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 -122:sc= -0.0638 (180deg=-0.523) USER MOD Single : A 137 ASN : amide:sc= -2.71! C(o=-2.7!,f=-4.6!) USER MOD Single : A 145 ASN : amide:sc= -1.05! C(o=-1!,f=-5.2!) USER MOD Single : A 153 TYR OH : rot 53:sc= 1.23 USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot -62:sc= 1.08 USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 SER OG : rot 126:sc= -0.603 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= -2.68 K(o=-2.7,f=-0.84) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PHE A 128 3.294 -4.709 17.863 1.00 0.00 N ATOM 95 CA PHE A 128 3.186 -3.222 17.863 1.00 0.00 C ATOM 96 C PHE A 128 1.785 -2.812 17.405 1.00 0.00 C ATOM 97 O PHE A 128 1.236 -3.374 16.478 1.00 0.00 O ATOM 98 CB PHE A 128 4.228 -2.636 16.909 1.00 0.00 C ATOM 99 CG PHE A 128 5.587 -3.208 17.236 1.00 0.00 C ATOM 100 CD1 PHE A 128 6.366 -2.626 18.244 1.00 0.00 C ATOM 101 CD2 PHE A 128 6.067 -4.318 16.532 1.00 0.00 C ATOM 102 CE1 PHE A 128 7.626 -3.157 18.547 1.00 0.00 C ATOM 103 CE2 PHE A 128 7.327 -4.848 16.835 1.00 0.00 C ATOM 104 CZ PHE A 128 8.106 -4.267 17.843 1.00 0.00 C ATOM 0 HA PHE A 128 3.363 -2.844 18.870 1.00 0.00 H new ATOM 0 HB2 PHE A 128 3.963 -2.867 15.877 1.00 0.00 H new ATOM 0 HB3 PHE A 128 4.248 -1.550 16.997 1.00 0.00 H new ATOM 0 HD1 PHE A 128 5.996 -1.769 18.787 1.00 0.00 H new ATOM 0 HD2 PHE A 128 5.465 -4.766 15.755 1.00 0.00 H new ATOM 0 HE1 PHE A 128 8.228 -2.710 19.324 1.00 0.00 H new ATOM 0 HE2 PHE A 128 7.698 -5.704 16.292 1.00 0.00 H new ATOM 0 HZ PHE A 128 9.078 -4.676 18.077 1.00 0.00 H new ATOM 114 N GLU A 129 1.203 -1.835 18.047 1.00 0.00 N ATOM 115 CA GLU A 129 -0.161 -1.391 17.647 1.00 0.00 C ATOM 116 C GLU A 129 -0.202 0.138 17.586 1.00 0.00 C ATOM 117 O GLU A 129 0.589 0.815 18.211 1.00 0.00 O ATOM 118 CB GLU A 129 -1.181 -1.888 18.673 1.00 0.00 C ATOM 119 CG GLU A 129 -2.105 -2.915 18.018 1.00 0.00 C ATOM 120 CD GLU A 129 -1.883 -4.286 18.661 1.00 0.00 C ATOM 121 OE1 GLU A 129 -0.767 -4.774 18.595 1.00 0.00 O ATOM 122 OE2 GLU A 129 -2.832 -4.823 19.207 1.00 0.00 O ATOM 0 H GLU A 129 1.613 -1.326 18.830 1.00 0.00 H new ATOM 0 HA GLU A 129 -0.403 -1.801 16.666 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -0.668 -2.336 19.524 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -1.764 -1.051 19.057 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.145 -2.611 18.135 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -1.907 -2.967 16.947 1.00 0.00 H new ATOM 129 N PRO A 130 -1.150 0.687 16.812 1.00 0.00 N ATOM 130 CA PRO A 130 -1.305 2.139 16.660 1.00 0.00 C ATOM 131 C PRO A 130 -1.310 2.856 18.014 1.00 0.00 C ATOM 132 O PRO A 130 -2.024 2.481 18.922 1.00 0.00 O ATOM 133 CB PRO A 130 -2.670 2.285 15.988 1.00 0.00 C ATOM 134 CG PRO A 130 -3.412 1.050 16.372 1.00 0.00 C ATOM 135 CD PRO A 130 -2.385 -0.042 16.474 1.00 0.00 C ATOM 0 HA PRO A 130 -0.486 2.580 16.092 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.187 3.181 16.331 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.572 2.368 14.906 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.930 1.187 17.321 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -4.169 0.804 15.628 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -2.646 -0.770 17.242 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.285 -0.590 15.537 1.00 0.00 H new ATOM 143 N GLY A 131 -0.519 3.884 18.153 1.00 0.00 N ATOM 144 CA GLY A 131 -0.480 4.623 19.447 1.00 0.00 C ATOM 145 C GLY A 131 0.586 4.008 20.355 1.00 0.00 C ATOM 146 O GLY A 131 0.675 4.323 21.525 1.00 0.00 O ATOM 0 H GLY A 131 0.101 4.244 17.428 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -0.259 5.676 19.270 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -1.455 4.579 19.932 1.00 0.00 H new ATOM 150 N GLU A 132 1.397 3.133 19.826 1.00 0.00 N ATOM 151 CA GLU A 132 2.457 2.500 20.660 1.00 0.00 C ATOM 152 C GLU A 132 3.833 2.952 20.167 1.00 0.00 C ATOM 153 O GLU A 132 4.079 3.041 18.981 1.00 0.00 O ATOM 154 CB GLU A 132 2.350 0.978 20.552 1.00 0.00 C ATOM 155 CG GLU A 132 1.003 0.520 21.116 1.00 0.00 C ATOM 156 CD GLU A 132 0.939 -1.009 21.105 1.00 0.00 C ATOM 157 OE1 GLU A 132 1.837 -1.616 20.544 1.00 0.00 O ATOM 158 OE2 GLU A 132 -0.008 -1.546 21.656 1.00 0.00 O ATOM 0 H GLU A 132 1.371 2.829 18.853 1.00 0.00 H new ATOM 0 HA GLU A 132 2.328 2.800 21.700 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.444 0.669 19.511 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.165 0.506 21.100 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.877 0.893 22.132 1.00 0.00 H new ATOM 0 HG3 GLU A 132 0.188 0.933 20.521 1.00 0.00 H new ATOM 165 N MET A 133 4.732 3.237 21.069 1.00 0.00 N ATOM 166 CA MET A 133 6.091 3.682 20.651 1.00 0.00 C ATOM 167 C MET A 133 6.927 2.465 20.251 1.00 0.00 C ATOM 168 O MET A 133 6.750 1.381 20.770 1.00 0.00 O ATOM 169 CB MET A 133 6.771 4.408 21.814 1.00 0.00 C ATOM 170 CG MET A 133 6.036 5.719 22.095 1.00 0.00 C ATOM 171 SD MET A 133 6.966 6.681 23.315 1.00 0.00 S ATOM 172 CE MET A 133 8.245 7.294 22.191 1.00 0.00 C ATOM 0 H MET A 133 4.584 3.181 22.077 1.00 0.00 H new ATOM 0 HA MET A 133 6.005 4.359 19.801 1.00 0.00 H new ATOM 0 HB2 MET A 133 6.766 3.778 22.703 1.00 0.00 H new ATOM 0 HB3 MET A 133 7.815 4.608 21.571 1.00 0.00 H new ATOM 0 HG2 MET A 133 5.924 6.291 21.174 1.00 0.00 H new ATOM 0 HG3 MET A 133 5.032 5.513 22.466 1.00 0.00 H new ATOM 0 HE1 MET A 133 9.226 6.987 22.554 1.00 0.00 H new ATOM 0 HE2 MET A 133 8.082 6.882 21.195 1.00 0.00 H new ATOM 0 HE3 MET A 133 8.199 8.382 22.146 1.00 0.00 H new ATOM 182 N VAL A 134 7.836 2.636 19.332 1.00 0.00 N ATOM 183 CA VAL A 134 8.684 1.490 18.900 1.00 0.00 C ATOM 184 C VAL A 134 