USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 416 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 13 TYR OH : rot -30:sc= 0.332 USER MOD Set 1.2: A 34 THR OG1 : rot 65:sc= 1.74 USER MOD Single : A 2 SER OG : rot 32:sc= 0.657 USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= 0.728 (180deg=0.0761) USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0446) USER MOD Single : A 22 GLN : amide:sc= -0.0407 X(o=-0.041,f=-0.5) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0341 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.493 X(o=0.49,f=-0.0045) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0.998 (180deg=0.805) USER MOD Single : A 62 SER OG : rot 180:sc= 0.445 USER MOD Single : A 67 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 2 1.224 -0.284 -2.243 1.00 0.00 N ATOM 26 CA SER A 2 1.150 -1.487 -3.049 1.00 0.00 C ATOM 27 C SER A 2 0.861 -1.225 -4.531 1.00 0.00 C ATOM 28 O SER A 2 1.600 -1.739 -5.364 1.00 0.00 O ATOM 29 CB SER A 2 0.200 -2.497 -2.405 1.00 0.00 C ATOM 30 OG SER A 2 0.248 -2.333 -0.998 1.00 0.00 O ATOM 0 HA SER A 2 2.145 -1.933 -3.062 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.816 -2.345 -2.769 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.487 -3.513 -2.677 1.00 0.00 H new ATOM 0 HG SER A 2 0.418 -1.392 -0.784 1.00 0.00 H new ATOM 36 N PRO A 3 -0.155 -0.423 -4.895 1.00 0.00 N ATOM 37 CA PRO A 3 -0.426 -0.105 -6.289 1.00 0.00 C ATOM 38 C PRO A 3 0.836 0.310 -7.055 1.00 0.00 C ATOM 39 O PRO A 3 1.158 -0.287 -8.081 1.00 0.00 O ATOM 40 CB PRO A 3 -1.483 1.003 -6.254 1.00 0.00 C ATOM 41 CG PRO A 3 -2.243 0.694 -4.967 1.00 0.00 C ATOM 42 CD PRO A 3 -1.113 0.258 -4.035 1.00 0.00 C ATOM 0 HA PRO A 3 -0.786 -0.979 -6.832 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -1.031 1.995 -6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.134 0.970 -7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.774 1.566 -4.586 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.984 -0.093 -5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.658 1.115 -3.539 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -1.481 -0.405 -3.252 1.00 0.00 H new ATOM 50 N GLU A 4 1.562 1.312 -6.545 1.00 0.00 N ATOM 51 CA GLU A 4 2.748 1.834 -7.211 1.00 0.00 C ATOM 52 C GLU A 4 3.936 0.878 -7.083 1.00 0.00 C ATOM 53 O GLU A 4 4.721 0.744 -8.018 1.00 0.00 O ATOM 54 CB GLU A 4 3.073 3.262 -6.741 1.00 0.00 C ATOM 55 CG GLU A 4 3.242 3.410 -5.221 1.00 0.00 C ATOM 56 CD GLU A 4 3.736 4.795 -4.814 1.00 0.00 C ATOM 57 OE1 GLU A 4 3.392 5.762 -5.527 1.00 0.00 O ATOM 58 OE2 GLU A 4 4.445 4.858 -3.786 1.00 0.00 O ATOM 0 H GLU A 4 1.341 1.777 -5.665 1.00 0.00 H new ATOM 0 HA GLU A 4 2.529 1.903 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.990 3.592 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.278 3.930 -7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.288 3.211 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.946 2.658 -4.863 1.00 0.00 H new ATOM 65 N GLU A 5 4.067 0.199 -5.941 1.00 0.00 N ATOM 66 CA GLU A 5 5.108 -0.797 -5.737 1.00 0.00 C ATOM 67 C GLU A 5 4.999 -1.873 -6.822 1.00 0.00 C ATOM 68 O GLU A 5 5.942 -2.129 -7.574 1.00 0.00 O ATOM 69 CB GLU A 5 4.946 -1.378 -4.328 1.00 0.00 C ATOM 70 CG GLU A 5 6.005 -2.420 -3.952 1.00 0.00 C ATOM 71 CD GLU A 5 5.735 -2.959 -2.551 1.00 0.00 C ATOM 72 OE1 GLU A 5 4.682 -3.616 -2.391 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.566 -2.677 -1.659 1.00 0.00 O ATOM 0 H GLU A 5 3.453 0.328 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 5 6.101 -0.355 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.982 -0.563 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.959 -1.834 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.994 -3.237 -4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.998 -1.972 -3.993 1.00 0.00 H new ATOM 80 N LEU A 6 3.821 -2.493 -6.913 1.00 0.00 N ATOM 81 CA LEU A 6 3.585 -3.542 -7.883 1.00 0.00 C ATOM 82 C LEU A 6 3.577 -2.965 -9.295 1.00 0.00 C ATOM 83 O LEU A 6 4.002 -3.660 -10.212 1.00 0.00 O ATOM 84 CB LEU A 6 2.320 -4.358 -7.575 1.00 0.00 C ATOM 85 CG LEU A 6 2.388 -5.306 -6.360 1.00 0.00 C ATOM 86 CD1 LEU A 6 3.724 -6.037 -6.211 1.00 0.00 C ATOM 87 CD2 LEU A 6 2.040 -4.644 -5.025 1.00 0.00 C ATOM 0 H LEU A 6 3.019 -2.279 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 6 4.410 -4.251 -7.814 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.496 -3.662 -7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.074 -4.951 -8.456 1.00 0.00 H new ATOM 0 HG LEU A 6 1.615 -6.038 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.690 -6.683 -5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.909 -6.641 -7.099 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.526 -5.308 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.112 -5.380 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.736 -3.828 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.024 -4.252 -5.067 1.00 0.00 H new ATOM 99 N LYS A 7 3.148 -1.710 -9.498 1.00 0.00 N ATOM 100 CA LYS A 7 3.339 -1.060 -10.787 1.00 0.00 C ATOM 101 C LYS A 7 4.813 -1.068 -11.172 1.00 0.00 C ATOM 102 O LYS A 7 5.138 -1.459 -12.285 1.00 0.00 O ATOM 103 CB LYS A 7 2.802 0.373 -10.804 1.00 0.00 C ATOM 104 CG LYS A 7 2.801 0.920 -12.238 1.00 0.00 C ATOM 105 CD LYS A 7 2.074 2.266 -12.296 1.00 0.00 C ATOM 106 CE LYS A 7 2.174 2.896 -13.692 1.00 0.00 C ATOM 107 NZ LYS A 7 1.686 1.990 -14.748 1.00 0.00 N ATOM 0 H LYS A 7 2.676 -1.140 -8.796 1.00 0.00 H new ATOM 0 HA LYS A 7 2.767 -1.631 -11.519 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.791 0.395 -10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.417 1.007 -10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.826 1.038 -12.590 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.315 0.208 -12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.026 2.127 -12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.501 2.944 -11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.597 3.821 -13.714 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.211 3.163 -13.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.356 2.549 -15.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.458 1.362 -15.