USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=8 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 142:sc= -0.147 (180deg=-0.842) USER MOD Single : A 137 ASN : amide:sc= -0.947! C(o=-0.95!,f=-7.9!) USER MOD Single : A 145 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.3) USER MOD Single : A 153 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 LYS NZ :NH3+ 158:sc= -0.284 (180deg=-1.42!) USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 SER OG : rot 160:sc= -0.864 USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 176 SER OG : rot 180:sc= 0 USER MOD Single : A 177 GLN : amide:sc= -0.187 K(o=-0.19,f=-7.7!) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PHE A 128 2.308 -4.616 18.509 1.00 0.00 N ATOM 95 CA PHE A 128 2.386 -3.141 18.309 1.00 0.00 C ATOM 96 C PHE A 128 0.994 -2.597 17.984 1.00 0.00 C ATOM 97 O PHE A 128 0.199 -3.247 17.334 1.00 0.00 O ATOM 98 CB PHE A 128 3.338 -2.834 17.151 1.00 0.00 C ATOM 99 CG PHE A 128 4.654 -3.536 17.382 1.00 0.00 C ATOM 100 CD1 PHE A 128 5.602 -2.979 18.250 1.00 0.00 C ATOM 101 CD2 PHE A 128 4.928 -4.743 16.727 1.00 0.00 C ATOM 102 CE1 PHE A 128 6.823 -3.631 18.462 1.00 0.00 C ATOM 103 CE2 PHE A 128 6.148 -5.394 16.940 1.00 0.00 C ATOM 104 CZ PHE A 128 7.096 -4.838 17.808 1.00 0.00 C ATOM 0 HA PHE A 128 2.757 -2.669 19.219 1.00 0.00 H new ATOM 0 HB2 PHE A 128 2.899 -3.162 16.209 1.00 0.00 H new ATOM 0 HB3 PHE A 128 3.496 -1.758 17.072 1.00 0.00 H new ATOM 0 HD1 PHE A 128 5.391 -2.048 18.755 1.00 0.00 H new ATOM 0 HD2 PHE A 128 4.197 -5.172 16.057 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.555 -3.202 19.131 1.00 0.00 H new ATOM 0 HE2 PHE A 128 6.359 -6.325 16.435 1.00 0.00 H new ATOM 0 HZ PHE A 128 8.038 -5.341 17.973 1.00 0.00 H new ATOM 114 N GLU A 129 0.692 -1.409 18.431 1.00 0.00 N ATOM 115 CA GLU A 129 -0.648 -0.824 18.146 1.00 0.00 C ATOM 116 C GLU A 129 -0.516 0.688 17.961 1.00 0.00 C ATOM 117 O GLU A 129 0.406 1.305 18.456 1.00 0.00 O ATOM 118 CB GLU A 129 -1.590 -1.115 19.317 1.00 0.00 C ATOM 119 CG GLU A 129 -2.695 -2.067 18.857 1.00 0.00 C ATOM 120 CD GLU A 129 -2.815 -3.226 19.850 1.00 0.00 C ATOM 121 OE1 GLU A 129 -2.018 -4.145 19.757 1.00 0.00 O ATOM 122 OE2 GLU A 129 -3.703 -3.175 20.685 1.00 0.00 O ATOM 0 H GLU A 129 1.315 -0.818 18.981 1.00 0.00 H new ATOM 0 HA GLU A 129 -1.052 -1.267 17.235 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -1.034 -1.558 20.143 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -2.025 -0.187 19.687 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.643 -1.534 18.787 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -2.470 -2.449 17.861 1.00 0.00 H new ATOM 129 N PRO A 130 -1.461 1.294 17.226 1.00 0.00 N ATOM 130 CA PRO A 130 -1.457 2.739 16.967 1.00 0.00 C ATOM 131 C PRO A 130 -1.249 3.547 18.251 1.00 0.00 C ATOM 132 O PRO A 130 -1.936 3.354 19.235 1.00 0.00 O ATOM 133 CB PRO A 130 -2.852 3.006 16.402 1.00 0.00 C ATOM 134 CG PRO A 130 -3.696 1.904 16.949 1.00 0.00 C ATOM 135 CD PRO A 130 -2.801 0.703 17.058 1.00 0.00 C ATOM 0 HA PRO A 130 -0.648 3.032 16.297 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.225 3.982 16.712 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.847 2.998 15.312 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -4.105 2.174 17.923 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -4.542 1.700 16.293 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -3.073 0.074 17.906 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.856 0.078 16.167 1.00 0.00 H new ATOM 143 N GLY A 131 -0.309 4.451 18.249 1.00 0.00 N ATOM 144 CA GLY A 131 -0.059 5.271 19.467 1.00 0.00 C ATOM 145 C GLY A 131 1.083 4.650 20.274 1.00 0.00 C ATOM 146 O GLY A 131 1.580 5.235 21.216 1.00 0.00 O ATOM 0 H GLY A 131 0.298 4.657 17.455 1.00 0.00 H new ATOM 0 HA2 GLY A 131 0.195 6.293 19.185 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -0.962 5.323 20.075 1.00 0.00 H new ATOM 150 N GLU A 132 1.505 3.469 19.914 1.00 0.00 N ATOM 151 CA GLU A 132 2.614 2.814 20.662 1.00 0.00 C ATOM 152 C GLU A 132 3.956 3.262 20.081 1.00 0.00 C ATOM 153 O GLU A 132 4.112 3.391 18.883 1.00 0.00 O ATOM 154 CB GLU A 132 2.486 1.294 20.537 1.00 0.00 C ATOM 155 CG GLU A 132 1.209 0.829 21.242 1.00 0.00 C ATOM 156 CD GLU A 132 1.190 -0.698 21.308 1.00 0.00 C ATOM 157 OE1 GLU A 132 2.055 -1.309 20.701 1.00 0.00 O ATOM 158 OE2 GLU A 132 0.311 -1.232 21.965 1.00 0.00 O ATOM 0 H GLU A 132 1.129 2.930 19.134 1.00 0.00 H new ATOM 0 HA GLU A 132 2.560 3.098 21.713 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.459 1.006 19.486 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.356 0.808 20.979 1.00 0.00 H new ATOM 0 HG2 GLU A 132 1.163 1.248 22.247 1.00 0.00 H new ATOM 0 HG3 GLU A 132 0.332 1.191 20.705 1.00 0.00 H new ATOM 165 N MET A 133 4.926 3.499 20.921 1.00 0.00 N ATOM 166 CA MET A 133 6.258 3.940 20.416 1.00 0.00 C ATOM 167 C MET A 133 7.086 2.714 20.024 1.00 0.00 C ATOM 168 O MET A 133 6.913 1.639 20.560 1.00 0.00 O ATOM 169 CB MET A 133 6.987 4.719 21.511 1.00 0.00 C ATOM 170 CG MET A 133 6.233 6.018 21.801 1.00 0.00 C ATOM 171 SD MET A 133 7.206 7.040 22.934 1.00 0.00 S ATOM 172 CE MET A 133 8.462 7.569 21.743 1.00 0.00 C ATOM 0 H MET A 133 4.854 3.407 21.934 1.00 0.00 H new ATOM 0 HA MET A 133 6.122 4.581 19.545 1.00 0.00 H new ATOM 0 HB2 MET A 133 7.056 4.116 22.416 1.00 0.00 H new ATOM 0 HB3 MET A 133 8.007 4.940 21.197 1.00 0.00 H new ATOM 0 HG2 MET A 133 6.049 6.559 20.873 1.00 0.00 H new ATOM 0 HG3 MET A 133 5.260 5.796 22.239 1.00 0.00 H new ATOM 0 HE1 MET A 133 8.728 8.609 21.933 1.00 0.00 H new ATOM 0 HE2 MET A 133 9.348 6.943 21.847 1.00 0.00 H new ATOM 0 HE3 MET A 133 8.067 7.474 20.731 1.00 0.00 H new ATOM 182 N VAL A 134 7.988 