USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=7 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 -121:sc= -0.0406 (180deg=-0.491) USER MOD Single : A 137 ASN : amide:sc= -1.91! C(o=-1.9!,f=-8.5!) USER MOD Single : A 145 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 153 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 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= 0.998 K(o=1,f=-6.5!) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PHE A 128 3.222 -4.828 18.244 1.00 0.00 N ATOM 95 CA PHE A 128 3.131 -3.340 18.274 1.00 0.00 C ATOM 96 C PHE A 128 1.701 -2.911 17.941 1.00 0.00 C ATOM 97 O PHE A 128 1.057 -3.479 17.082 1.00 0.00 O ATOM 98 CB PHE A 128 4.093 -2.749 17.242 1.00 0.00 C ATOM 99 CG PHE A 128 5.482 -3.293 17.480 1.00 0.00 C ATOM 100 CD1 PHE A 128 6.357 -2.627 18.347 1.00 0.00 C ATOM 101 CD2 PHE A 128 5.894 -4.464 16.834 1.00 0.00 C ATOM 102 CE1 PHE A 128 7.643 -3.132 18.567 1.00 0.00 C ATOM 103 CE2 PHE A 128 7.182 -4.970 17.054 1.00 0.00 C ATOM 104 CZ PHE A 128 8.056 -4.303 17.922 1.00 0.00 C ATOM 0 HA PHE A 128 3.398 -2.979 19.267 1.00 0.00 H new ATOM 0 HB2 PHE A 128 3.761 -2.999 16.234 1.00 0.00 H new ATOM 0 HB3 PHE A 128 4.099 -1.661 17.315 1.00 0.00 H new ATOM 0 HD1 PHE A 128 6.039 -1.723 18.846 1.00 0.00 H new ATOM 0 HD2 PHE A 128 5.219 -4.978 16.166 1.00 0.00 H new ATOM 0 HE1 PHE A 128 8.318 -2.618 19.235 1.00 0.00 H new ATOM 0 HE2 PHE A 128 7.501 -5.873 16.555 1.00 0.00 H new ATOM 0 HZ PHE A 128 9.049 -4.693 18.093 1.00 0.00 H new ATOM 114 N GLU A 129 1.201 -1.909 18.610 1.00 0.00 N ATOM 115 CA GLU A 129 -0.187 -1.444 18.330 1.00 0.00 C ATOM 116 C GLU A 129 -0.158 0.038 17.947 1.00 0.00 C ATOM 117 O GLU A 129 0.739 0.767 18.321 1.00 0.00 O ATOM 118 CB GLU A 129 -1.051 -1.633 19.578 1.00 0.00 C ATOM 119 CG GLU A 129 -1.882 -2.909 19.435 1.00 0.00 C ATOM 120 CD GLU A 129 -2.192 -3.475 20.821 1.00 0.00 C ATOM 121 OE1 GLU A 129 -1.548 -3.056 21.768 1.00 0.00 O ATOM 122 OE2 GLU A 129 -3.070 -4.318 20.914 1.00 0.00 O ATOM 0 H GLU A 129 1.693 -1.392 19.338 1.00 0.00 H new ATOM 0 HA GLU A 129 -0.607 -2.024 17.509 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -0.420 -1.695 20.464 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -1.707 -0.773 19.713 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -2.809 -2.694 18.903 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -1.338 -3.645 18.843 1.00 0.00 H new ATOM 129 N PRO A 130 -1.166 0.486 17.184 1.00 0.00 N ATOM 130 CA PRO A 130 -1.264 1.884 16.743 1.00 0.00 C ATOM 131 C PRO A 130 -1.124 2.861 17.914 1.00 0.00 C ATOM 132 O PRO A 130 -1.793 2.739 18.920 1.00 0.00 O ATOM 133 CB PRO A 130 -2.670 1.976 16.153 1.00 0.00 C ATOM 134 CG PRO A 130 -3.436 0.895 16.838 1.00 0.00 C ATOM 135 CD PRO A 130 -2.458 -0.216 17.092 1.00 0.00 C ATOM 0 HA PRO A 130 -0.474 2.147 16.040 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.114 2.954 16.337 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.657 1.830 15.073 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.867 1.255 17.772 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -4.263 0.551 16.217 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -2.690 -0.754 18.011 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.462 -0.948 16.284 1.00 0.00 H new ATOM 143 N GLY A 131 -0.258 3.830 17.791 1.00 0.00 N ATOM 144 CA GLY A 131 -0.077 4.812 18.896 1.00 0.00 C ATOM 145 C GLY A 131 0.904 4.246 19.925 1.00 0.00 C ATOM 146 O GLY A 131 1.029 4.753 21.022 1.00 0.00 O ATOM 0 H GLY A 131 0.332 3.983 16.973 1.00 0.00 H new ATOM 0 HA2 GLY A 131 0.298 5.756 18.500 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -1.036 5.024 19.370 1.00 0.00 H new ATOM 150 N GLU A 132 1.602 3.199 19.580 1.00 0.00 N ATOM 151 CA GLU A 132 2.573 2.602 20.538 1.00 0.00 C ATOM 152 C GLU A 132 3.996 2.988 20.128 1.00 0.00 C ATOM 153 O GLU A 132 4.363 2.901 18.972 1.00 0.00 O ATOM 154 CB GLU A 132 2.432 1.079 20.526 1.00 0.00 C ATOM 155 CG GLU A 132 3.267 0.480 21.659 1.00 0.00 C ATOM 156 CD GLU A 132 3.289 -1.044 21.526 1.00 0.00 C ATOM 157 OE1 GLU A 132 2.599 -1.554 20.658 1.00 0.00 O ATOM 158 OE2 GLU A 132 3.995 -1.676 22.294 1.00 0.00 O ATOM 0 H GLU A 132 1.541 2.731 18.676 1.00 0.00 H new ATOM 0 HA GLU A 132 2.370 2.976 21.542 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.385 0.799 20.644 1.00 0.00 H new ATOM 0 HB3 GLU A 132 2.762 0.680 19.567 1.00 0.00 H new ATOM 0 HG2 GLU A 132 4.283 0.873 21.624 1.00 0.00 H new ATOM 0 HG3 GLU A 132 2.848 0.765 22.624 1.00 0.00 H new ATOM 165 N MET A 133 4.799 3.412 21.064 1.00 0.00 N ATOM 166 CA MET A 133 6.198 3.803 20.726 1.00 0.00 C ATOM 167 C MET A 133 7.000 2.557 20.346 1.00 0.00 C ATOM 168 O MET A 133 6.801 1.490 20.892 1.00 0.00 O ATOM 169 CB MET A 133 6.846 4.477 21.938 1.00 0.00 C ATOM 170 CG MET A 133 6.211 5.851 22.158 1.00 0.00 C ATOM 171 SD MET A 133 7.122 6.737 23.446 1.00 0.00 S ATOM 172 CE MET A 133 8.534 7.230 22.427 1.00 0.00 C ATOM 0 H MET A 133 4.548 3.505 22.048 1.00 0.00 H new ATOM 0 HA MET A 133 6.188 4.497 19.886 1.00 0.00 H new ATOM 0 HB2 MET A 133 6.715 3.858 22.825 1.00 0.00 H new ATOM 0 HB3 MET A 133 7.919 4.582 21.779 1.00 0.00 H new ATOM 0 HG2 MET A 133 6.224 6.422 21.230 1.00 0.00 H new ATOM 0 HG3 MET A 133 5.166 5.738 22.448 1.00 0.00 H new ATOM 0 HE1 MET A 133 9.451 6.827 22.857 1.00 0.00 H new ATOM 0 HE2 MET A 133 8.406 6.842 21.416 1.00 0.00 H new ATOM 0 HE3 MET A 133 8.596 8.318 22.393 1.00 0.00 H new ATOM 182 N VAL A 134 7.906 2.685 19.417 1.00 0.00 N ATOM 183 CA VAL A 134 8.720 1.508 19.003 1.00 0.00 C ATOM 184 C VAL A 134 10.196 1.908 18.942 1.00 0.00 C ATOM 185 O VAL A 134 10.553 3.043 19.186 1.00 0.00 O ATOM 186 CB VAL A 134 