USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 459 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 146 TYR OH : rot -82:sc= 0.136 USER MOD Single : A 151 GLN : amide:sc= -2.09! C(o=-2.1!,f=-1.9!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= -1.15! C(o=-1.1!,f=-2.6!) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -0.972 USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl -177:sc= -0.682 (180deg=-0.771) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -4.12 F(o=-8.6!,f=-4.1) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.776 -3.375 -6.484 1.00 0.00 N ATOM 41 CA TYR A 146 4.421 -3.811 -6.041 1.00 0.00 C ATOM 42 C TYR A 146 3.397 -2.742 -6.425 1.00 0.00 C ATOM 43 O TYR A 146 3.735 -1.597 -6.655 1.00 0.00 O ATOM 44 CB TYR A 146 4.411 -3.993 -4.524 1.00 0.00 C ATOM 45 CG TYR A 146 5.148 -5.253 -4.152 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.844 -6.459 -4.795 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.127 -5.218 -3.152 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.521 -7.631 -4.439 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.802 -6.389 -2.794 1.00 0.00 C ATOM 50 CZ TYR A 146 6.501 -7.597 -3.437 1.00 0.00 C ATOM 51 OH TYR A 146 7.167 -8.753 -3.083 1.00 0.00 O ATOM 0 HA TYR A 146 4.169 -4.756 -6.523 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.878 -3.133 -4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.384 -4.042 -4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.087 -6.485 -5.565 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.361 -4.287 -2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.289 -8.561 -4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.556 -6.362 -2.021 1.00 0.00 H new ATOM 0 HH TYR A 146 6.621 -9.264 -2.449 1.00 0.00 H new ATOM 61 N ARG A 147 2.145 -3.103 -6.491 1.00 0.00 N ATOM 62 CA ARG A 147 1.101 -2.105 -6.855 1.00 0.00 C ATOM 63 C ARG A 147 0.712 -1.300 -5.614 1.00 0.00 C ATOM 64 O ARG A 147 -0.159 -1.686 -4.860 1.00 0.00 O ATOM 65 CB ARG A 147 -0.131 -2.831 -7.400 1.00 0.00 C ATOM 66 CG ARG A 147 0.286 -3.748 -8.552 1.00 0.00 C ATOM 67 CD ARG A 147 -0.632 -3.513 -9.752 1.00 0.00 C ATOM 68 NE ARG A 147 -0.116 -4.267 -10.929 1.00 0.00 N ATOM 69 CZ ARG A 147 -0.026 -5.568 -10.882 1.00 0.00 C ATOM 70 NH1 ARG A 147 -1.106 -6.299 -10.914 1.00 0.00 N ATOM 71 NH2 ARG A 147 1.145 -6.138 -10.805 1.00 0.00 N ATOM 0 H ARG A 147 1.800 -4.046 -6.309 1.00 0.00 H new ATOM 0 HA ARG A 147 1.492 -1.431 -7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.602 -3.414 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.869 -2.108 -7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 147 1.322 -3.552 -8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.232 -4.790 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.646 -3.836 -9.516 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.682 -2.449 -9.982 1.00 0.00 H new ATOM 0 HE ARG A 147 0.167 -3.766 -11.771 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.022 -5.854 -10.976 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -1.035 -7.316 -10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 147 1.990 -5.567 -10.782 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.216 -7.155 -10.768 1.00 0.00 H new ATOM 85 N GLY A 148 1.351 -0.182 -5.395 1.00 0.00 N ATOM 86 CA GLY A 148 1.015 0.645 -4.202 1.00 0.00 C ATOM 87 C GLY A 148 2.271 0.865 -3.356 1.00 0.00 C ATOM 88 O GLY A 148 2.256 1.594 -2.386 1.00 0.00 O ATOM 0 H GLY A 148 2.090 0.193 -5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.604 1.604 -4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.247 0.149 -3.608 1.00 0.00 H new ATOM 92 N VAL A 149 3.358 0.239 -3.715 1.00 0.00 N ATOM 93 CA VAL A 149 4.613 0.413 -2.928 1.00 0.00 C ATOM 94 C VAL A 149 5.614 1.238 -3.738 1.00 0.00 C ATOM 95 O VAL A 149 6.006 0.861 -4.824 1.00 0.00 O ATOM 96 CB VAL A 149 5.218 -0.959 -2.625 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.495 -0.788 -1.808 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.221 -1.800 -1.827 1.00 0.00 C ATOM 0 H VAL A 149 3.432 -0.385 -4.518 1.00 0.00 H new ATOM 0 HA VAL A 149 4.386 0.928 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 149 5.448 -1.461 -3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 149 6.924 -1.767 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.212 -0.194 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.263 -0.281 -0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.657 -2.776 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 149 3.987 -1.295 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.308 -1.929 -2.408 1.00 0.00 H new ATOM 108 N ARG A 150 6.034 2.358 -3.218 1.00 0.00 N ATOM 109 CA ARG A 150 7.015 3.201 -3.958 1.00 0.00 C ATOM 110 C ARG A 150 8.426 2.907 -3.443 1.00 0.00 C ATOM 111 O ARG A 150 8.726 3.108 -2.283 1.00 0.00 O ATOM 112 CB ARG A 150 6.690 4.680 -3.734 1.00 0.00 C ATOM 113 CG ARG A 150 6.804 5.434 -5.059 1.00 0.00 C ATOM 114 CD ARG A 150 6.243 6.848 -4.891 1.00 0.00 C ATOM 115 NE ARG A 150 5.033 7.007 -5.745 1.00 0.00 N ATOM 116 CZ ARG A 150 4.846 8.114 -6.411 1.00 0.00 C ATOM 117 NH1 ARG A 150 4.731 9.247 -5.773 1.00 0.00 N ATOM 118 NH2 ARG A 150 4.775 8.088 -7.714 1.00 0.00 N ATOM 0 H ARG A 150 5.741 2.726 -2.313 1.00 0.00 H new ATOM 0 HA ARG A 150 6.959 2.974 -5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 150 5.683 4.785 -3.329 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.374 5.107 -3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 150 7.846 5.480 -5.375 1.00 0.00 H new ATOM 0 HG3 ARG A 150 6.257 4.905 -5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 150 5.990 7.029 -3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 150 6.997 7.585 -5.169 1.00 0.00 H new ATOM 0 HE ARG A 150 4.351 6.251 -5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 150 4.787 9.267 -4.755 1.00 0.00 H new ATOM 0 HH12 ARG A 150 4.585 10.112 -6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 150 4.866 7.203 -8.212 1.00 0.00 H new ATOM 0 HH22 ARG A 150 4.629 8.953 -8.234 1.00 0.00 H new ATOM 132 N GLN A 151 9.294 2.430 -4.293 1.00 0.00 N ATOM 133 CA GLN A 151 10.681 2.122 -3.843 1.00 0.00 C ATOM 134 C GLN A 151 11.563 3.363 -4.010 1.00 0.00 C ATOM 135 O GLN A 151 11.352 4.173 -4.891 1.00 0.00 O ATOM 136 CB GLN A 151 11.245 0.969 -4.679 1.00 0.00 C ATOM 137 CG GLN A 151 11.632 1.477 -6.071 1.00 0.00 C ATOM 138 CD GLN A 151 13.094 1.926 -6.059 1.00 0.00 C ATOM 139 OE1 GLN A 151 13.412 3.013 -6.498 1.00 0.00 O ATOM 140 NE2 GLN A 151 14.005 1.128 -5.572 1.00 0.00 N ATOM 0 H GLN A 151 9.103 2.241 -5.277 1.00 0.00 H new ATOM 0 HA GLN A 151 10.666 1.832 -2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.116 0.541 -4.183 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.504 0.174 -4.765 1.00 0.00 H new ATOM 0 HG2 GLN A 151 11.488 0.690 -6.811 1.00 0.00 H new ATOM 0 HG3 GLN A 151 10.987 2.307 -6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 151 13.739 0.215 -5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 151 14.983 1.417 -5.560 1.00 0.00 H new