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 -152:sc= -0.648 (180deg=-2.72!) USER MOD Single : A 137 ASN : amide:sc= -1.66! C(o=-1.7!,f=-8.4!) USER MOD Single : A 145 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 153 TYR OH : rot 89:sc= 0.0597 USER MOD Single : A 155 LYS NZ :NH3+ 158:sc= -0.309 (180deg=-1.3) 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= -1.21 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= -0.931! C(o=-0.93!,f=-7.3!) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PHE A 128 1.740 -4.508 18.145 1.00 0.00 N ATOM 95 CA PHE A 128 2.009 -3.061 17.906 1.00 0.00 C ATOM 96 C PHE A 128 0.714 -2.365 17.484 1.00 0.00 C ATOM 97 O PHE A 128 0.004 -2.829 16.613 1.00 0.00 O ATOM 98 CB PHE A 128 3.055 -2.913 16.799 1.00 0.00 C ATOM 99 CG PHE A 128 4.334 -3.595 17.221 1.00 0.00 C ATOM 100 CD1 PHE A 128 5.288 -2.895 17.970 1.00 0.00 C ATOM 101 CD2 PHE A 128 4.567 -4.929 16.864 1.00 0.00 C ATOM 102 CE1 PHE A 128 6.474 -3.529 18.361 1.00 0.00 C ATOM 103 CE2 PHE A 128 5.753 -5.563 17.255 1.00 0.00 C ATOM 104 CZ PHE A 128 6.706 -4.862 18.004 1.00 0.00 C ATOM 0 HA PHE A 128 2.384 -2.604 18.822 1.00 0.00 H new ATOM 0 HB2 PHE A 128 2.685 -3.352 15.873 1.00 0.00 H new ATOM 0 HB3 PHE A 128 3.242 -1.858 16.599 1.00 0.00 H new ATOM 0 HD1 PHE A 128 5.109 -1.866 18.246 1.00 0.00 H new ATOM 0 HD2 PHE A 128 3.831 -5.469 16.287 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.210 -2.989 18.938 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.932 -6.592 16.979 1.00 0.00 H new ATOM 0 HZ PHE A 128 7.621 -5.350 18.306 1.00 0.00 H new ATOM 114 N GLU A 129 0.399 -1.255 18.094 1.00 0.00 N ATOM 115 CA GLU A 129 -0.852 -0.531 17.728 1.00 0.00 C ATOM 116 C GLU A 129 -0.599 0.978 17.775 1.00 0.00 C ATOM 117 O GLU A 129 0.181 1.460 18.572 1.00 0.00 O ATOM 118 CB GLU A 129 -1.967 -0.895 18.715 1.00 0.00 C ATOM 119 CG GLU A 129 -1.360 -1.243 20.077 1.00 0.00 C ATOM 120 CD GLU A 129 -2.441 -1.841 20.978 1.00 0.00 C ATOM 121 OE1 GLU A 129 -3.004 -2.857 20.601 1.00 0.00 O ATOM 122 OE2 GLU A 129 -2.690 -1.275 22.029 1.00 0.00 O ATOM 0 H GLU A 129 0.954 -0.818 18.830 1.00 0.00 H new ATOM 0 HA GLU A 129 -1.155 -0.819 16.721 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -2.661 -0.061 18.818 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -2.540 -1.741 18.335 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -0.542 -1.952 19.952 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -0.940 -0.350 20.539 1.00 0.00 H new ATOM 129 N PRO A 130 -1.277 1.736 16.899 1.00 0.00 N ATOM 130 CA PRO A 130 -1.127 3.195 16.839 1.00 0.00 C ATOM 131 C PRO A 130 -1.047 3.817 18.235 1.00 0.00 C ATOM 132 O PRO A 130 -1.880 3.570 19.085 1.00 0.00 O ATOM 133 CB PRO A 130 -2.399 3.659 16.130 1.00 0.00 C ATOM 134 CG PRO A 130 -3.392 2.580 16.402 1.00 0.00 C ATOM 135 CD PRO A 130 -2.610 1.299 16.445 1.00 0.00 C ATOM 0 HA PRO A 130 -0.209 3.490 16.330 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -2.741 4.619 16.516 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.233 3.786 15.060 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.908 2.754 17.346 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -4.154 2.546 15.624 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -3.054 0.579 17.132 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.566 0.821 15.467 1.00 0.00 H new ATOM 143 N GLY A 131 -0.049 4.623 18.479 1.00 0.00 N ATOM 144 CA GLY A 131 0.085 5.258 19.819 1.00 0.00 C ATOM 145 C GLY A 131 1.125 4.496 20.644 1.00 0.00 C ATOM 146 O GLY A 131 1.457 4.880 21.749 1.00 0.00 O ATOM 0 H GLY A 131 0.679 4.868 17.808 1.00 0.00 H new ATOM 0 HA2 GLY A 131 0.384 6.301 19.711 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -0.876 5.254 20.333 1.00 0.00 H new ATOM 150 N GLU A 132 1.643 3.418 20.118 1.00 0.00 N ATOM 151 CA GLU A 132 2.660 2.635 20.874 1.00 0.00 C ATOM 152 C GLU A 132 4.062 3.108 20.486 1.00 0.00 C ATOM 153 O GLU A 132 4.319 3.455 19.350 1.00 0.00 O ATOM 154 CB GLU A 132 2.512 1.150 20.539 1.00 0.00 C ATOM 155 CG GLU A 132 1.167 0.641 21.061 1.00 0.00 C ATOM 156 CD GLU A 132 1.147 0.728 22.587 1.00 0.00 C ATOM 157 OE1 GLU A 132 2.213 0.836 23.169 1.00 0.00 O ATOM 158 OE2 GLU A 132 0.065 0.686 23.149 1.00 0.00 O ATOM 0 H GLU A 132 1.405 3.047 19.198 1.00 0.00 H new ATOM 0 HA GLU A 132 2.510 2.783 21.943 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.576 1.001 19.461 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.327 0.582 20.988 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.354 1.234 20.642 1.00 0.00 H new ATOM 0 HG3 GLU A 132 1.007 -0.389 20.743 1.00 0.00 H new ATOM 165 N MET A 133 4.972 3.124 21.420 1.00 0.00 N ATOM 166 CA MET A 133 6.358 3.575 21.105 1.00 0.00 C ATOM 167 C MET A 133 7.150 2.408 20.511 1.00 0.00 C ATOM 168 O MET A 133 6.995 1.271 20.911 1.00 0.00 O ATOM 169 CB MET A 133 7.041 4.056 22.385 1.00 0.00 C ATOM 170 CG MET A 133 6.265 5.242 22.962 1.00 0.00 C ATOM 171 SD MET A 133 6.411 6.659 21.846 1.00 0.00 S ATOM 172 CE MET A 133 8.217 6.689 21.751 1.00 0.00 C ATOM 0 H MET A 133 4.816 2.844 22.388 1.00 0.00 H new ATOM 0 HA MET A 133 6.320 4.393 20.385 1.00 0.00 H new ATOM 0 HB2 MET A 133 7.084 3.246 23.114 1.00 0.00 H new ATOM 0 HB3 MET A 133 8.069 4.349 22.173 1.00 0.00 H new ATOM 0 HG2 MET A 133 5.216 4.975 23.093 1.00 0.00 H new ATOM 0 HG3 MET A 133 6.654 5.500 23.947 1.00 0.00 H new ATOM 0 HE1 MET A 133 8.554 7.707 21.554 1.00 0.00 H new ATOM 0 HE2 MET A 133 8.637 6.345 22.696 1.00 0.00 H new ATOM 0 HE3 MET A 133 8.550 6.034 20.946 1.00 0.00 H new ATOM 182 N VAL A 134 7.999 2.680 19.559 1.00 0.00 N ATOM 183 CA VAL A 134 8.800 1.587 18.941 1.00 0.00 C ATOM 184 C VAL A 134 10.281 1.973 