8.263 1.030 17.623 1.00 0.00 C ATOM 187 CG1 VAL A 134 8.702 -0.420 17.414 1.00 0.00 C ATOM 188 CG2 VAL A 134 6.738 1.119 17.533 1.00 0.00 C ATOM 0 H VAL A 134 8.118 3.554 18.926 1.00 0.00 H new ATOM 0 HA VAL A 134 8.590 0.703 19.726 1.00 0.00 H new ATOM 0 HB VAL A 134 8.711 1.659 16.854 1.00 0.00 H new ATOM 0 HG11 VAL A 134 8.377 -0.761 16.431 1.00 0.00 H new ATOM 0 HG12 VAL A 134 9.788 -0.484 17.479 1.00 0.00 H new ATOM 0 HG13 VAL A 134 8.255 -1.050 18.183 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.411 0.779 16.550 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.291 0.490 18.302 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.424 2.152 17.682 1.00 0.00 H new ATOM 198 N ARG A 135 11.056 0.983 18.615 1.00 0.00 N ATOM 199 CA ARG A 135 12.508 1.308 18.537 1.00 0.00 C ATOM 200 C ARG A 135 13.063 0.828 17.194 1.00 0.00 C ATOM 201 O ARG A 135 12.771 -0.264 16.747 1.00 0.00 O ATOM 202 CB ARG A 135 13.249 0.604 19.675 1.00 0.00 C ATOM 203 CG ARG A 135 14.705 1.071 19.705 1.00 0.00 C ATOM 204 CD ARG A 135 15.471 0.286 20.772 1.00 0.00 C ATOM 205 NE ARG A 135 14.883 0.565 22.112 1.00 0.00 N ATOM 206 CZ ARG A 135 15.154 -0.220 23.119 1.00 0.00 C ATOM 207 NH1 ARG A 135 14.814 -1.479 23.075 1.00 0.00 N ATOM 208 NH2 ARG A 135 15.765 0.254 24.170 1.00 0.00 N ATOM 0 H ARG A 135 10.816 0.016 18.398 1.00 0.00 H new ATOM 0 HA ARG A 135 12.646 2.386 18.625 1.00 0.00 H new ATOM 0 HB2 ARG A 135 12.766 0.823 20.627 1.00 0.00 H new ATOM 0 HB3 ARG A 135 13.206 -0.476 19.537 1.00 0.00 H new ATOM 0 HG2 ARG A 135 15.166 0.923 18.728 1.00 0.00 H new ATOM 0 HG3 ARG A 135 14.751 2.138 19.920 1.00 0.00 H new ATOM 0 HD2 ARG A 135 15.423 -0.782 20.557 1.00 0.00 H new ATOM 0 HD3 ARG A 135 16.524 0.567 20.760 1.00 0.00 H new ATOM 0 HE ARG A 135 14.269 1.369 22.243 1.00 0.00 H new ATOM 0 HH11 ARG A 135 14.336 -1.850 22.254 1.00 0.00 H new ATOM 0 HH12 ARG A 135 15.026 -2.092 23.862 1.00 0.00 H new ATOM 0 HH21 ARG A 135 16.031 1.238 24.205 1.00 0.00 H new ATOM 0 HH22 ARG A 135 15.977 -0.360 24.957 1.00 0.00 H new ATOM 222 N VAL A 136 13.860 1.633 16.546 1.00 0.00 N ATOM 223 CA VAL A 136 14.429 1.217 15.234 1.00 0.00 C ATOM 224 C VAL A 136 15.910 0.872 15.405 1.00 0.00 C ATOM 225 O VAL A 136 16.671 1.627 15.975 1.00 0.00 O ATOM 226 CB VAL A 136 14.285 2.361 14.228 1.00 0.00 C ATOM 227 CG1 VAL A 136 14.753 1.891 12.849 1.00 0.00 C ATOM 228 CG2 VAL A 136 12.818 2.789 14.150 1.00 0.00 C ATOM 0 H VAL A 136 14.141 2.559 16.868 1.00 0.00 H new ATOM 0 HA VAL A 136 13.892 0.342 14.868 1.00 0.00 H new ATOM 0 HB VAL A 136 14.894 3.206 14.549 1.00 0.00 H new ATOM 0 HG11 VAL A 136 14.650 2.706 12.133 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.798 1.586 12.904 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.145 1.046 12.527 1.00 0.00 H new ATOM 0 HG21 VAL A 136 12.714 3.604 13.434 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.209 1.944 13.829 1.00 0.00 H new ATOM 0 HG23 VAL A 136 12.484 3.124 15.132 1.00 0.00 H new ATOM 238 N ASN A 137 16.324 -0.265 14.914 1.00 0.00 N ATOM 239 CA ASN A 137 17.755 -0.658 15.049 1.00 0.00 C ATOM 240 C ASN A 137 18.313 -1.029 13.674 1.00 0.00 C ATOM 241 O ASN A 137 19.339 -1.670 13.562 1.00 0.00 O ATOM 242 CB ASN A 137 17.867 -1.862 15.987 1.00 0.00 C ATOM 243 CG ASN A 137 17.074 -3.036 15.407 1.00 0.00 C ATOM 244 OD1 ASN A 137 16.853 -3.103 14.214 1.00 0.00 O ATOM 245 ND2 ASN A 137 16.636 -3.969 16.206 1.00 0.00 N ATOM 0 H ASN A 137 15.733 -0.938 14.426 1.00 0.00 H new ATOM 0 HA ASN A 137 18.324 0.176 15.459 1.00 0.00 H new ATOM 0 HB2 ASN A 137 18.913 -2.142 16.113 1.00 0.00 H new ATOM 0 HB3 ASN A 137 17.485 -1.604 16.975 1.00 0.00 H new ATOM 0 HD21 ASN A 137 16.107 -4.756 15.830 1.00 0.00 H new ATOM 0 HD22 ASN A 137 16.822 -3.912 17.207 1.00 0.00 H new ATOM 252 N ASP A 138 17.644 -0.631 12.626 1.00 0.00 N ATOM 253 CA ASP A 138 18.137 -0.962 11.259 1.00 0.00 C ATOM 254 C ASP A 138 18.001 0.267 10.356 1.00 0.00 C ATOM 255 O ASP A 138 17.095 1.062 10.506 1.00 0.00 O ATOM 256 CB ASP A 138 17.308 -2.111 10.683 1.00 0.00 C ATOM 257 CG ASP A 138 17.877 -2.518 9.322 1.00 0.00 C ATOM 258 OD1 ASP A 138 18.923 -2.005 8.961 1.00 0.00 O ATOM 259 OD2 ASP A 138 17.255 -3.335 8.663 1.00 0.00 O ATOM 0 H ASP A 138 16.779 -0.092 12.657 1.00 0.00 H new ATOM 0 HA ASP A 138 19.184 -1.260 11.313 1.00 0.00 H new ATOM 0 HB2 ASP A 138 17.323 -2.962 11.364 1.00 0.00 H new ATOM 0 HB3 ASP A 138 16.267 -1.805 10.577 1.00 0.00 H new ATOM 264 N GLY A 139 18.897 0.429 9.421 1.00 0.00 N ATOM 265 CA GLY A 139 18.818 1.606 8.511 1.00 0.00 C ATOM 266 C GLY A 139 19.262 2.863 9.262 1.00 0.00 C ATOM 267 O GLY A 139 19.501 2.832 10.453 1.00 0.00 O ATOM 0 H GLY A 139 19.679 -0.202 9.248 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.452 1.448 7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 139 17.798 1.729 8.146 1.00 0.00 H new ATOM 271 N PRO A 140 19.374 3.989 8.544 1.00 0.00 N ATOM 272 CA PRO A 140 19.789 5.268 9.136 1.00 0.00 C ATOM 273 C PRO A 140 18.872 5.688 10.287 1.00 0.00 C ATOM 274 O PRO A 140 19.214 6.532 11.091 1.00 0.00 O ATOM 275 CB PRO A 140 19.661 6.258 7.978 1.00 0.00 C ATOM 276 CG PRO A 140 18.645 5.647 7.074 1.00 0.00 C ATOM 277 CD PRO A 140 18.822 4.160 7.189 1.00 0.00 C ATOM 0 HA PRO A 140 20.792 5.215 9.560 1.00 0.00 H new ATOM 0 HB2 PRO A 140 19.341 7.239 8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 140 20.614 6.397 7.467 1.00 0.00 H new ATOM 0 HG2 PRO A 140 17.637 5.943 7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.790 5.978 6.046 1.00 0.00 H new ATOM 0 HD2 PRO A 140 17.876 3.632 7.070 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.500 3.775 6.427 1.00 0.00 H new ATOM 285 N PHE A 141 17.707 