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 -114:sc= -0.0677 (180deg=-0.632) USER MOD Single : A 137 ASN : amide:sc= -1.44! C(o=-1.4!,f=-7.7!) USER MOD Single : A 145 ASN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 153 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ -167:sc=-0.000584 (180deg=-0.2) USER MOD Single : A 161 SER OG : rot -92:sc= 1.06 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= 0.136 K(o=0.14,f=-7.8!) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PHE A 128 1.831 -4.705 18.509 1.00 0.00 N ATOM 95 CA PHE A 128 2.006 -3.250 18.248 1.00 0.00 C ATOM 96 C PHE A 128 0.641 -2.610 17.990 1.00 0.00 C ATOM 97 O PHE A 128 -0.184 -3.150 17.280 1.00 0.00 O ATOM 98 CB PHE A 128 2.902 -3.055 17.023 1.00 0.00 C ATOM 99 CG PHE A 128 4.247 -3.691 17.278 1.00 0.00 C ATOM 100 CD1 PHE A 128 5.245 -2.973 17.946 1.00 0.00 C ATOM 101 CD2 PHE A 128 4.497 -4.999 16.845 1.00 0.00 C ATOM 102 CE1 PHE A 128 6.494 -3.563 18.183 1.00 0.00 C ATOM 103 CE2 PHE A 128 5.744 -5.589 17.082 1.00 0.00 C ATOM 104 CZ PHE A 128 6.743 -4.870 17.750 1.00 0.00 C ATOM 0 HA PHE A 128 2.469 -2.779 19.115 1.00 0.00 H new ATOM 0 HB2 PHE A 128 2.437 -3.502 16.144 1.00 0.00 H new ATOM 0 HB3 PHE A 128 3.024 -1.992 16.814 1.00 0.00 H new ATOM 0 HD1 PHE A 128 5.053 -1.964 18.279 1.00 0.00 H new ATOM 0 HD2 PHE A 128 3.727 -5.553 16.328 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.264 -3.009 18.700 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.936 -6.599 16.750 1.00 0.00 H new ATOM 0 HZ PHE A 128 7.706 -5.324 17.931 1.00 0.00 H new ATOM 114 N GLU A 129 0.395 -1.462 18.561 1.00 0.00 N ATOM 115 CA GLU A 129 -0.918 -0.790 18.348 1.00 0.00 C ATOM 116 C GLU A 129 -0.687 0.686 18.013 1.00 0.00 C ATOM 117 O GLU A 129 0.103 1.357 18.646 1.00 0.00 O ATOM 118 CB GLU A 129 -1.760 -0.899 19.620 1.00 0.00 C ATOM 119 CG GLU A 129 -1.165 0.002 20.704 1.00 0.00 C ATOM 120 CD GLU A 129 -1.970 -0.155 21.996 1.00 0.00 C ATOM 121 OE1 GLU A 129 -3.186 -0.220 21.909 1.00 0.00 O ATOM 122 OE2 GLU A 129 -1.359 -0.206 23.050 1.00 0.00 O ATOM 0 H GLU A 129 1.046 -0.961 19.165 1.00 0.00 H new ATOM 0 HA GLU A 129 -1.443 -1.272 17.523 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -2.790 -0.606 19.414 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -1.785 -1.933 19.965 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -0.122 -0.261 20.879 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -1.181 1.042 20.377 1.00 0.00 H new ATOM 129 N PRO A 130 -1.395 1.194 16.995 1.00 0.00 N ATOM 130 CA PRO A 130 -1.271 2.594 16.568 1.00 0.00 C ATOM 131 C PRO A 130 -1.031 3.531 17.757 1.00 0.00 C ATOM 132 O PRO A 130 -1.722 3.471 18.754 1.00 0.00 O ATOM 133 CB PRO A 130 -2.625 2.897 15.928 1.00 0.00 C ATOM 134 CG PRO A 130 -3.567 1.934 16.569 1.00 0.00 C ATOM 135 CD PRO A 130 -2.771 0.689 16.843 1.00 0.00 C ATOM 0 HA PRO A 130 -0.426 2.743 15.896 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -2.928 3.928 16.110 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.592 2.760 14.847 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.976 2.345 17.492 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -4.411 1.720 15.913 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -3.115 0.181 17.744 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.849 -0.027 16.025 1.00 0.00 H new ATOM 143 N GLY A 131 -0.057 4.394 17.657 1.00 0.00 N ATOM 144 CA GLY A 131 0.226 5.331 18.780 1.00 0.00 C ATOM 145 C GLY A 131 1.250 4.702 19.727 1.00 0.00 C ATOM 146 O GLY A 131 1.694 5.319 20.675 1.00 0.00 O ATOM 0 H GLY A 131 0.555 4.490 16.846 1.00 0.00 H new ATOM 0 HA2 GLY A 131 0.607 6.276 18.392 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -0.694 5.556 19.320 1.00 0.00 H new ATOM 150 N GLU A 132 1.630 3.478 19.481 1.00 0.00 N ATOM 151 CA GLU A 132 2.626 2.813 20.368 1.00 0.00 C ATOM 152 C GLU A 132 4.039 3.213 19.941 1.00 0.00 C ATOM 153 O GLU A 132 4.333 3.335 18.768 1.00 0.00 O ATOM 154 CB GLU A 132 2.471 1.295 20.260 1.00 0.00 C ATOM 155 CG GLU A 132 3.403 0.614 21.265 1.00 0.00 C ATOM 156 CD GLU A 132 2.890 0.864 22.685 1.00 0.00 C ATOM 157 OE1 GLU A 132 1.713 1.145 22.827 1.00 0.00 O ATOM 158 OE2 GLU A 132 3.685 0.768 23.606 1.00 0.00 O ATOM 0 H GLU A 132 1.294 2.910 18.704 1.00 0.00 H new ATOM 0 HA GLU A 132 2.458 3.124 21.399 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.437 1.010 20.455 1.00 0.00 H new ATOM 0 HB3 GLU A 132 2.707 0.966 19.248 1.00 0.00 H new ATOM 0 HG2 GLU A 132 3.450 -0.457 21.067 1.00 0.00 H new ATOM 0 HG3 GLU A 132 4.416 1.002 21.159 1.00 0.00 H new ATOM 165 N MET A 133 4.919 3.417 20.883 1.00 0.00 N ATOM 166 CA MET A 133 6.312 3.807 20.530 1.00 0.00 C ATOM 167 C MET A 133 7.106 2.560 20.139 1.00 0.00 C ATOM 168 O MET A 133 6.849 1.473 20.617 1.00 0.00 O ATOM 169 CB MET A 133 6.977 4.476 21.735 1.00 0.00 C ATOM 170 CG MET A 133 6.299 5.821 22.010 1.00 0.00 C ATOM 171 SD MET A 133 7.203 6.698 23.310 1.00 0.00 S ATOM 172 CE MET A 133 8.602 7.230 22.293 1.00 0.00 C ATOM 0 H MET A 133 4.733 3.330 21.882 1.00 0.00 H new ATOM 0 HA MET A 133 6.292 4.504 19.693 1.00 0.00 H new ATOM 0 HB2 MET A 133 6.900 3.832 22.611 1.00 0.00 H new ATOM 0 HB3 MET A 133 8.039 4.625 21.542 1.00 0.00 H new ATOM 0 HG2 MET A 133 6.275 6.421 21.100 1.00 0.00 H new ATOM 0 HG3 MET A 133 5.264 5.663 22.315 1.00 0.00 H new ATOM 0 HE1 MET A 133 9.510 6.735 22.636 1.00 0.00 H new ATOM 0 HE2 MET A 133 8.416 6.966 21.252 1.00 0.00 H new ATOM 0 HE3 MET A 133 8.724 8.310 22.378 1.00 0.00 H new ATOM 182 N VAL A 134 8.072 2.706 19.273 1.00 0.00 N ATOM 183 CA VAL A 134 8.882 1.529 18.852 1.00 0.00 C ATOM 184 C VAL A 134 10.364 1.911 18.839 1.00 0.00 C ATOM 185 O VAL A 134 