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 Set 1.1: A 133 MET CE :methyl -132:sc= -0.126 (180deg=-0.911) USER MOD Set 1.2: A 145 ASN : amide:sc= -2.09! C(o=-2.2!,f=-5.7!) USER MOD Single : A 137 ASN : amide:sc= -1.72! C(o=-1.7!,f=-7.8!) USER MOD Single : A 153 TYR OH : rot 76:sc= 0.1 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+ -169:sc= 0.13 (180deg=0.103) USER MOD Single : A 161 SER OG : rot 138:sc= -0.294 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= 0.795 K(o=0.8,f=-7.1!) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PHE A 128 2.159 -4.857 17.906 1.00 0.00 N ATOM 95 CA PHE A 128 2.292 -3.380 18.040 1.00 0.00 C ATOM 96 C PHE A 128 0.913 -2.731 17.908 1.00 0.00 C ATOM 97 O PHE A 128 0.180 -2.991 16.974 1.00 0.00 O ATOM 98 CB PHE A 128 3.212 -2.847 16.940 1.00 0.00 C ATOM 99 CG PHE A 128 4.573 -3.487 17.069 1.00 0.00 C ATOM 100 CD1 PHE A 128 5.526 -2.938 17.936 1.00 0.00 C ATOM 101 CD2 PHE A 128 4.884 -4.629 16.322 1.00 0.00 C ATOM 102 CE1 PHE A 128 6.788 -3.532 18.055 1.00 0.00 C ATOM 103 CE2 PHE A 128 6.146 -5.223 16.441 1.00 0.00 C ATOM 104 CZ PHE A 128 7.098 -4.674 17.308 1.00 0.00 C ATOM 0 HA PHE A 128 2.716 -3.141 19.015 1.00 0.00 H new ATOM 0 HB2 PHE A 128 2.788 -3.064 15.960 1.00 0.00 H new ATOM 0 HB3 PHE A 128 3.299 -1.763 17.017 1.00 0.00 H new ATOM 0 HD1 PHE A 128 5.287 -2.057 18.513 1.00 0.00 H new ATOM 0 HD2 PHE A 128 4.149 -5.052 15.653 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.523 -3.109 18.724 1.00 0.00 H new ATOM 0 HE2 PHE A 128 6.385 -6.104 15.864 1.00 0.00 H new ATOM 0 HZ PHE A 128 8.072 -5.132 17.400 1.00 0.00 H new ATOM 114 N GLU A 129 0.554 -1.887 18.836 1.00 0.00 N ATOM 115 CA GLU A 129 -0.777 -1.221 18.762 1.00 0.00 C ATOM 116 C GLU A 129 -0.599 0.221 18.282 1.00 0.00 C ATOM 117 O GLU A 129 0.323 0.906 18.676 1.00 0.00 O ATOM 118 CB GLU A 129 -1.424 -1.220 20.148 1.00 0.00 C ATOM 119 CG GLU A 129 -1.676 -2.663 20.595 1.00 0.00 C ATOM 120 CD GLU A 129 -3.180 -2.941 20.592 1.00 0.00 C ATOM 121 OE1 GLU A 129 -3.888 -2.269 21.323 1.00 0.00 O ATOM 122 OE2 GLU A 129 -3.598 -3.823 19.860 1.00 0.00 O ATOM 0 H GLU A 129 1.124 -1.630 19.642 1.00 0.00 H new ATOM 0 HA GLU A 129 -1.416 -1.761 18.063 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -0.775 -0.714 20.863 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -2.363 -0.667 20.122 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -1.166 -3.357 19.927 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -1.268 -2.823 21.593 1.00 0.00 H new ATOM 129 N PRO A 130 -1.505 0.686 17.410 1.00 0.00 N ATOM 130 CA PRO A 130 -1.454 2.049 16.867 1.00 0.00 C ATOM 131 C PRO A 130 -1.130 3.080 17.953 1.00 0.00 C ATOM 132 O PRO A 130 -1.670 3.041 19.041 1.00 0.00 O ATOM 133 CB PRO A 130 -2.869 2.278 16.336 1.00 0.00 C ATOM 134 CG PRO A 130 -3.724 1.354 17.135 1.00 0.00 C ATOM 135 CD PRO A 130 -2.878 0.149 17.437 1.00 0.00 C ATOM 0 HA PRO A 130 -0.678 2.158 16.109 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.178 3.315 16.465 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.933 2.056 15.271 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -4.060 1.833 18.055 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -4.617 1.072 16.578 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -3.123 -0.282 18.408 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -3.018 -0.637 16.695 1.00 0.00 H new ATOM 143 N GLY A 131 -0.254 4.003 17.665 1.00 0.00 N ATOM 144 CA GLY A 131 0.103 5.034 18.679 1.00 0.00 C ATOM 145 C GLY A 131 1.114 4.451 19.670 1.00 0.00 C ATOM 146 O GLY A 131 1.457 5.070 20.657 1.00 0.00 O ATOM 0 H GLY A 131 0.230 4.088 16.771 1.00 0.00 H new ATOM 0 HA2 GLY A 131 0.524 5.911 18.188 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -0.791 5.364 19.208 1.00 0.00 H new ATOM 150 N GLU A 132 1.592 3.263 19.415 1.00 0.00 N ATOM 151 CA GLU A 132 2.580 2.644 20.344 1.00 0.00 C ATOM 152 C GLU A 132 3.995 3.047 19.925 1.00 0.00 C ATOM 153 O GLU A 132 4.377 2.908 18.781 1.00 0.00 O ATOM 154 CB GLU A 132 2.446 1.121 20.288 1.00 0.00 C ATOM 155 CG GLU A 132 3.378 0.488 21.325 1.00 0.00 C ATOM 156 CD GLU A 132 3.321 -1.036 21.199 1.00 0.00 C ATOM 157 OE1 GLU A 132 2.537 -1.515 20.396 1.00 0.00 O ATOM 158 OE2 GLU A 132 4.061 -1.698 21.907 1.00 0.00 O ATOM 0 H GLU A 132 1.342 2.696 18.605 1.00 0.00 H new ATOM 0 HA GLU A 132 2.390 2.989 21.360 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.414 0.829 20.484 1.00 0.00 H new ATOM 0 HB3 GLU A 132 2.696 0.760 19.290 1.00 0.00 H new ATOM 0 HG2 GLU A 132 4.399 0.838 21.174 1.00 0.00 H new ATOM 0 HG3 GLU A 132 3.082 0.792 22.329 1.00 0.00 H new ATOM 165 N MET A 133 4.777 3.545 20.844 1.00 0.00 N ATOM 166 CA MET A 133 6.166 3.957 20.496 1.00 0.00 C ATOM 167 C MET A 133 6.997 2.716 20.163 1.00 0.00 C ATOM 168 O MET A 133 6.824 1.665 20.749 1.00 0.00 O ATOM 169 CB MET A 133 6.795 4.688 21.684 1.00 0.00 C ATOM 170 CG MET A 133 8.296 4.855 21.445 1.00 0.00 C ATOM 171 SD MET A 133 9.017 5.829 22.788 1.00 0.00 S ATOM 172 CE MET A 133 8.336 7.432 22.295 1.00 0.00 C ATOM 0 H MET A 133 4.514 3.684 21.820 1.00 0.00 H new ATOM 0 HA MET A 133 6.142 4.622 19.632 1.00 0.00 H new ATOM 0 HB2 MET A 133 6.326 5.663 21.814 1.00 0.00 H new ATOM 0 HB3 MET A 133 6.623 4.127 22.602 1.00 0.00 H new ATOM 0 HG2 MET A 133 8.777 3.878 21.391 1.00 0.00 H new ATOM 0 HG3 MET A 133 8.470 5.349 20.489 1.00 0.00 H new ATOM 0 HE1 MET A 133 9.127 8.182 22.306 1.00 0.00 H new ATOM 0 HE2 MET A 133 7.921 7.357 21.290 1.00 0.00 H new ATOM 0 HE3 MET A 133 7.550 7.723 22.992 1.00 0.00 H new ATOM 182 N VAL A 134 7.898 2.828 19.226 1.00 0.00 N ATOM 183 CA VAL A 134 8.739 1.654 18.857 1.00 0.00 C ATOM 184 C VAL A 134 10.209 2.077 18.817 1.00 