USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 385 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 133 MET CE :methyl -152:sc= -0.274 (180deg=-1.54!) USER MOD Single : A 137 ASN : amide:sc= -1.26! C(o=-1.3!,f=-6.9!) USER MOD Single : A 145 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 153 TYR OH : rot 84:sc= 0.00153 USER MOD Single : A 155 LYS NZ :NH3+ -164:sc= -0.0134 (180deg=-0.231) USER MOD Single : A 156 SER OG : rot -56:sc= 0.502 USER MOD Single : A 159 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0329) USER MOD Single : A 161 SER OG : rot -170:sc= -1.3 USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 86:sc= 1.28 USER MOD Single : A 176 SER OG : rot 180:sc= 0 USER MOD Single : A 177 GLN : amide:sc= 0.181 K(o=0.18,f=-6.9!) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PHE A 128 2.062 -4.613 17.822 1.00 0.00 N ATOM 95 CA PHE A 128 2.250 -3.136 17.842 1.00 0.00 C ATOM 96 C PHE A 128 0.928 -2.449 17.493 1.00 0.00 C ATOM 97 O PHE A 128 0.236 -2.842 16.575 1.00 0.00 O ATOM 98 CB PHE A 128 3.314 -2.744 16.815 1.00 0.00 C ATOM 99 CG PHE A 128 4.585 -3.513 17.087 1.00 0.00 C ATOM 100 CD1 PHE A 128 5.534 -3.003 17.982 1.00 0.00 C ATOM 101 CD2 PHE A 128 4.814 -4.736 16.447 1.00 0.00 C ATOM 102 CE1 PHE A 128 6.712 -3.715 18.235 1.00 0.00 C ATOM 103 CE2 PHE A 128 5.992 -5.449 16.700 1.00 0.00 C ATOM 104 CZ PHE A 128 6.941 -4.939 17.594 1.00 0.00 C ATOM 0 HA PHE A 128 2.571 -2.824 18.836 1.00 0.00 H new ATOM 0 HB2 PHE A 128 2.957 -2.956 15.807 1.00 0.00 H new ATOM 0 HB3 PHE A 128 3.507 -1.672 16.866 1.00 0.00 H new ATOM 0 HD1 PHE A 128 5.357 -2.060 18.477 1.00 0.00 H new ATOM 0 HD2 PHE A 128 4.082 -5.130 15.758 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.444 -3.321 18.924 1.00 0.00 H new ATOM 0 HE2 PHE A 128 6.169 -6.393 16.205 1.00 0.00 H new ATOM 0 HZ PHE A 128 7.850 -5.489 17.789 1.00 0.00 H new ATOM 114 N GLU A 129 0.572 -1.424 18.218 1.00 0.00 N ATOM 115 CA GLU A 129 -0.704 -0.712 17.927 1.00 0.00 C ATOM 116 C GLU A 129 -0.424 0.779 17.733 1.00 0.00 C ATOM 117 O GLU A 129 0.535 1.312 18.254 1.00 0.00 O ATOM 118 CB GLU A 129 -1.672 -0.900 19.099 1.00 0.00 C ATOM 119 CG GLU A 129 -2.664 -2.017 18.765 1.00 0.00 C ATOM 120 CD GLU A 129 -4.084 -1.446 18.743 1.00 0.00 C ATOM 121 OE1 GLU A 129 -4.309 -0.444 19.402 1.00 0.00 O ATOM 122 OE2 GLU A 129 -4.922 -2.021 18.069 1.00 0.00 O ATOM 0 H GLU A 129 1.110 -1.049 18.999 1.00 0.00 H new ATOM 0 HA GLU A 129 -1.148 -1.120 17.019 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -1.119 -1.148 20.005 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -2.207 0.029 19.296 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -2.422 -2.456 17.797 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -2.592 -2.815 19.504 1.00 0.00 H new ATOM 129 N PRO A 130 -1.282 1.461 16.961 1.00 0.00 N ATOM 130 CA PRO A 130 -1.133 2.896 16.688 1.00 0.00 C ATOM 131 C PRO A 130 -0.875 3.693 17.970 1.00 0.00 C ATOM 132 O PRO A 130 -1.528 3.500 18.976 1.00 0.00 O ATOM 133 CB PRO A 130 -2.485 3.291 16.093 1.00 0.00 C ATOM 134 CG PRO A 130 -3.442 2.282 16.632 1.00 0.00 C ATOM 135 CD PRO A 130 -2.669 1.001 16.770 1.00 0.00 C ATOM 0 HA PRO A 130 -0.287 3.101 16.032 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -2.767 4.302 16.387 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.460 3.271 15.003 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.842 2.601 17.595 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -4.291 2.154 15.961 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -3.017 0.410 17.617 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.767 0.375 15.883 1.00 0.00 H new ATOM 143 N GLY A 131 0.073 4.590 17.941 1.00 0.00 N ATOM 144 CA GLY A 131 0.373 5.398 19.157 1.00 0.00 C ATOM 145 C GLY A 131 1.344 4.630 20.056 1.00 0.00 C ATOM 146 O GLY A 131 1.678 5.069 21.139 1.00 0.00 O ATOM 0 H GLY A 131 0.653 4.798 17.128 1.00 0.00 H new ATOM 0 HA2 GLY A 131 0.806 6.356 18.871 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -0.548 5.613 19.699 1.00 0.00 H new ATOM 150 N GLU A 132 1.801 3.488 19.620 1.00 0.00 N ATOM 151 CA GLU A 132 2.749 2.698 20.454 1.00 0.00 C ATOM 152 C GLU A 132 4.185 3.110 20.123 1.00 0.00 C ATOM 153 O GLU A 132 4.547 3.267 18.974 1.00 0.00 O ATOM 154 CB GLU A 132 2.567 1.207 20.160 1.00 0.00 C ATOM 155 CG GLU A 132 3.452 0.389 21.102 1.00 0.00 C ATOM 156 CD GLU A 132 2.918 0.504 22.531 1.00 0.00 C ATOM 157 OE1 GLU A 132 1.737 0.770 22.681 1.00 0.00 O ATOM 158 OE2 GLU A 132 3.700 0.327 23.450 1.00 0.00 O ATOM 0 H GLU A 132 1.559 3.068 18.722 1.00 0.00 H new ATOM 0 HA GLU A 132 2.550 2.888 21.509 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.522 0.925 20.289 1.00 0.00 H new ATOM 0 HB3 GLU A 132 2.828 0.995 19.123 1.00 0.00 H new ATOM 0 HG2 GLU A 132 3.465 -0.655 20.790 1.00 0.00 H new ATOM 0 HG3 GLU A 132 4.480 0.749 21.056 1.00 0.00 H new ATOM 165 N MET A 133 5.006 3.288 21.122 1.00 0.00 N ATOM 166 CA MET A 133 6.417 3.689 20.862 1.00 0.00 C ATOM 167 C MET A 133 7.201 2.485 20.337 1.00 0.00 C ATOM 168 O MET A 133 6.926 1.354 20.686 1.00 0.00 O ATOM 169 CB MET A 133 7.054 4.186 22.161 1.00 0.00 C ATOM 170 CG MET A 133 6.466 5.550 22.531 1.00 0.00 C ATOM 171 SD MET A 133 6.807 6.733 21.204 1.00 0.00 S ATOM 172 CE MET A 133 8.613 6.680 21.313 1.00 0.00 C ATOM 0 H MET A 133 4.761 3.173 22.105 1.00 0.00 H new ATOM 0 HA MET A 133 6.437 4.487 20.120 1.00 0.00 H new ATOM 0 HB2 MET A 133 6.873 3.471 22.964 1.00 0.00 H new ATOM 0 HB3 MET A 133 8.135 4.265 22.041 1.00 0.00 H new ATOM 0 HG2 MET A 133 5.391 5.464 22.689 1.00 0.00 H new ATOM 0 HG3 MET A 133 6.898 5.903 23.467 1.00 0.00 H new ATOM 0 HE1 MET A 133 9.026 7.631 20.978 1.00 0.00 H new ATOM 0 HE2 MET A 133 8.910 6.500 