5.106 10.374 1.00 0.00 N ATOM 286 CA PHE A 141 16.771 5.473 11.472 1.00 0.00 C ATOM 287 C PHE A 141 17.022 4.568 12.679 1.00 0.00 C ATOM 288 O PHE A 141 16.238 4.522 13.606 1.00 0.00 O ATOM 289 CB PHE A 141 15.329 5.297 10.993 1.00 0.00 C ATOM 290 CG PHE A 141 15.061 6.243 9.847 1.00 0.00 C ATOM 291 CD1 PHE A 141 14.722 7.575 10.105 1.00 0.00 C ATOM 292 CD2 PHE A 141 15.151 5.786 8.526 1.00 0.00 C ATOM 293 CE1 PHE A 141 14.473 8.453 9.043 1.00 0.00 C ATOM 294 CE2 PHE A 141 14.900 6.663 7.464 1.00 0.00 C ATOM 295 CZ PHE A 141 14.561 7.997 7.723 1.00 0.00 C ATOM 0 H PHE A 141 17.364 4.392 9.731 1.00 0.00 H new ATOM 0 HA PHE A 141 16.934 6.512 11.757 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.163 4.268 10.675 1.00 0.00 H new ATOM 0 HB3 PHE A 141 14.636 5.494 11.811 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.652 7.927 11.124 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.414 4.758 8.327 1.00 0.00 H new ATOM 0 HE1 PHE A 141 14.213 9.482 9.243 1.00 0.00 H new ATOM 0 HE2 PHE A 141 14.968 6.311 6.445 1.00 0.00 H new ATOM 0 HZ PHE A 141 14.367 8.674 6.904 1.00 0.00 H new ATOM 305 N ALA A 142 18.109 3.847 12.675 1.00 0.00 N ATOM 306 CA ALA A 142 18.410 2.946 13.822 1.00 0.00 C ATOM 307 C ALA A 142 18.826 3.783 15.034 1.00 0.00 C ATOM 308 O ALA A 142 19.434 4.827 14.900 1.00 0.00 O ATOM 309 CB ALA A 142 19.549 1.999 13.441 1.00 0.00 C ATOM 0 H ALA A 142 18.802 3.843 11.927 1.00 0.00 H new ATOM 0 HA ALA A 142 17.522 2.365 14.070 1.00 0.00 H new ATOM 0 HB1 ALA A 142 19.770 1.339 14.280 1.00 0.00 H new ATOM 0 HB2 ALA A 142 19.253 1.402 12.578 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.437 2.580 13.193 1.00 0.00 H new ATOM 315 N ASP A 143 18.505 3.333 16.216 1.00 0.00 N ATOM 316 CA ASP A 143 18.884 4.104 17.434 1.00 0.00 C ATOM 317 C ASP A 143 17.957 5.311 17.584 1.00 0.00 C ATOM 318 O ASP A 143 18.332 6.330 18.131 1.00 0.00 O ATOM 319 CB ASP A 143 20.330 4.585 17.305 1.00 0.00 C ATOM 320 CG ASP A 143 20.905 4.853 18.697 1.00 0.00 C ATOM 321 OD1 ASP A 143 20.210 4.587 19.664 1.00 0.00 O ATOM 322 OD2 ASP A 143 22.030 5.320 18.773 1.00 0.00 O ATOM 0 H ASP A 143 17.997 2.466 16.391 1.00 0.00 H new ATOM 0 HA ASP A 143 18.791 3.464 18.311 1.00 0.00 H new ATOM 0 HB2 ASP A 143 20.930 3.834 16.791 1.00 0.00 H new ATOM 0 HB3 ASP A 143 20.370 5.492 16.702 1.00 0.00 H new ATOM 327 N PHE A 144 16.749 5.209 17.102 1.00 0.00 N ATOM 328 CA PHE A 144 15.801 6.352 17.218 1.00 0.00 C ATOM 329 C PHE A 144 14.452 5.847 17.738 1.00 0.00 C ATOM 330 O PHE A 144 14.035 4.746 17.443 1.00 0.00 O ATOM 331 CB PHE A 144 15.608 6.997 15.844 1.00 0.00 C ATOM 332 CG PHE A 144 16.887 7.682 15.425 1.00 0.00 C ATOM 333 CD1 PHE A 144 17.861 6.971 14.712 1.00 0.00 C ATOM 334 CD2 PHE A 144 17.100 9.026 15.750 1.00 0.00 C ATOM 335 CE1 PHE A 144 19.046 7.607 14.323 1.00 0.00 C ATOM 336 CE2 PHE A 144 18.286 9.661 15.361 1.00 0.00 C ATOM 337 CZ PHE A 144 19.259 8.952 14.648 1.00 0.00 C ATOM 0 H PHE A 144 16.378 4.383 16.633 1.00 0.00 H new ATOM 0 HA PHE A 144 16.205 7.089 17.912 1.00 0.00 H new ATOM 0 HB2 PHE A 144 15.331 6.240 15.111 1.00 0.00 H new ATOM 0 HB3 PHE A 144 14.792 7.718 15.881 1.00 0.00 H new ATOM 0 HD1 PHE A 144 17.698 5.933 14.463 1.00 0.00 H new ATOM 0 HD2 PHE A 144 16.350 9.574 16.301 1.00 0.00 H new ATOM 0 HE1 PHE A 144 19.796 7.060 13.772 1.00 0.00 H new ATOM 0 HE2 PHE A 144 18.450 10.699 15.612 1.00 0.00 H new ATOM 0 HZ PHE A 144 20.174 9.442 14.349 1.00 0.00 H new ATOM 347 N ASN A 145 13.767 6.646 18.511 1.00 0.00 N ATOM 348 CA ASN A 145 12.447 6.211 19.048 1.00 0.00 C ATOM 349 C ASN A 145 11.328 6.801 18.188 1.00 0.00 C ATOM 350 O ASN A 145 11.428 7.908 17.696 1.00 0.00 O ATOM 351 CB ASN A 145 12.295 6.703 20.489 1.00 0.00 C ATOM 352 CG ASN A 145 13.399 6.093 21.356 1.00 0.00 C ATOM 353 OD1 ASN A 145 13.974 5.082 21.006 1.00 0.00 O ATOM 354 ND2 ASN A 145 13.721 6.670 22.482 1.00 0.00 N ATOM 0 H ASN A 145 14.065 7.580 18.793 1.00 0.00 H new ATOM 0 HA ASN A 145 12.387 5.123 19.027 1.00 0.00 H new ATOM 0 HB2 ASN A 145 12.352 7.791 20.521 1.00 0.00 H new ATOM 0 HB3 ASN A 145 11.316 6.424 20.878 1.00 0.00 H new ATOM 0 HD21 ASN A 145 14.455 6.272 23.067 1.00 0.00 H new ATOM 0 HD22 ASN A 145 13.238 7.519 22.776 1.00 0.00 H new ATOM 361 N GLY A 146 10.262 6.072 18.005 1.00 0.00 N ATOM 362 CA GLY A 146 9.137 6.592 17.178 1.00 0.00 C ATOM 363 C GLY A 146 7.846 5.863 17.556 1.00 0.00 C ATOM 364 O GLY A 146 7.832 5.018 18.428 1.00 0.00 O ATOM 0 H GLY A 146 10.121 5.139 18.392 1.00 0.00 H new ATOM 0 HA2 GLY A 146 9.021 7.664 17.336 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.352 6.447 16.119 1.00 0.00 H new ATOM 368 N VAL A 147 6.760 6.182 16.905 1.00 0.00 N ATOM 369 CA VAL A 147 5.473 5.506 17.229 1.00 0.00 C ATOM 370 C VAL A 147 4.899 4.871 15.961 1.00 0.00 C ATOM 371 O VAL A 147 5.203 5.280 14.857 1.00 0.00 O ATOM 372 CB VAL A 147 4.480 6.532 17.780 1.00 0.00 C ATOM 373 CG1 VAL A 147 3.217 5.814 18.259 1.00 0.00 C ATOM 374 CG2 VAL A 147 5.118 7.280 18.951 1.00 0.00 C ATOM 0 H VAL A 147 6.709 6.881 16.164 1.00 0.00 H new ATOM 0 HA VAL A 147 5.647 4.733 17.977 1.00 0.00 H new ATOM 0 HB VAL A 147 4.218 7.242 16.996 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.510 6.545 18.651 1.00 0.00 H new ATOM 0 HG12 VAL A 147 2.762 5.281 17.424 1.00 0.00 H new ATOM 0 HG13 VAL A 147 3.478 5.104 19.044 1.00 0.00 H new ATOM 0 HG21 VAL A 147 4.411 8.011 19.344 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.381 6.571 19.736 1.00 0.00 H new ATOM 0 HG23 VAL A 147 6.017 7.792 18.609 1.00 0.00 H new ATOM 384 N VAL A 148 4.071 3.873 16.108 1.00 0.00 N ATOM 385 CA VAL A 148 3.479 3.212 14.911 1.00 0.00 C ATOM 386 C VAL A 148 2.179 3.923 14.529 1.00 