0.00 C ATOM 185 O VAL A 134 10.541 3.223 19.047 1.00 0.00 O ATOM 186 CB VAL A 134 8.318 1.139 17.479 1.00 0.00 C ATOM 187 CG1 VAL A 134 8.785 -0.307 17.309 1.00 0.00 C ATOM 188 CG2 VAL A 134 6.794 1.202 17.355 1.00 0.00 C ATOM 0 H VAL A 134 8.088 3.681 18.700 1.00 0.00 H new ATOM 0 HA VAL A 134 8.607 0.863 19.595 1.00 0.00 H new ATOM 0 HB VAL A 134 8.771 1.759 16.706 1.00 0.00 H new ATOM 0 HG11 VAL A 134 8.485 -0.673 16.327 1.00 0.00 H new ATOM 0 HG12 VAL A 134 9.871 -0.351 17.397 1.00 0.00 H new ATOM 0 HG13 VAL A 134 8.333 -0.929 18.082 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.493 0.835 16.374 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.340 0.583 18.129 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.462 2.233 17.474 1.00 0.00 H new ATOM 198 N ARG A 135 11.093 1.163 18.525 1.00 0.00 N ATOM 199 CA ARG A 135 12.540 1.515 18.470 1.00 0.00 C ATOM 200 C ARG A 135 13.138 1.004 17.159 1.00 0.00 C ATOM 201 O ARG A 135 12.882 -0.108 16.740 1.00 0.00 O ATOM 202 CB ARG A 135 13.266 0.866 19.650 1.00 0.00 C ATOM 203 CG ARG A 135 14.701 1.391 19.717 1.00 0.00 C ATOM 204 CD ARG A 135 15.469 0.639 20.806 1.00 0.00 C ATOM 205 NE ARG A 135 16.829 1.229 20.953 1.00 0.00 N ATOM 206 CZ ARG A 135 16.962 2.494 21.242 1.00 0.00 C ATOM 207 NH1 ARG A 135 15.939 3.174 21.685 1.00 0.00 N ATOM 208 NH2 ARG A 135 18.117 3.081 21.085 1.00 0.00 N ATOM 0 H ARG A 135 10.876 0.187 18.322 1.00 0.00 H new ATOM 0 HA ARG A 135 12.655 2.598 18.524 1.00 0.00 H new ATOM 0 HB2 ARG A 135 12.742 1.088 20.580 1.00 0.00 H new ATOM 0 HB3 ARG A 135 13.269 -0.218 19.537 1.00 0.00 H new ATOM 0 HG2 ARG A 135 15.193 1.259 18.753 1.00 0.00 H new ATOM 0 HG3 ARG A 135 14.699 2.460 19.931 1.00 0.00 H new ATOM 0 HD2 ARG A 135 14.931 0.698 21.752 1.00 0.00 H new ATOM 0 HD3 ARG A 135 15.545 -0.417 20.549 1.00 0.00 H new ATOM 0 HE ARG A 135 17.655 0.644 20.828 1.00 0.00 H new ATOM 0 HH11 ARG A 135 15.036 2.716 21.805 1.00 0.00 H new ATOM 0 HH12 ARG A 135 16.043 4.163 21.911 1.00 0.00 H new ATOM 0 HH21 ARG A 135 18.915 2.551 20.736 1.00 0.00 H new ATOM 0 HH22 ARG A 135 18.221 4.070 21.311 1.00 0.00 H new ATOM 222 N VAL A 136 13.933 1.807 16.505 1.00 0.00 N ATOM 223 CA VAL A 136 14.546 1.366 15.221 1.00 0.00 C ATOM 224 C VAL A 136 16.036 1.096 15.433 1.00 0.00 C ATOM 225 O VAL A 136 16.738 1.879 16.043 1.00 0.00 O ATOM 226 CB VAL A 136 14.370 2.462 14.168 1.00 0.00 C ATOM 227 CG1 VAL A 136 14.974 1.995 12.841 1.00 0.00 C ATOM 228 CG2 VAL A 136 12.881 2.752 13.977 1.00 0.00 C ATOM 0 H VAL A 136 14.184 2.749 16.805 1.00 0.00 H new ATOM 0 HA VAL A 136 14.057 0.454 14.880 1.00 0.00 H new ATOM 0 HB VAL A 136 14.876 3.369 14.499 1.00 0.00 H new ATOM 0 HG11 VAL A 136 14.849 2.775 12.090 1.00 0.00 H new ATOM 0 HG12 VAL A 136 16.036 1.789 12.977 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.468 1.088 12.510 1.00 0.00 H new ATOM 0 HG21 VAL A 136 12.756 3.533 13.227 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.373 1.846 13.646 1.00 0.00 H new ATOM 0 HG23 VAL A 136 12.451 3.084 14.922 1.00 0.00 H new ATOM 238 N ASN A 137 16.526 -0.006 14.935 1.00 0.00 N ATOM 239 CA ASN A 137 17.972 -0.324 15.109 1.00 0.00 C ATOM 240 C ASN A 137 18.564 -0.757 13.766 1.00 0.00 C ATOM 241 O ASN A 137 19.562 -1.446 13.710 1.00 0.00 O ATOM 242 CB ASN A 137 18.126 -1.459 16.123 1.00 0.00 C ATOM 243 CG ASN A 137 17.400 -2.704 15.609 1.00 0.00 C ATOM 244 OD1 ASN A 137 17.194 -2.855 14.421 1.00 0.00 O ATOM 245 ND2 ASN A 137 17.000 -3.609 16.460 1.00 0.00 N ATOM 0 H ASN A 137 15.988 -0.700 14.415 1.00 0.00 H new ATOM 0 HA ASN A 137 18.498 0.560 15.470 1.00 0.00 H new ATOM 0 HB2 ASN A 137 19.182 -1.680 16.280 1.00 0.00 H new ATOM 0 HB3 ASN A 137 17.716 -1.158 17.087 1.00 0.00 H new ATOM 0 HD21 ASN A 137 16.515 -4.442 16.128 1.00 0.00 H new ATOM 0 HD22 ASN A 137 17.173 -3.483 17.457 1.00 0.00 H new ATOM 252 N ASP A 138 17.956 -0.356 12.683 1.00 0.00 N ATOM 253 CA ASP A 138 18.485 -0.744 11.346 1.00 0.00 C ATOM 254 C ASP A 138 18.308 0.419 10.369 1.00 0.00 C ATOM 255 O ASP A 138 17.334 1.144 10.423 1.00 0.00 O ATOM 256 CB ASP A 138 17.720 -1.965 10.830 1.00 0.00 C ATOM 257 CG ASP A 138 18.374 -2.472 9.543 1.00 0.00 C ATOM 258 OD1 ASP A 138 19.404 -1.933 9.172 1.00 0.00 O ATOM 259 OD2 ASP A 138 17.832 -3.390 8.949 1.00 0.00 O ATOM 0 H ASP A 138 17.116 0.223 12.667 1.00 0.00 H new ATOM 0 HA ASP A 138 19.544 -0.988 11.431 1.00 0.00 H new ATOM 0 HB2 ASP A 138 17.719 -2.752 11.584 1.00 0.00 H new ATOM 0 HB3 ASP A 138 16.679 -1.702 10.642 1.00 0.00 H new ATOM 264 N GLY A 139 19.241 0.605 9.476 1.00 0.00 N ATOM 265 CA GLY A 139 19.123 1.722 8.497 1.00 0.00 C ATOM 266 C GLY A 139 19.444 3.046 9.193 1.00 0.00 C ATOM 267 O GLY A 139 19.616 3.100 10.395 1.00 0.00 O ATOM 0 H GLY A 139 20.080 0.032 9.382 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.806 1.562 7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 139 18.115 1.752 8.083 1.00 0.00 H new ATOM 271 N PRO A 140 19.527 4.135 8.415 1.00 0.00 N ATOM 272 CA PRO A 140 19.829 5.470 8.949 1.00 0.00 C ATOM 273 C PRO A 140 18.900 5.841 10.109 1.00 0.00 C ATOM 274 O PRO A 140 19.176 6.746 10.872 1.00 0.00 O ATOM 275 CB PRO A 140 19.576 6.397 7.759 1.00 0.00 C ATOM 276 CG PRO A 140 18.604 5.656 6.906 1.00 0.00 C ATOM 277 CD PRO A 140 18.926 4.197 7.071 1.00 0.00 C ATOM 0 HA PRO A 140 20.842 5.533 9.347 1.00 0.00 H new ATOM 0 HB2 PRO A 140 19.170 7.355 8.082 1.00 0.00 H new ATOM 0 HB3 PRO A 140 20.498 6.608 7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 140 17.579 5.865 7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.693 5.958 5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 140 18.032 3.577 7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.618 3.848 