22.346 1.00 0.00 H new ATOM 0 HE3 MET A 133 8.992 5.877 20.681 1.00 0.00 H new ATOM 182 N VAL A 134 8.175 2.718 19.502 1.00 0.00 N ATOM 183 CA VAL A 134 8.975 1.585 18.956 1.00 0.00 C ATOM 184 C VAL A 134 10.454 1.979 18.919 1.00 0.00 C ATOM 185 O VAL A 134 10.822 3.077 19.284 1.00 0.00 O ATOM 186 CB VAL A 134 8.497 1.261 17.538 1.00 0.00 C ATOM 187 CG1 VAL A 134 8.923 -0.161 17.166 1.00 0.00 C ATOM 188 CG2 VAL A 134 6.972 1.369 17.477 1.00 0.00 C ATOM 0 H VAL A 134 8.452 3.643 19.174 1.00 0.00 H new ATOM 0 HA VAL A 134 8.848 0.708 19.591 1.00 0.00 H new ATOM 0 HB VAL A 134 8.940 1.967 16.836 1.00 0.00 H new ATOM 0 HG11 VAL A 134 8.582 -0.391 16.156 1.00 0.00 H new ATOM 0 HG12 VAL A 134 10.009 -0.238 17.209 1.00 0.00 H new ATOM 0 HG13 VAL A 134 8.481 -0.868 17.868 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.631 1.138 16.468 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.529 0.663 18.180 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.668 2.382 17.740 1.00 0.00 H new ATOM 198 N ARG A 135 11.303 1.090 18.480 1.00 0.00 N ATOM 199 CA ARG A 135 12.756 1.414 18.420 1.00 0.00 C ATOM 200 C ARG A 135 13.340 0.893 17.106 1.00 0.00 C ATOM 201 O ARG A 135 12.973 -0.163 16.629 1.00 0.00 O ATOM 202 CB ARG A 135 13.475 0.751 19.596 1.00 0.00 C ATOM 203 CG ARG A 135 14.925 1.238 19.649 1.00 0.00 C ATOM 204 CD ARG A 135 15.639 0.583 20.834 1.00 0.00 C ATOM 205 NE ARG A 135 15.830 -0.868 20.559 1.00 0.00 N ATOM 206 CZ ARG A 135 17.032 -1.373 20.514 1.00 0.00 C ATOM 207 NH1 ARG A 135 17.802 -1.318 21.568 1.00 0.00 N ATOM 208 NH2 ARG A 135 17.466 -1.930 19.417 1.00 0.00 N ATOM 0 H ARG A 135 11.053 0.154 18.161 1.00 0.00 H new ATOM 0 HA ARG A 135 12.890 2.494 18.475 1.00 0.00 H new ATOM 0 HB2 ARG A 135 12.965 0.991 20.529 1.00 0.00 H new ATOM 0 HB3 ARG A 135 13.448 -0.333 19.488 1.00 0.00 H new ATOM 0 HG2 ARG A 135 15.438 0.990 18.719 1.00 0.00 H new ATOM 0 HG3 ARG A 135 14.952 2.323 19.749 1.00 0.00 H new ATOM 0 HD2 ARG A 135 16.604 1.062 21.001 1.00 0.00 H new ATOM 0 HD3 ARG A 135 15.054 0.718 21.744 1.00 0.00 H new ATOM 0 HE ARG A 135 15.020 -1.468 20.406 1.00 0.00 H new ATOM 0 HH11 ARG A 135 17.463 -0.881 22.425 1.00 0.00 H new ATOM 0 HH12 ARG A 135 18.742 -1.713 21.534 1.00 0.00 H new ATOM 0 HH21 ARG A 135 16.865 -1.971 18.594 1.00 0.00 H new ATOM 0 HH22 ARG A 135 18.406 -2.325 19.383 1.00 0.00 H new ATOM 222 N VAL A 136 14.245 1.624 16.515 1.00 0.00 N ATOM 223 CA VAL A 136 14.848 1.168 15.232 1.00 0.00 C ATOM 224 C VAL A 136 16.280 0.686 15.482 1.00 0.00 C ATOM 225 O VAL A 136 17.064 1.349 16.131 1.00 0.00 O ATOM 226 CB VAL A 136 14.869 2.329 14.237 1.00 0.00 C ATOM 227 CG1 VAL A 136 15.396 1.837 12.888 1.00 0.00 C ATOM 228 CG2 VAL A 136 13.449 2.875 14.061 1.00 0.00 C ATOM 0 H VAL A 136 14.592 2.517 16.865 1.00 0.00 H new ATOM 0 HA VAL A 136 14.255 0.349 14.824 1.00 0.00 H new ATOM 0 HB VAL A 136 15.519 3.118 14.614 1.00 0.00 H new ATOM 0 HG11 VAL A 136 15.411 2.665 12.179 1.00 0.00 H new ATOM 0 HG12 VAL A 136 16.406 1.448 13.012 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.747 1.047 12.510 1.00 0.00 H new ATOM 0 HG21 VAL A 136 13.463 3.703 13.352 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.800 2.085 13.684 1.00 0.00 H new ATOM 0 HG23 VAL A 136 13.073 3.226 15.022 1.00 0.00 H new ATOM 238 N ASN A 137 16.625 -0.463 14.969 1.00 0.00 N ATOM 239 CA ASN A 137 18.005 -0.986 15.177 1.00 0.00 C ATOM 240 C ASN A 137 18.701 -1.138 13.823 1.00 0.00 C ATOM 241 O ASN A 137 19.736 -1.765 13.712 1.00 0.00 O ATOM 242 CB ASN A 137 17.935 -2.349 15.871 1.00 0.00 C ATOM 243 CG ASN A 137 17.158 -3.330 14.990 1.00 0.00 C ATOM 244 OD1 ASN A 137 17.314 -3.340 13.786 1.00 0.00 O ATOM 245 ND2 ASN A 137 16.320 -4.162 15.546 1.00 0.00 N ATOM 0 H ASN A 137 16.012 -1.062 14.416 1.00 0.00 H new ATOM 0 HA ASN A 137 18.568 -0.290 15.799 1.00 0.00 H new ATOM 0 HB2 ASN A 137 18.940 -2.727 16.056 1.00 0.00 H new ATOM 0 HB3 ASN A 137 17.448 -2.251 16.841 1.00 0.00 H new ATOM 0 HD21 ASN A 137 15.796 -4.820 14.969 1.00 0.00 H new ATOM 0 HD22 ASN A 137 16.189 -4.154 16.557 1.00 0.00 H new ATOM 252 N ASP A 138 18.141 -0.568 12.791 1.00 0.00 N ATOM 253 CA ASP A 138 18.770 -0.679 11.445 1.00 0.00 C ATOM 254 C ASP A 138 18.400 0.546 10.607 1.00 0.00 C ATOM 255 O ASP A 138 17.553 1.334 10.983 1.00 0.00 O ATOM 256 CB ASP A 138 18.265 -1.945 10.749 1.00 0.00 C ATOM 257 CG ASP A 138 16.739 -1.893 10.644 1.00 0.00 C ATOM 258 OD1 ASP A 138 16.173 -0.877 11.011 1.00 0.00 O ATOM 259 OD2 ASP A 138 16.164 -2.872 10.197 1.00 0.00 O ATOM 0 H ASP A 138 17.275 -0.030 12.822 1.00 0.00 H new ATOM 0 HA ASP A 138 19.853 -0.731 11.553 1.00 0.00 H new ATOM 0 HB2 ASP A 138 18.706 -2.028 9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 138 18.572 -2.828 11.309 1.00 0.00 H new ATOM 264 N GLY A 139 19.025 0.714 9.474 1.00 0.00 N ATOM 265 CA GLY A 139 18.706 1.888 8.614 1.00 0.00 C ATOM 266 C GLY A 139 19.160 3.172 9.314 1.00 0.00 C ATOM 267 O GLY A 139 19.503 3.165 10.479 1.00 0.00 O ATOM 0 H GLY A 139 19.743 0.089 9.107 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.204 1.792 7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 139 17.635 1.928 8.417 1.00 0.00 H new ATOM 271 N PRO A 140 19.158 4.294 8.580 1.00 0.00 N ATOM 272 CA PRO A 140 19.567 5.595 9.124 1.00 0.00 C ATOM 273 C PRO A 140 18.745 5.981 10.357 1.00 0.00 C ATOM 274 O PRO A 140 19.130 6.836 11.128 1.00 0.00 O ATOM 275 CB PRO A 140 19.281 6.567 7.979 1.00 0.00 C ATOM 276 CG PRO A 140 18.211 5.903 7.181 1.00 0.00 C ATOM 277 CD PRO A 140 18.463 4.424 7.288 1.00 0.00 C ATOM 0 HA PRO A 140 20.607 5.593 9.450 1.00 0.00 H new ATOM 0 HB2 PRO A 140 18.952 7.536 8.354 1.00 0.00 H new ATOM 0 HB3 PRO A 140 20.172 6.744 7.377 1.00 0.00 H new ATOM 0 HG2 PRO A 