USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 414 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 136 GLN : amide:sc=-0.00328 K(o=-0.0033,f=-1.2) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 171:sc= -0.302 USER MOD Single : A 152 THR OG1 : rot -160:sc= 0.08 USER MOD Single : A 155 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.2) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl 154:sc= -5.23 (180deg=-6.97!) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= -1.26 K(o=-1.3,f=-4.8!) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ARG A 132 -1.077 -6.768 1.075 1.00 0.00 N ATOM 77 CA ARG A 132 -0.661 -6.863 2.469 1.00 0.00 C ATOM 78 C ARG A 132 0.195 -5.664 2.863 1.00 0.00 C ATOM 79 O ARG A 132 0.764 -4.986 2.008 1.00 0.00 O ATOM 80 CB ARG A 132 0.116 -8.159 2.705 1.00 0.00 C ATOM 81 CG ARG A 132 -0.764 -9.333 3.103 1.00 0.00 C ATOM 82 CD ARG A 132 -0.779 -9.533 4.611 1.00 0.00 C ATOM 83 NE ARG A 132 -2.043 -9.106 5.207 1.00 0.00 N ATOM 84 CZ ARG A 132 -3.194 -9.755 5.048 1.00 0.00 C ATOM 85 NH1 ARG A 132 -3.245 -10.859 4.312 1.00 0.00 N ATOM 86 NH2 ARG A 132 -4.298 -9.300 5.624 1.00 0.00 N ATOM 0 HA ARG A 132 -1.557 -6.868 3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.661 -8.416 1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 132 0.858 -7.991 3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -1.780 -9.164 2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -0.403 -10.240 2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -0.608 -10.585 4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 132 0.041 -8.972 5.059 1.00 0.00 H new ATOM 0 HE ARG A 132 -2.043 -8.261 5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -2.399 -11.214 3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -4.130 -11.352 4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -4.266 -8.452 6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -5.180 -9.798 5.502 1.00 0.00 H new ATOM 100 N GLU A 133 0.282 -5.408 4.165 1.00 0.00 N ATOM 101 CA GLU A 133 1.071 -4.291 4.672 1.00 0.00 C ATOM 102 C GLU A 133 2.536 -4.434 4.277 1.00 0.00 C ATOM 103 O GLU A 133 3.150 -5.479 4.496 1.00 0.00 O ATOM 104 CB GLU A 133 0.948 -4.204 6.196 1.00 0.00 C ATOM 105 CG GLU A 133 1.325 -5.493 6.911 1.00 0.00 C ATOM 106 CD GLU A 133 1.213 -5.375 8.418 1.00 0.00 C ATOM 107 OE1 GLU A 133 0.075 -5.386 8.932 1.00 0.00 O ATOM 108 OE2 GLU A 133 2.265 -5.274 9.085 1.00 0.00 O ATOM 0 H GLU A 133 -0.184 -5.958 4.887 1.00 0.00 H new ATOM 0 HA GLU A 133 0.683 -3.374 4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.585 -3.397 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.078 -3.941 6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 133 0.679 -6.299 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.346 -5.766 6.646 1.00 0.00 H new ATOM 115 N GLY A 134 3.092 -3.378 3.690 1.00 0.00 N ATOM 116 CA GLY A 134 4.481 -3.408 3.273 1.00 0.00 C ATOM 117 C GLY A 134 4.648 -3.144 1.789 1.00 0.00 C ATOM 118 O GLY A 134 5.705 -2.690 1.348 1.00 0.00 O ATOM 0 H GLY A 134 2.605 -2.503 3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 134 5.042 -2.663 3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.909 -4.381 3.516 1.00 0.00 H new ATOM 122 N ASP A 135 3.606 -3.430 1.015 1.00 0.00 N ATOM 123 CA ASP A 135 3.646 -3.222 -0.427 1.00 0.00 C ATOM 124 C ASP A 135 3.917 -1.757 -0.758 1.00 0.00 C ATOM 125 O ASP A 135 3.887 -0.896 0.121 1.00 0.00 O ATOM 126 CB ASP A 135 2.328 -3.666 -1.066 1.00 0.00 C ATOM 127 CG ASP A 135 2.540 -4.408 -2.372 1.00 0.00 C ATOM 128 OD1 ASP A 135 3.309 -5.392 -2.377 1.00 0.00 O ATOM 129 OD2 ASP A 135 1.939 -4.002 -3.389 1.00 0.00 O ATOM 0 H ASP A 135 2.724 -3.806 1.363 1.00 0.00 H new ATOM 0 HA ASP A 135 4.459 -3.824 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 135 1.788 -4.308 -0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 135 1.702 -2.792 -1.245 1.00 0.00 H new ATOM 134 N GLN A 136 4.184 -1.482 -2.032 1.00 0.00 N ATOM 135 CA GLN A 136 4.462 -0.120 -2.476 1.00 0.00 C ATOM 136 C GLN A 136 3.526 0.289 -3.609 1.00 0.00 C ATOM 137 O GLN A 136 3.282 -0.481 -4.539 1.00 0.00 O ATOM 138 CB GLN A 136 5.918 0.001 -2.932 1.00 0.00 C ATOM 139 CG GLN A 136 6.837 0.597 -1.878 1.00 0.00 C ATOM 140 CD GLN A 136 8.181 1.010 -2.444 1.00 0.00 C ATOM 141 OE1 GLN A 136 8.433 0.871 -3.641 1.00 0.00 O ATOM 142 NE2 GLN A 136 9.052 1.525 -1.585 1.00 0.00 N ATOM 0 H GLN A 136 4.214 -2.182 -2.773 1.00 0.00 H new ATOM 0 HA GLN A 136 4.294 0.551 -1.633 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.287 -0.987 -3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 136 5.959 0.618 -3.829 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.354 1.465 -1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 136 6.990 -0.131 -1.081 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.801 1.622 -0.601 1.00 0.00 H new ATOM 0 HE22 GLN A 136 9.972 1.824 -1.909 1.00 0.00 H new ATOM 151 N VAL A 137 3.006 1.510 -3.524 1.00 0.00 N ATOM 152 CA VAL A 137 2.097 2.029 -4.540 1.00 0.00 C ATOM 153 C VAL A 137 2.385 3.501 -4.821 1.00 0.00 C ATOM 154 O VAL A 137 2.754 4.250 -3.918 1.00 0.00 O ATOM 155 CB VAL A 137 0.627 1.876 -4.109 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.206 0.415 -4.156 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.415 2.455 -2.719 1.00 0.00 C ATOM 0 H VAL A 137 3.199 2.159 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 137 2.261 1.446 -5.446 1.00 0.00 H new ATOM 0 HB VAL A 137 0.003 2.433 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.836 0.326 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.317 0.037 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.834 -0.167 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.630 2.338 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.049 1.929 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.674 3.514 -2.723 1.00 0.00 H new ATOM 167 N ARG A 138 2.216 3.909 -6.075 1.00 0.00 N ATOM 168 CA ARG A 138 2.466 5.294 -6.460 1.00 0.00 C ATOM 169 C ARG A 138 1.290 6.190 -6.084 1.00 0.00 C ATOM 170 O ARG A 138 0.192 5.711 -5.803 1.00 0.00 O ATOM 171 CB ARG A 138 2.743 5.396 -7.963 1.00 0.00 C ATOM 172 CG ARG A 138 4.050 6.106 -8.295 1.00 0.00 C ATOM 173 CD ARG A 138 5.053 5.161 -8.939 1.00 0.00 C ATOM 174 NE ARG A 138 5.782 5.799 -10.032 1.00 0.00 N ATOM 175 CZ ARG A 138 5.292 5.953 -11.261 1.00 0.00 C ATOM 176 NH1 ARG A 138 4.073 5.517 -11.556 1.00 0.00 N ATOM 177 NH2 ARG A 138 6.022 6.544 -12.195 1.00 0.00 N ATOM 0 H ARG A 138 1.909 3.305 -6.837 1.00 0.00 H new ATOM 0 HA ARG A 138 3.346 5.635 -5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 138 2.766 4.393 -8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 138 1.919 5.927 -8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.851 6.940 -8.968 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.478 6.526 -7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.760 4.814 -8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.532 4.281 -9.316 1.00 0.00 H new ATOM 0 HE ARG A 138 6.722 6.147 -9.843 1.00 0.00 H new ATOM 0 HH11 ARG A 138 3.507 5.062 -10.840 1.00 0.00 H new ATOM 0 HH12 ARG A 138 3.703 5.637 -12.499 1.00 0.00 H new ATOM 0 HH21 ARG A 138 6.959 6.881 -11.973 1.00 0.00 H new ATOM 0 HH22 ARG A 138 5.647 6.662 -13.136 1.00 0.00 H new ATOM 191 N VAL A 139 1.539 7.494 -6.078 1.00 0.00 N ATOM 192 CA VAL A 139 0.516 8.475 -5.732 1.00 0.00 C ATOM 193 C VAL A 139 -0.424 8.745 -6.908 1.00 0.00 C ATOM 194 O VAL A 139 -0.020 8.685 -8.069 1.00 0.00 O ATOM 195 CB VAL A 139 1.158 9.801 -5.286 1.00 0.00 C ATOM 196 CG1 VAL A 139 0.099 10.799 -4.847 1.00 0.00 C ATOM 197 CG2 VAL A 139 2.168 9.557 -4.175 1.00 0.00 C ATOM 0 H VAL A 139 2.446 7.899 -6.310 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.063 8.055 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 139 1.684 10.228 -6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.580 11.727 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.577 11.001 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.466 10.386 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.612 10.505 -3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.667 9.102 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.950 8.889 -4.535 1.00 0.00 H new ATOM 207 N VAL A 140 -1.687 9.033 -6.593 1.00 0.00 N ATOM 208 CA VAL A 140 -2.699 9.304 -7.611 1.00 0.00 C ATOM 209 C VAL A 140 -2.715 10.773 -8.039 1.00 0.00 C ATOM 210 O VAL A 140 -3.214 11.104 -9.115 1.00 0.00 O ATOM 211 CB VAL A 140 -4.103 8.934 -7.098 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.466 9.788 -5.890 1.00 0.00 C ATOM 213 CG2 VAL A 140 -5.137 9.091 -8.203 1.00 0.00 C ATOM 0 H VAL A 140 -2.034 9.084 -5.635 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.436 8.691 -8.473 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.096 7.888 -6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.461 9.516 -5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.741 9.619 -5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.457 10.841 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -6.122 8.825 -7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -5.149 10.126 -8.546 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -4.882 8.435 -9.036 1.00 0.00 H new ATOM 223 N SER A 141 -2.196 11.650 -7.188 1.00 0.00 N ATOM 224 CA SER A 141 -2.184 13.080 -7.485 1.00 0.00 C ATOM 225 C SER A 141 -1.057 13.441 -8.447 1.00 0.00 C ATOM 226 O SER A 141 -0.033 12.764 -8.503 1.00 0.00 O ATOM 227 CB SER A 141 -2.040 13.887 -6.193 1.00 0.00 C ATOM 228 OG SER A 141 -3.308 14.198 -5.641 1.00 0.00 O ATOM 0 H SER A 141 -1.780 11.400 -6.291 1.00 0.00 H new ATOM 0 HA SER A 141 -3.132 13.327 -7.964 1.00 0.00 H new ATOM 0 HB2 SER A 141 -1.454 13.320 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 141 -1.492 14.807 -6.395 1.00 0.00 H new ATOM 0 HG SER A 141 -3.188 14.712 -4.815 1.00 0.00 H new ATOM 234 N GLY A 142 -1.264 14.516 -9.206 1.00 0.00 N ATOM 235 CA GLY A 142 -0.266 14.958 -10.164 1.00 0.00 C ATOM 236 C GLY A 142 1.003 15.458 -9.499 1.00 0.00 C ATOM 237 O GLY A 142 2.076 14.891 -9.707 1.00 0.00 O ATOM 0 H GLY A 142 -2.107 15.089 -9.173 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -0.020 14.133 -10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -0.686 15.753 -10.780 1.00 0.00 H new ATOM 241 N PRO A 143 0.919 16.525 -8.685 1.00 0.00 N ATOM 242 CA PRO A 143 2.085 17.083 -7.993 1.00 0.00 C ATOM 243 C PRO A 143 2.837 16.025 -7.192 1.00 0.00 C ATOM 244 O PRO A 143 4.026 16.174 -6.912 1.00 0.00 O ATOM 245 CB PRO A 143 1.488 18.147 -7.057 1.00 0.00 C ATOM 246 CG PRO A 143 0.017 17.888 -7.043 1.00 0.00 C ATOM 247 CD PRO A 143 -0.308 17.268 -8.369 1.00 0.00 C ATOM 0 HA PRO A 143 2.816 17.488 -8.693 1.00 0.00 H new ATOM 0 HB2 PRO A 143 1.910 18.069 -6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.706 19.153 -7.417 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.254 17.221 -6.224 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -0.540 18.813 -6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.175 16.611 -8.307 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.532 18.021 -9.125 1.00 0.00 H new ATOM 255 N PHE A 144 2.136 14.956 -6.827 1.00 0.00 N ATOM 256 CA PHE A 144 2.739 13.869 -6.062 1.00 0.00 C ATOM 257 C PHE A 144 2.868 12.600 -6.904 1.00 0.00 C ATOM 258 O PHE A 144 3.297 11.561 -6.402 1.00 0.00 O ATOM 259 CB PHE A 144 1.895 13.565 -4.821 1.00 0.00 C ATOM 260 CG PHE A 144 1.509 14.778 -4.027 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.417 15.799 -3.801 1.00 0.00 C ATOM 262 CD2 PHE A 144 0.231 14.892 -3.503 1.00 0.00 C ATOM 263 CE1 PHE A 144 2.057 16.914 -3.066 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.135 16.002 -2.768 1.00 0.00 C ATOM 265 CZ PHE A 144 0.779 17.016 -2.550 1.00 0.00 C ATOM 0 H PHE A 144 1.150 14.819 -7.048 1.00 0.00 H new ATOM 0 HA PHE A 144 3.736 14.191 -5.762 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.989 13.044 -5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.450 12.884 -4.176 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.417 15.724 -4.203 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.487 14.103 -3.672 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.774 17.704 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.134 16.078 -2.364 1.00 0.00 H new ATOM 0 HZ PHE A 144 0.495 17.886 -1.977 1.00 0.00 H new