6.304 1.00 0.00 H new ATOM 285 N PHE A 141 17.802 5.151 10.246 1.00 0.00 N ATOM 286 CA PHE A 141 16.860 5.465 11.357 1.00 0.00 C ATOM 287 C PHE A 141 17.189 4.590 12.568 1.00 0.00 C ATOM 288 O PHE A 141 16.388 4.433 13.468 1.00 0.00 O ATOM 289 CB PHE A 141 15.425 5.187 10.901 1.00 0.00 C ATOM 290 CG PHE A 141 15.076 6.102 9.751 1.00 0.00 C ATOM 291 CD1 PHE A 141 14.721 7.434 9.998 1.00 0.00 C ATOM 292 CD2 PHE A 141 15.105 5.616 8.438 1.00 0.00 C ATOM 293 CE1 PHE A 141 14.396 8.280 8.931 1.00 0.00 C ATOM 294 CE2 PHE A 141 14.780 6.463 7.372 1.00 0.00 C ATOM 295 CZ PHE A 141 14.425 7.794 7.619 1.00 0.00 C ATOM 0 H PHE A 141 17.516 4.384 9.637 1.00 0.00 H new ATOM 0 HA PHE A 141 16.958 6.515 11.631 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.325 4.146 10.595 1.00 0.00 H new ATOM 0 HB3 PHE A 141 14.732 5.344 11.728 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.698 7.808 11.011 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.378 4.588 8.248 1.00 0.00 H new ATOM 0 HE1 PHE A 141 14.123 9.308 9.120 1.00 0.00 H new ATOM 0 HE2 PHE A 141 14.803 6.089 6.359 1.00 0.00 H new ATOM 0 HZ PHE A 141 14.173 8.447 6.796 1.00 0.00 H new ATOM 305 N ALA A 142 18.362 4.020 12.597 1.00 0.00 N ATOM 306 CA ALA A 142 18.742 3.155 13.748 1.00 0.00 C ATOM 307 C ALA A 142 19.022 4.028 14.972 1.00 0.00 C ATOM 308 O ALA A 142 19.455 5.157 14.856 1.00 0.00 O ATOM 309 CB ALA A 142 19.999 2.357 13.392 1.00 0.00 C ATOM 0 H ALA A 142 19.074 4.116 11.873 1.00 0.00 H new ATOM 0 HA ALA A 142 17.926 2.468 13.972 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.278 1.723 14.234 1.00 0.00 H new ATOM 0 HB2 ALA A 142 19.800 1.735 12.520 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.815 3.044 13.169 1.00 0.00 H new ATOM 315 N ASP A 143 18.780 3.514 16.147 1.00 0.00 N ATOM 316 CA ASP A 143 19.033 4.312 17.379 1.00 0.00 C ATOM 317 C ASP A 143 18.087 5.514 17.413 1.00 0.00 C ATOM 318 O ASP A 143 18.497 6.634 17.646 1.00 0.00 O ATOM 319 CB ASP A 143 20.482 4.804 17.381 1.00 0.00 C ATOM 320 CG ASP A 143 21.424 3.612 17.207 1.00 0.00 C ATOM 321 OD1 ASP A 143 20.999 2.501 17.479 1.00 0.00 O ATOM 322 OD2 ASP A 143 22.556 3.830 16.806 1.00 0.00 O ATOM 0 H ASP A 143 18.417 2.574 16.307 1.00 0.00 H new ATOM 0 HA ASP A 143 18.860 3.688 18.256 1.00 0.00 H new ATOM 0 HB2 ASP A 143 20.635 5.523 16.576 1.00 0.00 H new ATOM 0 HB3 ASP A 143 20.701 5.321 18.315 1.00 0.00 H new ATOM 327 N PHE A 144 16.821 5.291 17.182 1.00 0.00 N ATOM 328 CA PHE A 144 15.849 6.422 17.203 1.00 0.00 C ATOM 329 C PHE A 144 14.497 5.921 17.716 1.00 0.00 C ATOM 330 O PHE A 144 14.115 4.792 17.485 1.00 0.00 O ATOM 331 CB PHE A 144 15.684 6.977 15.787 1.00 0.00 C ATOM 332 CG PHE A 144 16.914 7.767 15.408 1.00 0.00 C ATOM 333 CD1 PHE A 144 17.089 9.067 15.895 1.00 0.00 C ATOM 334 CD2 PHE A 144 17.881 7.197 14.571 1.00 0.00 C ATOM 335 CE1 PHE A 144 18.231 9.798 15.545 1.00 0.00 C ATOM 336 CE2 PHE A 144 19.023 7.928 14.221 1.00 0.00 C ATOM 337 CZ PHE A 144 19.198 9.228 14.708 1.00 0.00 C ATOM 0 H PHE A 144 16.418 4.376 16.980 1.00 0.00 H new ATOM 0 HA PHE A 144 16.219 7.209 17.861 1.00 0.00 H new ATOM 0 HB2 PHE A 144 15.531 6.161 15.081 1.00 0.00 H new ATOM 0 HB3 PHE A 144 14.800 7.613 15.735 1.00 0.00 H new ATOM 0 HD1 PHE A 144 16.343 9.507 16.541 1.00 0.00 H new ATOM 0 HD2 PHE A 144 17.746 6.193 14.195 1.00 0.00 H new ATOM 0 HE1 PHE A 144 18.366 10.802 15.921 1.00 0.00 H new ATOM 0 HE2 PHE A 144 19.769 7.488 13.575 1.00 0.00 H new ATOM 0 HZ PHE A 144 20.079 9.792 14.438 1.00 0.00 H new ATOM 347 N ASN A 145 13.770 6.753 18.410 1.00 0.00 N ATOM 348 CA ASN A 145 12.444 6.323 18.937 1.00 0.00 C ATOM 349 C ASN A 145 11.334 6.909 18.061 1.00 0.00 C ATOM 350 O ASN A 145 11.487 7.957 17.466 1.00 0.00 O ATOM 351 CB ASN A 145 12.278 6.822 20.374 1.00 0.00 C ATOM 352 CG ASN A 145 12.111 8.343 20.372 1.00 0.00 C ATOM 353 OD1 ASN A 145 12.392 8.994 19.385 1.00 0.00 O ATOM 354 ND2 ASN A 145 11.665 8.940 21.442 1.00 0.00 N ATOM 0 H ASN A 145 14.037 7.712 18.635 1.00 0.00 H new ATOM 0 HA ASN A 145 12.383 5.235 18.923 1.00 0.00 H new ATOM 0 HB2 ASN A 145 11.410 6.351 20.835 1.00 0.00 H new ATOM 0 HB3 ASN A 145 13.147 6.542 20.970 1.00 0.00 H new ATOM 0 HD21 ASN A 145 11.552 9.954 21.451 1.00 0.00 H new ATOM 0 HD22 ASN A 145 11.429 8.393 22.270 1.00 0.00 H new ATOM 361 N GLY A 146 10.215 6.241 17.979 1.00 0.00 N ATOM 362 CA GLY A 146 9.097 6.760 17.143 1.00 0.00 C ATOM 363 C GLY A 146 7.807 6.021 17.504 1.00 0.00 C ATOM 364 O GLY A 146 7.770 5.229 18.424 1.00 0.00 O ATOM 0 H GLY A 146 10.028 5.359 18.455 1.00 0.00 H new ATOM 0 HA2 GLY A 146 8.973 7.831 17.306 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.324 6.622 16.086 1.00 0.00 H new ATOM 368 N VAL A 147 6.746 6.274 16.787 1.00 0.00 N ATOM 369 CA VAL A 147 5.460 5.586 17.091 1.00 0.00 C ATOM 370 C VAL A 147 4.882 4.995 15.803 1.00 0.00 C ATOM 371 O VAL A 147 5.103 5.504 14.722 1.00 0.00 O ATOM 372 CB VAL A 147 4.470 6.593 17.679 1.00 0.00 C ATOM 373 CG1 VAL A 147 3.135 5.896 17.952 1.00 0.00 C ATOM 374 CG2 VAL A 147 5.031 7.151 18.989 1.00 0.00 C ATOM 0 H VAL A 147 6.715 6.927 16.004 1.00 0.00 H new ATOM 0 HA VAL A 147 5.636 4.787 17.811 1.00 0.00 H new ATOM 0 HB VAL A 147 4.316 7.408 16.972 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.429 6.613 18.371 1.00 0.00 H new ATOM 0 HG12 VAL A 147 2.736 5.496 17.020 1.00 0.00 H new ATOM 0 HG13 VAL A 147 3.288 5.081 18.660 1.00 0.00 H new ATOM 0 HG21 VAL A 147 4.327 7.869 19.410 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.184 6.336 19.696 1.00 0.00 H new ATOM 0 HG23 VAL A 147 5.982 7.647 18.796 1.00 0.00 H new ATOM 384 N VAL A 148 4.145 3.924 15.907 1.00 0.00 N ATOM 385 CA VAL A 148 3.557 3.302 14.687 1.00 0.00 C