140 17.224 6.158 7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.242 6.229 6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 140 17.534 3.855 7.272 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.075 4.059 6.463 1.00 0.00 H new ATOM 285 N PHE A 141 17.615 5.358 10.546 1.00 0.00 N ATOM 286 CA PHE A 141 16.770 5.689 11.729 1.00 0.00 C ATOM 287 C PHE A 141 17.197 4.827 12.918 1.00 0.00 C ATOM 288 O PHE A 141 16.555 4.816 13.950 1.00 0.00 O ATOM 289 CB PHE A 141 15.301 5.414 11.399 1.00 0.00 C ATOM 290 CG PHE A 141 14.884 6.257 10.217 1.00 0.00 C ATOM 291 CD1 PHE A 141 14.547 7.603 10.401 1.00 0.00 C ATOM 292 CD2 PHE A 141 14.836 5.691 8.937 1.00 0.00 C ATOM 293 CE1 PHE A 141 14.162 8.384 9.305 1.00 0.00 C ATOM 294 CE2 PHE A 141 14.450 6.473 7.841 1.00 0.00 C ATOM 295 CZ PHE A 141 14.112 7.819 8.026 1.00 0.00 C ATOM 0 H PHE A 141 17.240 4.634 9.933 1.00 0.00 H new ATOM 0 HA PHE A 141 16.894 6.742 11.982 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.160 4.357 11.173 1.00 0.00 H new ATOM 0 HB3 PHE A 141 14.675 5.642 12.261 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.584 8.039 11.388 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.096 4.653 8.795 1.00 0.00 H new ATOM 0 HE1 PHE A 141 13.903 9.423 9.447 1.00 0.00 H new ATOM 0 HE2 PHE A 141 14.413 6.038 6.853 1.00 0.00 H new ATOM 0 HZ PHE A 141 13.813 8.421 7.181 1.00 0.00 H new ATOM 305 N ALA A 142 18.274 4.103 12.784 1.00 0.00 N ATOM 306 CA ALA A 142 18.739 3.243 13.909 1.00 0.00 C ATOM 307 C ALA A 142 19.062 4.119 15.120 1.00 0.00 C ATOM 308 O ALA A 142 19.443 5.264 14.986 1.00 0.00 O ATOM 309 CB ALA A 142 19.993 2.478 13.482 1.00 0.00 C ATOM 0 H ALA A 142 18.852 4.070 11.944 1.00 0.00 H new ATOM 0 HA ALA A 142 17.954 2.534 14.173 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.333 1.849 14.305 1.00 0.00 H new ATOM 0 HB2 ALA A 142 19.762 1.853 12.619 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.779 3.186 13.218 1.00 0.00 H new ATOM 315 N ASP A 143 18.913 3.589 16.304 1.00 0.00 N ATOM 316 CA ASP A 143 19.213 4.392 17.522 1.00 0.00 C ATOM 317 C ASP A 143 18.266 5.592 17.587 1.00 0.00 C ATOM 318 O ASP A 143 18.666 6.696 17.901 1.00 0.00 O ATOM 319 CB ASP A 143 20.659 4.887 17.464 1.00 0.00 C ATOM 320 CG ASP A 143 21.606 3.688 17.400 1.00 0.00 C ATOM 321 OD1 ASP A 143 21.159 2.589 17.683 1.00 0.00 O ATOM 322 OD2 ASP A 143 22.763 3.888 17.069 1.00 0.00 O ATOM 0 H ASP A 143 18.597 2.635 16.479 1.00 0.00 H new ATOM 0 HA ASP A 143 19.077 3.772 18.408 1.00 0.00 H new ATOM 0 HB2 ASP A 143 20.802 5.524 16.591 1.00 0.00 H new ATOM 0 HB3 ASP A 143 20.882 5.494 18.341 1.00 0.00 H new ATOM 327 N PHE A 144 17.011 5.387 17.291 1.00 0.00 N ATOM 328 CA PHE A 144 16.040 6.517 17.335 1.00 0.00 C ATOM 329 C PHE A 144 14.669 5.996 17.769 1.00 0.00 C ATOM 330 O PHE A 144 14.199 4.984 17.289 1.00 0.00 O ATOM 331 CB PHE A 144 15.931 7.149 15.946 1.00 0.00 C ATOM 332 CG PHE A 144 17.153 7.993 15.678 1.00 0.00 C ATOM 333 CD1 PHE A 144 17.326 9.208 16.351 1.00 0.00 C ATOM 334 CD2 PHE A 144 18.115 7.560 14.756 1.00 0.00 C ATOM 335 CE1 PHE A 144 18.461 9.991 16.103 1.00 0.00 C ATOM 336 CE2 PHE A 144 19.249 8.343 14.508 1.00 0.00 C ATOM 337 CZ PHE A 144 19.422 9.558 15.182 1.00 0.00 C ATOM 0 H PHE A 144 16.617 4.486 17.021 1.00 0.00 H new ATOM 0 HA PHE A 144 16.385 7.265 18.048 1.00 0.00 H new ATOM 0 HB2 PHE A 144 15.840 6.372 15.188 1.00 0.00 H new ATOM 0 HB3 PHE A 144 15.032 7.762 15.884 1.00 0.00 H new ATOM 0 HD1 PHE A 144 16.584 9.542 17.062 1.00 0.00 H new ATOM 0 HD2 PHE A 144 17.982 6.622 14.237 1.00 0.00 H new ATOM 0 HE1 PHE A 144 18.594 10.928 16.622 1.00 0.00 H new ATOM 0 HE2 PHE A 144 19.990 8.010 13.797 1.00 0.00 H new ATOM 0 HZ PHE A 144 20.297 10.161 14.991 1.00 0.00 H new ATOM 347 N ASN A 145 14.023 6.680 18.673 1.00 0.00 N ATOM 348 CA ASN A 145 12.682 6.224 19.136 1.00 0.00 C ATOM 349 C ASN A 145 11.603 6.804 18.221 1.00 0.00 C ATOM 350 O ASN A 145 11.692 7.933 17.778 1.00 0.00 O ATOM 351 CB ASN A 145 12.447 6.703 20.570 1.00 0.00 C ATOM 352 CG ASN A 145 13.511 6.102 21.491 1.00 0.00 C ATOM 353 OD1 ASN A 145 14.109 5.095 21.170 1.00 0.00 O ATOM 354 ND2 ASN A 145 13.774 6.681 22.630 1.00 0.00 N ATOM 0 H ASN A 145 14.366 7.535 19.111 1.00 0.00 H new ATOM 0 HA ASN A 145 12.638 5.135 19.105 1.00 0.00 H new ATOM 0 HB2 ASN A 145 12.487 7.791 20.612 1.00 0.00 H new ATOM 0 HB3 ASN A 145 11.453 6.408 20.905 1.00 0.00 H new ATOM 0 HD21 ASN A 145 14.482 6.288 23.251 1.00 0.00 H new ATOM 0 HD22 ASN A 145 13.272 7.527 22.900 1.00 0.00 H new ATOM 361 N GLY A 146 10.583 6.043 17.931 1.00 0.00 N ATOM 362 CA GLY A 146 9.501 6.552 17.044 1.00 0.00 C ATOM 363 C GLY A 146 8.172 5.899 17.431 1.00 0.00 C ATOM 364 O GLY A 146 8.113 5.067 18.315 1.00 0.00 O ATOM 0 H GLY A 146 10.453 5.090 18.271 1.00 0.00 H new ATOM 0 HA2 GLY A 146 9.425 7.636 17.131 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.737 6.332 16.003 1.00 0.00 H new ATOM 368 N VAL A 147 7.105 6.269 16.775 1.00 0.00 N ATOM 369 CA VAL A 147 5.782 5.669 17.105 1.00 0.00 C ATOM 370 C VAL A 147 5.221 4.961 15.870 1.00 0.00 C ATOM 371 O VAL A 147 5.573 5.275 14.750 1.00 0.00 O ATOM 372 CB VAL A 147 4.817 6.772 17.545 1.00 0.00 C ATOM 373 CG1 VAL A 147 3.506 6.144 18.019 1.00 0.00 C ATOM 374 CG2 VAL A 147 5.444 7.572 18.688 1.00 0.00 C ATOM 0 H VAL A 147 7.093 6.961 16.025 1.00 0.00 H new ATOM 0 HA VAL A 147 5.901 4.948 17.914 1.00 0.00 H new ATOM 0 HB VAL A 147 4.617 7.437 16.704 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.819 6.930 18.332 1.00 0.00 H new ATOM 0 HG12 VAL A 147 3.059 5.575 17.204 1.00 0.00 H new ATOM 0 HG13 VAL A 147 3.704 5.479 18.859 1.00 0.00 H new ATOM 0 HG21 VAL A 147 4.757 8.358 19.002 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.645 