10.152 1.921 18.887 1.00 0.00 C ATOM 185 O VAL A 134 10.479 3.053 19.181 1.00 0.00 O ATOM 186 CB VAL A 134 8.267 1.050 17.495 1.00 0.00 C ATOM 187 CG1 VAL A 134 8.739 -0.383 17.246 1.00 0.00 C ATOM 188 CG2 VAL A 134 6.744 1.115 17.370 1.00 0.00 C ATOM 0 H VAL A 134 8.028 3.520 18.861 1.00 0.00 H new ATOM 0 HA VAL A 134 8.556 0.659 19.593 1.00 0.00 H new ATOM 0 HB VAL A 134 8.720 1.714 16.759 1.00 0.00 H new ATOM 0 HG11 VAL A 134 8.441 -0.695 16.245 1.00 0.00 H new ATOM 0 HG12 VAL A 134 9.825 -0.429 17.333 1.00 0.00 H new ATOM 0 HG13 VAL A 134 8.288 -1.048 17.983 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.447 0.802 16.369 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.290 0.453 18.107 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.408 2.137 17.545 1.00 0.00 H new ATOM 198 N ARG A 135 11.039 1.026 18.547 1.00 0.00 N ATOM 199 CA ARG A 135 12.484 1.385 18.515 1.00 0.00 C ATOM 200 C ARG A 135 13.091 0.928 17.187 1.00 0.00 C ATOM 201 O ARG A 135 12.798 -0.145 16.698 1.00 0.00 O ATOM 202 CB ARG A 135 13.207 0.691 19.672 1.00 0.00 C ATOM 203 CG ARG A 135 14.626 1.250 19.795 1.00 0.00 C ATOM 204 CD ARG A 135 14.575 2.631 20.452 1.00 0.00 C ATOM 205 NE ARG A 135 15.950 3.202 20.518 1.00 0.00 N ATOM 206 CZ ARG A 135 16.132 4.417 20.958 1.00 0.00 C ATOM 207 NH1 ARG A 135 15.282 4.940 21.798 1.00 0.00 N ATOM 208 NH2 ARG A 135 17.163 5.109 20.556 1.00 0.00 N ATOM 0 H ARG A 135 10.825 0.062 18.290 1.00 0.00 H new ATOM 0 HA ARG A 135 12.594 2.465 18.614 1.00 0.00 H new ATOM 0 HB2 ARG A 135 12.661 0.848 20.602 1.00 0.00 H new ATOM 0 HB3 ARG A 135 13.242 -0.385 19.500 1.00 0.00 H new ATOM 0 HG2 ARG A 135 15.244 0.576 20.388 1.00 0.00 H new ATOM 0 HG3 ARG A 135 15.087 1.321 18.810 1.00 0.00 H new ATOM 0 HD2 ARG A 135 13.922 3.292 19.882 1.00 0.00 H new ATOM 0 HD3 ARG A 135 14.154 2.553 21.454 1.00 0.00 H new ATOM 0 HE ARG A 135 16.749 2.643 20.219 1.00 0.00 H new ATOM 0 HH11 ARG A 135 14.476 4.399 22.111 1.00 0.00 H new ATOM 0 HH12 ARG A 135 15.424 5.890 22.142 1.00 0.00 H new ATOM 0 HH21 ARG A 135 17.826 4.700 19.898 1.00 0.00 H new ATOM 0 HH22 ARG A 135 17.305 6.059 20.900 1.00 0.00 H new ATOM 222 N VAL A 136 13.932 1.733 16.598 1.00 0.00 N ATOM 223 CA VAL A 136 14.553 1.340 15.301 1.00 0.00 C ATOM 224 C VAL A 136 16.001 0.904 15.538 1.00 0.00 C ATOM 225 O VAL A 136 16.767 1.590 16.185 1.00 0.00 O ATOM 226 CB VAL A 136 14.529 2.532 14.342 1.00 0.00 C ATOM 227 CG1 VAL A 136 15.021 2.087 12.963 1.00 0.00 C ATOM 228 CG2 VAL A 136 13.100 3.065 14.227 1.00 0.00 C ATOM 0 H VAL A 136 14.216 2.644 16.958 1.00 0.00 H new ATOM 0 HA VAL A 136 13.992 0.513 14.866 1.00 0.00 H new ATOM 0 HB VAL A 136 15.180 3.319 14.723 1.00 0.00 H new ATOM 0 HG11 VAL A 136 15.004 2.936 12.279 1.00 0.00 H new ATOM 0 HG12 VAL A 136 16.039 1.707 13.045 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.370 1.300 12.581 1.00 0.00 H new ATOM 0 HG21 VAL A 136 13.082 3.914 13.544 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.448 2.279 13.846 1.00 0.00 H new ATOM 0 HG23 VAL A 136 12.750 3.382 15.209 1.00 0.00 H new ATOM 238 N ASN A 137 16.381 -0.230 15.017 1.00 0.00 N ATOM 239 CA ASN A 137 17.779 -0.707 15.212 1.00 0.00 C ATOM 240 C ASN A 137 18.357 -1.150 13.867 1.00 0.00 C ATOM 241 O ASN A 137 19.337 -1.866 13.806 1.00 0.00 O ATOM 242 CB ASN A 137 17.785 -1.890 16.184 1.00 0.00 C ATOM 243 CG ASN A 137 17.043 -3.071 15.555 1.00 0.00 C ATOM 244 OD1 ASN A 137 17.293 -3.427 14.421 1.00 0.00 O ATOM 245 ND2 ASN A 137 16.135 -3.701 16.250 1.00 0.00 N ATOM 0 H ASN A 137 15.784 -0.846 14.465 1.00 0.00 H new ATOM 0 HA ASN A 137 18.385 0.101 15.621 1.00 0.00 H new ATOM 0 HB2 ASN A 137 18.810 -2.175 16.420 1.00 0.00 H new ATOM 0 HB3 ASN A 137 17.309 -1.606 17.122 1.00 0.00 H new ATOM 0 HD21 ASN A 137 15.637 -4.491 15.841 1.00 0.00 H new ATOM 0 HD22 ASN A 137 15.924 -3.403 17.202 1.00 0.00 H new ATOM 252 N ASP A 138 17.758 -0.730 12.786 1.00 0.00 N ATOM 253 CA ASP A 138 18.273 -1.127 11.446 1.00 0.00 C ATOM 254 C ASP A 138 18.174 0.062 10.488 1.00 0.00 C ATOM 255 O ASP A 138 17.290 0.888 10.600 1.00 0.00 O ATOM 256 CB ASP A 138 17.440 -2.291 10.903 1.00 0.00 C ATOM 257 CG ASP A 138 18.044 -2.779 9.585 1.00 0.00 C ATOM 258 OD1 ASP A 138 19.110 -2.300 9.231 1.00 0.00 O ATOM 259 OD2 ASP A 138 17.433 -3.624 8.953 1.00 0.00 O ATOM 0 H ASP A 138 16.934 -0.129 12.774 1.00 0.00 H new ATOM 0 HA ASP A 138 19.315 -1.436 11.535 1.00 0.00 H new ATOM 0 HB2 ASP A 138 17.417 -3.105 11.628 1.00 0.00 H new ATOM 0 HB3 ASP A 138 16.409 -1.973 10.747 1.00 0.00 H new ATOM 264 N GLY A 139 19.073 0.154 9.547 1.00 0.00 N ATOM 265 CA GLY A 139 19.029 1.290 8.583 1.00 0.00 C ATOM 266 C GLY A 139 19.474 2.574 9.286 1.00 0.00 C ATOM 267 O GLY A 139 19.672 2.599 10.484 1.00 0.00 O ATOM 0 H GLY A 139 19.836 -0.508 9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.679 1.084 7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 139 18.019 1.409 8.191 1.00 0.00 H new ATOM 271 N PRO A 140 19.632 3.662 8.519 1.00 0.00 N ATOM 272 CA PRO A 140 20.054 4.960 9.062 1.00 0.00 C ATOM 273 C PRO A 140 19.169 5.402 10.230 1.00 0.00 C ATOM 274 O PRO A 140 19.547 6.238 11.027 1.00 0.00 O ATOM 275 CB PRO A 140 19.880 5.915 7.882 1.00 0.00 C ATOM 276 CG PRO A 140 18.843 5.273 7.027 1.00 0.00 C ATOM 277 CD PRO A 140 19.033 3.790 7.178 1.00 0.00 C ATOM 0 HA PRO A 140 21.070 4.929 9.455 1.00 0.00 H new ATOM 0 HB2 PRO A 140 19.562 6.903 8.215 1.00 0.00 H new ATOM 0 HB3 PRO A 140 20.815 6.047 7.338 1.00 0.00 H new ATOM 0 HG2 PRO A 140 17.842 5.571 7.339 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.955 5.576 5.986 1.00 0.00 H new ATOM 0 HD2 PRO A 140 18.087 3.254 7.107 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.687 