USER MOD reduce.3.24.130724 H: found=0, std=0, add=211, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 215 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 152 SER OG : rot -33:sc= 0.232 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 GLN : amide:sc= -0.946 K(o=-0.95,f=-0.39) USER MOD Single : A 181 GLN : amide:sc=-0.00214 K(o=-0.0021,f=-1.4!) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 -13.774 8.260 10.693 1.00 0.00 N ATOM 2 CA GLY A 149 -13.268 8.423 9.336 1.00 0.00 C ATOM 3 C GLY A 149 -12.494 7.209 8.916 1.00 0.00 C ATOM 4 O GLY A 149 -12.009 6.478 9.784 1.00 0.00 O ATOM 0 HA2 GLY A 149 -14.098 8.588 8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -12.630 9.305 9.283 1.00 0.00 H new ATOM 10 N PRO A 150 -12.340 6.966 7.589 1.00 0.00 N ATOM 11 CA PRO A 150 -11.695 5.761 7.062 1.00 0.00 C ATOM 12 C PRO A 150 -10.299 5.530 7.606 1.00 0.00 C ATOM 13 O PRO A 150 -9.363 6.260 7.287 1.00 0.00 O ATOM 14 CB PRO A 150 -11.642 5.999 5.554 1.00 0.00 C ATOM 15 CG PRO A 150 -12.722 6.975 5.289 1.00 0.00 C ATOM 16 CD PRO A 150 -12.779 7.857 6.498 1.00 0.00 C ATOM 0 HA PRO A 150 -12.251 4.869 7.352 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -10.671 6.390 5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -11.801 5.073 5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -12.513 7.556 4.391 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -13.675 6.470 5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -12.123 8.722 6.396 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -13.785 8.239 6.671 1.00 0.00 H new ATOM 24 N GLY A 151 -10.183 4.545 8.452 1.00 0.00 N ATOM 25 CA GLY A 151 -8.916 4.168 8.989 1.00 0.00 C ATOM 26 C GLY A 151 -8.288 3.159 8.080 1.00 0.00 C ATOM 27 O GLY A 151 -7.078 3.188 7.830 1.00 0.00 O ATOM 0 H GLY A 151 -10.967 3.984 8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -8.272 5.042 9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -9.039 3.751 9.989 1.00 0.00 H new ATOM 31 N SER A 152 -9.110 2.256 7.602 1.00 0.00 N ATOM 32 CA SER A 152 -8.695 1.269 6.631 1.00 0.00 C ATOM 33 C SER A 152 -9.877 0.937 5.711 1.00 0.00 C ATOM 34 O SER A 152 -9.758 0.129 4.804 1.00 0.00 O ATOM 35 CB SER A 152 -8.135 0.009 7.349 1.00 0.00 C ATOM 36 OG SER A 152 -7.615 -0.972 6.443 1.00 0.00 O ATOM 0 H SER A 152 -10.090 2.184 7.876 1.00 0.00 H new ATOM 0 HA SER A 152 -7.889 1.667 6.014 1.00 0.00 H new ATOM 0 HB2 SER A 152 -7.347 0.312 8.038 1.00 0.00 H new ATOM 0 HB3 SER A 152 -8.926 -0.442 7.948 1.00 0.00 H new ATOM 0 HG SER A 152 -8.139 -0.963 5.615 1.00 0.00 H new ATOM 42 N GLU A 153 -10.994 1.618 5.933 1.00 0.00 N ATOM 43 CA GLU A 153 -12.220 1.415 5.188 1.00 0.00 C ATOM 44 C GLU A 153 -12.033 1.601 3.684 1.00 0.00 C ATOM 45 O GLU A 153 -12.503 0.778 2.897 1.00 0.00 O ATOM 46 CB GLU A 153 -13.378 2.332 5.678 1.00 0.00 C ATOM 47 CG GLU A 153 -13.833 2.140 7.129 1.00 0.00 C ATOM 48 CD GLU A 153 -12.938 2.790 8.159 1.00 0.00 C ATOM 49 OE1 GLU A 153 -11.794 2.357 8.335 1.00 0.00 O ATOM 50 OE2 GLU A 153 -13.353 3.778 8.796 1.00 0.00 O ATOM 0 H GLU A 153 -11.070 2.339 6.650 1.00 0.00 H new ATOM 0 HA GLU A 153 -12.494 0.377 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -13.069 3.370 5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -14.238 2.174 5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -14.840 2.542 7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -13.892 1.072 