6.908 19.529 1.00 0.00 H new ATOM 0 HG23 VAL A 147 6.378 8.021 18.349 1.00 0.00 H new ATOM 384 N VAL A 148 4.350 4.010 16.063 1.00 0.00 N ATOM 385 CA VAL A 148 3.768 3.284 14.899 1.00 0.00 C ATOM 386 C VAL A 148 2.535 4.035 14.395 1.00 0.00 C ATOM 387 O VAL A 148 1.473 3.968 14.981 1.00 0.00 O ATOM 388 CB VAL A 148 3.365 1.872 15.328 1.00 0.00 C ATOM 389 CG1 VAL A 148 2.570 1.205 14.203 1.00 0.00 C ATOM 390 CG2 VAL A 148 4.621 1.049 15.621 1.00 0.00 C ATOM 0 H VAL A 148 4.016 3.704 16.977 1.00 0.00 H new ATOM 0 HA VAL A 148 4.508 3.224 14.101 1.00 0.00 H new ATOM 0 HB VAL A 148 2.749 1.927 16.226 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.282 0.199 14.508 1.00 0.00 H new ATOM 0 HG12 VAL A 148 1.675 1.790 13.993 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.186 1.150 13.305 1.00 0.00 H new ATOM 0 HG21 VAL A 148 4.334 0.043 15.927 1.00 0.00 H new ATOM 0 HG22 VAL A 148 5.237 0.994 14.724 1.00 0.00 H new ATOM 0 HG23 VAL A 148 5.188 1.523 16.422 1.00 0.00 H new ATOM 400 N GLU A 149 2.666 4.748 13.309 1.00 0.00 N ATOM 401 CA GLU A 149 1.498 5.501 12.769 1.00 0.00 C ATOM 402 C GLU A 149 0.447 4.513 12.261 1.00 0.00 C ATOM 403 O GLU A 149 -0.739 4.716 12.423 1.00 0.00 O ATOM 404 CB GLU A 149 1.959 6.396 11.615 1.00 0.00 C ATOM 405 CG GLU A 149 2.908 7.470 12.150 1.00 0.00 C ATOM 406 CD GLU A 149 2.160 8.360 13.144 1.00 0.00 C ATOM 407 OE1 GLU A 149 0.941 8.314 13.152 1.00 0.00 O ATOM 408 OE2 GLU A 149 2.820 9.074 13.882 1.00 0.00 O ATOM 0 H GLU A 149 3.529 4.841 12.774 1.00 0.00 H new ATOM 0 HA GLU A 149 1.066 6.118 13.557 1.00 0.00 H new ATOM 0 HB2 GLU A 149 2.461 5.798 10.855 1.00 0.00 H new ATOM 0 HB3 GLU A 149 1.098 6.862 11.136 1.00 0.00 H new ATOM 0 HG2 GLU A 149 3.765 7.004 12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 149 3.296 8.071 11.327 1.00 0.00 H new ATOM 415 N GLU A 150 0.873 3.442 11.647 1.00 0.00 N ATOM 416 CA GLU A 150 -0.101 2.442 11.130 1.00 0.00 C ATOM 417 C GLU A 150 0.567 1.066 11.067 1.00 0.00 C ATOM 418 O GLU A 150 1.764 0.955 10.889 1.00 0.00 O ATOM 419 CB GLU A 150 -0.560 2.850 9.729 1.00 0.00 C ATOM 420 CG GLU A 150 -1.657 1.896 9.253 1.00 0.00 C ATOM 421 CD GLU A 150 -2.024 2.225 7.804 1.00 0.00 C ATOM 422 OE1 GLU A 150 -1.408 3.117 7.245 1.00 0.00 O ATOM 423 OE2 GLU A 150 -2.917 1.579 7.279 1.00 0.00 O ATOM 0 H GLU A 150 1.854 3.218 11.482 1.00 0.00 H new ATOM 0 HA GLU A 150 -0.963 2.399 11.795 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -0.934 3.874 9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 150 0.282 2.826 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -1.314 0.864 9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -2.536 1.987 9.892 1.00 0.00 H new ATOM 430 N VAL A 151 -0.196 0.018 11.212 1.00 0.00 N ATOM 431 CA VAL A 151 0.398 -1.347 11.161 1.00 0.00 C ATOM 432 C VAL A 151 -0.285 -2.160 10.058 1.00 0.00 C ATOM 433 O VAL A 151 -1.417 -1.905 9.697 1.00 0.00 O ATOM 434 CB VAL A 151 0.195 -2.043 12.508 1.00 0.00 C ATOM 435 CG1 VAL A 151 0.843 -3.428 12.470 1.00 0.00 C ATOM 436 CG2 VAL A 151 0.841 -1.208 13.615 1.00 0.00 C ATOM 0 H VAL A 151 -1.204 0.048 11.363 1.00 0.00 H new ATOM 0 HA VAL A 151 1.464 -1.271 10.949 1.00 0.00 H new ATOM 0 HB VAL A 151 -0.872 -2.147 12.706 1.00 0.00 H new ATOM 0 HG11 VAL A 151 0.698 -3.924 13.430 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.383 -4.023 11.681 1.00 0.00 H new ATOM 0 HG13 VAL A 151 1.910 -3.325 12.272 1.00 0.00 H new ATOM 0 HG21 VAL A 151 0.697 -1.703 14.575 1.00 0.00 H new ATOM 0 HG22 VAL A 151 1.908 -1.104 13.417 1.00 0.00 H new ATOM 0 HG23 VAL A 151 0.379 -0.221 13.643 1.00 0.00 H new ATOM 446 N ASP A 152 0.393 -3.138 9.523 1.00 0.00 N ATOM 447 CA ASP A 152 -0.219 -3.966 8.446 1.00 0.00 C ATOM 448 C ASP A 152 0.058 -5.446 8.721 1.00 0.00 C ATOM 449 O ASP A 152 1.092 -5.971 8.361 1.00 0.00 O ATOM 450 CB ASP A 152 0.389 -3.576 7.096 1.00 0.00 C ATOM 451 CG ASP A 152 -0.067 -2.166 6.720 1.00 0.00 C ATOM 452 OD1 ASP A 152 -0.992 -1.676 7.347 1.00 0.00 O ATOM 453 OD2 ASP A 152 0.517 -1.598 5.812 1.00 0.00 O ATOM 0 H ASP A 152 1.344 -3.399 9.785 1.00 0.00 H new ATOM 0 HA ASP A 152 -1.295 -3.796 8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 152 1.477 -3.616 7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 152 0.082 -4.286 6.328 1.00 0.00 H new ATOM 458 N TYR A 153 -0.859 -6.121 9.357 1.00 0.00 N ATOM 459 CA TYR A 153 -0.648 -7.565 9.655 1.00 0.00 C ATOM 460 C TYR A 153 -0.646 -8.361 8.348 1.00 0.00 C ATOM 461 O TYR A 153 0.162 -9.246 8.150 1.00 0.00 O ATOM 462 CB TYR A 153 -1.776 -8.070 10.558 1.00 0.00 C ATOM 463 CG TYR A 153 -1.721 -7.348 11.882 1.00 0.00 C ATOM 464 CD1 TYR A 153 -0.702 -7.638 12.797 1.00 0.00 C ATOM 465 CD2 TYR A 153 -2.690 -6.386 12.196 1.00 0.00 C ATOM 466 CE1 TYR A 153 -0.651 -6.969 14.025 1.00 0.00 C ATOM 467 CE2 TYR A 153 -2.639 -5.716 13.425 1.00 0.00 C ATOM 468 CZ TYR A 153 -1.619 -6.007 14.339 1.00 0.00 C ATOM 469 OH TYR A 153 -1.568 -5.348 15.550 1.00 0.00 O ATOM 0 H TYR A 153 -1.745 -5.735 9.683 1.00 0.00 H new ATOM 0 HA TYR A 153 0.309 -7.695 10.161 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -2.741 -7.903 10.080 1.00 0.00 H new ATOM 0 HB3 TYR A 153 -1.679 -9.145 10.713 1.00 0.00 H new ATOM 0 HD1 TYR A 153 0.046 -8.379 12.555 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -3.476 -6.161 11.491 1.00 0.00 H new ATOM 0 HE1 TYR A 153 0.135 -7.195 14.731 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -3.386 -4.975 13.668 1.00 0.00 H new ATOM 0 HH TYR A 153 -0.947 -4.593 15.486 1.00 0.00 H new ATOM 479 N GLU A 154 -1.545 -8.054 7.454 1.00 0.00 N ATOM 480 CA GLU A 154 -1.595 -8.793 6.162 1.00 0.00 C ATOM 481 C GLU A 154 -0.291 -8.565 5.395 1.00 0.00 C ATOM 482 O GLU A 154 0.215 -9.451 4.733 