USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=9 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 151:sc= -0.165 (180deg=-0.966) USER MOD Single : A 137 ASN : amide:sc= -2.52! C(o=-2.5!,f=-10!) USER MOD Single : A 145 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 153 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 LYS NZ :NH3+ 159:sc= -0.364 (180deg=-1.47!) USER MOD Single : A 156 SER OG : rot 180:sc= -0.0662 USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 176 SER OG : rot 180:sc= 0 USER MOD Single : A 177 GLN : amide:sc= 0.731 K(o=0.73,f=-7.6!) USER MOD Single : A 180 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0224) USER MOD ----------------------------------------------------------------- ATOM 94 N PHE A 128 2.559 -4.652 18.182 1.00 0.00 N ATOM 95 CA PHE A 128 2.620 -3.174 18.003 1.00 0.00 C ATOM 96 C PHE A 128 1.217 -2.639 17.701 1.00 0.00 C ATOM 97 O PHE A 128 0.508 -3.166 16.869 1.00 0.00 O ATOM 98 CB PHE A 128 3.555 -2.841 16.840 1.00 0.00 C ATOM 99 CG PHE A 128 4.911 -3.454 17.094 1.00 0.00 C ATOM 100 CD1 PHE A 128 5.189 -4.752 16.650 1.00 0.00 C ATOM 101 CD2 PHE A 128 5.892 -2.723 17.776 1.00 0.00 C ATOM 102 CE1 PHE A 128 6.447 -5.319 16.886 1.00 0.00 C ATOM 103 CE2 PHE A 128 7.151 -3.290 18.012 1.00 0.00 C ATOM 104 CZ PHE A 128 7.427 -4.589 17.567 1.00 0.00 C ATOM 0 HA PHE A 128 2.996 -2.711 18.915 1.00 0.00 H new ATOM 0 HB2 PHE A 128 3.141 -3.221 15.906 1.00 0.00 H new ATOM 0 HB3 PHE A 128 3.647 -1.760 16.731 1.00 0.00 H new ATOM 0 HD1 PHE A 128 4.433 -5.316 16.125 1.00 0.00 H new ATOM 0 HD2 PHE A 128 5.678 -1.722 18.120 1.00 0.00 H new ATOM 0 HE1 PHE A 128 6.661 -6.320 16.542 1.00 0.00 H new ATOM 0 HE2 PHE A 128 7.908 -2.726 18.537 1.00 0.00 H new ATOM 0 HZ PHE A 128 8.397 -5.027 17.750 1.00 0.00 H new ATOM 114 N GLU A 129 0.814 -1.596 18.373 1.00 0.00 N ATOM 115 CA GLU A 129 -0.540 -1.027 18.126 1.00 0.00 C ATOM 116 C GLU A 129 -0.421 0.474 17.859 1.00 0.00 C ATOM 117 O GLU A 129 0.332 1.171 18.509 1.00 0.00 O ATOM 118 CB GLU A 129 -1.421 -1.257 19.357 1.00 0.00 C ATOM 119 CG GLU A 129 -0.780 -0.587 20.575 1.00 0.00 C ATOM 120 CD GLU A 129 -1.275 0.857 20.680 1.00 0.00 C ATOM 121 OE1 GLU A 129 -2.246 1.180 20.016 1.00 0.00 O ATOM 122 OE2 GLU A 129 -0.673 1.616 21.422 1.00 0.00 O ATOM 0 H GLU A 129 1.365 -1.113 19.083 1.00 0.00 H new ATOM 0 HA GLU A 129 -0.988 -1.516 17.261 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -2.417 -0.849 19.186 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -1.541 -2.325 19.537 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -1.033 -1.137 21.482 1.00 0.00 H new ATOM 0 HG3 GLU A 129 0.306 -0.605 20.484 1.00 0.00 H new ATOM 129 N PRO A 130 -1.184 0.980 16.877 1.00 0.00 N ATOM 130 CA PRO A 130 -1.166 2.404 16.519 1.00 0.00 C ATOM 131 C PRO A 130 -1.061 3.299 17.757 1.00 0.00 C ATOM 132 O PRO A 130 -1.813 3.160 18.701 1.00 0.00 O ATOM 133 CB PRO A 130 -2.514 2.618 15.831 1.00 0.00 C ATOM 134 CG PRO A 130 -3.391 1.548 16.385 1.00 0.00 C ATOM 135 CD PRO A 130 -2.500 0.363 16.630 1.00 0.00 C ATOM 0 HA PRO A 130 -0.310 2.658 15.894 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -2.915 3.609 16.043 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.424 2.536 14.748 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.868 1.875 17.309 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -4.189 1.298 15.686 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -2.836 -0.225 17.484 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.476 -0.308 15.771 1.00 0.00 H new ATOM 143 N GLY A 131 -0.131 4.215 17.761 1.00 0.00 N ATOM 144 CA GLY A 131 0.022 5.115 18.939 1.00 0.00 C ATOM 145 C GLY A 131 0.989 4.480 19.942 1.00 0.00 C ATOM 146 O GLY A 131 1.130 4.940 21.058 1.00 0.00 O ATOM 0 H GLY A 131 0.529 4.379 17.000 1.00 0.00 H new ATOM 0 HA2 GLY A 131 0.397 6.088 18.621 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -0.947 5.285 19.409 1.00 0.00 H new ATOM 150 N GLU A 132 1.654 3.427 19.553 1.00 0.00 N ATOM 151 CA GLU A 132 2.609 2.763 20.484 1.00 0.00 C ATOM 152 C GLU A 132 4.042 3.121 20.085 1.00 0.00 C ATOM 153 O GLU A 132 4.399 3.092 18.923 1.00 0.00 O ATOM 154 CB GLU A 132 2.423 1.246 20.409 1.00 0.00 C ATOM 155 CG GLU A 132 3.300 0.570 21.464 1.00 0.00 C ATOM 156 CD GLU A 132 3.191 -0.949 21.322 1.00 0.00 C ATOM 157 OE1 GLU A 132 2.422 -1.392 20.485 1.00 0.00 O ATOM 158 OE2 GLU A 132 3.878 -1.643 22.052 1.00 0.00 O ATOM 0 H GLU A 132 1.577 2.998 18.631 1.00 0.00 H new ATOM 0 HA GLU A 132 2.419 3.103 21.502 1.00 0.00 H new ATOM 0 HB2 GLU A 132 1.376 0.989 20.572 1.00 0.00 H new ATOM 0 HB3 GLU A 132 2.688 0.885 19.415 1.00 0.00 H new ATOM 0 HG2 GLU A 132 4.337 0.883 21.345 1.00 0.00 H new ATOM 0 HG3 GLU A 132 2.987 0.876 22.462 1.00 0.00 H new ATOM 165 N MET A 133 4.868 3.458 21.038 1.00 0.00 N ATOM 166 CA MET A 133 6.276 3.816 20.711 1.00 0.00 C ATOM 167 C MET A 133 7.044 2.556 20.310 1.00 0.00 C ATOM 168 O MET A 133 6.877 1.504 20.893 1.00 0.00 O ATOM 169 CB MET A 133 6.940 4.447 21.937 1.00 0.00 C ATOM 170 