ATOM 275 N ALA A 145 2.482 12.678 -8.176 1.00 0.00 N ATOM 276 CA ALA A 145 2.541 11.525 -9.069 1.00 0.00 C ATOM 277 C ALA A 145 3.975 11.137 -9.427 1.00 0.00 C ATOM 278 O ALA A 145 4.297 10.930 -10.598 1.00 0.00 O ATOM 279 CB ALA A 145 1.738 11.799 -10.334 1.00 0.00 C ATOM 0 H ALA A 145 2.125 13.529 -8.611 1.00 0.00 H new ATOM 0 HA ALA A 145 2.104 10.681 -8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 145 1.789 10.932 -10.993 1.00 0.00 H new ATOM 0 HB2 ALA A 145 0.698 11.993 -10.070 1.00 0.00 H new ATOM 0 HB3 ALA A 145 2.151 12.668 -10.846 1.00 0.00 H new ATOM 285 N ASP A 146 4.829 11.023 -8.418 1.00 0.00 N ATOM 286 CA ASP A 146 6.218 10.640 -8.633 1.00 0.00 C ATOM 287 C ASP A 146 6.834 10.122 -7.341 1.00 0.00 C ATOM 288 O ASP A 146 8.037 10.247 -7.114 1.00 0.00 O ATOM 289 CB ASP A 146 7.029 11.818 -9.176 1.00 0.00 C ATOM 290 CG ASP A 146 6.920 13.048 -8.296 1.00 0.00 C ATOM 291 OD1 ASP A 146 5.795 13.369 -7.860 1.00 0.00 O ATOM 292 OD2 ASP A 146 7.960 13.692 -8.045 1.00 0.00 O ATOM 0 H ASP A 146 4.584 11.190 -7.442 1.00 0.00 H new ATOM 0 HA ASP A 146 6.240 9.840 -9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 146 8.076 11.527 -9.261 1.00 0.00 H new ATOM 0 HB3 ASP A 146 6.683 12.061 -10.181 1.00 0.00 H new ATOM 297 N PHE A 147 5.990 9.535 -6.507 1.00 0.00 N ATOM 298 CA PHE A 147 6.416 8.980 -5.231 1.00 0.00 C ATOM 299 C PHE A 147 5.526 7.808 -4.845 1.00 0.00 C ATOM 300 O PHE A 147 4.339 7.789 -5.172 1.00 0.00 O ATOM 301 CB PHE A 147 6.362 10.045 -4.130 1.00 0.00 C ATOM 302 CG PHE A 147 6.889 11.389 -4.545 1.00 0.00 C ATOM 303 CD1 PHE A 147 8.241 11.574 -4.788 1.00 0.00 C ATOM 304 CD2 PHE A 147 6.032 12.467 -4.688 1.00 0.00 C ATOM 305 CE1 PHE A 147 8.726 12.812 -5.167 1.00 0.00 C ATOM 306 CE2 PHE A 147 6.511 13.706 -5.067 1.00 0.00 C ATOM 307 CZ PHE A 147 7.861 13.879 -5.307 1.00 0.00 C ATOM 0 H PHE A 147 4.993 9.430 -6.694 1.00 0.00 H new ATOM 0 HA PHE A 147 7.445 8.635 -5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 147 5.329 10.158 -3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.934 9.693 -3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 147 8.922 10.743 -4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 147 4.976 12.338 -4.501 1.00 0.00 H new ATOM 0 HE1 PHE A 147 9.781 12.944 -5.354 1.00 0.00 H new ATOM 0 HE2 PHE A 147 5.831 14.538 -5.176 1.00 0.00 H new ATOM 0 HZ PHE A 147 8.238 14.847 -5.603 1.00 0.00 H new ATOM 317 N THR A 148 6.096 6.834 -4.150 1.00 0.00 N ATOM 318 CA THR A 148 5.335 5.667 -3.727 1.00 0.00 C ATOM 319 C THR A 148 4.964 5.771 -2.252 1.00 0.00 C ATOM 320 O THR A 148 5.469 6.633 -1.535 1.00 0.00 O ATOM 321 CB THR A 148 6.134 4.388 -3.979 1.00 0.00 C ATOM 322 OG1 THR A 148 7.308 4.366 -3.185 1.00 0.00 O ATOM 323 CG2 THR A 148 6.552 4.217 -5.422 1.00 0.00 C ATOM 0 H THR A 148 7.076 6.828 -3.868 1.00 0.00 H new ATOM 0 HA THR A 148 4.417 5.629 -4.313 1.00 0.00 H new ATOM 0 HB THR A 148 5.462 3.571 -3.714 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.805 3.539 -3.359 1.00 0.00 H new ATOM 0 HG21 THR A 148 7.115 3.290 -5.530 1.00 0.00 H new ATOM 0 HG22 THR A 148 5.666 4.180 -6.056 1.00 0.00 H new ATOM 0 HG23 THR A 148 7.177 5.058 -5.722 1.00 0.00 H new ATOM 331 N GLY A 149 4.075 4.889 -1.808 1.00 0.00 N ATOM 332 CA GLY A 149 3.650 4.902 -0.421 1.00 0.00 C ATOM 333 C GLY A 149 3.757 3.539 0.232 1.00 0.00 C ATOM 334 O GLY A 149 3.263 2.547 -0.301 1.00 0.00 O ATOM 0 H GLY A 149 3.642 4.166 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.257 5.616 0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.618 5.249 -0.364 1.00 0.00 H new ATOM 338 N THR A 150 4.405 3.493 1.393 1.00 0.00 N ATOM 339 CA THR A 150 4.575 2.243 2.124 1.00 0.00 C ATOM 340 C THR A 150 3.375 1.979 3.029 1.00 0.00 C ATOM 341 O THR A 150 3.216 2.622 4.067 1.00 0.00 O ATOM 342 CB THR A 150 5.856 2.286 2.959 1.00 0.00 C ATOM 343 OG1 THR A 150 6.877 2.991 2.275 1.00 0.00 O ATOM 344 CG2 THR A 150 6.395 0.912 3.298 1.00 0.00 C ATOM 0 H THR A 150 4.820 4.307 1.847 1.00 0.00 H new ATOM 0 HA THR A 150 4.650 1.433 1.399 1.00 0.00 H new ATOM 0 HB THR A 150 5.581 2.790 3.885 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.636 3.134 2.878 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.304 1.014 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.649 0.359 3.869 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.621 0.373 2.378 1.00 0.00 H new ATOM 352 N VAL A 151 2.534 1.032 2.626 1.00 0.00 N ATOM 353 CA VAL A 151 1.349 0.687 3.399 1.00 0.00 C ATOM 354 C VAL A 151 1.729 0.142 4.772 1.00 0.00 C ATOM 355 O VAL A 151 2.387 -0.892 4.879 1.00 0.00 O ATOM 356 CB VAL A 151 0.483 -0.357 2.666 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.821 -0.591 3.414 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.213 0.079 1.234 1.00 0.00 C ATOM 0 H VAL A 151 2.652 0.491 1.769 1.00 0.00 H new ATOM 0 HA VAL A 151 0.773 1.604 3.521 1.00 0.00 H new ATOM 0 HB VAL A 151 1.032 -1.298 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.418 -1.331 2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.604 -0.955 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.376 0.345 3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.400 -0.672 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.313 1.033 1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.158 0.188 0.702 1.00 0.00 H new ATOM 368 N THR A 152 1.310 0.846 5.817 1.00 0.00 N ATOM 369 CA THR A 152 1.606 0.433 7.184 1.00 0.00 C ATOM 370 C THR A 152 0.478 -0.421 7.751 1.00 0.00 C ATOM 371 O THR A 152 0.721 -1.468 8.351 1.00 0.00 O ATOM 372 CB THR A 152 1.831 1.660 8.072 1.00 0.00 C ATOM 373 OG1 THR A 152 1.076 2.764 7.603 1.00 0.00 O ATOM 374 CG2 THR A 152 3.281 2.091 8.143 1.00 0.00 C ATOM 0 H THR A 152 0.765 1.705 5.744 1.00 0.00 H new ATOM 0 HA THR A 152 2.516 -0.166 7.167 1.00 0.00 H new ATOM 0 HB THR A 152 1.510 1.357 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 152 1.454 3.594 7.960 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.370 2.965 8.788 1.00 0.00 H new ATOM 0 HG22 THR A 152 3.883 1.278 8.549 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.636 2.341 7.143 1.00 0.00 H new ATOM 382 N GLU A 153 -0.756 0.034 7.559 1.00 0.00 