1.00 0.00 O ATOM 483 CB GLU A 154 -2.773 -8.285 5.328 1.00 0.00 C ATOM 484 CG GLU A 154 -4.082 -8.580 6.063 1.00 0.00 C ATOM 485 CD GLU A 154 -5.262 -8.105 5.213 1.00 0.00 C ATOM 486 OE1 GLU A 154 -5.022 -7.428 4.227 1.00 0.00 O ATOM 487 OE2 GLU A 154 -6.386 -8.424 5.564 1.00 0.00 O ATOM 0 H GLU A 154 -2.248 -7.323 7.563 1.00 0.00 H new ATOM 0 HA GLU A 154 -1.721 -9.858 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -2.674 -7.213 5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -2.775 -8.767 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -4.168 -9.649 6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -4.090 -8.076 7.030 1.00 0.00 H new ATOM 494 N LYS A 155 0.258 -7.384 5.476 1.00 0.00 N ATOM 495 CA LYS A 155 1.529 -7.101 4.751 1.00 0.00 C ATOM 496 C LYS A 155 2.715 -7.299 5.697 1.00 0.00 C ATOM 497 O LYS A 155 3.855 -7.099 5.328 1.00 0.00 O ATOM 498 CB LYS A 155 1.516 -5.657 4.246 1.00 0.00 C ATOM 499 CG LYS A 155 2.682 -5.444 3.279 1.00 0.00 C ATOM 500 CD LYS A 155 2.729 -3.976 2.851 1.00 0.00 C ATOM 501 CE LYS A 155 3.919 -3.756 1.915 1.00 0.00 C ATOM 502 NZ LYS A 155 5.187 -3.832 2.695 1.00 0.00 N ATOM 0 H LYS A 155 -0.119 -6.603 6.013 1.00 0.00 H new ATOM 0 HA LYS A 155 1.623 -7.783 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 155 0.571 -5.444 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.595 -4.966 5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 155 3.621 -5.725 3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 155 2.565 -6.085 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 155 1.801 -3.703 2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 155 2.818 -3.333 3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 155 3.919 -4.509 1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 155 3.837 -2.784 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 5.963 -3.423 2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 5.081 -3.300 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 5.403 -4.826 2.911 1.00 0.00 H new ATOM 516 N SER A 156 2.458 -7.691 6.916 1.00 0.00 N ATOM 517 CA SER A 156 3.574 -7.900 7.881 1.00 0.00 C ATOM 518 C SER A 156 4.532 -6.709 7.819 1.00 0.00 C ATOM 519 O SER A 156 5.725 -6.868 7.651 1.00 0.00 O ATOM 520 CB SER A 156 4.328 -9.182 7.520 1.00 0.00 C ATOM 521 OG SER A 156 5.373 -9.397 8.458 1.00 0.00 O ATOM 0 H SER A 156 1.525 -7.875 7.284 1.00 0.00 H new ATOM 0 HA SER A 156 3.170 -7.989 8.890 1.00 0.00 H new ATOM 0 HB2 SER A 156 3.644 -10.031 7.520 1.00 0.00 H new ATOM 0 HB3 SER A 156 4.739 -9.104 6.513 1.00 0.00 H new ATOM 0 HG SER A 156 5.958 -8.611 8.481 1.00 0.00 H new ATOM 527 N ARG A 157 4.020 -5.516 7.952 1.00 0.00 N ATOM 528 CA ARG A 157 4.902 -4.317 7.900 1.00 0.00 C ATOM 529 C ARG A 157 4.427 -3.291 8.931 1.00 0.00 C ATOM 530 O ARG A 157 3.246 -3.062 9.095 1.00 0.00 O ATOM 531 CB ARG A 157 4.843 -3.700 6.501 1.00 0.00 C ATOM 532 CG ARG A 157 5.935 -2.637 6.367 1.00 0.00 C ATOM 533 CD ARG A 157 7.294 -3.320 6.202 1.00 0.00 C ATOM 534 NE ARG A 157 8.364 -2.286 6.133 1.00 0.00 N ATOM 535 CZ ARG A 157 9.146 -2.224 5.089 1.00 0.00 C ATOM 536 NH1 ARG A 157 8.668 -2.475 3.901 1.00 0.00 N ATOM 537 NH2 ARG A 157 10.403 -1.910 5.234 1.00 0.00 N ATOM 0 H ARG A 157 3.029 -5.320 8.094 1.00 0.00 H new ATOM 0 HA ARG A 157 5.928 -4.610 8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 157 4.978 -4.473 5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 157 3.863 -3.254 6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 157 5.731 -1.997 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 157 5.943 -1.995 7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.478 -3.994 7.039 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.301 -3.927 5.296 1.00 0.00 H new ATOM 0 HE ARG A 157 8.486 -1.626 6.901 1.00 0.00 H new ATOM 0 HH11 ARG A 157 7.684 -2.719 3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 157 9.278 -2.427 3.085 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.776 -1.713 6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 157 11.014 -1.862 4.419 1.00 0.00 H new ATOM 551 N LEU A 158 5.340 -2.671 9.629 1.00 0.00 N ATOM 552 CA LEU A 158 4.938 -1.662 10.650 1.00 0.00 C ATOM 553 C LEU A 158 5.270 -0.258 10.139 1.00 0.00 C ATOM 554 O LEU A 158 6.361 0.002 9.672 1.00 0.00 O ATOM 555 CB LEU A 158 5.699 -1.921 11.951 1.00 0.00 C ATOM 556 CG LEU A 158 5.505 -3.379 12.374 1.00 0.00 C ATOM 557 CD1 LEU A 158 6.223 -3.622 13.704 1.00 0.00 C ATOM 558 CD2 LEU A 158 4.012 -3.667 12.539 1.00 0.00 C ATOM 0 H LEU A 158 6.345 -2.819 9.536 1.00 0.00 H new ATOM 0 HA LEU A 158 3.866 -1.739 10.833 1.00 0.00 H new ATOM 0 HB2 LEU A 158 6.759 -1.709 11.813 1.00 0.00 H new ATOM 0 HB3 LEU A 158 5.340 -1.253 12.734 1.00 0.00 H new ATOM 0 HG LEU A 158 5.919 -4.038 11.611 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.086 -4.660 14.007 1.00 0.00 H new ATOM 0 HD12 LEU A 158 7.287 -3.416 13.586 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.808 -2.963 14.467 1.00 0.00 H new ATOM 0 HD21 LEU A 158 3.873 -4.705 12.840 1.00 0.00 H new ATOM 0 HD22 LEU A 158 3.597 -3.009 13.302 1.00 0.00 H new ATOM 0 HD23 LEU A 158 3.501 -3.492 11.592 1.00 0.00 H new ATOM 570 N LYS A 159 4.337 0.649 10.227 1.00 0.00 N ATOM 571 CA LYS A 159 4.598 2.036 9.750 1.00 0.00 C ATOM 572 C LYS A 159 5.008 2.912 10.936 1.00 0.00 C ATOM 573 O LYS A 159 4.192 3.283 11.756 1.00 0.00 O ATOM 574 CB LYS A 159 3.329 2.605 9.110 1.00 0.00 C ATOM 575 CG LYS A 159 3.654 3.934 8.427 1.00 0.00 C ATOM 576 CD LYS A 159 2.372 4.538 7.850 1.00 0.00 C ATOM 577 CE LYS A 159 2.717 5.786 7.035 1.00 0.00 C ATOM 578 NZ LYS A 159 3.061 6.903 7.958 1.00 0.00 N ATOM 0 H LYS A 159 3.405 0.490 10.609 1.00 0.00 H new ATOM 0 HA LYS A 159 5.400 2.022 9.012 