ATOM 149 N ARG A 152 12.552 3.516 -3.171 1.00 0.00 N ATOM 150 CA ARG A 152 13.449 4.702 -3.282 1.00 0.00 C ATOM 151 C ARG A 152 14.890 4.230 -3.509 1.00 0.00 C ATOM 152 O ARG A 152 15.224 3.101 -3.209 1.00 0.00 O ATOM 153 CB ARG A 152 13.374 5.519 -1.989 1.00 0.00 C ATOM 154 CG ARG A 152 11.940 6.012 -1.780 1.00 0.00 C ATOM 155 CD ARG A 152 11.912 7.541 -1.816 1.00 0.00 C ATOM 156 NE ARG A 152 10.708 8.032 -1.088 1.00 0.00 N ATOM 157 CZ ARG A 152 10.809 9.038 -0.261 1.00 0.00 C ATOM 158 NH1 ARG A 152 11.548 8.931 0.809 1.00 0.00 N ATOM 159 NH2 ARG A 152 10.172 10.151 -0.505 1.00 0.00 N ATOM 0 H ARG A 152 12.777 2.871 -2.414 1.00 0.00 H new ATOM 0 HA ARG A 152 13.134 5.322 -4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.687 4.909 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.057 6.367 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 152 11.289 5.608 -2.556 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.557 5.654 -0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 152 12.816 7.943 -1.359 1.00 0.00 H new ATOM 0 HD3 ARG A 152 11.894 7.891 -2.848 1.00 0.00 H new ATOM 0 HE ARG A 152 9.804 7.582 -1.236 1.00 0.00 H new ATOM 0 HH11 ARG A 152 12.047 8.062 1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 152 11.627 9.716 1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 152 9.595 10.235 -1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 152 10.251 10.936 0.141 1.00 0.00 H new ATOM 173 N PRO A 153 15.699 5.112 -4.042 1.00 0.00 N ATOM 174 CA PRO A 153 17.115 4.818 -4.334 1.00 0.00 C ATOM 175 C PRO A 153 17.963 4.892 -3.058 1.00 0.00 C ATOM 176 O PRO A 153 19.175 4.835 -3.106 1.00 0.00 O ATOM 177 CB PRO A 153 17.514 5.923 -5.316 1.00 0.00 C ATOM 178 CG PRO A 153 16.515 7.086 -5.094 1.00 0.00 C ATOM 179 CD PRO A 153 15.278 6.480 -4.405 1.00 0.00 C ATOM 0 HA PRO A 153 17.266 3.816 -4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.538 6.251 -5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.470 5.564 -6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 153 16.960 7.866 -4.475 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.242 7.548 -6.043 1.00 0.00 H new ATOM 0 HD2 PRO A 153 14.991 7.055 -3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.416 6.468 -5.073 1.00 0.00 H new ATOM 187 N TRP A 154 17.338 5.014 -1.918 1.00 0.00 N ATOM 188 CA TRP A 154 18.120 5.089 -0.651 1.00 0.00 C ATOM 189 C TRP A 154 17.985 3.766 0.108 1.00 0.00 C ATOM 190 O TRP A 154 18.720 3.495 1.037 1.00 0.00 O ATOM 191 CB TRP A 154 17.590 6.233 0.215 1.00 0.00 C ATOM 192 CG TRP A 154 18.703 7.188 0.508 1.00 0.00 C ATOM 193 CD1 TRP A 154 19.561 7.687 -0.413 1.00 0.00 C ATOM 194 CD2 TRP A 154 19.097 7.762 1.788 1.00 0.00 C ATOM 195 NE1 TRP A 154 20.455 8.531 0.221 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.211 8.611 1.576 1.00 0.00 C ATOM 197 CE3 TRP A 154 18.600 7.632 3.099 1.00 0.00 C ATOM 198 CZ2 TRP A 154 20.810 9.303 2.630 1.00 0.00 C ATOM 199 CZ3 TRP A 154 19.201 8.329 4.161 1.00 0.00 C ATOM 200 CH2 TRP A 154 20.304 9.162 3.926 1.00 0.00 C ATOM 0 H TRP A 154 16.325 5.065 -1.809 1.00 0.00 H new ATOM 0 HA TRP A 154 19.169 5.271 -0.883 1.00 0.00 H new ATOM 0 HB2 TRP A 154 16.779 6.749 -0.300 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.178 5.840 1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 154 19.549 7.463 -1.469 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.204 9.033 -0.256 1.00 0.00 H new ATOM 0 HE3 TRP A 154 17.751 6.992 3.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 21.660 9.944 2.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 18.811 8.223 5.163 1.00 0.00 H new ATOM 0 HH2 TRP A 154 20.763 9.695 4.746 1.00 0.00 H new ATOM 211 N GLY A 155 17.057 2.937 -0.283 1.00 0.00 N ATOM 212 CA GLY A 155 16.882 1.631 0.412 1.00 0.00 C ATOM 213 C GLY A 155 15.636 1.680 1.298 1.00 0.00 C ATOM 214 O GLY A 155 15.673 1.317 2.457 1.00 0.00 O ATOM 0 H GLY A 155 16.412 3.108 -1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.788 0.829 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.761 1.409 1.017 1.00 0.00 H new ATOM 218 N LYS A 156 14.530 2.122 0.762 1.00 0.00 N ATOM 219 CA LYS A 156 13.284 2.191 1.577 1.00 0.00 C ATOM 220 C LYS A 156 12.066 2.000 0.668 1.00 0.00 C ATOM 221 O LYS A 156 12.193 1.731 -0.509 1.00 0.00 O ATOM 222 CB LYS A 156 13.196 3.556 2.262 1.00 0.00 C ATOM 223 CG LYS A 156 14.108 3.571 3.490 1.00 0.00 C ATOM 224 CD LYS A 156 14.266 5.007 3.990 1.00 0.00 C ATOM 225 CE LYS A 156 15.714 5.459 3.799 1.00 0.00 C ATOM 226 NZ LYS A 156 16.445 5.347 5.093 1.00 0.00 N ATOM 0 H LYS A 156 14.436 2.438 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 156 13.302 1.405 2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.491 4.343 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.167 3.761 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 156 13.687 2.945 4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.083 3.153 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 156 13.593 5.669 3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.991 5.069 5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 156 16.200 4.846 3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 156 15.741 6.489 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 17.430 5.654 4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 15.985 5.950 5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 16.431 4.358 5.415 1.00 0.00 H new ATOM 240 N PHE A 157 10.886 2.138 1.209 1.00 0.00 N ATOM 241 CA PHE A 157 9.660 1.968 0.379 1.00 0.00 C ATOM 242 C PHE A 157 8.516 2.772 0.998 1.00 0.00 C ATOM 243 O PHE A 157 8.669 3.392 2.032 1.00 0.00 O ATOM 244 CB PHE A 157 9.274 0.487 0.331 1.00 0.00 C ATOM 245 CG PHE A 157 10.261 -0.263 -0.532 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.456 -0.738 0.022 1.00 0.00 C ATOM 247 CD2 PHE A 157 9.979 -0.484 -1.886 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.371 -1.434 -0.780 1.00 0.00 C ATOM 249 CE2 PHE A 157 10.893 -1.180 -2.688 1.00 0.00 C ATOM 250 CZ PHE A 157 12.089 -1.655 -2.134 1.00 0.00 C ATOM 0 H PHE A 157 10.718 2.361 2.190 1.00 0.00 H new ATOM 0 HA PHE A 157 9.853 2.324 -0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.265 0.070 1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.266 0.376 -0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.673 -0.568 1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.057 -0.118 -2.312 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.293 -1.800 -0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.676 -1.350 -3.732 1.00 0.00 H new ATOM 0 HZ PHE A 157 12.794 -2.192 -2.751 1.00 0.00 H new ATOM 260 N ALA A 158 7.368 2.764 0.379 1.00 0.00 N ATOM 261 CA ALA A 158 6.219 3.529 0.939 1.00 0.00 C ATOM 262 C ALA A 158 4.912 2.815 0.601 1.00 0.00 C ATOM 263 O ALA A 158 4.496 2.768 -0.539 1.00 0.00 O ATOM 264 CB ALA A 158 6.191 4.933 0.338 1.00 0.00 C ATOM 0 H ALA A 158 7.176 2.262 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 158 6.331 3.597 2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.349 5.489 