N ATOM 383 CA GLU A 153 -1.921 -0.690 8.052 1.00 0.00 C ATOM 384 C GLU A 153 -3.096 -0.549 7.089 1.00 0.00 C ATOM 385 O GLU A 153 -3.200 0.438 6.362 1.00 0.00 O ATOM 386 CB GLU A 153 -2.316 -0.177 9.438 1.00 0.00 C ATOM 387 CG GLU A 153 -1.642 -0.922 10.579 1.00 0.00 C ATOM 388 CD GLU A 153 -2.527 -1.038 11.804 1.00 0.00 C ATOM 389 OE1 GLU A 153 -3.766 -1.055 11.641 1.00 0.00 O ATOM 390 OE2 GLU A 153 -1.982 -1.110 12.925 1.00 0.00 O ATOM 0 H GLU A 153 -0.974 0.900 7.066 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.659 -1.746 8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -2.066 0.882 9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.397 -0.258 9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -1.363 -1.920 10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -0.720 -0.407 10.849 1.00 0.00 H new ATOM 397 N ILE A 154 -3.978 -1.544 7.090 1.00 0.00 N ATOM 398 CA ILE A 154 -5.144 -1.532 6.217 1.00 0.00 C ATOM 399 C ILE A 154 -6.432 -1.396 7.022 1.00 0.00 C ATOM 400 O ILE A 154 -6.520 -1.866 8.156 1.00 0.00 O ATOM 401 CB ILE A 154 -5.221 -2.813 5.363 1.00 0.00 C ATOM 402 CG1 ILE A 154 -3.883 -3.069 4.664 1.00 0.00 C ATOM 403 CG2 ILE A 154 -6.345 -2.706 4.345 1.00 0.00 C ATOM 404 CD1 ILE A 154 -3.453 -4.520 4.697 1.00 0.00 C ATOM 0 H ILE A 154 -3.906 -2.368 7.686 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.036 -0.670 5.558 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.433 -3.656 6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -3.956 -2.743 3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -3.113 -2.459 5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -6.385 -3.619 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.294 -2.568 4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -6.163 -1.854 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -2.498 -4.628 4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -3.348 -4.845 5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -4.204 -5.133 4.199 1.00 0.00 H new ATOM 416 N ASN A 155 -7.429 -0.747 6.429 1.00 0.00 N ATOM 417 CA ASN A 155 -8.714 -0.548 7.092 1.00 0.00 C ATOM 418 C ASN A 155 -9.843 -1.206 6.299 1.00 0.00 C ATOM 419 O ASN A 155 -10.520 -0.550 5.507 1.00 0.00 O ATOM 420 CB ASN A 155 -8.994 0.947 7.265 1.00 0.00 C ATOM 421 CG ASN A 155 -9.394 1.299 8.684 1.00 0.00 C ATOM 422 OD1 ASN A 155 -9.887 0.453 9.432 1.00 0.00 O ATOM 423 ND2 ASN A 155 -9.183 2.554 9.064 1.00 0.00 N ATOM 0 H ASN A 155 -7.372 -0.350 5.491 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.667 -1.016 8.075 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.105 1.515 6.989 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -9.788 1.247 6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -9.432 2.850 10.008 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -8.772 3.222 8.412 1.00 0.00 H new ATOM 430 N PRO A 156 -10.060 -2.516 6.501 1.00 0.00 N ATOM 431 CA PRO A 156 -11.113 -3.259 5.801 1.00 0.00 C ATOM 432 C PRO A 156 -12.505 -2.911 6.314 1.00 0.00 C ATOM 433 O PRO A 156 -13.459 -2.827 5.540 1.00 0.00 O ATOM 434 CB PRO A 156 -10.777 -4.718 6.112 1.00 0.00 C ATOM 435 CG PRO A 156 -10.064 -4.671 7.418 1.00 0.00 C ATOM 436 CD PRO A 156 -9.298 -3.376 7.427 1.00 0.00 C ATOM 0 HA PRO A 156 -11.138 -3.030 4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.679 -5.327 6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.151 -5.155 5.334 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -10.768 -4.713 8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.392 -5.522 7.526 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.251 -2.945 8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.271 -3.516 7.091 1.00 0.00 H new ATOM 444 N GLU A 157 -12.614 -2.710 7.623 1.00 0.00 N ATOM 445 CA GLU A 157 -13.891 -2.372 8.242 1.00 0.00 C ATOM 446 C GLU A 157 -14.443 -1.068 7.671 1.00 0.00 C ATOM 447 O GLU A 157 -15.571 -1.021 7.182 1.00 0.00 O ATOM 448 CB GLU A 157 -13.730 -2.255 9.759 1.00 0.00 C ATOM 449 CG GLU A 157 -14.587 -3.239 10.539 1.00 0.00 C ATOM 450 CD GLU A 157 -13.890 -3.760 11.781 1.00 0.00 C ATOM 451 OE1 GLU A 157 -13.209 -2.962 12.460 1.00 0.00 O ATOM 452 OE2 GLU A 157 -14.026 -4.966 12.076 1.00 0.00 O ATOM 0 H GLU A 157 -11.833 -2.775 8.276 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.599 -3.171 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -12.683 -2.413 10.018 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -13.985 -1.241 10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -15.520 -2.755 10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -14.849 -4.078 9.894 1.00 0.00 H new ATOM 459 N ARG A 158 -13.639 -0.012 7.740 1.00 0.00 N ATOM 460 CA ARG A 158 -14.046 1.293 7.231 1.00 0.00 C ATOM 461 C ARG A 158 -13.886 1.363 5.716 1.00 0.00 C ATOM 462 O ARG A 158 -14.870 1.451 4.982 1.00 0.00 O ATOM 463 CB ARG A 158 -13.224 2.399 7.894 1.00 0.00 C ATOM 464 CG ARG A 158 -13.981 3.707 8.051 1.00 0.00 C ATOM 465 CD ARG A 158 -13.396 4.560 9.165 1.00 0.00 C ATOM 466 NE ARG A 158 -14.304 5.631 9.571 1.00 0.00 N ATOM 467 CZ ARG A 158 -14.539 6.719 8.841 1.00 0.00 C ATOM 468 NH1 ARG A 158 -13.939 6.882 7.669 1.00 0.00 N ATOM 469 NH2 ARG A 158 -15.379 7.644 9.284 1.00 0.00 N ATOM 0 H ARG A 158 -12.702 -0.034 8.143 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.099 1.436 7.472 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.897 2.058 8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -12.326 2.577 7.303 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -13.950 4.261 7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -15.029 3.498 8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -13.173 3.929 10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -12.452 4.992 8.833 1.00 0.00 H new ATOM 0 HE ARG A 158 -14.785 5.539 10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -13.294 6.172 7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -14.123 7.718 7.114 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -15.844 7.522 10.183 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -15.560 8.478 8.726 1.00 0.00 H new ATOM 483 N GLY A 159 -12.640 1.323 5.253 1.00 0.00 N ATOM 484 CA GLY A 159 -12.375 1.384 