3.387 6.405 1.00 0.00 H new ATOM 285 N PHE A 141 17.992 4.849 10.338 1.00 0.00 N ATOM 286 CA PHE A 141 17.084 5.238 11.455 1.00 0.00 C ATOM 287 C PHE A 141 17.383 4.371 12.680 1.00 0.00 C ATOM 288 O PHE A 141 16.651 4.378 13.650 1.00 0.00 O ATOM 289 CB PHE A 141 15.631 5.029 11.027 1.00 0.00 C ATOM 290 CG PHE A 141 15.322 5.913 9.842 1.00 0.00 C ATOM 291 CD1 PHE A 141 14.953 7.249 10.043 1.00 0.00 C ATOM 292 CD2 PHE A 141 15.405 5.398 8.544 1.00 0.00 C ATOM 293 CE1 PHE A 141 14.666 8.068 8.944 1.00 0.00 C ATOM 294 CE2 PHE A 141 15.118 6.217 7.446 1.00 0.00 C ATOM 295 CZ PHE A 141 14.749 7.553 7.645 1.00 0.00 C ATOM 0 H PHE A 141 17.619 4.145 9.701 1.00 0.00 H new ATOM 0 HA PHE A 141 17.243 6.287 11.704 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.464 3.984 10.767 1.00 0.00 H new ATOM 0 HB3 PHE A 141 14.960 5.263 11.854 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.890 7.647 11.045 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.691 4.368 8.389 1.00 0.00 H new ATOM 0 HE1 PHE A 141 14.380 9.098 9.099 1.00 0.00 H new ATOM 0 HE2 PHE A 141 15.181 5.818 6.444 1.00 0.00 H new ATOM 0 HZ PHE A 141 14.529 8.185 6.798 1.00 0.00 H new ATOM 305 N ALA A 142 18.453 3.626 12.645 1.00 0.00 N ATOM 306 CA ALA A 142 18.798 2.760 13.807 1.00 0.00 C ATOM 307 C ALA A 142 19.148 3.637 15.011 1.00 0.00 C ATOM 308 O ALA A 142 19.679 4.720 14.869 1.00 0.00 O ATOM 309 CB ALA A 142 19.999 1.882 13.450 1.00 0.00 C ATOM 0 H ALA A 142 19.104 3.580 11.861 1.00 0.00 H new ATOM 0 HA ALA A 142 17.946 2.127 14.054 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.252 1.248 14.300 1.00 0.00 H new ATOM 0 HB2 ALA A 142 19.751 1.257 12.592 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.852 2.515 13.203 1.00 0.00 H new ATOM 315 N ASP A 143 18.854 3.176 16.197 1.00 0.00 N ATOM 316 CA ASP A 143 19.170 3.983 17.409 1.00 0.00 C ATOM 317 C ASP A 143 18.177 5.143 17.523 1.00 0.00 C ATOM 318 O ASP A 143 18.484 6.184 18.068 1.00 0.00 O ATOM 319 CB ASP A 143 20.591 4.538 17.296 1.00 0.00 C ATOM 320 CG ASP A 143 21.124 4.862 18.693 1.00 0.00 C ATOM 321 OD1 ASP A 143 20.410 4.614 19.651 1.00 0.00 O ATOM 322 OD2 ASP A 143 22.238 5.354 18.783 1.00 0.00 O ATOM 0 H ASP A 143 18.409 2.276 16.378 1.00 0.00 H new ATOM 0 HA ASP A 143 19.096 3.352 18.295 1.00 0.00 H new ATOM 0 HB2 ASP A 143 21.239 3.811 16.807 1.00 0.00 H new ATOM 0 HB3 ASP A 143 20.595 5.435 16.677 1.00 0.00 H new ATOM 327 N PHE A 144 16.988 4.970 17.012 1.00 0.00 N ATOM 328 CA PHE A 144 15.978 6.063 17.092 1.00 0.00 C ATOM 329 C PHE A 144 14.633 5.483 17.534 1.00 0.00 C ATOM 330 O PHE A 144 14.342 4.325 17.310 1.00 0.00 O ATOM 331 CB PHE A 144 15.823 6.717 15.718 1.00 0.00 C ATOM 332 CG PHE A 144 17.056 7.531 15.406 1.00 0.00 C ATOM 333 CD1 PHE A 144 17.162 8.848 15.871 1.00 0.00 C ATOM 334 CD2 PHE A 144 18.096 6.969 14.653 1.00 0.00 C ATOM 335 CE1 PHE A 144 18.305 9.602 15.581 1.00 0.00 C ATOM 336 CE2 PHE A 144 19.238 7.724 14.365 1.00 0.00 C ATOM 337 CZ PHE A 144 19.343 9.041 14.829 1.00 0.00 C ATOM 0 H PHE A 144 16.673 4.120 16.543 1.00 0.00 H new ATOM 0 HA PHE A 144 16.308 6.809 17.815 1.00 0.00 H new ATOM 0 HB2 PHE A 144 15.676 5.953 14.954 1.00 0.00 H new ATOM 0 HB3 PHE A 144 14.940 7.356 15.705 1.00 0.00 H new ATOM 0 HD1 PHE A 144 16.362 9.281 16.453 1.00 0.00 H new ATOM 0 HD2 PHE A 144 18.016 5.953 14.295 1.00 0.00 H new ATOM 0 HE1 PHE A 144 18.386 10.618 15.938 1.00 0.00 H new ATOM 0 HE2 PHE A 144 20.039 7.291 13.784 1.00 0.00 H new ATOM 0 HZ PHE A 144 20.225 9.623 14.607 1.00 0.00 H new ATOM 347 N ASN A 145 13.810 6.279 18.159 1.00 0.00 N ATOM 348 CA ASN A 145 12.484 5.773 18.615 1.00 0.00 C ATOM 349 C ASN A 145 11.374 6.480 17.835 1.00 0.00 C ATOM 350 O ASN A 145 11.600 7.483 17.187 1.00 0.00 O ATOM 351 CB ASN A 145 12.316 6.054 20.109 1.00 0.00 C ATOM 352 CG ASN A 145 12.139 7.558 20.329 1.00 0.00 C ATOM 353 OD1 ASN A 145 12.423 8.349 19.451 1.00 0.00 O ATOM 354 ND2 ASN A 145 11.678 7.989 21.471 1.00 0.00 N ATOM 0 H ASN A 145 13.998 7.258 18.374 1.00 0.00 H new ATOM 0 HA ASN A 145 12.425 4.699 18.439 1.00 0.00 H new ATOM 0 HB2 ASN A 145 11.451 5.515 20.496 1.00 0.00 H new ATOM 0 HB3 ASN A 145 13.187 5.696 20.657 1.00 0.00 H new ATOM 0 HD21 ASN A 145 11.556 8.990 21.627 1.00 0.00 H new ATOM 0 HD22 ASN A 145 11.440 7.325 22.208 1.00 0.00 H new ATOM 361 N GLY A 146 10.176 5.966 17.891 1.00 0.00 N ATOM 362 CA GLY A 146 9.054 6.610 17.152 1.00 0.00 C ATOM 363 C GLY A 146 7.741 5.905 17.499 1.00 0.00 C ATOM 364 O GLY A 146 7.707 5.002 18.312 1.00 0.00 O ATOM 0 H GLY A 146 9.926 5.128 18.416 1.00 0.00 H new ATOM 0 HA2 GLY A 146 8.992 7.666 17.413 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.234 6.557 16.078 1.00 0.00 H new ATOM 368 N VAL A 147 6.660 6.308 16.891 1.00 0.00 N ATOM 369 CA VAL A 147 5.351 5.660 17.185 1.00 0.00 C ATOM 370 C VAL A 147 4.817 4.992 15.918 1.00 0.00 C ATOM 371 O VAL A 147 5.233 5.300 14.819 1.00 0.00 O ATOM 372 CB VAL A 147 4.355 6.719 17.664 1.00 0.00 C ATOM 373 CG1 VAL A 147 3.041 6.041 18.059 1.00 0.00 C ATOM 374 CG2 VAL A 147 4.933 7.454 18.874 1.00 0.00 C ATOM 0 H VAL A 147 6.626 7.059 16.202 1.00 0.00 H new ATOM 0 HA VAL A 147 5.483 4.908 17.963 1.00 0.00 H new ATOM 0 HB VAL A 147 4.170 7.432 16.861 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.331 6.794 18.400 1.00 0.00 H new ATOM 0 HG12 VAL A 147 2.628 5.518 17.197 1.00 0.00 H new ATOM 0 HG13 VAL A 147 3.227 5.327 18.862 1.00 0.00 H new ATOM 0 HG21 VAL A 147 4.223 8.208 19.215 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.119 6.742 19.678 1.00 0.00 H new ATOM 0 HG23 VAL A 147 5.869 7.937 18.593 1.00 0.00 H new ATOM 384 N VAL A 148 3.896 4.078 16.061 1.00 0.00 N ATOM 385 CA VAL A 148 3.336 3.392 