0.00 C ATOM 387 O VAL A 148 1.142 3.703 15.122 1.00 0.00 O ATOM 388 CB VAL A 148 3.183 1.747 15.232 1.00 0.00 C ATOM 389 CG1 VAL A 148 2.465 1.100 14.047 1.00 0.00 C ATOM 390 CG2 VAL A 148 4.497 1.007 15.498 1.00 0.00 C ATOM 0 H VAL A 148 3.779 3.487 17.006 1.00 0.00 H new ATOM 0 HA VAL A 148 4.182 3.267 14.080 1.00 0.00 H new ATOM 0 HB VAL A 148 2.548 1.690 16.116 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.254 0.055 14.276 1.00 0.00 H new ATOM 0 HG12 VAL A 148 1.529 1.626 13.857 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.099 1.157 13.162 1.00 0.00 H new ATOM 0 HG21 VAL A 148 4.286 -0.038 15.727 1.00 0.00 H new ATOM 0 HG22 VAL A 148 5.132 1.064 14.614 1.00 0.00 H new ATOM 0 HG23 VAL A 148 5.009 1.467 16.343 1.00 0.00 H new ATOM 400 N GLU A 149 2.225 4.773 13.539 1.00 0.00 N ATOM 401 CA GLU A 149 0.991 5.495 13.118 1.00 0.00 C ATOM 402 C GLU A 149 -0.020 4.494 12.558 1.00 0.00 C ATOM 403 O GLU A 149 -1.209 4.609 12.779 1.00 0.00 O ATOM 404 CB GLU A 149 1.344 6.522 12.040 1.00 0.00 C ATOM 405 CG GLU A 149 2.332 7.542 12.611 1.00 0.00 C ATOM 406 CD GLU A 149 2.616 8.619 11.563 1.00 0.00 C ATOM 407 OE1 GLU A 149 2.254 8.412 10.416 1.00 0.00 O ATOM 408 OE2 GLU A 149 3.191 9.633 11.925 1.00 0.00 O ATOM 0 H GLU A 149 3.064 4.998 13.004 1.00 0.00 H new ATOM 0 HA GLU A 149 0.557 6.006 13.978 1.00 0.00 H new ATOM 0 HB2 GLU A 149 1.780 6.022 11.175 1.00 0.00 H new ATOM 0 HB3 GLU A 149 0.442 7.027 11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 149 1.922 7.996 13.513 1.00 0.00 H new ATOM 0 HG3 GLU A 149 3.259 7.045 12.898 1.00 0.00 H new ATOM 415 N GLU A 150 0.442 3.510 11.836 1.00 0.00 N ATOM 416 CA GLU A 150 -0.493 2.502 11.264 1.00 0.00 C ATOM 417 C GLU A 150 0.184 1.130 11.247 1.00 0.00 C ATOM 418 O GLU A 150 1.382 1.017 11.412 1.00 0.00 O ATOM 419 CB GLU A 150 -0.867 2.906 9.836 1.00 0.00 C ATOM 420 CG GLU A 150 -1.594 4.250 9.860 1.00 0.00 C ATOM 421 CD GLU A 150 -2.056 4.606 8.446 1.00 0.00 C ATOM 422 OE1 GLU A 150 -1.662 3.913 7.523 1.00 0.00 O ATOM 423 OE2 GLU A 150 -2.797 5.567 8.310 1.00 0.00 O ATOM 0 H GLU A 150 1.427 3.361 11.618 1.00 0.00 H new ATOM 0 HA GLU A 150 -1.394 2.454 11.875 1.00 0.00 H new ATOM 0 HB2 GLU A 150 0.030 2.976 9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -1.504 2.144 9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -2.451 4.200 10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -0.932 5.026 10.244 1.00 0.00 H new ATOM 430 N VAL A 151 -0.575 0.086 11.049 1.00 0.00 N ATOM 431 CA VAL A 151 0.027 -1.276 11.023 1.00 0.00 C ATOM 432 C VAL A 151 -0.434 -2.014 9.765 1.00 0.00 C ATOM 433 O VAL A 151 -1.509 -1.774 9.253 1.00 0.00 O ATOM 434 CB VAL A 151 -0.419 -2.053 12.263 1.00 0.00 C ATOM 435 CG1 VAL A 151 0.288 -3.410 12.296 1.00 0.00 C ATOM 436 CG2 VAL A 151 -0.058 -1.259 13.520 1.00 0.00 C ATOM 0 H VAL A 151 -1.584 0.118 10.904 1.00 0.00 H new ATOM 0 HA VAL A 151 1.114 -1.193 11.017 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.498 -2.206 12.227 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.029 -3.964 13.179 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.031 -3.976 11.401 1.00 0.00 H new ATOM 0 HG13 VAL A 151 1.367 -3.257 12.331 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.376 -1.812 14.404 1.00 0.00 H new ATOM 0 HG22 VAL A 151 1.021 -1.106 13.556 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -0.561 -0.292 13.497 1.00 0.00 H new ATOM 446 N ASP A 152 0.370 -2.910 9.263 1.00 0.00 N ATOM 447 CA ASP A 152 -0.024 -3.662 8.037 1.00 0.00 C ATOM 448 C ASP A 152 0.274 -5.149 8.235 1.00 0.00 C ATOM 449 O ASP A 152 1.300 -5.648 7.815 1.00 0.00 O ATOM 450 CB ASP A 152 0.768 -3.136 6.840 1.00 0.00 C ATOM 451 CG ASP A 152 0.361 -1.690 6.554 1.00 0.00 C ATOM 452 OD1 ASP A 152 -0.658 -1.267 7.077 1.00 0.00 O ATOM 453 OD2 ASP A 152 1.074 -1.028 5.818 1.00 0.00 O ATOM 0 H ASP A 152 1.282 -3.154 9.648 1.00 0.00 H new ATOM 0 HA ASP A 152 -1.090 -3.527 7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 152 1.837 -3.190 7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 152 0.580 -3.758 5.965 1.00 0.00 H new ATOM 458 N TYR A 153 -0.613 -5.863 8.871 1.00 0.00 N ATOM 459 CA TYR A 153 -0.380 -7.317 9.095 1.00 0.00 C ATOM 460 C TYR A 153 -0.355 -8.043 7.748 1.00 0.00 C ATOM 461 O TYR A 153 0.416 -8.959 7.539 1.00 0.00 O ATOM 462 CB TYR A 153 -1.505 -7.886 9.960 1.00 0.00 C ATOM 463 CG TYR A 153 -1.512 -7.183 11.297 1.00 0.00 C ATOM 464 CD1 TYR A 153 -0.623 -7.582 12.302 1.00 0.00 C ATOM 465 CD2 TYR A 153 -2.409 -6.134 11.531 1.00 0.00 C ATOM 466 CE1 TYR A 153 -0.630 -6.931 13.541 1.00 0.00 C ATOM 467 CE2 TYR A 153 -2.416 -5.482 12.770 1.00 0.00 C ATOM 468 CZ TYR A 153 -1.526 -5.881 13.775 1.00 0.00 C ATOM 469 OH TYR A 153 -1.532 -5.238 14.996 1.00 0.00 O ATOM 0 H TYR A 153 -1.490 -5.502 9.246 1.00 0.00 H new ATOM 0 HA TYR A 153 0.575 -7.458 9.602 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -2.465 -7.753 9.461 1.00 0.00 H new ATOM 0 HB3 TYR A 153 -1.364 -8.958 10.101 1.00 0.00 H new ATOM 0 HD1 TYR A 153 0.068 -8.392 12.121 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -3.096 -5.828 10.756 1.00 0.00 H new ATOM 0 HE1 TYR A 153 0.056 -7.239 14.317 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -3.107 -4.672 12.951 1.00 0.00 H new ATOM 0 HH TYR A 153 -2.213 -4.533 14.991 1.00 0.00 H new ATOM 479 N GLU A 154 -1.194 -7.642 6.833 1.00 0.00 N ATOM 480 CA GLU A 154 -1.217 -8.308 5.501 1.00 0.00 C ATOM 481 C GLU A 154 0.149 -8.153 4.829 1.00 0.00 C ATOM 482 O GLU A 154 0.688 -9.090 4.273 1.00 0.00 O ATOM 483 CB GLU A 154 -2.293 -7.662 4.625 1.00 0.00 C ATOM 484 CG GLU A 154 -3.675 -7.969 5.206 1.00 0.00 C ATOM 485 CD GLU A 154 -3.869 -9.484 