10.725 3.035 19.124 1.00 0.00 O ATOM 186 CB VAL A 134 8.455 1.090 17.449 1.00 0.00 C ATOM 187 CG1 VAL A 134 8.881 -0.360 17.215 1.00 0.00 C ATOM 188 CG2 VAL A 134 6.934 1.204 17.320 1.00 0.00 C ATOM 0 H VAL A 134 8.335 3.591 18.839 1.00 0.00 H new ATOM 0 HA VAL A 134 8.723 0.709 19.552 1.00 0.00 H new ATOM 0 HB VAL A 134 8.931 1.731 16.707 1.00 0.00 H new ATOM 0 HG11 VAL A 134 8.577 -0.672 16.216 1.00 0.00 H new ATOM 0 HG12 VAL A 134 9.964 -0.440 17.306 1.00 0.00 H new ATOM 0 HG13 VAL A 134 8.406 -1.003 17.956 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.629 0.892 16.321 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.457 0.564 18.062 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.631 2.238 17.485 1.00 0.00 H new ATOM 198 N ARG A 135 11.223 0.986 18.509 1.00 0.00 N ATOM 199 CA ARG A 135 12.679 1.300 18.479 1.00 0.00 C ATOM 200 C ARG A 135 13.288 0.771 17.179 1.00 0.00 C ATOM 201 O ARG A 135 12.876 -0.246 16.658 1.00 0.00 O ATOM 202 CB ARG A 135 13.369 0.634 19.672 1.00 0.00 C ATOM 203 CG ARG A 135 12.845 1.247 20.972 1.00 0.00 C ATOM 204 CD ARG A 135 13.562 0.607 22.162 1.00 0.00 C ATOM 205 NE ARG A 135 12.909 1.042 23.428 1.00 0.00 N ATOM 206 CZ ARG A 135 13.509 0.850 24.571 1.00 0.00 C ATOM 207 NH1 ARG A 135 13.348 -0.275 25.212 1.00 0.00 N ATOM 208 NH2 ARG A 135 14.272 1.783 25.072 1.00 0.00 N ATOM 0 H ARG A 135 10.980 0.027 18.259 1.00 0.00 H new ATOM 0 HA ARG A 135 12.819 2.380 18.534 1.00 0.00 H new ATOM 0 HB2 ARG A 135 13.181 -0.440 19.662 1.00 0.00 H new ATOM 0 HB3 ARG A 135 14.448 0.769 19.603 1.00 0.00 H new ATOM 0 HG2 ARG A 135 13.010 2.324 20.971 1.00 0.00 H new ATOM 0 HG3 ARG A 135 11.770 1.089 21.054 1.00 0.00 H new ATOM 0 HD2 ARG A 135 13.530 -0.479 22.078 1.00 0.00 H new ATOM 0 HD3 ARG A 135 14.613 0.895 22.165 1.00 0.00 H new ATOM 0 HE ARG A 135 11.993 1.490 23.402 1.00 0.00 H new ATOM 0 HH11 ARG A 135 12.753 -1.005 24.820 1.00 0.00 H new ATOM 0 HH12 ARG A 135 13.817 -0.425 26.105 1.00 0.00 H new ATOM 0 HH21 ARG A 135 14.399 2.662 24.570 1.00 0.00 H new ATOM 0 HH22 ARG A 135 14.741 1.633 25.965 1.00 0.00 H new ATOM 222 N VAL A 136 14.267 1.454 16.651 1.00 0.00 N ATOM 223 CA VAL A 136 14.901 0.989 15.385 1.00 0.00 C ATOM 224 C VAL A 136 16.339 0.548 15.668 1.00 0.00 C ATOM 225 O VAL A 136 17.104 1.255 16.293 1.00 0.00 O ATOM 226 CB VAL A 136 14.909 2.133 14.369 1.00 0.00 C ATOM 227 CG1 VAL A 136 15.457 1.625 13.033 1.00 0.00 C ATOM 228 CG2 VAL A 136 13.482 2.650 14.172 1.00 0.00 C ATOM 0 H VAL A 136 14.655 2.313 17.041 1.00 0.00 H new ATOM 0 HA VAL A 136 14.336 0.149 14.982 1.00 0.00 H new ATOM 0 HB VAL A 136 15.541 2.941 14.737 1.00 0.00 H new ATOM 0 HG11 VAL A 136 15.463 2.440 12.309 1.00 0.00 H new ATOM 0 HG12 VAL A 136 16.473 1.257 13.173 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.826 0.817 12.665 1.00 0.00 H new ATOM 0 HG21 VAL A 136 13.487 3.465 13.448 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.850 1.842 13.804 1.00 0.00 H new ATOM 0 HG23 VAL A 136 13.092 3.012 15.123 1.00 0.00 H new ATOM 238 N ASN A 137 16.713 -0.617 15.214 1.00 0.00 N ATOM 239 CA ASN A 137 18.100 -1.101 15.459 1.00 0.00 C ATOM 240 C ASN A 137 18.774 -1.420 14.123 1.00 0.00 C ATOM 241 O ASN A 137 19.752 -2.139 14.065 1.00 0.00 O ATOM 242 CB ASN A 137 18.055 -2.363 16.321 1.00 0.00 C ATOM 243 CG ASN A 137 17.280 -3.458 15.584 1.00 0.00 C ATOM 244 OD1 ASN A 137 17.047 -3.357 14.396 1.00 0.00 O ATOM 245 ND2 ASN A 137 16.868 -4.506 16.244 1.00 0.00 N ATOM 0 H ASN A 137 16.118 -1.254 14.684 1.00 0.00 H new ATOM 0 HA ASN A 137 18.668 -0.327 15.976 1.00 0.00 H new ATOM 0 HB2 ASN A 137 19.067 -2.703 16.539 1.00 0.00 H new ATOM 0 HB3 ASN A 137 17.579 -2.146 17.277 1.00 0.00 H new ATOM 0 HD21 ASN A 137 16.350 -5.241 15.762 1.00 0.00 H new ATOM 0 HD22 ASN A 137 17.064 -4.590 17.241 1.00 0.00 H new ATOM 252 N ASP A 138 18.258 -0.891 13.046 1.00 0.00 N ATOM 253 CA ASP A 138 18.870 -1.165 11.715 1.00 0.00 C ATOM 254 C ASP A 138 18.509 -0.039 10.746 1.00 0.00 C ATOM 255 O ASP A 138 17.477 0.592 10.869 1.00 0.00 O ATOM 256 CB ASP A 138 18.339 -2.493 11.172 1.00 0.00 C ATOM 257 CG ASP A 138 19.148 -2.901 9.940 1.00 0.00 C ATOM 258 OD1 ASP A 138 20.108 -2.214 9.632 1.00 0.00 O ATOM 259 OD2 ASP A 138 18.795 -3.894 9.324 1.00 0.00 O ATOM 0 H ASP A 138 17.440 -0.282 13.031 1.00 0.00 H new ATOM 0 HA ASP A 138 19.953 -1.222 11.819 1.00 0.00 H new ATOM 0 HB2 ASP A 138 18.409 -3.265 11.938 1.00 0.00 H new ATOM 0 HB3 ASP A 138 17.285 -2.396 10.912 1.00 0.00 H new ATOM 264 N GLY A 139 19.351 0.221 9.783 1.00 0.00 N ATOM 265 CA GLY A 139 19.054 1.307 8.807 1.00 0.00 C ATOM 266 C GLY A 139 19.458 2.656 9.407 1.00 0.00 C ATOM 267 O GLY A 139 19.668 2.778 10.598 1.00 0.00 O ATOM 0 H GLY A 139 20.231 -0.272 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.596 1.133 7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 139 17.992 1.309 8.561 1.00 0.00 H new ATOM 271 N PRO A 140 19.566 3.688 8.558 1.00 0.00 N ATOM 272 CA PRO A 140 19.944 5.038 8.997 1.00 0.00 C ATOM 273 C PRO A 140 19.036 5.545 10.121 1.00 0.00 C ATOM 274 O PRO A 140 19.409 6.407 10.892 1.00 0.00 O ATOM 275 CB PRO A 140 19.749 5.890 7.743 1.00 0.00 C ATOM 276 CG PRO A 140 18.738 5.147 6.937 1.00 0.00 C ATOM 277 CD PRO A 140 18.972 3.689 7.210 1.00 0.00 C ATOM 0 HA PRO A 140 20.958 5.070 9.396 1.00 0.00 H new ATOM 0 HB2 PRO A 140 19.398 6.891 7.994 1.00 0.00 H new ATOM 0 HB3 PRO A 140 20.684 6.008 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 140 17.726 5.438 7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.849 5.367 5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 140 18.043 3.120 7.179 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.643 3.245 6.475 