1.00 0.00 H new ATOM 0 HB2 LYS A 159 2.928 1.899 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 159 2.561 2.752 9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 159 4.103 4.623 9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 159 4.385 3.778 7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 159 1.865 3.808 7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 159 1.684 4.795 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 159 3.555 5.579 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 159 1.873 6.067 6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 3.213 7.773 7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 2.282 7.050 8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 3.929 6.667 8.480 1.00 0.00 H new ATOM 592 N VAL A 160 6.266 3.243 11.035 1.00 0.00 N ATOM 593 CA VAL A 160 6.726 4.090 12.171 1.00 0.00 C ATOM 594 C VAL A 160 7.417 5.344 11.629 1.00 0.00 C ATOM 595 O VAL A 160 8.073 5.310 10.607 1.00 0.00 O ATOM 596 CB VAL A 160 7.711 3.297 13.032 1.00 0.00 C ATOM 597 CG1 VAL A 160 8.081 4.116 14.270 1.00 0.00 C ATOM 598 CG2 VAL A 160 7.064 1.980 13.465 1.00 0.00 C ATOM 0 H VAL A 160 6.995 2.964 10.379 1.00 0.00 H new ATOM 0 HA VAL A 160 5.867 4.382 12.776 1.00 0.00 H new ATOM 0 HB VAL A 160 8.611 3.087 12.454 1.00 0.00 H new ATOM 0 HG11 VAL A 160 8.783 3.551 14.884 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.542 5.054 13.961 1.00 0.00 H new ATOM 0 HG13 VAL A 160 7.182 4.327 14.849 1.00 0.00 H new ATOM 0 HG21 VAL A 160 7.765 1.414 14.079 1.00 0.00 H new ATOM 0 HG22 VAL A 160 6.164 2.190 14.043 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.801 1.396 12.583 1.00 0.00 H new ATOM 608 N SER A 161 7.277 6.449 12.309 1.00 0.00 N ATOM 609 CA SER A 161 7.927 7.703 11.836 1.00 0.00 C ATOM 610 C SER A 161 8.920 8.190 12.894 1.00 0.00 C ATOM 611 O SER A 161 8.636 8.177 14.075 1.00 0.00 O ATOM 612 CB SER A 161 6.861 8.775 11.603 1.00 0.00 C ATOM 613 OG SER A 161 5.807 8.232 10.822 1.00 0.00 O ATOM 0 H SER A 161 6.740 6.537 13.172 1.00 0.00 H new ATOM 0 HA SER A 161 8.455 7.510 10.902 1.00 0.00 H new ATOM 0 HB2 SER A 161 6.474 9.132 12.557 1.00 0.00 H new ATOM 0 HB3 SER A 161 7.299 9.634 11.095 1.00 0.00 H new ATOM 0 HG SER A 161 5.205 8.952 10.539 1.00 0.00 H new ATOM 619 N VAL A 162 10.081 8.618 12.481 1.00 0.00 N ATOM 620 CA VAL A 162 11.089 9.102 13.466 1.00 0.00 C ATOM 621 C VAL A 162 11.212 10.623 13.370 1.00 0.00 C ATOM 622 O VAL A 162 11.313 11.181 12.296 1.00 0.00 O ATOM 623 CB VAL A 162 12.447 8.465 13.163 1.00 0.00 C ATOM 624 CG1 VAL A 162 13.439 8.828 14.270 1.00 0.00 C ATOM 625 CG2 VAL A 162 12.295 6.946 13.092 1.00 0.00 C ATOM 0 H VAL A 162 10.375 8.654 11.505 1.00 0.00 H new ATOM 0 HA VAL A 162 10.771 8.825 14.471 1.00 0.00 H new ATOM 0 HB VAL A 162 12.817 8.837 12.207 1.00 0.00 H new ATOM 0 HG11 VAL A 162 14.406 8.374 14.055 1.00 0.00 H new ATOM 0 HG12 VAL A 162 13.549 9.911 14.319 1.00 0.00 H new ATOM 0 HG13 VAL A 162 13.069 8.457 15.226 1.00 0.00 H new ATOM 0 HG21 VAL A 162 13.263 6.493 12.876 1.00 0.00 H new ATOM 0 HG22 VAL A 162 11.924 6.572 14.047 1.00 0.00 H new ATOM 0 HG23 VAL A 162 11.589 6.687 12.303 1.00 0.00 H new ATOM 635 N SER A 163 11.209 11.299 14.486 1.00 0.00 N ATOM 636 CA SER A 163 11.330 12.784 14.456 1.00 0.00 C ATOM 637 C SER A 163 12.811 13.168 14.452 1.00 0.00 C ATOM 638 O SER A 163 13.389 13.459 15.480 1.00 0.00 O ATOM 639 CB SER A 163 10.652 13.378 15.693 1.00 0.00 C ATOM 640 OG SER A 163 10.700 14.795 15.624 1.00 0.00 O ATOM 0 H SER A 163 11.128 10.888 15.416 1.00 0.00 H new ATOM 0 HA SER A 163 10.848 13.172 13.559 1.00 0.00 H new ATOM 0 HB2 SER A 163 9.617 13.041 15.751 1.00 0.00 H new ATOM 0 HB3 SER A 163 11.152 13.030 16.597 1.00 0.00 H new ATOM 0 HG SER A 163 10.265 15.176 16.415 1.00 0.00 H new ATOM 692 N ARG A 167 12.056 16.962 12.029 1.00 0.00 N ATOM 693 CA ARG A 167 11.137 16.645 10.900 1.00 0.00 C ATOM 694 C ARG A 167 10.666 15.194 11.019 1.00 0.00 C ATOM 695 O ARG A 167 11.429 14.309 11.355 1.00 0.00 O ATOM 696 CB ARG A 167 11.873 16.836 9.573 1.00 0.00 C ATOM 697 CG ARG A 167 12.249 18.310 9.405 1.00 0.00 C ATOM 698 CD ARG A 167 12.891 18.520 8.032 1.00 0.00 C ATOM 699 NE ARG A 167 13.488 19.883 7.965 1.00 0.00 N ATOM 700 CZ ARG A 167 13.285 20.634 6.917 1.00 0.00 C ATOM 701 NH1 ARG A 167 13.505 20.159 5.721 1.00 0.00 N ATOM 702 NH2 ARG A 167 12.862 21.860 7.065 1.00 0.00 N ATOM 0 HA ARG A 167 10.275 17.311 10.935 1.00 0.00 H new ATOM 0 HB2 ARG A 167 12.769 16.216 9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 167 11.241 16.514 8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 167 11.362 18.936 9.503 1.00 0.00 H new ATOM 0 HG3 ARG A 167 12.941 18.612 10.192 1.00 0.00 H new ATOM 0 HD2 ARG A 167 13.659 17.766 7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 167 12.144 18.400 7.247 1.00 0.00 H new ATOM 0 HE ARG A 167 14.056 20.230 8.738 1.00 0.00 H new ATOM 0 HH11 ARG A 167 13.836 19.201 5.606 1.00 0.00 H new ATOM 0 HH12 ARG A 167 13.346 20.746 4.902 1.00 0.00 H new ATOM 0 HH21 ARG A 167 12.690 22.231 8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 167 12.703 22.447 6.246 1.00 0.00 H new ATOM 716 N ALA A 168 9.415 14.941 10.748 1.00 0.00 N ATOM 717 CA ALA A 168 8.898 13.548 10.846 1.00 0.00 C ATOM 718 C ALA A 168 9.406 12.728 9.658 1.00 0.00 C ATOM 719 O ALA A 168 9.478 13.210 8.545 1.00 0.00 O ATOM 720 CB ALA A 168 7.368 13.570 10.834 1.00 0.00 C ATOM 0 H ALA A 168 8.729 15.640 10.463 1.00 0.00 H new ATOM 0 HA ALA A 168 9.248 13.096 11.774 1.00 0.00 H new ATOM 0 HB1 ALA A 168 6.989 12.551 10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.006 14.152 11.681 1.00 0.00 H new ATOM 0 HB3 ALA A 168 7.018 14.023 9.906 1.00 0.00 H new ATOM 726 N THR A 169 