CG MET A 133 6.263 5.783 22.252 1.00 0.00 C ATOM 171 SD MET A 133 7.222 6.663 23.509 1.00 0.00 S ATOM 172 CE MET A 133 8.614 7.128 22.450 1.00 0.00 C ATOM 0 H MET A 133 4.628 3.501 22.028 1.00 0.00 H new ATOM 0 HA MET A 133 6.286 4.527 19.885 1.00 0.00 H new ATOM 0 HB2 MET A 133 6.861 3.776 22.793 1.00 0.00 H new ATOM 0 HB3 MET A 133 8.003 4.601 21.750 1.00 0.00 H new ATOM 0 HG2 MET A 133 6.188 6.387 21.348 1.00 0.00 H new ATOM 0 HG3 MET A 133 5.247 5.613 22.607 1.00 0.00 H new ATOM 0 HE1 MET A 133 9.054 8.057 22.814 1.00 0.00 H new ATOM 0 HE2 MET A 133 9.366 6.339 22.469 1.00 0.00 H new ATOM 0 HE3 MET A 133 8.262 7.269 21.428 1.00 0.00 H new ATOM 182 N VAL A 134 7.885 2.652 19.317 1.00 0.00 N ATOM 183 CA VAL A 134 8.661 1.457 18.881 1.00 0.00 C ATOM 184 C VAL A 134 10.152 1.802 18.854 1.00 0.00 C ATOM 185 O VAL A 134 10.546 2.917 19.135 1.00 0.00 O ATOM 186 CB VAL A 134 8.209 1.038 17.480 1.00 0.00 C ATOM 187 CG1 VAL A 134 8.596 -0.421 17.233 1.00 0.00 C ATOM 188 CG2 VAL A 134 6.692 1.191 17.366 1.00 0.00 C ATOM 0 H VAL A 134 8.068 3.505 18.789 1.00 0.00 H new ATOM 0 HA VAL A 134 8.489 0.637 19.578 1.00 0.00 H new ATOM 0 HB VAL A 134 8.694 1.672 16.738 1.00 0.00 H new ATOM 0 HG11 VAL A 134 8.274 -0.719 16.235 1.00 0.00 H new ATOM 0 HG12 VAL A 134 9.678 -0.529 17.312 1.00 0.00 H new ATOM 0 HG13 VAL A 134 8.113 -1.056 17.975 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.370 0.893 16.368 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.206 0.558 18.109 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.417 2.231 17.540 1.00 0.00 H new ATOM 198 N ARG A 135 10.983 0.855 18.519 1.00 0.00 N ATOM 199 CA ARG A 135 12.448 1.127 18.474 1.00 0.00 C ATOM 200 C ARG A 135 13.002 0.721 17.108 1.00 0.00 C ATOM 201 O ARG A 135 12.567 -0.246 16.514 1.00 0.00 O ATOM 202 CB ARG A 135 13.149 0.322 19.570 1.00 0.00 C ATOM 203 CG ARG A 135 14.627 0.714 19.627 1.00 0.00 C ATOM 204 CD ARG A 135 15.358 -0.195 20.617 1.00 0.00 C ATOM 205 NE ARG A 135 16.775 0.245 20.742 1.00 0.00 N ATOM 206 CZ ARG A 135 17.688 -0.268 19.961 1.00 0.00 C ATOM 207 NH1 ARG A 135 17.812 0.158 18.734 1.00 0.00 N ATOM 208 NH2 ARG A 135 18.476 -1.206 20.410 1.00 0.00 N ATOM 0 H ARG A 135 10.711 -0.097 18.274 1.00 0.00 H new ATOM 0 HA ARG A 135 12.625 2.191 18.634 1.00 0.00 H new ATOM 0 HB2 ARG A 135 12.675 0.510 20.533 1.00 0.00 H new ATOM 0 HB3 ARG A 135 13.053 -0.745 19.370 1.00 0.00 H new ATOM 0 HG2 ARG A 135 15.076 0.627 18.637 1.00 0.00 H new ATOM 0 HG3 ARG A 135 14.726 1.756 19.932 1.00 