOM 739 CE1 HIS A 48 -0.125 -1.643 -13.392 1.00 0.00 C ATOM 740 NE2 HIS A 48 0.349 -1.970 -12.204 1.00 0.00 N ATOM 0 H HIS A 48 3.725 -0.087 -11.230 1.00 0.00 H new ATOM 0 HA HIS A 48 4.389 -1.805 -13.144 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.089 0.923 -13.376 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.221 -0.141 -14.762 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.276 -1.587 -11.227 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.106 -1.890 -13.770 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.152 -2.500 -11.491 1.00 0.00 H new ATOM 748 N GLY A 49 6.145 0.935 -13.617 1.00 0.00 N ATOM 749 CA GLY A 49 7.287 1.466 -14.339 1.00 0.00 C ATOM 750 C GLY A 49 8.336 2.050 -13.414 1.00 0.00 C ATOM 751 O GLY A 49 9.534 1.942 -13.676 1.00 0.00 O ATOM 0 H GLY A 49 5.778 1.545 -12.887 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.735 0.673 -14.937 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.949 2.236 -15.032 1.00 0.00 H new ATOM 755 N ARG A 50 7.886 2.673 -12.329 1.00 0.00 N ATOM 756 CA ARG A 50 8.795 3.279 -11.364 1.00 0.00 C ATOM 757 C ARG A 50 9.359 2.227 -10.413 1.00 0.00 C ATOM 758 O ARG A 50 8.844 1.112 -10.328 1.00 0.00 O ATOM 759 CB ARG A 50 8.074 4.368 -10.567 1.00 0.00 C ATOM 760 CG ARG A 50 9.003 5.446 -10.032 1.00 0.00 C ATOM 761 CD ARG A 50 8.274 6.769 -9.851 1.00 0.00 C ATOM 762 NE ARG A 50 7.807 7.314 -11.123 1.00 0.00 N ATOM 763 CZ ARG A 50 8.582 7.997 -11.959 1.00 0.00 C ATOM 764 NH1 ARG A 50 9.854 8.217 -11.658 1.00 0.00 N ATOM 765 NH2 ARG A 50 8.084 8.462 -13.097 1.00 0.00 N ATOM 0 H ARG A 50 6.898 2.771 -12.097 1.00 0.00 H new ATOM 0 HA ARG A 50 9.622 3.728 -11.914 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.320 4.832 -11.202 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.547 3.907 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.422 5.126 -9.078 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.839 5.581 -10.718 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.424 6.626 -9.184 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.939 7.487 -9.371 1.00 0.00 H new ATOM 0 HE ARG A 50 6.833 7.162 -11.384 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.240 7.862 -10.783 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.447 8.741 -12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.105 8.295 -13.331 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.680 8.986 -13.738 1.00 0.00 H new ATOM 779 N LEU A 51 10.420 2.590 -9.701 1.00 0.00 N ATOM 780 CA LEU A 51 11.055 1.677 -8.756 1.00 0.00 C ATOM 781 C LEU A 51 11.678 2.444 -7.593 1.00 0.00 C ATOM 782 O LEU A 51 12.312 3.480 -7.788 1.00 0.00 O ATOM 783 CB LEU A 51 12.125 0.843 -9.463 1.00 0.00 C ATOM 784 CG LEU A 51 13.048 0.028 -8.556 1.00 0.00 C ATOM 785 CD1 LEU A 51 12.391 -1.289 -8.172 1.00 0.00 C ATOM 786 CD2 LEU A 51 14.384 -0.221 -9.241 1.00 0.00 C ATOM 0 H LEU A 51 10.859 3.509 -9.760 1.00 0.00 H new ATOM 0 HA LEU A 51 10.288 1.012 -8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.628 0.159 -10.151 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.739 1.512 -10.066 1.00 0.00 H new ATOM 0 HG LEU A 51 13.229 0.600 -7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.062 -1.856 -7.527 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.460 -1.090 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.180 -1.866 -9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 51 15.028 -0.802 -8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 51 14.221 -0.772 -10.167 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.861 0.733 -9.466 1.00 0.00 H new ATOM 798 N GLY A 52 11.493 1.926 -6.383 1.00 0.00 N ATOM 799 CA GLY A 52 12.044 2.573 -5.207 1.00 0.00 C ATOM 800 C GLY A 52 11.426 2.063 -3.921 1.00 0.00 C ATOM 801 O GLY A 52 11.233 0.858 -3.752 1.00 0.00 O ATOM 0 H GLY A 52 10.971 1.070 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.121 2.410 -5.178 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.886 3.649 -5.281 1.00 0.00 H new ATOM 805 N ILE A 53 11.115 2.980 -3.011 1.00 0.00 N ATOM 806 CA ILE A 53 10.516 2.615 -1.733 1.00 0.00 C ATOM 807 C ILE A 53 9.243 3.414 -1.475 1.00 0.00 C ATOM 808 O ILE A 53 9.006 4.446 -2.104 1.00 0.00 O ATOM 809 CB ILE A 53 11.495 2.842 -0.566 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.964 4.298 -0.540 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.684 1.899 -0.683 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.720 4.667 0.717 1.00 0.00 C ATOM 0 H ILE A 53 11.268 3.981 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 53 10.272 1.554 -1.791 1.00 0.00 H new ATOM 0 HB ILE A 53 10.978 2.631 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.602 4.481 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.098 4.952 -0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.368 2.071 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.334 0.867 -0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.203 2.083 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.022 5.713 0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.078 4.516 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.606 4.038 0.807 1.00 0.00 H new ATOM 824 N PHE A 54 8.426 2.931 -0.545 1.00 0.00 N ATOM 825 CA PHE A 54 7.176 3.601 -0.203 1.00 0.00 C ATOM 826 C PHE A 54 6.744 3.252 1.219 1.00 0.00 C ATOM 827 O PHE A 54 7.082 2.197 1.756 1.00 0.00 O ATOM 828 CB PHE A 54 6.076 3.211 -1.192 1.00 0.00 C ATOM 829 CG PHE A 54 5.839 1.730 -1.272 1.00 0.00 C ATOM 830 CD1 PHE A 54 6.615 0.934 -2.099 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.839 1.134 -0.520 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.398 -0.429 -2.174 1.00 0.00 C ATOM 833 CE2 PHE A 54 4.618 -0.228 -0.592 1.00 0.00 C ATOM 834 CZ PHE A 54 5.399 -1.011 -1.419 1.00 0.00 C ATOM 0 H PHE A 54 8.607 2.079 -0.015 1.00 0.00 H new ATOM 0 HA PHE A 54 7.342 4.677 -0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.148 3.704 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.340 3.583 -2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.398 1.383 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.226 1.741 0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.010 -1.039 -2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.835 -0.680 -0.002 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.229 -2.076 -1.475 1.00 0.00 H new ATOM 844 N PRO A 55 5.979 4.159 1.843 1.00 0.00 N ATOM 845 CA PRO A 55 5.484 3.971 3.210 1.00 0.00 C ATOM 846 C PRO A 55 4.427 2.875 3.298 1.00 0.00 C ATOM 847 O PRO A 55 3.659 2.664 2.359 1.00 0.00 O ATOM 848 CB PRO A 55 4.873 5.331 3.557 1.00 0.00 C ATOM 849 CG PRO A 55 4.507 5.928 2.242 1.00 0.00 C ATOM 850 CD PRO A 55 5.538 5.439 1.263 1.00 0.00 C ATOM 0 HA PRO A 55 6.276 3.658 3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.999 5.220 4.199 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.584 5.959 4.093 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.506 