7.340 1.00 0.00 H new ATOM 57 N ASP A 154 -11.286 2.615 3.286 1.00 0.00 N ATOM 58 CA ASP A 154 -11.201 2.934 1.851 1.00 0.00 C ATOM 59 C ASP A 154 -10.040 2.230 1.195 1.00 0.00 C ATOM 60 O ASP A 154 -9.978 2.122 -0.029 1.00 0.00 O ATOM 61 CB ASP A 154 -11.158 4.455 1.559 1.00 0.00 C ATOM 62 CG ASP A 154 -9.863 5.140 1.943 1.00 0.00 C ATOM 63 OD1 ASP A 154 -9.692 5.490 3.127 1.00 0.00 O ATOM 64 OD2 ASP A 154 -9.018 5.382 1.055 1.00 0.00 O ATOM 0 H ASP A 154 -10.743 3.220 3.902 1.00 0.00 H new ATOM 0 HA ASP A 154 -12.126 2.561 1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -11.333 4.611 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -11.979 4.936 2.091 1.00 0.00 H new ATOM 69 N ASP A 155 -9.131 1.730 2.005 1.00 0.00 N ATOM 70 CA ASP A 155 -7.980 0.995 1.491 1.00 0.00 C ATOM 71 C ASP A 155 -8.273 -0.482 1.435 1.00 0.00 C ATOM 72 O ASP A 155 -7.619 -1.238 0.704 1.00 0.00 O ATOM 73 CB ASP A 155 -6.719 1.249 2.316 1.00 0.00 C ATOM 74 CG ASP A 155 -6.208 2.658 2.192 1.00 0.00 C ATOM 75 OD1 ASP A 155 -5.653 3.007 1.132 1.00 0.00 O ATOM 76 OD2 ASP A 155 -6.318 3.440 3.162 1.00 0.00 O ATOM 0 H ASP A 155 -9.161 1.815 3.021 1.00 0.00 H new ATOM 0 HA ASP A 155 -7.793 1.361 0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -6.928 1.036 3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -5.939 0.557 1.999 1.00 0.00 H new ATOM 81 N ASP A 156 -9.254 -0.891 2.212 1.00 0.00 N ATOM 82 CA ASP A 156 -9.712 -2.281 2.271 1.00 0.00 C ATOM 83 C ASP A 156 -10.444 -2.629 0.994 1.00 0.00 C ATOM 84 O ASP A 156 -10.309 -3.725 0.446 1.00 0.00 O ATOM 85 CB ASP A 156 -10.643 -2.455 3.476 1.00 0.00 C ATOM 86 CG ASP A 156 -11.159 -3.856 3.657 1.00 0.00 C ATOM 87 OD1 ASP A 156 -10.482 -4.675 4.304 1.00 0.00 O ATOM 88 OD2 ASP A 156 -12.258 -4.160 3.181 1.00 0.00 O ATOM 0 H ASP A 156 -9.769 -0.266 2.832 1.00 0.00 H new ATOM 0 HA ASP A 156 -8.856 -2.947 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -10.111 -2.156 4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -11.491 -1.778 3.367 1.00 0.00 H new ATOM 93 N ILE A 157 -11.174 -1.666 0.513 1.00 0.00 N ATOM 94 CA ILE A 157 -11.957 -1.792 -0.694 1.00 0.00 C ATOM 95 C ILE A 157 -11.117 -1.284 -1.849 1.00 0.00 C ATOM 96 O ILE A 157 -10.346 -0.338 -1.683 1.00 0.00 O ATOM 97 CB ILE A 157 -13.249 -0.915 -0.609 1.00 0.00 C ATOM 98 CG1 ILE A 157 -14.028 -1.207 0.675 1.00 0.00 C ATOM 99 CG2 ILE A 157 -14.150 -1.112 -1.834 1.00 0.00 C ATOM 100 CD1 ILE A 157 -14.476 -2.641 0.833 1.00 0.00 C ATOM 0 H ILE A 157 -11.247 -0.749 0.954 1.00 0.00 H new ATOM 0 HA ILE A 157 -12.244 -2.835 -0.830 1.00 0.00 H new ATOM 0 HB ILE A 157 -12.929 0.127 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -13.406 -0.939 1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -14.906 -0.562 0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -15.037 -0.486 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -13.605 -0.832 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -14.450 -2.158 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -15.019 -2.751 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -15.128 -2.912 0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -13.605 -3.296 0.839 1.00 0.00 H new ATOM 112 N ASP A 158 -11.226 -1.903 -2.990 1.00 0.00 N ATOM 113 CA ASP A 158 -10.513 -1.422 -4.151 1.00 0.00 C ATOM 114 C ASP A 158 -11.495 -0.610 -4.962 1.00 0.00 C ATOM 115 O ASP A 158 -12.664 -0.995 -5.080 1.00 