5.290 1.00 0.00 C ATOM 486 OE1 GLU A 154 -3.142 -10.193 4.613 1.00 0.00 O ATOM 487 OE2 GLU A 154 -4.740 -9.910 6.030 1.00 0.00 O ATOM 0 H GLU A 154 -1.864 -6.882 6.950 1.00 0.00 H new ATOM 0 HA GLU A 154 -1.441 -9.367 5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -2.138 -6.584 4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -2.223 -8.041 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -3.772 -7.524 6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -4.450 -7.527 4.581 1.00 0.00 H new ATOM 494 N LYS A 155 0.712 -6.977 4.875 1.00 0.00 N ATOM 495 CA LYS A 155 2.042 -6.764 4.238 1.00 0.00 C ATOM 496 C LYS A 155 3.149 -7.035 5.260 1.00 0.00 C ATOM 497 O LYS A 155 4.322 -6.940 4.957 1.00 0.00 O ATOM 498 CB LYS A 155 2.145 -5.320 3.747 1.00 0.00 C ATOM 499 CG LYS A 155 1.098 -5.075 2.658 1.00 0.00 C ATOM 500 CD LYS A 155 1.277 -3.667 2.086 1.00 0.00 C ATOM 501 CE LYS A 155 0.157 -3.376 1.085 1.00 0.00 C ATOM 502 NZ LYS A 155 0.464 -2.119 0.347 1.00 0.00 N ATOM 0 H LYS A 155 0.309 -6.155 5.326 1.00 0.00 H new ATOM 0 HA LYS A 155 2.153 -7.445 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 155 1.990 -4.631 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 155 3.144 -5.128 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.201 -5.817 1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 155 0.095 -5.187 3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 155 1.260 -2.932 2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 155 2.247 -3.582 1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 155 0.056 -4.206 0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -0.795 -3.281 1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -0.297 -1.921 -0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 0.540 -1.330 1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 1.364 -2.227 -0.162 1.00 0.00 H new ATOM 516 N SER A 156 2.789 -7.371 6.469 1.00 0.00 N ATOM 517 CA SER A 156 3.825 -7.647 7.504 1.00 0.00 C ATOM 518 C SER A 156 4.774 -6.453 7.607 1.00 0.00 C ATOM 519 O SER A 156 5.977 -6.594 7.515 1.00 0.00 O ATOM 520 CB SER A 156 4.617 -8.897 7.115 1.00 0.00 C ATOM 521 OG SER A 156 3.792 -10.044 7.256 1.00 0.00 O ATOM 0 H SER A 156 1.824 -7.466 6.784 1.00 0.00 H new ATOM 0 HA SER A 156 3.341 -7.810 8.467 1.00 0.00 H new ATOM 0 HB2 SER A 156 4.968 -8.813 6.086 1.00 0.00 H new ATOM 0 HB3 SER A 156 5.500 -8.992 7.746 1.00 0.00 H new ATOM 0 HG SER A 156 4.299 -10.844 7.005 1.00 0.00 H new ATOM 527 N ARG A 157 4.245 -5.275 7.798 1.00 0.00 N ATOM 528 CA ARG A 157 5.120 -4.074 7.905 1.00 0.00 C ATOM 529 C ARG A 157 4.523 -3.097 8.920 1.00 0.00 C ATOM 530 O ARG A 157 3.321 -2.965 9.036 1.00 0.00 O ATOM 531 CB ARG A 157 5.220 -3.393 6.539 1.00 0.00 C ATOM 532 CG ARG A 157 5.938 -4.323 5.558 1.00 0.00 C ATOM 533 CD ARG A 157 7.415 -4.426 5.940 1.00 0.00 C ATOM 534 NE ARG A 157 8.133 -5.251 4.929 1.00 0.00 N ATOM 535 CZ ARG A 157 8.914 -4.679 4.054 1.00 0.00 C ATOM 536 NH1 ARG A 157 8.606 -3.505 3.575 1.00 0.00 N ATOM 537 NH2 ARG A 157 10.002 -5.282 3.658 1.00 0.00 N ATOM 0 H ARG A 157 3.245 -5.093 7.884 1.00 0.00 H new ATOM 0 HA ARG A 157 6.114 -4.377 8.234 1.00 0.00 H new ATOM 0 HB2 ARG A 157 4.224 -3.153 6.167 1.00 0.00 H new ATOM 0 HB3 ARG A 157 5.763 -2.452 6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 157 5.478 -5.311 5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 157 5.840 -3.942 4.541 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.858 -3.431 5.994 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.516 -4.874 6.929 1.00 0.00 H new ATOM 0 HE ARG A 157 8.014 -6.264 4.921 1.00 0.00 H new ATOM 0 HH11 ARG A 157 7.755 -3.035 3.885 1.00 0.00 H new ATOM 0 HH12 ARG A 157 9.216 -3.057 2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.241 -6.200 4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 157 10.613 -4.835 2.974 1.00 0.00 H new ATOM 551 N LEU A 158 5.354 -2.412 9.658 1.00 0.00 N ATOM 552 CA LEU A 158 4.832 -1.446 10.665 1.00 0.00 C ATOM 553 C LEU A 158 5.174 -0.020 10.231 1.00 0.00 C ATOM 554 O LEU A 158 6.316 0.304 9.975 1.00 0.00 O ATOM 555 CB LEU A 158 5.472 -1.730 12.026 1.00 0.00 C ATOM 556 CG LEU A 158 5.279 -3.204 12.384 1.00 0.00 C ATOM 557 CD1 LEU A 158 5.888 -3.477 13.762 1.00 0.00 C ATOM 558 CD2 LEU A 158 3.785 -3.533 12.412 1.00 0.00 C ATOM 0 H LEU A 158 6.370 -2.480 9.607 1.00 0.00 H new ATOM 0 HA LEU A 158 3.750 -1.553 10.742 1.00 0.00 H new ATOM 0 HB2 LEU A 158 6.534 -1.488 11.998 1.00 0.00 H new ATOM 0 HB3 LEU A 158 5.021 -1.097 12.791 1.00 0.00 H new ATOM 0 HG LEU A 158 5.773 -3.826 11.638 1.00 0.00 H new ATOM 0 HD11 LEU A 158 5.751 -4.527 14.019 1.00 0.00 H new ATOM 0 HD12 LEU A 158 6.953 -3.244 13.742 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.394 -2.854 14.508 1.00 0.00 H new ATOM 0 HD21 LEU A 158 3.649 -4.584 12.667 1.00 0.00 H new ATOM 0 HD22 LEU A 158 3.289 -2.911 13.158 1.00 0.00 H new ATOM 0 HD23 LEU A 158 3.351 -3.339 11.431 1.00 0.00 H new ATOM 570 N LYS A 159 4.194 0.838 10.150 1.00 0.00 N ATOM 571 CA LYS A 159 4.468 2.243 9.737 1.00 0.00 C ATOM 572 C LYS A 159 4.915 3.053 10.955 1.00 0.00 C ATOM 573 O LYS A 159 4.119 3.406 11.803 1.00 0.00 O ATOM 574 CB LYS A 159 3.197 2.863 9.151 1.00 0.00 C ATOM 575 CG LYS A 159 3.527 4.241 8.572 1.00 0.00 C ATOM 576 CD LYS A 159 2.240 4.911 8.085 1.00 0.00 C ATOM 577 CE LYS A 159 2.586 6.228 7.387 1.00 0.00 C ATOM 578 NZ LYS A 159 1.540 6.543 6.373 1.00 0.00 N ATOM 0 H LYS A 159 3.217 0.627 10.352 1.00 0.00 H new ATOM 0 HA LYS A 159 5.256 2.252 8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 159 2.789 2.217 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 159 2.433 2.954 9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 