18.955 1.00 0.00 C ATOM 185 O VAL A 134 10.649 3.043 19.398 1.00 0.00 O ATOM 186 CB VAL A 134 8.344 1.370 17.497 1.00 0.00 C ATOM 187 CG1 VAL A 134 8.768 -0.022 17.028 1.00 0.00 C ATOM 188 CG2 VAL A 134 6.820 1.492 17.418 1.00 0.00 C ATOM 0 H VAL A 134 8.173 3.612 19.182 1.00 0.00 H new ATOM 0 HA VAL A 134 8.656 0.667 19.508 1.00 0.00 H new ATOM 0 HB VAL A 134 8.803 2.123 16.857 1.00 0.00 H new ATOM 0 HG11 VAL A 134 8.442 -0.174 15.999 1.00 0.00 H new ATOM 0 HG12 VAL A 134 9.853 -0.109 17.081 1.00 0.00 H new ATOM 0 HG13 VAL A 134 8.311 -0.777 17.669 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.495 1.337 16.389 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.361 0.740 18.060 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.517 2.485 17.749 1.00 0.00 H new ATOM 198 N ARG A 135 11.132 1.109 18.473 1.00 0.00 N ATOM 199 CA ARG A 135 12.588 1.427 18.460 1.00 0.00 C ATOM 200 C ARG A 135 13.213 0.894 17.170 1.00 0.00 C ATOM 201 O ARG A 135 12.819 -0.134 16.655 1.00 0.00 O ATOM 202 CB ARG A 135 13.263 0.768 19.665 1.00 0.00 C ATOM 203 CG ARG A 135 14.729 1.199 19.727 1.00 0.00 C ATOM 204 CD ARG A 135 15.450 0.403 20.817 1.00 0.00 C ATOM 205 NE ARG A 135 16.818 0.958 21.016 1.00 0.00 N ATOM 206 CZ ARG A 135 17.079 1.691 22.064 1.00 0.00 C ATOM 207 NH1 ARG A 135 16.985 1.177 23.259 1.00 0.00 N ATOM 208 NH2 ARG A 135 17.434 2.938 21.915 1.00 0.00 N ATOM 0 H ARG A 135 10.883 0.198 18.088 1.00 0.00 H new ATOM 0 HA ARG A 135 12.726 2.507 18.512 1.00 0.00 H new ATOM 0 HB2 ARG A 135 12.750 1.053 20.584 1.00 0.00 H new ATOM 0 HB3 ARG A 135 13.195 -0.317 19.585 1.00 0.00 H new ATOM 0 HG2 ARG A 135 15.209 1.032 18.763 1.00 0.00 H new ATOM 0 HG3 ARG A 135 14.797 2.267 19.937 1.00 0.00 H new ATOM 0 HD2 ARG A 135 14.887 0.451 21.749 1.00 0.00 H new ATOM 0 HD3 ARG A 135 15.510 -0.648 20.535 1.00 0.00 H new ATOM 0 HE ARG A 135 17.551 0.765 20.333 1.00 0.00 H new ATOM 0 HH11 ARG A 135 16.708 0.202 23.375 1.00 0.00 H new ATOM 0 HH12 ARG A 135 17.189 1.750 24.078 1.00 0.00 H new ATOM 0 HH21 ARG A 135 17.507 3.339 20.980 1.00 0.00 H new ATOM 0 HH22 ARG A 135 17.638 3.511 22.733 1.00 0.00 H new ATOM 222 N VAL A 136 14.187 1.585 16.643 1.00 0.00 N ATOM 223 CA VAL A 136 14.836 1.117 15.387 1.00 0.00 C ATOM 224 C VAL A 136 16.277 0.696 15.683 1.00 0.00 C ATOM 225 O VAL A 136 17.001 1.376 16.381 1.00 0.00 O ATOM 226 CB VAL A 136 14.837 2.252 14.359 1.00 0.00 C ATOM 227 CG1 VAL A 136 15.411 1.743 13.037 1.00 0.00 C ATOM 228 CG2 VAL A 136 13.404 2.741 14.139 1.00 0.00 C ATOM 0 H VAL A 136 14.561 2.453 17.028 1.00 0.00 H new ATOM 0 HA VAL A 136 14.284 0.266 14.988 1.00 0.00 H new ATOM 0 HB VAL A 136 15.450 3.075 14.727 1.00 0.00 H new ATOM 0 HG11 VAL A 136 15.412 2.551 12.305 1.00 0.00 H new ATOM 0 HG12 VAL A 136 16.432 1.395 13.194 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.799 0.920 12.668 1.00 0.00 H new ATOM 0 HG21 VAL A 136 13.404 3.549 13.407 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.791 1.918 13.771 1.00 0.00 H new ATOM 0 HG23 VAL A 136 12.995 3.105 15.082 1.00 0.00 H new ATOM 238 N ASN A 137 16.697 -0.423 15.159 1.00 0.00 N ATOM 239 CA ASN A 137 18.091 -0.887 15.411 1.00 0.00 C ATOM 240 C ASN A 137 18.782 -1.169 14.076 1.00 0.00 C ATOM 241 O ASN A 137 19.858 -1.733 14.030 1.00 0.00 O ATOM 242 CB ASN A 137 18.059 -2.168 16.249 1.00 0.00 C ATOM 243 CG ASN A 137 17.258 -3.241 15.511 1.00 0.00 C ATOM 244 OD1 ASN A 137 17.213 -3.256 14.297 1.00 0.00 O ATOM 245 ND2 ASN A 137 16.617 -4.148 16.198 1.00 0.00 N ATOM 0 H ASN A 137 16.136 -1.036 14.568 1.00 0.00 H new ATOM 0 HA ASN A 137 18.640 -0.114 15.949 1.00 0.00 H new ATOM 0 HB2 ASN A 137 19.074 -2.520 16.434 1.00 0.00 H new ATOM 0 HB3 ASN A 137 17.609 -1.968 17.221 1.00 0.00 H new ATOM 0 HD21 ASN A 137 16.079 -4.868 15.715 1.00 0.00 H new ATOM 0 HD22 ASN A 137 16.654 -4.136 17.217 1.00 0.00 H new ATOM 252 N ASP A 138 18.175 -0.781 12.989 1.00 0.00 N ATOM 253 CA ASP A 138 18.798 -1.027 11.658 1.00 0.00 C ATOM 254 C ASP A 138 18.363 0.065 10.680 1.00 0.00 C ATOM 255 O ASP A 138 17.362 0.726 10.878 1.00 0.00 O ATOM 256 CB ASP A 138 18.351 -2.392 11.130 1.00 0.00 C ATOM 257 CG ASP A 138 19.198 -2.770 9.913 1.00 0.00 C ATOM 258 OD1 ASP A 138 20.135 -2.046 9.621 1.00 0.00 O ATOM 259 OD2 ASP A 138 18.893 -3.777 9.294 1.00 0.00 O ATOM 0 H ASP A 138 17.274 -0.304 12.965 1.00 0.00 H new ATOM 0 HA ASP A 138 19.883 -1.013 11.758 1.00 0.00 H new ATOM 0 HB2 ASP A 138 18.456 -3.147 11.909 1.00 0.00 H new ATOM 0 HB3 ASP A 138 17.296 -2.361 10.857 1.00 0.00 H new ATOM 264 N GLY A 139 19.106 0.262 9.626 1.00 0.00 N ATOM 265 CA GLY A 139 18.734 1.313 8.636 1.00 0.00 C ATOM 266 C GLY A 139 19.121 2.687 9.185 1.00 0.00 C ATOM 267 O GLY A 139 19.398 2.842 10.358 1.00 0.00 O ATOM 0 H GLY A 139 19.955 -0.259 9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.241 1.132 7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 139 17.663 1.277 8.436 1.00 0.00 H new ATOM 271 N PRO A 140 19.138 3.705 8.312 1.00 0.00 N ATOM 272 CA PRO A 140 19.491 5.075 8.702 1.00 0.00 C ATOM 273 C PRO A 140 18.699 5.537 9.929 1.00 0.00 C ATOM 274 O PRO A 140 19.104 6.437 10.639 1.00 0.00 O ATOM 275 CB PRO A 140 19.099 5.909 7.483 1.00 0.00 C ATOM 276 CG PRO A 140 18.040 5.107 6.805 1.00 0.00 C ATOM 277 CD PRO A 140 18.387 3.665 7.045 1.00 0.00 C ATOM 0 HA PRO A 140 20.543 5.164 8.974 1.00 0.00 H new ATOM 0 HB2 PRO A 140 18.726 6.890 7.777 1.00 0.00 H new ATOM 0 HB3 PRO A 140 19.952 6.076 6.826 1.00 0.00 H new ATOM 0 HG2 PRO A 140 17.055 5.343 7.208 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.008 5.327 5.738 1.00 0.00 H new ATOM 0 HD2 PRO A 140 17.495 3.044 7.125 1.00 0.00 H new ATOM 0 HD3 PRO A 140 18.988 3.255 6.233 1.00 0.00 