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.899 1.419 -14.379 1.00 0.00 H new ATOM 121 N GLY A 8 5.702 -0.637 -10.275 1.00 0.00 N ATOM 122 CA GLY A 8 7.132 -0.616 -10.536 1.00 0.00 C ATOM 123 C GLY A 8 7.611 -1.985 -11.015 1.00 0.00 C ATOM 124 O GLY A 8 8.192 -2.105 -12.094 1.00 0.00 O ATOM 0 H GLY A 8 5.445 -0.294 -9.349 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.359 0.139 -11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.668 -0.333 -9.630 1.00 0.00 H new ATOM 128 N ILE A 9 7.336 -3.020 -10.216 1.00 0.00 N ATOM 129 CA ILE A 9 7.700 -4.393 -10.554 1.00 0.00 C ATOM 130 C ILE A 9 7.137 -4.759 -11.932 1.00 0.00 C ATOM 131 O ILE A 9 7.887 -5.113 -12.844 1.00 0.00 O ATOM 132 CB ILE A 9 7.208 -5.347 -9.449 1.00 0.00 C ATOM 133 CG1 ILE A 9 7.927 -5.064 -8.119 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.415 -6.810 -9.837 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.506 -6.055 -7.030 1.00 0.00 C ATOM 0 H ILE A 9 6.856 -2.927 -9.321 1.00 0.00 H new ATOM 0 HA ILE A 9 8.784 -4.488 -10.612 1.00 0.00 H new ATOM 0 HB ILE A 9 6.140 -5.168 -9.326 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.005 -5.122 -8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.704 -4.048 -7.793 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.056 -7.454 -9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.861 -7.026 -10.750 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.476 -6.995 -10.004 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.034 -5.825 -6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.432 -5.978 -6.864 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.752 -7.069 -7.346 1.00 0.00 H new ATOM 147 N PHE A 10 5.810 -4.675 -12.065 1.00 0.00 N ATOM 148 CA PHE A 10 5.081 -4.917 -13.305 1.00 0.00 C ATOM 149 C PHE A 10 5.808 -4.276 -14.489 1.00 0.00 C ATOM 150 O PHE A 10 6.115 -4.952 -15.466 1.00 0.00 O ATOM 151 CB PHE A 10 3.636 -4.401 -13.173 1.00 0.00 C ATOM 152 CG PHE A 10 2.874 -4.316 -14.481 1.00 0.00 C ATOM 153 CD1 PHE A 10 3.055 -3.195 -15.316 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.120 -5.410 -14.941 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.652 -3.248 -16.658 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.617 -5.409 -16.252 1.00 0.00 C ATOM 157 CZ PHE A 10 1.943 -4.363 -17.129 1.00 0.00 C ATOM 0 H PHE A 10 5.198 -4.429 -11.287 1.00 0.00 H new ATOM 0 HA PHE A 10 5.038 -5.990 -13.494 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.091 -5.055 -12.492 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.658 -3.412 -12.715 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.504 -2.295 -14.922 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.928 -6.249 -14.288 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.887 -2.433 -17.327 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.979 -6.214 -16.586 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.648 -4.416 -18.167 1.00 0.00 H new ATOM 167 N GLU A 11 6.083 -2.973 -14.399 1.00 0.00 N ATOM 168 CA GLU A 11 6.660 -2.195 -15.480 1.00 0.00 C ATOM 169 C GLU A 11 8.057 -2.714 -15.811 1.00 0.00 C ATOM 170 O GLU A 11 8.392 -2.874 -16.980 1.00 0.00 O ATOM 171 CB GLU A 11 6.672 -0.696 -15.125 1.00 0.00 C ATOM 172 CG GLU A 11 6.282 0.177 -16.327 1.00 0.00 C ATOM 173 CD GLU A 11 4.801 0.041 -16.684 1.00 0.00 C ATOM 174 OE1 GLU A 11 3.966 0.274 -15.782 1.00 0.00 O ATOM 175 OE2 GLU A 11 4.526 -0.289 -17.859 1.00 0.00 O ATOM 0 H GLU A 11 5.905 -2.427 -13.556 1.00 0.00 H new ATOM 0 HA GLU A 11 6.043 -2.309 -16.371 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.981 -0.512 -14.302 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.665 -0.413 -14.777 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.506 1.220 -16.104 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.889 -0.102 -17.188 1.00 0.00 H new ATOM 182 N LYS A 12 8.879 -2.975 -14.790 1.00 0.00 N ATOM 183 CA LYS A 12 10.223 -3.497 -15.000 1.00 0.00 C ATOM 184 C LYS A 12 10.185 -4.843 -15.729 1.00 0.00 C ATOM 185 O LYS A 12 10.947 -5.050 -16.671 1.00 0.00 O ATOM 186 CB LYS A 12 10.970 -3.599 -13.665 1.00 0.00 C ATOM 187 CG LYS A 12 11.304 -2.206 -13.114 1.00 0.00 C ATOM 188 CD LYS A 12 11.869 -2.323 -11.694 1.00 0.00 C ATOM 189 CE LYS A 12 12.103 -0.946 -11.061 1.00 0.00 C ATOM 190 NZ LYS A 12 13.101 -0.157 -11.805 1.00 0.00 N ATOM 0 H LYS A 12 8.632 -2.831 -13.811 1.00 0.00 H new ATOM 0 HA LYS A 12 10.768 -2.801 -15.638 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.360 -4.143 -12.944 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.888 -4.170 -13.801 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.029 -1.714 -13.763 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.408 -1.585 -13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.179 -2.896 -11.074 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.808 -2.876 -11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.161 -0.399 -11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.436 -1.073 -10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.291 0.730 -11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.982 -0.703 -11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.735 0.059 -12.754 1.00 0.00 H new ATOM 204 N TYR A 13 9.306 -5.758 -15.316 1.00 0.00 N ATOM 205 CA TYR A 13 9.111 -7.004 -16.048 1.00 0.00 C ATOM 206 C TYR A 13 8.625 -6.741 -17.475 1.00 0.00 C ATOM 207 O TYR A 13 9.272 -7.138 -18.441 1.00 0.00 O ATOM 208 CB TYR A 13 8.165 -7.917 -15.271 1.00 0.00 C ATOM 209 CG TYR A 13 8.888 -8.695 -14.195 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.642 -9.825 -14.556 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.773 -8.339 -12.841 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.288 -10.583 -13.568 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.468 -9.063 -11.862 1.00 0.00 C ATOM 214 CZ TYR A 13 10.229 -10.185 -12.224 1.00 0.00 C ATOM 215 OH TYR A 13 10.815 -10.934 -11.252 1.00 0.00 O ATOM 0 H TYR A 13 8.723 -5.658 -14.485 1.00 0.00 H new ATOM 0 HA TYR A 13 10.069 -7.515 -16.141 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.375 -7.319 -14.817 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.684 -8.611 -15.960 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.724 -10.110 -15.595 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.148 -7.506 -12.554 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.832 -11.475 -13.843 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.418 -8.757 -10.828 1.00 0.00 H new ATOM 0 HH TYR A 13 10.807 -11.878 -11.516 1.00 0.00 H new ATOM 225 N ALA A 14 7.483 -6.071 -17.604 1.00 0.00 N ATOM 226 CA ALA A 14 6.872 -5.683 -18.865 1.00 0.00 C ATOM 227 C ALA A 14 7.884 -5.120 -19.864 1.00 0.00 C ATOM 228 O ALA A 14 7.903 -5.531 -21.017 1.00 0.00 O ATOM 229 CB ALA A 14 5.759 -4.675 -18.593 1.00 0.00 C ATOM 0 H ALA A 14 6.937 -5.772 -16.796 1.00 0.00 H new ATOM 0 HA ALA A 14 6.457 -6.579 -19.327 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.297 -4.380 -19.535 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.008 -5.128 -17.946 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.176 -3.795 -18.103 1.00 0.00 H new ATOM 235 