14.862 1.00 0.00 C ATOM 386 C VAL A 148 2.074 4.121 14.399 1.00 0.00 C ATOM 387 O VAL A 148 0.993 3.893 14.904 1.00 0.00 O ATOM 388 CB VAL A 148 2.987 1.945 15.220 1.00 0.00 C ATOM 389 CG1 VAL A 148 2.392 1.246 13.995 1.00 0.00 C ATOM 390 CG2 VAL A 148 4.253 1.209 15.662 1.00 0.00 C ATOM 0 H VAL A 148 3.508 3.777 16.955 1.00 0.00 H new ATOM 0 HA VAL A 148 4.075 3.401 14.060 1.00 0.00 H new ATOM 0 HB VAL A 148 2.260 1.937 16.032 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.143 0.216 14.249 1.00 0.00 H new ATOM 0 HG12 VAL A 148 1.490 1.770 13.680 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.119 1.254 13.183 1.00 0.00 H new ATOM 0 HG21 VAL A 148 4.005 0.179 15.917 1.00 0.00 H new ATOM 0 HG22 VAL A 148 4.980 1.217 14.850 1.00 0.00 H new ATOM 0 HG23 VAL A 148 4.677 1.706 16.534 1.00 0.00 H new ATOM 400 N GLU A 149 2.202 4.997 13.440 1.00 0.00 N ATOM 401 CA GLU A 149 1.009 5.739 12.945 1.00 0.00 C ATOM 402 C GLU A 149 0.046 4.761 12.268 1.00 0.00 C ATOM 403 O GLU A 149 -1.156 4.937 12.298 1.00 0.00 O ATOM 404 CB GLU A 149 1.450 6.800 11.935 1.00 0.00 C ATOM 405 CG GLU A 149 2.382 7.801 12.622 1.00 0.00 C ATOM 406 CD GLU A 149 2.792 8.885 11.623 1.00 0.00 C ATOM 407 OE1 GLU A 149 2.503 8.720 10.449 1.00 0.00 O ATOM 408 OE2 GLU A 149 3.388 9.860 12.048 1.00 0.00 O ATOM 0 H GLU A 149 3.081 5.231 12.978 1.00 0.00 H new ATOM 0 HA GLU A 149 0.508 6.222 13.784 1.00 0.00 H new ATOM 0 HB2 GLU A 149 1.961 6.328 11.095 1.00 0.00 H new ATOM 0 HB3 GLU A 149 0.580 7.316 11.530 1.00 0.00 H new ATOM 0 HG2 GLU A 149 1.881 8.252 13.479 1.00 0.00 H new ATOM 0 HG3 GLU A 149 3.266 7.289 13.003 1.00 0.00 H new ATOM 415 N GLU A 150 0.565 3.730 11.659 1.00 0.00 N ATOM 416 CA GLU A 150 -0.320 2.741 10.982 1.00 0.00 C ATOM 417 C GLU A 150 0.326 1.356 11.042 1.00 0.00 C ATOM 418 O GLU A 150 1.533 1.224 11.067 1.00 0.00 O ATOM 419 CB GLU A 150 -0.516 3.150 9.520 1.00 0.00 C ATOM 420 CG GLU A 150 -1.563 2.241 8.873 1.00 0.00 C ATOM 421 CD GLU A 150 -1.698 2.594 7.389 1.00 0.00 C ATOM 422 OE1 GLU A 150 -0.989 3.482 6.945 1.00 0.00 O ATOM 423 OE2 GLU A 150 -2.505 1.969 6.723 1.00 0.00 O ATOM 0 H GLU A 150 1.564 3.530 11.601 1.00 0.00 H new ATOM 0 HA GLU A 150 -1.287 2.713 11.484 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -0.836 4.190 9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 150 0.428 3.076 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -1.272 1.196 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -2.523 2.360 9.375 1.00 0.00 H new ATOM 430 N VAL A 151 -0.468 0.321 11.066 1.00 0.00 N ATOM 431 CA VAL A 151 0.102 -1.054 11.125 1.00 0.00 C ATOM 432 C VAL A 151 -0.431 -1.879 9.952 1.00 0.00 C ATOM 433 O VAL A 151 -1.529 -1.664 9.477 1.00 0.00 O ATOM 434 CB VAL A 151 -0.304 -1.718 12.442 1.00 0.00 C ATOM 435 CG1 VAL A 151 0.356 -3.095 12.544 1.00 0.00 C ATOM 436 CG2 VAL A 151 0.149 -0.847 13.615 1.00 0.00 C ATOM 0 H VAL A 151 -1.487 0.368 11.047 1.00 0.00 H new ATOM 0 HA VAL A 151 1.189 -0.999 11.065 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.388 -1.831 12.472 1.00 0.00 H new ATOM 0 HG11 VAL A 151 0.067 -3.568 13.482 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.032 -3.716 11.709 1.00 0.00 H new ATOM 0 HG13 VAL A 151 1.440 -2.982 12.513 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.141 -1.321 14.553 1.00 0.00 H new ATOM 0 HG22 VAL A 151 1.233 -0.732 13.586 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -0.322 0.133 13.543 1.00 0.00 H new ATOM 446 N ASP A 152 0.337 -2.822 9.480 1.00 0.00 N ATOM 447 CA ASP A 152 -0.126 -3.660 8.339 1.00 0.00 C ATOM 448 C ASP A 152 0.213 -5.127 8.612 1.00 0.00 C ATOM 449 O ASP A 152 1.185 -5.654 8.108 1.00 0.00 O ATOM 450 CB ASP A 152 0.573 -3.205 7.056 1.00 0.00 C ATOM 451 CG ASP A 152 0.080 -1.809 6.674 1.00 0.00 C ATOM 452 OD1 ASP A 152 -0.927 -1.388 7.220 1.00 0.00 O ATOM 453 OD2 ASP A 152 0.717 -1.184 5.843 1.00 0.00 O ATOM 0 H ASP A 152 1.266 -3.048 9.836 1.00 0.00 H new ATOM 0 HA ASP A 152 -1.204 -3.552 8.223 1.00 0.00 H new ATOM 0 HB2 ASP A 152 1.653 -3.193 7.202 1.00 0.00 H new ATOM 0 HB3 ASP A 152 0.368 -3.908 6.249 1.00 0.00 H new ATOM 458 N TYR A 153 -0.580 -5.791 9.409 1.00 0.00 N ATOM 459 CA TYR A 153 -0.301 -7.222 9.715 1.00 0.00 C ATOM 460 C TYR A 153 -0.406 -8.049 8.432 1.00 0.00 C ATOM 461 O TYR A 153 0.347 -8.978 8.216 1.00 0.00 O ATOM 462 CB TYR A 153 -1.321 -7.732 10.735 1.00 0.00 C ATOM 463 CG TYR A 153 -1.155 -6.978 12.033 1.00 0.00 C ATOM 464 CD1 TYR A 153 -0.168 -7.366 12.947 1.00 0.00 C ATOM 465 CD2 TYR A 153 -1.989 -5.891 12.322 1.00 0.00 C ATOM 466 CE1 TYR A 153 -0.014 -6.667 14.149 1.00 0.00 C ATOM 467 CE2 TYR A 153 -1.835 -5.193 13.526 1.00 0.00 C ATOM 468 CZ TYR A 153 -0.848 -5.580 14.439 1.00 0.00 C ATOM 469 OH TYR A 153 -0.696 -4.892 15.625 1.00 0.00 O ATOM 0 H TYR A 153 -1.408 -5.404 9.861 1.00 0.00 H new ATOM 0 HA TYR A 153 0.704 -7.317 10.126 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -2.333 -7.599 10.351 1.00 0.00 H new ATOM 0 HB3 TYR A 153 -1.181 -8.800 10.902 1.00 0.00 H new ATOM 0 HD1 TYR A 153 0.475 -8.205 12.724 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -2.750 -5.591 11.617 1.00 0.00 H new ATOM 0 HE1 TYR A 153 0.748 -6.966 14.853 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -2.479 -4.355 13.750 1.00 0.00 H new ATOM 0 HH TYR A 153 0.239 -4.617 15.726 1.00 0.00 H new ATOM 479 N GLU A 154 -1.337 -7.721 7.578 1.00 0.00 N ATOM 480 CA GLU A 154 -1.489 -8.490 6.310 1.00 0.00 C ATOM 481 C GLU A 154 -0.190 -8.411 5.505 1.00 0.00 C ATOM 482 O GLU A 154 0.303 -9.402 5.006 1.00 0.00 O ATOM 483 CB GLU A 154 -2.636 -7.898 5.488 1.00 0.00 C ATOM 484 CG GLU A 154 -2.892 -8.778 4.263 1.00 0.00 C ATOM 485 CD GLU A 154 -3.993 -8.151 