0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.120 5.450 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.084 4.863 -0.745 1.00 0.00 H new ATOM 270 N ALA A 159 4.256 2.268 1.585 1.00 0.00 N ATOM 271 CA ALA A 159 2.972 1.570 1.319 1.00 0.00 C ATOM 272 C ALA A 159 1.840 2.597 1.315 1.00 0.00 C ATOM 273 O ALA A 159 1.586 3.258 2.300 1.00 0.00 O ATOM 274 CB ALA A 159 2.718 0.531 2.413 1.00 0.00 C ATOM 0 H ALA A 159 4.554 2.275 2.560 1.00 0.00 H new ATOM 0 HA ALA A 159 3.018 1.068 0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.776 0.019 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.531 -0.195 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.666 1.028 3.382 1.00 0.00 H new ATOM 280 N GLU A 160 1.160 2.743 0.212 1.00 0.00 N ATOM 281 CA GLU A 160 0.047 3.733 0.150 1.00 0.00 C ATOM 282 C GLU A 160 -1.139 3.113 -0.586 1.00 0.00 C ATOM 283 O GLU A 160 -1.087 1.983 -1.025 1.00 0.00 O ATOM 284 CB GLU A 160 0.516 4.984 -0.595 1.00 0.00 C ATOM 285 CG GLU A 160 1.905 5.386 -0.098 1.00 0.00 C ATOM 286 CD GLU A 160 2.478 6.474 -1.008 1.00 0.00 C ATOM 287 OE1 GLU A 160 1.737 7.378 -1.357 1.00 0.00 O ATOM 288 OE2 GLU A 160 3.650 6.386 -1.338 1.00 0.00 O ATOM 0 H GLU A 160 1.326 2.221 -0.648 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.254 4.008 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.544 4.792 -1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -0.189 5.800 -0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 160 1.845 5.750 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.565 4.519 -0.090 1.00 0.00 H new ATOM 295 N ILE A 161 -2.211 3.842 -0.725 1.00 0.00 N ATOM 296 CA ILE A 161 -3.396 3.287 -1.433 1.00 0.00 C ATOM 297 C ILE A 161 -4.409 4.405 -1.689 1.00 0.00 C ATOM 298 O ILE A 161 -4.753 5.158 -0.801 1.00 0.00 O ATOM 299 CB ILE A 161 -4.041 2.201 -0.571 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.262 1.633 -1.298 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.478 2.801 0.767 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.012 0.678 -0.369 1.00 0.00 C ATOM 0 H ILE A 161 -2.317 4.796 -0.380 1.00 0.00 H new ATOM 0 HA ILE A 161 -3.083 2.858 -2.385 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.320 1.404 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.920 2.443 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.949 1.108 -2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.938 2.026 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.609 3.206 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.199 3.599 0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.881 0.274 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.352 -0.139 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.338 1.217 0.521 1.00 0.00 H new ATOM 314 N ARG A 162 -4.889 4.517 -2.898 1.00 0.00 N ATOM 315 CA ARG A 162 -5.878 5.586 -3.207 1.00 0.00 C ATOM 316 C ARG A 162 -7.151 5.354 -2.392 1.00 0.00 C ATOM 317 O ARG A 162 -7.472 4.239 -2.028 1.00 0.00 O ATOM 318 CB ARG A 162 -6.214 5.554 -4.699 1.00 0.00 C ATOM 319 CG ARG A 162 -7.265 6.622 -5.010 1.00 0.00 C ATOM 320 CD ARG A 162 -7.606 6.584 -6.500 1.00 0.00 C ATOM 321 NE ARG A 162 -9.080 6.448 -6.668 1.00 0.00 N ATOM 322 CZ ARG A 162 -9.563 5.582 -7.516 1.00 0.00 C ATOM 323 NH1 ARG A 162 -9.726 4.339 -7.156 1.00 0.00 N ATOM 324 NH2 ARG A 162 -9.882 5.960 -8.724 1.00 0.00 N ATOM 0 H ARG A 162 -4.639 3.915 -3.683 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.455 6.557 -2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -5.315 5.731 -5.289 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.588 4.569 -4.977 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -8.162 6.448 -4.416 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -6.889 7.608 -4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -7.256 7.494 -6.988 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -7.096 5.749 -6.980 1.00 0.00 H new ATOM 0 HE ARG A 162 -9.712 7.032 -6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -9.476 4.044 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -10.104 3.662 -7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -9.754 6.932 -9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -10.260 5.283 -9.387 1.00 0.00 H new ATOM 338 N ASP A 163 -7.880 6.397 -2.104 1.00 0.00 N ATOM 339 CA ASP A 163 -9.132 6.236 -1.313 1.00 0.00 C ATOM 340 C ASP A 163 -10.142 7.308 -1.741 1.00 0.00 C ATOM 341 O ASP A 163 -10.013 8.457 -1.367 1.00 0.00 O ATOM 342 CB ASP A 163 -8.816 6.399 0.175 1.00 0.00 C ATOM 343 CG ASP A 163 -10.037 5.994 1.005 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.071 6.619 0.844 1.00 0.00 O ATOM 345 OD2 ASP A 163 -9.915 5.065 1.787 1.00 0.00 O ATOM 0 H ASP A 163 -7.663 7.354 -2.382 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.553 5.246 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.959 5.782 0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.545 7.433 0.389 1.00 0.00 H new ATOM 350 N PRO A 164 -11.118 6.903 -2.515 1.00 0.00 N ATOM 351 CA PRO A 164 -12.164 7.815 -3.010 1.00 0.00 C ATOM 352 C PRO A 164 -13.173 8.120 -1.899 1.00 0.00 C ATOM 353 O PRO A 164 -13.821 9.147 -1.900 1.00 0.00 O ATOM 354 CB PRO A 164 -12.817 7.031 -4.152 1.00 0.00 C ATOM 355 CG PRO A 164 -12.507 5.539 -3.888 1.00 0.00 C ATOM 356 CD PRO A 164 -11.275 5.504 -2.965 1.00 0.00 C ATOM 0 HA PRO A 164 -11.775 8.780 -3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.893 7.206 -4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -12.419 7.346 -5.117 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -13.357 5.043 -3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -12.307 5.013 -4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.428 4.830 -2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -10.389 5.155 -3.496 1.00 0.00 H new ATOM 364 N ALA A 165 -13.305 7.237 -0.947 1.00 0.00 N ATOM 365 CA ALA A 165 -14.262 7.478 0.164 1.00 0.00 C ATOM 366 C ALA A 165 -13.804 8.699 0.966 1.00 0.00 C ATOM 367 O ALA A 165 -14.580 9.327 1.658 1.00 0.00 O ATOM 368 CB ALA A 165 -14.308 6.250 1.076 1.00 0.00 C ATOM 0 H ALA A 165 -12.790 6.359 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.257 7.660 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.010 6.428 1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.631 5.382 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.316 6.064 1.487 1.00 0.00 H new ATOM 374 N LYS A 166 -12.546 9.036 0.876 1.00 0.00 N ATOM 375 CA LYS A 166 -12.033 10.215 1.629 1.00 0.00 C ATOM 376 C LYS A 166 -11.991 11.433 0.703 1.00 0.00 C ATOM 377 O LYS A 166 -11.026 12.172 0.678 1.00 0.00 O ATOM 378 CB LYS A 166 -10.622 9.918 2.142 1.00 0.00 C ATOM 379 CG LYS A 166 -10.688 8.845 3.230 1.00 0.00 C ATOM 380 CD LYS A 166 -10.733 9.515 4.605 1.00 0.00 C ATOM 381 CE LYS A 166 -9.485 9.132 5.400 1.00 0.00 C ATOM 382 NZ LYS A 166 -9.890 8.512 6.694 1.00 0.00 N ATOM 0 H LYS A 166 -11.851 8.545 0.313 1.00 0.00 H new ATOM 0 HA LYS A 166 -12.692 10.421 2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -9.989 9.580 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -10.170 