0.00 O ATOM 116 CB ASP A 158 -9.964 -2.571 -4.991 1.00 0.00 C ATOM 117 CG ASP A 158 -8.917 -2.114 -5.990 1.00 0.00 C ATOM 118 OD1 ASP A 158 -9.235 -1.358 -6.913 1.00 0.00 O ATOM 119 OD2 ASP A 158 -7.739 -2.505 -5.835 1.00 0.00 O ATOM 0 H ASP A 158 -11.795 -2.735 -3.146 1.00 0.00 H new ATOM 0 HA ASP A 158 -9.657 -0.823 -3.841 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -9.529 -3.322 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -10.785 -3.051 -5.524 1.00 0.00 H new ATOM 124 N LEU A 159 -11.063 0.508 -5.484 1.00 0.00 N ATOM 125 CA LEU A 159 -11.952 1.388 -6.218 1.00 0.00 C ATOM 126 C LEU A 159 -11.965 1.030 -7.710 1.00 0.00 C ATOM 127 O LEU A 159 -12.950 1.271 -8.421 1.00 0.00 O ATOM 128 CB LEU A 159 -11.514 2.838 -6.018 1.00 0.00 C ATOM 129 CG LEU A 159 -12.407 3.910 -6.630 1.00 0.00 C ATOM 130 CD1 LEU A 159 -13.772 3.938 -5.957 1.00 0.00 C ATOM 131 CD2 LEU A 159 -11.736 5.261 -6.546 1.00 0.00 C ATOM 0 H LEU A 159 -10.100 0.837 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 159 -12.966 1.264 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -11.440 3.027 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.512 2.952 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.563 3.666 -7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -14.387 4.713 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -14.258 2.970 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -13.650 4.152 -4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.385 6.018 -6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -11.547 5.509 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -10.791 5.232 -7.089 1.00 0.00 H new ATOM 143 N PHE A 160 -10.898 0.433 -8.152 1.00 0.00 N ATOM 144 CA PHE A 160 -10.733 0.070 -9.539 1.00 0.00 C ATOM 145 C PHE A 160 -11.278 -1.321 -9.768 1.00 0.00 C ATOM 146 O PHE A 160 -11.978 -1.577 -10.749 1.00 0.00 O ATOM 147 CB PHE A 160 -9.241 0.141 -9.917 1.00 0.00 C ATOM 148 CG PHE A 160 -8.908 -0.390 -11.281 1.00 0.00 C ATOM 149 CD1 PHE A 160 -9.234 0.325 -12.417 1.00 0.00 C ATOM 150 CD2 PHE A 160 -8.260 -1.609 -11.422 1.00 0.00 C ATOM 151 CE1 PHE A 160 -8.922 -0.166 -13.666 1.00 0.00 C ATOM 152 CE2 PHE A 160 -7.947 -2.103 -12.667 1.00 0.00 C ATOM 153 CZ PHE A 160 -8.278 -1.381 -13.791 1.00 0.00 C ATOM 0 H PHE A 160 -10.107 0.180 -7.559 1.00 0.00 H new ATOM 0 HA PHE A 160 -11.285 0.767 -10.170 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -8.915 1.180 -9.858 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -8.667 -0.416 -9.176 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -9.737 1.276 -12.325 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -7.998 -2.178 -10.542 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -9.181 0.400 -14.548 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -7.443 -3.054 -12.762 1.00 0.00 H new ATOM 0 HZ PHE A 160 -8.034 -1.765 -14.771 1.00 0.00 H new ATOM 237 N GLU A 167 -10.452 -10.752 -5.018 1.00 0.00 N ATOM 238 CA GLU A 167 -9.220 -10.598 -5.768 1.00 0.00 C ATOM 239 C GLU A 167 -8.034 -11.088 -4.902 1.00 0.00 C ATOM 240 O GLU A 167 -6.876 -10.674 -5.087 1.00 0.00 O ATOM 241 CB GLU A 167 -9.033 -9.142 -6.063 1.00 0.00 C ATOM 242 CG GLU A 167 -8.161 -8.886 -7.268 1.00 0.00 C ATOM 243 CD GLU A 167 -8.862 -9.200 -8.573 1.00 0.00 C ATOM 244 OE1 GLU A 167 -9.646 -8.343 -9.071 1.00 0.00 O ATOM 245 OE2 GLU A 167 -8.632 -10.276 -9.144 1.00 0.00 O ATOM 0 HA