3.828 1.00 0.00 C ATOM 485 C GLY A 159 -11.331 2.426 3.476 1.00 0.00 C ATOM 486 O GLY A 159 -11.605 3.356 2.716 1.00 0.00 O ATOM 0 H GLY A 159 -11.809 1.249 5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -12.039 0.406 3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.301 1.609 3.299 1.00 0.00 H new ATOM 490 N LYS A 160 -10.134 2.273 4.030 1.00 0.00 N ATOM 491 CA LYS A 160 -9.046 3.209 3.771 1.00 0.00 C ATOM 492 C LYS A 160 -7.693 2.543 3.994 1.00 0.00 C ATOM 493 O LYS A 160 -7.620 1.361 4.331 1.00 0.00 O ATOM 494 CB LYS A 160 -9.177 4.439 4.671 1.00 0.00 C ATOM 495 CG LYS A 160 -10.302 5.376 4.260 1.00 0.00 C ATOM 496 CD LYS A 160 -9.957 6.826 4.560 1.00 0.00 C ATOM 497 CE LYS A 160 -10.417 7.234 5.951 1.00 0.00 C ATOM 498 NZ LYS A 160 -11.661 8.050 5.907 1.00 0.00 N ATOM 0 H LYS A 160 -9.892 1.510 4.662 1.00 0.00 H new ATOM 0 HA LYS A 160 -9.110 3.523 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.344 4.112 5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.236 4.988 4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -10.502 5.261 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -11.216 5.102 4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -8.880 6.969 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -10.424 7.473 3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -10.589 6.342 6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -9.627 7.802 6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -11.941 8.308 6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -11.490 8.914 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -12.422 7.499 5.461 1.00 0.00 H new ATOM 512 N VAL A 161 -6.623 3.309 3.805 1.00 0.00 N ATOM 513 CA VAL A 161 -5.273 2.791 3.988 1.00 0.00 C ATOM 514 C VAL A 161 -4.302 3.914 4.334 1.00 0.00 C ATOM 515 O VAL A 161 -4.573 5.087 4.078 1.00 0.00 O ATOM 516 CB VAL A 161 -4.780 2.039 2.728 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.196 2.775 1.464 1.00 0.00 C ATOM 518 CG2 VAL A 161 -3.270 1.824 2.752 1.00 0.00 C ATOM 0 H VAL A 161 -6.665 4.289 3.526 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.307 2.085 4.818 1.00 0.00 H new ATOM 0 HB VAL A 161 -5.252 1.056 2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -4.839 2.229 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -6.283 2.848 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -4.765 3.776 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -2.964 1.293 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -2.766 2.789 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -3.000 1.236 3.629 1.00 0.00 H new ATOM 528 N LYS A 162 -3.175 3.540 4.918 1.00 0.00 N ATOM 529 CA LYS A 162 -2.155 4.507 5.307 1.00 0.00 C ATOM 530 C LYS A 162 -0.810 4.162 4.679 1.00 0.00 C ATOM 531 O LYS A 162 -0.329 3.035 4.798 1.00 0.00 O ATOM 532 CB LYS A 162 -2.022 4.555 6.830 1.00 0.00 C ATOM 533 CG LYS A 162 -1.074 5.636 7.320 1.00 0.00 C ATOM 534 CD LYS A 162 -0.830 5.529 8.817 1.00 0.00 C ATOM 535 CE LYS A 162 -0.783 6.897 9.475 1.00 0.00 C ATOM 536 NZ LYS A 162 -1.518 6.917 10.770 1.00 0.00 N ATOM 0 H LYS A 162 -2.941 2.571 5.135 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.464 5.488 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.006 4.720 7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.672 3.586 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.125 5.557 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.488 6.617 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.620 4.932 9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 162 0.109 5.006 8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 162 0.255 7.184 9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -1.214 7.638 8.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -1.462 7.868 11.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -2.515 6.669 10.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -1.092 6.228 11.422 1.00 0.00 H new ATOM 550 N VAL A 163 -0.207 5.140 4.010 1.00 0.00 N ATOM 551 CA VAL A 163 1.083 4.942 3.362 1.00 0.00 C ATOM 552 C VAL A 163 2.014 6.121 3.617 1.00 0.00 C ATOM 553 O VAL A 163 1.566 7.230 3.902 1.00 0.00 O ATOM 554 CB VAL A 163 0.923 4.750 1.843 1.00 0.00 C ATOM 555 CG1 VAL A 163 0.252 3.420 1.539 1.00 0.00 C ATOM 556 CG2 VAL A 163 0.136 5.903 1.239 1.00 0.00 C ATOM 0 H VAL A 163 -0.592 6.078 3.903 1.00 0.00 H new ATOM 0 HA VAL A 163 1.518 4.040 3.793 1.00 0.00 H new ATOM 0 HB VAL A 163 1.915 4.741 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 163 0.148 3.303 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.860 2.607 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -0.734 3.395 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.033 5.750 0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.853 5.947 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.663 6.839 1.423 1.00 0.00 H new ATOM 566 N MET A 164 3.317 5.873 3.511 1.00 0.00 N ATOM 567 CA MET A 164 4.313 6.916 3.729 1.00 0.00 C ATOM 568 C MET A 164 4.936 7.362 2.409 1.00 0.00 C ATOM 569 O MET A 164 5.538 6.562 1.694 1.00 0.00 O ATOM 570 CB MET A 164 5.402 6.416 4.685 1.00 0.00 C ATOM 571 CG MET A 164 6.347 5.401 4.061 1.00 0.00 C ATOM 572 SD MET A 164 7.239 4.434 5.295 1.00 0.00 S ATOM 573 CE MET A 164 8.489 5.609 5.806 1.00 0.00 C ATOM 0 H MET A 164 3.706 4.960 3.276 1.00 0.00 H new ATOM 0 HA MET A 164 3.813 7.775 4.177 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.982 7.269 5.039 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.928 5.968 5.559 1.00 0.00 H new ATOM 0 HG2 MET A 164 5.779 4.728 3.419 1.00 0.00 H new ATOM 0 HG3 MET A 164 7.063 5.920 3.424 1.00 0.00 H new ATOM 0 HE1 MET A 164 8.808 5.382 6.823 1.00 0.00 H new ATOM 0 HE2 MET A 164 9.345 5.545 5.134 1.00 0.00 H new ATOM 0 HE3 MET A 164 8.076 6.617 5.772 1.00 0.00 H new ATOM 583 N VAL A 165 4.787 8.645 2.091 1.00 0.00 N ATOM 584 CA VAL A 165 5.335 9.195 0.856 1.00 0.00 C ATOM 585 C VAL A 165 6.376 10.268 1.148 1.00 0.00 C ATOM 586 O VAL A 165 6.339 10.915 2.194 1.00 0.00 O ATOM 587 CB VAL A 165 4.233 9.798 -0.038 1.00 0.00 C ATOM 588 CG1 VAL A 165 4.713 9.903 -1.475 1.00 0.00 C ATOM 589 CG2 VAL A 165 2.956 8.975 0.045 1.00 0.00 C ATOM 