H new ATOM 285 N PHE A 141 17.573 4.928 10.185 1.00 0.00 N ATOM 286 CA PHE A 141 16.759 5.332 11.364 1.00 0.00 C ATOM 287 C PHE A 141 17.208 4.535 12.592 1.00 0.00 C ATOM 288 O PHE A 141 16.548 4.523 13.612 1.00 0.00 O ATOM 289 CB PHE A 141 15.281 5.048 11.085 1.00 0.00 C ATOM 290 CG PHE A 141 14.832 5.845 9.884 1.00 0.00 C ATOM 291 CD1 PHE A 141 14.383 7.161 10.045 1.00 0.00 C ATOM 292 CD2 PHE A 141 14.864 5.268 8.609 1.00 0.00 C ATOM 293 CE1 PHE A 141 13.968 7.900 8.930 1.00 0.00 C ATOM 294 CE2 PHE A 141 14.448 6.007 7.495 1.00 0.00 C ATOM 295 CZ PHE A 141 14.000 7.323 7.656 1.00 0.00 C ATOM 0 H PHE A 141 17.183 4.168 9.628 1.00 0.00 H new ATOM 0 HA PHE A 141 16.896 6.397 11.552 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.132 3.983 10.904 1.00 0.00 H new ATOM 0 HB3 PHE A 141 14.679 5.311 11.955 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.357 7.606 11.029 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.210 4.252 8.485 1.00 0.00 H new ATOM 0 HE1 PHE A 141 13.623 8.916 9.054 1.00 0.00 H new ATOM 0 HE2 PHE A 141 14.473 5.561 6.511 1.00 0.00 H new ATOM 0 HZ PHE A 141 13.679 7.893 6.797 1.00 0.00 H new ATOM 305 N ALA A 142 18.326 3.868 12.499 1.00 0.00 N ATOM 306 CA ALA A 142 18.817 3.071 13.659 1.00 0.00 C ATOM 307 C ALA A 142 19.105 4.005 14.836 1.00 0.00 C ATOM 308 O ALA A 142 19.471 5.150 14.657 1.00 0.00 O ATOM 309 CB ALA A 142 20.101 2.337 13.267 1.00 0.00 C ATOM 0 H ALA A 142 18.920 3.840 11.670 1.00 0.00 H new ATOM 0 HA ALA A 142 18.056 2.346 13.948 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.460 1.754 14.115 1.00 0.00 H new ATOM 0 HB2 ALA A 142 19.898 1.671 12.429 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.861 3.063 12.978 1.00 0.00 H new ATOM 315 N ASP A 143 18.942 3.526 16.040 1.00 0.00 N ATOM 316 CA ASP A 143 19.207 4.387 17.227 1.00 0.00 C ATOM 317 C ASP A 143 18.231 5.564 17.231 1.00 0.00 C ATOM 318 O ASP A 143 18.610 6.697 17.451 1.00 0.00 O ATOM 319 CB ASP A 143 20.642 4.915 17.164 1.00 0.00 C ATOM 320 CG ASP A 143 21.614 3.739 17.054 1.00 0.00 C ATOM 321 OD1 ASP A 143 21.222 2.637 17.401 1.00 0.00 O ATOM 322 OD2 ASP A 143 22.735 3.962 16.625 1.00 0.00 O ATOM 0 H ASP A 143 18.637 2.576 16.252 1.00 0.00 H new ATOM 0 HA ASP A 143 19.075 3.802 18.137 1.00 0.00 H new ATOM 0 HB2 ASP A 143 20.759 5.579 16.307 1.00 0.00 H new ATOM 0 HB3 ASP A 143 20.864 5.502 18.055 1.00 0.00 H new ATOM 327 N PHE A 144 16.975 5.307 16.987 1.00 0.00 N ATOM 328 CA PHE A 144 15.977 6.412 16.978 1.00 0.00 C ATOM 329 C PHE A 144 14.631 5.888 17.484 1.00 0.00 C ATOM 330 O PHE A 144 14.106 4.914 16.984 1.00 0.00 O ATOM 331 CB PHE A 144 15.814 6.939 15.551 1.00 0.00 C ATOM 332 CG PHE A 144 16.983 7.832 15.207 1.00 0.00 C ATOM 333 CD1 PHE A 144 17.063 9.121 15.748 1.00 0.00 C ATOM 334 CD2 PHE A 144 17.986 7.371 14.347 1.00 0.00 C ATOM 335 CE1 PHE A 144 18.146 9.949 15.429 1.00 0.00 C ATOM 336 CE2 PHE A 144 19.069 8.200 14.027 1.00 0.00 C ATOM 337 CZ PHE A 144 19.150 9.488 14.568 1.00 0.00 C ATOM 0 H PHE A 144 16.598 4.379 16.794 1.00 0.00 H new ATOM 0 HA PHE A 144 16.321 7.218 17.627 1.00 0.00 H new ATOM 0 HB2 PHE A 144 15.759 6.107 14.849 1.00 0.00 H new ATOM 0 HB3 PHE A 144 14.880 7.494 15.461 1.00 0.00 H new ATOM 0 HD1 PHE A 144 16.289 9.477 16.412 1.00 0.00 H new ATOM 0 HD2 PHE A 144 17.925 6.377 13.930 1.00 0.00 H new ATOM 0 HE1 PHE A 144 18.207 10.943 15.847 1.00 0.00 H new ATOM 0 HE2 PHE A 144 19.842 7.845 13.362 1.00 0.00 H new ATOM 0 HZ PHE A 144 19.986 10.126 14.322 1.00 0.00 H new ATOM 347 N ASN A 145 14.069 6.526 18.475 1.00 0.00 N ATOM 348 CA ASN A 145 12.760 6.063 19.012 1.00 0.00 C ATOM 349 C ASN A 145 11.622 6.726 18.233 1.00 0.00 C ATOM 350 O ASN A 145 11.724 7.864 17.818 1.00 0.00 O ATOM 351 CB ASN A 145 12.654 6.439 20.491 1.00 0.00 C ATOM 352 CG ASN A 145 13.818 5.813 21.261 1.00 0.00 C ATOM 353 OD1 ASN A 145 14.377 4.821 20.837 1.00 0.00 O ATOM 354 ND2 ASN A 145 14.210 6.353 22.382 1.00 0.00 N ATOM 0 H ASN A 145 14.461 7.348 18.935 1.00 0.00 H new ATOM 0 HA ASN A 145 12.688 4.981 18.906 1.00 0.00 H new ATOM 0 HB2 ASN A 145 12.671 7.523 20.604 1.00 0.00 H new ATOM 0 HB3 ASN A 145 11.705 6.091 20.899 1.00 0.00 H new ATOM 0 HD21 ASN A 145 14.985 5.942 22.902 1.00 0.00 H new ATOM 0 HD22 ASN A 145 13.741 7.186 22.738 1.00 0.00 H new ATOM 361 N GLY A 146 10.540 6.025 18.034 1.00 0.00 N ATOM 362 CA GLY A 146 9.398 6.617 17.282 1.00 0.00 C ATOM 363 C GLY A 146 8.107 5.886 17.658 1.00 0.00 C ATOM 364 O GLY A 146 8.117 4.942 18.423 1.00 0.00 O ATOM 0 H GLY A 146 10.397 5.069 18.359 1.00 0.00 H new ATOM 0 HA2 GLY A 146 9.308 7.679 17.512 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.575 6.538 16.209 1.00 0.00 H new ATOM 368 N VAL A 147 6.994 6.315 17.129 1.00 0.00 N ATOM 369 CA VAL A 147 5.704 5.644 17.457 1.00 0.00 C ATOM 370 C VAL A 147 5.137 4.989 16.196 1.00 0.00 C ATOM 371 O VAL A 147 5.452 5.377 15.089 1.00 0.00 O ATOM 372 CB VAL A 147 4.711 6.680 17.987 1.00 0.00 C ATOM 373 CG1 VAL A 147 3.456 5.970 18.499 1.00 0.00 C ATOM 374 CG2 VAL A 147 5.355 7.465 19.131 1.00 0.00 C ATOM 0 H VAL A 147 6.922 7.102 16.484 1.00 0.00 H new ATOM 0 HA VAL A 147 5.872 4.882 18.218 1.00 0.00 H new ATOM 0 HB VAL A 147 4.438 7.365 17.184 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.749 6.708 18.877 1.00 0.00 H new ATOM 0 HG12 VAL A 147 2.996 5.411 17.684 1.00 0.00 H new ATOM 0 HG13 VAL A 147 3.728 5.284 19.302 1.00 0.00 H new ATOM 0 HG21 VAL A 147 4.648 8.203 19.509 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.628 6.780 19.934 1.00 0.00 H new ATOM 0 HG23 VAL A 147 6.249 7.972 18.767 1.00 0.00 H new ATOM 384 N VAL A 148 4.303 3.998 16.354 1.00 0.00 N ATOM 385 CA VAL A 148 3.719 3.322 15.161 1.00 0.00 C ATOM 