1.00 0.00 H new ATOM 285 N PHE A 141 17.846 5.019 10.218 1.00 0.00 N ATOM 286 CA PHE A 141 16.916 5.472 11.290 1.00 0.00 C ATOM 287 C PHE A 141 17.174 4.662 12.562 1.00 0.00 C ATOM 288 O PHE A 141 16.409 4.711 13.506 1.00 0.00 O ATOM 289 CB PHE A 141 15.470 5.263 10.836 1.00 0.00 C ATOM 290 CG PHE A 141 15.202 6.100 9.609 1.00 0.00 C ATOM 291 CD1 PHE A 141 14.863 7.452 9.745 1.00 0.00 C ATOM 292 CD2 PHE A 141 15.290 5.526 8.336 1.00 0.00 C ATOM 293 CE1 PHE A 141 14.612 8.229 8.608 1.00 0.00 C ATOM 294 CE2 PHE A 141 15.040 6.303 7.198 1.00 0.00 C ATOM 295 CZ PHE A 141 14.701 7.654 7.334 1.00 0.00 C ATOM 0 H PHE A 141 17.478 4.295 9.601 1.00 0.00 H new ATOM 0 HA PHE A 141 17.082 6.530 11.492 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.295 4.210 10.616 1.00 0.00 H new ATOM 0 HB3 PHE A 141 14.783 5.540 11.636 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.795 7.895 10.727 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.551 4.483 8.231 1.00 0.00 H new ATOM 0 HE1 PHE A 141 14.350 9.271 8.713 1.00 0.00 H new ATOM 0 HE2 PHE A 141 15.109 5.860 6.216 1.00 0.00 H new ATOM 0 HZ PHE A 141 14.508 8.253 6.456 1.00 0.00 H new ATOM 305 N ALA A 142 18.243 3.916 12.595 1.00 0.00 N ATOM 306 CA ALA A 142 18.548 3.102 13.805 1.00 0.00 C ATOM 307 C ALA A 142 18.952 4.028 14.955 1.00 0.00 C ATOM 308 O ALA A 142 19.487 5.098 14.744 1.00 0.00 O ATOM 309 CB ALA A 142 19.696 2.140 13.497 1.00 0.00 C ATOM 0 H ALA A 142 18.919 3.835 11.836 1.00 0.00 H new ATOM 0 HA ALA A 142 17.664 2.532 14.091 1.00 0.00 H new ATOM 0 HB1 ALA A 142 19.919 1.545 14.382 1.00 0.00 H new ATOM 0 HB2 ALA A 142 19.408 1.480 12.679 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.580 2.709 13.210 1.00 0.00 H new ATOM 315 N ASP A 143 18.701 3.624 16.170 1.00 0.00 N ATOM 316 CA ASP A 143 19.072 4.480 17.332 1.00 0.00 C ATOM 317 C ASP A 143 18.089 5.646 17.442 1.00 0.00 C ATOM 318 O ASP A 143 18.424 6.710 17.924 1.00 0.00 O ATOM 319 CB ASP A 143 20.488 5.024 17.133 1.00 0.00 C ATOM 320 CG ASP A 143 21.082 5.408 18.490 1.00 0.00 C ATOM 321 OD1 ASP A 143 20.408 5.212 19.487 1.00 0.00 O ATOM 322 OD2 ASP A 143 22.203 5.891 18.508 1.00 0.00 O ATOM 0 H ASP A 143 18.255 2.738 16.408 1.00 0.00 H new ATOM 0 HA ASP A 143 19.035 3.887 18.246 1.00 0.00 H new ATOM 0 HB2 ASP A 143 21.113 4.273 16.650 1.00 0.00 H new ATOM 0 HB3 ASP A 143 20.466 5.892 16.475 1.00 0.00 H new ATOM 327 N PHE A 144 16.876 5.457 17.000 1.00 0.00 N ATOM 328 CA PHE A 144 15.873 6.555 17.081 1.00 0.00 C ATOM 329 C PHE A 144 14.545 6.000 17.599 1.00 0.00 C ATOM 330 O PHE A 144 14.133 4.914 17.238 1.00 0.00 O ATOM 331 CB PHE A 144 15.667 7.161 15.691 1.00 0.00 C ATOM 332 CG PHE A 144 16.917 7.897 15.271 1.00 0.00 C ATOM 333 CD1 PHE A 144 17.096 9.236 15.637 1.00 0.00 C ATOM 334 CD2 PHE A 144 17.896 7.240 14.517 1.00 0.00 C ATOM 335 CE1 PHE A 144 18.256 9.919 15.247 1.00 0.00 C ATOM 336 CE2 PHE A 144 19.056 7.922 14.128 1.00 0.00 C ATOM 337 CZ PHE A 144 19.235 9.262 14.494 1.00 0.00 C ATOM 0 H PHE A 144 16.536 4.589 16.586 1.00 0.00 H new ATOM 0 HA PHE A 144 16.233 7.325 17.763 1.00 0.00 H new ATOM 0 HB2 PHE A 144 15.436 6.376 14.971 1.00 0.00 H new ATOM 0 HB3 PHE A 144 14.817 7.843 15.703 1.00 0.00 H new ATOM 0 HD1 PHE A 144 16.341 9.743 16.220 1.00 0.00 H new ATOM 0 HD2 PHE A 144 17.757 6.207 14.235 1.00 0.00 H new ATOM 0 HE1 PHE A 144 18.394 10.953 15.528 1.00 0.00 H new ATOM 0 HE2 PHE A 144 19.812 7.415 13.546 1.00 0.00 H new ATOM 0 HZ PHE A 144 20.129 9.788 14.195 1.00 0.00 H new ATOM 347 N ASN A 145 13.872 6.735 18.441 1.00 0.00 N ATOM 348 CA ASN A 145 12.571 6.248 18.979 1.00 0.00 C ATOM 349 C ASN A 145 11.427 6.832 18.149 1.00 0.00 C ATOM 350 O ASN A 145 11.463 7.976 17.743 1.00 0.00 O ATOM 351 CB ASN A 145 12.423 6.695 20.436 1.00 0.00 C ATOM 352 CG ASN A 145 13.602 6.165 21.254 1.00 0.00 C ATOM 353 OD1 ASN A 145 14.168 6.881 22.058 1.00 0.00 O ATOM 354 ND2 ASN A 145 14.000 4.935 21.084 1.00 0.00 N ATOM 0 H ASN A 145 14.167 7.651 18.779 1.00 0.00 H new ATOM 0 HA ASN A 145 12.540 5.160 18.927 1.00 0.00 H new ATOM 0 HB2 ASN A 145 12.388 7.783 20.492 1.00 0.00 H new ATOM 0 HB3 ASN A 145 11.485 6.324 20.848 1.00 0.00 H new ATOM 0 HD21 ASN A 145 14.786 4.574 21.625 1.00 0.00 H new ATOM 0 HD22 ASN A 145 13.526 4.334 20.410 1.00 0.00 H new ATOM 361 N GLY A 146 10.410 6.055 17.893 1.00 0.00 N ATOM 362 CA GLY A 146 9.266 6.570 17.088 1.00 0.00 C ATOM 363 C GLY A 146 7.984 5.842 17.499 1.00 0.00 C ATOM 364 O GLY A 146 7.970 5.073 18.439 1.00 0.00 O ATOM 0 H GLY A 146 10.322 5.088 18.206 1.00 0.00 H new ATOM 0 HA2 GLY A 146 9.153 7.643 17.242 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.458 6.419 16.026 1.00 0.00 H new ATOM 368 N VAL A 147 6.909 6.079 16.800 1.00 0.00 N ATOM 369 CA VAL A 147 5.629 5.401 17.149 1.00 0.00 C ATOM 370 C VAL A 147 5.000 4.816 15.882 1.00 0.00 C ATOM 371 O VAL A 147 5.088 5.387 14.814 1.00 0.00 O ATOM 372 CB VAL A 147 4.667 6.416 17.773 1.00 0.00 C ATOM 373 CG1 VAL A 147 3.373 5.709 18.178 1.00 0.00 C ATOM 374 CG2 VAL A 147 5.317 7.038 19.010 1.00 0.00 C ATOM 0 H VAL A 147 6.861 6.713 16.002 1.00 0.00 H new ATOM 0 HA VAL A 147 5.825 4.600 17.862 1.00 0.00 H new ATOM 0 HB VAL A 147 4.442 7.198 17.048 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.688 6.431 18.622 1.00 0.00 H new ATOM 0 HG12 VAL A 147 2.910 5.264 17.297 1.00 0.00 H new ATOM 0 HG13 VAL A 147 3.597 4.927 18.904 1.00 0.00 H new ATOM 0 HG21 VAL A 147 4.634 7.761 19.456 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.541 6.256 19.735 1.00 0.00 H new ATOM 0 HG23 VAL A 147 6.240 7.541 18.722 1.00 0.00 H new ATOM 384 N VAL A 148 4.367 3.680 15.993 1.00 0.00 N ATOM 385 CA VAL A 148 3.735 3.061 14.794 1.00 0.00 C ATOM 