2.869 19.094 1.00 0.00 N ATOM 183 CA VAL A 134 8.827 1.714 18.669 1.00 0.00 C ATOM 184 C VAL A 134 10.293 2.151 18.601 1.00 0.00 C ATOM 185 O VAL A 134 10.622 3.292 18.858 1.00 0.00 O ATOM 186 CB VAL A 134 8.373 1.233 17.289 1.00 0.00 C ATOM 187 CG1 VAL A 134 8.848 -0.204 17.066 1.00 0.00 C ATOM 188 CG2 VAL A 134 6.847 1.284 17.208 1.00 0.00 C ATOM 0 H VAL A 134 8.180 3.746 18.610 1.00 0.00 H new ATOM 0 HA VAL A 134 8.721 0.902 19.388 1.00 0.00 H new ATOM 0 HB VAL A 134 8.800 1.879 16.522 1.00 0.00 H new ATOM 0 HG11 VAL A 134 8.524 -0.546 16.083 1.00 0.00 H new ATOM 0 HG12 VAL A 134 9.936 -0.241 17.123 1.00 0.00 H new ATOM 0 HG13 VAL A 134 8.423 -0.851 17.833 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.523 0.941 16.225 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.420 0.639 17.976 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.508 2.308 17.365 1.00 0.00 H new ATOM 198 N ARG A 135 11.175 1.254 18.258 1.00 0.00 N ATOM 199 CA ARG A 135 12.616 1.621 18.175 1.00 0.00 C ATOM 200 C ARG A 135 13.240 0.967 16.941 1.00 0.00 C ATOM 201 O ARG A 135 12.822 -0.089 16.510 1.00 0.00 O ATOM 202 CB ARG A 135 13.340 1.133 19.432 1.00 0.00 C ATOM 203 CG ARG A 135 12.852 1.931 20.642 1.00 0.00 C ATOM 204 CD ARG A 135 13.724 1.603 21.855 1.00 0.00 C ATOM 205 NE ARG A 135 13.809 0.124 22.021 1.00 0.00 N ATOM 206 CZ ARG A 135 14.432 -0.382 23.049 1.00 0.00 C ATOM 207 NH1 ARG A 135 15.195 0.376 23.789 1.00 0.00 N ATOM 208 NH2 ARG A 135 14.293 -1.647 23.339 1.00 0.00 N ATOM 0 H ARG A 135 10.960 0.283 18.032 1.00 0.00 H new ATOM 0 HA ARG A 135 12.710 2.704 18.098 1.00 0.00 H new ATOM 0 HB2 ARG A 135 13.152 0.070 19.584 1.00 0.00 H new ATOM 0 HB3 ARG A 135 14.417 1.252 19.314 1.00 0.00 H new ATOM 0 HG2 ARG A 135 12.895 2.999 20.428 1.00 0.00 H new ATOM 0 HG3 ARG A 135 11.810 1.690 20.854 1.00 0.00 H new ATOM 0 HD2 ARG A 135 14.721 2.023 21.723 1.00 0.00 H new ATOM 0 HD3 ARG A 135 13.303 2.057 22.752 1.00 0.00 H new ATOM 0 HE ARG A 135 13.380 -0.492 21.331 1.00 0.00 H new ATOM 0 HH11 ARG A 135 15.304 1.365 23.563 1.00 0.00 H new ATOM 0 HH12 ARG A 135 15.682 -0.020 24.593 1.00 0.00 H new ATOM 0 HH21 ARG A 135 13.697 -2.240 22.762 1.00 0.00 H new ATOM 0 HH22 ARG A 135 14.780 -2.042 24.143 1.00 0.00 H new ATOM 222 N VAL A 136 14.237 1.585 16.370 1.00 0.00 N ATOM 223 CA VAL A 136 14.885 0.997 15.164 1.00 0.00 C ATOM 224 C VAL A 136 16.272 0.470 15.537 1.00 0.00 C ATOM 225 O VAL A 136 17.030 1.124 16.227 1.00 0.00 O ATOM 226 CB VAL A 136 15.020 2.072 14.083 1.00 0.00 C ATOM 227 CG1 VAL A 136 15.585 1.444 12.808 1.00 0.00 C ATOM 228 CG2 VAL A 136 13.645 2.676 13.790 1.00 0.00 C ATOM 0 H VAL A 136 14.631 2.471 16.686 1.00 0.00 H new ATOM 0 HA VAL A 136 14.275 0.177 14.786 1.00 0.00 H new ATOM 0 HB VAL A 136 15.693 2.855 14.431 1.00 0.00 H new ATOM 0 HG11 VAL A 136 15.681 2.209 12.038 1.00 0.00 H new ATOM 0 HG12 VAL A 136 16.565 1.014 13.017 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.912 0.661 12.459 1.00 0.00 H new ATOM 0 HG21 VAL A 136 13.741 3.442 13.020 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.971 1.894 13.442 1.00 0.00 H new ATOM 0 HG23 VAL A 136 13.243 3.124 14.699 1.00 0.00 H new ATOM 238 N ASN A 137 16.611 -0.707 15.088 1.00 0.00 N ATOM 239 CA ASN A 137 17.949 -1.274 15.420 1.00 0.00 C ATOM 240 C ASN A 137 18.747 -1.490 14.132 1.00 0.00 C ATOM 241 O ASN A 137 19.753 -2.169 14.121 1.00 0.00 O ATOM 242 CB ASN A 137 17.771 -2.613 16.138 1.00 0.00 C ATOM 243 CG ASN A 137 16.996 -3.576 15.237 1.00 0.00 C ATOM 244 OD1 ASN A 137 17.046 -3.468 14.028 1.00 0.00 O ATOM 245 ND2 ASN A 137 16.278 -4.523 15.778 1.00 0.00 N ATOM 0 H ASN A 137 16.020 -1.301 14.506 1.00 0.00 H new ATOM 0 HA ASN A 137 18.486 -0.581 16.068 1.00 0.00 H new ATOM 0 HB2 ASN A 137 18.744 -3.036 16.388 1.00 0.00 H new ATOM 0 HB3 ASN A 137 17.236 -2.466 17.076 1.00 0.00 H new ATOM 0 HD21 ASN A 137 15.760 -5.172 15.186 1.00 0.00 H new ATOM 0 HD22 ASN A 137 16.236 -4.614 16.793 1.00 0.00 H new ATOM 252 N ASP A 138 18.305 -0.916 13.046 1.00 0.00 N ATOM 253 CA ASP A 138 19.041 -1.090 11.761 1.00 0.00 C ATOM 254 C ASP A 138 18.703 0.067 10.818 1.00 0.00 C ATOM 255 O ASP A 138 17.810 0.849 11.075 1.00 0.00 O ATOM 256 CB ASP A 138 18.627 -2.413 11.112 1.00 0.00 C ATOM 257 CG ASP A 138 17.120 -2.405 10.854 1.00 0.00 C ATOM 258 OD1 ASP A 138 16.511 -1.366 11.047 1.00 0.00 O ATOM 259 OD2 ASP A 138 16.600 -3.439 10.467 1.00 0.00 O ATOM 0 H ASP A 138 17.468 -0.335 12.993 1.00 0.00 H new ATOM 0 HA ASP A 138 20.114 -1.099 11.955 1.00 0.00 H new ATOM 0 HB2 ASP A 138 19.166 -2.555 10.175 1.00 0.00 H new ATOM 0 HB3 ASP A 138 18.891 -3.247 11.762 1.00 0.00 H new ATOM 264 N GLY A 139 19.411 0.182 9.728 1.00 0.00 N ATOM 265 CA GLY A 139 19.129 1.287 8.770 1.00 0.00 C ATOM 266 C GLY A 139 19.528 2.623 9.399 1.00 0.00 C ATOM 267 O GLY A 139 19.750 2.715 10.590 1.00 0.00 O ATOM 0 H GLY A 139 20.172 -0.442 9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.682 1.130 7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 139 18.070 1.297 8.511 1.00 0.00 H new ATOM 271 N PRO A 140 19.621 3.677 8.576 1.00 0.00 N ATOM 272 CA PRO A 140 19.995 5.017 9.045 1.00 0.00 C ATOM 273 C PRO A 140 19.067 5.507 10.162 1.00 0.00 C ATOM 274 O PRO A 140 19.395 6.415 10.899 1.00 0.00 O ATOM 275 CB PRO A 140 19.824 5.891 7.803 1.00 0.00 C ATOM 276 CG PRO A 140 18.825 5.167 6.966 1.00 0.00 C ATOM 277 CD PRO A 140 19.050 3.702 7.218 1.00 0.00 C ATOM 0 HA PRO A 140 21.002 5.039 9.463 1.00 0.00 H new ATOM 0 HB2 PRO A 140 19.472 6.888 8.066 1.00 0.00 H new ATOM 0 HB3 PRO A 140 20.768 6.016 7.273 1.00 0.00 H new ATOM 0 HG2 PRO A 140 17.809 5.457 7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.956 5.405 5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 