ATOM 386 C VAL A 148 2.184 3.919 14.410 1.00 0.00 C ATOM 387 O VAL A 148 1.221 3.655 15.103 1.00 0.00 O ATOM 388 CB VAL A 148 3.410 1.793 14.905 1.00 0.00 C ATOM 389 CG1 VAL A 148 2.785 1.533 16.277 1.00 0.00 C ATOM 390 CG2 VAL A 148 2.513 1.201 13.815 1.00 0.00 C ATOM 0 H VAL A 148 3.924 3.452 16.784 1.00 0.00 H new ATOM 0 HA VAL A 148 4.211 3.482 13.834 1.00 0.00 H new ATOM 0 HB VAL A 148 4.393 1.324 14.859 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.681 0.459 16.432 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.425 1.951 17.054 1.00 0.00 H new ATOM 0 HG13 VAL A 148 1.803 2.004 16.325 1.00 0.00 H new ATOM 0 HG21 VAL A 148 2.410 0.127 13.972 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.530 1.670 13.858 1.00 0.00 H new ATOM 0 HG23 VAL A 148 2.960 1.383 12.838 1.00 0.00 H new ATOM 400 N GLU A 149 2.085 4.739 13.400 1.00 0.00 N ATOM 401 CA GLU A 149 0.775 5.371 13.078 1.00 0.00 C ATOM 402 C GLU A 149 -0.175 4.312 12.512 1.00 0.00 C ATOM 403 O GLU A 149 -1.359 4.319 12.782 1.00 0.00 O ATOM 404 CB GLU A 149 0.984 6.477 12.042 1.00 0.00 C ATOM 405 CG GLU A 149 1.953 7.522 12.599 1.00 0.00 C ATOM 406 CD GLU A 149 2.113 8.659 11.587 1.00 0.00 C ATOM 407 OE1 GLU A 149 1.681 8.486 10.459 1.00 0.00 O ATOM 408 OE2 GLU A 149 2.664 9.681 11.957 1.00 0.00 O ATOM 0 H GLU A 149 2.855 4.999 12.784 1.00 0.00 H new ATOM 0 HA GLU A 149 0.344 5.799 13.983 1.00 0.00 H new ATOM 0 HB2 GLU A 149 1.380 6.055 11.118 1.00 0.00 H new ATOM 0 HB3 GLU A 149 0.030 6.944 11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 149 1.579 7.913 13.545 1.00 0.00 H new ATOM 0 HG3 GLU A 149 2.921 7.064 12.804 1.00 0.00 H new ATOM 415 N GLU A 150 0.338 3.401 11.731 1.00 0.00 N ATOM 416 CA GLU A 150 -0.535 2.341 11.151 1.00 0.00 C ATOM 417 C GLU A 150 0.195 0.997 11.206 1.00 0.00 C ATOM 418 O GLU A 150 1.406 0.940 11.278 1.00 0.00 O ATOM 419 CB GLU A 150 -0.857 2.685 9.695 1.00 0.00 C ATOM 420 CG GLU A 150 -1.574 4.036 9.637 1.00 0.00 C ATOM 421 CD GLU A 150 -1.962 4.345 8.190 1.00 0.00 C ATOM 422 OE1 GLU A 150 -1.514 3.628 7.311 1.00 0.00 O ATOM 423 OE2 GLU A 150 -2.701 5.294 7.986 1.00 0.00 O ATOM 0 H GLU A 150 1.322 3.345 11.470 1.00 0.00 H new ATOM 0 HA GLU A 150 -1.461 2.278 11.723 1.00 0.00 H new ATOM 0 HB2 GLU A 150 0.060 2.722 9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -1.485 1.909 9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -2.463 4.015 10.267 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -0.926 4.821 10.027 1.00 0.00 H new ATOM 430 N VAL A 151 -0.532 -0.087 11.174 1.00 0.00 N ATOM 431 CA VAL A 151 0.124 -1.424 11.227 1.00 0.00 C ATOM 432 C VAL A 151 -0.432 -2.308 10.109 1.00 0.00 C ATOM 433 O VAL A 151 -1.570 -2.175 9.705 1.00 0.00 O ATOM 434 CB VAL A 151 -0.157 -2.077 12.581 1.00 0.00 C ATOM 435 CG1 VAL A 151 0.556 -3.429 12.652 1.00 0.00 C ATOM 436 CG2 VAL A 151 0.357 -1.169 13.701 1.00 0.00 C ATOM 0 H VAL A 151 -1.550 -0.104 11.114 1.00 0.00 H new ATOM 0 HA VAL A 151 1.200 -1.307 11.097 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.230 -2.226 12.698 1.00 0.00 H new ATOM 0 HG11 VAL A 151 0.356 -3.895 13.617 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.191 -4.075 11.854 1.00 0.00 H new ATOM 0 HG13 VAL A 151 1.630 -3.281 12.536 1.00 0.00 H new ATOM 0 HG21 VAL A 151 0.157 -1.634 14.667 1.00 0.00 H new ATOM 0 HG22 VAL A 151 1.431 -1.020 13.585 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -0.150 -0.206 13.650 1.00 0.00 H new ATOM 446 N ASP A 152 0.364 -3.213 9.607 1.00 0.00 N ATOM 447 CA ASP A 152 -0.118 -4.106 8.517 1.00 0.00 C ATOM 448 C ASP A 152 0.330 -5.542 8.798 1.00 0.00 C ATOM 449 O ASP A 152 1.395 -5.961 8.390 1.00 0.00 O ATOM 450 CB ASP A 152 0.467 -3.642 7.182 1.00 0.00 C ATOM 451 CG ASP A 152 -0.122 -2.280 6.812 1.00 0.00 C ATOM 452 OD1 ASP A 152 -1.160 -1.938 7.357 1.00 0.00 O ATOM 453 OD2 ASP A 152 0.472 -1.602 5.990 1.00 0.00 O ATOM 0 H ASP A 152 1.326 -3.372 9.905 1.00 0.00 H new ATOM 0 HA ASP A 152 -1.206 -4.067 8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 152 1.553 -3.573 7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 152 0.244 -4.370 6.402 1.00 0.00 H new ATOM 458 N TYR A 153 -0.473 -6.299 9.494 1.00 0.00 N ATOM 459 CA TYR A 153 -0.091 -7.707 9.801 1.00 0.00 C ATOM 460 C TYR A 153 -0.079 -8.526 8.509 1.00 0.00 C ATOM 461 O TYR A 153 0.752 -9.392 8.320 1.00 0.00 O ATOM 462 CB TYR A 153 -1.104 -8.309 10.777 1.00 0.00 C ATOM 463 CG TYR A 153 -1.102 -7.511 12.059 1.00 0.00 C ATOM 464 CD1 TYR A 153 -0.060 -7.671 12.980 1.00 0.00 C ATOM 465 CD2 TYR A 153 -2.140 -6.610 12.324 1.00 0.00 C ATOM 466 CE1 TYR A 153 -0.057 -6.930 14.168 1.00 0.00 C ATOM 467 CE2 TYR A 153 -2.137 -5.870 13.513 1.00 0.00 C ATOM 468 CZ TYR A 153 -1.095 -6.030 14.435 1.00 0.00 C ATOM 469 OH TYR A 153 -1.092 -5.301 15.606 1.00 0.00 O ATOM 0 H TYR A 153 -1.377 -6.004 9.863 1.00 0.00 H new ATOM 0 HA TYR A 153 0.902 -7.724 10.251 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -2.100 -8.303 10.334 1.00 0.00 H new ATOM 0 HB3 TYR A 153 -0.853 -9.349 10.983 1.00 0.00 H new ATOM 0 HD1 TYR A 153 0.741 -8.366 12.774 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -2.943 -6.486 11.612 1.00 0.00 H new ATOM 0 HE1 TYR A 153 0.747 -7.053 14.879 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -2.938 -5.176 13.719 1.00 0.00 H new ATOM 0 HH TYR A 153 -0.441 -4.572 15.536 1.00 0.00 H new ATOM 479 N GLU A 154 -0.994 -8.259 7.617 1.00 0.00 N ATOM 480 CA GLU A 154 -1.034 -9.022 6.338 1.00 0.00 C ATOM 481 C GLU A 154 0.247 -8.753 5.545 1.00 0.00 C ATOM 482 O GLU A 154 0.838 -9.650 4.977 1.00 0.00 O ATOM 483 CB GLU A 154 -2.245 -8.580 5.516 1.00 0.00 C ATOM 484 CG GLU A 154 -2.367 -9.459 4.270 1.00 0.00 C ATOM 485 CD GLU A 