GLU A 167 -9.264 -11.175 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -10.008 -8.683 -6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -8.591 -8.656 -5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -7.848 -7.842 -7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -7.256 -9.489 -7.192 1.00 0.00 H new ATOM 252 N ASP A 168 -8.347 -11.982 -3.980 1.00 0.00 N ATOM 253 CA ASP A 168 -7.393 -12.610 -3.021 1.00 0.00 C ATOM 254 C ASP A 168 -6.182 -13.170 -3.733 1.00 0.00 C ATOM 255 O ASP A 168 -5.074 -13.166 -3.193 1.00 0.00 O ATOM 256 CB ASP A 168 -8.079 -13.710 -2.209 1.00 0.00 C ATOM 257 CG ASP A 168 -7.133 -14.434 -1.263 1.00 0.00 C ATOM 258 OD1 ASP A 168 -6.654 -13.818 -0.288 1.00 0.00 O ATOM 259 OD2 ASP A 168 -6.858 -15.632 -1.479 1.00 0.00 O ATOM 0 H ASP A 168 -9.302 -12.317 -3.857 1.00 0.00 H new ATOM 0 HA ASP A 168 -7.057 -11.829 -2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -8.894 -13.273 -1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -8.524 -14.434 -2.892 1.00 0.00 H new ATOM 264 N LYS A 169 -6.408 -13.618 -4.966 1.00 0.00 N ATOM 265 CA LYS A 169 -5.351 -14.055 -5.853 1.00 0.00 C ATOM 266 C LYS A 169 -4.204 -13.026 -5.878 1.00 0.00 C ATOM 267 O LYS A 169 -3.072 -13.361 -5.576 1.00 0.00 O ATOM 268 CB LYS A 169 -5.887 -14.292 -7.282 1.00 0.00 C ATOM 269 CG LYS A 169 -6.776 -13.158 -7.805 1.00 0.00 C ATOM 270 CD LYS A 169 -6.878 -13.106 -9.315 1.00 0.00 C ATOM 271 CE LYS A 169 -5.516 -12.943 -9.999 1.00 0.00 C ATOM 272 NZ LYS A 169 -5.643 -12.842 -11.468 1.00 0.00 N ATOM 0 H LYS A 169 -7.340 -13.686 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 169 -4.965 -15.001 -5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -5.043 -14.422 -7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.454 -15.223 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -7.776 -13.271 -7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -6.385 -12.207 -7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -7.352 -14.019 -9.674 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -7.525 -12.277 -9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -5.022 -12.050 -9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -4.880 -13.792 -9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -4.699 -12.733 -11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -6.091 -13.705 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -6.228 -12.017 -11.710 1.00 0.00 H new ATOM 286 N GLU A 170 -4.516 -11.756 -6.151 1.00 0.00 N ATOM 287 CA GLU A 170 -3.489 -10.756 -6.202 1.00 0.00 C ATOM 288 C GLU A 170 -3.121 -10.247 -4.863 1.00 0.00 C ATOM 289 O GLU A 170 -2.035 -9.738 -4.699 1.00 0.00 O ATOM 290 CB GLU A 170 -3.763 -9.623 -7.157 1.00 0.00 C ATOM 291 CG GLU A 170 -2.925 -9.723 -8.408 1.00 0.00 C ATOM 292 CD GLU A 170 -3.272 -8.693 -9.440 1.00 0.00 C ATOM 293 OE1 GLU A 170 -4.329 -8.813 -10.077 1.00 0.00 O ATOM 294 OE2 GLU A 170 -2.496 -7.733 -9.621 1.00 0.00 O ATOM 0 H GLU A 170 -5.460 -11.417 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 170 -2.628 -11.285 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -4.819 -9.624 -7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -3.562 -8.674 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -1.873 -9.620 -8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -3.048 -10.716 -8.841 1.00 0.00 H new ATOM 301 N ALA A 171 -4.006 -10.395 -3.896 1.00 0.00 N ATOM 302 CA