N ALA A 15 8.748 -4.210 -19.418 1.00 0.00 N ATOM 236 CA ALA A 15 9.817 -3.618 -20.217 1.00 0.00 C ATOM 237 C ALA A 15 10.671 -4.651 -20.967 1.00 0.00 C ATOM 238 O ALA A 15 11.197 -4.343 -22.035 1.00 0.00 O ATOM 239 CB ALA A 15 10.700 -2.737 -19.328 1.00 0.00 C ATOM 0 H ALA A 15 8.722 -3.854 -18.462 1.00 0.00 H new ATOM 0 HA ALA A 15 9.336 -3.013 -20.986 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.497 -2.297 -19.928 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.096 -1.943 -18.888 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.136 -3.343 -18.534 1.00 0.00 H new ATOM 329 N GLN A 22 3.438 -4.381 -21.085 1.00 0.00 N ATOM 330 CA GLN A 22 2.562 -5.531 -20.910 1.00 0.00 C ATOM 331 C GLN A 22 3.340 -6.794 -20.562 1.00 0.00 C ATOM 332 O GLN A 22 4.522 -6.904 -20.873 1.00 0.00 O ATOM 333 CB GLN A 22 1.708 -5.755 -22.164 1.00 0.00 C ATOM 334 CG GLN A 22 0.289 -5.251 -21.912 1.00 0.00 C ATOM 335 CD GLN A 22 -0.749 -5.764 -22.897 1.00 0.00 C ATOM 336 OE1 GLN A 22 -1.739 -6.359 -22.484 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.547 -5.560 -24.191 1.00 0.00 N ATOM 0 HA GLN A 22 1.904 -5.311 -20.069 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.146 -5.231 -23.013 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.689 -6.815 -22.419 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.011 -5.539 -20.905 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.293 -4.161 -21.944 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.286 -5.062 -24.505 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.224 -5.901 -24.873 1.00 0.00 H new ATOM 346 N LEU A 23 2.653 -7.744 -19.919 1.00 0.00 N ATOM 347 CA LEU A 23 3.210 -9.030 -19.539 1.00 0.00 C ATOM 348 C LEU A 23 2.572 -10.128 -20.395 1.00 0.00 C ATOM 349 O LEU A 23 1.395 -10.433 -20.216 1.00 0.00 O ATOM 350 CB LEU A 23 2.932 -9.310 -18.053 1.00 0.00 C ATOM 351 CG LEU A 23 3.407 -8.230 -17.075 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.889 -8.567 -15.679 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.921 -8.141 -16.978 1.00 0.00 C ATOM 0 H LEU A 23 1.677 -7.631 -19.647 1.00 0.00 H new ATOM 0 HA LEU A 23 4.288 -9.015 -19.699 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.859 -9.446 -17.922 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.408 -10.253 -17.784 1.00 0.00 H new ATOM 0 HG LEU A 23 3.026 -7.279 -17.448 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.221 -7.805 -14.974 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.800 -8.599 -15.693 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.276 -9.539 -15.372 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.195 -7.359 -16.270 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.320 -9.096 -16.636 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.335 -7.905 -17.958 1.00 0.00 H new ATOM 365 N SER A 24 3.319 -10.746 -21.310 1.00 0.00 N ATOM 366 CA SER A 24 2.868 -11.949 -21.999 1.00 0.00 C ATOM 367 C SER A 24 2.835 -13.101 -20.998 1.00 0.00 C ATOM 368 O SER A 24 3.461 -12.994 -19.952 1.00 0.00 O ATOM 369 CB SER A 24 3.841 -12.237 -23.142 1.00 0.00 C ATOM 370 OG SER A 24 5.171 -12.126 -22.671 1.00 0.00 O ATOM 0 H SER A 24 4.246 -10.428 -21.591 1.00 0.00 H new ATOM 0 HA SER A 24 1.867 -11.821 -22.411 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.667 -13.237 -23.538 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.674 -11.537 -23.960 1.00 0.00 H new ATOM 0 HG SER A 24 5.794 -12.312 -23.404 1.00 0.00 H new ATOM 376 N LYS A 25 2.149 -14.208 -21.304 1.00 0.00 N ATOM 377 CA LYS A 25 2.081 -15.395 -20.452 1.00 0.00 C ATOM 378 C LYS A 25 3.403 -15.728 -19.775 1.00 0.00 C ATOM 379 O LYS A 25 3.417 -16.001 -18.583 1.00 0.00 O ATOM 380 CB LYS A 25 1.614 -16.614 -21.248 1.00 0.00 C ATOM 381 CG LYS A 25 0.166 -16.492 -21.732 1.00 0.00 C ATOM 382 CD LYS A 25 -0.283 -17.785 -22.422 1.00 0.00 C ATOM 383 CE LYS A 25 -1.762 -17.682 -22.814 1.00 0.00 C ATOM 384 NZ LYS A 25 -2.232 -18.916 -23.466 1.00 0.00 N ATOM 0 H LYS A 25 1.616 -14.303 -22.168 1.00 0.00 H new ATOM 0 HA LYS A 25 1.359 -15.153 -19.672 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.269 -16.752 -22.108 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.710 -17.505 -20.628 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.489 -16.278 -20.887 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.078 -15.654 -22.424 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.325 -17.964 -23.308 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.133 -18.634 -21.755 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.363 -17.486 -21.926 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.904 -16.836 -23.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.236 -18.814 -23.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.674 -19.088 -24.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.119 -19.718 -22.814 1.00 0.00 H new ATOM 398 N GLU A 26 4.511 -15.708 -20.514 1.00 0.00 N ATOM 399 CA GLU A 26 5.805 -16.045 -19.942 1.00 0.00 C ATOM 400 C GLU A 26 6.347 -14.928 -19.048 1.00 0.00 C ATOM 401 O GLU A 26 7.006 -15.217 -18.053 1.00 0.00 O ATOM 402 CB GLU A 26 6.785 -16.449 -21.046 1.00 0.00 C ATOM 403 CG GLU A 26 6.285 -17.712 -21.762 1.00 0.00 C ATOM 404 CD GLU A 26 6.209 -18.920 -20.828 1.00 0.00 C ATOM 405 OE1 GLU A 26 7.291 -19.386 -20.409 1.00 0.00 O ATOM 406 OE2 GLU A 26 5.069 -19.342 -20.532 1.00 0.00 O ATOM 0 H GLU A 26 4.535 -15.463 -21.504 1.00 0.00 H new ATOM 0 HA GLU A 26 5.676 -16.907 -19.287 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.893 -15.635 -21.762 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.771 -16.631 -20.619 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.299 -17.520 -22.185 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.950 -17.941 -22.595 1.00 0.00 H new ATOM 413 N GLU A 27 6.058 -13.661 -19.355 1.00 0.00 N ATOM 414 CA GLU A 27 6.458 -12.569 -18.474 1.00 0.00 C ATOM 415 C GLU A 27 5.626 -12.648 -17.183 1.00 0.00 C ATOM 416 O GLU A 27 6.162 -12.562 -16.077 1.00 0.00 O ATOM 417 CB GLU A 27 6.289 -11.231 -19.211 1.00 0.00 C ATOM 418 CG GLU A 27 7.200 -10.121 -18.656 1.00 0.00 C ATOM 419 CD GLU A 27 8.658 -10.318 -19.063 1.00 0.00 C ATOM 420 OE1 GLU A 27 8.918 -10.258 -20.284 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.481 -10.537 -18.147 1.00 0.00 O ATOM 0 H GLU A 27 5.556 -13.372 -20.195 1.00 0.00 H new ATOM 0 HA GLU A 27 7.509 -12.649 -18.197 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.505 -11.376 -20.270 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.250 -10.911 -19.138 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.851 -9.153 -19.015 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.127 -10.102 -17.569 1.00 0.00 H new ATOM 428 N LEU A 28 4.311 -12.853 -17.334 1.00 0.00 N ATOM 429 CA LEU A 28 3.364 -13.050 -16.252 1.00 0.00 C ATOM 430 C LEU A 28 3.807 -14.240 -15.398 1.00 0.00 C ATOM 431 O LEU A 28 3.856 -14.156 -14.172 1.00 0.00 O ATOM 432 CB LEU A 28 1.957 -13.199 -16.860 1.00 0.00 C ATOM 433 CG LEU A 28 0.767 -13.218 -15.882 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.543 -14.599 -15.255 1.00 0.00 C ATOM 435 CD2 LEU A 28 0.867 -12.132 -14.808 1.00 0.00 C ATOM 0 H LEU A 28 3.870 -12.886 -18.253 1.00 0.00 H new ATOM 0 HA LEU A 28 3.331 -12.194 -15.578 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.804 -12.380 -17.563 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.935 -14.123 -17.438 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.111 -12.991 -16.486 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.307 -14.556 -14.574 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.342 -15.327 -16.041 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.435 -14.897 -14.703 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.002 -12.193 -14.147 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.778 -12.277 -14.227 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.892 -11.151 -15.283 1.00 0.00 H new ATOM 447 N LYS A 29 4.178 -15.349 -16.037 1.00 0.00 N ATOM 448 CA LYS A 29 4.744 -16.477 -15.326 1.00 0.00 C ATOM 449 C LYS A 29 5.985 -16.033 -14.560 1.00 0.00 C ATOM 450 O LYS A 29 6.076 -16.278 -13.360 1.00 0.00 O ATOM 451 CB LYS A 29 5.075 -17.587 -16.335 1.00 0.00 C ATOM 452 CG LYS A 29 5.570 -18.889 -15.703 1.00 0.00 C ATOM 453 CD LYS A 29 6.035 -19.832 -16.821 1.00 0.00 C ATOM 454 CE LYS A 29 6.417 -21.193 -16.238 1.00 0.00 C ATOM 455 NZ LYS A 29 6.874 -22.115 -17.292 1.00 0.00 N ATOM 0 H LYS A 29 4.094 -15.483 -17.045 1.00 0.00 H new ATOM 0 HA LYS A 29 4.028 -16.867 -14.603 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.185 -17.800 -16.927 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.836 -17.220 -17.024 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.390 -18.687 -15.014 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.773 -19.354 -15.123 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.241 -19.954 -17.558 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.889 -19.398 -17.341 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.205 -21.065 -15.496 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.559 -21.624 -15.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.126 -23.030 -16.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.112 -22.254 -17.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.707 -21.713 -17.768 1.00 0.00 H new ATOM 469 N LEU A 30 6.941 -15.399 -15.241 1.00 0.00 N ATOM 470 CA LEU A 30 8.218 -15.036 -14.654 1.00 0.00 C ATOM 471 C LEU A 30 8.026 -14.216 -13.378 1.00 0.00 C ATOM 472 O LEU A 30 8.572 -14.579 -12.332 1.00 0.00 O ATOM 473 CB LEU A 30 9.092 -14.312 -15.688 1.00 0.00 C ATOM 474 CG LEU A 30 10.534 -14.075 -15.208 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.320 -15.385 -15.067 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.257 -13.170 -16.211 1.00 0.00 C ATOM 0 H LEU A 30 6.844 -15.125 -16.219 1.00 0.00 H new ATOM 0 HA LEU A 30 8.742 -15.946 -14.362 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.114 -14.897 -16.608 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.635 -13.353 -15.931 1.00 0.00 H new ATOM 0 HG LEU A 30 10.482 -13.606 -14.225 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.332 -15.167 -14.726 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.824 -16.031 -14.342 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.363 -15.889 -16.032 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.280 -12.999 -15.875 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.272 -13.650 -17.189 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.734 -12.216 -16.283 1.00 0.00 H new ATOM 488 N LEU A 31 7.258 -13.118 -13.424 1.00 0.00 N ATOM 489 CA LEU A 31 7.135 -12.292 -12.226 1.00 0.00 C ATOM 490 C LEU A 31 6.315 -12.976 -11.141 1.00 0.00 C ATOM 491 O LEU A 31 6.657 -12.840 -9.970 1.00 0.00 O ATOM 492 CB LEU A 31 6.758 -10.828 -12.493 1.00 0.00 C ATOM 493 CG LEU A 31 5.286 -10.421 -12.542 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.180 -8.900 -12.695 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.628 -11.054 -13.747 1.00 0.00 C ATOM 0 H LEU A 31 6.737 -12.796 -14.239 1.00 0.00 H new ATOM 0 HA LEU A 31 8.143 -12.204 -11.821 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.237 -10.223 -11.723 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.206 -10.545 -13.446 1.00 0.00 H new ATOM 0 HG LEU A 31 4.799 -10.748 -11.623 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.130 -8.610 -12.730 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.662 -8.414 -11.847 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.672 -8.592 -13.617 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.578 -10.764 -13.782 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.129 -10.716 -14.654 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.702 -12.139 -13.674 1.00 0.00 H new ATOM 507 N LEU A 32 5.279 -13.751 -11.485 1.00 0.00 N ATOM 508 CA LEU A 32 4.572 -14.496 -10.447 1.00 0.00 C ATOM 509 C LEU A 32 5.491 -15.548 -9.836 1.00 0.00 C ATOM 510 O LEU A 32 5.455 -15.747 -8.627 1.00 0.00 O ATOM 511 CB LEU A 32 3.240 -15.068 -10.954 1.00 0.00 C ATOM 512 CG LEU A 32 2.084 -14.074 -10.768 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.439 -12.681 -11.288 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.864 -14.578 -11.531 1.00 0.00 C ATOM 0 H LEU A 32 4.926 -13.874 -12.434 1.00 0.00 H new ATOM 0 HA LEU A 32 4.298 -13.807 -9.648 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.333 -15.324 -12.009 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.015 -15.991 -10.421 1.00 0.00 H new ATOM 0 HG LEU A 32 1.879 -14.000 -9.700 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.594 -12.010 -11.137 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.306 -12.301 -10.747 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.671 -12.738 -12.351 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.039 -13.877 -11.403 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.107 -14.663 -12.590 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.572 -15.555 -11.146 1.00 0.00 H new ATOM 526 N GLN A 33 6.358 -16.181 -10.628 1.00 0.00 N ATOM 527 CA GLN A 33 7.352 -17.096 -10.088 1.00 0.00 C ATOM 528 C GLN A 33 8.280 -16.347 -9.131 1.00 0.00 C ATOM 529 O GLN A 33 8.500 -16.798 -8.013 1.00 0.00 O ATOM 530 CB GLN A 33 8.174 -17.758 -11.215 1.00 0.00 C ATOM 531 CG GLN A 33 