159 4.008 4.860 9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 159 4.232 4.141 7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 159 1.711 4.251 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 159 1.573 5.097 8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 159 2.652 7.033 8.119 1.00 0.00 H new ATOM 0 HE3 LYS A 159 3.562 6.152 6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 1.775 7.438 5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 1.498 5.779 5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 0.617 6.632 6.843 1.00 0.00 H new ATOM 592 N VAL A 160 6.182 3.349 11.051 1.00 0.00 N ATOM 593 CA VAL A 160 6.677 4.135 12.215 1.00 0.00 C ATOM 594 C VAL A 160 7.410 5.382 11.713 1.00 0.00 C ATOM 595 O VAL A 160 8.120 5.342 10.728 1.00 0.00 O ATOM 596 CB VAL A 160 7.639 3.274 13.037 1.00 0.00 C ATOM 597 CG1 VAL A 160 8.043 4.027 14.306 1.00 0.00 C ATOM 598 CG2 VAL A 160 6.946 1.964 13.420 1.00 0.00 C ATOM 0 H VAL A 160 6.896 3.080 10.373 1.00 0.00 H new ATOM 0 HA VAL A 160 5.834 4.435 12.838 1.00 0.00 H new ATOM 0 HB VAL A 160 8.529 3.057 12.446 1.00 0.00 H new ATOM 0 HG11 VAL A 160 8.728 3.413 14.891 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.535 4.961 14.034 1.00 0.00 H new ATOM 0 HG13 VAL A 160 7.154 4.244 14.899 1.00 0.00 H new ATOM 0 HG21 VAL A 160 7.629 1.349 14.006 1.00 0.00 H new ATOM 0 HG22 VAL A 160 6.057 2.182 14.011 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.658 1.427 12.516 1.00 0.00 H new ATOM 608 N SER A 161 7.242 6.490 12.383 1.00 0.00 N ATOM 609 CA SER A 161 7.927 7.738 11.942 1.00 0.00 C ATOM 610 C SER A 161 8.982 8.137 12.975 1.00 0.00 C ATOM 611 O SER A 161 8.735 8.126 14.165 1.00 0.00 O ATOM 612 CB SER A 161 6.899 8.862 11.806 1.00 0.00 C ATOM 613 OG SER A 161 7.522 10.010 11.248 1.00 0.00 O ATOM 0 H SER A 161 6.661 6.585 13.216 1.00 0.00 H new ATOM 0 HA SER A 161 8.409 7.565 10.980 1.00 0.00 H new ATOM 0 HB2 SER A 161 6.073 8.539 11.172 1.00 0.00 H new ATOM 0 HB3 SER A 161 6.477 9.103 12.782 1.00 0.00 H new ATOM 0 HG SER A 161 6.863 10.730 11.159 1.00 0.00 H new ATOM 619 N VAL A 162 10.158 8.489 12.531 1.00 0.00 N ATOM 620 CA VAL A 162 11.227 8.888 13.490 1.00 0.00 C ATOM 621 C VAL A 162 11.134 10.391 13.761 1.00 0.00 C ATOM 622 O VAL A 162 11.062 11.192 12.850 1.00 0.00 O ATOM 623 CB VAL A 162 12.595 8.564 12.891 1.00 0.00 C ATOM 624 CG1 VAL A 162 13.655 8.585 13.994 1.00 0.00 C ATOM 625 CG2 VAL A 162 12.554 7.176 12.249 1.00 0.00 C ATOM 0 H VAL A 162 10.424 8.517 11.547 1.00 0.00 H new ATOM 0 HA VAL A 162 11.099 8.341 14.424 1.00 0.00 H new ATOM 0 HB VAL A 162 12.845 9.308 12.134 1.00 0.00 H new ATOM 0 HG11 VAL A 162 14.630 8.354 13.566 1.00 0.00 H new ATOM 0 HG12 VAL A 162 13.685 9.574 14.451 1.00 0.00 H new ATOM 0 HG13 VAL A 162 13.406 7.842 14.752 1.00 0.00 H new ATOM 0 HG21 VAL A 162 13.529 6.944 11.821 1.00 0.00 H new ATOM 0 HG22 VAL A 162 12.303 6.432 13.006 1.00 0.00 H new ATOM 0 HG23 VAL A 162 11.800 7.161 11.462 1.00 0.00 H new ATOM 635 N SER A 163 11.136 10.781 15.006 1.00 0.00 N ATOM 636 CA SER A 163 11.049 12.232 15.331 1.00 0.00 C ATOM 637 C SER A 163 12.434 12.867 15.194 1.00 0.00 C ATOM 638 O SER A 163 13.145 13.043 16.164 1.00 0.00 O ATOM 639 CB SER A 163 10.547 12.405 16.765 1.00 0.00 C ATOM 640 OG SER A 163 9.192 11.989 16.846 1.00 0.00 O ATOM 0 H SER A 163 11.194 10.158 15.811 1.00 0.00 H new ATOM 0 HA SER A 163 10.356 12.718 14.644 1.00 0.00 H new ATOM 0 HB2 SER A 163 11.160 11.819 17.449 1.00 0.00 H new ATOM 0 HB3 SER A 163 10.637 13.448 17.070 1.00 0.00 H new ATOM 0 HG SER A 163 8.871 12.098 17.765 1.00 0.00 H new ATOM 692 N ARG A 167 13.170 16.884 10.601 1.00 0.00 N ATOM 693 CA ARG A 167 11.745 16.719 10.186 1.00 0.00 C ATOM 694 C ARG A 167 11.321 15.266 10.424 1.00 0.00 C ATOM 695 O ARG A 167 12.109 14.351 10.295 1.00 0.00 O ATOM 696 CB ARG A 167 11.591 17.061 8.696 1.00 0.00 C ATOM 697 CG ARG A 167 10.262 16.510 8.170 1.00 0.00 C ATOM 698 CD ARG A 167 10.097 16.896 6.699 1.00 0.00 C ATOM 699 NE ARG A 167 10.906 15.978 5.850 1.00 0.00 N ATOM 700 CZ ARG A 167 11.446 16.415 4.746 1.00 0.00 C ATOM 701 NH1 ARG A 167 10.961 17.474 4.158 1.00 0.00 N ATOM 702 NH2 ARG A 167 12.470 15.794 4.229 1.00 0.00 N ATOM 0 HA ARG A 167 11.116 17.390 10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 167 11.628 18.141 8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 167 12.420 16.638 8.129 1.00 0.00 H new ATOM 0 HG2 ARG A 167 10.238 15.426 8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 167 9.434 16.907 8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 167 9.046 16.841 6.413 1.00 0.00 H new ATOM 0 HD3 ARG A 167 10.416 17.927 6.545 1.00 0.00 H new ATOM 0 HE ARG A 167 11.038 15.007 6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 167 10.160 17.960 4.562 1.00 0.00 H new ATOM 0 HH12 ARG A 167 11.383 17.816 3.295 1.00 0.00 H new ATOM 0 HH21 ARG A 167 12.849 14.966 4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 167 12.891 16.137 3.366 1.00 0.00 H new ATOM 716 N ALA A 168 10.081 15.048 10.766 1.00 0.00 N ATOM 717 CA ALA A 168 9.611 13.655 11.007 1.00 0.00 C ATOM 718 C ALA A 168 9.724 12.852 9.710 1.00 0.00 C ATOM 719 O ALA A 168 9.384 13.326 8.644 1.00 0.00 O ATOM 720 CB ALA A 168 8.151 13.679 11.466 1.00 0.00 C ATOM 0 H ALA A 168 9.374 15.773 10.889 1.00 0.00 H new ATOM 0 HA ALA A 168 10.225 13.192 11.779 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.808 12.659 11.642 1.00 0.00 H new ATOM 0 HB2 ALA A 168 8.069 14.254 12.389 1.00 0.00 H new ATOM 0 HB3 ALA A 168 7.535 14.141 10.695 1.00 0.00 H new ATOM 726 N THR A 169 10.203 11.641 9.789 1.00 0.00 N ATOM 727 CA THR A 169 10.339 10.813 8.558 1.00 