ALA A 171 -3.678 -10.008 -2.540 1.00 0.00 C ATOM 303 C ALA A 171 -2.460 -10.807 -2.101 1.00 0.00 C ATOM 304 O ALA A 171 -1.519 -10.260 -1.538 1.00 0.00 O ATOM 305 CB ALA A 171 -4.854 -10.232 -1.607 1.00 0.00 C ATOM 0 H ALA A 171 -4.944 -10.775 -4.022 1.00 0.00 H new ATOM 0 HA ALA A 171 -3.450 -8.943 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -4.578 -9.933 -0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -5.703 -9.637 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -5.126 -11.288 -1.611 1.00 0.00 H new ATOM 311 N ALA A 172 -2.464 -12.086 -2.456 1.00 0.00 N ATOM 312 CA ALA A 172 -1.361 -12.978 -2.216 1.00 0.00 C ATOM 313 C ALA A 172 -0.219 -12.728 -3.203 1.00 0.00 C ATOM 314 O ALA A 172 0.922 -12.576 -2.779 1.00 0.00 O ATOM 315 CB ALA A 172 -1.826 -14.416 -2.298 1.00 0.00 C ATOM 0 H ALA A 172 -3.253 -12.530 -2.926 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.982 -12.785 -1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.983 -15.082 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -2.597 -14.592 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -2.233 -14.611 -3.290 1.00 0.00 H new ATOM 321 N GLN A 173 -0.531 -12.670 -4.523 1.00 0.00 N ATOM 322 CA GLN A 173 0.483 -12.450 -5.565 1.00 0.00 C ATOM 323 C GLN A 173 1.301 -11.221 -5.308 1.00 0.00 C ATOM 324 O GLN A 173 2.495 -11.316 -5.161 1.00 0.00 O ATOM 325 CB GLN A 173 -0.133 -12.332 -6.935 1.00 0.00 C ATOM 326 CG GLN A 173 -0.755 -13.598 -7.464 1.00 0.00 C ATOM 327 CD GLN A 173 -1.431 -13.394 -8.798 1.00 0.00 C ATOM 328 OE1 GLN A 173 -2.423 -14.049 -9.104 1.00 0.00 O ATOM 329 NE2 GLN A 173 -0.903 -12.513 -9.610 1.00 0.00 N ATOM 0 H GLN A 173 -1.480 -12.774 -4.883 1.00 0.00 H new ATOM 0 HA GLN A 173 1.130 -13.327 -5.531 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -0.896 -11.554 -6.908 1.00 0.00 H new ATOM 0 HB3 GLN A 173 0.635 -12.002 -7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 173 0.015 -14.364 -7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -1.484 -13.970 -6.744 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -0.078 -11.986 -9.324 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -1.317 -12.354 -10.529 1.00 0.00 H new ATOM 338 N LEU A 174 0.645 -10.072 -5.232 1.00 0.00 N ATOM 339 CA LEU A 174 1.332 -8.799 -4.985 1.00 0.00 C ATOM 340 C LEU A 174 2.166 -8.880 -3.721 1.00 0.00 C ATOM 341 O LEU A 174 3.336 -8.533 -3.724 1.00 0.00 O ATOM 342 CB LEU A 174 0.321 -7.676 -4.868 1.00 0.00 C ATOM 343 CG LEU A 174 -0.572 -7.479 -6.089 1.00 0.00 C ATOM 344 CD1 LEU A 174 -1.638 -6.435 -5.800 1.00 0.00 C ATOM 345 CD2 LEU A 174 0.253 -7.068 -7.299 1.00 0.00 C ATOM 0 H LEU A 174 -0.366 -9.989 -5.337 1.00 0.00 H new ATOM 0 HA LEU A 174 1.995 -8.595 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -0.312 -7.867 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.855 -6.746 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.060 -8.427 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.268 -6.305 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -2.251 -6.763 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -1.161 -5.487 -5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -0.404 -6.933 -8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 174 0.769 -6.132 -7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.985 -7.844 -7.521 1.00 0.00 H new ATOM 357 N ARG A 175 1.547 -9.373 -2.670 1.00 0.00 N ATOM 358 