386 C VAL A 148 2.358 3.688 14.563 1.00 0.00 C ATOM 387 O VAL A 148 1.414 3.419 15.278 1.00 0.00 O ATOM 388 CB VAL A 148 3.583 1.553 15.018 1.00 0.00 C ATOM 389 CG1 VAL A 148 3.003 1.298 16.411 1.00 0.00 C ATOM 390 CG2 VAL A 148 2.646 0.968 13.960 1.00 0.00 C ATOM 0 H VAL A 148 4.260 3.155 16.861 1.00 0.00 H new ATOM 0 HA VAL A 148 4.363 3.235 13.920 1.00 0.00 H new ATOM 0 HB VAL A 148 4.560 1.077 14.939 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.895 0.225 16.569 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.673 1.711 17.165 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.027 1.777 16.492 1.00 0.00 H new ATOM 0 HG21 VAL A 148 2.540 -0.105 14.121 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.669 1.445 14.036 1.00 0.00 H new ATOM 0 HG23 VAL A 148 3.061 1.146 12.968 1.00 0.00 H new ATOM 400 N GLU A 149 2.237 4.526 13.568 1.00 0.00 N ATOM 401 CA GLU A 149 0.920 5.168 13.293 1.00 0.00 C ATOM 402 C GLU A 149 -0.054 4.121 12.752 1.00 0.00 C ATOM 403 O GLU A 149 -1.184 4.026 13.185 1.00 0.00 O ATOM 404 CB GLU A 149 1.102 6.280 12.258 1.00 0.00 C ATOM 405 CG GLU A 149 2.033 7.355 12.822 1.00 0.00 C ATOM 406 CD GLU A 149 3.487 6.978 12.528 1.00 0.00 C ATOM 407 OE1 GLU A 149 3.695 5.962 11.885 1.00 0.00 O ATOM 408 OE2 GLU A 149 4.365 7.710 12.952 1.00 0.00 O ATOM 0 H GLU A 149 2.992 4.793 12.936 1.00 0.00 H new ATOM 0 HA GLU A 149 0.522 5.592 14.215 1.00 0.00 H new ATOM 0 HB2 GLU A 149 1.518 5.870 11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 149 0.136 6.717 12.004 1.00 0.00 H new ATOM 0 HG2 GLU A 149 1.800 8.322 12.377 1.00 0.00 H new ATOM 0 HG3 GLU A 149 1.882 7.454 13.897 1.00 0.00 H new ATOM 415 N GLU A 150 0.377 3.329 11.807 1.00 0.00 N ATOM 416 CA GLU A 150 -0.524 2.288 11.239 1.00 0.00 C ATOM 417 C GLU A 150 0.213 0.948 11.196 1.00 0.00 C ATOM 418 O GLU A 150 1.425 0.898 11.116 1.00 0.00 O ATOM 419 CB GLU A 150 -0.940 2.687 9.822 1.00 0.00 C ATOM 420 CG GLU A 150 -1.946 1.672 9.279 1.00 0.00 C ATOM 421 CD GLU A 150 -2.259 1.994 7.816 1.00 0.00 C ATOM 422 OE1 GLU A 150 -1.686 2.941 7.303 1.00 0.00 O ATOM 423 OE2 GLU A 150 -3.068 1.290 7.235 1.00 0.00 O ATOM 0 H GLU A 150 1.314 3.359 11.405 1.00 0.00 H new ATOM 0 HA GLU A 150 -1.412 2.196 11.864 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -1.381 3.684 9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -0.065 2.730 9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -1.541 0.663 9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -2.860 1.698 9.872 1.00 0.00 H new ATOM 430 N VAL A 151 -0.506 -0.140 11.250 1.00 0.00 N ATOM 431 CA VAL A 151 0.156 -1.474 11.214 1.00 0.00 C ATOM 432 C VAL A 151 -0.346 -2.263 10.003 1.00 0.00 C ATOM 433 O VAL A 151 -1.444 -2.053 9.524 1.00 0.00 O ATOM 434 CB VAL A 151 -0.175 -2.242 12.495 1.00 0.00 C ATOM 435 CG1 VAL A 151 0.563 -3.582 12.491 1.00 0.00 C ATOM 436 CG2 VAL A 151 0.263 -1.422 13.710 1.00 0.00 C ATOM 0 H VAL A 151 -1.524 -0.162 11.318 1.00 0.00 H new ATOM 0 HA VAL A 151 1.235 -1.341 11.138 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.249 -2.419 12.545 1.00 0.00 H new ATOM 0 HG11 VAL A 151 0.328 -4.130 13.404 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.251 -4.167 11.626 1.00 0.00 H new ATOM 0 HG13 VAL A 151 1.637 -3.405 12.441 1.00 0.00 H new ATOM 0 HG21 VAL A 151 0.027 -1.969 14.623 1.00 0.00 H new ATOM 0 HG22 VAL A 151 1.337 -1.244 13.661 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -0.263 -0.467 13.713 1.00 0.00 H new ATOM 446 N ASP A 152 0.448 -3.171 9.506 1.00 0.00 N ATOM 447 CA ASP A 152 0.016 -3.976 8.328 1.00 0.00 C ATOM 448 C ASP A 152 0.369 -5.446 8.562 1.00 0.00 C ATOM 449 O ASP A 152 1.387 -5.930 8.110 1.00 0.00 O ATOM 450 CB ASP A 152 0.735 -3.472 7.075 1.00 0.00 C ATOM 451 CG ASP A 152 0.255 -2.057 6.745 1.00 0.00 C ATOM 452 OD1 ASP A 152 -0.753 -1.651 7.299 1.00 0.00 O ATOM 453 OD2 ASP A 152 0.904 -1.404 5.945 1.00 0.00 O ATOM 0 H ASP A 152 1.377 -3.391 9.864 1.00 0.00 H new ATOM 0 HA ASP A 152 -1.061 -3.876 8.193 1.00 0.00 H new ATOM 0 HB2 ASP A 152 1.813 -3.473 7.236 1.00 0.00 H new ATOM 0 HB3 ASP A 152 0.537 -4.139 6.236 1.00 0.00 H new ATOM 458 N TYR A 153 -0.466 -6.161 9.267 1.00 0.00 N ATOM 459 CA TYR A 153 -0.177 -7.599 9.531 1.00 0.00 C ATOM 460 C TYR A 153 -0.249 -8.385 8.220 1.00 0.00 C ATOM 461 O TYR A 153 0.487 -9.328 8.010 1.00 0.00 O ATOM 462 CB TYR A 153 -1.209 -8.152 10.515 1.00 0.00 C ATOM 463 CG TYR A 153 -1.084 -7.431 11.835 1.00 0.00 C ATOM 464 CD1 TYR A 153 -0.069 -7.784 12.733 1.00 0.00 C ATOM 465 CD2 TYR A 153 -1.982 -6.408 12.162 1.00 0.00 C ATOM 466 CE1 TYR A 153 0.047 -7.115 13.957 1.00 0.00 C ATOM 467 CE2 TYR A 153 -1.867 -5.739 13.387 1.00 0.00 C ATOM 468 CZ TYR A 153 -0.851 -6.092 14.284 1.00 0.00 C ATOM 469 OH TYR A 153 -0.738 -5.433 15.491 1.00 0.00 O ATOM 0 H TYR A 153 -1.335 -5.811 9.671 1.00 0.00 H new ATOM 0 HA TYR A 153 0.822 -7.697 9.957 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -2.214 -8.025 10.113 1.00 0.00 H new ATOM 0 HB3 TYR A 153 -1.055 -9.222 10.657 1.00 0.00 H new ATOM 0 HD1 TYR A 153 0.624 -8.573 12.481 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -2.764 -6.135 11.469 1.00 0.00 H new ATOM 0 HE1 TYR A 153 0.830 -7.388 14.649 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -2.561 -4.951 13.640 1.00 0.00 H new ATOM 0 HH TYR A 153 -1.439 -4.751 15.558 1.00 0.00 H new ATOM 479 N GLU A 154 -1.132 -8.007 7.337 1.00 0.00 N ATOM 480 CA GLU A 154 -1.250 -8.735 6.043 1.00 0.00 C ATOM 481 C GLU A 154 0.062 -8.613 5.265 1.00 0.00 C ATOM 482 O GLU A 154 0.525 -9.559 4.658 1.00 0.00 O ATOM 483 CB GLU A 154 -2.390 -8.130 5.220 1.00 0.00 C ATOM 484 CG GLU A 154 -3.718 -8.358 5.944 1.00 0.00 C ATOM 485 CD GLU