140 18.120 3.136 7.162 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.732 3.268 6.487 1.00 0.00 H new ATOM 285 N PHE A 141 17.913 4.913 10.291 1.00 0.00 N ATOM 286 CA PHE A 141 16.969 5.344 11.359 1.00 0.00 C ATOM 287 C PHE A 141 17.257 4.562 12.642 1.00 0.00 C ATOM 288 O PHE A 141 16.524 4.642 13.608 1.00 0.00 O ATOM 289 CB PHE A 141 15.531 5.074 10.910 1.00 0.00 C ATOM 290 CG PHE A 141 15.223 5.901 9.685 1.00 0.00 C ATOM 291 CD1 PHE A 141 14.955 7.268 9.812 1.00 0.00 C ATOM 292 CD2 PHE A 141 15.206 5.298 8.421 1.00 0.00 C ATOM 293 CE1 PHE A 141 14.669 8.035 8.676 1.00 0.00 C ATOM 294 CE2 PHE A 141 14.920 6.064 7.284 1.00 0.00 C ATOM 295 CZ PHE A 141 14.651 7.432 7.411 1.00 0.00 C ATOM 0 H PHE A 141 17.583 4.148 9.703 1.00 0.00 H new ATOM 0 HA PHE A 141 17.097 6.410 11.547 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.400 4.015 10.689 1.00 0.00 H new ATOM 0 HB3 PHE A 141 14.836 5.320 11.713 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.969 7.732 10.787 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.413 4.243 8.323 1.00 0.00 H new ATOM 0 HE1 PHE A 141 14.462 9.090 8.775 1.00 0.00 H new ATOM 0 HE2 PHE A 141 14.907 5.599 6.309 1.00 0.00 H new ATOM 0 HZ PHE A 141 14.430 8.023 6.534 1.00 0.00 H new ATOM 305 N ALA A 142 18.320 3.804 12.661 1.00 0.00 N ATOM 306 CA ALA A 142 18.652 3.019 13.883 1.00 0.00 C ATOM 307 C ALA A 142 19.048 3.974 15.011 1.00 0.00 C ATOM 308 O ALA A 142 19.610 5.025 14.778 1.00 0.00 O ATOM 309 CB ALA A 142 19.819 2.076 13.580 1.00 0.00 C ATOM 0 H ALA A 142 18.972 3.695 11.884 1.00 0.00 H new ATOM 0 HA ALA A 142 17.783 2.437 14.189 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.063 1.501 14.473 1.00 0.00 H new ATOM 0 HB2 ALA A 142 19.538 1.396 12.776 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.688 2.659 13.275 1.00 0.00 H new ATOM 315 N ASP A 143 18.760 3.616 16.232 1.00 0.00 N ATOM 316 CA ASP A 143 19.119 4.503 17.374 1.00 0.00 C ATOM 317 C ASP A 143 18.135 5.673 17.443 1.00 0.00 C ATOM 318 O ASP A 143 18.459 6.741 17.919 1.00 0.00 O ATOM 319 CB ASP A 143 20.538 5.042 17.175 1.00 0.00 C ATOM 320 CG ASP A 143 21.135 5.420 18.532 1.00 0.00 C ATOM 321 OD1 ASP A 143 21.554 4.522 19.244 1.00 0.00 O ATOM 322 OD2 ASP A 143 21.163 6.602 18.836 1.00 0.00 O ATOM 0 H ASP A 143 18.291 2.747 16.488 1.00 0.00 H new ATOM 0 HA ASP A 143 19.072 3.934 18.303 1.00 0.00 H new ATOM 0 HB2 ASP A 143 21.159 4.290 16.689 1.00 0.00 H new ATOM 0 HB3 ASP A 143 20.519 5.912 16.519 1.00 0.00 H new ATOM 327 N PHE A 144 16.933 5.477 16.972 1.00 0.00 N ATOM 328 CA PHE A 144 15.930 6.578 17.014 1.00 0.00 C ATOM 329 C PHE A 144 14.584 6.024 17.486 1.00 0.00 C ATOM 330 O PHE A 144 14.234 4.895 17.205 1.00 0.00 O ATOM 331 CB PHE A 144 15.770 7.178 15.615 1.00 0.00 C ATOM 332 CG PHE A 144 17.052 7.869 15.214 1.00 0.00 C ATOM 333 CD1 PHE A 144 17.250 9.217 15.536 1.00 0.00 C ATOM 334 CD2 PHE A 144 18.040 7.163 14.519 1.00 0.00 C ATOM 335 CE1 PHE A 144 18.438 9.858 15.164 1.00 0.00 C ATOM 336 CE2 PHE A 144 19.227 7.803 14.147 1.00 0.00 C ATOM 337 CZ PHE A 144 19.427 9.151 14.468 1.00 0.00 C ATOM 0 H PHE A 144 16.603 4.604 16.561 1.00 0.00 H new ATOM 0 HA PHE A 144 16.269 7.350 17.704 1.00 0.00 H new ATOM 0 HB2 PHE A 144 15.527 6.395 14.897 1.00 0.00 H new ATOM 0 HB3 PHE A 144 14.943 7.888 15.604 1.00 0.00 H new ATOM 0 HD1 PHE A 144 16.487 9.762 16.071 1.00 0.00 H new ATOM 0 HD2 PHE A 144 17.886 6.124 14.270 1.00 0.00 H new ATOM 0 HE1 PHE A 144 18.592 10.897 15.414 1.00 0.00 H new ATOM 0 HE2 PHE A 144 19.990 7.257 13.612 1.00 0.00 H new ATOM 0 HZ PHE A 144 20.343 9.645 14.179 1.00 0.00 H new ATOM 347 N ASN A 145 13.826 6.810 18.200 1.00 0.00 N ATOM 348 CA ASN A 145 12.504 6.328 18.689 1.00 0.00 C ATOM 349 C ASN A 145 11.392 6.942 17.835 1.00 0.00 C ATOM 350 O ASN A 145 11.501 8.056 17.364 1.00 0.00 O ATOM 351 CB ASN A 145 12.317 6.746 20.149 1.00 0.00 C ATOM 352 CG ASN A 145 13.412 6.110 21.006 1.00 0.00 C ATOM 353 OD1 ASN A 145 14.024 5.138 20.608 1.00 0.00 O ATOM 354 ND2 ASN A 145 13.689 6.620 22.175 1.00 0.00 N ATOM 0 H ASN A 145 14.065 7.765 18.466 1.00 0.00 H new ATOM 0 HA ASN A 145 12.462 5.241 18.615 1.00 0.00 H new ATOM 0 HB2 ASN A 145 12.357 7.832 20.235 1.00 0.00 H new ATOM 0 HB3 ASN A 145 11.335 6.434 20.505 1.00 0.00 H new ATOM 0 HD21 ASN A 145 14.418 6.203 22.753 1.00 0.00 H new ATOM 0 HD22 ASN A 145 13.176 7.436 22.510 1.00 0.00 H new ATOM 361 N GLY A 146 10.322 6.223 17.632 1.00 0.00 N ATOM 362 CA GLY A 146 9.206 6.767 16.809 1.00 0.00 C ATOM 363 C GLY A 146 7.884 6.153 17.273 1.00 0.00 C ATOM 364 O GLY A 146 7.832 5.438 18.254 1.00 0.00 O ATOM 0 H GLY A 146 10.173 5.284 18.000 1.00 0.00 H new ATOM 0 HA2 GLY A 146 9.167 7.852 16.901 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.374 6.542 15.756 1.00 0.00 H new ATOM 368 N VAL A 147 6.815 6.429 16.578 1.00 0.00 N ATOM 369 CA VAL A 147 5.498 5.860 16.981 1.00 0.00 C ATOM 370 C VAL A 147 4.897 5.084 15.808 1.00 0.00 C ATOM 371 O VAL A 147 5.225 5.319 14.662 1.00 0.00 O ATOM 372 CB VAL A 147 4.552 6.997 17.378 1.00 0.00 C ATOM 373 CG1 VAL A 147 3.223 6.410 17.854 1.00 0.00 C ATOM 374 CG2 VAL A 147 5.183 7.814 18.508 1.00 0.00 C ATOM 0 H VAL A 147 6.796 7.023 15.749 1.00 0.00 H new ATOM 0 HA VAL A 147 5.636 5.188 17.828 1.00 0.00 H new ATOM 0 HB VAL A 147 4.377 7.642 16.517 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.549 7.218 18.137 1.00 0.00 H new ATOM 0 HG12 VAL A 147 2.774 5.827 17.050 1.00 0.00 H new ATOM 0 HG13 VAL A 147 3.398 5.765 18.715 1.00 0.00 H new ATOM 0 HG21 VAL A 147 4.510 8.624 18.791 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.358 7.169 19.369 1.00 0.00 H new ATOM 0 HG23 VAL A 147 6.131 8.232 18.169 1.00 0.00 H new ATOM 384 N VAL A 148 4.020 4.157 