CA ARG A 175 2.206 -9.610 -1.373 1.00 0.00 C ATOM 359 C ARG A 175 3.546 -10.364 -1.539 1.00 0.00 C ATOM 360 O ARG A 175 4.624 -9.820 -1.239 1.00 0.00 O ATOM 361 CB ARG A 175 1.237 -10.415 -0.492 1.00 0.00 C ATOM 362 CG ARG A 175 1.793 -11.047 0.771 1.00 0.00 C ATOM 363 CD ARG A 175 0.705 -11.895 1.403 1.00 0.00 C ATOM 364 NE ARG A 175 1.158 -12.685 2.545 1.00 0.00 N ATOM 365 CZ ARG A 175 0.356 -13.140 3.522 1.00 0.00 C ATOM 366 NH1 ARG A 175 -0.895 -12.705 3.625 1.00 0.00 N ATOM 367 NH2 ARG A 175 0.828 -13.991 4.412 1.00 0.00 N ATOM 0 H ARG A 175 0.560 -9.629 -2.677 1.00 0.00 H new ATOM 0 HA ARG A 175 2.443 -8.654 -0.907 1.00 0.00 H new ATOM 0 HB2 ARG A 175 0.418 -9.756 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 175 0.808 -11.209 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 175 2.663 -11.660 0.537 1.00 0.00 H new ATOM 0 HG3 ARG A 175 2.124 -10.276 1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.109 -11.244 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 175 0.297 -12.567 0.648 1.00 0.00 H new ATOM 0 HE ARG A 175 2.152 -12.906 2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -1.253 -12.020 2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -1.497 -13.056 4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 175 1.798 -14.301 4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 175 0.223 -14.339 5.156 1.00 0.00 H new ATOM 381 N GLU A 176 3.480 -11.558 -2.082 1.00 0.00 N ATOM 382 CA GLU A 176 4.649 -12.399 -2.200 1.00 0.00 C ATOM 383 C GLU A 176 5.614 -11.913 -3.294 1.00 0.00 C ATOM 384 O GLU A 176 6.825 -11.976 -3.141 1.00 0.00 O ATOM 385 CB GLU A 176 4.246 -13.855 -2.418 1.00 0.00 C ATOM 386 CG GLU A 176 3.465 -14.109 -3.685 1.00 0.00 C ATOM 387 CD GLU A 176 3.284 -15.563 -3.978 1.00 0.00 C ATOM 388 OE1 GLU A 176 2.417 -16.223 -3.370 1.00 0.00 O ATOM 389 OE2 GLU A 176 3.982 -16.071 -4.871 1.00 0.00 O ATOM 0 H GLU A 176 2.623 -11.971 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 176 5.192 -12.331 -1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 176 5.146 -14.469 -2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.650 -14.184 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 176 2.486 -13.636 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 176 3.978 -13.636 -4.522 1.00 0.00 H new ATOM 396 N GLU A 177 5.084 -11.400 -4.367 1.00 0.00 N ATOM 397 CA GLU A 177 5.919 -10.941 -5.461 1.00 0.00 C ATOM 398 C GLU A 177 6.686 -9.675 -5.129 1.00 0.00 C ATOM 399 O GLU A 177 7.849 -9.562 -5.491 1.00 0.00 O ATOM 400 CB GLU A 177 5.156 -10.815 -6.767 1.00 0.00 C ATOM 401 CG GLU A 177 4.709 -12.151 -7.325 1.00 0.00 C ATOM 402 CD GLU A 177 3.958 -12.013 -8.609 1.00 0.00 C ATOM 403 OE1 GLU A 177 4.589 -11.752 -9.658 1.00 0.00 O ATOM 404 OE2 GLU A 177 2.730 -12.172 -8.615 1.00 0.00 O ATOM 0 H GLU A 177 4.082 -11.285 -4.516 1.00 0.00 H new ATOM 0 HA GLU A 177 6.664 -11.723 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.282 -10.182 -6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.786 -10.313 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 177 5.581 -12.785 -7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 177 4.079 -12.655 -6.592 1.00 0.00 H new ATOM 411 N ARG A 178 6.070 -8.741 -4.411 1.00 0.00 N ATOM 412 CA ARG A 178 6.779 -7.517 -4.030 1.00 0.00 C ATOM 413 C ARG A 178 7.955 -7.851 -3.115 1.00 0.00 C ATOM 414 O ARG A 178 9.025 -7.244 -3.213 1.00 0.00 O ATOM 415 