0 H VAL A 165 4.292 9.322 2.671 1.00 0.00 H new ATOM 0 HA VAL A 165 5.805 8.366 0.327 1.00 0.00 H new ATOM 0 HB VAL A 165 4.010 10.801 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 165 3.923 10.331 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 165 5.594 10.543 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 165 4.967 8.911 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.194 9.421 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 165 3.157 7.956 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 165 2.601 8.958 1.075 1.00 0.00 H new ATOM 599 N THR A 166 7.303 10.457 0.215 1.00 0.00 N ATOM 600 CA THR A 166 8.354 11.455 0.373 1.00 0.00 C ATOM 601 C THR A 166 8.032 12.716 -0.422 1.00 0.00 C ATOM 602 O THR A 166 7.486 12.644 -1.523 1.00 0.00 O ATOM 603 CB THR A 166 9.700 10.885 -0.077 1.00 0.00 C ATOM 604 OG1 THR A 166 9.820 9.525 0.304 1.00 0.00 O ATOM 605 CG2 THR A 166 10.887 11.629 0.496 1.00 0.00 C ATOM 0 H THR A 166 7.348 9.932 -0.658 1.00 0.00 H new ATOM 0 HA THR A 166 8.413 11.718 1.429 1.00 0.00 H new ATOM 0 HB THR A 166 9.713 10.995 -1.161 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.686 9.177 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.810 11.173 0.137 1.00 0.00 H new ATOM 0 HG22 THR A 166 10.850 12.671 0.180 1.00 0.00 H new ATOM 0 HG23 THR A 166 10.857 11.579 1.584 1.00 0.00 H new ATOM 613 N ILE A 167 8.373 13.869 0.142 1.00 0.00 N ATOM 614 CA ILE A 167 8.119 15.146 -0.518 1.00 0.00 C ATOM 615 C ILE A 167 9.009 16.247 0.052 1.00 0.00 C ATOM 616 O ILE A 167 9.614 17.017 -0.694 1.00 0.00 O ATOM 617 CB ILE A 167 6.636 15.560 -0.383 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.345 16.813 -1.224 1.00 0.00 C ATOM 619 CG2 ILE A 167 6.268 15.779 1.078 1.00 0.00 C ATOM 620 CD1 ILE A 167 6.811 18.113 -0.599 1.00 0.00 C ATOM 0 H ILE A 167 8.825 13.947 1.053 1.00 0.00 H new ATOM 0 HA ILE A 167 8.353 15.014 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 167 6.016 14.749 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 167 6.823 16.701 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 167 5.271 16.874 -1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 167 5.220 16.070 1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 167 6.428 14.856 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 167 6.893 16.568 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 167 6.565 18.944 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 167 6.314 18.254 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 167 7.890 18.078 -0.447 1.00 0.00 H new ATOM 632 N PHE A 168 9.089 16.313 1.376 1.00 0.00 N ATOM 633 CA PHE A 168 9.907 17.320 2.043 1.00 0.00 C ATOM 634 C PHE A 168 11.265 16.747 2.437 1.00 0.00 C ATOM 635 O PHE A 168 11.821 17.102 3.477 1.00 0.00 O ATOM 636 CB PHE A 168 9.186 17.859 3.281 1.00 0.00 C ATOM 637 CG PHE A 168 8.559 16.787 4.126 1.00 0.00 C ATOM 638 CD1 PHE A 168 9.347 15.914 4.858 1.00 0.00 C ATOM 639 CD2 PHE A 168 7.181 16.653 4.188 1.00 0.00 C ATOM 640 CE1 PHE A 168 8.772 14.926 5.635 1.00 0.00 C ATOM 641 CE2 PHE A 168 6.601 15.668 4.964 1.00 0.00 C ATOM 642 CZ PHE A 168 7.397 14.804 5.689 1.00 0.00 C ATOM 0 H PHE A 168 8.598 15.682 2.009 1.00 0.00 H new ATOM 0 HA PHE A 168 10.070 18.139 1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 168 9.896 18.420 3.889 1.00 0.00 H new ATOM 0 HB3 PHE A 168 8.413 18.559 2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 168 10.422 16.006 4.821 1.00 0.00 H new ATOM 0 HD2 PHE A 168 6.553 17.326 3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 168 9.397 14.250 6.199 1.00 0.00 H new ATOM 0 HE2 PHE A 168 5.526 15.574 5.003 1.00 0.00 H new ATOM 0 HZ PHE A 168 6.946 14.034 6.297 1.00 0.00 H new ATOM 652 N GLY A 169 11.793 15.861 1.602 1.00 0.00 N ATOM 653 CA GLY A 169 13.080 15.252 1.881 1.00 0.00 C ATOM 654 C GLY A 169 12.947 13.898 2.547 1.00 0.00 C ATOM 655 O GLY A 169 13.787 13.019 2.358 1.00 0.00 O ATOM 0 H GLY A 169 11.353 15.553 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.636 15.143 0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 169 13.660 15.914 2.523 1.00 0.00 H new ATOM 659 N ARG A 170 11.885 13.729 3.330 1.00 0.00 N ATOM 660 CA ARG A 170 11.642 12.472 4.027 1.00 0.00 C ATOM 661 C ARG A 170 10.208 12.001 3.805 1.00 0.00 C ATOM 662 O ARG A 170 9.413 12.680 3.154 1.00 0.00 O ATOM 663 CB ARG A 170 11.916 12.636 5.525 1.00 0.00 C ATOM 664 CG ARG A 170 12.991 11.698 6.050 1.00 0.00 C ATOM 665 CD ARG A 170 14.353 12.374 6.089 1.00 0.00 C ATOM 666 NE ARG A 170 15.008 12.212 7.384 1.00 0.00 N ATOM 667 CZ ARG A 170 14.713 12.937 8.461 1.00 0.00 C ATOM 668 NH1 ARG A 170 13.774 13.873 8.401 1.00 0.00 N ATOM 669 NH2 ARG A 170 15.355 12.723 9.602 1.00 0.00 N ATOM 0 H ARG A 170 11.180 14.447 3.497 1.00 0.00 H new ATOM 0 HA ARG A 170 12.319 11.719 3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 170 12.216 13.666 5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 170 10.992 12.462 6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 170 12.723 11.360 7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 170 13.042 10.812 5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 170 14.987 11.956 5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 170 14.237 13.436 5.872 1.00 0.00 H new ATOM 0 HE ARG A 170 15.735 11.501 7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 170 13.275 14.039 7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 170 13.551 14.426 9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 170 16.075 12.003 9.655 1.00 0.00 H new ATOM 0 HH22 ARG A 170 15.128 13.279 10.427 1.00 0.00 H new ATOM 683 N GLU A 171 9.885 10.832 4.350 1.00 0.00 N ATOM 684 CA GLU A 171 8.547 10.268 4.211 1.00 0.00 C ATOM 685 C GLU A 171 7.529 11.080 5.007 1.00 0.00 C ATOM 686 O GLU A 171 7.898 11.928 5.819 1.00 0.00 O ATOM 687 CB GLU A 171 8.534 8.812 4.680 1.00 0.00 C ATOM 688 CG GLU A 171 9.504 7.921 3.922 1.00 0.00 C ATOM 689 CD GLU A 171 10.808 7.713 4.668 1.00 0.00 C ATOM 690 OE1 GLU A 171 10.767 7.175 5.795 1.00 0.00 O ATOM 691 OE2 GLU A 171 11.869 8.087 4.126 1.00 0.00 O ATOM 0 H GLU A 171 10.531 10.258 4.891 1.00 0.00 H new ATOM 0 HA GLU A 171 8.271 10.306 