5.621 1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.505 7.017 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.115 5.305 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.365 6.142 1.166 1.00 0.00 H new ATOM 858 N ALA A 56 4.393 2.181 4.431 1.00 0.00 N ATOM 859 CA ALA A 56 3.428 1.109 4.641 1.00 0.00 C ATOM 860 C ALA A 56 2.034 1.668 4.904 1.00 0.00 C ATOM 861 O ALA A 56 1.079 1.333 4.206 1.00 0.00 O ATOM 862 CB ALA A 56 3.869 0.221 5.795 1.00 0.00 C ATOM 0 H ALA A 56 5.023 2.342 5.217 1.00 0.00 H new ATOM 0 HA ALA A 56 3.384 0.510 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.139 -0.575 5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.842 -0.215 5.567 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.943 0.817 6.705 1.00 0.00 H new ATOM 868 N ASN A 57 1.926 2.522 5.917 1.00 0.00 N ATOM 869 CA ASN A 57 0.648 3.127 6.273 1.00 0.00 C ATOM 870 C ASN A 57 -0.136 3.519 5.024 1.00 0.00 C ATOM 871 O ASN A 57 -1.272 3.086 4.830 1.00 0.00 O ATOM 872 CB ASN A 57 0.870 4.357 7.155 1.00 0.00 C ATOM 873 CG ASN A 57 -0.402 5.156 7.365 1.00 0.00 C ATOM 874 OD1 ASN A 57 -1.262 4.777 8.161 1.00 0.00 O ATOM 875 ND2 ASN A 57 -0.527 6.268 6.650 1.00 0.00 N ATOM 0 H ASN A 57 2.708 2.810 6.505 1.00 0.00 H new ATOM 0 HA ASN A 57 0.068 2.389 6.828 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.261 4.041 8.122 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.626 4.996 6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.361 6.847 6.749 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.211 6.544 6.002 1.00 0.00 H new ATOM 882 N TYR A 58 0.479 4.339 4.179 1.00 0.00 N ATOM 883 CA TYR A 58 -0.160 4.790 2.949 1.00 0.00 C ATOM 884 C TYR A 58 -1.054 3.699 2.368 1.00 0.00 C ATOM 885 O TYR A 58 -2.123 3.979 1.825 1.00 0.00 O ATOM 886 CB TYR A 58 0.895 5.202 1.922 1.00 0.00 C ATOM 887 CG TYR A 58 1.285 6.661 2.005 1.00 0.00 C ATOM 888 CD1 TYR A 58 2.103 7.124 3.028 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.834 7.575 1.062 1.00 0.00 C ATOM 890 CE1 TYR A 58 2.461 8.456 3.108 1.00 0.00 C ATOM 891 CE2 TYR A 58 1.188 8.909 1.133 1.00 0.00 C ATOM 892 CZ TYR A 58 2.001 9.344 2.158 1.00 0.00 C ATOM 893 OH TYR A 58 2.355 10.672 2.234 1.00 0.00 O ATOM 0 H TYR A 58 1.420 4.705 4.324 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.780 5.654 3.188 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.785 4.588 2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.517 4.992 0.921 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.465 6.431 3.773 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.195 7.238 0.259 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.097 8.800 3.910 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.830 9.606 0.390 1.00 0.00 H new ATOM 0 HH TYR A 58 2.966 10.890 1.499 1.00 0.00 H new ATOM 903 N VAL A 59 -0.608 2.452 2.487 1.00 0.00 N ATOM 904 CA VAL A 59 -1.366 1.317 1.975 1.00 0.00 C ATOM 905 C VAL A 59 -1.745 0.358 3.098 1.00 0.00 C ATOM 906 O VAL A 59 -0.923 0.037 3.956 1.00 0.00 O ATOM 907 CB VAL A 59 -0.571 0.548 0.904 1.00 0.00 C ATOM 908 CG1 VAL A 59 -0.354 1.415 -0.326 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.757 0.068 1.469 1.00 0.00 C ATOM 0 H VAL A 59 0.275 2.203 2.934 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.273 1.720 1.524 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.150 -0.326 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.210 0.854 