386 C VAL A 148 2.524 4.130 14.650 1.00 0.00 C ATOM 387 O VAL A 148 1.453 4.101 15.224 1.00 0.00 O ATOM 388 CB VAL A 148 3.256 1.915 15.546 1.00 0.00 C ATOM 389 CG1 VAL A 148 2.401 1.333 14.418 1.00 0.00 C ATOM 390 CG2 VAL A 148 4.476 1.021 15.774 1.00 0.00 C ATOM 0 H VAL A 148 4.001 3.628 17.255 1.00 0.00 H new ATOM 0 HA VAL A 148 4.474 3.254 14.377 1.00 0.00 H new ATOM 0 HB VAL A 148 2.666 1.965 16.461 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.071 0.331 14.692 1.00 0.00 H new ATOM 0 HG12 VAL A 148 1.531 1.970 14.255 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.991 1.283 13.503 1.00 0.00 H new ATOM 0 HG21 VAL A 148 4.147 0.019 16.048 1.00 0.00 H new ATOM 0 HG22 VAL A 148 5.067 0.971 14.859 1.00 0.00 H new ATOM 0 HG23 VAL A 148 5.085 1.435 16.577 1.00 0.00 H new ATOM 400 N GLU A 149 2.697 4.848 13.575 1.00 0.00 N ATOM 401 CA GLU A 149 1.569 5.654 13.030 1.00 0.00 C ATOM 402 C GLU A 149 0.509 4.715 12.448 1.00 0.00 C ATOM 403 O GLU A 149 -0.676 4.974 12.532 1.00 0.00 O ATOM 404 CB GLU A 149 2.090 6.580 11.929 1.00 0.00 C ATOM 405 CG GLU A 149 3.055 7.601 12.536 1.00 0.00 C ATOM 406 CD GLU A 149 3.521 8.571 11.448 1.00 0.00 C ATOM 407 OE1 GLU A 149 3.221 8.323 10.292 1.00 0.00 O ATOM 408 OE2 GLU A 149 4.170 9.546 11.790 1.00 0.00 O ATOM 0 H GLU A 149 3.570 4.911 13.051 1.00 0.00 H new ATOM 0 HA GLU A 149 1.128 6.251 13.828 1.00 0.00 H new ATOM 0 HB2 GLU A 149 2.596 5.998 11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 149 1.258 7.092 11.446 1.00 0.00 H new ATOM 0 HG2 GLU A 149 2.564 8.149 13.340 1.00 0.00 H new ATOM 0 HG3 GLU A 149 3.912 7.091 12.975 1.00 0.00 H new ATOM 415 N GLU A 150 0.925 3.627 11.863 1.00 0.00 N ATOM 416 CA GLU A 150 -0.057 2.670 11.278 1.00 0.00 C ATOM 417 C GLU A 150 0.542 1.262 11.280 1.00 0.00 C ATOM 418 O GLU A 150 1.732 1.085 11.451 1.00 0.00 O ATOM 419 CB GLU A 150 -0.382 3.083 9.841 1.00 0.00 C ATOM 420 CG GLU A 150 -1.000 4.483 9.838 1.00 0.00 C ATOM 421 CD GLU A 150 -2.320 4.460 10.611 1.00 0.00 C ATOM 422 OE1 GLU A 150 -2.836 3.376 10.832 1.00 0.00 O ATOM 423 OE2 GLU A 150 -2.792 5.526 10.970 1.00 0.00 O ATOM 0 H GLU A 150 1.904 3.358 11.764 1.00 0.00 H new ATOM 0 HA GLU A 150 -0.970 2.679 11.873 1.00 0.00 H new ATOM 0 HB2 GLU A 150 0.524 3.073 9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -1.073 2.368 9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -0.313 5.196 10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -1.172 4.814 8.814 1.00 0.00 H new ATOM 430 N VAL A 151 -0.271 0.260 11.090 1.00 0.00 N ATOM 431 CA VAL A 151 0.256 -1.134 11.079 1.00 0.00 C ATOM 432 C VAL A 151 -0.224 -1.849 9.816 1.00 0.00 C ATOM 433 O VAL A 151 -1.332 -1.647 9.359 1.00 0.00 O ATOM 434 CB VAL A 151 -0.254 -1.882 12.314 1.00 0.00 C ATOM 435 CG1 VAL A 151 0.354 -3.285 12.346 1.00 0.00 C ATOM 436 CG2 VAL A 151 0.154 -1.119 13.576 1.00 0.00 C ATOM 0 H VAL A 151 -1.277 0.346 10.942 1.00 0.00 H new ATOM 0 HA VAL A 151 1.346 -1.111 11.092 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.341 -1.958 12.271 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.008 -3.819 13.225 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.064 -3.828 11.447 1.00 0.00 H new ATOM 0 HG13 VAL A 151 1.441 -3.210 12.390 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.209 -1.651 14.456 1.00 0.00 H new ATOM 0 HG22 VAL A 151 1.240 -1.043 13.620 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -0.279 -0.119 13.552 1.00 0.00 H new ATOM 446 N ASP A 152 0.600 -2.685 9.246 1.00 0.00 N ATOM 447 CA ASP A 152 0.189 -3.411 8.012 1.00 0.00 C ATOM 448 C ASP A 152 0.347 -4.918 8.228 1.00 0.00 C ATOM 449 O ASP A 152 1.297 -5.523 7.775 1.00 0.00 O ATOM 450 CB ASP A 152 1.070 -2.969 6.843 1.00 0.00 C ATOM 451 CG ASP A 152 0.773 -1.508 6.502 1.00 0.00 C ATOM 452 OD1 ASP A 152 -0.227 -1.000 6.983 1.00 0.00 O ATOM 453 OD2 ASP A 152 1.549 -0.921 5.765 1.00 0.00 O ATOM 0 H ASP A 152 1.540 -2.896 9.582 1.00 0.00 H new ATOM 0 HA ASP A 152 -0.853 -3.184 7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 152 2.122 -3.086 7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 152 0.884 -3.601 5.975 1.00 0.00 H new ATOM 458 N TYR A 153 -0.577 -5.528 8.918 1.00 0.00 N ATOM 459 CA TYR A 153 -0.478 -6.994 9.162 1.00 0.00 C ATOM 460 C TYR A 153 -0.464 -7.732 7.822 1.00 0.00 C ATOM 461 O TYR A 153 0.291 -8.663 7.623 1.00 0.00 O ATOM 462 CB TYR A 153 -1.680 -7.457 9.988 1.00 0.00 C ATOM 463 CG TYR A 153 -1.616 -6.831 11.360 1.00 0.00 C ATOM 464 CD1 TYR A 153 -0.758 -7.360 12.331 1.00 0.00 C ATOM 465 CD2 TYR A 153 -2.415 -5.722 11.661 1.00 0.00 C ATOM 466 CE1 TYR A 153 -0.698 -6.779 13.603 1.00 0.00 C ATOM 467 CE2 TYR A 153 -2.355 -5.141 12.933 1.00 0.00 C ATOM 468 CZ TYR A 153 -1.497 -5.670 13.905 1.00 0.00 C ATOM 469 OH TYR A 153 -1.437 -5.096 15.158 1.00 0.00 O ATOM 0 H TYR A 153 -1.396 -5.075 9.323 1.00 0.00 H new ATOM 0 HA TYR A 153 0.441 -7.211 9.707 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -2.608 -7.175 9.490 1.00 0.00 H new ATOM 0 HB3 TYR A 153 -1.681 -8.544 10.072 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -0.142 -8.216 12.099 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -3.078 -5.315 10.912 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -0.035 -7.187 14.352 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -2.971 -4.284 13.165 1.00 0.00 H new ATOM 0 HH TYR A 153 -0.740 -4.407 15.169 1.00 0.00 H new ATOM 479 N GLU A 154 -1.292 -7.323 6.900 1.00 0.00 N ATOM 480 CA GLU A 154 -1.324 -7.999 5.574 1.00 0.00 C ATOM 481 C GLU A 154 0.083 -8.004 4.973 1.00 0.00 C ATOM 482 O GLU A 154 0.547 -9.003 4.460 1.00 0.00 O ATOM 483 CB GLU A 154 -2.275 -7.248 4.639 1.00 0.00 C ATOM 484 CG GLU A 154 -3.700 -7.328 5.191 1.00 0.00 C ATOM 485 CD GLU A 154 -4.667 -6.677 4.201 1.00 0.00 C ATOM 486 OE1 GLU A 154 -4.195 -6.079 3.248 1.00 0.00 O ATOM 487 OE2 GLU A 154 -5.864 -6.789 4.410 1.00 0.00 O ATOM 0 H GLU A 154 -1.948 -6.549 7.009 1.00 0.00 H new ATOM 0 HA GLU A 154 -1.672 -9.024 5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -1.966 -6.207 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -2.236 -7.680 3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -3.979 -8.368 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -3.757 -6.824 6.156 1.00 0.00 H new ATOM 494 N LYS A 155 0.766 -6.894 5.033 1.00 0.00 N ATOM 495 CA LYS A 155 2.143 -6.834 4.467 1.00 0.00 C ATOM 496 C LYS A 155 3.150 -7.306 5.520 1.00 0.00 C ATOM 497 O LYS A 155 4.335 -7.392 5.264 1.00 0.00 O ATOM 498 CB LYS A 155 2.467 -5.395 4.062 1.00 0.00 C ATOM 499 CG LYS A 155 1.507 -4.948 2.957 1.00 0.00 C ATOM 500 CD LYS A 155 1.889 -3.543 2.486 1.00 0.00 C ATOM 501 CE LYS A 155 0.873 -3.058 1.451 1.00 0.00 C ATOM 502 NZ LYS A 155 -0.504 -3.394 1.911 1.00 0.00 N ATOM 0 H LYS A 155 0.430 -6.026 5.450 1.00 0.00 H new ATOM 0 HA LYS A 155 2.203 -7.480 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 155 2.379 -4.734 4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 155 3.497 -5.327 3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.547 -5.647 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 155 0.482 -4.953 3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 155 1.915 -2.858 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 155 2.889 -3.553 2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 155 0.968 -1.981 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 155 1.070 -3.525 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -1.190 -2.771 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -0.717 -4.384 1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -0.568 -3.262 2.941 1.00 0.00 H new ATOM 516 N SER A 156 2.690 -7.612 6.703 1.00 0.00 N ATOM 517 CA SER A 156 3.623 -8.076 7.768 1.00 0.00 C ATOM 518 C SER A 156 4.724 -7.032 7.968 1.00 0.00 C ATOM 519 O SER A 156 5.899 -7.336 7.911 1.00 0.00 O ATOM 520 CB SER A 156 4.253 -9.406 7.350 1.00 0.00 C ATOM 521 OG SER A 156 3.308 -10.452 7.527 1.00 0.00 O ATOM 0 H SER A 156 1.709 -7.561 6.977 1.00 0.00 H new ATOM 0 HA SER A 156 3.074 -8.211 8.700 1.00 0.00 H new ATOM 0 HB2 SER A 156 4.570 -9.359 6.308 1.00 0.00 H new ATOM 0 HB3 SER A 156 5.145 -9.602 7.946 1.00 0.00 H new ATOM 0 HG SER A 156 3.709 -11.305 7.258 1.00 0.00 H new ATOM 527 N ARG A 157 4.353 -5.803 8.203 1.00 0.00 N ATOM 528 CA ARG A 157 5.379 -4.742 8.405 1.00 0.00 C ATOM 529 C ARG A 157 4.846 -3.695 9.384 1.00 0.00 C ATOM 530 O ARG A 157 3.660 -3.612 9.637 1.00 0.00 O ATOM 531 CB ARG A 157 5.694 -4.075 7.065 1.00 0.00 C ATOM 532 CG ARG A 157 6.364 -5.089 6.136 1.00 0.00 C ATOM 533 CD ARG A 157 7.212 -4.348 5.099 1.00 0.00 C ATOM 534 NE ARG A 157 7.692 -5.314 4.070 1.00 0.00 N ATOM 535 CZ ARG A 157 8.602 -4.951 3.209 1.00 0.00 C ATOM 536 NH1 ARG A 157 8.382 -3.941 2.412 1.00 0.00 N ATOM 537 NH2 ARG A 157 9.734 -5.596 3.145 1.00 0.00 N ATOM 0 H ARG A 157 3.385 -5.488 8.264 1.00 0.00 H new ATOM 0 HA ARG A 157 6.287 -5.188 8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 157 4.778 -3.698 6.610 1.00 0.00 H new ATOM 0 HB3 ARG A 157 6.349 -3.218 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 157 6.989 -5.770 6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 157 5.608 -5.696 5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 157 6.624 -3.560 4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 157 8.060 -3.865 5.584 1.00 0.00 H new ATOM 0 HE ARG A 157 7.309 -6.259 4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 157 7.498 -3.435 2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 157 9.094 -3.658 1.739 1.00 0.00 H new ATOM 0 HH21 ARG A 157 9.908 -6.384 3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 157 10.445 -5.312 2.472 1.00 0.00 H new ATOM 551 N LEU A 158 5.715 -2.895 9.937 1.00 0.00 N ATOM 552 CA LEU A 158 5.264 -1.853 10.902 1.00 0.00 C ATOM 553 C LEU A 158 5.512 -0.466 10.306 1.00 0.00 C ATOM 554 O LEU A 158 6.530 -0.216 9.692 1.00 0.00 O ATOM 555 CB LEU A 158 6.052 -1.994 12.205 1.00 0.00 C ATOM 556 CG LEU A 158 5.472 -3.137 13.035 1.00 0.00 C ATOM 557 CD1 LEU A 158 6.014 -4.467 12.512 1.00 0.00 C ATOM 558 CD2 LEU A 158 5.879 -2.964 14.500 1.00 0.00 C ATOM 0 H LEU A 158 6.720 -2.918 9.762 1.00 0.00 H new ATOM 0 HA LEU A 158 4.200 -1.978 11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 158 7.103 -2.186 11.987 1.00 0.00 H new ATOM 0 HB3 LEU A 158 6.009 -1.063 12.770 1.00 0.00 H new ATOM 0 HG LEU A 158 4.385 -3.128 12.957 1.00 0.00 H new ATOM 0 HD11 LEU A 158 5.602 -5.285 13.102 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.726 -4.592 11.468 1.00 0.00 H new ATOM 0 HD13 LEU A 158 7.101 -4.474 12.592 1.00 0.00 H new ATOM 0 HD21 LEU A 158 5.465 -3.780 15.092 1.00 0.00 H new ATOM 0 HD22 LEU A 158 6.966 -2.974 14.579 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.497 -2.014 14.874 1.00 0.00 H new ATOM 570 N LYS A 159 4.590 0.441 10.483 1.00 0.00 N ATOM 571 CA LYS A 159 4.777 1.811 9.928 1.00 0.00 C ATOM 572 C LYS A 159 5.137 2.772 11.063 1.00 0.00 C ATOM 573 O LYS A 159 4.286 3.222 11.803 1.00 0.00 O ATOM 574 CB LYS A 159 3.483 2.276 9.259 1.00 0.00 C ATOM 575 CG LYS A 159 3.732 3.602 8.540 1.00 0.00 C ATOM 576 CD LYS A 159 2.400 4.177 8.054 1.00 0.00 C ATOM 577 CE LYS A 159 2.661 5.436 7.224 1.00 0.00 C ATOM 578 NZ LYS A 159 1.633 5.546 6.150 1.00 0.00 N ATOM 0 H LYS A 159 3.716 0.292 10.988 1.00 0.00 H new ATOM 0 HA LYS A 159 5.580 1.797 9.191 1.00 0.00 H new ATOM 0 HB2 LYS A 159 3.137 1.524 