9.758 11.493 9.886 1.00 0.00 N ATOM 727 CA THR A 169 10.260 10.643 8.769 1.00 0.00 C ATOM 728 C THR A 169 9.457 9.341 8.719 1.00 0.00 C ATOM 729 O THR A 169 9.938 8.290 9.094 1.00 0.00 O ATOM 730 CB THR A 169 11.739 10.321 8.998 1.00 0.00 C ATOM 731 OG1 THR A 169 12.304 11.293 9.866 1.00 0.00 O ATOM 732 CG2 THR A 169 12.479 10.337 7.660 1.00 0.00 C ATOM 0 H THR A 169 9.720 11.035 10.797 1.00 0.00 H new ATOM 0 HA THR A 169 10.146 11.177 7.826 1.00 0.00 H new ATOM 0 HB THR A 169 11.831 9.333 9.449 1.00 0.00 H new ATOM 0 HG1 THR A 169 12.145 11.032 10.797 1.00 0.00 H new ATOM 0 HG21 THR A 169 13.532 10.108 7.824 1.00 0.00 H new ATOM 0 HG22 THR A 169 12.044 9.591 6.995 1.00 0.00 H new ATOM 0 HG23 THR A 169 12.389 11.324 7.206 1.00 0.00 H new ATOM 740 N PRO A 170 8.205 9.420 8.243 1.00 0.00 N ATOM 741 CA PRO A 170 7.323 8.250 8.140 1.00 0.00 C ATOM 742 C PRO A 170 7.976 7.113 7.348 1.00 0.00 C ATOM 743 O PRO A 170 8.000 7.123 6.134 1.00 0.00 O ATOM 744 CB PRO A 170 6.109 8.784 7.381 1.00 0.00 C ATOM 745 CG PRO A 170 6.631 9.944 6.604 1.00 0.00 C ATOM 746 CD PRO A 170 7.719 10.556 7.442 1.00 0.00 C ATOM 0 HA PRO A 170 7.082 7.832 9.117 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.687 8.024 6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 170 5.317 9.089 8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 170 7.019 9.622 5.638 1.00 0.00 H new ATOM 0 HG3 PRO A 170 5.840 10.667 6.405 1.00 0.00 H new ATOM 0 HD2 PRO A 170 8.511 10.982 6.826 1.00 0.00 H new ATOM 0 HD3 PRO A 170 7.338 11.360 8.072 1.00 0.00 H new ATOM 754 N VAL A 171 8.505 6.133 8.028 1.00 0.00 N ATOM 755 CA VAL A 171 9.153 4.996 7.315 1.00 0.00 C ATOM 756 C VAL A 171 8.556 3.677 7.809 1.00 0.00 C ATOM 757 O VAL A 171 8.078 3.580 8.921 1.00 0.00 O ATOM 758 CB VAL A 171 10.658 5.011 7.592 1.00 0.00 C ATOM 759 CG1 VAL A 171 11.248 6.347 7.136 1.00 0.00 C ATOM 760 CG2 VAL A 171 10.902 4.833 9.092 1.00 0.00 C ATOM 0 H VAL A 171 8.517 6.070 9.046 1.00 0.00 H new ATOM 0 HA VAL A 171 8.980 5.094 6.243 1.00 0.00 H new ATOM 0 HB VAL A 171 11.135 4.197 7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 171 12.320 6.358 7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 171 11.074 6.476 6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 171 10.771 7.161 7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 171 11.974 4.844 9.290 1.00 0.00 H new ATOM 0 HG22 VAL A 171 10.424 5.647 9.637 1.00 0.00 H new ATOM 0 HG23 VAL A 171 10.482 3.882 9.419 1.00 0.00 H new ATOM 770 N GLU A 172 8.579 2.661 6.990 1.00 0.00 N ATOM 771 CA GLU A 172 8.012 1.349 7.414 1.00 0.00 C ATOM 772 C GLU A 172 9.148 0.401 7.800 1.00 0.00 C ATOM 773 O GLU A 172 10.142 0.293 7.107 1.00 0.00 O ATOM 774 CB GLU A 172 7.211 0.743 6.260 1.00 0.00 C ATOM 775 CG GLU A 172 6.062 1.683 5.889 1.00 0.00 C ATOM 776 CD GLU A 172 6.563 2.736 4.898 1.00 0.00 C ATOM 777 OE1 GLU A 172 7.720 2.661 4.520 1.00 0.00 O ATOM 778 OE2 GLU A 172 5.781 3.598 4.535 1.00 0.00 O ATOM 0 H GLU A 172 8.966 2.683 6.046 1.00 0.00 H new ATOM 0 HA GLU A 172 7.357 1.498 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 172 7.858 0.584 5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 172 6.819 -0.232 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.242 1.116 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 172 5.671 2.167 6.784 1.00 0.00 H new ATOM 785 N LEU A 173 9.012 -0.287 8.900 1.00 0.00 N ATOM 786 CA LEU A 173 10.086 -1.227 9.329 1.00 0.00 C ATOM 787 C LEU A 173 9.462 -2.567 9.726 1.00 0.00 C ATOM 788 O LEU A 173 8.355 -2.623 10.224 1.00 0.00 O ATOM 789 CB LEU A 173 10.832 -0.638 10.528 1.00 0.00 C ATOM 790 CG LEU A 173 11.321 0.770 10.184 1.00 0.00 C ATOM 791 CD1 LEU A 173 12.137 1.328 11.352 1.00 0.00 C ATOM 792 CD2 LEU A 173 12.199 0.712 8.931 1.00 0.00 C ATOM 0 H LEU A 173 8.204 -0.239 9.520 1.00 0.00 H new ATOM 0 HA LEU A 173 10.784 -1.380 8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 173 10.175 -0.604 11.397 1.00 0.00 H new ATOM 0 HB3 LEU A 173 11.677 -1.274 10.792 1.00 0.00 H new ATOM 0 HG LEU A 173 10.463 1.417 9.999 1.00 0.00 H new ATOM 0 HD11 LEU A 173 12.485 2.331 11.106 1.00 0.00 H new ATOM 0 HD12 LEU A 173 11.513 1.369 12.245 1.00 0.00 H new ATOM 0 HD13 LEU A 173 12.995 0.682 11.538 1.00 0.00 H new ATOM 0 HD21 LEU A 173 12.548 1.715 8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 173 13.056 0.065 9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 173 11.619 0.315 8.098 1.00 0.00 H new ATOM 804 N ASP A 174 10.163 -3.646 9.511 1.00 0.00 N ATOM 805 CA ASP A 174 9.609 -4.980 9.877 1.00 0.00 C ATOM 806 C ASP A 174 9.577 -5.118 11.400 1.00 0.00 C ATOM 807 O ASP A 174 10.058 -4.266 12.121 1.00 0.00 O ATOM 808 CB ASP A 174 10.493 -6.078 9.283 1.00 0.00 C ATOM 809 CG ASP A 174 10.400 -6.039 7.757 1.00 0.00 C ATOM 810 OD1 ASP A 174 9.496 -5.392 7.255 1.00 0.00 O ATOM 811 OD2 ASP A 174 11.234 -6.658 7.116 1.00 0.00 O ATOM 0 H ASP A 174 11.095 -3.662 9.098 1.00 0.00 H new ATOM 0 HA ASP A 174 8.597 -5.075 9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 174 11.527 -5.938 9.599 1.00 0.00 H new ATOM 0 HB3 ASP A 174 10.177 -7.054 9.652 1.00 0.00 H new ATOM 816 N PHE A 175 9.013 -6.185 11.897 1.00 0.00 N ATOM 817 CA PHE A 175 8.951 -6.375 13.374 1.00 0.00 C ATOM 818 C PHE A 175 10.368 -6.535 13.927 1.00 0.00 C ATOM 819 O PHE A 175 10.722 -5.951 14.932 1.00 0.00 O ATOM 820 CB PHE A 175 8.133 -7.628 13.696 1.00 0.00 C ATOM 821 CG PHE A 175 6.830 -7.608 12.925 1.00 0.00 C ATOM 822 CD1 PHE A 175 6.355 -6.411 12.370 1.00 0.00 C ATOM 823 CD2 PHE A 175 6.095 -8.789 12.767 1.00 0.00 C ATOM 824 CE1 PHE A 175 5.149 -6.398 11.659 1.00 0.00 C ATOM 825 CE2 PHE A 175 4.889 -8.775 12.057 1.00 0.00 C ATOM 826 CZ PHE A 175 4.416 -7.580 11.502 1.00 0.00 C