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 171 8.777 8.779 5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 171 7.526 8.413 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 171 9.036 6.954 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 171 9.713 8.364 2.948 1.00 0.00 H new ATOM 698 N THR A 172 6.249 10.814 4.769 1.00 0.00 N ATOM 699 CA THR A 172 5.181 11.522 5.463 1.00 0.00 C ATOM 700 C THR A 172 3.964 10.615 5.658 1.00 0.00 C ATOM 701 O THR A 172 3.436 10.061 4.695 1.00 0.00 O ATOM 702 CB THR A 172 4.777 12.773 4.679 1.00 0.00 C ATOM 703 OG1 THR A 172 3.819 13.528 5.398 1.00 0.00 O ATOM 704 CG2 THR A 172 4.192 12.465 3.317 1.00 0.00 C ATOM 0 H THR A 172 5.927 10.114 4.101 1.00 0.00 H new ATOM 0 HA THR A 172 5.553 11.820 6.444 1.00 0.00 H new ATOM 0 HB THR A 172 5.700 13.336 4.540 1.00 0.00 H new ATOM 0 HG1 THR A 172 3.575 14.324 4.881 1.00 0.00 H new ATOM 0 HG21 THR A 172 3.927 13.396 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 172 4.927 11.927 2.719 1.00 0.00 H new ATOM 0 HG23 THR A 172 3.300 11.850 3.435 1.00 0.00 H new ATOM 712 N PRO A 173 3.500 10.451 6.911 1.00 0.00 N ATOM 713 CA PRO A 173 2.341 9.606 7.216 1.00 0.00 C ATOM 714 C PRO A 173 1.031 10.228 6.746 1.00 0.00 C ATOM 715 O PRO A 173 0.453 11.072 7.431 1.00 0.00 O ATOM 716 CB PRO A 173 2.368 9.506 8.741 1.00 0.00 C ATOM 717 CG PRO A 173 3.049 10.751 9.189 1.00 0.00 C ATOM 718 CD PRO A 173 4.065 11.072 8.125 1.00 0.00 C ATOM 0 HA PRO A 173 2.395 8.642 6.711 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.361 9.436 9.151 1.00 0.00 H new ATOM 0 HB3 PRO A 173 2.908 8.619 9.070 1.00 0.00 H new ATOM 0 HG2 PRO A 173 2.335 11.566 9.306 1.00 0.00 H new ATOM 0 HG3 PRO A 173 3.529 10.607 10.157 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.193 12.148 8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.045 10.660 8.368 1.00 0.00 H new ATOM 726 N VAL A 174 0.568 9.807 5.573 1.00 0.00 N ATOM 727 CA VAL A 174 -0.675 10.325 5.013 1.00 0.00 C ATOM 728 C VAL A 174 -1.675 9.204 4.764 1.00 0.00 C ATOM 729 O VAL A 174 -1.334 8.171 4.186 1.00 0.00 O ATOM 730 CB VAL A 174 -0.432 11.072 3.685 1.00 0.00 C ATOM 731 CG1 VAL A 174 -1.669 11.857 3.281 1.00 0.00 C ATOM 732 CG2 VAL A 174 0.778 11.988 3.793 1.00 0.00 C ATOM 0 H VAL A 174 1.034 9.110 4.993 1.00 0.00 H new ATOM 0 HA VAL A 174 -1.080 11.021 5.747 1.00 0.00 H new ATOM 0 HB VAL A 174 -0.227 10.334 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -1.479 12.377 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -2.508 11.173 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -1.908 12.584 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 174 0.930 12.504 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 174 0.610 12.721 4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 174 1.662 11.396 4.029 1.00 0.00 H new ATOM 742 N GLU A 175 -2.915 9.415 5.191 1.00 0.00 N ATOM 743 CA GLU A 175 -3.966 8.423 5.001 1.00 0.00 C ATOM 744 C GLU A 175 -4.508 8.499 3.578 1.00 0.00 C ATOM 745 O GLU A 175 -4.933 9.561 3.121 1.00 0.00 O ATOM 746 CB GLU A 175 -5.096 8.639 6.010 1.00 0.00 C ATOM 747 CG GLU A 175 -5.581 10.076 6.086 1.00 0.00 C ATOM 748 CD GLU A 175 -6.891 10.210 6.836 1.00 0.00 C ATOM 749 OE1 GLU A 175 -7.906 9.662 6.360 1.00 0.00 O ATOM 750 OE2 GLU A 175 -6.902 10.865 7.901 1.00 0.00 O ATOM 0 H GLU A 175 -3.217 10.263 5.671 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.542 7.432 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.935 7.995 5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.754 8.328 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -4.822 10.686 6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -5.703 10.468 5.076 1.00 0.00 H new ATOM 757 N LEU A 176 -4.475 7.372 2.874 1.00 0.00 N ATOM 758 CA LEU A 176 -4.948 7.322 1.496 1.00 0.00 C ATOM 759 C LEU A 176 -5.962 6.214 1.293 1.00 0.00 C ATOM 760 O LEU A 176 -6.416 5.580 2.245 1.00 0.00 O ATOM 761 CB LEU A 176 -3.780 7.073 0.544 1.00 0.00 C ATOM 762 CG LEU A 176 -3.233 8.318 -0.159 1.00 0.00 C ATOM 763 CD1 LEU A 176 -4.353 9.072 -0.859 1.00 0.00 C ATOM 764 CD2 LEU A 176 -2.522 9.220 0.838 1.00 0.00 C ATOM 0 H LEU A 176 -4.127 6.484 3.234 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.418 8.283 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -2.969 6.606 1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.097 6.357 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.512 8.001 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -3.945 9.954 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -4.820 8.424 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -5.098 9.379 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -2.139 10.101 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -3.223 9.529 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -1.694 8.677 1.294 1.00 0.00 H new ATOM 776 N ASP A 177 -6.283 5.973 0.029 1.00 0.00 N ATOM 777 CA ASP A 177 -7.208 4.925 -0.331 1.00 0.00 C ATOM 778 C ASP A 177 -6.761 4.241 -1.616 1.00 0.00 C ATOM 779 O ASP A 177 -6.076 4.837 -2.447 1.00 0.00 O ATOM 780 CB ASP A 177 -8.628 5.474 -0.486 1.00 0.00 C ATOM 781 CG ASP A 177 -8.962 6.540 0.540 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.254 7.567 0.578 1.00 0.00 O ATOM 783 OD2 ASP A 177 -9.930 6.345 1.305 1.00 0.00 O ATOM 0 H ASP A 177 -5.910 6.496 -0.763 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.215 4.190 0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.744 5.890 -1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.341 4.654 -0.397 1.00 0.00 H new ATOM 788 N PHE A 178 -7.146 2.980 -1.761 1.00 0.00 N ATOM 789 CA PHE A 178 -6.789 2.184 -2.937 1.00 0.00 C ATOM 790 C PHE A 178 -6.930 2.990 -4.225 1.00 0.00 C ATOM 791 O PHE A 178 -5.969 3.153 -4.976 1.00 0.00 O ATOM 792 CB PHE A 178 -7.663 0.929 -3.014 1.00 0.00 C ATOM 793 CG PHE A 178 -7.783 0.195 -1.708 1.00 0.00 C ATOM 794 CD1 PHE A 178 -6.656 -0.293 -1.067 1.00 0.00 C ATOM 795 CD2 PHE A 178 -9.023 -0.007 -1.122 1.00 0.00 C ATOM 796 CE1 PHE A 178 -6.763 -0.968 0.133 1.00 0.00 C ATOM 797 CE2 PHE A 178 -9.136 -0.681 0.077 1.00 0.00 C ATOM 798 CZ PHE A 178 -8.005 -1.162 0.706 1.00 0.00 C ATOM 0 H PHE A 178 -7.710 2.479 -1.075 