8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 159 2.697 2.396 10.005 1.00 0.00 H new ATOM 0 HG2 LYS A 159 4.221 4.307 9.213 1.00 0.00 H new ATOM 0 HG3 LYS A 159 4.404 3.449 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 159 1.869 3.437 7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 159 1.762 4.415 8.905 1.00 0.00 H new ATOM 0 HE2 LYS A 159 2.630 6.318 7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 159 3.658 5.395 6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 1.810 6.402 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 1.683 4.709 5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 0.687 5.604 6.579 1.00 0.00 H new ATOM 592 N VAL A 160 6.396 3.087 11.209 1.00 0.00 N ATOM 593 CA VAL A 160 6.809 4.016 12.297 1.00 0.00 C ATOM 594 C VAL A 160 7.482 5.248 11.690 1.00 0.00 C ATOM 595 O VAL A 160 8.120 5.174 10.659 1.00 0.00 O ATOM 596 CB VAL A 160 7.795 3.304 13.227 1.00 0.00 C ATOM 597 CG1 VAL A 160 8.125 4.212 14.413 1.00 0.00 C ATOM 598 CG2 VAL A 160 7.167 2.006 13.738 1.00 0.00 C ATOM 0 H VAL A 160 7.155 2.741 10.622 1.00 0.00 H new ATOM 0 HA VAL A 160 5.930 4.325 12.863 1.00 0.00 H new ATOM 0 HB VAL A 160 8.709 3.075 12.680 1.00 0.00 H new ATOM 0 HG11 VAL A 160 8.827 3.705 15.075 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.572 5.137 14.050 1.00 0.00 H new ATOM 0 HG13 VAL A 160 7.211 4.442 14.961 1.00 0.00 H new ATOM 0 HG21 VAL A 160 7.868 1.498 14.400 1.00 0.00 H new ATOM 0 HG22 VAL A 160 6.252 2.235 14.285 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.932 1.358 12.893 1.00 0.00 H new ATOM 608 N SER A 161 7.347 6.382 12.323 1.00 0.00 N ATOM 609 CA SER A 161 7.980 7.617 11.783 1.00 0.00 C ATOM 610 C SER A 161 9.004 8.143 12.790 1.00 0.00 C ATOM 611 O SER A 161 8.772 8.143 13.982 1.00 0.00 O ATOM 612 CB SER A 161 6.905 8.680 11.545 1.00 0.00 C ATOM 613 OG SER A 161 7.484 9.799 10.889 1.00 0.00 O ATOM 0 H SER A 161 6.825 6.505 13.191 1.00 0.00 H new ATOM 0 HA SER A 161 8.479 7.389 10.841 1.00 0.00 H new ATOM 0 HB2 SER A 161 6.098 8.267 10.940 1.00 0.00 H new ATOM 0 HB3 SER A 161 6.466 8.988 12.494 1.00 0.00 H new ATOM 0 HG SER A 161 6.780 10.324 10.455 1.00 0.00 H new ATOM 619 N VAL A 162 10.138 8.590 12.322 1.00 0.00 N ATOM 620 CA VAL A 162 11.174 9.113 13.255 1.00 0.00 C ATOM 621 C VAL A 162 11.248 10.636 13.142 1.00 0.00 C ATOM 622 O VAL A 162 11.292 11.185 12.059 1.00 0.00 O ATOM 623 CB VAL A 162 12.535 8.512 12.898 1.00 0.00 C ATOM 624 CG1 VAL A 162 13.509 8.735 14.056 1.00 0.00 C ATOM 625 CG2 VAL A 162 12.380 7.012 12.642 1.00 0.00 C ATOM 0 H VAL A 162 10.391 8.615 11.334 1.00 0.00 H new ATOM 0 HA VAL A 162 10.909 8.837 14.276 1.00 0.00 H new ATOM 0 HB VAL A 162 12.921 8.994 12.000 1.00 0.00 H new ATOM 0 HG11 VAL A 162 14.479 8.307 13.803 1.00 0.00 H new ATOM 0 HG12 VAL A 162 13.620 9.804 14.237 1.00 0.00 H new ATOM 0 HG13 VAL A 162 13.123 8.253 14.954 1.00 0.00 H new ATOM 0 HG21 VAL A 162 13.350 6.584 12.388 1.00 0.00 H new ATOM 0 HG22 VAL A 162 11.994 6.528 13.539 1.00 0.00 H new ATOM 0 HG23 VAL A 162 11.686 6.854 11.817 1.00 0.00 H new ATOM 635 N SER A 163 11.265 11.322 14.251 1.00 0.00 N ATOM 636 CA SER A 163 11.340 12.809 14.205 1.00 0.00 C ATOM 637 C SER A 163 12.799 13.237 14.034 1.00 0.00 C ATOM 638 O SER A 163 13.471 13.580 14.988 1.00 0.00 O ATOM 639 CB SER A 163 10.786 13.388 15.508 1.00 0.00 C ATOM 640 OG SER A 163 10.839 14.806 15.456 1.00 0.00 O ATOM 0 H SER A 163 11.230 10.917 15.187 1.00 0.00 H new ATOM 0 HA SER A 163 10.751 13.179 13.366 1.00 0.00 H new ATOM 0 HB2 SER A 163 9.758 13.057 15.658 1.00 0.00 H new ATOM 0 HB3 SER A 163 11.365 13.023 16.356 1.00 0.00 H new ATOM 0 HG SER A 163 10.483 15.177 16.290 1.00 0.00 H new ATOM 692 N ARG A 167 11.692 16.994 12.051 1.00 0.00 N ATOM 693 CA ARG A 167 10.725 16.689 10.961 1.00 0.00 C ATOM 694 C ARG A 167 10.300 15.222 11.053 1.00 0.00 C ATOM 695 O ARG A 167 11.097 14.352 11.343 1.00 0.00 O ATOM 696 CB ARG A 167 11.387 16.943 9.605 1.00 0.00 C ATOM 697 CG ARG A 167 11.602 18.445 9.414 1.00 0.00 C ATOM 698 CD ARG A 167 12.059 18.717 7.980 1.00 0.00 C ATOM 699 NE ARG A 167 13.282 17.918 7.689 1.00 0.00 N ATOM 700 CZ ARG A 167 13.801 17.930 6.491 1.00 0.00 C ATOM 701 NH1 ARG A 167 14.611 18.891 6.142 1.00 0.00 N ATOM 702 NH2 ARG A 167 13.508 16.982 5.643 1.00 0.00 N ATOM 0 HA ARG A 167 9.849 17.329 11.063 1.00 0.00 H new ATOM 0 HB2 ARG A 167 12.341 16.419 9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 167 10.761 16.550 8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 167 10.678 18.985 9.621 1.00 0.00 H new ATOM 0 HG3 ARG A 167 12.348 18.809 10.120 1.00 0.00 H new ATOM 0 HD2 ARG A 167 11.266 18.457 7.279 1.00 0.00 H new ATOM 0 HD3 ARG A 167 12.265 19.779 7.848 1.00 0.00 H new ATOM 0 HE ARG A 167 13.714 17.361 8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 167 14.838 19.632 6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 167 15.017 18.901 5.206 1.00 0.00 H new ATOM 0 HH21 ARG A 167 12.873 16.232 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 167 13.914 16.992 4.707 1.00 0.00 H new ATOM 716 N ALA A 168 9.050 14.939 10.807 1.00 0.00 N ATOM 717 CA ALA A 168 8.577 13.527 10.882 1.00 0.00 C ATOM 718 C ALA A 168 8.955 12.795 9.593 1.00 0.00 C ATOM 719 O ALA A 168 8.774 13.302 8.504 1.00 0.00 O ATOM 720 CB ALA A 168 7.057 13.507 11.054 1.00 0.00 C ATOM 0 H ALA A 168 8.336 15.624 10.558 1.00 0.00 H new ATOM 0 HA ALA A 168 9.045 13.031 11.732 1.00 0.00 H new ATOM 0 HB1 ALA A 168 6.711 12.475 11.109 1.00 0.00 H new ATOM 0 HB2 ALA A 168 6.788 14.029 11.972 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.588 14.002 10.204 1.00 0.00 H new ATOM 726 N THR A 169 9.478 11.605 9.708 1.00 0.00 N ATOM 727 