10.827 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -11.571 8.222 3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -9.820 8.189 3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -10.787 10.598 4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -11.629 9.205 5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -8.875 8.435 4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -8.873 10.015 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -9.041 8.251 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -10.455 9.191 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -10.457 7.660 6.508 1.00 0.00 H new ATOM 396 N ASN A 167 -13.027 11.645 -0.061 1.00 0.00 N ATOM 397 CA ASN A 167 -13.044 12.814 -0.986 1.00 0.00 C ATOM 398 C ASN A 167 -11.760 12.823 -1.818 1.00 0.00 C ATOM 399 O ASN A 167 -11.015 13.783 -1.815 1.00 0.00 O ATOM 400 CB ASN A 167 -13.135 14.109 -0.174 1.00 0.00 C ATOM 401 CG ASN A 167 -13.002 15.309 -1.113 1.00 0.00 C ATOM 402 OD1 ASN A 167 -13.286 15.208 -2.290 1.00 0.00 O ATOM 403 ND2 ASN A 167 -12.580 16.449 -0.639 1.00 0.00 N ATOM 0 H ASN A 167 -13.862 11.060 -0.085 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.907 12.740 -1.648 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -14.086 14.152 0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.348 14.134 0.580 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -12.488 17.256 -1.257 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -12.342 16.534 0.349 1.00 0.00 H new ATOM 410 N GLY A 168 -11.496 11.763 -2.532 1.00 0.00 N ATOM 411 CA GLY A 168 -10.261 11.714 -3.365 1.00 0.00 C ATOM 412 C GLY A 168 -9.050 12.085 -2.507 1.00 0.00 C ATOM 413 O GLY A 168 -8.569 13.200 -2.544 1.00 0.00 O ATOM 0 H GLY A 168 -12.082 10.929 -2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -10.131 10.716 -3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.349 12.403 -4.205 1.00 0.00 H new ATOM 417 N ALA A 169 -8.552 11.160 -1.732 1.00 0.00 N ATOM 418 CA ALA A 169 -7.371 11.462 -0.875 1.00 0.00 C ATOM 419 C ALA A 169 -6.435 10.251 -0.848 1.00 0.00 C ATOM 420 O ALA A 169 -6.857 9.133 -0.626 1.00 0.00 O ATOM 421 CB ALA A 169 -7.842 11.776 0.547 1.00 0.00 C ATOM 0 H ALA A 169 -8.912 10.209 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 169 -6.838 12.322 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -6.979 11.997 1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.508 12.639 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.375 10.916 0.952 1.00 0.00 H new ATOM 427 N ARG A 170 -5.167 10.465 -1.072 1.00 0.00 N ATOM 428 CA ARG A 170 -4.205 9.326 -1.059 1.00 0.00 C ATOM 429 C ARG A 170 -3.980 8.865 0.383 1.00 0.00 C ATOM 430 O ARG A 170 -3.945 9.659 1.301 1.00 0.00 O ATOM 431 CB ARG A 170 -2.874 9.777 -1.665 1.00 0.00 C ATOM 432 CG ARG A 170 -2.816 9.364 -3.136 1.00 0.00 C ATOM 433 CD ARG A 170 -1.868 10.296 -3.892 1.00 0.00 C ATOM 434 NE ARG A 170 -1.765 9.855 -5.313 1.00 0.00 N ATOM 435 CZ ARG A 170 -0.671 10.083 -5.989 1.00 0.00 C ATOM 436 NH1 ARG A 170 -0.529 11.205 -6.640 1.00 0.00 N ATOM 437 NH2 ARG A 170 0.278 9.188 -6.013 1.00 0.00 N ATOM 0 H ARG A 170 -4.756 11.379 -1.263 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.610 8.501 -1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.770 10.858 -1.576 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.044 9.330 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -2.474 8.333 -3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -3.812 9.407 -3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -2.234 11.322 -3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -0.883 10.287 -3.425 1.00 0.00 H new ATOM 0 HE ARG A 170 -2.548 9.376 -5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -1.272 11.903 -6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 170 0.325 11.384 -7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 170 0.165 8.311 -5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 170 1.133 9.365 -6.541 1.00 0.00 H new ATOM 451 N VAL A 171 -3.826 7.585 0.590 1.00 0.00 N ATOM 452 CA VAL A 171 -3.603 7.077 1.972 1.00 0.00 C ATOM 453 C VAL A 171 -2.177 6.535 2.094 1.00 0.00 C ATOM 454 O VAL A 171 -1.862 5.470 1.602 1.00 0.00 O ATOM 455 CB VAL A 171 -4.601 5.959 2.274 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.219 5.273 3.587 1.00 0.00 C ATOM 457 CG2 VAL A 171 -6.006 6.551 2.402 1.00 0.00 C ATOM 0 H VAL A 171 -3.845 6.871 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.744 7.891 2.683 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.584 5.230 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.931 4.476 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.218 4.851 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.236 6.002 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.718 5.754 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -6.021 7.280 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.281 7.041 1.468 1.00 0.00 H new ATOM 467 N TRP A 172 -1.314 7.263 2.748 1.00 0.00 N ATOM 468 CA TRP A 172 0.092 6.797 2.906 1.00 0.00 C ATOM 469 C TRP A 172 0.206 5.958 4.183 1.00 0.00 C ATOM 470 O TRP A 172 0.371 6.480 5.267 1.00 0.00 O ATOM 471 CB TRP A 172 1.018 8.014 3.001 1.00 0.00 C ATOM 472 CG TRP A 172 2.443 7.571 3.114 1.00 0.00 C ATOM 473 CD1 TRP A 172 2.972 6.912 4.171 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.531 7.746 2.158 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.311 6.675 3.926 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.702 7.167 2.702 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.616 8.345 0.885 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.913 7.180 2.013 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.836 8.361 0.187 1.00 0.00 C ATOM 480 CH2 TRP A 172 5.983 7.778 0.750 1.00 0.00 C ATOM 0 H TRP A 172 -1.523 8.163 3.181 1.00 0.00 H new ATOM 0 HA TRP A 172 0.380 6.189 2.048 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.894 8.644 2.120 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.748 8.619 3.866 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.435 6.619 5.061 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.934 6.194 4.574 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.739 8.794 0.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.792 6.731 2.