A 154 -3.977 -9.860 6.077 1.00 0.00 C ATOM 486 OE1 GLU A 154 -3.337 -10.616 5.365 1.00 0.00 O ATOM 487 OE2 GLU A 154 -4.811 -10.228 6.888 1.00 0.00 O ATOM 0 H GLU A 154 -1.777 -7.226 7.456 1.00 0.00 H new ATOM 0 HA GLU A 154 -1.459 -9.787 6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -2.221 -7.063 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -2.420 -8.586 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -3.691 -7.894 6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -4.531 -7.886 5.392 1.00 0.00 H new ATOM 494 N LYS A 155 0.664 -7.455 5.277 1.00 0.00 N ATOM 495 CA LYS A 155 1.946 -7.276 4.538 1.00 0.00 C ATOM 496 C LYS A 155 3.123 -7.440 5.502 1.00 0.00 C ATOM 497 O LYS A 155 4.271 -7.413 5.104 1.00 0.00 O ATOM 498 CB LYS A 155 1.985 -5.876 3.920 1.00 0.00 C ATOM 499 CG LYS A 155 3.198 -5.761 2.996 1.00 0.00 C ATOM 500 CD LYS A 155 3.270 -4.344 2.423 1.00 0.00 C ATOM 501 CE LYS A 155 4.434 -4.252 1.434 1.00 0.00 C ATOM 502 NZ LYS A 155 5.118 -2.938 1.593 1.00 0.00 N ATOM 0 H LYS A 155 0.324 -6.627 5.766 1.00 0.00 H new ATOM 0 HA LYS A 155 2.017 -8.026 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 155 1.069 -5.688 3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 155 2.039 -5.122 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 155 4.111 -5.989 3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 155 3.123 -6.488 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 155 2.334 -4.094 1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 155 3.405 -3.621 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 155 5.139 -5.065 1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 155 4.068 -4.362 0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 5.909 -2.875 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 4.442 -2.170 1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 5.481 -2.851 2.564 1.00 0.00 H new ATOM 516 N SER A 156 2.850 -7.611 6.766 1.00 0.00 N ATOM 517 CA SER A 156 3.956 -7.776 7.751 1.00 0.00 C ATOM 518 C SER A 156 4.849 -6.533 7.728 1.00 0.00 C ATOM 519 O SER A 156 6.050 -6.624 7.569 1.00 0.00 O ATOM 520 CB SER A 156 4.786 -9.008 7.385 1.00 0.00 C ATOM 521 OG SER A 156 4.076 -10.182 7.748 1.00 0.00 O ATOM 0 H SER A 156 1.909 -7.644 7.159 1.00 0.00 H new ATOM 0 HA SER A 156 3.537 -7.904 8.749 1.00 0.00 H new ATOM 0 HB2 SER A 156 4.996 -9.013 6.315 1.00 0.00 H new ATOM 0 HB3 SER A 156 5.747 -8.978 7.899 1.00 0.00 H new ATOM 0 HG SER A 156 4.607 -10.971 7.512 1.00 0.00 H new ATOM 527 N ARG A 157 4.272 -5.373 7.882 1.00 0.00 N ATOM 528 CA ARG A 157 5.089 -4.127 7.868 1.00 0.00 C ATOM 529 C ARG A 157 4.529 -3.138 8.892 1.00 0.00 C ATOM 530 O ARG A 157 3.332 -2.981 9.029 1.00 0.00 O ATOM 531 CB ARG A 157 5.038 -3.501 6.473 1.00 0.00 C ATOM 532 CG ARG A 157 6.104 -2.409 6.364 1.00 0.00 C ATOM 533 CD ARG A 157 7.482 -3.054 6.210 1.00 0.00 C ATOM 534 NE ARG A 157 8.523 -1.991 6.134 1.00 0.00 N ATOM 535 CZ ARG A 157 8.933 -1.560 4.971 1.00 0.00 C ATOM 536 NH1 ARG A 157 8.132 -1.599 3.943 1.00 0.00 N ATOM 537 NH2 ARG A 157 10.143 -1.091 4.838 1.00 0.00 N ATOM 0 H ARG A 157 3.271 -5.234 8.017 1.00 0.00 H new ATOM 0 HA ARG A 157 6.122 -4.366 8.122 1.00 0.00 H new ATOM 0 HB2 ARG A 157 5.206 -4.265 5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 157 4.050 -3.079 6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 157 5.894 -1.766 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.084 -1.777 7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.682 -3.714 7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.509 -3.669 5.310 1.00 0.00 H new ATOM 0 HE ARG A 157 8.916 -1.600 6.990 1.00 0.00 H new ATOM 0 HH11 ARG A 157 7.186 -1.966 4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 157 8.451 -1.263 3.035 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.770 -1.061 5.642 1.00 0.00 H new ATOM 0 HH22 ARG A 157 10.463 -0.755 3.930 1.00 0.00 H new ATOM 551 N LEU A 158 5.387 -2.467 9.612 1.00 0.00 N ATOM 552 CA LEU A 158 4.902 -1.488 10.627 1.00 0.00 C ATOM 553 C LEU A 158 5.178 -0.066 10.138 1.00 0.00 C ATOM 554 O LEU A 158 6.252 0.239 9.657 1.00 0.00 O ATOM 555 CB LEU A 158 5.636 -1.721 11.951 1.00 0.00 C ATOM 556 CG LEU A 158 5.443 -3.173 12.394 1.00 0.00 C ATOM 557 CD1 LEU A 158 6.020 -3.357 13.798 1.00 0.00 C ATOM 558 CD2 LEU A 158 3.950 -3.509 12.406 1.00 0.00 C ATOM 0 H LEU A 158 6.401 -2.554 9.542 1.00 0.00 H new ATOM 0 HA LEU A 158 3.830 -1.620 10.775 1.00 0.00 H new ATOM 0 HB2 LEU A 158 6.698 -1.504 11.833 1.00 0.00 H new ATOM 0 HB3 LEU A 158 5.255 -1.043 12.715 1.00 0.00 H new ATOM 0 HG LEU A 158 5.958 -3.837 11.700 1.00 0.00 H new ATOM 0 HD11 LEU A 158 5.883 -4.391 14.115 1.00 0.00 H new ATOM 0 HD12 LEU A 158 7.083 -3.118 13.789 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.505 -2.693 14.493 1.00 0.00 H new ATOM 0 HD21 LEU A 158 3.812 -4.543 12.721 1.00 0.00 H new ATOM 0 HD22 LEU A 158 3.433 -2.846 13.100 1.00 0.00 H new ATOM 0 HD23 LEU A 158 3.539 -3.377 11.405 1.00 0.00 H new ATOM 570 N LYS A 159 4.217 0.809 10.257 1.00 0.00 N ATOM 571 CA LYS A 159 4.424 2.213 9.802 1.00 0.00 C ATOM 572 C LYS A 159 4.805 3.085 11.000 1.00 0.00 C ATOM 573 O LYS A 159 3.957 3.541 11.741 1.00 0.00 O ATOM 574 CB LYS A 159 3.133 2.742 9.175 1.00 0.00 C ATOM 575 CG LYS A 159 3.407 4.089 8.502 1.00 0.00 C ATOM 576 CD LYS A 159 2.101 4.653 7.941 1.00 0.00 C ATOM 577 CE LYS A 159 2.395 5.926 7.145 1.00 0.00 C ATOM 578 NZ LYS A 159 2.856 6.996 8.074 1.00 0.00 N ATOM 0 H LYS A 159 3.297 0.612 10.650 1.00 0.00 H new ATOM 0 HA LYS A 159 5.224 2.242 9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 159 2.753 2.029 8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 159 2.365 2.855 