7.974 -19.277 -11.334 1.00 0.00 C ATOM 532 CD GLN A 33 6.597 -19.738 -11.809 1.00 0.00 C ATOM 533 OE1 GLN A 33 6.271 -20.913 -11.685 1.00 0.00 O ATOM 534 NE2 GLN A 33 5.775 -18.859 -12.372 1.00 0.00 N ATOM 0 H GLN A 33 6.388 -16.074 -11.642 1.00 0.00 H new ATOM 0 HA GLN A 33 6.831 -17.884 -9.545 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.908 -17.293 -12.164 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.231 -17.555 -11.045 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.723 -19.669 -12.022 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.169 -19.726 -10.360 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.059 -17.884 -12.469 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.860 -19.159 -12.707 1.00 0.00 H new ATOM 543 N THR A 34 8.851 -15.226 -9.582 1.00 0.00 N ATOM 544 CA THR A 34 9.845 -14.510 -8.792 1.00 0.00 C ATOM 545 C THR A 34 9.211 -13.989 -7.498 1.00 0.00 C ATOM 546 O THR A 34 9.698 -14.255 -6.402 1.00 0.00 O ATOM 547 CB THR A 34 10.474 -13.350 -9.586 1.00 0.00 C ATOM 548 OG1 THR A 34 10.790 -13.687 -10.928 1.00 0.00 O ATOM 549 CG2 THR A 34 11.771 -12.904 -8.901 1.00 0.00 C ATOM 0 H THR A 34 8.641 -14.800 -10.485 1.00 0.00 H new ATOM 0 HA THR A 34 10.643 -15.209 -8.544 1.00 0.00 H new ATOM 0 HB THR A 34 9.726 -12.557 -9.605 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.964 -13.875 -11.421 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.216 -12.083 -9.463 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.551 -12.572 -7.886 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.470 -13.740 -8.865 1.00 0.00 H new ATOM 557 N GLU A 35 8.139 -13.206 -7.640 1.00 0.00 N ATOM 558 CA GLU A 35 7.535 -12.449 -6.564 1.00 0.00 C ATOM 559 C GLU A 35 6.567 -13.303 -5.740 1.00 0.00 C ATOM 560 O GLU A 35 6.493 -13.128 -4.526 1.00 0.00 O ATOM 561 CB GLU A 35 6.857 -11.206 -7.164 1.00 0.00 C ATOM 562 CG GLU A 35 7.810 -10.363 -8.023 1.00 0.00 C ATOM 563 CD GLU A 35 9.079 -9.956 -7.281 1.00 0.00 C ATOM 564 OE1 GLU A 35 8.936 -9.317 -6.216 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.167 -10.293 -7.793 1.00 0.00 O ATOM 0 H GLU A 35 7.662 -13.084 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 35 8.306 -12.129 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.008 -11.519 -7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.461 -10.589 -6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.082 -10.928 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.290 -9.467 -8.360 1.00 0.00 H new ATOM 572 N PHE A 36 5.817 -14.212 -6.379 1.00 0.00 N ATOM 573 CA PHE A 36 4.712 -14.929 -5.745 1.00 0.00 C ATOM 574 C PHE A 36 4.782 -16.454 -5.952 1.00 0.00 C ATOM 575 O PHE A 36 3.803 -17.037 -6.436 1.00 0.00 O ATOM 576 CB PHE A 36 3.408 -14.355 -6.321 1.00 0.00 C ATOM 577 CG PHE A 36 3.301 -12.835 -6.262 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.547 -12.156 -5.054 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.089 -12.093 -7.439 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.686 -10.757 -5.046 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.215 -10.694 -7.430 1.00 0.00 C ATOM 582 CZ PHE A 36 3.557 -10.031 -6.242 1.00 0.00 C ATOM 0 H PHE A 36 5.964 -14.469 -7.355 1.00 0.00 H new ATOM 0 HA PHE A 36 4.766 -14.785 -4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.315 -14.672 -7.360 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.566 -14.786 -5.779 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.629 -12.711 -4.131 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.828 -12.602 -8.355 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.892 -10.240 -4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.049 -10.130 -8.336 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.721 -8.964 -6.247 1.00 0.00 H new ATOM 726 N LEU A 46 -1.081 -21.411 -14.495 1.00 0.00 N ATOM 727 CA LEU A 46 -0.805 -20.225 -15.295 1.00 0.00 C ATOM 728 C LEU A 46 -1.880 -20.063 -16.364 1.00 0.00 C ATOM 729 O LEU A 46 -2.341 -18.955 -16.607 1.00 0.00 O ATOM 730 CB LEU A 46 0.569 -20.330 -15.969 1.00 0.00 C ATOM 731 CG LEU A 46 0.940 -19.049 -16.747 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.499 -17.993 -15.790 1.00 0.00 C ATOM 733 CD2 LEU A 46 1.985 -19.396 -17.811 1.00 0.00 C ATOM 0 HA LEU A 46 -0.806 -19.358 -14.634 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.328 -20.525 -15.212 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.573 -21.180 -16.651 1.00 0.00 H new ATOM 0 HG LEU A 46 0.049 -18.644 -17.226 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.757 -17.094 -16.350 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.748 -17.749 -15.039 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.391 -18.383 -15.299 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.253 -18.496 -18.365 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.874 -19.803 -17.329 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.574 -20.136 -18.497 1.00 0.00 H new ATOM 745 N ASP A 47 -2.290 -21.167 -16.992 1.00 0.00 N ATOM 746 CA ASP A 47 -3.359 -21.147 -17.972 1.00 0.00 C ATOM 747 C ASP A 47 -4.619 -20.501 -17.391 1.00 0.00 C ATOM 748 O ASP A 47 -5.141 -19.539 -17.952 1.00 0.00 O ATOM 749 CB ASP A 47 -3.636 -22.580 -18.430 1.00 0.00 C ATOM 750 CG ASP A 47 -4.810 -22.624 -19.402 1.00 0.00 C ATOM 751 OD1 ASP A 47 -4.581 -22.277 -20.581 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.913 -22.992 -18.943 1.00 0.00 O ATOM 0 H ASP A 47 -1.888 -22.091 -16.832 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.056 -20.547 -18.830 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.747 -22.991 -18.908 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.851 -23.207 -17.565 1.00 0.00 H new ATOM 757 N GLU A 48 -5.105 -21.028 -16.264 1.00 0.00 N ATOM 758 CA GLU A 48 -6.370 -20.589 -15.695 1.00 0.00 C ATOM 759 C GLU A 48 -6.241 -19.152 -15.195 1.00 0.00 C ATOM 760 O GLU A 48 -7.077 -18.300 -15.495 1.00 0.00 O ATOM 761 CB GLU A 48 -6.775 -21.535 -14.562 1.00 0.00 C ATOM 762 CG GLU A 48 -6.994 -22.963 -15.081 1.00 0.00 C ATOM 763 CD GLU A 48 -7.361 -23.911 -13.946 1.00 0.00 C ATOM 764 OE1 GLU A 48 -8.555 -23.925 -13.579 1.00 0.00 O ATOM 765 OE2 GLU A 48 -6.434 -24.592 -13.458 1.00 0.00 O ATOM 0 H GLU A 48 -4.636 -21.760 -15.731 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.148 -20.613 -16.458 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.001 -21.539 -13.794 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.689 -21.172 -14.091 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.787 -22.963 -15.829 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.089 -23.316 -15.575 1.00 0.00 H new ATOM 772 N LEU A 49 -5.168 -18.892 -14.443 1.00 0.00 