154 -3.511 -8.945 3.393 1.00 0.00 C ATOM 486 OE1 GLU A 154 -4.122 -7.959 3.770 1.00 0.00 O ATOM 487 OE2 GLU A 154 -3.757 -9.548 2.362 1.00 0.00 O ATOM 0 H GLU A 154 -1.715 -7.545 7.719 1.00 0.00 H new ATOM 0 HA GLU A 154 -1.112 -10.088 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -3.152 -8.655 6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -2.139 -7.534 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -1.432 -9.447 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -2.552 -10.494 4.559 1.00 0.00 H new ATOM 494 N LYS A 155 0.680 -7.523 5.501 1.00 0.00 N ATOM 495 CA LYS A 155 1.921 -7.197 4.744 1.00 0.00 C ATOM 496 C LYS A 155 3.134 -7.333 5.669 1.00 0.00 C ATOM 497 O LYS A 155 4.266 -7.198 5.248 1.00 0.00 O ATOM 498 CB LYS A 155 1.837 -5.762 4.222 1.00 0.00 C ATOM 499 CG LYS A 155 0.646 -5.636 3.268 1.00 0.00 C ATOM 500 CD LYS A 155 0.611 -4.225 2.678 1.00 0.00 C ATOM 501 CE LYS A 155 -0.629 -4.071 1.796 1.00 0.00 C ATOM 502 NZ LYS A 155 -0.328 -3.135 0.676 1.00 0.00 N ATOM 0 H LYS A 155 0.228 -6.730 5.956 1.00 0.00 H new ATOM 0 HA LYS A 155 2.025 -7.884 3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 155 1.726 -5.067 5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 155 2.760 -5.496 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 155 0.727 -6.374 2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -0.283 -5.842 3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 155 0.595 -3.485 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.512 -4.042 2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -0.931 -5.041 1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -1.464 -3.693 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -1.171 -3.030 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -0.059 -2.207 1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 0.456 -3.514 0.108 1.00 0.00 H new ATOM 516 N SER A 156 2.908 -7.601 6.928 1.00 0.00 N ATOM 517 CA SER A 156 4.048 -7.748 7.876 1.00 0.00 C ATOM 518 C SER A 156 4.912 -6.486 7.833 1.00 0.00 C ATOM 519 O SER A 156 6.111 -6.549 7.645 1.00 0.00 O ATOM 520 CB SER A 156 4.892 -8.959 7.477 1.00 0.00 C ATOM 521 OG SER A 156 4.156 -10.149 7.720 1.00 0.00 O ATOM 0 H SER A 156 1.983 -7.724 7.340 1.00 0.00 H new ATOM 0 HA SER A 156 3.664 -7.892 8.886 1.00 0.00 H new ATOM 0 HB2 SER A 156 5.164 -8.895 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 156 5.822 -8.971 8.046 1.00 0.00 H new ATOM 0 HG SER A 156 4.696 -10.926 7.463 1.00 0.00 H new ATOM 527 N ARG A 157 4.314 -5.339 8.007 1.00 0.00 N ATOM 528 CA ARG A 157 5.102 -4.074 7.976 1.00 0.00 C ATOM 529 C ARG A 157 4.515 -3.084 8.984 1.00 0.00 C ATOM 530 O ARG A 157 3.316 -2.996 9.155 1.00 0.00 O ATOM 531 CB ARG A 157 5.042 -3.469 6.572 1.00 0.00 C ATOM 532 CG ARG A 157 5.742 -4.404 5.583 1.00 0.00 C ATOM 533 CD ARG A 157 7.250 -4.383 5.841 1.00 0.00 C ATOM 534 NE ARG A 157 7.943 -5.185 4.795 1.00 0.00 N ATOM 535 CZ ARG A 157 8.729 -4.597 3.936 1.00 0.00 C ATOM 536 NH1 ARG A 157 9.906 -4.173 4.311 1.00 0.00 N ATOM 537 NH2 ARG A 157 8.340 -4.431 2.701 1.00 0.00 N ATOM 0 H ARG A 157 3.314 -5.223 8.169 1.00 0.00 H new ATOM 0 HA ARG A 157 6.139 -4.285 8.235 1.00 0.00 H new ATOM 0 HB2 ARG A 157 4.005 -3.318 6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 157 5.522 -2.490 6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 157 5.358 -5.418 5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 157 5.533 -4.091 4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.617 -3.357 5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.467 -4.789 6.829 1.00 0.00 H new ATOM 0 HE ARG A 157 7.803 -6.194 4.750 1.00 0.00 H new ATOM 0 HH11 ARG A 157 10.211 -4.302 5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 157 10.520 -3.713 3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 157 7.421 -4.761 2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 157 8.955 -3.971 2.030 1.00 0.00 H new ATOM 551 N LEU A 158 5.351 -2.339 9.654 1.00 0.00 N ATOM 552 CA LEU A 158 4.839 -1.357 10.651 1.00 0.00 C ATOM 553 C LEU A 158 5.096 0.064 10.149 1.00 0.00 C ATOM 554 O LEU A 158 6.184 0.394 9.720 1.00 0.00 O ATOM 555 CB LEU A 158 5.558 -1.560 11.986 1.00 0.00 C ATOM 556 CG LEU A 158 5.375 -3.006 12.450 1.00 0.00 C ATOM 557 CD1 LEU A 158 5.923 -3.157 13.871 1.00 0.00 C ATOM 558 CD2 LEU A 158 3.887 -3.360 12.438 1.00 0.00 C ATOM 0 H LEU A 158 6.366 -2.368 9.554 1.00 0.00 H new ATOM 0 HA LEU A 158 3.768 -1.507 10.787 1.00 0.00 H new ATOM 0 HB2 LEU A 158 6.619 -1.333 11.878 1.00 0.00 H new ATOM 0 HB3 LEU A 158 5.160 -0.874 12.734 1.00 0.00 H new ATOM 0 HG LEU A 158 5.913 -3.675 11.779 1.00 0.00 H new ATOM 0 HD11 LEU A 158 5.793 -4.187 14.203 1.00 0.00 H new ATOM 0 HD12 LEU A 158 6.983 -2.903 13.881 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.383 -2.489 14.542 1.00 0.00 H new ATOM 0 HD21 LEU A 158 3.755 -4.390 12.768 1.00 0.00 H new ATOM 0 HD22 LEU A 158 3.349 -2.692 13.110 1.00 0.00 H new ATOM 0 HD23 LEU A 158 3.495 -3.251 11.427 1.00 0.00 H new ATOM 570 N LYS A 159 4.106 0.911 10.205 1.00 0.00 N ATOM 571 CA LYS A 159 4.295 2.312 9.736 1.00 0.00 C ATOM 572 C LYS A 159 4.649 3.201 10.930 1.00 0.00 C ATOM 573 O LYS A 159 3.784 3.728 11.602 1.00 0.00 O ATOM 574 CB LYS A 159 3.002 2.815 9.092 1.00 0.00 C ATOM 575 CG LYS A 159 3.244 4.192 8.472 1.00 0.00 C ATOM 576 CD LYS A 159 1.925 4.749 7.935 1.00 0.00 C ATOM 577 CE LYS A 159 2.199 6.017 7.126 1.00 0.00 C ATOM 578 NZ LYS A 159 1.292 7.107 7.589 1.00 0.00 N ATOM 0 H LYS A 159 3.173 0.693 10.556 1.00 0.00 H new ATOM 0 HA LYS A 159 5.101 2.345 9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 159 2.667 2.114 8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 159 2.210 2.875 