16.085 1.00 0.00 N ATOM 385 CA VAL A 148 3.400 3.367 14.984 1.00 0.00 C ATOM 386 C VAL A 148 2.175 4.111 14.448 1.00 0.00 C ATOM 387 O VAL A 148 1.091 4.011 14.987 1.00 0.00 O ATOM 388 CB VAL A 148 2.971 1.999 15.520 1.00 0.00 C ATOM 389 CG1 VAL A 148 2.257 1.220 14.412 1.00 0.00 C ATOM 390 CG2 VAL A 148 4.206 1.220 15.976 1.00 0.00 C ATOM 0 H VAL A 148 3.707 3.913 17.025 1.00 0.00 H new ATOM 0 HA VAL A 148 4.124 3.234 14.180 1.00 0.00 H new ATOM 0 HB VAL A 148 2.295 2.134 16.364 1.00 0.00 H new ATOM 0 HG11 VAL A 148 1.951 0.245 14.792 1.00 0.00 H new ATOM 0 HG12 VAL A 148 1.377 1.775 14.086 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.934 1.084 13.568 1.00 0.00 H new ATOM 0 HG21 VAL A 148 3.901 0.246 16.358 1.00 0.00 H new ATOM 0 HG22 VAL A 148 4.882 1.084 15.132 1.00 0.00 H new ATOM 0 HG23 VAL A 148 4.716 1.775 16.763 1.00 0.00 H new ATOM 400 N GLU A 149 2.340 4.858 13.391 1.00 0.00 N ATOM 401 CA GLU A 149 1.186 5.609 12.821 1.00 0.00 C ATOM 402 C GLU A 149 0.182 4.621 12.222 1.00 0.00 C ATOM 403 O GLU A 149 -1.014 4.830 12.270 1.00 0.00 O ATOM 404 CB GLU A 149 1.683 6.558 11.729 1.00 0.00 C ATOM 405 CG GLU A 149 2.632 7.588 12.342 1.00 0.00 C ATOM 406 CD GLU A 149 3.079 8.576 11.263 1.00 0.00 C ATOM 407 OE1 GLU A 149 2.812 8.315 10.101 1.00 0.00 O ATOM 408 OE2 GLU A 149 3.683 9.576 11.615 1.00 0.00 O ATOM 0 H GLU A 149 3.224 4.981 12.897 1.00 0.00 H new ATOM 0 HA GLU A 149 0.702 6.186 13.609 1.00 0.00 H new ATOM 0 HB2 GLU A 149 2.195 5.995 10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 149 0.839 7.061 11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 149 2.134 8.120 13.153 1.00 0.00 H new ATOM 0 HG3 GLU A 149 3.499 7.088 12.774 1.00 0.00 H new ATOM 415 N GLU A 150 0.658 3.546 11.657 1.00 0.00 N ATOM 416 CA GLU A 150 -0.268 2.546 11.055 1.00 0.00 C ATOM 417 C GLU A 150 0.368 1.157 11.122 1.00 0.00 C ATOM 418 O GLU A 150 1.569 1.019 11.250 1.00 0.00 O ATOM 419 CB GLU A 150 -0.538 2.915 9.594 1.00 0.00 C ATOM 420 CG GLU A 150 -1.187 4.300 9.530 1.00 0.00 C ATOM 421 CD GLU A 150 -1.540 4.630 8.078 1.00 0.00 C ATOM 422 OE1 GLU A 150 -1.136 3.880 7.206 1.00 0.00 O ATOM 423 OE2 GLU A 150 -2.209 5.628 7.864 1.00 0.00 O ATOM 0 H GLU A 150 1.649 3.317 11.586 1.00 0.00 H new ATOM 0 HA GLU A 150 -1.208 2.542 11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 150 0.394 2.912 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -1.192 2.173 9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -2.085 4.322 10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -0.506 5.051 9.930 1.00 0.00 H new ATOM 430 N VAL A 151 -0.426 0.125 11.036 1.00 0.00 N ATOM 431 CA VAL A 151 0.136 -1.254 11.095 1.00 0.00 C ATOM 432 C VAL A 151 -0.388 -2.069 9.911 1.00 0.00 C ATOM 433 O VAL A 151 -1.492 -1.867 9.445 1.00 0.00 O ATOM 434 CB VAL A 151 -0.292 -1.923 12.403 1.00 0.00 C ATOM 435 CG1 VAL A 151 0.366 -3.300 12.511 1.00 0.00 C ATOM 436 CG2 VAL A 151 0.143 -1.055 13.586 1.00 0.00 C ATOM 0 H VAL A 151 -1.439 0.177 10.928 1.00 0.00 H new ATOM 0 HA VAL A 151 1.224 -1.205 11.050 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.376 -2.037 12.415 1.00 0.00 H new ATOM 0 HG11 VAL A 151 0.061 -3.777 13.443 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.056 -3.918 11.669 1.00 0.00 H new ATOM 0 HG13 VAL A 151 1.450 -3.187 12.499 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.162 -1.531 14.518 1.00 0.00 H new ATOM 0 HG22 VAL A 151 1.227 -0.941 13.574 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -0.326 -0.074 13.509 1.00 0.00 H new ATOM 446 N ASP A 152 0.395 -2.990 9.421 1.00 0.00 N ATOM 447 CA ASP A 152 -0.059 -3.817 8.268 1.00 0.00 C ATOM 448 C ASP A 152 0.256 -5.290 8.541 1.00 0.00 C ATOM 449 O ASP A 152 1.290 -5.795 8.153 1.00 0.00 O ATOM 450 CB ASP A 152 0.667 -3.367 6.999 1.00 0.00 C ATOM 451 CG ASP A 152 0.217 -1.952 6.628 1.00 0.00 C ATOM 452 OD1 ASP A 152 -0.782 -1.508 7.172 1.00 0.00 O ATOM 453 OD2 ASP A 152 0.878 -1.337 5.809 1.00 0.00 O ATOM 0 H ASP A 152 1.329 -3.206 9.769 1.00 0.00 H new ATOM 0 HA ASP A 152 -1.134 -3.694 8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 152 1.745 -3.387 7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 152 0.452 -4.055 6.181 1.00 0.00 H new ATOM 458 N TYR A 153 -0.627 -5.981 9.206 1.00 0.00 N ATOM 459 CA TYR A 153 -0.378 -7.420 9.503 1.00 0.00 C ATOM 460 C TYR A 153 -0.399 -8.221 8.201 1.00 0.00 C ATOM 461 O TYR A 153 0.355 -9.157 8.024 1.00 0.00 O ATOM 462 CB TYR A 153 -1.468 -7.943 10.443 1.00 0.00 C ATOM 463 CG TYR A 153 -1.399 -7.200 11.755 1.00 0.00 C ATOM 464 CD1 TYR A 153 -0.439 -7.554 12.710 1.00 0.00 C ATOM 465 CD2 TYR A 153 -2.296 -6.158 12.016 1.00 0.00 C ATOM 466 CE1 TYR A 153 -0.376 -6.866 13.928 1.00 0.00 C ATOM 467 CE2 TYR A 153 -2.234 -5.469 13.234 1.00 0.00 C ATOM 468 CZ TYR A 153 -1.273 -5.823 14.189 1.00 0.00 C ATOM 469 OH TYR A 153 -1.212 -5.143 15.389 1.00 0.00 O ATOM 0 H TYR A 153 -1.511 -5.612 9.557 1.00 0.00 H new ATOM 0 HA TYR A 153 0.596 -7.529 9.980 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -2.450 -7.810 9.989 1.00 0.00 H new ATOM 0 HB3 TYR A 153 -1.337 -9.012 10.611 1.00 0.00 H new ATOM 0 HD1 TYR A 153 0.253 -8.358 12.507 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -3.036 -5.885 11.278 1.00 0.00 H new ATOM 0 HE1 TYR A 153 0.364 -7.140 14.666 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -2.927 -4.666 13.436 1.00 0.00 H new ATOM 0 HH TYR A 153 -1.904 -4.449 15.407 1.00 0.00 H new ATOM 479 N GLU A 154 -1.257 -7.861 7.285 1.00 0.00 N ATOM 480 CA GLU A 154 -1.325 -8.602 5.995 1.00 0.00 C ATOM 481 C GLU A 154 -0.005 -8.431 5.239 1.00 0.00 C ATOM 482 O GLU A 154 0.514 -9.362 4.657 1.00 0.00 O ATOM 483 CB GLU A 154 -2.472 -8.048 5.149 1.00 0.00 C ATOM 484 CG GLU A 