CA THR A 169 9.866 10.841 8.489 1.00 0.00 C ATOM 728 C THR A 169 9.251 9.442 8.548 1.00 0.00 C ATOM 729 O THR A 169 9.934 8.462 8.778 1.00 0.00 O ATOM 730 CB THR A 169 11.391 10.725 8.423 1.00 0.00 C ATOM 731 OG1 THR A 169 11.964 12.025 8.470 1.00 0.00 O ATOM 732 CG2 THR A 169 11.796 10.033 7.121 1.00 0.00 C ATOM 0 H THR A 169 9.653 11.129 10.593 1.00 0.00 H new ATOM 0 HA THR A 169 9.503 11.361 7.603 1.00 0.00 H new ATOM 0 HB THR A 169 11.749 10.138 9.269 1.00 0.00 H new ATOM 0 HG1 THR A 169 12.941 11.954 8.430 1.00 0.00 H new ATOM 0 HG21 THR A 169 12.882 9.951 7.075 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.355 9.037 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 169 11.440 10.617 6.272 1.00 0.00 H new ATOM 740 N PRO A 170 7.931 9.352 8.334 1.00 0.00 N ATOM 741 CA PRO A 170 7.208 8.073 8.361 1.00 0.00 C ATOM 742 C PRO A 170 7.860 7.029 7.449 1.00 0.00 C ATOM 743 O PRO A 170 7.795 7.122 6.239 1.00 0.00 O ATOM 744 CB PRO A 170 5.820 8.434 7.832 1.00 0.00 C ATOM 745 CG PRO A 170 6.042 9.651 7.000 1.00 0.00 C ATOM 746 CD PRO A 170 7.161 10.409 7.655 1.00 0.00 C ATOM 0 HA PRO A 170 7.198 7.632 9.358 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.397 7.621 7.242 1.00 0.00 H new ATOM 0 HB3 PRO A 170 5.124 8.632 8.647 1.00 0.00 H new ATOM 0 HG2 PRO A 170 6.302 9.381 5.977 1.00 0.00 H new ATOM 0 HG3 PRO A 170 5.138 10.258 6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 170 7.768 10.943 6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 170 6.786 11.151 8.360 1.00 0.00 H new ATOM 754 N VAL A 171 8.488 6.038 8.019 1.00 0.00 N ATOM 755 CA VAL A 171 9.140 4.990 7.185 1.00 0.00 C ATOM 756 C VAL A 171 8.632 3.611 7.612 1.00 0.00 C ATOM 757 O VAL A 171 8.200 3.417 8.731 1.00 0.00 O ATOM 758 CB VAL A 171 10.657 5.057 7.377 1.00 0.00 C ATOM 759 CG1 VAL A 171 11.153 6.463 7.034 1.00 0.00 C ATOM 760 CG2 VAL A 171 11.003 4.734 8.831 1.00 0.00 C ATOM 0 H VAL A 171 8.578 5.909 9.027 1.00 0.00 H new ATOM 0 HA VAL A 171 8.899 5.157 6.135 1.00 0.00 H new ATOM 0 HB VAL A 171 11.138 4.332 6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 171 12.233 6.511 7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 171 10.908 6.692 5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 171 10.672 7.189 7.690 1.00 0.00 H new ATOM 0 HG21 VAL A 171 12.083 4.782 8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 171 10.522 5.458 9.489 1.00 0.00 H new ATOM 0 HG23 VAL A 171 10.651 3.732 9.075 1.00 0.00 H new ATOM 770 N GLU A 172 8.680 2.651 6.730 1.00 0.00 N ATOM 771 CA GLU A 172 8.198 1.286 7.087 1.00 0.00 C ATOM 772 C GLU A 172 9.361 0.461 7.641 1.00 0.00 C ATOM 773 O GLU A 172 10.420 0.388 7.052 1.00 0.00 O ATOM 774 CB GLU A 172 7.635 0.602 5.839 1.00 0.00 C ATOM 775 CG GLU A 172 6.413 1.375 5.341 1.00 0.00 C ATOM 776 CD GLU A 172 5.781 0.626 4.166 1.00 0.00 C ATOM 777 OE1 GLU A 172 6.382 -0.332 3.706 1.00 0.00 O ATOM 778 OE2 GLU A 172 4.706 1.021 3.746 1.00 0.00 O ATOM 0 H GLU A 172 9.032 2.752 5.778 1.00 0.00 H new ATOM 0 HA GLU A 172 7.417 1.363 7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 172 8.396 0.561 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 172 7.359 -0.427 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.688 1.488 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 172 6.705 2.379 5.032 1.00 0.00 H new ATOM 785 N LEU A 173 9.171 -0.163 8.773 1.00 0.00 N ATOM 786 CA LEU A 173 10.264 -0.984 9.363 1.00 0.00 C ATOM 787 C LEU A 173 9.779 -2.423 9.547 1.00 0.00 C ATOM 788 O LEU A 173 8.597 -2.679 9.672 1.00 0.00 O ATOM 789 CB LEU A 173 10.661 -0.403 10.722 1.00 0.00 C ATOM 790 CG LEU A 173 11.026 1.074 10.558 1.00 0.00 C ATOM 791 CD1 LEU A 173 11.491 1.635 11.905 1.00 0.00 C ATOM 792 CD2 LEU A 173 12.153 1.212 9.532 1.00 0.00 C ATOM 0 H LEU A 173 8.306 -0.139 9.313 1.00 0.00 H new ATOM 0 HA LEU A 173 11.126 -0.973 8.696 1.00 0.00 H new ATOM 0 HB2 LEU A 173 9.838 -0.509 11.429 1.00 0.00 H new ATOM 0 HB3 LEU A 173 11.507 -0.954 11.132 1.00 0.00 H new ATOM 0 HG LEU A 173 10.153 1.628 10.213 1.00 0.00 H new ATOM 0 HD11 LEU A 173 11.752 2.687 11.790 1.00 0.00 H new ATOM 0 HD12 LEU A 173 10.689 1.537 12.636 1.00 0.00 H new ATOM 0 HD13 LEU A 173 12.364 1.080 12.248 1.00 0.00 H new ATOM 0 HD21 LEU A 173 12.412 2.264 9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 173 13.027 0.659 9.875 1.00 0.00 H new ATOM 0 HD23 LEU A 173 11.823 0.812 8.573 1.00 0.00 H new ATOM 804 N ASP A 174 10.680 -3.365 9.565 1.00 0.00 N ATOM 805 CA ASP A 174 10.271 -4.788 9.738 1.00 0.00 C ATOM 806 C ASP A 174 10.098 -5.096 11.228 1.00 0.00 C ATOM 807 O ASP A 174 10.685 -4.456 12.077 1.00 0.00 O ATOM 808 CB ASP A 174 11.347 -5.703 9.151 1.00 0.00 C ATOM 809 CG ASP A 174 11.438 -5.480 7.640 1.00 0.00 C ATOM 810 OD1 ASP A 174 10.522 -4.886 7.093 1.00 0.00 O ATOM 811 OD2 ASP A 174 12.420 -5.906 7.056 1.00 0.00 O ATOM 0 H ASP A 174 11.684 -3.211 9.467 1.00 0.00 H new ATOM 0 HA ASP A 174 9.326 -4.958 9.221 1.00 0.00 H new ATOM 0 HB2 ASP A 174 12.310 -5.496 9.618 1.00 0.00 H new ATOM 0 HB3 ASP A 174 11.108 -6.745 9.362 1.00 0.00 H new ATOM 816 N PHE A 175 9.295 -6.073 11.548 1.00 0.00 N ATOM 817 CA PHE A 175 9.081 -6.428 12.980 1.00 0.00 C ATOM 818 C PHE A 175 10.434 -6.614 13.671 1.00 0.00 C ATOM 819 O PHE A 175 10.688 -6.059 14.722 1.00 0.00 O ATOM 820 CB PHE A 175 8.284 -7.732 13.068 1.00 0.00 C ATOM 821 CG PHE A 175 6.816 -7.446 12.859 1.00 0.00 C ATOM 822 CD1 PHE A 175 6.345 -7.095 11.587 1.00 0.00 C ATOM 823 CD2 PHE A 175 5.926 -7.530 13.936 1.00 0.00 C ATOM 824 CE1 PHE A 175 4.983 -6.829 11.395 1.00 0.00 C ATOM 825 CE2 PHE A 175 4.564 -7.264 13.743 1.00 0.00 C ATOM 826 CZ PHE A 175 4.094 -6.913 12.473 1.00 0.00 C ATOM 0 H PHE A 175 8.777 -6.642 10.879 1.00 0.00 H new ATOM 0 HA PHE A 175 8.529 -5.627 13.472 1.00 0.00 H new ATOM 0 HB2 PHE A 175 8.638 -8.437 12.316 1.00 0.00 H new ATOM 0 HB3 PHE A 175 8.439 -8.199 14.041 1.00 0.00 H new ATOM 0 HD1 PHE A 175 7.031 -7.030 10.755 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.289 -7.800 14.917 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.619 -6.559 10.415 1.00 0.00 H new ATOM 0 HE2 PHE A 175 3.877 -7.330 14.574 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.044 -6.707 12.324 1.00 0.00 H new ATOM 836 N SER A 176 11.304 -7.396 13.091 1.00 0.00 N ATOM 837 CA SER A 176 12.639 -7.621 13.717 1.00 0.00 C ATOM 838 C SER A 176 13.515 -6.381 13.518 1.00 0.00 C ATOM 839 O SER A 176 14.499 -6.191 14.205 1.00 0.00 O ATOM 840 CB SER A 176 13.310 -8.830 13.062 1.00 0.00 C ATOM 841 OG SER A 176 13.698 -8.497 11.737 1.00 0.00 O ATOM 0 H SER A 176 11.148 -7.889 12.211 1.00 0.00 H new ATOM 0 HA SER A 176 12.513 -7.807 14.784 1.00 0.00 H new ATOM 0 HB2 SER A 176 14.182 -9.134 13.642 1.00 0.00 H new ATOM 0 HB3 SER A 176 12.624 -9.677 13.049 1.00 0.00 H new ATOM 0 HG SER A 176 14.129 -9.271 11.318 1.00 0.00 H new ATOM 847 N GLN A 177 13.167 -5.539 12.586 1.00 0.00 N ATOM 848 CA GLN A 177 13.983 -4.314 12.346 1.00 0.00 C ATOM 849 C GLN A 177 13.756 -3.320 13.485 1.00 0.00 C ATOM 850 O GLN A 177 14.592 -2.485 13.770 1.00 0.00 O ATOM 851 CB GLN A 177 13.564 -3.675 11.021 1.00 0.00 C ATOM 852 CG GLN A 177 14.430 -2.442 10.754 1.00 0.00 C ATOM 853 CD GLN A 177 14.033 -1.821 9.414 1.00 0.00 C ATOM 854 OE1 GLN A 177 13.163 -2.326 8.732 1.00 0.00 O ATOM 855 NE2 GLN A 177 14.637 -0.740 9.004 1.00 0.00 N ATOM 0 H GLN A 177 12.354 -5.645 11.980 1.00 0.00 H new ATOM 0 HA GLN A 177 15.039 -4.582 12.303 1.00 0.00 H new ATOM 0 HB2 GLN A 177 13.674 -4.393 10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 177 12.512 -3.393 11.058 1.00 0.00 H new ATOM 0 HG2 GLN A 177 14.303 -1.715 11.556 1.00 0.00 H new ATOM 0 HG3 GLN A 177 15.484 -2.721 10.740 1.00 0.00 H new ATOM 0 HE21 GLN A 177 15.367 -0.316 9.576 1.00 0.00 H new ATOM 0 HE22 GLN A 177 14.379 -0.319 8.111 1.00 0.00 H new ATOM 864 N VAL A 178 12.630 -3.399 14.140 1.00 0.00 N ATOM 865 CA VAL A 178 12.351 -2.456 15.259 1.00 0.00 C ATOM 866 C VAL A 178 12.008 -3.249 16.521 1.00 0.00 C ATOM 867 O VAL A 178 11.672 -4.415 16.461 1.00 0.00 O ATOM 868 CB VAL A 178 11.172 -1.556 14.886 1.00 0.00 C ATOM 869 CG1 VAL A 178 11.401 -0.968 13.492 1.00 0.00 C ATOM 870 CG2 VAL A 178 9.883 -2.379 14.886 1.00 0.00 C ATOM 0 H VAL A 178 11.891 -4.076 13.948 1.00 0.00 H new ATOM 0 HA VAL A 178 13.232 -1.842 15.444 1.00 0.00 H new ATOM 0 HB VAL A 178 11.087 -0.748 15.612 1.00 0.00 H new ATOM 0 HG11 VAL A 178 10.561 -0.326 13.225 1.00 0.00 H new ATOM 0 HG12 VAL A 178 12.320 -0.382 13.491 1.00 0.00 H new ATOM 0 HG13 VAL A 178 11.485 -1.776 12.766 1.00 0.00 H new ATOM 0 HG21 VAL A 178 9.042 -1.738 14.620 1.00 0.00 H new ATOM 0 HG22 VAL A 178 9.967 -3.187 14.159 1.00 0.00 H new ATOM 0 HG23 VAL A 178 9.720 -2.799 15.878 1.00 0.00 H new ATOM 880 N GLU A 179 12.091 -2.627 17.665 1.00 0.00 N ATOM 881 CA GLU A 179 11.771 -3.347 18.929 1.00 0.00 C ATOM 882 C GLU A 179 10.583 -2.669 19.616 1.00 0.00 C ATOM 883 O GLU A 179 10.389 -1.475 19.506 1.00 0.00 O ATOM 884 CB GLU A 179 12.986 -3.311 19.858 1.00 0.00 C ATOM 885 CG GLU A 179 14.226 -3.779 19.093 1.00 0.00 C ATOM 886 CD GLU A 179 15.390 -3.955 20.070 1.00 0.00 C ATOM 887 OE1 GLU A 179 15.307 -3.420 21.162 1.00 0.00 O ATOM 888 OE2 GLU A 179 16.344 -4.624 19.708 1.00 0.00 O ATOM 0 H GLU A 179 12.367 -1.652 17.779 1.00 0.00 H new ATOM 0 HA GLU A 179 11.517 -4.383 18.703 1.00 0.00 H new ATOM 0 HB2 GLU A 179 13.139 -2.300 20.236 1.00 0.00 H new ATOM 0 HB3 GLU A 179 12.815 -3.952 20.723 1.00 0.00 H new ATOM 0 HG2 GLU A 179 14.019 -4.720 18.584 1.00 0.00 H new ATOM 0 HG3 GLU A 179 14.489 -3.052 18.325 1.00 0.00 H new ATOM 895 N LYS A 180 9.788 -3.423 20.323 1.00 0.00 N ATOM 896 CA LYS A 180 8.614 -2.824 21.016 1.00 0.00 C ATOM 897 C LYS A 180 9.075 -2.153 22.312 1.00 0.00 C ATOM 898 O LYS A 180 9.817 -2.724 23.087 1.00 0.00 O ATOM 899 CB LYS A 180 7.599 -3.921 21.343 1.00 0.00 C ATOM 900 CG LYS A 180 6.269 -3.281 21.745 1.00 0.00 C ATOM 901 CD LYS A 180 5.290 -4.373 22.182 1.00 0.00 C ATOM 902 CE LYS A 180 3.934 -3.741 22.503 1.00 0.00 C ATOM 903 NZ LYS A 180 3.730 -3.726 23.979 1.00 0.00 N ATOM 0 H LYS A 180 9.901 -4.429 20.451 1.00 0.00 H new ATOM 0 HA LYS A 180 8.149 -2.082 20.367 1.00 0.00 H new ATOM 0 HB2 LYS A 180 7.456 -4.569 20.478 1.00 0.00 H new ATOM 0 HB3 LYS A 180 7.973 -4.548 22.153 1.00 0.00 H new ATOM 0 HG2 LYS A 180 6.425 -2.571 22.557 1.00 0.00 H new ATOM 0 HG3 LYS A 180 5.855 -2.720 20.907 1.00 0.00 H new ATOM 0 HD2 LYS A 180 5.180 -5.115 21.392 1.00 0.00 H new ATOM 0 HD3 LYS A 180 5.677 -4.895 23.057 1.00 0.00 H new ATOM 0 HE2 LYS A 180 3.892 -2.726 22.109 1.00 0.00 H new ATOM 0 HE3 LYS A 180 3.135 -4.304 22.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 2.808 -3.297 24.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 3.753 -4.700 24.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 4.486 -3.171 24.428 1.00 0.00 H new ATOM 917 N ALA A 181 8.641 -0.946 22.554 1.00 0.00 N ATOM 918 CA ALA A 181 9.055 -0.242 23.799 1.00 0.00 C ATOM 919 C ALA A 181 8.420 -0.930 25.010 1.00 0.00 C ATOM 920 O ALA A 181 8.886 -0.801 26.124 1.00 0.00 O ATOM 921 CB ALA A 181 8.592 1.215 23.739 1.00 0.00 C ATOM 0 H ALA A 181 8.018 -0.418 21.943 1.00 0.00 H new ATOM 0 HA ALA A 181 10.141 -0.275 23.891 1.00 0.00 H new ATOM 0 HB1 ALA A 181 8.895 1.731 24.650 1.00 0.00 H new ATOM 0 HB2 ALA A 181 9.044 1.705 22.877 1.00 0.00 H new ATOM 0 HB3 ALA A 181 7.506 1.248 23.647 1.00 0.00 H new