9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 159 3.838 4.786 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 159 4.136 3.966 7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 159 1.619 3.914 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 159 1.408 4.871 8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 159 3.158 5.729 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 159 1.500 6.251 6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 2.845 7.912 7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 2.222 7.038 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 3.823 6.786 8.393 1.00 0.00 H new ATOM 592 N VAL A 160 6.073 3.318 11.198 1.00 0.00 N ATOM 593 CA VAL A 160 6.504 4.159 12.350 1.00 0.00 C ATOM 594 C VAL A 160 7.335 5.339 11.842 1.00 0.00 C ATOM 595 O VAL A 160 8.164 5.194 10.964 1.00 0.00 O ATOM 596 CB VAL A 160 7.349 3.315 13.308 1.00 0.00 C ATOM 597 CG1 VAL A 160 7.705 4.146 14.541 1.00 0.00 C ATOM 598 CG2 VAL A 160 6.553 2.081 13.736 1.00 0.00 C ATOM 0 H VAL A 160 6.829 2.963 10.612 1.00 0.00 H new ATOM 0 HA VAL A 160 5.625 4.535 12.873 1.00 0.00 H new ATOM 0 HB VAL A 160 8.264 3.001 12.806 1.00 0.00 H new ATOM 0 HG11 VAL A 160 8.307 3.545 15.223 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.272 5.026 14.236 1.00 0.00 H new ATOM 0 HG13 VAL A 160 6.791 4.460 15.044 1.00 0.00 H new ATOM 0 HG21 VAL A 160 7.154 1.479 14.418 1.00 0.00 H new ATOM 0 HG22 VAL A 160 5.638 2.395 14.238 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.299 1.489 12.857 1.00 0.00 H new ATOM 608 N SER A 161 7.121 6.505 12.386 1.00 0.00 N ATOM 609 CA SER A 161 7.901 7.692 11.935 1.00 0.00 C ATOM 610 C SER A 161 9.022 7.977 12.936 1.00 0.00 C ATOM 611 O SER A 161 8.939 7.617 14.093 1.00 0.00 O ATOM 612 CB SER A 161 6.974 8.907 11.848 1.00 0.00 C ATOM 613 OG SER A 161 6.575 9.292 13.156 1.00 0.00 O ATOM 0 H SER A 161 6.440 6.687 13.123 1.00 0.00 H new ATOM 0 HA SER A 161 8.333 7.492 10.954 1.00 0.00 H new ATOM 0 HB2 SER A 161 7.485 9.733 11.354 1.00 0.00 H new ATOM 0 HB3 SER A 161 6.098 8.667 11.245 1.00 0.00 H new ATOM 0 HG SER A 161 5.734 8.845 13.386 1.00 0.00 H new ATOM 619 N VAL A 162 10.072 8.618 12.500 1.00 0.00 N ATOM 620 CA VAL A 162 11.197 8.923 13.429 1.00 0.00 C ATOM 621 C VAL A 162 11.181 10.413 13.778 1.00 0.00 C ATOM 622 O VAL A 162 11.128 11.262 12.910 1.00 0.00 O ATOM 623 CB VAL A 162 12.525 8.574 12.753 1.00 0.00 C ATOM 624 CG1 VAL A 162 13.637 8.539 13.804 1.00 0.00 C ATOM 625 CG2 VAL A 162 12.412 7.203 12.085 1.00 0.00 C ATOM 0 H VAL A 162 10.199 8.943 11.542 1.00 0.00 H new ATOM 0 HA VAL A 162 11.085 8.334 14.340 1.00 0.00 H new ATOM 0 HB VAL A 162 12.759 9.327 12.000 1.00 0.00 H new ATOM 0 HG11 VAL A 162 14.584 8.291 13.324 1.00 0.00 H new ATOM 0 HG12 VAL A 162 13.717 9.516 14.281 1.00 0.00 H new ATOM 0 HG13 VAL A 162 13.403 7.786 14.556 1.00 0.00 H new ATOM 0 HG21 VAL A 162 13.358 6.954 11.603 1.00 0.00 H new ATOM 0 HG22 VAL A 162 12.179 6.450 12.837 1.00 0.00 H new ATOM 0 HG23 VAL A 162 11.619 7.227 11.337 1.00 0.00 H new ATOM 635 N SER A 163 11.229 10.737 15.040 1.00 0.00 N ATOM 636 CA SER A 163 11.219 12.172 15.442 1.00 0.00 C ATOM 637 C SER A 163 12.597 12.783 15.178 1.00 0.00 C ATOM 638 O SER A 163 13.414 12.908 16.068 1.00 0.00 O ATOM 639 CB SER A 163 10.891 12.281 16.933 1.00 0.00 C ATOM 640 OG SER A 163 9.533 11.924 17.146 1.00 0.00 O ATOM 0 H SER A 163 11.275 10.070 15.811 1.00 0.00 H new ATOM 0 HA SER A 163 10.466 12.707 14.864 1.00 0.00 H new ATOM 0 HB2 SER A 163 11.545 11.626 17.509 1.00 0.00 H new ATOM 0 HB3 SER A 163 11.070 13.298 17.282 1.00 0.00 H new ATOM 0 HG SER A 163 9.323 11.992 18.101 1.00 0.00 H new ATOM 692 N ARG A 167 12.792 17.106 10.950 1.00 0.00 N ATOM 693 CA ARG A 167 11.316 16.947 10.798 1.00 0.00 C ATOM 694 C ARG A 167 10.940 15.478 10.994 1.00 0.00 C ATOM 695 O ARG A 167 11.786 14.606 11.001 1.00 0.00 O ATOM 696 CB ARG A 167 10.890 17.395 9.397 1.00 0.00 C ATOM 697 CG ARG A 167 10.074 18.684 9.501 1.00 0.00 C ATOM 698 CD ARG A 167 9.528 19.057 8.121 1.00 0.00 C ATOM 699 NE ARG A 167 10.659 19.188 7.160 1.00 0.00 N ATOM 700 CZ ARG A 167 10.422 19.498 5.914 1.00 0.00 C ATOM 701 NH1 ARG A 167 9.422 20.281 5.614 1.00 0.00 N ATOM 702 NH2 ARG A 167 11.187 19.026 4.968 1.00 0.00 N ATOM 0 HA ARG A 167 10.809 17.559 11.544 1.00 0.00 H new ATOM 0 HB2 ARG A 167 11.769 17.557 8.773 1.00 0.00 H new ATOM 0 HB3 ARG A 167 10.298 16.615 8.918 1.00 0.00 H new ATOM 0 HG2 ARG A 167 9.252 18.551 10.205 1.00 0.00 H new ATOM 0 HG3 ARG A 167 10.697 19.491 9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 167 8.830 18.295 7.776 1.00 0.00 H new ATOM 0 HD3 ARG A 167 8.974 19.994 8.178 1.00 0.00 H new ATOM 0 HE ARG A 167 11.617 19.036 7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 167 8.825 20.651 6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 167 9.238 20.523 4.640 1.00 0.00 H new ATOM 0 HH21 ARG A 167 11.970 18.415 5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 167 11.002 19.268 3.994 1.00 0.00 H new ATOM 716 N ALA A 168 9.675 15.195 11.151 1.00 0.00 N ATOM 717 CA ALA A 168 9.248 13.781 11.343 1.00 0.00 C ATOM 718 C ALA A 168 9.452 13.008 10.040 1.00 0.00 C ATOM 719 O ALA A 168 9.181 13.504 8.964 1.00 0.00 O ATOM 720 CB ALA A 168 7.767 13.744 11.732 1.00 0.00 C ATOM 0 H ALA A 168 8.920 15.881 11.154 1.00 0.00 H new ATOM 0 HA ALA A 168 9.843 13.325 12.134 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.454 12.710 11.873 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.621 14.297 12.660 1.00 0.00 H new ATOM 0 HB3 ALA A 168 7.171 14.199 10.941 1.00 0.00 H new ATOM 726 N THR A 169 9.932 11.798 10.124 1.00 0.00 N ATOM 727 CA THR A 169 10.156 10.999 