0.00 H new ATOM 0 HD2 ARG A 135 14.868 -0.159 21.590 1.00 0.00 H new ATOM 0 HD3 ARG A 135 15.316 -1.230 20.277 1.00 0.00 H new ATOM 0 HE ARG A 135 17.033 0.946 21.437 1.00 0.00 H new ATOM 0 HH11 ARG A 135 17.196 0.892 18.384 1.00 0.00 H new ATOM 0 HH12 ARG A 135 18.525 -0.243 18.125 1.00 0.00 H new ATOM 0 HH21 ARG A 135 18.379 -1.538 21.370 1.00 0.00 H new ATOM 0 HH22 ARG A 135 19.189 -1.608 19.801 1.00 0.00 H new ATOM 222 N VAL A 136 13.960 1.449 16.605 1.00 0.00 N ATOM 223 CA VAL A 136 14.541 1.103 15.277 1.00 0.00 C ATOM 224 C VAL A 136 15.985 0.630 15.460 1.00 0.00 C ATOM 225 O VAL A 136 16.771 1.255 16.144 1.00 0.00 O ATOM 226 CB VAL A 136 14.519 2.337 14.373 1.00 0.00 C ATOM 227 CG1 VAL A 136 15.029 1.958 12.981 1.00 0.00 C ATOM 228 CG2 VAL A 136 13.087 2.865 14.265 1.00 0.00 C ATOM 0 H VAL A 136 14.366 2.269 17.056 1.00 0.00 H new ATOM 0 HA VAL A 136 13.953 0.307 14.819 1.00 0.00 H new ATOM 0 HB VAL A 136 15.160 3.110 14.797 1.00 0.00 H new ATOM 0 HG11 VAL A 136 15.014 2.837 12.336 1.00 0.00 H new ATOM 0 HG12 VAL A 136 16.049 1.582 13.057 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.388 1.185 12.557 1.00 0.00 H new ATOM 0 HG21 VAL A 136 13.071 3.744 13.621 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.445 2.093 13.841 1.00 0.00 H new ATOM 0 HG23 VAL A 136 12.723 3.135 15.256 1.00 0.00 H new ATOM 238 N ASN A 137 16.341 -0.468 14.853 1.00 0.00 N ATOM 239 CA ASN A 137 17.734 -0.979 14.993 1.00 0.00 C ATOM 240 C ASN A 137 18.291 -1.327 13.611 1.00 0.00 C ATOM 241 O ASN A 137 19.294 -2.001 13.487 1.00 0.00 O ATOM 242 CB ASN A 137 17.733 -2.231 15.872 1.00 0.00 C ATOM 243 CG ASN A 137 16.880 -3.317 15.215 1.00 0.00 C ATOM 244 OD1 ASN A 137 16.651 -3.287 14.022 1.00 0.00 O ATOM 245 ND2 ASN A 137 16.396 -4.283 15.946 1.00 0.00 N ATOM 0 H ASN A 137 15.728 -1.034 14.266 1.00 0.00 H new ATOM 0 HA ASN A 137 18.357 -0.212 15.454 1.00 0.00 H new ATOM 0 HB2 ASN A 137 18.753 -2.590 16.012 1.00 0.00 H new ATOM 0 HB3 ASN A 137 17.340 -1.994 16.860 1.00 0.00 H new ATOM 0 HD21 ASN A 137 15.826 -5.012 15.516 1.00 0.00 H new ATOM 0 HD22 ASN A 137 16.587 -4.310 16.948 1.00 0.00 H new ATOM 252 N ASP A 138 17.647 -0.874 12.570 1.00 0.00 N ATOM 253 CA ASP A 138 18.139 -1.179 11.198 1.00 0.00 C ATOM 254 C ASP A 138 17.934 0.042 10.299 1.00 0.00 C ATOM 255 O ASP A 138 16.954 0.751 10.412 1.00 0.00 O ATOM 256 CB ASP A 138 17.363 -2.367 10.628 1.00 0.00 C ATOM 257 CG ASP A 138 17.984 -2.793 9.297 1.00 0.00 C ATOM 258 OD1 ASP A 138 19.015 -2.243 8.944 1.00 0.00 O