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.892 8.824 -0.787 1.00 0.00 H new ATOM 0 HH2 TRP A 172 6.918 7.791 0.209 1.00 0.00 H new ATOM 491 N LEU A 173 0.113 4.661 4.064 1.00 0.00 N ATOM 492 CA LEU A 173 0.213 3.792 5.271 1.00 0.00 C ATOM 493 C LEU A 173 1.501 4.120 6.030 1.00 0.00 C ATOM 494 O LEU A 173 1.513 4.214 7.241 1.00 0.00 O ATOM 495 CB LEU A 173 0.232 2.322 4.844 1.00 0.00 C ATOM 496 CG LEU A 173 -1.200 1.833 4.623 1.00 0.00 C ATOM 497 CD1 LEU A 173 -1.421 1.546 3.135 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.429 0.551 5.427 1.00 0.00 C ATOM 0 H LEU A 173 -0.028 4.166 3.183 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.646 3.970 5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 173 0.812 2.206 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.720 1.717 5.609 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.900 2.601 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -2.442 1.198 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -1.257 2.458 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.721 0.778 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.449 0.201 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.728 -0.216 5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.273 0.753 6.487 1.00 0.00 H new ATOM 510 N GLY A 174 2.588 4.297 5.327 1.00 0.00 N ATOM 511 CA GLY A 174 3.873 4.621 6.010 1.00 0.00 C ATOM 512 C GLY A 174 5.038 3.998 5.240 1.00 0.00 C ATOM 513 O GLY A 174 4.870 3.058 4.490 1.00 0.00 O ATOM 0 H GLY A 174 2.641 4.231 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.001 5.702 6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.857 4.244 7.033 1.00 0.00 H new ATOM 517 N THR A 175 6.221 4.521 5.422 1.00 0.00 N ATOM 518 CA THR A 175 7.403 3.967 4.702 1.00 0.00 C ATOM 519 C THR A 175 7.807 2.635 5.333 1.00 0.00 C ATOM 520 O THR A 175 7.468 2.344 6.464 1.00 0.00 O ATOM 521 CB THR A 175 8.572 4.953 4.799 1.00 0.00 C ATOM 522 OG1 THR A 175 9.336 4.666 5.963 1.00 0.00 O ATOM 523 CG2 THR A 175 8.038 6.383 4.878 1.00 0.00 C ATOM 0 H THR A 175 6.420 5.309 6.039 1.00 0.00 H new ATOM 0 HA THR A 175 7.147 3.810 3.654 1.00 0.00 H new ATOM 0 HB THR A 175 9.202 4.854 3.915 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.085 5.295 6.026 1.00 0.00 H new ATOM 0 HG21 THR A 175 8.873 7.080 4.947 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.454 6.603 3.984 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.405 6.487 5.759 1.00 0.00 H new ATOM 531 N PHE A 176 8.527 1.820 4.613 1.00 0.00 N ATOM 532 CA PHE A 176 8.951 0.507 5.174 1.00 0.00 C ATOM 533 C PHE A 176 10.440 0.288 4.891 1.00 0.00 C ATOM 534 O PHE A 176 11.074 1.076 4.218 1.00 0.00 O ATOM 535 CB PHE A 176 8.129 -0.608 4.527 1.00 0.00 C ATOM 536 CG PHE A 176 6.724 -0.556 5.073 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.790 0.335 4.525 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.357 -1.390 6.136 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.489 0.389 5.040 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.057 -1.334 6.652 1.00 0.00 C ATOM 541 CZ PHE A 176 4.122 -0.445 6.104 1.00 0.00 C ATOM 0 H PHE A 176 8.840 2.007 3.660 1.00 0.00 H new ATOM 0 HA PHE A 176 8.787 0.497 6.252 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.117 -0.488 3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.579 -1.578 4.736 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.074 0.979 3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.077 -2.076 6.558 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.769 1.074 4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.774 -1.976 7.473 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.119 -0.403 6.502 1.00 0.00 H new ATOM 551 N GLU A 177 11.006 -0.772 5.403 1.00 0.00 N ATOM 552 CA GLU A 177 12.454 -1.029 5.165 1.00 0.00 C ATOM 553 C GLU A 177 12.644 -1.701 3.803 1.00 0.00 C ATOM 554 O GLU A 177 13.654 -1.525 3.150 1.00 0.00 O ATOM 555 CB GLU A 177 12.997 -1.947 6.264 1.00 0.00 C ATOM 556 CG GLU A 177 12.907 -1.235 7.616 1.00 0.00 C ATOM 557 CD GLU A 177 12.170 -2.129 8.615 1.00 0.00 C ATOM 558 OE1 GLU A 177 12.767 -3.089 9.077 1.00 0.00 O ATOM 559 OE2 GLU A 177 11.020 -1.840 8.903 1.00 0.00 O ATOM 0 H GLU A 177 10.529 -1.469 5.974 1.00 0.00 H new ATOM 0 HA GLU A 177 12.993 -0.082 5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.427 -2.875 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 177 14.032 -2.215 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 177 13.906 -1.006 7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 177 12.382 -0.286 7.505 1.00 0.00 H new ATOM 566 N THR A 178 11.683 -2.467 3.366 1.00 0.00 N ATOM 567 CA THR A 178 11.815 -3.146 2.046 1.00 0.00 C ATOM 568 C THR A 178 10.489 -3.053 1.292 1.00 0.00 C ATOM 569 O THR A 178 9.542 -2.446 1.752 1.00 0.00 O ATOM 570 CB THR A 178 12.178 -4.618 2.257 1.00 0.00 C ATOM 571 OG1 THR A 178 10.990 -5.374 2.439 1.00 0.00 O ATOM 572 CG2 THR A 178 13.071 -4.757 3.492 1.00 0.00 C ATOM 0 H THR A 178 10.813 -2.652 3.865 1.00 0.00 H new ATOM 0 HA THR A 178 12.600 -2.660 1.467 1.00 0.00 H new ATOM 0 HB THR A 178 12.715 -4.989 1.384 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.220 -6.317 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.328 -5.806 3.639 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.983 -4.177 3.349 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.540 -4.387 4.369 1.00 0.00 H new ATOM 580 N ALA A 179 10.411 -3.652 0.136 1.00 0.00 N ATOM 581 CA ALA A 179 9.147 -3.598 -0.647 1.00 0.00 C ATOM 582 C ALA A 179 8.201 -4.699 -0.167 1.00 0.00 C ATOM 583 O ALA A 179 6.998 -4.560 -0.221 1.00 0.00 O ATOM 584 CB ALA A 179 9.457 -3.804 -2.130 1.00 0.00 C ATOM 0 H ALA A 179 11.169 -4.177 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 179 8.674 -2.626 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.531 -3.765 -2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.131 -3.019 -2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.930 -4.776 -2.271 1.00 0.00 H new ATOM 590 N GLU A 180 8.734 -5.794 0.302 1.00 0.00 N ATOM 591 CA GLU A 180 7.857 -6.901 0.781 1.00 0.00 C ATOM 592 C GLU A 180 7.124 -6.462 2.050 1.00 0.00 C ATOM 593 O GLU A 180 6.006 -6.868 2.300 1.00 0.00 O ATOM 594 CB GLU A 180 8.710 -8.134 1.085 1.00 0.00 C ATOM 595 CG GLU A 180 7.800 -9.293 1.497 1.00 0.00 C ATOM 596 CD GLU A 180 8.585 -10.606 1.439 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.023 -10.964 0.359 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.733 -11.230 2.477 1.00 0.00 O ATOM 0 H GLU A 180 9.736 -5.970 0.374 1.00 0.00 H new ATOM 0 HA GLU A 180 7.128 -7.145 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.295 -8.411 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.418 -7.912 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.419 -9.129 2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 180 6.936 -9.344 0.834 1.00 0.00 H new ATOM 605 N ASP A 181 7.739 -5.638 2.849 1.00 0.00 N ATOM 606 CA ASP A 181 7.071 -5.176 4.096 1.00 0.00 C ATOM 607 C ASP A 181 6.011 -4.134 3.737 1.00 0.00 C ATOM 608 O ASP A 181 4.881 -4.211 4.175 1.00 0.00 O ATOM 609 CB ASP A 181 8.103 -4.548 5.036 1.00 0.00 C ATOM 610 CG ASP A 181 9.476 -5.182 4.804 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.519 -6.366 4.516 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.460 -4.471 4.921 1.00 0.00 O ATOM 0 H ASP A 181 8.675 -5.264 2.693 1.00 0.00 H new ATOM 0 HA ASP A 181 6.604 -6.025 4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.156 -3.473 4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.798 -4.691 6.073 1.00 0.00 H new ATOM 617 N ALA A 182 6.364 -3.164 2.938 1.00 0.00 N ATOM 618 CA ALA A 182 5.369 -2.127 2.547 1.00 0.00 C ATOM 619 C ALA A 182 4.287 -2.778 1.689 1.00 0.00 C ATOM 620 O ALA A 182 3.185 -2.280 1.572 