154 -3.803 -8.330 5.849 1.00 0.00 C ATOM 485 CD GLU A 154 -4.956 -7.827 4.977 1.00 0.00 C ATOM 486 OE1 GLU A 154 -4.681 -7.146 4.003 1.00 0.00 O ATOM 487 OE2 GLU A 154 -6.092 -8.134 5.297 1.00 0.00 O ATOM 0 H GLU A 154 -1.913 -7.086 7.375 1.00 0.00 H new ATOM 0 HA GLU A 154 -1.497 -9.660 6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -2.346 -6.975 5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -2.464 -8.507 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -3.911 -9.399 6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -3.826 -7.837 6.821 1.00 0.00 H new ATOM 494 N LYS A 155 0.542 -7.246 5.243 1.00 0.00 N ATOM 495 CA LYS A 155 1.828 -7.016 4.525 1.00 0.00 C ATOM 496 C LYS A 155 2.996 -7.214 5.494 1.00 0.00 C ATOM 497 O LYS A 155 4.131 -6.915 5.180 1.00 0.00 O ATOM 498 CB LYS A 155 1.856 -5.589 3.975 1.00 0.00 C ATOM 499 CG LYS A 155 0.721 -5.408 2.966 1.00 0.00 C ATOM 500 CD LYS A 155 0.800 -4.009 2.354 1.00 0.00 C ATOM 501 CE LYS A 155 -0.408 -3.780 1.444 1.00 0.00 C ATOM 502 NZ LYS A 155 -1.636 -4.298 2.111 1.00 0.00 N ATOM 0 H LYS A 155 0.154 -6.427 5.712 1.00 0.00 H new ATOM 0 HA LYS A 155 1.917 -7.724 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 155 1.751 -4.872 4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 155 2.816 -5.391 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 155 0.792 -6.163 2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -0.242 -5.548 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 155 0.822 -3.257 3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.723 -3.901 1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -0.519 -2.717 1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -0.259 -4.285 0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -2.474 -3.835 1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -1.704 -5.325 1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -1.589 -4.096 3.130 1.00 0.00 H new ATOM 516 N SER A 156 2.727 -7.715 6.669 1.00 0.00 N ATOM 517 CA SER A 156 3.823 -7.932 7.656 1.00 0.00 C ATOM 518 C SER A 156 4.745 -6.711 7.670 1.00 0.00 C ATOM 519 O SER A 156 5.946 -6.827 7.523 1.00 0.00 O ATOM 520 CB SER A 156 4.626 -9.172 7.262 1.00 0.00 C ATOM 521 OG SER A 156 3.920 -10.338 7.662 1.00 0.00 O ATOM 0 H SER A 156 1.796 -7.983 6.988 1.00 0.00 H new ATOM 0 HA SER A 156 3.395 -8.076 8.648 1.00 0.00 H new ATOM 0 HB2 SER A 156 4.791 -9.185 6.185 1.00 0.00 H new ATOM 0 HB3 SER A 156 5.608 -9.148 7.734 1.00 0.00 H new ATOM 0 HG SER A 156 4.433 -11.134 7.409 1.00 0.00 H new ATOM 527 N ARG A 157 4.194 -5.540 7.845 1.00 0.00 N ATOM 528 CA ARG A 157 5.040 -4.315 7.867 1.00 0.00 C ATOM 529 C ARG A 157 4.466 -3.318 8.876 1.00 0.00 C ATOM 530 O ARG A 157 3.268 -3.149 8.984 1.00 0.00 O ATOM 531 CB ARG A 157 5.054 -3.680 6.476 1.00 0.00 C ATOM 532 CG ARG A 157 6.201 -2.672 6.386 1.00 0.00 C ATOM 533 CD ARG A 157 7.523 -3.418 6.188 1.00 0.00 C ATOM 534 NE ARG A 157 8.637 -2.435 6.083 1.00 0.00 N ATOM 535 CZ ARG A 157 9.278 -2.293 4.954 1.00 0.00 C ATOM 536 NH1 ARG A 157 8.858 -1.432 4.068 1.00 0.00 N ATOM 537 NH2 ARG A 157 10.339 -3.013 4.712 1.00 0.00 N ATOM 0 H ARG A 157 3.195 -5.380 7.974 1.00 0.00 H new ATOM 0 HA ARG A 157 6.057 -4.581 8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 157 5.172 -4.451 5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 157 4.103 -3.183 6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 157 6.031 -1.985 5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.243 -2.071 7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.699 -4.096 7.023 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.477 -4.029 5.286 1.00 0.00 H new ATOM 0 HE ARG A 157 8.899 -1.873 6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 157 8.029 -0.869 4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 157 9.359 -1.322 3.187 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.667 -3.686 5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 157 10.840 -2.903 3.830 1.00 0.00 H new ATOM 551 N LEU A 158 5.312 -2.655 9.617 1.00 0.00 N ATOM 552 CA LEU A 158 4.814 -1.670 10.618 1.00 0.00 C ATOM 553 C LEU A 158 5.103 -0.251 10.124 1.00 0.00 C ATOM 554 O LEU A 158 6.187 0.047 9.661 1.00 0.00 O ATOM 555 CB LEU A 158 5.523 -1.897 11.955 1.00 0.00 C ATOM 556 CG LEU A 158 5.391 -3.367 12.360 1.00 0.00 C ATOM 557 CD1 LEU A 158 6.074 -3.584 13.712 1.00 0.00 C ATOM 558 CD2 LEU A 158 3.910 -3.734 12.471 1.00 0.00 C ATOM 0 H LEU A 158 6.326 -2.753 9.572 1.00 0.00 H new ATOM 0 HA LEU A 158 3.740 -1.799 10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 158 6.575 -1.625 11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 158 5.088 -1.257 12.723 1.00 0.00 H new ATOM 0 HG LEU A 158 5.865 -3.997 11.607 1.00 0.00 H new ATOM 0 HD11 LEU A 158 5.981 -4.630 14.003 1.00 0.00 H new ATOM 0 HD12 LEU A 158 7.129 -3.321 13.633 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.599 -2.955 14.465 1.00 0.00 H new ATOM 0 HD21 LEU A 158 3.815 -4.781 12.759 1.00 0.00 H new ATOM 0 HD22 LEU A 158 3.435 -3.106 13.224 1.00 0.00 H new ATOM 0 HD23 LEU A 158 3.423 -3.577 11.508 1.00 0.00 H new ATOM 570 N LYS A 159 4.143 0.628 10.220 1.00 0.00 N ATOM 571 CA LYS A 159 4.365 2.028 9.758 1.00 0.00 C ATOM 572 C LYS A 159 4.838 2.883 10.933 1.00 0.00 C ATOM 573 O LYS A 159 4.047 3.381 11.710 1.00 0.00 O ATOM 574 CB LYS A 159 3.056 2.597 9.206 1.00 0.00 C ATOM 575 CG LYS A 159 3.302 4.007 8.667 1.00 0.00 C ATOM 576 CD LYS A 159 4.030 3.919 7.325 1.00 0.00 C ATOM 577 CE LYS A 159 4.141 5.316 6.712 1.00 0.00 C ATOM 578 NZ LYS A 159 3.820 5.248 5.259 1.00 0.00 N ATOM 0 H LYS A 159 3.215 0.438 10.598 1.00 0.00 H new ATOM 0 HA LYS A 159 5.123 2.036 8.975 1.00 0.00 H new ATOM 0 HB2 LYS A 159 2.673 1.954 