3.406 1.00 0.00 C ATOM 486 OE1 GLU A 154 -4.482 -7.098 3.782 1.00 0.00 O ATOM 487 OE2 GLU A 154 -4.328 -8.733 2.388 1.00 0.00 O ATOM 0 H GLU A 154 -1.998 -6.955 7.703 1.00 0.00 H new ATOM 0 HA GLU A 154 -1.709 -9.532 6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -3.538 -7.832 6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -2.388 -6.884 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -1.977 -8.883 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -3.186 -9.780 4.577 1.00 0.00 H new ATOM 494 N LYS A 155 0.367 -7.238 5.374 1.00 0.00 N ATOM 495 CA LYS A 155 1.632 -7.097 4.600 1.00 0.00 C ATOM 496 C LYS A 155 2.829 -7.258 5.541 1.00 0.00 C ATOM 497 O LYS A 155 3.969 -7.173 5.128 1.00 0.00 O ATOM 498 CB LYS A 155 1.678 -5.713 3.948 1.00 0.00 C ATOM 499 CG LYS A 155 0.513 -5.573 2.966 1.00 0.00 C ATOM 500 CD LYS A 155 0.605 -4.221 2.255 1.00 0.00 C ATOM 501 CE LYS A 155 -0.640 -4.014 1.390 1.00 0.00 C ATOM 502 NZ LYS A 155 -0.963 -2.560 1.324 1.00 0.00 N ATOM 0 H LYS A 155 0.001 -6.372 5.769 1.00 0.00 H new ATOM 0 HA LYS A 155 1.673 -7.865 3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 155 1.619 -4.937 4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 155 2.625 -5.576 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 155 0.539 -6.382 2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -0.436 -5.653 3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 155 0.690 -3.418 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.501 -4.184 1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -0.468 -4.405 0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -1.482 -4.566 1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -1.809 -2.419 0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -1.144 -2.201 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -0.162 -2.045 0.907 1.00 0.00 H new ATOM 516 N SER A 156 2.582 -7.491 6.802 1.00 0.00 N ATOM 517 CA SER A 156 3.710 -7.657 7.763 1.00 0.00 C ATOM 518 C SER A 156 4.612 -6.423 7.709 1.00 0.00 C ATOM 519 O SER A 156 5.809 -6.525 7.529 1.00 0.00 O ATOM 520 CB SER A 156 4.520 -8.899 7.389 1.00 0.00 C ATOM 521 OG SER A 156 5.675 -8.975 8.210 1.00 0.00 O ATOM 0 H SER A 156 1.650 -7.573 7.208 1.00 0.00 H new ATOM 0 HA SER A 156 3.314 -7.773 8.772 1.00 0.00 H new ATOM 0 HB2 SER A 156 3.912 -9.795 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 156 4.809 -8.855 6.339 1.00 0.00 H new ATOM 0 HG SER A 156 6.241 -8.191 8.052 1.00 0.00 H new ATOM 527 N ARG A 157 4.047 -5.257 7.862 1.00 0.00 N ATOM 528 CA ARG A 157 4.875 -4.017 7.819 1.00 0.00 C ATOM 529 C ARG A 157 4.378 -3.038 8.884 1.00 0.00 C ATOM 530 O ARG A 157 3.193 -2.895 9.108 1.00 0.00 O ATOM 531 CB ARG A 157 4.754 -3.372 6.437 1.00 0.00 C ATOM 532 CG ARG A 157 5.297 -4.334 5.377 1.00 0.00 C ATOM 533 CD ARG A 157 6.821 -4.403 5.484 1.00 0.00 C ATOM 534 NE ARG A 157 7.366 -5.174 4.332 1.00 0.00 N ATOM 535 CZ ARG A 157 7.315 -4.671 3.129 1.00 0.00 C ATOM 536 NH1 ARG A 157 7.662 -3.429 2.925 1.00 0.00 N ATOM 537 NH2 ARG A 157 6.919 -5.410 2.129 1.00 0.00 N ATOM 0 H ARG A 157 3.049 -5.109 8.015 1.00 0.00 H new ATOM 0 HA ARG A 157 5.918 -4.267 8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 157 3.712 -3.131 6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 157 5.309 -2.434 6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 157 4.867 -5.326 5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 157 5.006 -3.997 4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.241 -3.397 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.109 -4.878 6.422 1.00 0.00 H new ATOM 0 HE ARG A 157 7.779 -6.094 4.483 1.00 0.00 H new ATOM 0 HH11 ARG A 157 7.973 -2.852 3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 157 7.622 -3.036 1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 157 6.649 -6.381 2.288 1.00 0.00 H new ATOM 0 HH22 ARG A 157 6.879 -5.017 1.189 1.00 0.00 H new ATOM 551 N LEU A 158 5.278 -2.360 9.546 1.00 0.00 N ATOM 552 CA LEU A 158 4.856 -1.392 10.596 1.00 0.00 C ATOM 553 C LEU A 158 5.128 0.035 10.115 1.00 0.00 C ATOM 554 O LEU A 158 6.215 0.354 9.675 1.00 0.00 O ATOM 555 CB LEU A 158 5.645 -1.654 11.880 1.00 0.00 C ATOM 556 CG LEU A 158 5.438 -3.106 12.318 1.00 0.00 C ATOM 557 CD1 LEU A 158 6.139 -3.337 13.659 1.00 0.00 C ATOM 558 CD2 LEU A 158 3.942 -3.384 12.469 1.00 0.00 C ATOM 0 H LEU A 158 6.285 -2.436 9.404 1.00 0.00 H new ATOM 0 HA LEU A 158 3.791 -1.513 10.792 1.00 0.00 H new ATOM 0 HB2 LEU A 158 6.705 -1.460 11.714 1.00 0.00 H new ATOM 0 HB3 LEU A 158 5.316 -0.975 12.667 1.00 0.00 H new ATOM 0 HG LEU A 158 5.857 -3.777 11.568 1.00 0.00 H new ATOM 0 HD11 LEU A 158 5.993 -4.371 13.973 1.00 0.00 H new ATOM 0 HD12 LEU A 158 7.205 -3.138 13.551 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.719 -2.667 14.409 1.00 0.00 H new ATOM 0 HD21 LEU A 158 3.794 -4.418 12.781 1.00 0.00 H new ATOM 0 HD22 LEU A 158 3.521 -2.715 13.220 1.00 0.00 H new ATOM 0 HD23 LEU A 158 3.443 -3.218 11.514 1.00 0.00 H new ATOM 570 N LYS A 159 4.151 0.895 10.198 1.00 0.00 N ATOM 571 CA LYS A 159 4.356 2.301 9.747 1.00 0.00 C ATOM 572 C LYS A 159 4.803 3.155 10.936 1.00 0.00 C ATOM 573 O LYS A 159 4.016 3.499 11.795 1.00 0.00 O ATOM 574 CB LYS A 159 3.044 2.853 9.186 1.00 0.00 C ATOM 575 CG LYS A 159 3.289 4.241 8.591 1.00 0.00 C ATOM 576 CD LYS A 159 1.960 4.836 8.120 1.00 0.00 C ATOM 577 CE LYS A 159 2.228 6.125 7.339 1.00 0.00 C ATOM 578 NZ LYS A 159 2.370 5.807 5.889 1.00 0.00 N ATOM 0 H LYS A 159 3.220 0.686 10.558 1.00 0.00 H new ATOM 0 HA LYS A 159 5.121 2.328 8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 159 2.652 2.182 8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 159 2.294 2.911 