9.839 1.00 0.00 H new ATOM 0 HG2 LYS A 159 3.661 4.870 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 159 3.974 4.116 7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 159 1.432 4.005 7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 159 1.249 4.971 8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 159 3.239 6.320 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 159 2.042 5.825 6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 1.342 7.906 6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 0.315 6.752 7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 1.585 7.424 8.535 1.00 0.00 H new ATOM 592 N VAL A 160 5.914 3.368 11.202 1.00 0.00 N ATOM 593 CA VAL A 160 6.322 4.220 12.354 1.00 0.00 C ATOM 594 C VAL A 160 7.142 5.407 11.845 1.00 0.00 C ATOM 595 O VAL A 160 7.901 5.292 10.904 1.00 0.00 O ATOM 596 CB VAL A 160 7.168 3.394 13.325 1.00 0.00 C ATOM 597 CG1 VAL A 160 7.463 4.223 14.577 1.00 0.00 C ATOM 598 CG2 VAL A 160 6.401 2.130 13.722 1.00 0.00 C ATOM 0 H VAL A 160 6.682 2.951 10.676 1.00 0.00 H new ATOM 0 HA VAL A 160 5.433 4.586 12.868 1.00 0.00 H new ATOM 0 HB VAL A 160 8.105 3.115 12.843 1.00 0.00 H new ATOM 0 HG11 VAL A 160 8.066 3.635 15.269 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.008 5.124 14.297 1.00 0.00 H new ATOM 0 HG13 VAL A 160 6.525 4.501 15.058 1.00 0.00 H new ATOM 0 HG21 VAL A 160 7.003 1.541 14.414 1.00 0.00 H new ATOM 0 HG22 VAL A 160 5.464 2.409 14.204 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.189 1.538 12.831 1.00 0.00 H new ATOM 608 N SER A 161 6.997 6.549 12.463 1.00 0.00 N ATOM 609 CA SER A 161 7.769 7.742 12.013 1.00 0.00 C ATOM 610 C SER A 161 8.983 7.938 12.926 1.00 0.00 C ATOM 611 O SER A 161 8.949 7.617 14.097 1.00 0.00 O ATOM 612 CB SER A 161 6.876 8.982 12.082 1.00 0.00 C ATOM 613 OG SER A 161 5.761 8.811 11.219 1.00 0.00 O ATOM 0 H SER A 161 6.378 6.706 13.259 1.00 0.00 H new ATOM 0 HA SER A 161 8.105 7.592 10.987 1.00 0.00 H new ATOM 0 HB2 SER A 161 6.536 9.142 13.105 1.00 0.00 H new ATOM 0 HB3 SER A 161 7.442 9.867 11.792 1.00 0.00 H new ATOM 0 HG SER A 161 4.949 9.128 11.667 1.00 0.00 H new ATOM 619 N VAL A 162 10.056 8.459 12.397 1.00 0.00 N ATOM 620 CA VAL A 162 11.271 8.672 13.234 1.00 0.00 C ATOM 621 C VAL A 162 11.302 10.116 13.736 1.00 0.00 C ATOM 622 O VAL A 162 11.007 11.043 13.007 1.00 0.00 O ATOM 623 CB VAL A 162 12.522 8.402 12.398 1.00 0.00 C ATOM 624 CG1 VAL A 162 13.735 8.279 13.321 1.00 0.00 C ATOM 625 CG2 VAL A 162 12.343 7.103 11.613 1.00 0.00 C ATOM 0 H VAL A 162 10.144 8.746 11.422 1.00 0.00 H new ATOM 0 HA VAL A 162 11.245 7.991 14.084 1.00 0.00 H new ATOM 0 HB VAL A 162 12.678 9.226 11.702 1.00 0.00 H new ATOM 0 HG11 VAL A 162 14.627 8.086 12.725 1.00 0.00 H new ATOM 0 HG12 VAL A 162 13.864 9.207 13.878 1.00 0.00 H new ATOM 0 HG13 VAL A 162 13.580 7.456 14.018 1.00 0.00 H new ATOM 0 HG21 VAL A 162 13.236 6.912 11.017 1.00 0.00 H new ATOM 0 HG22 VAL A 162 12.186 6.277 12.307 1.00 0.00 H new ATOM 0 HG23 VAL A 162 11.479 7.192 10.954 1.00 0.00 H new ATOM 635 N SER A 163 11.662 10.316 14.973 1.00 0.00 N ATOM 636 CA SER A 163 11.717 11.701 15.517 1.00 0.00 C ATOM 637 C SER A 163 13.086 12.311 15.207 1.00 0.00 C ATOM 638 O SER A 163 13.982 12.297 16.027 1.00 0.00 O ATOM 639 CB SER A 163 11.506 11.664 17.032 1.00 0.00 C ATOM 640 OG SER A 163 10.133 11.440 17.314 1.00 0.00 O ATOM 0 H SER A 163 11.920 9.580 15.631 1.00 0.00 H new ATOM 0 HA SER A 163 10.935 12.305 15.058 1.00 0.00 H new ATOM 0 HB2 SER A 163 12.113 10.874 17.475 1.00 0.00 H new ATOM 0 HB3 SER A 163 11.831 12.604 17.478 1.00 0.00 H new ATOM 0 HG SER A 163 9.998 11.415 18.284 1.00 0.00 H new ATOM 692 N ARG A 167 13.303 16.789 10.978 1.00 0.00 N ATOM 693 CA ARG A 167 11.837 16.654 10.722 1.00 0.00 C ATOM 694 C ARG A 167 11.432 15.186 10.883 1.00 0.00 C ATOM 695 O ARG A 167 12.202 14.287 10.611 1.00 0.00 O ATOM 696 CB ARG A 167 11.513 17.124 9.298 1.00 0.00 C ATOM 697 CG ARG A 167 10.125 16.622 8.889 1.00 0.00 C ATOM 698 CD ARG A 167 9.829 17.059 7.452 1.00 0.00 C ATOM 699 NE ARG A 167 10.571 16.181 6.503 1.00 0.00 N ATOM 700 CZ ARG A 167 10.133 16.018 5.285 1.00 0.00 C ATOM 701 NH1 ARG A 167 10.466 16.868 4.352 1.00 0.00 N ATOM 702 NH2 ARG A 167 9.360 15.006 5.000 1.00 0.00 N ATOM 0 HA ARG A 167 11.285 17.268 11.434 1.00 0.00 H new ATOM 0 HB2 ARG A 167 11.545 18.212 9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 167 12.264 16.751 8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 167 10.082 15.536 8.967 1.00 0.00 H new ATOM 0 HG3 ARG A 167 9.368 17.020 9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 167 8.758 17.001 7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 167 10.124 18.099 7.309 1.00 0.00 H new ATOM 0 HE ARG A 167 11.422 15.707 6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 167 11.069 17.660 4.575 1.00 0.00 H new ATOM 0 HH12 ARG A 167 10.123 16.740 3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 167 9.098 14.343 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 167 9.017 14.878 4.048 1.00 0.00 H new ATOM 716 N ALA A 168 10.228 14.937 11.318 1.00 0.00 N ATOM 717 CA ALA A 168 9.776 13.527 11.490 1.00 0.00 C ATOM 718 C ALA A 168 9.814 12.814 10.136 1.00 0.00 C ATOM 719 O ALA A 168 9.525 13.397 9.109 1.00 0.00 O ATOM 720 CB ALA A 168 8.346 13.512 12.033 1.00 0.00 C ATOM 0 H ALA A 168 9.538 15.648 11.562 1.00 0.00 H new ATOM 0 HA ALA A 168 10.436 13.016 12.191 1.00 0.00 H new ATOM 0 HB1 ALA A 168 8.015 12.481 12.159 1.00 0.00 H new ATOM 0 HB2 ALA A 168 8.317 14.022 12.996 1.00 0.00 H new ATOM 0 HB3 ALA A 168 7.685 14.022 11.332 1.00 0.00 H new ATOM 726 N THR A 169 10.168 11.558 10.123 1.00 0.00 N ATOM 727 CA THR A 169 10.223 10.814 8.833 1.00 