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.319 1.704 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.203 2.309 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.306 -0.474 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.344 0.926 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.574 -0.593 2.316 1.00 0.00 H new ATOM 919 N GLU A 60 -2.994 -0.096 3.086 1.00 0.00 N ATOM 920 CA GLU A 60 -3.481 -1.018 4.104 1.00 0.00 C ATOM 921 C GLU A 60 -4.126 -2.245 3.464 1.00 0.00 C ATOM 922 O GLU A 60 -4.930 -2.126 2.539 1.00 0.00 O ATOM 923 CB GLU A 60 -4.489 -0.318 5.019 1.00 0.00 C ATOM 924 CG GLU A 60 -4.989 -1.193 6.156 1.00 0.00 C ATOM 925 CD GLU A 60 -6.365 -0.783 6.645 1.00 0.00 C ATOM 926 OE1 GLU A 60 -7.197 -0.382 5.805 1.00 0.00 O ATOM 927 OE2 GLU A 60 -6.608 -0.862 7.867 1.00 0.00 O ATOM 0 H GLU A 60 -3.687 0.160 2.382 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.628 -1.345 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.028 0.577 5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.341 0.011 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.020 -2.231 5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.283 -1.144 6.985 1.00 0.00 H new ATOM 934 N VAL A 61 -3.766 -3.423 3.963 1.00 0.00 N ATOM 935 CA VAL A 61 -4.309 -4.672 3.441 1.00 0.00 C ATOM 936 C VAL A 61 -5.832 -4.674 3.495 1.00 0.00 C ATOM 937 O VAL A 61 -6.428 -4.501 4.559 1.00 0.00 O ATOM 938 CB VAL A 61 -3.777 -5.886 4.226 1.00 0.00 C ATOM 939 CG1 VAL A 61 -4.385 -7.174 3.693 1.00 0.00 C ATOM 940 CG2 VAL A 61 -2.258 -5.937 4.162 1.00 0.00 C ATOM 0 H VAL A 61 -3.101 -3.539 4.728 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.985 -4.749 2.403 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.070 -5.779 5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.998 -8.021 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.469 -7.134 3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.124 -7.291 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.899 -6.801 4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.940 -6.021 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.845 -5.026 4.596 1.00 0.00 H new ATOM 950 N LEU A 62 -6.459 -4.871 2.340 1.00 0.00 N ATOM 951 CA LEU A 62 -7.915 -4.896 2.254 1.00 0.00 C ATOM 952 C LEU A 62 -8.498 -5.942 3.199 1.00 0.00 C ATOM 953 O LEU A 62 -9.457 -5.674 3.923 1.00 0.00 O ATOM 954 CB LEU A 62 -8.356 -5.186 0.818 1.00 0.00 C ATOM 955 CG LEU A 62 -8.223 -4.028 -0.171 1.00 0.00 C ATOM 956 CD1 LEU A 62 -8.215 -4.546 -1.601 1.00 0.00 C ATOM 957 CD2 LEU A 62 -9.349 -3.024 0.028 1.00 0.00 C ATOM 0 H LEU A 62 -5.982 -5.016 1.450 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.289 -3.916 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.773 -6.027 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.398 -5.504 0.836 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.276 -3.523 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.120 -3.708 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.374 -5.226 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.146 -5.077 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.238 -2.207 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.308 -3.517 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.309 -2.628 1.043 1.00 0.00 H new ATOM 969 N SER A 63 -7.911 -7.135 3.187 1.00 0.00 N ATOM 970 CA SER A 63 -8.374 -8.223 4.041 1.00 0.00 C ATOM 971 C SER A 63 -8.014 -7.958 5.500 1.00 0.00 