9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 159 3.748 4.892 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 159 3.985 4.172 7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 159 1.431 4.120 7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 159 1.318 5.043 8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 159 1.411 6.830 7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 159 3.135 6.604 7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 2.552 6.682 5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 3.164 5.149 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 1.493 5.368 5.542 1.00 0.00 H new ATOM 592 N VAL A 160 6.060 3.497 10.993 1.00 0.00 N ATOM 593 CA VAL A 160 6.555 4.327 12.127 1.00 0.00 C ATOM 594 C VAL A 160 7.240 5.582 11.582 1.00 0.00 C ATOM 595 O VAL A 160 7.943 5.536 10.591 1.00 0.00 O ATOM 596 CB VAL A 160 7.556 3.517 12.952 1.00 0.00 C ATOM 597 CG1 VAL A 160 7.992 4.333 14.171 1.00 0.00 C ATOM 598 CG2 VAL A 160 6.899 2.216 13.419 1.00 0.00 C ATOM 0 H VAL A 160 6.766 3.238 10.304 1.00 0.00 H new ATOM 0 HA VAL A 160 5.715 4.618 12.758 1.00 0.00 H new ATOM 0 HB VAL A 160 8.427 3.285 12.339 1.00 0.00 H new ATOM 0 HG11 VAL A 160 8.705 3.756 14.759 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.461 5.260 13.840 1.00 0.00 H new ATOM 0 HG13 VAL A 160 7.121 4.566 14.784 1.00 0.00 H new ATOM 0 HG21 VAL A 160 7.613 1.639 14.007 1.00 0.00 H new ATOM 0 HG22 VAL A 160 6.028 2.448 14.031 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.588 1.634 12.552 1.00 0.00 H new ATOM 608 N SER A 161 7.042 6.702 12.221 1.00 0.00 N ATOM 609 CA SER A 161 7.683 7.958 11.740 1.00 0.00 C ATOM 610 C SER A 161 8.787 8.372 12.714 1.00 0.00 C ATOM 611 O SER A 161 8.624 8.306 13.916 1.00 0.00 O ATOM 612 CB SER A 161 6.632 9.067 11.657 1.00 0.00 C ATOM 613 OG SER A 161 7.216 10.232 11.092 1.00 0.00 O ATOM 0 H SER A 161 6.464 6.802 13.055 1.00 0.00 H new ATOM 0 HA SER A 161 8.114 7.792 10.753 1.00 0.00 H new ATOM 0 HB2 SER A 161 5.789 8.739 11.049 1.00 0.00 H new ATOM 0 HB3 SER A 161 6.242 9.288 12.651 1.00 0.00 H new ATOM 0 HG SER A 161 6.684 10.525 10.323 1.00 0.00 H new ATOM 619 N VAL A 162 9.911 8.799 12.207 1.00 0.00 N ATOM 620 CA VAL A 162 11.023 9.216 13.106 1.00 0.00 C ATOM 621 C VAL A 162 11.123 10.742 13.126 1.00 0.00 C ATOM 622 O VAL A 162 10.996 11.396 12.110 1.00 0.00 O ATOM 623 CB VAL A 162 12.338 8.624 12.600 1.00 0.00 C ATOM 624 CG1 VAL A 162 12.741 9.338 11.314 1.00 0.00 C ATOM 625 CG2 VAL A 162 13.427 8.816 13.657 1.00 0.00 C ATOM 0 H VAL A 162 10.107 8.877 11.209 1.00 0.00 H new ATOM 0 HA VAL A 162 10.827 8.854 14.115 1.00 0.00 H new ATOM 0 HB VAL A 162 12.212 7.559 12.406 1.00 0.00 H new ATOM 0 HG11 VAL A 162 13.679 8.922 10.945 1.00 0.00 H new ATOM 0 HG12 VAL A 162 11.963 9.201 10.563 1.00 0.00 H new ATOM 0 HG13 VAL A 162 12.870 10.402 11.513 1.00 0.00 H new ATOM 0 HG21 VAL A 162 14.364 8.393 13.295 1.00 0.00 H new ATOM 0 HG22 VAL A 162 13.560 9.880 13.853 1.00 0.00 H new ATOM 0 HG23 VAL A 162 13.133 8.312 14.578 1.00 0.00 H new ATOM 635 N SER A 163 11.349 11.316 14.276 1.00 0.00 N ATOM 636 CA SER A 163 11.457 12.800 14.361 1.00 0.00 C ATOM 637 C SER A 163 12.929 13.198 14.474 1.00 0.00 C ATOM 638 O SER A 163 13.496 13.214 15.549 1.00 0.00 O ATOM 639 CB SER A 163 10.696 13.297 15.592 1.00 0.00 C ATOM 640 OG SER A 163 9.309 13.360 15.298 1.00 0.00 O ATOM 0 H SER A 163 11.464 10.821 15.161 1.00 0.00 H new ATOM 0 HA SER A 163 11.028 13.248 13.465 1.00 0.00 H new ATOM 0 HB2 SER A 163 10.870 12.628 16.435 1.00 0.00 H new ATOM 0 HB3 SER A 163 11.061 14.281 15.886 1.00 0.00 H new ATOM 0 HG SER A 163 8.821 13.677 16.087 1.00 0.00 H new ATOM 692 N ARG A 167 12.090 17.060 12.216 1.00 0.00 N ATOM 693 CA ARG A 167 11.355 16.667 10.981 1.00 0.00 C ATOM 694 C ARG A 167 10.874 15.221 11.111 1.00 0.00 C ATOM 695 O ARG A 167 11.507 14.401 11.748 1.00 0.00 O ATOM 696 CB ARG A 167 12.286 16.789 9.773 1.00 0.00 C ATOM 697 CG ARG A 167 12.710 18.249 9.598 1.00 0.00 C ATOM 698 CD ARG A 167 13.559 18.387 8.334 1.00 0.00 C ATOM 699 NE ARG A 167 14.147 19.756 8.276 1.00 0.00 N ATOM 700 CZ ARG A 167 15.428 19.908 8.082 1.00 0.00 C ATOM 701 NH1 ARG A 167 15.962 19.555 6.944 1.00 0.00 N ATOM 702 NH2 ARG A 167 16.176 20.413 9.025 1.00 0.00 N ATOM 0 HA ARG A 167 10.496 17.324 10.845 1.00 0.00 H new ATOM 0 HB2 ARG A 167 13.164 16.159 9.913 1.00 0.00 H new ATOM 0 HB3 ARG A 167 11.780 16.436 8.874 1.00 0.00 H new ATOM 0 HG2 ARG A 167 11.830 18.888 9.529 1.00 0.00 H new ATOM 0 HG3 ARG A 167 13.277 18.580 10.468 1.00 0.00 H new ATOM 0 HD2 ARG A 167 14.352 17.639 8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 167 12.947 18.205 7.451 1.00 0.00 H new ATOM 0 HE ARG A 167 13.548 20.574 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 167 15.378 19.161 6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 167 16.964 19.674 6.792 1.00 0.00 H new ATOM 0 HH21 ARG A 167 15.759 20.689 9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 167 17.178 20.532 8.873 1.00 0.00 H new ATOM 716 N ALA A 168 9.760 14.900 10.514 1.00 0.00 N ATOM 717 CA ALA A 168 9.240 13.506 10.605 1.00 0.00 C ATOM 718 C ALA A 168 9.631 12.732 9.345 1.00 0.00 C ATOM 719 O ALA A 168 9.576 13.248 8.246 1.00 0.00 O ATOM 720 CB ALA A 168 7.715 13.538 10.732 1.00 0.00 C ATOM 0 H ALA A 168 9.187 15.542 9.967 1.00 0.00 H new ATOM 0 HA ALA A 168 9.667 13.015 11.479 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.334 12.519 10.799 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.436 14.089 11.630 1.00 0.00 H new ATOM 0 HB3 ALA A 168 7.287 14.029 9.858 1.00 0.00 H new ATOM 726 N THR A 169 10.026 11.497 9.495 1.00 0.00 N ATOM 727 CA THR A 169 10.420 10.692 8.305 1.00 0.00 