0.00 C ATOM 728 C THR A 169 9.382 9.541 8.940 1.00 0.00 C ATOM 729 O THR A 169 9.824 8.537 9.462 1.00 0.00 O ATOM 730 CB THR A 169 11.674 10.439 8.521 1.00 0.00 C ATOM 731 OG1 THR A 169 12.482 11.608 8.561 1.00 0.00 O ATOM 732 CG2 THR A 169 11.753 9.809 7.130 1.00 0.00 C ATOM 0 H THR A 169 10.421 11.016 10.949 1.00 0.00 H new ATOM 0 HA THR A 169 9.829 11.444 8.035 1.00 0.00 H new ATOM 0 HB THR A 169 12.032 9.723 9.261 1.00 0.00 H new ATOM 0 HG1 THR A 169 13.412 11.370 8.363 1.00 0.00 H new ATOM 0 HG21 THR A 169 12.787 9.543 6.909 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.133 8.913 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 169 11.396 10.522 6.387 1.00 0.00 H new ATOM 740 N PRO A 170 8.141 9.588 8.431 1.00 0.00 N ATOM 741 CA PRO A 170 7.230 8.437 8.466 1.00 0.00 C ATOM 742 C PRO A 170 7.686 7.325 7.518 1.00 0.00 C ATOM 743 O PRO A 170 7.527 7.416 6.317 1.00 0.00 O ATOM 744 CB PRO A 170 5.899 9.018 7.990 1.00 0.00 C ATOM 745 CG PRO A 170 6.279 10.201 7.165 1.00 0.00 C ATOM 746 CD PRO A 170 7.528 10.763 7.786 1.00 0.00 C ATOM 0 HA PRO A 170 7.181 7.983 9.456 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.336 8.291 7.405 1.00 0.00 H new ATOM 0 HB3 PRO A 170 5.269 9.307 8.831 1.00 0.00 H new ATOM 0 HG2 PRO A 170 6.456 9.912 6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 170 5.480 10.943 7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 170 8.188 11.201 7.037 1.00 0.00 H new ATOM 0 HD3 PRO A 170 7.301 11.547 8.509 1.00 0.00 H new ATOM 754 N VAL A 171 8.255 6.277 8.048 1.00 0.00 N ATOM 755 CA VAL A 171 8.723 5.163 7.178 1.00 0.00 C ATOM 756 C VAL A 171 8.180 3.835 7.711 1.00 0.00 C ATOM 757 O VAL A 171 7.780 3.730 8.853 1.00 0.00 O ATOM 758 CB VAL A 171 10.252 5.123 7.178 1.00 0.00 C ATOM 759 CG1 VAL A 171 10.798 6.499 6.793 1.00 0.00 C ATOM 760 CG2 VAL A 171 10.752 4.749 8.574 1.00 0.00 C ATOM 0 H VAL A 171 8.416 6.145 9.047 1.00 0.00 H new ATOM 0 HA VAL A 171 8.363 5.322 6.162 1.00 0.00 H new ATOM 0 HB VAL A 171 10.596 4.381 6.458 1.00 0.00 H new ATOM 0 HG11 VAL A 171 11.888 6.471 6.793 1.00 0.00 H new ATOM 0 HG12 VAL A 171 10.442 6.766 5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 171 10.454 7.241 7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 171 11.842 4.720 8.575 1.00 0.00 H new ATOM 0 HG22 VAL A 171 10.408 5.491 9.295 1.00 0.00 H new ATOM 0 HG23 VAL A 171 10.363 3.769 8.849 1.00 0.00 H new ATOM 770 N GLU A 172 8.164 2.819 6.891 1.00 0.00 N ATOM 771 CA GLU A 172 7.648 1.499 7.352 1.00 0.00 C ATOM 772 C GLU A 172 8.825 0.597 7.730 1.00 0.00 C ATOM 773 O GLU A 172 9.761 0.431 6.972 1.00 0.00 O ATOM 774 CB GLU A 172 6.845 0.844 6.227 1.00 0.00 C ATOM 775 CG GLU A 172 5.675 1.751 5.843 1.00 0.00 C ATOM 776 CD GLU A 172 4.859 1.089 4.730 1.00 0.00 C ATOM 777 OE1 GLU A 172 5.323 0.096 4.193 1.00 0.00 O ATOM 778 OE2 GLU A 172 3.786 1.586 4.433 1.00 0.00 O ATOM 0 H GLU A 172 8.485 2.846 5.923 1.00 0.00 H new ATOM 0 HA GLU A 172 7.005 1.643 8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 172 7.485 0.671 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 172 6.475 -0.129 6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.043 1.934 6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 172 6.047 2.720 5.509 1.00 0.00 H new ATOM 785 N LEU A 173 8.789 0.015 8.896 1.00 0.00 N ATOM 786 CA LEU A 173 9.907 -0.873 9.321 1.00 0.00 C ATOM 787 C LEU A 173 9.351 -2.242 9.715 1.00 0.00 C ATOM 788 O LEU A 173 8.260 -2.353 10.237 1.00 0.00 O ATOM 789 CB LEU A 173 10.624 -0.251 10.521 1.00 0.00 C ATOM 790 CG LEU A 173 11.267 1.072 10.102 1.00 0.00 C ATOM 791 CD1 LEU A 173 12.062 0.865 8.810 1.00 0.00 C ATOM 792 CD2 LEU A 173 10.176 2.118 9.866 1.00 0.00 C ATOM 0 H LEU A 173 8.033 0.116 9.574 1.00 0.00 H new ATOM 0 HA LEU A 173 10.610 -0.990 8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 173 9.917 -0.083 11.333 1.00 0.00 H new ATOM 0 HB3 LEU A 173 11.385 -0.934 10.897 1.00 0.00 H new ATOM 0 HG LEU A 173 11.936 1.417 10.891 1.00 0.00 H new ATOM 0 HD11 LEU A 173 12.521 1.807 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 173 12.840 0.120 8.977 1.00 0.00 H new ATOM 0 HD13 LEU A 173 11.392 0.521 8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 173 10.634 3.061 9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 173 9.507 1.774 9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 173 9.608 2.265 10.785 1.00 0.00 H new ATOM 804 N ASP A 174 10.093 -3.288 9.468 1.00 0.00 N ATOM 805 CA ASP A 174 9.606 -4.648 9.830 1.00 0.00 C ATOM 806 C ASP A 174 9.582 -4.793 11.353 1.00 0.00 C ATOM 807 O ASP A 174 10.085 -3.954 12.072 1.00 0.00 O ATOM 808 CB ASP A 174 10.543 -5.699 9.232 1.00 0.00 C ATOM 809 CG ASP A 174 10.470 -5.639 7.704 1.00 0.00 C ATOM 810 OD1 ASP A 174 9.534 -5.042 7.200 1.00 0.00 O ATOM 811 OD2 ASP A 174 11.352 -6.190 7.067 1.00 0.00 O ATOM 0 H ASP A 174 11.014 -3.258 9.032 1.00 0.00 H new ATOM 0 HA ASP A 174 8.600 -4.791 9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 174 11.566 -5.521 9.565 1.00 0.00 H new ATOM 0 HB3 ASP A 174 10.262 -6.693 9.581 1.00 0.00 H new ATOM 816 N PHE A 175 9.001 -5.851 11.850 1.00 0.00 N ATOM 817 CA PHE A 175 8.947 -6.045 13.326 1.00 0.00 C ATOM 818 C PHE A 175 10.365 -6.250 13.866 1.00 0.00 C ATOM 819 O PHE A 175 10.721 -5.739 14.909 1.00 0.00 O ATOM 820 CB PHE A 175 8.094 -7.275 13.650 1.00 0.00 C ATOM 821 CG PHE A 175 6.833 -7.256 12.815 1.00 0.00 C ATOM 822 CD1 PHE A 175 6.340 -6.045 12.313 1.00 0.00 C ATOM 823 CD2 PHE A 175 6.157 -8.452 12.545 1.00 0.00 C ATOM 824 CE1 PHE A 175 5.172 -6.031 11.542 1.00 0.00 C ATOM 825 CE2 PHE A 175 4.988 -8.437 11.774 1.00 0.00 C ATOM 826 CZ PHE A 175 4.496 -7.226 11.272 1.00 0.00 C ATOM 0 H PHE A 175 8.562 -6.588 11.298 