1.00 0.00 O ATOM 621 CB ALA A 182 6.066 -1.025 1.744 1.00 0.00 C ATOM 0 H ALA A 182 7.296 -3.045 2.540 1.00 0.00 H new ATOM 0 HA ALA A 182 4.920 -1.690 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.337 -0.267 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.845 -0.568 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.512 -1.455 0.847 1.00 0.00 H new ATOM 627 N ALA A 183 4.595 -3.897 1.094 1.00 0.00 N ATOM 628 CA ALA A 183 3.591 -4.595 0.250 1.00 0.00 C ATOM 629 C ALA A 183 2.603 -5.327 1.159 1.00 0.00 C ATOM 630 O ALA A 183 1.404 -5.257 0.973 1.00 0.00 O ATOM 631 CB ALA A 183 4.303 -5.603 -0.653 1.00 0.00 C ATOM 0 H ALA A 183 5.503 -4.358 1.158 1.00 0.00 H new ATOM 0 HA ALA A 183 3.056 -3.874 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.569 -6.117 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 183 5.015 -5.080 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.832 -6.331 -0.039 1.00 0.00 H new ATOM 637 N LEU A 184 3.100 -6.019 2.147 1.00 0.00 N ATOM 638 CA LEU A 184 2.196 -6.748 3.078 1.00 0.00 C ATOM 639 C LEU A 184 1.309 -5.736 3.801 1.00 0.00 C ATOM 640 O LEU A 184 0.127 -5.952 3.995 1.00 0.00 O ATOM 641 CB LEU A 184 3.030 -7.518 4.103 1.00 0.00 C ATOM 642 CG LEU A 184 2.147 -8.543 4.821 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.483 -9.464 3.796 1.00 0.00 C ATOM 644 CD2 LEU A 184 3.011 -9.377 5.770 1.00 0.00 C ATOM 0 H LEU A 184 4.096 -6.111 2.349 1.00 0.00 H new ATOM 0 HA LEU A 184 1.578 -7.449 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.859 -8.022 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.464 -6.827 4.826 1.00 0.00 H new ATOM 0 HG LEU A 184 1.375 -8.022 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.856 -10.191 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 184 0.868 -8.871 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 184 2.251 -9.987 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.386 -10.108 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 184 3.782 -9.895 5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.481 -8.723 6.504 1.00 0.00 H new ATOM 656 N ALA A 185 1.871 -4.628 4.193 1.00 0.00 N ATOM 657 CA ALA A 185 1.071 -3.590 4.896 1.00 0.00 C ATOM 658 C ALA A 185 0.104 -2.952 3.901 1.00 0.00 C ATOM 659 O ALA A 185 -0.928 -2.426 4.271 1.00 0.00 O ATOM 660 CB ALA A 185 2.006 -2.518 5.459 1.00 0.00 C ATOM 0 H ALA A 185 2.855 -4.396 4.056 1.00 0.00 H new ATOM 0 HA ALA A 185 0.513 -4.045 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.419 -1.757 5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.703 -2.976 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.563 -2.056 4.644 1.00 0.00 H new ATOM 666 N TYR A 186 0.429 -2.995 2.638 1.00 0.00 N ATOM 667 CA TYR A 186 -0.472 -2.393 1.617 1.00 0.00 C ATOM 668 C TYR A 186 -1.732 -3.248 1.485 1.00 0.00 C ATOM 669 O TYR A 186 -2.801 -2.749 1.207 1.00 0.00 O ATOM 670 CB TYR A 186 0.237 -2.336 0.263 1.00 0.00 C ATOM 671 CG TYR A 186 -0.761 -1.941 -0.796 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.635 -2.900 -1.322 1.00 0.00 C ATOM 673 CD2 TYR A 186 -0.821 -0.616 -1.245 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.569 -2.535 -2.300 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.756 -0.250 -2.224 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.630 -1.210 -2.751 1.00 0.00 C ATOM 677 OH TYR A 186 -3.550 -0.851 -3.715 1.00 0.00 O ATOM 0 H TYR A 186 1.279 -3.421 2.270 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.738 -1.383 1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 186 1.055 -1.617 0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.674 -3.306 0.026 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.589 -3.921 -0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.148 0.124 -0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.242 -3.275 -2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -1.802 0.771 -2.572 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.460 0.104 -3.914 1.00 0.00 H new ATOM 687 N ASP A 187 -1.614 -4.533 1.676 1.00 0.00 N ATOM 688 CA ASP A 187 -2.801 -5.417 1.561 1.00 0.00 C ATOM 689 C ASP A 187 -3.754 -5.137 2.723 1.00 0.00 C ATOM 690 O ASP A 187 -4.950 -5.015 2.547 1.00 0.00 O ATOM 691 CB ASP A 187 -2.342 -6.874 1.614 1.00 0.00 C ATOM 692 CG ASP A 187 -1.463 -7.176 0.400 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.020 -6.233 -0.235 1.00 0.00 O ATOM 694 OD2 ASP A 187 -1.245 -8.345 0.126 1.00 0.00 O ATOM 0 H ASP A 187 -0.742 -5.008 1.908 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.316 -5.228 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.786 -7.058 2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.206 -7.538 1.625 1.00 0.00 H new ATOM 699 N ARG A 188 -3.228 -5.041 3.909 1.00 0.00 N ATOM 700 CA ARG A 188 -4.091 -4.774 5.096 1.00 0.00 C ATOM 701 C ARG A 188 -4.858 -3.462 4.907 1.00 0.00 C ATOM 702 O ARG A 188 -5.986 -3.327 5.336 1.00 0.00 O ATOM 703 CB ARG A 188 -3.213 -4.674 6.345 1.00 0.00 C ATOM 704 CG ARG A 188 -3.226 -6.010 7.089 1.00 0.00 C ATOM 705 CD ARG A 188 -2.079 -6.043 8.100 1.00 0.00 C ATOM 706 NE ARG A 188 -2.413 -6.991 9.199 1.00 0.00 N ATOM 707 CZ ARG A 188 -3.174 -6.605 10.186 1.00 0.00 C ATOM 708 NH1 ARG A 188 -2.683 -5.857 11.136 1.00 0.00 N ATOM 709 NH2 ARG A 188 -4.427 -6.967 10.223 1.00 0.00 N ATOM 0 H ARG A 188 -2.233 -5.136 4.111 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.806 -5.589 5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.193 -4.412 6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.578 -3.880 6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -4.179 -6.144 7.600 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -3.125 -6.833 6.382 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -1.156 -6.350 7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -1.908 -5.046 8.505 1.00 0.00 H new ATOM 0 HE ARG A 188 -2.047 -7.943 9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -1.704 -5.574 11.107 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -3.279 -5.556 11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -4.811 -7.551 9.481 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -5.022 -6.666 10.994 1.00 0.00 H new ATOM 723 N ALA A 189 -4.256 -2.491 4.278 1.00 0.00 N ATOM 724 CA ALA A 189 -4.955 -1.188 4.076 1.00 0.00 C ATOM 725 C ALA A 189 -5.908 -1.286 2.884 1.00 0.00 C ATOM 726 O ALA A 189 -6.960 -0.677 2.866 1.00 0.00 O ATOM 727 CB ALA A 189 -3.923 -0.091 3.811 1.00 0.00 C ATOM 0 H ALA A 189 -3.312 -2.542 3.895 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.526 -0.947 4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.433 0.861 3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.248 -0.013 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.351 -0.338 2.917 1.00 0.00 H new ATOM 733 N ALA A 190 -5.553 -2.049 1.890 1.00 0.00 N ATOM 734 CA ALA A 190 -6.441 -2.188 0.705 1.00 0.00 C ATOM 735 C ALA A 190 -7.450 -3.307 0.961 1.00 0.00 C ATOM 736 O ALA A 190 -8.312 -3.576 0.151 1.00 0.00 O ATOM 737 CB ALA A 190 -5.601 -2.525 -0.529 1.00 0.00 C ATOM 0 H ALA A 