8.887 1.00 0.00 C ATOM 728 C THR A 169 9.375 9.685 8.978 1.00 0.00 C ATOM 729 O THR A 169 9.888 8.678 9.423 1.00 0.00 O ATOM 730 CB THR A 169 11.649 10.696 8.738 1.00 0.00 C ATOM 731 OG1 THR A 169 12.386 11.907 8.822 1.00 0.00 O ATOM 732 CG2 THR A 169 11.904 10.032 7.384 1.00 0.00 C ATOM 0 H THR A 169 10.179 11.328 10.995 1.00 0.00 H new ATOM 0 HA THR A 169 9.812 11.566 8.022 1.00 0.00 H new ATOM 0 HB THR A 169 11.966 10.022 9.534 1.00 0.00 H new ATOM 0 HG1 THR A 169 13.342 11.715 8.729 1.00 0.00 H new ATOM 0 HG21 THR A 169 12.967 9.817 7.279 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.338 9.103 7.322 1.00 0.00 H new ATOM 0 HG23 THR A 169 11.589 10.703 6.585 1.00 0.00 H new ATOM 740 N PRO A 170 8.107 9.703 8.544 1.00 0.00 N ATOM 741 CA PRO A 170 7.246 8.514 8.570 1.00 0.00 C ATOM 742 C PRO A 170 7.795 7.398 7.676 1.00 0.00 C ATOM 743 O PRO A 170 7.748 7.482 6.464 1.00 0.00 O ATOM 744 CB PRO A 170 5.915 9.022 8.016 1.00 0.00 C ATOM 745 CG PRO A 170 6.283 10.198 7.176 1.00 0.00 C ATOM 746 CD PRO A 170 7.473 10.832 7.840 1.00 0.00 C ATOM 0 HA PRO A 170 7.169 8.085 9.569 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.412 8.255 7.427 1.00 0.00 H new ATOM 0 HB3 PRO A 170 5.234 9.305 8.818 1.00 0.00 H new ATOM 0 HG2 PRO A 170 6.523 9.890 6.159 1.00 0.00 H new ATOM 0 HG3 PRO A 170 5.454 10.902 7.108 1.00 0.00 H new ATOM 0 HD2 PRO A 170 8.148 11.283 7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 170 7.176 11.621 8.530 1.00 0.00 H new ATOM 754 N VAL A 171 8.318 6.357 8.263 1.00 0.00 N ATOM 755 CA VAL A 171 8.871 5.242 7.446 1.00 0.00 C ATOM 756 C VAL A 171 8.303 3.911 7.944 1.00 0.00 C ATOM 757 O VAL A 171 7.880 3.790 9.076 1.00 0.00 O ATOM 758 CB VAL A 171 10.396 5.224 7.575 1.00 0.00 C ATOM 759 CG1 VAL A 171 10.957 6.590 7.174 1.00 0.00 C ATOM 760 CG2 VAL A 171 10.781 4.921 9.024 1.00 0.00 C ATOM 0 H VAL A 171 8.386 6.231 9.273 1.00 0.00 H new ATOM 0 HA VAL A 171 8.594 5.386 6.402 1.00 0.00 H new ATOM 0 HB VAL A 171 10.807 4.455 6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 171 12.043 6.578 7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 171 10.682 6.807 6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 171 10.546 7.359 7.829 1.00 0.00 H new ATOM 0 HG21 VAL A 171 11.867 4.908 9.117 1.00 0.00 H new ATOM 0 HG22 VAL A 171 10.370 5.690 9.678 1.00 0.00 H new ATOM 0 HG23 VAL A 171 10.381 3.949 9.311 1.00 0.00 H new ATOM 770 N GLU A 172 8.293 2.910 7.106 1.00 0.00 N ATOM 771 CA GLU A 172 7.754 1.588 7.531 1.00 0.00 C ATOM 772 C GLU A 172 8.916 0.628 7.798 1.00 0.00 C ATOM 773 O GLU A 172 9.802 0.468 6.982 1.00 0.00 O ATOM 774 CB GLU A 172 6.865 1.019 6.422 1.00 0.00 C ATOM 775 CG GLU A 172 5.682 1.960 6.184 1.00 0.00 C ATOM 776 CD GLU A 172 4.729 1.333 5.166 1.00 0.00 C ATOM 777 OE1 GLU A 172 5.090 0.318 4.592 1.00 0.00 O ATOM 778 OE2 GLU A 172 3.653 1.877 4.977 1.00 0.00 O ATOM 0 H GLU A 172 8.635 2.951 6.146 1.00 0.00 H new ATOM 0 HA GLU A 172 7.166 1.709 8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 172 7.441 0.902 5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 172 6.505 0.029 6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.158 2.147 7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 172 6.038 2.924 5.820 1.00 0.00 H new ATOM 785 N LEU A 173 8.918 -0.013 8.934 1.00 0.00 N ATOM 786 CA LEU A 173 10.024 -0.960 9.252 1.00 0.00 C ATOM 787 C LEU A 173 9.437 -2.323 9.625 1.00 0.00 C ATOM 788 O LEU A 173 8.364 -2.416 10.185 1.00 0.00 O ATOM 789 CB LEU A 173 10.838 -0.418 10.428 1.00 0.00 C ATOM 790 CG LEU A 173 11.316 1.000 10.106 1.00 0.00 C ATOM 791 CD1 LEU A 173 12.150 1.534 11.273 1.00 0.00 C ATOM 792 CD2 LEU A 173 12.171 0.975 8.838 1.00 0.00 C ATOM 0 H LEU A 173 8.203 0.078 9.655 1.00 0.00 H new ATOM 0 HA LEU A 173 10.671 -1.068 8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 173 10.230 -0.412 11.333 1.00 0.00 H new ATOM 0 HB3 LEU A 173 11.693 -1.066 10.622 1.00 0.00 H new ATOM 0 HG LEU A 173 10.453 1.647 9.949 1.00 0.00 H new ATOM 0 HD11 LEU A 173 12.491 2.544 11.045 1.00 0.00 H new ATOM 0 HD12 LEU A 173 11.541 1.552 12.177 1.00 0.00 H new ATOM 0 HD13 LEU A 173 13.013 0.887 11.430 1.00 0.00 H new ATOM 0 HD21 LEU A 173 12.511 1.985 8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 173 13.034 0.328 8.994 1.00 0.00 H new ATOM 0 HD23 LEU A 173 11.578 0.595 8.007 1.00 0.00 H new ATOM 804 N ASP A 174 10.135 -3.383 9.318 1.00 0.00 N ATOM 805 CA ASP A 174 9.617 -4.739 9.655 1.00 0.00 C ATOM 806 C ASP A 174 9.624 -4.923 11.175 1.00 0.00 C ATOM 807 O ASP A 174 10.119 -4.091 11.908 1.00 0.00 O ATOM 808 CB ASP A 174 10.510 -5.800 9.009 1.00 0.00 C ATOM 809 CG ASP A 174 10.395 -5.706 7.486 1.00 0.00 C ATOM 810 OD1 ASP A 174 9.476 -5.053 7.021 1.00 0.00 O ATOM 811 OD2 ASP A 174 11.227 -6.289 6.813 1.00 0.00 O ATOM 0 H ASP A 174 11.041 -3.368 8.849 1.00 0.00 H new ATOM 0 HA ASP A 174 8.599 -4.844 9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 174 11.546 -5.654 9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 174 10.214 -6.794 9.346 1.00 0.00 H new ATOM 816 N PHE A 175 9.077 -6.006 11.653 1.00 0.00 N ATOM 817 CA PHE A 175 9.054 -6.239 13.125 1.00 0.00 C ATOM 818 C PHE A 175 10.484 -6.443 13.631 1.00 0.00 C ATOM 819 O PHE A 175 10.856 -5.958 14.681 1.00 0.00 O ATOM 820 CB PHE A 175 8.221 -7.487 13.431 1.00 0.00 C ATOM 821 CG PHE A 175 6.948 -7.460 12.619 1.00 0.00 C ATOM 822 CD1 PHE A 175 6.406 -6.237 12.203 1.00 0.00 C ATOM 823 CD2 PHE A 175 6.310 -8.659 12.282 1.00 0.00 C ATOM 824 CE1 PHE A 175 5.225 -6.215 11.451 1.00 0.00 C ATOM 825 CE2 PHE A 175 5.128 -8.636 11.530 1.00 0.00 C ATOM 826 CZ PHE A 175 4.587 -7.414 11.114 1.00 0.00 C ATOM 0 H PHE A 175 8.646 -6.739 11.090 1.00 