C ATOM 972 O SER A 63 -6.840 -7.910 5.863 1.00 0.00 O ATOM 973 CB SER A 63 -7.764 -9.550 3.587 1.00 0.00 C ATOM 974 OG SER A 63 -8.072 -9.815 2.229 1.00 0.00 O ATOM 0 H SER A 63 -7.114 -7.372 2.596 1.00 0.00 H new ATOM 0 HA SER A 63 -9.459 -8.282 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.682 -9.521 3.719 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.139 -10.359 4.213 1.00 0.00 H new ATOM 0 HG SER A 63 -8.426 -10.725 2.145 1.00 0.00 H new ATOM 980 N GLY A 64 -9.037 -7.786 6.333 1.00 0.00 N ATOM 981 CA GLY A 64 -8.809 -7.528 7.743 1.00 0.00 C ATOM 982 C GLY A 64 -10.048 -7.005 8.443 1.00 0.00 C ATOM 983 O GLY A 64 -10.857 -6.281 7.863 1.00 0.00 O ATOM 0 H GLY A 64 -10.018 -7.821 6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.481 -8.447 8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.001 -6.804 7.851 1.00 0.00 H new ATOM 987 N PRO A 65 -10.210 -7.376 9.722 1.00 0.00 N ATOM 988 CA PRO A 65 -11.357 -6.952 10.530 1.00 0.00 C ATOM 989 C PRO A 65 -11.312 -5.465 10.865 1.00 0.00 C ATOM 990 O PRO A 65 -10.463 -5.018 11.635 1.00 0.00 O ATOM 991 CB PRO A 65 -11.224 -7.791 11.804 1.00 0.00 C ATOM 992 CG PRO A 65 -9.772 -8.112 11.895 1.00 0.00 C ATOM 993 CD PRO A 65 -9.285 -8.238 10.478 1.00 0.00 C ATOM 0 HA PRO A 65 -12.301 -7.097 10.005 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.563 -7.238 12.680 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.827 -8.697 11.746 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.232 -7.328 12.425 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.611 -9.038 12.447 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.252 -7.905 10.377 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.323 -9.270 10.130 1.00 0.00 H new ATOM 1001 N SER A 66 -12.233 -4.704 10.281 1.00 0.00 N ATOM 1002 CA SER A 66 -12.296 -3.266 10.515 1.00 0.00 C ATOM 1003 C SER A 66 -13.061 -2.958 11.799 1.00 0.00 C ATOM 1004 O SER A 66 -14.284 -3.086 11.852 1.00 0.00 O ATOM 1005 CB SER A 66 -12.963 -2.564 9.331 1.00 0.00 C ATOM 1006 OG SER A 66 -14.323 -2.942 9.213 1.00 0.00 O ATOM 0 H SER A 66 -12.945 -5.059 9.643 1.00 0.00 H new ATOM 0 HA SER A 66 -11.277 -2.895 10.621 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.893 -1.484 9.458 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.433 -2.812 8.412 1.00 0.00 H new ATOM 0 HG SER A 66 -14.723 -3.009 10.105 1.00 0.00 H new ATOM 1012 N SER A 67 -12.330 -2.551 12.832 1.00 0.00 N ATOM 1013 CA SER A 67 -12.938 -2.228 14.118 1.00 0.00 C ATOM 1014 C SER A 67 -14.108 -1.265 13.939 1.00 0.00 C ATOM 1015 O SER A 67 -15.226 -1.542 14.371 1.00 0.00 O ATOM 1016 CB SER A 67 -11.897 -1.615 15.058 1.00 0.00 C ATOM 1017 OG SER A 67 -11.142 -2.622 15.708 1.00 0.00 O ATOM 0 H SER A 67 -11.317 -2.437 12.804 1.00 0.00 H new ATOM 0 HA SER A 67 -13.315 -3.152 14.557 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.230 -0.964 14.492 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.395 -0.993 15.801 1.00 0.00 H new ATOM 0 HG SER A 67 -10.483 -2.205 16.301 1.00 0.00 H new ATOM 1023 N GLY A 68 -13.840 -0.130 13.299 1.00 0.00 N ATOM 1024 CA GLY A 68 -14.879 0.857 13.074 1.00 0.00 C ATOM 1025 C GLY A 68 -14.718 2.080 13.956 1.00 0.00 C ATOM 1026 O GLY A 68 -14.169 1.993 15.054 1.00 0.00 O ATOM 0 H GLY A 68 -12.922 0.123 12.933 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.865 1.163 12.028 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.853 0.404 13.260 1.00 0.00 H new TER 1030 GLY A 68