ATOM 259 OD2 ASP A 138 17.418 -3.661 8.652 1.00 0.00 O ATOM 0 H ASP A 138 16.801 -0.306 12.611 1.00 0.00 H new ATOM 0 HA ASP A 138 19.200 -1.426 11.241 1.00 0.00 H new ATOM 0 HB2 ASP A 138 17.382 -3.199 11.332 1.00 0.00 H new ATOM 0 HB3 ASP A 138 16.317 -2.096 10.483 1.00 0.00 H new ATOM 264 N GLY A 139 18.852 0.294 9.406 1.00 0.00 N ATOM 265 CA GLY A 139 18.709 1.470 8.501 1.00 0.00 C ATOM 266 C GLY A 139 19.133 2.739 9.244 1.00 0.00 C ATOM 267 O GLY A 139 19.365 2.723 10.436 1.00 0.00 O ATOM 0 H GLY A 139 19.694 -0.263 9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.323 1.334 7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 139 17.676 1.560 8.165 1.00 0.00 H new ATOM 271 N PRO A 140 19.237 3.861 8.516 1.00 0.00 N ATOM 272 CA PRO A 140 19.635 5.148 9.099 1.00 0.00 C ATOM 273 C PRO A 140 18.728 5.549 10.265 1.00 0.00 C ATOM 274 O PRO A 140 19.099 6.339 11.111 1.00 0.00 O ATOM 275 CB PRO A 140 19.463 6.133 7.942 1.00 0.00 C ATOM 276 CG PRO A 140 18.443 5.499 7.057 1.00 0.00 C ATOM 277 CD PRO A 140 18.652 4.016 7.172 1.00 0.00 C ATOM 0 HA PRO A 140 20.646 5.118 9.505 1.00 0.00 H new ATOM 0 HB2 PRO A 140 19.129 7.108 8.297 1.00 0.00 H new ATOM 0 HB3 PRO A 140 20.403 6.292 7.413 1.00 0.00 H new ATOM 0 HG2 PRO A 140 17.435 5.775 7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.563 5.830 6.025 1.00 0.00 H new ATOM 0 HD2 PRO A 140 17.714 3.469 7.076 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.321 3.642 6.396 1.00 0.00 H new ATOM 285 N PHE A 141 17.539 5.012 10.318 1.00 0.00 N ATOM 286 CA PHE A 141 16.612 5.363 11.429 1.00 0.00 C ATOM 287 C PHE A 141 16.902 4.471 12.639 1.00 0.00 C ATOM 288 O PHE A 141 16.200 4.509 13.630 1.00 0.00 O ATOM 289 CB PHE A 141 15.167 5.148 10.973 1.00 0.00 C ATOM 290 CG PHE A 141 14.858 6.079 9.825 1.00 0.00 C ATOM 291 CD1 PHE A 141 14.423 7.385 10.080 1.00 0.00 C ATOM 292 CD2 PHE A 141 15.007 5.635 8.506 1.00 0.00 C ATOM 293 CE1 PHE A 141 14.136 8.248 9.015 1.00 0.00 C ATOM 294 CE2 PHE A 141 14.721 6.499 7.441 1.00 0.00 C ATOM 295 CZ PHE A 141 14.286 7.805 7.696 1.00 0.00 C ATOM 0 H PHE A 141 17.171 4.346 9.639 1.00 0.00 H new ATOM 0 HA PHE A 141 16.756 6.407 11.705 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.022 4.113 10.665 1.00 0.00 H new ATOM 0 HB3 PHE A 141 14.482 5.333 11.800 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.309 7.727 11.098 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.342 4.627 8.309 1.00 0.00 H new ATOM 0 HE1 PHE A 141 13.799 9.255 9.212 1.00 0.00 H new ATOM 0 HE2 