8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 159 2.299 2.622 9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 159 2.355 4.532 8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 159 3.896 4.581 9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 159 5.023 3.492 7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 159 3.490 3.256 6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 159 3.458 6.001 7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 159 5.148 5.708 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 3.895 6.198 4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 4.489 4.608 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 2.851 4.891 5.134 1.00 0.00 H new ATOM 592 N VAL A 160 6.124 3.059 11.073 1.00 0.00 N ATOM 593 CA VAL A 160 6.645 3.883 12.200 1.00 0.00 C ATOM 594 C VAL A 160 7.388 5.099 11.642 1.00 0.00 C ATOM 595 O VAL A 160 8.057 5.020 10.631 1.00 0.00 O ATOM 596 CB VAL A 160 7.605 3.042 13.043 1.00 0.00 C ATOM 597 CG1 VAL A 160 8.051 3.848 14.265 1.00 0.00 C ATOM 598 CG2 VAL A 160 6.897 1.767 13.504 1.00 0.00 C ATOM 0 H VAL A 160 6.836 2.668 10.456 1.00 0.00 H new ATOM 0 HA VAL A 160 5.814 4.219 12.820 1.00 0.00 H new ATOM 0 HB VAL A 160 8.477 2.777 12.444 1.00 0.00 H new ATOM 0 HG11 VAL A 160 8.735 3.249 14.866 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.556 4.756 13.937 1.00 0.00 H new ATOM 0 HG13 VAL A 160 7.180 4.114 14.864 1.00 0.00 H new ATOM 0 HG21 VAL A 160 7.581 1.168 14.105 1.00 0.00 H new ATOM 0 HG22 VAL A 160 6.025 2.031 14.102 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.580 1.192 12.634 1.00 0.00 H new ATOM 608 N SER A 161 7.278 6.224 12.295 1.00 0.00 N ATOM 609 CA SER A 161 7.979 7.443 11.805 1.00 0.00 C ATOM 610 C SER A 161 9.134 7.781 12.749 1.00 0.00 C ATOM 611 O SER A 161 9.065 7.542 13.938 1.00 0.00 O ATOM 612 CB SER A 161 6.995 8.614 11.761 1.00 0.00 C ATOM 613 OG SER A 161 7.631 9.744 11.180 1.00 0.00 O ATOM 0 H SER A 161 6.732 6.351 13.147 1.00 0.00 H new ATOM 0 HA SER A 161 8.370 7.260 10.804 1.00 0.00 H new ATOM 0 HB2 SER A 161 6.114 8.341 11.181 1.00 0.00 H new ATOM 0 HB3 SER A 161 6.652 8.853 12.768 1.00 0.00 H new ATOM 0 HG SER A 161 6.951 10.372 10.857 1.00 0.00 H new ATOM 619 N VAL A 162 10.196 8.333 12.230 1.00 0.00 N ATOM 620 CA VAL A 162 11.354 8.684 13.100 1.00 0.00 C ATOM 621 C VAL A 162 11.167 10.095 13.659 1.00 0.00 C ATOM 622 O VAL A 162 10.820 11.014 12.944 1.00 0.00 O ATOM 623 CB VAL A 162 12.644 8.632 12.280 1.00 0.00 C ATOM 624 CG1 VAL A 162 13.847 8.783 13.214 1.00 0.00 C ATOM 625 CG2 VAL A 162 12.732 7.293 11.547 1.00 0.00 C ATOM 0 H VAL A 162 10.312 8.556 11.242 1.00 0.00 H new ATOM 0 HA VAL A 162 11.415 7.972 13.923 1.00 0.00 H new ATOM 0 HB VAL A 162 12.644 9.443 11.552 1.00 0.00 H new ATOM 0 HG11 VAL A 162 14.767 8.746 12.631 1.00 0.00 H new ATOM 0 HG12 VAL A 162 13.786 9.739 13.735 1.00 0.00 H new ATOM 0 HG13 VAL A 162 13.846 7.972 13.942 1.00 0.00 H new ATOM 0 HG21 VAL A 162 13.652 7.258 10.963 1.00 0.00 H new ATOM 0 HG22 VAL A 162 12.732 6.480 12.273 1.00 0.00 H new ATOM 0 HG23 VAL A 162 11.875 7.186 10.881 1.00 0.00 H new ATOM 635 N SER A 163 11.399 10.275 14.930 1.00 0.00 N ATOM 636 CA SER A 163 11.238 11.630 15.528 1.00 0.00 C ATOM 637 C SER A 163 12.537 12.419 15.346 1.00 0.00 C ATOM 638 O SER A 163 13.360 12.491 16.237 1.00 0.00 O ATOM 639 CB SER A 163 10.927 11.496 17.020 1.00 0.00 C ATOM 640 OG SER A 163 9.550 11.190 17.190 1.00 0.00 O ATOM 0 H SER A 163 11.692 9.545 15.579 1.00 0.00 H new ATOM 0 HA SER A 163 10.419 12.153 15.034 1.00 0.00 H new ATOM 0 HB2 SER A 163 11.542 10.712 17.462 1.00 0.00 H new ATOM 0 HB3 SER A 163 11.171 12.423 17.538 1.00 0.00 H new ATOM 0 HG SER A 163 9.350 11.102 18.145 1.00 0.00 H new ATOM 692 N ARG A 167 12.606 17.047 11.239 1.00 0.00 N ATOM 693 CA ARG A 167 11.211 16.738 10.809 1.00 0.00 C ATOM 694 C ARG A 167 10.936 15.247 11.023 1.00 0.00 C ATOM 695 O ARG A 167 11.839 14.434 11.023 1.00 0.00 O ATOM 696 CB ARG A 167 11.041 17.085 9.325 1.00 0.00 C ATOM 697 CG ARG A 167 9.772 16.422 8.779 1.00 0.00 C ATOM 698 CD ARG A 167 9.558 16.849 7.326 1.00 0.00 C ATOM 699 NE ARG A 167 8.102 16.818 7.010 1.00 0.00 N ATOM 700 CZ ARG A 167 7.706 16.641 5.779 1.00 0.00 C ATOM 701 NH1 ARG A 167 8.395 17.147 4.793 1.00 0.00 N ATOM 702 NH2 ARG A 167 6.621 15.958 5.535 1.00 0.00 N ATOM 0 HA ARG A 167 10.508 17.327 11.398 1.00 0.00 H new ATOM 0 HB2 ARG A 167 10.980 18.166 9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 167 11.910 16.747 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 167 9.860 15.337 8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 167 8.911 16.707 9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 167 9.954 17.852 7.168 1.00 0.00 H new ATOM 0 HD3 ARG A 167 10.101 16.183 6.656 1.00 0.00 H new ATOM 0 HE ARG A 167 7.415 16.935 7.755 1.00 0.00 H new ATOM 0 HH11 ARG A 167 9.243 17.681 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 167 8.086 17.009 3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 167 6.083 15.563 6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 167 6.311 15.819 4.573 1.00 0.00 H new ATOM 716 N ALA A 168 9.697 14.881 11.204 1.00 0.00 N ATOM 717 CA ALA A 168 9.369 13.444 11.415 1.00 0.00 C ATOM 718 C ALA A 168 9.653 12.664 10.129 1.00 0.00 C ATOM 719 O ALA A 168 9.512 13.177 9.037 1.00 0.00 O ATOM 720 CB ALA A 168 7.890 13.305 11.779 1.00 0.00 C ATOM 0 H ALA A 168 8.898 15.515 11.215 1.00 0.00 H new ATOM 0 HA ALA A 168 9.980 13.047 12.225 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.651 12.253 11.933 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.687 13.861 12.694 1.00 0.00 H new ATOM 0 HB3 ALA A 168 7.277 13.702 10.969 1.00 0.00 H new ATOM 726 N THR A 169 10.054 