ATOM 0 H PHE A 175 8.593 -6.933 11.345 1.00 0.00 H new ATOM 0 HA PHE A 175 8.478 -5.506 13.831 1.00 0.00 H new ATOM 0 HB2 PHE A 175 8.703 -8.521 13.439 1.00 0.00 H new ATOM 0 HB3 PHE A 175 7.931 -7.676 14.766 1.00 0.00 H new ATOM 0 HD1 PHE A 175 6.920 -5.499 12.491 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.459 -9.712 13.194 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.784 -5.476 11.232 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.323 -9.687 11.937 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.486 -7.570 10.953 1.00 0.00 H new ATOM 836 N SER A 176 11.183 -7.322 13.280 1.00 0.00 N ATOM 837 CA SER A 176 12.576 -7.519 13.770 1.00 0.00 C ATOM 838 C SER A 176 13.402 -6.265 13.476 1.00 0.00 C ATOM 839 O SER A 176 14.342 -5.951 14.178 1.00 0.00 O ATOM 840 CB SER A 176 13.201 -8.721 13.059 1.00 0.00 C ATOM 841 OG SER A 176 13.352 -8.427 11.678 1.00 0.00 O ATOM 0 H SER A 176 10.944 -7.837 12.433 1.00 0.00 H new ATOM 0 HA SER A 176 12.562 -7.700 14.845 1.00 0.00 H new ATOM 0 HB2 SER A 176 14.170 -8.955 13.500 1.00 0.00 H new ATOM 0 HB3 SER A 176 12.571 -9.601 13.188 1.00 0.00 H new ATOM 0 HG SER A 176 13.754 -9.196 11.222 1.00 0.00 H new ATOM 847 N GLN A 177 13.059 -5.547 12.442 1.00 0.00 N ATOM 848 CA GLN A 177 13.825 -4.314 12.105 1.00 0.00 C ATOM 849 C GLN A 177 13.682 -3.298 13.240 1.00 0.00 C ATOM 850 O GLN A 177 14.531 -2.451 13.438 1.00 0.00 O ATOM 851 CB GLN A 177 13.277 -3.711 10.809 1.00 0.00 C ATOM 852 CG GLN A 177 13.773 -4.532 9.617 1.00 0.00 C ATOM 853 CD GLN A 177 13.280 -3.894 8.317 1.00 0.00 C ATOM 854 OE1 GLN A 177 12.517 -2.949 8.342 1.00 0.00 O ATOM 855 NE2 GLN A 177 13.689 -4.372 7.174 1.00 0.00 N ATOM 0 H GLN A 177 12.282 -5.761 11.816 1.00 0.00 H new ATOM 0 HA GLN A 177 14.877 -4.565 11.973 1.00 0.00 H new ATOM 0 HB2 GLN A 177 12.187 -3.703 10.831 1.00 0.00 H new ATOM 0 HB3 GLN A 177 13.601 -2.675 10.711 1.00 0.00 H new ATOM 0 HG2 GLN A 177 14.862 -4.578 9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 177 13.410 -5.557 9.692 1.00 0.00 H new ATOM 0 HE21 GLN A 177 14.330 -5.165 7.153 1.00 0.00 H new ATOM 0 HE22 GLN A 177 13.368 -3.952 6.302 1.00 0.00 H new ATOM 864 N VAL A 178 12.616 -3.376 13.988 1.00 0.00 N ATOM 865 CA VAL A 178 12.422 -2.416 15.110 1.00 0.00 C ATOM 866 C VAL A 178 12.079 -3.186 16.387 1.00 0.00 C ATOM 867 O VAL A 178 11.664 -4.326 16.342 1.00 0.00 O ATOM 868 CB VAL A 178 11.278 -1.458 14.770 1.00 0.00 C ATOM 869 CG1 VAL A 178 11.502 -0.871 13.375 1.00 0.00 C ATOM 870 CG2 VAL A 178 9.950 -2.220 14.796 1.00 0.00 C ATOM 0 H VAL A 178 11.871 -4.063 13.870 1.00 0.00 H new ATOM 0 HA VAL A 178 13.339 -1.847 15.264 1.00 0.00 H new ATOM 0 HB VAL A 178 11.249 -0.652 15.503 1.00 0.00 H new ATOM 0 HG11 VAL A 178 10.687 -0.189 13.132 1.00 0.00 H new ATOM 0 HG12 VAL A 178 12.447 -0.329 13.356 1.00 0.00 H new ATOM 0 HG13 VAL A 178 11.531 -1.677 12.642 1.00 0.00 H new ATOM 0 HG21 VAL A 178 9.135 -1.538 14.554 1.00 0.00 H new ATOM 0 HG22 VAL A 178 9.979 -3.026 14.063 1.00 0.00 H new ATOM 0 HG23 VAL A 178 9.790 -2.639 15.790 1.00 0.00 H new ATOM 880 N GLU A 179 12.250 -2.572 17.525 1.00 0.00 N ATOM 881 CA GLU A 179 11.935 -3.270 18.803 1.00 0.00 C ATOM 882 C GLU A 179 10.722 -2.608 19.460 1.00 0.00 C ATOM 883 O GLU A 179 10.511 -1.418 19.338 1.00 0.00 O ATOM 884 CB GLU A 179 13.137 -3.179 19.745 1.00 0.00 C ATOM 885 CG GLU A 179 14.376 -3.740 19.043 1.00 0.00 C ATOM 886 CD GLU A 179 15.525 -3.849 20.049 1.00 0.00 C ATOM 887 OE1 GLU A 179 15.391 -3.307 21.132 1.00 0.00 O ATOM 888 OE2 GLU A 179 16.519 -4.474 19.717 1.00 0.00 O ATOM 0 H GLU A 179 12.594 -1.617 17.625 1.00 0.00 H new ATOM 0 HA GLU A 179 11.712 -4.317 18.599 1.00 0.00 H new ATOM 0 HB2 GLU A 179 13.308 -2.142 20.035 1.00 0.00 H new ATOM 0 HB3 GLU A 179 12.939 -3.738 20.660 1.00 0.00 H new ATOM 0 HG2 GLU A 179 14.155 -4.720 18.619 1.00 0.00 H new ATOM 0 HG3 GLU A 179 14.663 -3.092 18.215 1.00 0.00 H new ATOM 895 N LYS A 180 9.923 -3.370 20.155 1.00 0.00 N ATOM 896 CA LYS A 180 8.724 -2.784 20.818 1.00 0.00 C ATOM 897 C LYS A 180 9.157 -2.017 22.069 1.00 0.00 C ATOM 898 O LYS A 180 9.919 -2.508 22.879 1.00 0.00 O ATOM 899 CB LYS A 180 7.761 -3.905 21.217 1.00 0.00 C ATOM 900 CG LYS A 180 6.416 -3.301 21.625 1.00 0.00 C ATOM 901 CD LYS A 180 5.455 -4.422 22.027 1.00 0.00 C ATOM 902 CE LYS A 180 4.042 -3.855 22.170 1.00 0.00 C ATOM 903 NZ LYS A 180 3.643 -3.871 23.606 1.00 0.00 N ATOM 0 H LYS A 180 10.049 -4.373 20.292 1.00 0.00 H new ATOM 0 HA LYS A 180 8.224 -2.104 20.128 1.00 0.00 H new ATOM 0 HB2 LYS A 180 7.624 -4.595 20.384 1.00 0.00 H new ATOM 0 HB3 LYS A 180 8.179 -4.481 22.043 1.00 0.00 H new ATOM 0 HG2 LYS A 180 6.553 -2.609 22.456 1.00 0.00 H new ATOM 0 HG3 LYS A 180 5.997 -2.727 20.798 1.00 0.00 H new ATOM 0 HD2 LYS A 180 5.467 -5.212 21.277 1.00 0.00 H new ATOM 0 HD3 LYS A 180 5.775 -4.870 22.967 1.00 0.00 H new ATOM 0 HE2 LYS A 180 4.006 -2.837 21.783 1.00 0.00 H new ATOM 0 HE3 LYS A 180 3.341 -4.445 21.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 2.682 -3.485 23.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 3.662 -4.849 23.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 4.307 -3.290 24.157 1.00 0.00 H new ATOM 917 N ALA A 181 8.678 -0.814 22.234 1.00 0.00 N ATOM 918 CA ALA A 181 9.063 -0.016 23.432 1.00 0.00 C ATOM 919 C ALA A 181 7.906 -0.005 24.432 1.00 0.00 C ATOM 920 O ALA A 181 7.563 1.018 24.989 1.00 0.00 O ATOM 921 CB ALA A 181 9.384 1.419 23.007 1.00 0.00 C ATOM 0 H ALA A 181 8.037 -0.350 21.591 1.00 0.00 H new ATOM 0 HA ALA A 181 9.941 -0.462 23.899 1.00 0.00 H new ATOM 0 HB1 ALA A 181 9.666 2.003 23.883 1.00 0.00 H new ATOM 0 HB2 ALA A 181 10.209 1.412 22.295 1.00 0.00 H new ATOM 0 HB3 ALA A 181 8.506 1.865 22.540 1.00 0.00 H new