N ATOM 773 CA LEU A 49 -4.831 -17.571 -13.954 1.00 0.00 C ATOM 774 C LEU A 49 -4.851 -16.594 -15.122 1.00 0.00 C ATOM 775 O LEU A 49 -5.671 -15.685 -15.127 1.00 0.00 O ATOM 776 CB LEU A 49 -3.464 -17.583 -13.254 1.00 0.00 C ATOM 777 CG LEU A 49 -3.467 -18.359 -11.926 1.00 0.00 C ATOM 778 CD1 LEU A 49 -2.022 -18.597 -11.473 1.00 0.00 C ATOM 779 CD2 LEU A 49 -4.222 -17.601 -10.826 1.00 0.00 C ATOM 0 H LEU A 49 -4.504 -19.612 -14.157 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.566 -17.254 -13.214 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.725 -18.024 -13.923 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.151 -16.556 -13.066 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.976 -19.308 -12.094 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.022 -19.147 -10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.494 -19.175 -12.231 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.522 -17.639 -11.333 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.201 -18.182 -9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.746 -16.635 -10.657 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.256 -17.447 -11.135 1.00 0.00 H new ATOM 791 N PHE A 50 -3.993 -16.790 -16.127 1.00 0.00 N ATOM 792 CA PHE A 50 -3.914 -15.890 -17.266 1.00 0.00 C ATOM 793 C PHE A 50 -5.276 -15.728 -17.940 1.00 0.00 C ATOM 794 O PHE A 50 -5.667 -14.608 -18.261 1.00 0.00 O ATOM 795 CB PHE A 50 -2.862 -16.377 -18.264 1.00 0.00 C ATOM 796 CG PHE A 50 -2.330 -15.274 -19.154 1.00 0.00 C ATOM 797 CD1 PHE A 50 -2.934 -14.975 -20.390 1.00 0.00 C ATOM 798 CD2 PHE A 50 -1.189 -14.561 -18.747 1.00 0.00 C ATOM 799 CE1 PHE A 50 -2.320 -14.057 -21.262 1.00 0.00 C ATOM 800 CE2 PHE A 50 -0.597 -13.625 -19.603 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.121 -13.426 -20.885 1.00 0.00 C ATOM 0 H PHE A 50 -3.341 -17.573 -16.168 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.610 -14.909 -16.900 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.033 -16.826 -17.718 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.295 -17.160 -18.886 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.864 -15.448 -20.668 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.767 -14.736 -17.769 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.769 -13.837 -22.219 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.262 -13.058 -19.275 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.604 -12.787 -21.586 1.00 0.00 H new ATOM 811 N GLU A 51 -6.002 -16.833 -18.142 1.00 0.00 N ATOM 812 CA GLU A 51 -7.317 -16.798 -18.767 1.00 0.00 C ATOM 813 C GLU A 51 -8.264 -15.869 -18.005 1.00 0.00 C ATOM 814 O GLU A 51 -8.995 -15.089 -18.610 1.00 0.00 O ATOM 815 CB GLU A 51 -7.870 -18.226 -18.883 1.00 0.00 C ATOM 816 CG GLU A 51 -9.192 -18.279 -19.661 1.00 0.00 C ATOM 817 CD GLU A 51 -9.674 -19.718 -19.817 1.00 0.00 C ATOM 818 OE1 GLU A 51 -10.105 -20.285 -18.790 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.597 -20.225 -20.957 1.00 0.00 O ATOM 0 H GLU A 51 -5.692 -17.768 -17.877 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.227 -16.388 -19.773 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.134 -18.859 -19.379 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.022 -18.636 -17.885 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.949 -17.692 -19.140 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.059 -17.827 -20.644 1.00 0.00 H new ATOM 826 N GLU A 52 -8.253 -15.954 -16.674 1.00 0.00 N ATOM 827 CA GLU A 52 -9.112 -15.128 -15.836 1.00 0.00 C ATOM 828 C GLU A 52 -8.610 -13.681 -15.843 1.00 0.00 C ATOM 829 O GLU A 52 -9.389 -12.732 -15.897 1.00 0.00 O ATOM 830 CB GLU A 52 -9.132 -15.711 -14.415 1.00 0.00 C ATOM 831 CG GLU A 52 -10.195 -15.031 -13.540 1.00 0.00 C ATOM 832 CD GLU A 52 -10.173 -15.562 -12.111 1.00 0.00 C ATOM 833 OE1 GLU A 52 -10.365 -16.787 -11.954 1.00 0.00 O ATOM 834 OE2 GLU A 52 -9.961 -14.731 -11.201 1.00 0.00 O ATOM 0 H GLU A 52 -7.652 -16.593 -16.153 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.130 -15.126 -16.225 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.330 -16.782 -14.463 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.150 -15.589 -13.957 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.024 -13.954 -13.531 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.182 -15.194 -13.974 1.00 0.00 H new ATOM 841 N LEU A 53 -7.294 -13.525 -15.730 1.00 0.00 N ATOM 842 CA LEU A 53 -6.599 -12.268 -15.529 1.00 0.00 C ATOM 843 C LEU A 53 -6.743 -11.373 -16.758 1.00 0.00 C ATOM 844 O LEU A 53 -7.101 -10.201 -16.642 1.00 0.00 O ATOM 845 CB LEU A 53 -5.131 -12.602 -15.236 1.00 0.00 C ATOM 846 CG LEU A 53 -4.340 -11.534 -14.485 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.929 -12.094 -14.260 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.302 -10.182 -15.186 1.00 0.00 C ATOM 0 H LEU A 53 -6.654 -14.318 -15.780 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.025 -11.714 -14.693 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.097 -13.525 -14.657 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.628 -12.800 -16.182 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.840 -11.326 -13.539 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.327 -11.360 -13.724 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.991 -13.011 -13.673 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.465 -12.310 -15.223 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.721 -9.479 -14.589 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.840 -10.294 -16.167 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.318 -9.805 -15.305 1.00 0.00 H new ATOM 860 N ASP A 54 -6.430 -11.912 -17.940 1.00 0.00 N ATOM 861 CA ASP A 54 -6.361 -11.151 -19.176 1.00 0.00 C ATOM 862 C ASP A 54 -7.776 -10.883 -19.696 1.00 0.00 C ATOM 863 O ASP A 54 -8.200 -11.451 -20.700 1.00 0.00 O ATOM 864 CB ASP A 54 -5.511 -11.916 -20.202 1.00 0.00 C ATOM 865 CG ASP A 54 -5.375 -11.242 -21.573 1.00 0.00 C ATOM 866 OD1 ASP A 54 -5.855 -10.098 -21.736 1.00 0.00 O ATOM 867 OD2 ASP A 54 -4.803 -11.903 -22.468 1.00 0.00 O ATOM 0 H ASP A 54 -6.216 -12.902 -18.059 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.885 -10.187 -18.997 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.514 -12.062 -19.787 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.945 -12.906 -20.343 1.00 0.00 H new ATOM 872 N LYS A 55 -8.491 -9.996 -19.008 1.00 0.00 N ATOM 873 CA LYS A 55 -9.847 -9.561 -19.334 1.00 0.00 C ATOM 874 C LYS A 55 -9.999 -9.225 -20.822 1.00 0.00 C ATOM 875 O LYS A 55 -10.998 -9.575 -21.444 1.00 0.00 O ATOM 876 CB LYS A 55 -10.232 -8.332 -18.492 1.00 0.00 C ATOM 877 CG LYS A 55 -10.085 -8.500 -16.973 1.00 0.00 C ATOM 878 CD LYS A 55 -10.929 -9.660 -16.427 1.00 0.00 C ATOM 879 CE LYS A 55 -10.777 -9.787 -14.908 1.00 0.00 C ATOM 880 NZ LYS A 55 -9.425 -10.241 -14.543 1.00 0.00 N ATOM 0 H LYS A 55 -8.125 -9.541 -18.172 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.514 -10.391 -19.103 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.617 -7.489 -18.808 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.267 -8.072 -18.713 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.037 -8.671 -16.729 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.380 -7.575 -16.478 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.978 -9.500 -16.678 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.625 -10.591 -16.905 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.979 -8.824 -14.438 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.516 -10.491 -14.