11.428 10.249 1.00 0.00 N ATOM 727 CA THR A 169 10.347 10.619 9.033 1.00 0.00 C ATOM 728 C THR A 169 9.517 9.334 9.061 1.00 0.00 C ATOM 729 O THR A 169 9.951 8.316 9.564 1.00 0.00 O ATOM 730 CB THR A 169 11.836 10.266 9.001 1.00 0.00 C ATOM 731 OG1 THR A 169 12.600 11.411 9.354 1.00 0.00 O ATOM 732 CG2 THR A 169 12.224 9.804 7.596 1.00 0.00 C ATOM 0 H THR A 169 10.191 10.944 11.136 1.00 0.00 H new ATOM 0 HA THR A 169 10.092 11.195 8.144 1.00 0.00 H new ATOM 0 HB THR A 169 12.034 9.463 9.711 1.00 0.00 H new ATOM 0 HG1 THR A 169 13.554 11.186 9.336 1.00 0.00 H new ATOM 0 HG21 THR A 169 13.285 9.553 7.575 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.638 8.925 7.327 1.00 0.00 H new ATOM 0 HG23 THR A 169 12.026 10.604 6.882 1.00 0.00 H new ATOM 740 N PRO A 170 8.297 9.388 8.508 1.00 0.00 N ATOM 741 CA PRO A 170 7.396 8.230 8.466 1.00 0.00 C ATOM 742 C PRO A 170 7.922 7.134 7.534 1.00 0.00 C ATOM 743 O PRO A 170 7.903 7.270 6.326 1.00 0.00 O ATOM 744 CB PRO A 170 6.095 8.809 7.909 1.00 0.00 C ATOM 745 CG PRO A 170 6.519 10.007 7.130 1.00 0.00 C ATOM 746 CD PRO A 170 7.719 10.568 7.841 1.00 0.00 C ATOM 0 HA PRO A 170 7.286 7.762 9.444 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.579 8.087 7.276 1.00 0.00 H new ATOM 0 HB3 PRO A 170 5.407 9.080 8.710 1.00 0.00 H new ATOM 0 HG2 PRO A 170 6.766 9.736 6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 170 5.717 10.743 7.081 1.00 0.00 H new ATOM 0 HD2 PRO A 170 8.424 11.022 7.145 1.00 0.00 H new ATOM 0 HD3 PRO A 170 7.438 11.339 8.559 1.00 0.00 H new ATOM 754 N VAL A 171 8.390 6.048 8.087 1.00 0.00 N ATOM 755 CA VAL A 171 8.915 4.946 7.234 1.00 0.00 C ATOM 756 C VAL A 171 8.337 3.612 7.712 1.00 0.00 C ATOM 757 O VAL A 171 7.867 3.492 8.826 1.00 0.00 O ATOM 758 CB VAL A 171 10.441 4.905 7.336 1.00 0.00 C ATOM 759 CG1 VAL A 171 11.016 6.265 6.936 1.00 0.00 C ATOM 760 CG2 VAL A 171 10.847 4.584 8.776 1.00 0.00 C ATOM 0 H VAL A 171 8.431 5.877 9.092 1.00 0.00 H new ATOM 0 HA VAL A 171 8.624 5.119 6.198 1.00 0.00 H new ATOM 0 HB VAL A 171 10.829 4.136 6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 171 12.103 6.236 7.009 1.00 0.00 H new ATOM 0 HG12 VAL A 171 10.727 6.495 5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 171 10.628 7.035 7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 171 11.934 4.555 8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 171 10.459 5.353 9.444 1.00 0.00 H new ATOM 0 HG23 VAL A 171 10.438 3.615 9.062 1.00 0.00 H new ATOM 770 N GLU A 172 8.367 2.609 6.878 1.00 0.00 N ATOM 771 CA GLU A 172 7.819 1.285 7.287 1.00 0.00 C ATOM 772 C GLU A 172 8.972 0.331 7.605 1.00 0.00 C ATOM 773 O GLU A 172 9.885 0.162 6.821 1.00 0.00 O ATOM 774 CB GLU A 172 6.977 0.708 6.147 1.00 0.00 C ATOM 775 CG GLU A 172 5.782 1.626 5.880 1.00 0.00 C ATOM 776 CD GLU A 172 4.925 1.036 4.758 1.00 0.00 C ATOM 777 OE1 GLU A 172 5.365 0.076 4.147 1.00 0.00 O ATOM 778 OE2 GLU A 172 3.844 1.553 4.530 1.00 0.00 O ATOM 0 H GLU A 172 8.747 2.649 5.932 1.00 0.00 H new ATOM 0 HA GLU A 172 7.196 1.407 8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 172 7.583 0.611 5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 172 6.630 -0.292 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.187 1.738 6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 172 6.129 2.621 5.602 1.00 0.00 H new ATOM 785 N LEU A 173 8.938 -0.294 8.750 1.00 0.00 N ATOM 786 CA LEU A 173 10.033 -1.236 9.117 1.00 0.00 C ATOM 787 C LEU A 173 9.431 -2.566 9.574 1.00 0.00 C ATOM 788 O LEU A 173 8.365 -2.608 10.155 1.00 0.00 O ATOM 789 CB LEU A 173 10.864 -0.634 10.253 1.00 0.00 C ATOM 790 CG LEU A 173 11.353 0.757 9.845 1.00 0.00 C ATOM 791 CD1 LEU A 173 12.257 1.321 10.943 1.00 0.00 C ATOM 792 CD2 LEU A 173 12.139 0.658 8.537 1.00 0.00 C ATOM 0 H LEU A 173 8.200 -0.193 9.447 1.00 0.00 H new ATOM 0 HA LEU A 173 10.672 -1.406 8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 173 10.265 -0.569 11.161 1.00 0.00 H new ATOM 0 HB3 LEU A 173 11.714 -1.279 10.477 1.00 0.00 H new ATOM 0 HG LEU A 173 10.497 1.417 9.704 1.00 0.00 H new ATOM 0 HD11 LEU A 173 12.606 2.312 10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 173 11.696 1.392 11.875 1.00 0.00 H new ATOM 0 HD13 LEU A 173 13.113 0.661 11.084 1.00 0.00 H new ATOM 0 HD21 LEU A 173 12.488 1.649 8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 173 12.996 -0.002 8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 173 11.495 0.256 7.755 1.00 0.00 H new ATOM 804 N ASP A 174 10.106 -3.653 9.317 1.00 0.00 N ATOM 805 CA ASP A 174 9.572 -4.978 9.739 1.00 0.00 C ATOM 806 C ASP A 174 9.576 -5.066 11.266 1.00 0.00 C ATOM 807 O ASP A 174 10.086 -4.198 11.946 1.00 0.00 O ATOM 808 CB ASP A 174 10.450 -6.089 9.161 1.00 0.00 C ATOM 809 CG ASP A 174 10.332 -6.092 7.636 1.00 0.00 C ATOM 810 OD1 ASP A 174 9.414 -5.466 7.131 1.00 0.00 O ATOM 811 OD2 ASP A 174 11.161 -6.720 6.998 1.00 0.00 O ATOM 0 H ASP A 174 11.004 -3.680 8.833 1.00 0.00 H new ATOM 0 HA ASP A 174 8.552 -5.093 9.371 1.00 0.00 H new ATOM 0 HB2 ASP A 174 11.488 -5.937 9.456 1.00 0.00 H new ATOM 0 HB3 ASP A 174 10.143 -7.055 9.562 1.00 0.00 H new ATOM 816 N PHE A 175 9.012 -6.108 11.812 1.00 0.00 N ATOM 817 CA PHE A 175 8.986 -6.248 13.295 1.00 0.00 C ATOM 818 C PHE A 175 10.416 -6.403 13.816 1.00 0.00 C ATOM 819 O PHE A 175 10.784 -5.833 14.825 1.00 0.00 O ATOM 820 CB PHE A 175 8.166 -7.484 13.678 1.00 0.00 C ATOM 821 CG PHE A 175 6.888 -7.519 12.871 1.00 0.00 C ATOM 822 CD1 PHE A 175 6.368 -6.338 12.322 1.00 0.00 C ATOM 823 CD2 PHE A 175 6.221 -8.734 12.672 1.00 0.00 C ATOM 824 CE1 PHE A 175 5.185 -6.373 11.577 1.00 0.00 C ATOM 825 CE2 PHE A 175 5.036 -8.769 11.926 1.00 0.00 C ATOM 826 CZ PHE A 175 4.518 -7.589 11.379 1.00 0.00 C ATOM 