C ATOM 728 C THR A 169 9.690 9.347 8.335 1.00 0.00 C ATOM 729 O THR A 169 10.274 8.321 8.622 1.00 0.00 O ATOM 730 CB THR A 169 11.932 10.451 8.329 1.00 0.00 C ATOM 731 OG1 THR A 169 12.596 11.660 8.672 1.00 0.00 O ATOM 732 CG2 THR A 169 12.398 9.984 6.949 1.00 0.00 C ATOM 0 H THR A 169 10.093 11.011 10.390 1.00 0.00 H new ATOM 0 HA THR A 169 10.152 11.232 7.397 1.00 0.00 H new ATOM 0 HB THR A 169 12.167 9.684 9.067 1.00 0.00 H new ATOM 0 HG1 THR A 169 13.564 11.508 8.690 1.00 0.00 H new ATOM 0 HG21 THR A 169 13.474 9.813 6.967 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.887 9.057 6.687 1.00 0.00 H new ATOM 0 HG23 THR A 169 12.165 10.749 6.208 1.00 0.00 H new ATOM 740 N PRO A 170 8.385 9.360 8.030 1.00 0.00 N ATOM 741 CA PRO A 170 7.563 8.144 8.020 1.00 0.00 C ATOM 742 C PRO A 170 8.229 7.014 7.227 1.00 0.00 C ATOM 743 O PRO A 170 8.331 7.069 6.018 1.00 0.00 O ATOM 744 CB PRO A 170 6.278 8.585 7.320 1.00 0.00 C ATOM 745 CG PRO A 170 6.689 9.742 6.474 1.00 0.00 C ATOM 746 CD PRO A 170 7.790 10.439 7.222 1.00 0.00 C ATOM 0 HA PRO A 170 7.404 7.750 9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.860 7.780 6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 170 5.513 8.873 8.041 1.00 0.00 H new ATOM 0 HG2 PRO A 170 7.035 9.406 5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 170 5.849 10.415 6.301 1.00 0.00 H new ATOM 0 HD2 PRO A 170 8.519 10.883 6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 170 7.405 11.244 7.847 1.00 0.00 H new ATOM 754 N VAL A 171 8.681 5.992 7.899 1.00 0.00 N ATOM 755 CA VAL A 171 9.338 4.862 7.185 1.00 0.00 C ATOM 756 C VAL A 171 8.702 3.541 7.624 1.00 0.00 C ATOM 757 O VAL A 171 8.126 3.444 8.690 1.00 0.00 O ATOM 758 CB VAL A 171 10.831 4.845 7.521 1.00 0.00 C ATOM 759 CG1 VAL A 171 11.455 6.188 7.137 1.00 0.00 C ATOM 760 CG2 VAL A 171 11.012 4.608 9.021 1.00 0.00 C ATOM 0 H VAL A 171 8.624 5.890 8.912 1.00 0.00 H new ATOM 0 HA VAL A 171 9.208 4.988 6.110 1.00 0.00 H new ATOM 0 HB VAL A 171 11.321 4.045 6.965 1.00 0.00 H new ATOM 0 HG11 VAL A 171 12.518 6.177 7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 171 11.325 6.357 6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 171 10.967 6.988 7.693 1.00 0.00 H new ATOM 0 HG21 VAL A 171 12.075 4.596 9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 171 10.523 5.408 9.577 1.00 0.00 H new ATOM 0 HG23 VAL A 171 10.567 3.651 9.295 1.00 0.00 H new ATOM 770 N GLU A 172 8.800 2.525 6.812 1.00 0.00 N ATOM 771 CA GLU A 172 8.200 1.213 7.185 1.00 0.00 C ATOM 772 C GLU A 172 9.300 0.272 7.682 1.00 0.00 C ATOM 773 O GLU A 172 10.323 0.107 7.048 1.00 0.00 O ATOM 774 CB GLU A 172 7.517 0.599 5.962 1.00 0.00 C ATOM 775 CG GLU A 172 6.412 1.536 5.470 1.00 0.00 C ATOM 776 CD GLU A 172 5.337 1.668 6.551 1.00 0.00 C ATOM 777 OE1 GLU A 172 5.333 0.851 7.457 1.00 0.00 O ATOM 778 OE2 GLU A 172 4.538 2.585 6.454 1.00 0.00 O ATOM 0 H GLU A 172 9.269 2.546 5.907 1.00 0.00 H new ATOM 0 HA GLU A 172 7.464 1.361 7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 172 8.247 0.433 5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 172 7.097 -0.374 6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 172 6.829 2.515 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 172 5.973 1.147 4.551 1.00 0.00 H new ATOM 785 N LEU A 173 9.096 -0.349 8.811 1.00 0.00 N ATOM 786 CA LEU A 173 10.130 -1.279 9.348 1.00 0.00 C ATOM 787 C LEU A 173 9.468 -2.599 9.749 1.00 0.00 C ATOM 788 O LEU A 173 8.322 -2.633 10.151 1.00 0.00 O ATOM 789 CB LEU A 173 10.795 -0.649 10.574 1.00 0.00 C ATOM 790 CG LEU A 173 11.302 0.749 10.218 1.00 0.00 C ATOM 791 CD1 LEU A 173 12.030 1.350 11.422 1.00 0.00 C ATOM 792 CD2 LEU A 173 12.268 0.656 9.034 1.00 0.00 C ATOM 0 H LEU A 173 8.258 -0.253 9.385 1.00 0.00 H new ATOM 0 HA LEU A 173 10.883 -1.467 8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 173 10.083 -0.590 11.397 1.00 0.00 H new ATOM 0 HB3 LEU A 173 11.623 -1.272 10.912 1.00 0.00 H new ATOM 0 HG LEU A 173 10.457 1.383 9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 173 12.391 2.347 11.168 1.00 0.00 H new ATOM 0 HD12 LEU A 173 11.344 1.417 12.266 1.00 0.00 H new ATOM 0 HD13 LEU A 173 12.874 0.715 11.691 1.00 0.00 H new ATOM 0 HD21 LEU A 173 12.629 1.653 8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 173 13.112 0.021 9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 173 11.751 0.228 8.175 1.00 0.00 H new ATOM 804 N ASP A 174 10.180 -3.688 9.642 1.00 0.00 N ATOM 805 CA ASP A 174 9.590 -5.004 10.017 1.00 0.00 C ATOM 806 C ASP A 174 9.520 -5.115 11.541 1.00 0.00 C ATOM 807 O ASP A 174 10.045 -4.285 12.257 1.00 0.00 O ATOM 808 CB ASP A 174 10.466 -6.130 9.464 1.00 0.00 C ATOM 809 CG ASP A 174 10.416 -6.112 7.935 1.00 0.00 C ATOM 810 OD1 ASP A 174 9.546 -5.446 7.399 1.00 0.00 O ATOM 811 OD2 ASP A 174 11.248 -6.764 7.327 1.00 0.00 O ATOM 0 H ASP A 174 11.144 -3.723 9.311 1.00 0.00 H new ATOM 0 HA ASP A 174 8.586 -5.085 9.600 1.00 0.00 H new ATOM 0 HB2 ASP A 174 11.494 -6.007 9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 174 10.118 -7.093 9.838 1.00 0.00 H new ATOM 816 N PHE A 175 8.875 -6.132 12.042 1.00 0.00 N ATOM 817 CA PHE A 175 8.774 -6.294 13.520 1.00 0.00 C ATOM 818 C PHE A 175 10.170 -6.521 14.104 1.00 0.00 C ATOM 819 O PHE A 175 10.487 -6.051 15.179 1.00 0.00 O ATOM 820 CB PHE A 175 7.882 -7.495 13.842 1.00 0.00 C ATOM 821 CG PHE A 175 6.640 -7.456 12.981 1.00 0.00 C ATOM 822 CD1 PHE A 175 6.206 -6.245 12.425 1.00 0.00 C ATOM 823 CD2 PHE A 175 5.920 -8.632 12.738 1.00 0.00 C ATOM 824 CE1 PHE A 175 5.057 -6.211 11.628 1.00 0.00 C ATOM 825 CE2 PHE A 175 4.770 -8.599 11.942 1.00 0.00 C ATOM 826 CZ PHE A 175 4.338 -7.389 11.386 1.00 0.00 C ATOM 0 H PHE A 