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.744 1.893 -2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.659 1.211 -3.355 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -7.249 0.254 -3.763 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -5.683 -0.144 -1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -9.911 0.367 -1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -5.877 -1.344 0.623 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -10.108 -0.832 0.523 1.00 0.00 H new ATOM 0 HZ PHE A 178 -8.091 -1.689 1.645 1.00 0.00 H new ATOM 808 N SER A 179 -8.136 3.492 -4.479 1.00 0.00 N ATOM 809 CA SER A 179 -8.400 4.281 -5.678 1.00 0.00 C ATOM 810 C SER A 179 -7.460 5.480 -5.769 1.00 0.00 C ATOM 811 O SER A 179 -7.226 6.017 -6.852 1.00 0.00 O ATOM 812 CB SER A 179 -9.854 4.758 -5.688 1.00 0.00 C ATOM 813 OG SER A 179 -10.252 5.155 -6.988 1.00 0.00 O ATOM 0 H SER A 179 -8.945 3.366 -3.871 1.00 0.00 H new ATOM 0 HA SER A 179 -8.224 3.643 -6.544 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.505 3.959 -5.334 1.00 0.00 H new ATOM 0 HB3 SER A 179 -9.971 5.593 -4.998 1.00 0.00 H new ATOM 0 HG SER A 179 -11.185 5.454 -6.967 1.00 0.00 H new ATOM 819 N GLN A 180 -6.927 5.901 -4.626 1.00 0.00 N ATOM 820 CA GLN A 180 -6.016 7.039 -4.577 1.00 0.00 C ATOM 821 C GLN A 180 -4.561 6.605 -4.761 1.00 0.00 C ATOM 822 O GLN A 180 -3.644 7.425 -4.679 1.00 0.00 O ATOM 823 CB GLN A 180 -6.172 7.777 -3.246 1.00 0.00 C ATOM 824 CG GLN A 180 -7.296 8.801 -3.244 1.00 0.00 C ATOM 825 CD GLN A 180 -8.607 8.232 -3.754 1.00 0.00 C ATOM 826 OE1 GLN A 180 -9.208 7.364 -3.121 1.00 0.00 O ATOM 827 NE2 GLN A 180 -9.056 8.720 -4.905 1.00 0.00 N ATOM 0 H GLN A 180 -7.111 5.470 -3.720 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.274 7.707 -5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -6.354 7.049 -2.456 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.234 8.279 -3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.438 9.177 -2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -7.009 9.651 -3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -8.525 9.439 -5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -9.932 8.376 -5.298 1.00 0.00 H new ATOM 836 N VAL A 181 -4.350 5.315 -5.012 1.00 0.00 N ATOM 837 CA VAL A 181 -3.005 4.787 -5.206 1.00 0.00 C ATOM 838 C VAL A 181 -3.006 3.628 -6.198 1.00 0.00 C ATOM 839 O VAL A 181 -4.061 3.103 -6.553 1.00 0.00 O ATOM 840 CB VAL A 181 -2.393 4.309 -3.877 1.00 0.00 C ATOM 841 CG1 VAL A 181 -2.096 5.491 -2.969 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.321 3.319 -3.187 1.00 0.00 C ATOM 0 H VAL A 181 -5.092 4.619 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.400 5.602 -5.604 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.453 3.802 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.664 5.133 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.391 6.160 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -3.020 6.029 -2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.872 2.992 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.278 3.799 -2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.478 2.456 -3.834 1.00 0.00 H new ATOM 852 N VAL A 182 -1.818 3.234 -6.638 1.00 0.00 N ATOM 853 CA VAL A 182 -1.680 2.135 -7.587 1.00 0.00 C ATOM 854 C VAL A 182 -0.416 1.329 -7.313 1.00 0.00 C ATOM 855 O VAL A 182 0.601 1.877 -6.888 1.00 0.00 O ATOM 856 CB VAL A 182 -1.644 2.646 -9.040 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.975 3.276 -9.417 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.504 3.635 -9.229 1.00 0.00 C ATOM 0 H VAL A 182 -0.935 3.659 -6.353 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.553 1.495 -7.457 1.00 0.00 H new ATOM 0 HB VAL A 182 -1.471 1.797 -9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.931 3.631 -10.447 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.768 2.534 -9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -3.182 4.115 -8.752 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.494 3.985 -10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.643 4.483 -8.559 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.443 3.146 -9.003 1.00 0.00 H new ATOM 868 N LYS A 183 -0.487 0.026 -7.558 1.00 0.00 N ATOM 869 CA LYS A 183 0.651 -0.857 -7.334 1.00 0.00 C ATOM 870 C LYS A 183 1.829 -0.458 -8.217 1.00 0.00 C ATOM 871 O LYS A 183 1.660 -0.163 -9.400 1.00 0.00 O ATOM 872 CB LYS A 183 0.258 -2.310 -7.608 1.00 0.00 C ATOM 873 CG LYS A 183 0.826 -3.293 -6.597 1.00 0.00 C ATOM 874 CD LYS A 183 0.582 -4.733 -7.021 1.00 0.00 C ATOM 875 CE LYS A 183 0.360 -5.638 -5.821 1.00 0.00 C ATOM 876 NZ LYS A 183 -1.087 -5.915 -5.595 1.00 0.00 N ATOM 0 H LYS A 183 -1.321 -0.443 -7.912 1.00 0.00 H new ATOM 0 HA LYS A 183 0.954 -0.763 -6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -0.829 -2.390 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.599 -2.589 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 183 1.897 -3.122 -6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.371 -3.118 -5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -0.287 -4.778 -7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.435 -5.093 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 183 0.890 -6.578 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 183 0.784 -5.172 -4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -1.197 -6.536 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -1.589 -5.020 -5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -1.486 -6.383 -6.434 1.00 0.00 H new ATOM 890 N ALA A 184 3.024 -0.454 -7.633 1.00 0.00 N ATOM 891 CA ALA A 184 4.231 -0.092 -8.366 1.00 0.00 C ATOM 892 C ALA A 184 4.922 -1.329 -8.927 1.00 0.00 C ATOM 893 O ALA A 184 5.120 -1.388 -10.159 1.00 0.00 O ATOM 894 CB ALA A 184 5.181 0.683 -7.464 1.00 0.00 C ATOM 895 OXT ALA A 184 5.263 -2.229 -8.131 1.00 0.00 O ATOM 0 H ALA A 184 3.181 -0.697 -6.655 1.00 0.00 H new ATOM 0 HA ALA A 184 3.943 0.543 -9.204 1.00 0.00 H new ATOM 0 HB1 ALA A 184 6.079 0.948 -8.023 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.691 1.591 -7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 184 5.455 0.066 -6.608 1.00 0.00 H new