0 H PHE A 175 8.568 -6.868 11.296 1.00 0.00 H new ATOM 0 HA PHE A 175 8.532 -5.361 13.736 1.00 0.00 H new ATOM 0 HB2 PHE A 175 8.747 -8.388 13.496 1.00 0.00 H new ATOM 0 HB3 PHE A 175 7.934 -7.463 14.743 1.00 0.00 H new ATOM 0 HD1 PHE A 175 6.882 -5.400 12.475 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.620 -9.644 13.094 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.786 -5.463 11.154 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.522 -9.706 11.773 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.604 -7.616 10.804 1.00 0.00 H new ATOM 836 N SER A 176 11.226 -7.169 13.138 1.00 0.00 N ATOM 837 CA SER A 176 12.632 -7.356 13.595 1.00 0.00 C ATOM 838 C SER A 176 13.443 -6.100 13.273 1.00 0.00 C ATOM 839 O SER A 176 14.428 -5.803 13.918 1.00 0.00 O ATOM 840 CB SER A 176 13.246 -8.558 12.876 1.00 0.00 C ATOM 841 OG SER A 176 12.413 -9.694 13.054 1.00 0.00 O ATOM 0 H SER A 176 10.975 -7.673 12.288 1.00 0.00 H new ATOM 0 HA SER A 176 12.645 -7.531 14.671 1.00 0.00 H new ATOM 0 HB2 SER A 176 13.360 -8.340 11.814 1.00 0.00 H new ATOM 0 HB3 SER A 176 14.243 -8.760 13.269 1.00 0.00 H new ATOM 0 HG SER A 176 12.806 -10.464 12.592 1.00 0.00 H new ATOM 847 N GLN A 177 13.035 -5.357 12.280 1.00 0.00 N ATOM 848 CA GLN A 177 13.782 -4.120 11.919 1.00 0.00 C ATOM 849 C GLN A 177 13.620 -3.085 13.033 1.00 0.00 C ATOM 850 O GLN A 177 14.423 -2.186 13.182 1.00 0.00 O ATOM 851 CB GLN A 177 13.227 -3.552 10.611 1.00 0.00 C ATOM 852 CG GLN A 177 13.708 -4.409 9.438 1.00 0.00 C ATOM 853 CD GLN A 177 13.225 -3.792 8.124 1.00 0.00 C ATOM 854 OE1 GLN A 177 12.451 -2.856 8.127 1.00 0.00 O ATOM 855 NE2 GLN A 177 13.651 -4.283 6.992 1.00 0.00 N ATOM 0 H GLN A 177 12.217 -5.554 11.704 1.00 0.00 H new ATOM 0 HA GLN A 177 14.838 -4.357 11.793 1.00 0.00 H new ATOM 0 HB2 GLN A 177 12.138 -3.537 10.642 1.00 0.00 H new ATOM 0 HB3 GLN A 177 13.556 -2.521 10.481 1.00 0.00 H new ATOM 0 HG2 GLN A 177 14.796 -4.474 9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 177 13.327 -5.426 9.536 1.00 0.00 H new ATOM 0 HE21 GLN A 177 14.301 -5.069 6.989 1.00 0.00 H new ATOM 0 HE22 GLN A 177 13.334 -3.881 6.110 1.00 0.00 H new ATOM 864 N VAL A 178 12.583 -3.204 13.818 1.00 0.00 N ATOM 865 CA VAL A 178 12.369 -2.227 14.922 1.00 0.00 C ATOM 866 C VAL A 178 12.038 -2.982 16.212 1.00 0.00 C ATOM 867 O VAL A 178 11.588 -4.109 16.182 1.00 0.00 O ATOM 868 CB VAL A 178 11.209 -1.297 14.562 1.00 0.00 C ATOM 869 CG1 VAL A 178 11.439 -0.711 13.168 1.00 0.00 C ATOM 870 CG2 VAL A 178 9.899 -2.088 14.572 1.00 0.00 C ATOM 0 H VAL A 178 11.876 -3.935 13.742 1.00 0.00 H new ATOM 0 HA VAL A 178 13.274 -1.638 15.068 1.00 0.00 H new ATOM 0 HB VAL A 178 11.152 -0.489 15.291 1.00 0.00 H new ATOM 0 HG11 VAL A 178 10.613 -0.048 12.911 1.00 0.00 H new ATOM 0 HG12 VAL A 178 12.372 -0.148 13.160 1.00 0.00 H new ATOM 0 HG13 VAL A 178 11.496 -1.519 12.439 1.00 0.00 H new ATOM 0 HG21 VAL A 178 9.072 -1.426 14.316 1.00 0.00 H new ATOM 0 HG22 VAL A 178 9.956 -2.896 13.843 1.00 0.00 H new ATOM 0 HG23 VAL A 178 9.734 -2.506 15.565 1.00 0.00 H new ATOM 880 N GLU A 179 12.256 -2.368 17.342 1.00 0.00 N ATOM 881 CA GLU A 179 11.953 -3.053 18.630 1.00 0.00 C ATOM 882 C GLU A 179 10.823 -2.313 19.348 1.00 0.00 C ATOM 883 O GLU A 179 10.664 -1.117 19.207 1.00 0.00 O ATOM 884 CB GLU A 179 13.203 -3.055 19.513 1.00 0.00 C ATOM 885 CG GLU A 179 14.348 -3.752 18.775 1.00 0.00 C ATOM 886 CD GLU A 179 15.591 -3.773 19.665 1.00 0.00 C ATOM 887 OE1 GLU A 179 15.576 -3.106 20.687 1.00 0.00 O ATOM 888 OE2 GLU A 179 16.538 -4.455 19.310 1.00 0.00 O ATOM 0 H GLU A 179 12.630 -1.423 17.429 1.00 0.00 H new ATOM 0 HA GLU A 179 11.646 -4.080 18.432 1.00 0.00 H new ATOM 0 HB2 GLU A 179 13.486 -2.033 19.763 1.00 0.00 H new ATOM 0 HB3 GLU A 179 12.997 -3.567 20.453 1.00 0.00 H new ATOM 0 HG2 GLU A 179 14.059 -4.770 18.512 1.00 0.00 H new ATOM 0 HG3 GLU A 179 14.564 -3.231 17.842 1.00 0.00 H new ATOM 895 N LYS A 180 10.037 -3.014 20.117 1.00 0.00 N ATOM 896 CA LYS A 180 8.917 -2.351 20.842 1.00 0.00 C ATOM 897 C LYS A 180 9.486 -1.381 21.880 1.00 0.00 C ATOM 898 O LYS A 180 10.465 -1.667 22.541 1.00 0.00 O ATOM 899 CB LYS A 180 8.067 -3.411 21.547 1.00 0.00 C ATOM 900 CG LYS A 180 6.748 -2.786 22.003 1.00 0.00 C ATOM 901 CD LYS A 180 5.879 -3.857 22.664 1.00 0.00 C ATOM 902 CE LYS A 180 4.467 -3.308 22.878 1.00 0.00 C ATOM 903 NZ LYS A 180 4.204 -3.168 24.338 1.00 0.00 N ATOM 0 H LYS A 180 10.122 -4.018 20.275 1.00 0.00 H new ATOM 0 HA LYS A 180 8.298 -1.803 20.132 1.00 0.00 H new ATOM 0 HB2 LYS A 180 7.873 -4.245 20.872 1.00 0.00 H new ATOM 0 HB3 LYS A 180 8.606 -3.814 22.404 1.00 0.00 H new ATOM 0 HG2 LYS A 180 6.941 -1.975 22.705 1.00 0.00 H new ATOM 0 HG3 LYS A 180 6.225 -2.353 21.151 1.00 0.00 H new ATOM 0 HD2 LYS A 180 5.843 -4.749 22.038 1.00 0.00 H new ATOM 0 HD3 LYS A 180 6.313 -4.155 23.618 1.00 0.00 H new ATOM 0 HE2 LYS A 180 4.362 -2.342 22.385 1.00 0.00 H new ATOM 0 HE3 LYS A 180 3.733 -3.977 22.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 3.244 -2.795 24.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 4.287 -4.098 24.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 4.897 -2.514 24.754 1.00 0.00 H new ATOM 917 N ALA A 181 8.880 -0.234 22.029 1.00 0.00 N ATOM 918 CA ALA A 181 9.387 0.752 23.023 1.00 0.00 C ATOM 919 C ALA A 181 9.018 0.289 24.434 1.00 0.00 C ATOM 920 O ALA A 181 8.987 1.070 25.365 1.00 0.00 O ATOM 921 CB ALA A 181 8.754 2.119 22.753 1.00 0.00 C ATOM 0 H ALA A 181 8.056 0.062 21.505 1.00 0.00 H new ATOM 0 HA ALA A 181 10.471 0.830 22.938 1.00 0.00 H new ATOM 0 HB1 ALA A 181 9.124 2.842 23.480 1.00 0.00 H new ATOM 0 HB2 ALA A 181 9.016 2.449 21.748 1.00 0.00 H new ATOM 0 HB3 ALA A 181 7.670 2.041 22.839 1.00 0.00 H new