175 8.414 -6.857 11.493 1.00 0.00 H new ATOM 0 HA PHE A 175 8.340 -5.394 13.956 1.00 0.00 H new ATOM 0 HB2 PHE A 175 8.428 -8.422 13.667 1.00 0.00 H new ATOM 0 HB3 PHE A 175 7.605 -7.482 14.896 1.00 0.00 H new ATOM 0 HD1 PHE A 175 6.759 -5.337 12.612 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.253 -9.566 13.166 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.724 -5.277 11.199 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.215 -9.507 11.756 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.451 -7.364 10.771 1.00 0.00 H new ATOM 836 N SER A 176 11.006 -7.236 13.404 1.00 0.00 N ATOM 837 CA SER A 176 12.381 -7.490 13.919 1.00 0.00 C ATOM 838 C SER A 176 13.255 -6.262 13.658 1.00 0.00 C ATOM 839 O SER A 176 14.210 -6.006 14.364 1.00 0.00 O ATOM 840 CB SER A 176 12.978 -8.703 13.201 1.00 0.00 C ATOM 841 OG SER A 176 13.227 -8.374 11.842 1.00 0.00 O ATOM 0 H SER A 176 10.797 -7.655 12.498 1.00 0.00 H new ATOM 0 HA SER A 176 12.339 -7.687 14.990 1.00 0.00 H new ATOM 0 HB2 SER A 176 13.904 -9.008 13.688 1.00 0.00 H new ATOM 0 HB3 SER A 176 12.293 -9.549 13.262 1.00 0.00 H new ATOM 0 HG SER A 176 13.611 -9.150 11.383 1.00 0.00 H new ATOM 847 N GLN A 177 12.935 -5.499 12.649 1.00 0.00 N ATOM 848 CA GLN A 177 13.747 -4.287 12.343 1.00 0.00 C ATOM 849 C GLN A 177 13.544 -3.248 13.447 1.00 0.00 C ATOM 850 O GLN A 177 14.341 -2.345 13.617 1.00 0.00 O ATOM 851 CB GLN A 177 13.302 -3.700 11.002 1.00 0.00 C ATOM 852 CG GLN A 177 13.909 -4.515 9.860 1.00 0.00 C ATOM 853 CD GLN A 177 13.391 -3.983 8.522 1.00 0.00 C ATOM 854 OE1 GLN A 177 13.354 -4.700 7.543 1.00 0.00 O ATOM 855 NE2 GLN A 177 12.987 -2.745 8.439 1.00 0.00 N ATOM 0 H GLN A 177 12.146 -5.662 12.023 1.00 0.00 H new ATOM 0 HA GLN A 177 14.801 -4.559 12.288 1.00 0.00 H new ATOM 0 HB2 GLN A 177 12.214 -3.710 10.932 1.00 0.00 H new ATOM 0 HB3 GLN A 177 13.616 -2.659 10.927 1.00 0.00 H new ATOM 0 HG2 GLN A 177 14.997 -4.452 9.892 1.00 0.00 H new ATOM 0 HG3 GLN A 177 13.647 -5.567 9.971 1.00 0.00 H new ATOM 0 HE21 GLN A 177 13.018 -2.142 9.261 1.00 0.00 H new ATOM 0 HE22 GLN A 177 12.640 -2.380 7.552 1.00 0.00 H new ATOM 864 N VAL A 178 12.484 -3.365 14.199 1.00 0.00 N ATOM 865 CA VAL A 178 12.233 -2.382 15.289 1.00 0.00 C ATOM 866 C VAL A 178 11.797 -3.123 16.556 1.00 0.00 C ATOM 867 O VAL A 178 11.263 -4.212 16.496 1.00 0.00 O ATOM 868 CB VAL A 178 11.128 -1.414 14.858 1.00 0.00 C ATOM 869 CG1 VAL A 178 11.420 -0.905 13.446 1.00 0.00 C ATOM 870 CG2 VAL A 178 9.780 -2.138 14.869 1.00 0.00 C ATOM 0 H VAL A 178 11.782 -4.099 14.105 1.00 0.00 H new ATOM 0 HA VAL A 178 13.147 -1.824 15.492 1.00 0.00 H new ATOM 0 HB VAL A 178 11.093 -0.572 15.550 1.00 0.00 H new ATOM 0 HG11 VAL A 178 10.634 -0.216 13.138 1.00 0.00 H new ATOM 0 HG12 VAL A 178 12.380 -0.388 13.437 1.00 0.00 H new ATOM 0 HG13 VAL A 178 11.455 -1.748 12.755 1.00 0.00 H new ATOM 0 HG21 VAL A 178 8.994 -1.448 14.562 1.00 0.00 H new ATOM 0 HG22 VAL A 178 9.814 -2.980 14.178 1.00 0.00 H new ATOM 0 HG23 VAL A 178 9.571 -2.502 15.875 1.00 0.00 H new ATOM 880 N GLU A 179 12.022 -2.541 17.702 1.00 0.00 N ATOM 881 CA GLU A 179 11.620 -3.213 18.970 1.00 0.00 C ATOM 882 C GLU A 179 10.621 -2.329 19.720 1.00 0.00 C ATOM 883 O GLU A 179 10.449 -1.168 19.409 1.00 0.00 O ATOM 884 CB GLU A 179 12.858 -3.437 19.841 1.00 0.00 C ATOM 885 CG GLU A 179 13.990 -4.003 18.982 1.00 0.00 C ATOM 886 CD GLU A 179 15.155 -4.419 19.881 1.00 0.00 C ATOM 887 OE1 GLU A 179 15.205 -3.953 21.006 1.00 0.00 O ATOM 888 OE2 GLU A 179 15.979 -5.198 19.429 1.00 0.00 O ATOM 0 H GLU A 179 12.466 -1.630 17.815 1.00 0.00 H new ATOM 0 HA GLU A 179 11.156 -4.173 18.743 1.00 0.00 H new ATOM 0 HB2 GLU A 179 13.169 -2.498 20.298 1.00 0.00 H new ATOM 0 HB3 GLU A 179 12.625 -4.125 20.653 1.00 0.00 H new ATOM 0 HG2 GLU A 179 13.633 -4.860 18.411 1.00 0.00 H new ATOM 0 HG3 GLU A 179 14.322 -3.256 18.261 1.00 0.00 H new ATOM 895 N LYS A 180 9.961 -2.870 20.708 1.00 0.00 N ATOM 896 CA LYS A 180 8.973 -2.060 21.475 1.00 0.00 C ATOM 897 C LYS A 180 9.712 -1.046 22.351 1.00 0.00 C ATOM 898 O LYS A 180 10.787 -1.311 22.851 1.00 0.00 O ATOM 899 CB LYS A 180 8.134 -2.984 22.360 1.00 0.00 C ATOM 900 CG LYS A 180 7.199 -3.818 21.484 1.00 0.00 C ATOM 901 CD LYS A 180 6.231 -4.602 22.373 1.00 0.00 C ATOM 902 CE LYS A 180 5.350 -5.496 21.500 1.00 0.00 C ATOM 903 NZ LYS A 180 4.001 -5.622 22.121 1.00 0.00 N ATOM 0 H LYS A 180 10.063 -3.837 21.017 1.00 0.00 H new ATOM 0 HA LYS A 180 8.321 -1.531 20.781 1.00 0.00 H new ATOM 0 HB2 LYS A 180 8.784 -3.638 22.941 1.00 0.00 H new ATOM 0 HB3 LYS A 180 7.555 -2.396 23.072 1.00 0.00 H new ATOM 0 HG2 LYS A 180 6.643 -3.170 20.807 1.00 0.00 H new ATOM 0 HG3 LYS A 180 7.778 -4.504 20.866 1.00 0.00 H new ATOM 0 HD2 LYS A 180 6.787 -5.208 23.089 1.00 0.00 H new ATOM 0 HD3 LYS A 180 5.612 -3.915 22.950 1.00 0.00 H new ATOM 0 HE2 LYS A 180 5.263 -5.073 20.499 1.00 0.00 H new ATOM 0 HE3 LYS A 180 5.806 -6.480 21.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 3.401 -6.230 21.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 4.092 -6.043 23.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 3.567 -4.680 22.202 1.00 0.00 H new ATOM 917 N ALA A 181 9.144 0.114 22.540 1.00 0.00 N ATOM 918 CA ALA A 181 9.814 1.143 23.383 1.00 0.00 C ATOM 919 C ALA A 181 10.240 0.516 24.712 1.00 0.00 C ATOM 920 O ALA A 181 9.956 1.034 25.774 1.00 0.00 O ATOM 921 CB ALA A 181 8.843 2.294 23.651 1.00 0.00 C ATOM 0 H ALA A 181 8.245 0.393 22.147 1.00 0.00 H new ATOM 0 HA ALA A 181 10.693 1.523 22.862 1.00 0.00 H new ATOM 0 HB1 ALA A 181 9.333 3.047 24.268 1.00 0.00 H new ATOM 0 HB2 ALA A 181 8.539 2.742 22.705 1.00 0.00 H new ATOM 0 HB3 ALA A 181 7.964 1.915 24.172 1.00 0.00 H new