0.00 H new ATOM 0 HA PHE A 175 8.612 -5.376 13.623 1.00 0.00 H new ATOM 0 HB2 PHE A 175 8.794 -8.385 13.198 1.00 0.00 H new ATOM 0 HB3 PHE A 175 7.985 -7.527 14.494 1.00 0.00 H new ATOM 0 HD1 PHE A 175 6.899 -5.312 12.462 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.729 -9.602 12.601 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.806 -5.272 11.131 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.634 -9.561 11.271 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.677 -7.396 10.533 1.00 0.00 H new ATOM 836 N SER A 176 11.290 -7.154 12.891 1.00 0.00 N ATOM 837 CA SER A 176 12.694 -7.387 13.331 1.00 0.00 C ATOM 838 C SER A 176 13.514 -6.114 13.110 1.00 0.00 C ATOM 839 O SER A 176 14.517 -5.889 13.759 1.00 0.00 O ATOM 840 CB SER A 176 13.301 -8.531 12.515 1.00 0.00 C ATOM 841 OG SER A 176 12.427 -9.650 12.548 1.00 0.00 O ATOM 0 H SER A 176 11.037 -7.583 12.001 1.00 0.00 H new ATOM 0 HA SER A 176 12.705 -7.649 14.389 1.00 0.00 H new ATOM 0 HB2 SER A 176 13.462 -8.212 11.485 1.00 0.00 H new ATOM 0 HB3 SER A 176 14.275 -8.804 12.920 1.00 0.00 H new ATOM 0 HG SER A 176 12.814 -10.383 12.024 1.00 0.00 H new ATOM 847 N GLN A 177 13.096 -5.278 12.199 1.00 0.00 N ATOM 848 CA GLN A 177 13.851 -4.020 11.940 1.00 0.00 C ATOM 849 C GLN A 177 13.682 -3.070 13.126 1.00 0.00 C ATOM 850 O GLN A 177 14.542 -2.262 13.416 1.00 0.00 O ATOM 851 CB GLN A 177 13.313 -3.353 10.672 1.00 0.00 C ATOM 852 CG GLN A 177 13.792 -4.131 9.444 1.00 0.00 C ATOM 853 CD GLN A 177 13.293 -3.438 8.174 1.00 0.00 C ATOM 854 OE1 GLN A 177 12.468 -2.549 8.238 1.00 0.00 O ATOM 855 NE2 GLN A 177 13.764 -3.810 7.015 1.00 0.00 N ATOM 0 H GLN A 177 12.265 -5.412 11.623 1.00 0.00 H new ATOM 0 HA GLN A 177 14.908 -4.252 11.808 1.00 0.00 H new ATOM 0 HB2 GLN A 177 12.224 -3.326 10.697 1.00 0.00 H new ATOM 0 HB3 GLN A 177 13.656 -2.320 10.618 1.00 0.00 H new ATOM 0 HG2 GLN A 177 14.881 -4.186 9.437 1.00 0.00 H new ATOM 0 HG3 GLN A 177 13.421 -5.155 9.482 1.00 0.00 H new ATOM 0 HE21 GLN A 177 14.457 -4.557 6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 177 13.439 -3.354 6.162 1.00 0.00 H new ATOM 864 N VAL A 178 12.578 -3.161 13.817 1.00 0.00 N ATOM 865 CA VAL A 178 12.354 -2.262 14.984 1.00 0.00 C ATOM 866 C VAL A 178 11.979 -3.100 16.209 1.00 0.00 C ATOM 867 O VAL A 178 11.572 -4.239 16.092 1.00 0.00 O ATOM 868 CB VAL A 178 11.218 -1.287 14.666 1.00 0.00 C ATOM 869 CG1 VAL A 178 11.453 -0.665 13.287 1.00 0.00 C ATOM 870 CG2 VAL A 178 9.884 -2.037 14.666 1.00 0.00 C ATOM 0 H VAL A 178 11.823 -3.818 13.624 1.00 0.00 H new ATOM 0 HA VAL A 178 13.266 -1.702 15.192 1.00 0.00 H new ATOM 0 HB VAL A 178 11.192 -0.501 15.421 1.00 0.00 H new ATOM 0 HG11 VAL A 178 10.645 0.030 13.059 1.00 0.00 H new ATOM 0 HG12 VAL A 178 12.403 -0.130 13.286 1.00 0.00 H new ATOM 0 HG13 VAL A 178 11.479 -1.451 12.533 1.00 0.00 H new ATOM 0 HG21 VAL A 178 9.076 -1.342 14.439 1.00 0.00 H new ATOM 0 HG22 VAL A 178 9.909 -2.823 13.911 1.00 0.00 H new ATOM 0 HG23 VAL A 178 9.716 -2.481 15.647 1.00 0.00 H new ATOM 880 N GLU A 179 12.114 -2.547 17.383 1.00 0.00 N ATOM 881 CA GLU A 179 11.764 -3.313 18.612 1.00 0.00 C ATOM 882 C GLU A 179 10.657 -2.581 19.372 1.00 0.00 C ATOM 883 O GLU A 179 10.566 -1.370 19.344 1.00 0.00 O ATOM 884 CB GLU A 179 13.002 -3.435 19.505 1.00 0.00 C ATOM 885 CG GLU A 179 14.096 -4.199 18.758 1.00 0.00 C ATOM 886 CD GLU A 179 13.627 -5.631 18.491 1.00 0.00 C ATOM 887 OE1 GLU A 179 12.651 -6.036 19.100 1.00 0.00 O ATOM 888 OE2 GLU A 179 14.251 -6.297 17.680 1.00 0.00 O ATOM 0 H GLU A 179 12.451 -1.598 17.544 1.00 0.00 H new ATOM 0 HA GLU A 179 11.416 -4.308 18.334 1.00 0.00 H new ATOM 0 HB2 GLU A 179 13.361 -2.444 19.784 1.00 0.00 H new ATOM 0 HB3 GLU A 179 12.747 -3.954 20.429 1.00 0.00 H new ATOM 0 HG2 GLU A 179 14.326 -3.699 17.817 1.00 0.00 H new ATOM 0 HG3 GLU A 179 15.014 -4.209 19.346 1.00 0.00 H new ATOM 895 N LYS A 180 9.812 -3.307 20.053 1.00 0.00 N ATOM 896 CA LYS A 180 8.711 -2.652 20.815 1.00 0.00 C ATOM 897 C LYS A 180 9.305 -1.684 21.839 1.00 0.00 C ATOM 898 O LYS A 180 10.309 -1.965 22.464 1.00 0.00 O ATOM 899 CB LYS A 180 7.889 -3.720 21.539 1.00 0.00 C ATOM 900 CG LYS A 180 6.576 -3.109 22.033 1.00 0.00 C ATOM 901 CD LYS A 180 5.719 -4.196 22.683 1.00 0.00 C ATOM 902 CE LYS A 180 4.293 -3.676 22.875 1.00 0.00 C ATOM 903 NZ LYS A 180 3.861 -3.913 24.281 1.00 0.00 N ATOM 0 H LYS A 180 9.837 -4.325 20.114 1.00 0.00 H new ATOM 0 HA LYS A 180 8.069 -2.102 20.127 1.00 0.00 H new ATOM 0 HB2 LYS A 180 7.684 -4.553 20.867 1.00 0.00 H new ATOM 0 HB3 LYS A 180 8.455 -4.121 22.380 1.00 0.00 H new ATOM 0 HG2 LYS A 180 6.780 -2.314 22.751 1.00 0.00 H new ATOM 0 HG3 LYS A 180 6.038 -2.656 21.200 1.00 0.00 H new ATOM 0 HD2 LYS A 180 5.711 -5.089 22.058 1.00 0.00 H new ATOM 0 HD3 LYS A 180 6.145 -4.483 23.644 1.00 0.00 H new ATOM 0 HE2 LYS A 180 4.249 -2.612 22.645 1.00 0.00 H new ATOM 0 HE3 LYS A 180 3.615 -4.180 22.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 2.892 -3.559 24.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 3.888 -4.932 24.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 4.502 -3.413 24.930 1.00 0.00 H new ATOM 917 N ALA A 181 8.694 -0.546 22.018 1.00 0.00 N ATOM 918 CA ALA A 181 9.225 0.439 23.003 1.00 0.00 C ATOM 919 C ALA A 181 9.108 -0.139 24.414 1.00 0.00 C ATOM 920 O ALA A 181 10.089 -0.506 25.029 1.00 0.00 O ATOM 921 CB ALA A 181 8.418 1.736 22.913 1.00 0.00 C ATOM 0 H ALA A 181 7.850 -0.255 21.525 1.00 0.00 H new ATOM 0 HA ALA A 181 10.272 0.647 22.782 1.00 0.00 H new ATOM 0 HB1 ALA A 181 8.806 2.457 23.633 1.00 0.00 H new ATOM 0 HB2 ALA A 181 8.501 2.147 21.907 1.00 0.00 H new ATOM 0 HB3 ALA A 181 7.371 1.529 23.135 1.00 0.00 H new