0.00 C ATOM 728 C THR A 169 9.568 9.503 8.731 1.00 0.00 C ATOM 729 O THR A 169 10.092 8.525 9.227 1.00 0.00 O ATOM 730 CB THR A 169 11.818 10.504 8.311 1.00 0.00 C ATOM 731 OG1 THR A 169 12.546 11.722 8.229 1.00 0.00 O ATOM 732 CG2 THR A 169 11.968 9.728 7.003 1.00 0.00 C ATOM 0 H THR A 169 10.506 11.190 10.652 1.00 0.00 H new ATOM 0 HA THR A 169 9.934 11.362 7.708 1.00 0.00 H new ATOM 0 HB THR A 169 12.206 9.902 9.133 1.00 0.00 H new ATOM 0 HG1 THR A 169 13.494 11.527 8.073 1.00 0.00 H new ATOM 0 HG21 THR A 169 13.021 9.509 6.829 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.409 8.794 7.068 1.00 0.00 H new ATOM 0 HG23 THR A 169 11.581 10.326 6.178 1.00 0.00 H new ATOM 740 N PRO A 170 8.295 9.487 8.308 1.00 0.00 N ATOM 741 CA PRO A 170 7.444 8.295 8.412 1.00 0.00 C ATOM 742 C PRO A 170 7.975 7.149 7.549 1.00 0.00 C ATOM 743 O PRO A 170 7.928 7.199 6.335 1.00 0.00 O ATOM 744 CB PRO A 170 6.093 8.770 7.878 1.00 0.00 C ATOM 745 CG PRO A 170 6.427 9.912 6.977 1.00 0.00 C ATOM 746 CD PRO A 170 7.633 10.579 7.573 1.00 0.00 C ATOM 0 HA PRO A 170 7.400 7.909 9.430 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.578 7.976 7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 170 5.434 9.083 8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 170 6.636 9.562 5.966 1.00 0.00 H new ATOM 0 HG3 PRO A 170 5.592 10.609 6.907 1.00 0.00 H new ATOM 0 HD2 PRO A 170 8.282 10.998 6.804 1.00 0.00 H new ATOM 0 HD3 PRO A 170 7.354 11.398 8.235 1.00 0.00 H new ATOM 754 N VAL A 171 8.484 6.116 8.164 1.00 0.00 N ATOM 755 CA VAL A 171 9.021 4.971 7.376 1.00 0.00 C ATOM 756 C VAL A 171 8.403 3.665 7.878 1.00 0.00 C ATOM 757 O VAL A 171 7.932 3.579 8.995 1.00 0.00 O ATOM 758 CB VAL A 171 10.542 4.912 7.539 1.00 0.00 C ATOM 759 CG1 VAL A 171 11.148 6.261 7.144 1.00 0.00 C ATOM 760 CG2 VAL A 171 10.888 4.608 8.998 1.00 0.00 C ATOM 0 H VAL A 171 8.551 6.016 9.177 1.00 0.00 H new ATOM 0 HA VAL A 171 8.771 5.106 6.324 1.00 0.00 H new ATOM 0 HB VAL A 171 10.946 4.128 6.899 1.00 0.00 H new ATOM 0 HG11 VAL A 171 12.231 6.221 7.259 1.00 0.00 H new ATOM 0 HG12 VAL A 171 10.902 6.480 6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 171 10.743 7.044 7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 171 11.971 4.566 9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 171 10.485 5.392 9.639 1.00 0.00 H new ATOM 0 HG23 VAL A 171 10.455 3.649 9.282 1.00 0.00 H new ATOM 770 N GLU A 172 8.404 2.648 7.061 1.00 0.00 N ATOM 771 CA GLU A 172 7.820 1.346 7.491 1.00 0.00 C ATOM 772 C GLU A 172 8.946 0.401 7.916 1.00 0.00 C ATOM 773 O GLU A 172 9.870 0.147 7.170 1.00 0.00 O ATOM 774 CB GLU A 172 7.044 0.725 6.328 1.00 0.00 C ATOM 775 CG GLU A 172 5.936 1.681 5.886 1.00 0.00 C ATOM 776 CD GLU A 172 5.149 1.054 4.735 1.00 0.00 C ATOM 777 OE1 GLU A 172 5.600 0.045 4.216 1.00 0.00 O ATOM 778 OE2 GLU A 172 4.109 1.590 4.391 1.00 0.00 O ATOM 0 H GLU A 172 8.784 2.662 6.114 1.00 0.00 H new ATOM 0 HA GLU A 172 7.144 1.509 8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 172 7.717 0.522 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 172 6.615 -0.230 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.270 1.894 6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 172 6.366 2.632 5.571 1.00 0.00 H new ATOM 785 N LEU A 173 8.878 -0.121 9.110 1.00 0.00 N ATOM 786 CA LEU A 173 9.949 -1.046 9.579 1.00 0.00 C ATOM 787 C LEU A 173 9.336 -2.405 9.921 1.00 0.00 C ATOM 788 O LEU A 173 8.221 -2.493 10.397 1.00 0.00 O ATOM 789 CB LEU A 173 10.621 -0.462 10.823 1.00 0.00 C ATOM 790 CG LEU A 173 11.154 0.939 10.514 1.00 0.00 C ATOM 791 CD1 LEU A 173 11.911 0.918 9.183 1.00 0.00 C ATOM 792 CD2 LEU A 173 9.986 1.922 10.420 1.00 0.00 C ATOM 0 H LEU A 173 8.129 0.052 9.780 1.00 0.00 H new ATOM 0 HA LEU A 173 10.691 -1.170 8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 173 9.907 -0.416 11.646 1.00 0.00 H new ATOM 0 HB3 LEU A 173 11.437 -1.109 11.144 1.00 0.00 H new ATOM 0 HG LEU A 173 11.829 1.252 11.311 1.00 0.00 H new ATOM 0 HD11 LEU A 173 12.290 1.916 8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 173 12.745 0.220 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 173 11.237 0.603 8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 173 10.367 2.919 10.200 1.00 0.00 H new ATOM 0 HD22 LEU A 173 9.309 1.608 9.625 1.00 0.00 H new ATOM 0 HD23 LEU A 173 9.448 1.940 11.368 1.00 0.00 H new ATOM 804 N ASP A 174 10.056 -3.467 9.684 1.00 0.00 N ATOM 805 CA ASP A 174 9.516 -4.819 9.999 1.00 0.00 C ATOM 806 C ASP A 174 9.414 -4.986 11.516 1.00 0.00 C ATOM 807 O ASP A 174 9.895 -4.167 12.273 1.00 0.00 O ATOM 808 CB ASP A 174 10.454 -5.888 9.431 1.00 0.00 C ATOM 809 CG ASP A 174 10.445 -5.815 7.903 1.00 0.00 C ATOM 810 OD1 ASP A 174 9.565 -5.162 7.365 1.00 0.00 O ATOM 811 OD2 ASP A 174 11.318 -6.414 7.296 1.00 0.00 O ATOM 0 H ASP A 174 10.995 -3.457 9.286 1.00 0.00 H new ATOM 0 HA ASP A 174 8.527 -4.928 9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 174 11.466 -5.736 9.807 1.00 0.00 H new ATOM 0 HB3 ASP A 174 10.137 -6.877 9.760 1.00 0.00 H new ATOM 816 N PHE A 175 8.790 -6.039 11.967 1.00 0.00 N ATOM 817 CA PHE A 175 8.658 -6.254 13.435 1.00 0.00 C ATOM 818 C PHE A 175 10.042 -6.492 14.041 1.00 0.00 C ATOM 819 O PHE A 175 10.380 -5.948 15.074 1.00 0.00 O ATOM 820 CB PHE A 175 7.769 -7.472 13.696 1.00 0.00 C ATOM 821 CG PHE A 175 6.550 -7.417 12.801 1.00 0.00 C ATOM 822 CD1 PHE A 175 6.124 -6.194 12.266 1.00 0.00 C ATOM 823 CD2 PHE A 175 5.847 -8.592 12.506 1.00 0.00 C ATOM 824 CE1 PHE A 175 4.995 -6.147 11.440 1.00 0.00 C ATOM 825 CE2 PHE A 175 4.719 -8.545 11.680 1.00 0.00 C ATOM 826 CZ PHE A 175 4.293 -7.323 11.146 1.00 0.00 C ATOM 0 H PHE A 175 8.366 -6.759 