CB ARG A 178 5.845 -6.474 -3.387 1.00 0.00 C ATOM 416 CG ARG A 178 4.779 -5.936 -4.335 1.00 0.00 C ATOM 417 CD ARG A 178 3.830 -4.944 -3.655 1.00 0.00 C ATOM 418 NE ARG A 178 4.489 -3.683 -3.261 1.00 0.00 N ATOM 419 CZ ARG A 178 3.850 -2.599 -2.762 1.00 0.00 C ATOM 420 NH1 ARG A 178 2.544 -2.651 -2.489 1.00 0.00 N ATOM 421 NH2 ARG A 178 4.527 -1.479 -2.511 1.00 0.00 N ATOM 0 H ARG A 178 5.105 -8.801 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 178 7.165 -7.062 -4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 178 5.356 -6.922 -2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.444 -5.641 -3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 178 5.263 -5.448 -5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 178 4.201 -6.769 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 178 3.005 -4.719 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 178 3.399 -5.412 -2.770 1.00 0.00 H new ATOM 0 HE ARG A 178 5.501 -3.624 -3.373 1.00 0.00 H new ATOM 0 HH11 ARG A 178 2.022 -3.511 -2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 178 2.068 -1.831 -2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 178 5.529 -1.437 -2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 178 4.043 -0.664 -2.135 1.00 0.00 H new ATOM 435 N LEU A 179 7.781 -8.865 -2.264 1.00 0.00 N ATOM 436 CA LEU A 179 8.870 -9.302 -1.412 1.00 0.00 C ATOM 437 C LEU A 179 9.889 -10.161 -2.188 1.00 0.00 C ATOM 438 O LEU A 179 11.043 -10.302 -1.766 1.00 0.00 O ATOM 439 CB LEU A 179 8.379 -9.934 -0.070 1.00 0.00 C ATOM 440 CG LEU A 179 7.492 -11.195 -0.113 1.00 0.00 C ATOM 441 CD1 LEU A 179 8.296 -12.452 -0.405 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.712 -11.343 1.181 1.00 0.00 C ATOM 0 H LEU A 179 6.911 -9.385 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 179 9.416 -8.412 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 179 9.262 -10.174 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 179 7.830 -9.165 0.473 1.00 0.00 H new ATOM 0 HG LEU A 179 6.787 -11.068 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.629 -13.314 -0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 179 8.789 -12.352 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 179 9.047 -12.593 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 179 6.092 -12.238 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.407 -11.428 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 179 6.077 -10.469 1.325 1.00 0.00 H new ATOM 454 N ARG A 180 9.462 -10.742 -3.315 1.00 0.00 N ATOM 455 CA ARG A 180 10.391 -11.437 -4.201 1.00 0.00 C ATOM 456 C ARG A 180 11.271 -10.455 -4.915 1.00 0.00 C ATOM 457 O ARG A 180 12.485 -10.552 -4.825 1.00 0.00 O ATOM 458 CB ARG A 180 9.727 -12.337 -5.239 1.00 0.00 C ATOM 459 CG ARG A 180 9.273 -13.682 -4.737 1.00 0.00 C ATOM 460 CD ARG A 180 8.984 -14.615 -5.907 1.00 0.00 C ATOM 461 NE ARG A 180 10.182 -14.813 -6.767 1.00 0.00 N ATOM 462 CZ ARG A 180 10.419 -15.878 -7.549 1.00 0.00 C ATOM 463 NH1 ARG A 180 9.551 -16.884 -7.601 1.00 0.00 N ATOM 464 NH2 ARG A 180 11.539 -15.934 -8.270 1.00 0.00 N ATOM 0 H ARG A 180 8.491 -10.743 -3.629 1.00 0.00 H new ATOM 0 HA ARG A 180 10.971 -12.085 -3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 180 8.865 -11.812 -5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 180 10.427 -12.493 -6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 180 10.041 -14.117 -4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 180 8.378 -13.566 -4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 180 8.646 -15.579 -5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 180 8.171 -14.205 -6.506 1.00 0.00 H new ATOM 0 HE ARG A 180 10.885 -14.074 -6.762 1.00 0.00 H new ATOM 0 HH11 ARG A 180 8.697 -16.850 -7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 180 9.739 -17.689 -8.198 1.00 0.00 H new ATOM 0 HH21 ARG A 180 12.212 -15.169 -8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 180 11.722 -16.742 -8.865 1.00 0.00 H new ATOM 478 N GLN A 181 10.657 -9.485 -5.612 1.00 0.00 N ATOM 479 CA GLN A 181 11.425 -8.484 -6.351 1.00 0.00 C ATOM 480 C GLN A 181 12.373 -7.740 -5.439 1.00 0.00 C ATOM 481 O GLN A 181 13.501 -7.461 -5.820 1.00 0.00 O ATOM 482 CB GLN A 181 10.563 -7.501 -7.162 1.00 0.00 C ATOM 483 CG GLN A 181 10.007 -8.029 -8.485 1.00 0.00 C ATOM 484 CD GLN A 181 8.854 -8.997 -8.351 1.00 0.00 C ATOM 485 OE1 GLN A 181 7.686 -8.590 -8.337 1.00 0.00 O ATOM 486 NE2 GLN A 181 9.145 -10.264 -8.300 1.00 0.00 N ATOM 0 H GLN A 181 9.645 -9.377 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 181 12.003 -9.047 -7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 181 9.726 -7.184 -6.540 1.00 0.00 H new ATOM 0 HB3 GLN A 181 11.159 -6.613 -7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 181 9.683 -7.182 -9.090 1.00 0.00 H new ATOM 0 HG3 GLN A 181 10.813 -8.520 -9.031 1.00 0.00 H new ATOM 0 HE21 GLN A 181 10.120 -10.564 -8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.398 -10.957 -8.247 1.00 0.00 H new ATOM 495 N TYR A 182 11.920 -7.461 -4.233 1.00 0.00 N ATOM 496 CA TYR A 182 12.752 -6.857 -3.212 1.00 0.00 C ATOM 497 C TYR A 182 14.006 -7.709 -2.969 1.00 0.00 C ATOM 498 O TYR A 182 15.105 -7.252 -3.179 1.00 0.00 O ATOM 499 CB TYR A 182 11.941 -6.682 -1.912 1.00 0.00 C ATOM 500 CG TYR A 182 12.751 -6.272 -0.700 1.00 0.00 C ATOM 501 CD1 TYR A 182 13.279 -4.992 -0.576 1.00 0.00 C ATOM 502 CD2 TYR A 182 12.996 -7.183 0.319 1.00 0.00 C ATOM 503 CE1 TYR A 182 14.025 -4.636 0.533 1.00 0.00 C ATOM 504 CE2 TYR A 182 13.736 -6.838 1.423 1.00 0.00 C ATOM 505 CZ TYR A 182 14.250 -5.568 1.529 1.00 0.00 C ATOM 506 OH TYR A 182 14.994 -5.228 2.637 1.00 0.00 O ATOM 0 H TYR A 182 10.963 -7.647 -3.933 1.00 0.00 H new ATOM 0 HA TYR A 182 13.077 -5.874 -3.552 1.00 0.00 H new ATOM 0 HB2 TYR A 182 11.167 -5.933 -2.083 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.433 -7.620 -1.690 1.00 0.00 H new ATOM 0 HD1 TYR A 182 13.104 -4.266 -1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 182 12.596 -8.183 0.242 1.00 0.00 H new ATOM 0 HE1 TYR A 182 14.428 -3.638 0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 182 13.913 -7.562 2.205 1.00 0.00 H new ATOM 0 HH TYR A 182 15.055 -5.999 3.239 1.00 0.00 H new ATOM 516 N ALA A 183 13.818 -8.954 -2.604 1.00 0.00 N ATOM 517 CA ALA A 183 14.929 -9.831 -2.273 1.00 0.00 C ATOM 518 C ALA A 183 15.836 -10.093 -3.475 1.00 0.00 C ATOM 519 O ALA A 183 17.071 -9.933 -3.389 1.00 0.00 O ATOM 520 CB ALA A 183 14.407 -11.134 -1.721 1.00 0.00 C ATOM 0 H ALA A 183 12.900 -9.391 -2.526 1.00 0.00 H new ATOM 0 HA ALA A 183 15.532 -9.327 -1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 183 15.245 -11.787 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 183 13.822 -10.940 -0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 183 13.776 -11.618 -2.467 1.00 0.00 H new