190 -4.685 -2.583 1.847 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.971 -1.251 0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.253 -2.627 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.881 -1.727 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.070 -3.462 -0.363 1.00 0.00 H new ATOM 743 N PHE A 191 -7.350 -3.960 2.087 1.00 0.00 N ATOM 744 CA PHE A 191 -8.305 -5.056 2.399 1.00 0.00 C ATOM 745 C PHE A 191 -9.335 -4.550 3.406 1.00 0.00 C ATOM 746 O PHE A 191 -10.437 -5.050 3.486 1.00 0.00 O ATOM 747 CB PHE A 191 -7.542 -6.241 2.997 1.00 0.00 C ATOM 748 CG PHE A 191 -8.382 -7.489 2.893 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.403 -8.223 1.700 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.140 -7.916 3.992 1.00 0.00 C ATOM 751 CE1 PHE A 191 -9.182 -9.383 1.605 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.918 -9.078 3.897 1.00 0.00 C ATOM 753 CZ PHE A 191 -9.939 -9.811 2.703 1.00 0.00 C ATOM 0 H PHE A 191 -6.647 -3.780 2.804 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.810 -5.375 1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.598 -6.381 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.299 -6.040 4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.818 -7.894 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -9.125 -7.350 4.912 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -9.199 -9.948 0.685 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -10.501 -9.408 4.744 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.539 -10.706 2.629 1.00 0.00 H new ATOM 763 N ARG A 192 -8.989 -3.552 4.169 1.00 0.00 N ATOM 764 CA ARG A 192 -9.954 -3.004 5.161 1.00 0.00 C ATOM 765 C ARG A 192 -10.857 -1.992 4.461 1.00 0.00 C ATOM 766 O ARG A 192 -12.049 -1.937 4.689 1.00 0.00 O ATOM 767 CB ARG A 192 -9.186 -2.308 6.286 1.00 0.00 C ATOM 768 CG ARG A 192 -10.173 -1.646 7.249 1.00 0.00 C ATOM 769 CD ARG A 192 -9.665 -1.801 8.683 1.00 0.00 C ATOM 770 NE ARG A 192 -10.654 -1.213 9.629 1.00 0.00 N ATOM 771 CZ ARG A 192 -11.625 -1.946 10.097 1.00 0.00 C ATOM 772 NH1 ARG A 192 -12.634 -2.259 9.330 1.00 0.00 N ATOM 773 NH2 ARG A 192 -11.589 -2.367 11.332 1.00 0.00 N ATOM 0 H ARG A 192 -8.079 -3.092 4.148 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.555 -3.811 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.570 -3.031 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.511 -1.560 5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -10.285 -0.590 7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -11.158 -2.103 7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -9.509 -2.855 8.913 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -8.701 -1.305 8.794 1.00 0.00 H new ATOM 0 HE ARG A 192 -10.571 -0.236 9.911 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -12.662 -1.930 8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -13.394 -2.833 9.696 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -10.801 -2.122 11.931 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -12.349 -2.941 11.698 1.00 0.00 H new ATOM 787 N MET A 193 -10.287 -1.190 3.606 1.00 0.00 N ATOM 788 CA MET A 193 -11.091 -0.171 2.879 1.00 0.00 C ATOM 789 C MET A 193 -11.887 -0.841 1.755 1.00 0.00 C ATOM 790 O MET A 193 -12.968 -0.409 1.409 1.00 0.00 O ATOM 791 CB MET A 193 -10.153 0.876 2.280 1.00 0.00 C ATOM 792 CG MET A 193 -9.945 2.012 3.285 1.00 0.00 C ATOM 793 SD MET A 193 -8.259 1.938 3.941 1.00 0.00 S ATOM 794 CE MET A 193 -7.469 2.936 2.655 1.00 0.00 C ATOM 0 H MET A 193 -9.293 -1.197 3.379 1.00 0.00 H new ATOM 0 HA MET A 193 -11.783 0.306 3.574 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.196 0.420 2.028 1.00 0.00 H new ATOM 0 HB3 MET A 193 -10.573 1.268 1.354 1.00 0.00 H new ATOM 0 HG2 MET A 193 -10.117 2.974 2.803 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.667 1.929 4.098 1.00 0.00 H new ATOM 0 HE1 MET A 193 -6.395 2.978 2.835 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.656 2.487 1.680 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.880 3.946 2.674 1.00 0.00 H new ATOM 804 N ARG A 194 -11.364 -1.891 1.181 1.00 0.00 N ATOM 805 CA ARG A 194 -12.101 -2.579 0.083 1.00 0.00 C ATOM 806 C ARG A 194 -12.781 -3.826 0.644 1.00 0.00 C ATOM 807 O ARG A 194 -13.702 -4.362 0.060 1.00 0.00 O ATOM 808 CB ARG A 194 -11.120 -2.981 -1.021 1.00 0.00 C ATOM 809 CG ARG A 194 -10.663 -1.732 -1.777 1.00 0.00 C ATOM 810 CD ARG A 194 -9.993 -2.143 -3.092 1.00 0.00 C ATOM 811 NE ARG A 194 -8.978 -1.120 -3.472 1.00 0.00 N ATOM 812 CZ ARG A 194 -8.057 -1.407 -4.353 1.00 0.00 C ATOM 813 NH1 ARG A 194 -7.141 -2.292 -4.074 1.00 0.00 N ATOM 814 NH2 ARG A 194 -8.054 -0.805 -5.511 1.00 0.00 N ATOM 0 H ARG A 194 -10.462 -2.301 1.424 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.852 -1.907 -0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.260 -3.493 -0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.596 -3.681 -1.708 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -11.516 -1.084 -1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -9.966 -1.159 -1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.519 -3.118 -2.982 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -10.741 -2.239 -3.879 1.00 0.00 H new ATOM 0 HE ARG A 194 -9.002 -0.195 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -7.143 -2.760 -3.168 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -6.422 -2.516 -4.762 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -8.770 -0.111 -5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -7.336 -1.028 -6.200 1.00 0.00 H new ATOM 828 N GLY A 195 -12.335 -4.287 1.779 1.00 0.00 N ATOM 829 CA GLY A 195 -12.953 -5.499 2.390 1.00 0.00 C ATOM 830 C GLY A 195 -13.094 -6.596 1.334 1.00 0.00 C ATOM 831 O GLY A 195 -12.669 -6.445 0.206 1.00 0.00 O ATOM 0 H GLY A 195 -11.568 -3.877 2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -12.338 -5.854 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -13.931 -5.251 2.803 1.00 0.00 H new ATOM 835 N SER A 196 -13.689 -7.700 1.692 1.00 0.00 N ATOM 836 CA SER A 196 -13.861 -8.809 0.713 1.00 0.00 C ATOM 837 C SER A 196 -12.567 -9.002 -0.082 1.00 0.00 C ATOM 838 O SER A 196 -11.499 -8.617 0.351 1.00 0.00 O ATOM 839 CB SER A 196 -15.002 -8.468 -0.246 1.00 0.00 C ATOM 840 OG SER A 196 -15.876 -9.583 -0.349 1.00 0.00 O ATOM 0 H SER A 196 -14.064 -7.882 2.623 1.00 0.00 H new ATOM 0 HA SER A 196 -14.096 -9.729 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.547 -7.596 0.114 1.00 0.00 H new ATOM 0 HB3 SER A 196 -14.603 -8.212 -1.228 1.00 0.00 H new ATOM 0 HG SER A 196 -16.610 -9.368 -0.962 1.00 0.00 H new ATOM 846 N ARG A 197 -12.655 -9.598 -1.239 1.00 0.00 N ATOM 847 CA ARG A 197 -11.431 -9.819 -2.061 1.00 0.00 C ATOM 848 C ARG A 197 -10.958 -8.487 -2.646 1.00 0.00 C ATOM 849 O ARG A 197 -11.748 -7.669 -3.073 1.00 0.00 O ATOM 850 CB ARG A 197 -11.753 -10.789 -3.202 1.00 0.00 C ATOM 851 CG ARG A 197 -10.956 -12.083 -3.015 1.00 0.00 C ATOM 852 CD ARG A 197 -9.568 -11.922 -3.637 1.00 0.00 C ATOM 853 NE ARG A 197 -8.942 -13.263 -3.814 1.00 0.00 N ATOM 854 CZ ARG A 197 -7.954 -13.414 -4.651 1.00 0.00 C ATOM 855 NH1 ARG A 197 -8.080 -13.016 -5.887 1.00 0.00 N ATOM 856 NH2 ARG A 197 -6.839 -13.964 -4.254 1.00 0.00 N ATOM 0 H ARG A 197 -13.522 -9.942 -1.651 1.00 0.00 H new ATOM 0 HA ARG A 197 -10.645 -10.239 -1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -12.821 -11.007 -3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -11.506 -10.333 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -10.866 -12.317 -1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -11.481 -12.917 -3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -9.646 -11.416 -4.599 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -8.942 -11.299 -2.999 1.00 0.00 H new ATOM 0 HE ARG A 197 -9.286 -14.062 -3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -8.951 -12.587 -6.198 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -7.307 -13.134 -6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -6.740 -14.276 -3.288 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -6.067 -14.082 -4.910 1.00 0.00 H new ATOM 870 N ALA A 198 -9.672 -8.265 -2.674 1.00 0.00 N ATOM 871 CA ALA A 198 -9.146 -6.989 -3.236 1.00 0.00 C ATOM 872 C ALA A 198 -7.821 -7.261 -3.951 1.00 0.00 C ATOM 873 O ALA A 198 -7.206 -8.291 -3.763 1.00 0.00 O ATOM 874 CB ALA A 198 -8.921 -5.984 -2.103 1.00 0.00 C ATOM 0 H ALA A 198 -8.963 -8.913 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 198 -9.865 -6.577 -3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.536 -5.051 -2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -9.865 -5.793 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.201 -6.391 -1.393 1.00 0.00 H new ATOM 880 N LEU A 199 -7.378 -6.350 -4.775 1.00 0.00 N ATOM 881 CA LEU A 199 -6.096 -6.568 -5.500 1.00 0.00 C ATOM 882 C LEU A 199 -4.921 -6.189 -4.595 1.00 0.00 C ATOM 883 O LEU A 199 -4.649 -5.027 -4.369 1.00 0.00 O ATOM 884 CB LEU A 199 -6.066 -5.703 -6.764 1.00 0.00 C ATOM 885 CG LEU A 199 -5.532 -6.532 -7.934 1.00 0.00 C ATOM 886 CD1 LEU A 199 -5.647 -5.727 -9.230 1.00 0.00 C ATOM 887 CD2 LEU A 199 -4.063 -6.881 -7.682 1.00 0.00 C ATOM 0 H LEU A 199 -7.848 -5.467 -4.976 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.015 -7.619 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.067 -5.336 -6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.435 -4.829 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 199 -6.116 -7.448 -8.024 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -5.266 -6.320 -10.062 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -6.692 -5.477 -9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -5.065 -4.810 -9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -3.681 -7.472 -8.515 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -3.481 -5.964 -7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -3.979 -7.457 -6.760 1.00 0.00 H new ATOM 899 N LEU A 200 -4.220 -7.163 -4.081 1.00 0.00 N ATOM 900 CA LEU A 200 -3.058 -6.861 -3.195 1.00 0.00 C ATOM 901 C LEU A 200 -1.806 -7.510 -3.779 1.00 0.00 C ATOM 902 O LEU A 200 -1.884 -8.375 -4.629 1.00 0.00 O ATOM 903 CB LEU A 200 -3.292 -7.414 -1.779 1.00 0.00 C ATOM 904 CG LEU A 200 -4.663 -8.088 -1.686 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.720 -8.970 -0.437 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.745 -7.013 -1.598 1.00 0.00 C ATOM 0 H LEU A 200 -4.401 -8.155 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 200 -2.937 -5.779 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.510 -8.131 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.228 -6.605 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.826 -8.705 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.697 -9.448 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.945 -9.734 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.558 -8.357 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.724 -7.487 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.578 -6.400 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.706 -6.384 -2.487 1.00 0.00 H new ATOM 918 N ASN A 201 -0.653 -7.117 -3.321 1.00 0.00 N ATOM 919 CA ASN A 201 0.596 -7.737 -3.848 1.00 0.00 C ATOM 920 C ASN A 201 0.619 -9.200 -3.419 1.00 0.00 C ATOM 921 O ASN A 201 1.116 -10.060 -4.117 1.00 0.00 O ATOM 922 CB ASN A 201 1.832 -7.032 -3.276 1.00 0.00 C ATOM 923 CG ASN A 201 1.491 -5.591 -2.895 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.567 -5.233 -1.646 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 1.156 -4.785 -3.742 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.519 -6.399 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 201 0.614 -7.647 -4.934 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.194 -7.571 -2.401 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.637 -7.040 -4.011 1.00 0.00 H new ATOM 0 HD21 ASN A 201 1.097 -5.068 -4.720 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.934 -3.826 -3.474 1.00 0.00 H new ATOM 932 N PHE A 202 0.075 -9.482 -2.266 1.00 0.00 N ATOM 933 CA PHE A 202 0.050 -10.882 -1.766 1.00 0.00 C ATOM 934 C PHE A 202 -1.397 -11.277 -1.457 1.00 0.00 C ATOM 935 O PHE A 202 -1.795 -11.317 -0.310 1.00 0.00 O ATOM 936 CB PHE A 202 0.896 -10.974 -0.493 1.00 0.00 C ATOM 937 CG PHE A 202 2.165 -10.180 -0.675 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.844 -10.219 -1.899 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.670 -9.412 0.381 1.00 0.00 C ATOM 940 CE1 PHE A 202 4.026 -9.490 -2.068 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.853 -8.681 0.212 1.00 0.00 C ATOM 942 CZ PHE A 202 4.531 -8.720 -1.013 1.00 0.00 C ATOM 0 H PHE A 202 -0.356 -8.796 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 202 0.456 -11.557 -2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.334 -10.591 0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.134 -12.015 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.455 -10.812 -2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.148 -9.383 1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.549 -9.521 -3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.242 -8.088 1.026 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.443 -8.156 -1.144 1.00 0.00 H new ATOM 952 N PRO A 203 -2.144 -11.546 -2.498 1.00 0.00 N ATOM 953 CA PRO A 203 -3.561 -11.931 -2.382 1.00 0.00 C ATOM 954 C PRO A 203 -3.687 -13.392 -1.937 1.00 0.00 C ATOM 955 O PRO A 203 -2.915 -14.241 -2.336 1.00 0.00 O ATOM 956 CB PRO A 203 -4.102 -11.745 -3.802 1.00 0.00 C ATOM 957 CG PRO A 203 -2.878 -11.817 -4.747 1.00 0.00 C ATOM 958 CD PRO A 203 -1.642 -11.496 -3.888 1.00 0.00 C ATOM 0 HA PRO A 203 -4.104 -11.342 -1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.828 -12.521 -4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.614 -10.788 -3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.792 -12.807 -5.195 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.977 -11.104 -5.565 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.845 -12.222 -4.050 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.233 -10.515 -4.129 1.00 0.00 H new