11.383 1.00 0.00 H new ATOM 0 HA PHE A 175 8.208 -5.373 13.892 1.00 0.00 H new ATOM 0 HB2 PHE A 175 8.328 -8.389 13.509 1.00 0.00 H new ATOM 0 HB3 PHE A 175 7.463 -7.493 14.742 1.00 0.00 H new ATOM 0 HD1 PHE A 175 6.667 -5.288 12.491 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.176 -9.535 12.917 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.665 -5.204 11.029 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.177 -9.451 11.454 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.423 -7.287 10.507 1.00 0.00 H new ATOM 836 N SER A 176 10.849 -7.297 13.407 1.00 0.00 N ATOM 837 CA SER A 176 12.211 -7.566 13.946 1.00 0.00 C ATOM 838 C SER A 176 13.115 -6.364 13.667 1.00 0.00 C ATOM 839 O SER A 176 14.094 -6.139 14.350 1.00 0.00 O ATOM 840 CB SER A 176 12.791 -8.810 13.271 1.00 0.00 C ATOM 841 OG SER A 176 11.835 -9.859 13.310 1.00 0.00 O ATOM 0 H SER A 176 10.623 -7.781 12.538 1.00 0.00 H new ATOM 0 HA SER A 176 12.150 -7.733 15.021 1.00 0.00 H new ATOM 0 HB2 SER A 176 13.058 -8.585 12.238 1.00 0.00 H new ATOM 0 HB3 SER A 176 13.706 -9.118 13.777 1.00 0.00 H new ATOM 0 HG SER A 176 12.206 -10.656 12.876 1.00 0.00 H new ATOM 847 N GLN A 177 12.794 -5.589 12.667 1.00 0.00 N ATOM 848 CA GLN A 177 13.635 -4.402 12.345 1.00 0.00 C ATOM 849 C GLN A 177 13.473 -3.352 13.447 1.00 0.00 C ATOM 850 O GLN A 177 14.287 -2.463 13.596 1.00 0.00 O ATOM 851 CB GLN A 177 13.192 -3.809 11.005 1.00 0.00 C ATOM 852 CG GLN A 177 13.730 -4.672 9.863 1.00 0.00 C ATOM 853 CD GLN A 177 13.288 -4.079 8.523 1.00 0.00 C ATOM 854 OE1 GLN A 177 12.426 -3.225 8.478 1.00 0.00 O ATOM 855 NE2 GLN A 177 13.846 -4.500 7.421 1.00 0.00 N ATOM 0 H GLN A 177 11.986 -5.727 12.060 1.00 0.00 H new ATOM 0 HA GLN A 177 14.680 -4.703 12.279 1.00 0.00 H new ATOM 0 HB2 GLN A 177 12.104 -3.762 10.958 1.00 0.00 H new ATOM 0 HB3 GLN A 177 13.560 -2.788 10.908 1.00 0.00 H new ATOM 0 HG2 GLN A 177 14.818 -4.720 9.910 1.00 0.00 H new ATOM 0 HG3 GLN A 177 13.362 -5.693 9.960 1.00 0.00 H new ATOM 0 HE21 GLN A 177 14.570 -5.217 7.458 1.00 0.00 H new ATOM 0 HE22 GLN A 177 13.558 -4.112 6.523 1.00 0.00 H new ATOM 864 N VAL A 178 12.426 -3.451 14.221 1.00 0.00 N ATOM 865 CA VAL A 178 12.212 -2.460 15.314 1.00 0.00 C ATOM 866 C VAL A 178 11.873 -3.198 16.611 1.00 0.00 C ATOM 867 O VAL A 178 11.508 -4.357 16.598 1.00 0.00 O ATOM 868 CB VAL A 178 11.058 -1.528 14.942 1.00 0.00 C ATOM 869 CG1 VAL A 178 11.264 -1.003 13.519 1.00 0.00 C ATOM 870 CG2 VAL A 178 9.737 -2.297 15.014 1.00 0.00 C ATOM 0 H VAL A 178 11.711 -4.174 14.144 1.00 0.00 H new ATOM 0 HA VAL A 178 13.120 -1.874 15.455 1.00 0.00 H new ATOM 0 HB VAL A 178 11.030 -0.690 15.639 1.00 0.00 H new ATOM 0 HG11 VAL A 178 10.442 -0.339 13.254 1.00 0.00 H new ATOM 0 HG12 VAL A 178 12.205 -0.455 13.466 1.00 0.00 H new ATOM 0 HG13 VAL A 178 11.293 -1.841 12.823 1.00 0.00 H new ATOM 0 HG21 VAL A 178 8.914 -1.633 14.749 1.00 0.00 H new ATOM 0 HG22 VAL A 178 9.765 -3.135 14.318 1.00 0.00 H new ATOM 0 HG23 VAL A 178 9.589 -2.672 16.027 1.00 0.00 H new ATOM 880 N GLU A 179 11.989 -2.537 17.729 1.00 0.00 N ATOM 881 CA GLU A 179 11.673 -3.203 19.023 1.00 0.00 C ATOM 882 C GLU A 179 10.653 -2.364 19.795 1.00 0.00 C ATOM 883 O GLU A 179 10.466 -1.193 19.526 1.00 0.00 O ATOM 884 CB GLU A 179 12.950 -3.339 19.854 1.00 0.00 C ATOM 885 CG GLU A 179 14.054 -3.955 18.993 1.00 0.00 C ATOM 886 CD GLU A 179 15.272 -4.259 19.868 1.00 0.00 C ATOM 887 OE1 GLU A 179 15.325 -3.749 20.975 1.00 0.00 O ATOM 888 OE2 GLU A 179 16.132 -4.998 19.417 1.00 0.00 O ATOM 0 H GLU A 179 12.289 -1.565 17.802 1.00 0.00 H new ATOM 0 HA GLU A 179 11.258 -4.192 18.828 1.00 0.00 H new ATOM 0 HB2 GLU A 179 13.263 -2.362 20.222 1.00 0.00 H new ATOM 0 HB3 GLU A 179 12.764 -3.964 20.727 1.00 0.00 H new ATOM 0 HG2 GLU A 179 13.694 -4.869 18.521 1.00 0.00 H new ATOM 0 HG3 GLU A 179 14.330 -3.270 18.192 1.00 0.00 H new ATOM 895 N LYS A 180 9.994 -2.950 20.755 1.00 0.00 N ATOM 896 CA LYS A 180 8.989 -2.186 21.546 1.00 0.00 C ATOM 897 C LYS A 180 9.701 -1.120 22.380 1.00 0.00 C ATOM 898 O LYS A 180 10.795 -1.329 22.868 1.00 0.00 O ATOM 899 CB LYS A 180 8.235 -3.142 22.473 1.00 0.00 C ATOM 900 CG LYS A 180 7.312 -4.037 21.644 1.00 0.00 C ATOM 901 CD LYS A 180 6.424 -4.859 22.580 1.00 0.00 C ATOM 902 CE LYS A 180 5.595 -5.848 21.759 1.00 0.00 C ATOM 903 NZ LYS A 180 4.480 -6.376 22.595 1.00 0.00 N ATOM 0 H LYS A 180 10.108 -3.927 21.027 1.00 0.00 H new ATOM 0 HA LYS A 180 8.283 -1.705 20.869 1.00 0.00 H new ATOM 0 HB2 LYS A 180 8.941 -3.752 23.035 1.00 0.00 H new ATOM 0 HB3 LYS A 180 7.653 -2.576 23.200 1.00 0.00 H new ATOM 0 HG2 LYS A 180 6.696 -3.428 20.982 1.00 0.00 H new ATOM 0 HG3 LYS A 180 7.902 -4.699 21.011 1.00 0.00 H new ATOM 0 HD2 LYS A 180 7.038 -5.395 23.303 1.00 0.00 H new ATOM 0 HD3 LYS A 180 5.767 -4.200 23.147 1.00 0.00 H new ATOM 0 HE2 LYS A 180 5.197 -5.356 20.871 1.00 0.00 H new ATOM 0 HE3 LYS A 180 6.225 -6.668 21.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 3.916 -7.049 22.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 4.870 -6.860 23.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 3.874 -5.589 22.903 1.00 0.00 H new ATOM 917 N ALA A 181 9.092 0.021 22.550 1.00 0.00 N ATOM 918 CA ALA A 181 9.736 1.098 23.354 1.00 0.00 C ATOM 919 C ALA A 181 9.813 0.664 24.820 1.00 0.00 C ATOM 920 O ALA A 181 10.853 0.267 25.306 1.00 0.00 O ATOM 921 CB ALA A 181 8.910 2.380 23.246 1.00 0.00 C ATOM 0 H ALA A 181 8.176 0.254 22.167 1.00 0.00 H new ATOM 0 HA ALA A 181 10.742 1.281 22.975 1.00 0.00 H new ATOM 0 HB1 ALA A 181 9.381 3.167 23.834 1.00 0.00 H new ATOM 0 HB2 ALA A 181 8.855 2.690 22.203 1.00 0.00 H new ATOM 0 HB3 ALA A 181 7.904 2.198 23.624 1.00 0.00 H new