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.396 -10.464 -13.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.185 -11.091 -15.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.738 -9.489 -14.752 1.00 0.00 H new ATOM 923 N GLY A 59 -3.779 -11.669 -25.080 1.00 0.00 N ATOM 924 CA GLY A 59 -2.634 -12.567 -25.070 1.00 0.00 C ATOM 925 C GLY A 59 -1.506 -11.984 -24.214 1.00 0.00 C ATOM 926 O GLY A 59 -0.414 -12.550 -24.155 1.00 0.00 O ATOM 0 HA2 GLY A 59 -2.930 -13.540 -24.679 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.281 -12.727 -26.089 1.00 0.00 H new ATOM 930 N GLU A 60 -1.784 -10.872 -23.526 1.00 0.00 N ATOM 931 CA GLU A 60 -0.880 -10.148 -22.662 1.00 0.00 C ATOM 932 C GLU A 60 -1.716 -9.530 -21.546 1.00 0.00 C ATOM 933 O GLU A 60 -2.933 -9.415 -21.682 1.00 0.00 O ATOM 934 CB GLU A 60 -0.138 -9.064 -23.439 1.00 0.00 C ATOM 935 CG GLU A 60 0.780 -9.603 -24.540 1.00 0.00 C ATOM 936 CD GLU A 60 1.897 -8.610 -24.838 1.00 0.00 C ATOM 937 OE1 GLU A 60 2.849 -8.590 -24.028 1.00 0.00 O ATOM 938 OE2 GLU A 60 1.774 -7.884 -25.847 1.00 0.00 O ATOM 0 H GLU A 60 -2.705 -10.437 -23.568 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.127 -10.821 -22.251 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.867 -8.389 -23.887 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.456 -8.474 -22.741 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.207 -10.557 -24.231 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.201 -9.791 -25.445 1.00 0.00 H new ATOM 945 N VAL A 61 -1.054 -9.169 -20.450 1.00 0.00 N ATOM 946 CA VAL A 61 -1.650 -8.621 -19.248 1.00 0.00 C ATOM 947 C VAL A 61 -1.122 -7.200 -19.062 1.00 0.00 C ATOM 948 O VAL A 61 0.081 -7.011 -18.870 1.00 0.00 O ATOM 949 CB VAL A 61 -1.301 -9.549 -18.073 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.614 -8.902 -16.722 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.084 -10.857 -18.227 1.00 0.00 C ATOM 0 H VAL A 61 -0.040 -9.257 -20.379 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.737 -8.564 -19.311 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.229 -9.745 -18.094 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.353 -9.591 -15.919 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.035 -7.984 -16.615 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.677 -8.669 -16.668 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.845 -11.524 -17.399 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.153 -10.644 -18.224 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.812 -11.335 -19.168 1.00 0.00 H new ATOM 961 N SER A 62 -2.012 -6.207 -19.144 1.00 0.00 N ATOM 962 CA SER A 62 -1.707 -4.807 -18.891 1.00 0.00 C ATOM 963 C SER A 62 -1.524 -4.559 -17.400 1.00 0.00 C ATOM 964 O SER A 62 -1.903 -5.390 -16.578 1.00 0.00 O ATOM 965 CB SER A 62 -2.831 -3.947 -19.475 1.00 0.00 C ATOM 966 OG SER A 62 -4.020 -4.128 -18.722 1.00 0.00 O ATOM 0 H SER A 62 -2.988 -6.365 -19.395 1.00 0.00 H new ATOM 0 HA SER A 62 -0.768 -4.536 -19.374 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.540 -2.897 -19.464 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.005 -4.219 -20.516 1.00 0.00 H new ATOM 0 HG SER A 62 -4.734 -3.574 -19.100 1.00 0.00 H new ATOM 972 N PHE A 63 -0.975 -3.395 -17.044 1.00 0.00 N ATOM 973 CA PHE A 63 -0.912 -2.967 -15.653 1.00 0.00 C ATOM 974 C PHE A 63 -2.304 -3.022 -15.021 1.00 0.00 C ATOM 975 O PHE A 63 -2.473 -3.489 -13.898 1.00 0.00 O ATOM 976 CB PHE A 63 -0.336 -1.550 -15.550 1.00 0.00 C ATOM 977 CG PHE A 63 -0.379 -1.000 -14.138 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.221 -1.727 -13.093 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.182 0.117 -13.839 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.027 -1.334 -11.759 1.00 0.00 C ATOM 981 CE2 PHE A 63 -1.349 0.529 -12.506 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.734 -0.189 -11.466 1.00 0.00 C ATOM 0 H PHE A 63 -0.568 -2.734 -17.705 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.253 -3.646 -15.111 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.696 -1.556 -15.902 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.894 -0.887 -16.211 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.832 -2.589 -13.318 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.671 0.658 -14.636 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.463 -1.912 -10.957 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.950 1.398 -12.281 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.846 0.139 -10.443 1.00 0.00 H new ATOM 992 N GLU A 64 -3.309 -2.547 -15.756 1.00 0.00 N ATOM 993 CA GLU A 64 -4.672 -2.464 -15.268 1.00 0.00 C ATOM 994 C GLU A 64 -5.209 -3.869 -14.996 1.00 0.00 C ATOM 995 O GLU A 64 -5.778 -4.119 -13.937 1.00 0.00 O ATOM 996 CB GLU A 64 -5.551 -1.708 -16.276 1.00 0.00 C ATOM 997 CG GLU A 64 -5.161 -0.227 -16.448 1.00 0.00 C ATOM 998 CD GLU A 64 -3.805 0.002 -17.119 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.411 -0.858 -17.938 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.170 1.023 -16.780 1.00 0.00 O ATOM 0 H GLU A 64 -3.193 -2.209 -16.711 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.691 -1.907 -14.331 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.489 -2.206 -17.244 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.591 -1.766 -15.954 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.931 0.272 -17.036 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.151 0.249 -15.467 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.011 -4.798 -15.937 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.405 -6.183 -15.714 1.00 0.00 C ATOM 1009 C GLU A 65 -4.639 -6.750 -14.513 1.00 0.00 C ATOM 1010 O GLU A 65 -5.221 -7.349 -13.610 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.162 -6.988 -16.993 