1.00 0.00 H new ATOM 0 HA PHE A 175 8.505 -5.164 13.792 1.00 0.00 H new ATOM 0 HB2 PHE A 175 8.660 -8.185 13.450 1.00 0.00 H new ATOM 0 HB3 PHE A 175 7.840 -7.284 14.710 1.00 0.00 H new ATOM 0 HD1 PHE A 175 6.861 -5.122 12.521 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.537 -9.386 12.931 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.792 -5.097 11.155 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.466 -9.359 11.567 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.595 -7.214 10.677 1.00 0.00 H new ATOM 836 N SER A 176 11.174 -6.995 13.164 1.00 0.00 N ATOM 837 CA SER A 176 12.567 -7.230 13.638 1.00 0.00 C ATOM 838 C SER A 176 13.410 -5.977 13.388 1.00 0.00 C ATOM 839 O SER A 176 14.358 -5.704 14.096 1.00 0.00 O ATOM 840 CB SER A 176 13.171 -8.413 12.876 1.00 0.00 C ATOM 841 OG SER A 176 13.382 -8.045 11.521 1.00 0.00 O ATOM 0 H SER A 176 10.931 -7.450 12.284 1.00 0.00 H new ATOM 0 HA SER A 176 12.556 -7.452 14.705 1.00 0.00 H new ATOM 0 HB2 SER A 176 14.114 -8.711 13.334 1.00 0.00 H new ATOM 0 HB3 SER A 176 12.504 -9.273 12.931 1.00 0.00 H new ATOM 0 HG SER A 176 13.770 -8.801 11.033 1.00 0.00 H new ATOM 847 N GLN A 177 13.070 -5.213 12.386 1.00 0.00 N ATOM 848 CA GLN A 177 13.851 -3.979 12.093 1.00 0.00 C ATOM 849 C GLN A 177 13.684 -2.985 13.245 1.00 0.00 C ATOM 850 O GLN A 177 14.513 -2.123 13.459 1.00 0.00 O ATOM 851 CB GLN A 177 13.339 -3.347 10.796 1.00 0.00 C ATOM 852 CG GLN A 177 13.806 -4.185 9.604 1.00 0.00 C ATOM 853 CD GLN A 177 13.255 -3.582 8.310 1.00 0.00 C ATOM 854 OE1 GLN A 177 12.392 -2.728 8.343 1.00 0.00 O ATOM 855 NE2 GLN A 177 13.721 -3.994 7.162 1.00 0.00 N ATOM 0 H GLN A 177 12.286 -5.390 11.758 1.00 0.00 H new ATOM 0 HA GLN A 177 14.905 -4.234 11.982 1.00 0.00 H new ATOM 0 HB2 GLN A 177 12.251 -3.291 10.811 1.00 0.00 H new ATOM 0 HB3 GLN A 177 13.710 -2.326 10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 177 14.895 -4.213 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 177 13.464 -5.214 9.713 1.00 0.00 H new ATOM 0 HE21 GLN A 177 14.446 -4.711 7.134 1.00 0.00 H new ATOM 0 HE22 GLN A 177 13.360 -3.599 6.294 1.00 0.00 H new ATOM 864 N VAL A 178 12.619 -3.100 13.990 1.00 0.00 N ATOM 865 CA VAL A 178 12.400 -2.164 15.128 1.00 0.00 C ATOM 866 C VAL A 178 12.068 -2.964 16.389 1.00 0.00 C ATOM 867 O VAL A 178 11.741 -4.133 16.325 1.00 0.00 O ATOM 868 CB VAL A 178 11.239 -1.223 14.801 1.00 0.00 C ATOM 869 CG1 VAL A 178 11.490 -0.555 13.447 1.00 0.00 C ATOM 870 CG2 VAL A 178 9.936 -2.023 14.741 1.00 0.00 C ATOM 0 H VAL A 178 11.891 -3.802 13.859 1.00 0.00 H new ATOM 0 HA VAL A 178 13.304 -1.579 15.295 1.00 0.00 H new ATOM 0 HB VAL A 178 11.161 -0.459 15.574 1.00 0.00 H new ATOM 0 HG11 VAL A 178 10.663 0.116 13.213 1.00 0.00 H new ATOM 0 HG12 VAL A 178 12.418 0.015 13.489 1.00 0.00 H new ATOM 0 HG13 VAL A 178 11.567 -1.319 12.673 1.00 0.00 H new ATOM 0 HG21 VAL A 178 9.108 -1.353 14.508 1.00 0.00 H new ATOM 0 HG22 VAL A 178 10.013 -2.787 13.967 1.00 0.00 H new ATOM 0 HG23 VAL A 178 9.757 -2.500 15.705 1.00 0.00 H new ATOM 880 N GLU A 179 12.151 -2.346 17.535 1.00 0.00 N ATOM 881 CA GLU A 179 11.840 -3.074 18.797 1.00 0.00 C ATOM 882 C GLU A 179 10.667 -2.394 19.504 1.00 0.00 C ATOM 883 O GLU A 179 10.545 -1.185 19.505 1.00 0.00 O ATOM 884 CB GLU A 179 13.067 -3.056 19.711 1.00 0.00 C ATOM 885 CG GLU A 179 14.283 -3.572 18.941 1.00 0.00 C ATOM 886 CD GLU A 179 15.478 -3.685 19.890 1.00 0.00 C ATOM 887 OE1 GLU A 179 15.400 -3.135 20.977 1.00 0.00 O ATOM 888 OE2 GLU A 179 16.450 -4.318 19.514 1.00 0.00 O ATOM 0 H GLU A 179 12.421 -1.369 17.652 1.00 0.00 H new ATOM 0 HA GLU A 179 11.574 -4.105 18.565 1.00 0.00 H new ATOM 0 HB2 GLU A 179 13.253 -2.043 20.069 1.00 0.00 H new ATOM 0 HB3 GLU A 179 12.889 -3.677 20.589 1.00 0.00 H new ATOM 0 HG2 GLU A 179 14.062 -4.544 18.500 1.00 0.00 H new ATOM 0 HG3 GLU A 179 14.520 -2.896 18.119 1.00 0.00 H new ATOM 895 N LYS A 180 9.800 -3.161 20.108 1.00 0.00 N ATOM 896 CA LYS A 180 8.635 -2.558 20.815 1.00 0.00 C ATOM 897 C LYS A 180 9.133 -1.677 21.961 1.00 0.00 C ATOM 898 O LYS A 180 10.008 -2.056 22.715 1.00 0.00 O ATOM 899 CB LYS A 180 7.747 -3.670 21.377 1.00 0.00 C ATOM 900 CG LYS A 180 6.385 -3.091 21.764 1.00 0.00 C ATOM 901 CD LYS A 180 5.571 -4.155 22.504 1.00 0.00 C ATOM 902 CE LYS A 180 5.149 -5.249 21.521 1.00 0.00 C ATOM 903 NZ LYS A 180 4.709 -6.454 22.278 1.00 0.00 N ATOM 0 H LYS A 180 9.849 -4.179 20.142 1.00 0.00 H new ATOM 0 HA LYS A 180 8.060 -1.952 20.114 1.00 0.00 H new ATOM 0 HB2 LYS A 180 7.621 -4.459 20.635 1.00 0.00 H new ATOM 0 HB3 LYS A 180 8.221 -4.124 22.247 1.00 0.00 H new ATOM 0 HG2 LYS A 180 6.517 -2.213 22.397 1.00 0.00 H new ATOM 0 HG3 LYS A 180 5.850 -2.763 20.872 1.00 0.00 H new ATOM 0 HD2 LYS A 180 6.164 -4.585 23.311 1.00 0.00 H new ATOM 0 HD3 LYS A 180 4.691 -3.702 22.961 1.00 0.00 H new ATOM 0 HE2 LYS A 180 4.339 -4.890 20.886 1.00 0.00 H new ATOM 0 HE3 LYS A 180 5.981 -5.503 20.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 4.422 -7.198 21.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 5.494 -6.800 22.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 3.903 -6.206 22.887 1.00 0.00 H new ATOM 917 N ALA A 181 8.584 -0.500 22.101 1.00 0.00 N ATOM 918 CA ALA A 181 9.029 0.404 23.199 1.00 0.00 C ATOM 919 C ALA A 181 8.104 0.231 24.406 1.00 0.00 C ATOM 920 O ALA A 181 8.170 0.977 25.363 1.00 0.00 O ATOM 921 CB ALA A 181 8.974 1.856 22.718 1.00 0.00 C ATOM 0 H ALA A 181 7.847 -0.126 21.503 1.00 0.00 H new ATOM 0 HA ALA A 181 10.051 0.155 23.485 1.00 0.00 H new ATOM 0 HB1 ALA A 181 9.299 2.518 23.521 1.00 0.00 H new ATOM 0 HB2 ALA A 181 9.631 1.979 21.857 1.00 0.00 H new ATOM 0 HB3 ALA A 181 7.952 2.106 22.433 1.00 0.00 H new