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.146 -6.554 -18.087 1.00 0.00 C ATOM 1013 CD GLU A 65 -5.794 -7.161 -19.439 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -4.642 -6.948 -19.875 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.690 -7.818 -20.012 1.00 0.00 O ATOM 0 H GLU A 65 -4.586 -4.615 -16.846 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.468 -6.246 -15.479 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.138 -6.840 -17.335 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.279 -8.052 -16.789 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.156 -6.853 -17.807 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.145 -5.467 -18.166 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.326 -6.525 -14.482 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.455 -6.956 -13.399 1.00 0.00 C ATOM 1024 C PHE A 66 -2.965 -6.455 -12.047 1.00 0.00 C ATOM 1025 O PHE A 66 -2.951 -7.189 -11.065 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.024 -6.487 -13.661 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.009 -7.121 -12.739 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.469 -8.416 -13.012 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.508 -6.397 -11.651 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.460 -8.984 -12.197 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.536 -6.950 -10.871 1.00 0.00 C ATOM 1032 CZ PHE A 66 2.002 -8.247 -11.132 1.00 0.00 C ATOM 0 H PHE A 66 -2.833 -6.029 -15.224 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.460 -8.045 -13.362 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.758 -6.714 -14.693 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.978 -5.404 -13.550 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.073 -8.973 -13.849 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.116 -5.419 -11.416 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.806 -9.989 -12.389 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.970 -6.374 -10.067 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.776 -8.678 -10.515 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.460 -5.221 -11.984 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.029 -4.662 -10.768 1.00 0.00 C ATOM 1044 C GLN A 67 -5.169 -5.532 -10.216 1.00 0.00 C ATOM 1045 O GLN A 67 -5.390 -5.546 -9.007 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.477 -3.217 -11.039 1.00 0.00 C ATOM 1047 CG GLN A 67 -4.687 -2.390 -9.764 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.442 -2.307 -8.882 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -3.525 -2.440 -7.666 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -2.276 -2.091 -9.483 1.00 0.00 N ATOM 0 H GLN A 67 -3.476 -4.582 -12.779 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.265 -4.650 -9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.731 -2.725 -11.662 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.406 -3.234 -11.608 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.995 -1.382 -10.041 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.503 -2.826 -9.188 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.237 -1.984 -10.497 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.421 -2.032 -8.930 1.00 0.00 H new ATOM 1059 N VAL A 68 -5.878 -6.290 -11.062 1.00 0.00 N ATOM 1060 CA VAL A 68 -6.830 -7.281 -10.571 1.00 0.00 C ATOM 1061 C VAL A 68 -6.067 -8.399 -9.850 1.00 0.00 C ATOM 1062 O VAL A 68 -6.420 -8.776 -8.736 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.723 -7.823 -11.702 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -8.824 -8.718 -11.114 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.386 -6.682 -12.487 1.00 0.00 C ATOM 0 H VAL A 68 -5.809 -6.234 -12.078 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.505 -6.805 -9.859 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.088 -8.395 -12.379 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.452 -9.098 -11.919 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.369 -9.554 -10.583 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.434 -8.138 -10.421 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.009 -7.099 -13.278 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.003 -6.088 -11.813 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.616 -6.048 -12.928 1.00 0.00 H new ATOM 1075 N LEU A 69 -4.991 -8.908 -10.459 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.108 -9.896 -9.841 1.00 0.00 C ATOM 1077 C LEU A 69 -3.601 -9.370 -8.491 1.00 0.00 C ATOM 1078 O LEU A 69 -3.587 -10.101 -7.502 1.00 0.00 O ATOM 1079 CB LEU A 69 -2.978 -10.264 -10.824 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.233 -11.592 -10.589 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -1.323 -11.554 -9.360 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -3.167 -12.807 -10.529 1.00 0.00 C ATOM 0 H LEU A 69 -4.708 -8.642 -11.402 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.650 -10.817 -9.628 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.401 -10.289 -11.828 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.243 -9.459 -10.808 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.599 -11.712 -11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.825 -12.517 -9.246 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.575 -10.771 -9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.920 -11.347 -8.472 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.579 -13.710 -10.362 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.878 -12.680 -9.712 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.709 -12.896 -11.471 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.260 -8.080 -8.408 1.00 0.00 N ATOM 1095 CA VAL A 70 -2.873 -7.451 -7.147 1.00 0.00 C ATOM 1096 C VAL A 70 -3.943 -7.637 -6.051 1.00 0.00 C ATOM 1097 O VAL A 70 -3.610 -7.709 -4.871 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.452 -5.981 -7.350 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.066 -5.305 -6.027 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.242 -5.881 -8.290 1.00 0.00 C ATOM 0 H VAL A 70 -3.245 -7.448 -9.209 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.988 -7.970 -6.780 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.317 -5.476 -7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.776 -4.272 -6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.917 -5.324 -5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.230 -5.839 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.965 -4.834 -8.417 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.403 -6.429 -7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.498 -6.308 -9.259 1.00 0.00 H new