PHE A 141 14.836 6.157 6.423 1.00 0.00 H new ATOM 0 HZ PHE A 141 14.066 8.471 6.875 1.00 0.00 H new ATOM 305 N ALA A 142 17.929 3.670 12.567 1.00 0.00 N ATOM 306 CA ALA A 142 18.260 2.778 13.715 1.00 0.00 C ATOM 307 C ALA A 142 18.759 3.623 14.888 1.00 0.00 C ATOM 308 O ALA A 142 19.358 4.664 14.707 1.00 0.00 O ATOM 309 CB ALA A 142 19.352 1.792 13.295 1.00 0.00 C ATOM 0 H ALA A 142 18.553 3.594 11.764 1.00 0.00 H new ATOM 0 HA ALA A 142 17.369 2.227 14.017 1.00 0.00 H new ATOM 0 HB1 ALA A 142 19.595 1.139 14.133 1.00 0.00 H new ATOM 0 HB2 ALA A 142 18.997 1.191 12.458 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.243 2.343 12.994 1.00 0.00 H new ATOM 315 N ASP A 143 18.516 3.184 16.093 1.00 0.00 N ATOM 316 CA ASP A 143 18.976 3.962 17.277 1.00 0.00 C ATOM 317 C ASP A 143 18.072 5.181 17.468 1.00 0.00 C ATOM 318 O ASP A 143 18.490 6.201 17.982 1.00 0.00 O ATOM 319 CB ASP A 143 20.417 4.425 17.054 1.00 0.00 C ATOM 320 CG ASP A 143 21.059 4.764 18.401 1.00 0.00 C ATOM 321 OD1 ASP A 143 20.395 4.594 19.410 1.00 0.00 O ATOM 322 OD2 ASP A 143 22.203 5.188 18.400 1.00 0.00 O ATOM 0 H ASP A 143 18.019 2.320 16.308 1.00 0.00 H new ATOM 0 HA ASP A 143 18.930 3.333 18.166 1.00 0.00 H new ATOM 0 HB2 ASP A 143 20.988 3.643 16.554 1.00 0.00 H new ATOM 0 HB3 ASP A 143 20.433 5.298 16.402 1.00 0.00 H new ATOM 327 N PHE A 144 16.837 5.086 17.059 1.00 0.00 N ATOM 328 CA PHE A 144 15.909 6.240 17.217 1.00 0.00 C ATOM 329 C PHE A 144 14.559 5.741 17.739 1.00 0.00 C ATOM 330 O PHE A 144 14.112 4.664 17.401 1.00 0.00 O ATOM 331 CB PHE A 144 15.709 6.925 15.863 1.00 0.00 C ATOM 332 CG PHE A 144 16.989 7.613 15.453 1.00 0.00 C ATOM 333 CD1 PHE A 144 17.248 8.920 15.883 1.00 0.00 C ATOM 334 CD2 PHE A 144 17.914 6.946 14.642 1.00 0.00 C ATOM 335 CE1 PHE A 144 18.434 9.560 15.501 1.00 0.00 C ATOM 336 CE2 PHE A 144 19.100 7.585 14.262 1.00 0.00 C ATOM 337 CZ PHE A 144 19.360 8.892 14.690 1.00 0.00 C ATOM 0 H PHE A 144 16.431 4.259 16.622 1.00 0.00 H new ATOM 0 HA PHE A 144 16.333 6.952 17.925 1.00 0.00 H new ATOM 0 HB2 PHE A 144 15.421 6.190 15.111 1.00 0.00 H new ATOM 0 HB3 PHE A 144 14.898 7.650 15.927 1.00 0.00 H new ATOM 0 HD1 PHE A 144 16.534 9.434 16.509 1.00 0.00 H new ATOM 0 HD2 PHE A 144 17.713 5.938 14.309 1.00 0.00 H new ATOM 0 HE1 PHE A 144 18.634 10.568 15.832 1.00 0.00 H new ATOM 0 HE2 PHE A 144 19.815 7.069 13.638 1.00 0.00 H new ATOM 0 HZ PHE A 144 20.274 9.385 14.395 1.00 0.00 H new ATOM 347 N ASN A 145 13.907 6.517 18.561 1.00 0.00 N ATOM 348 CA ASN A 145 12.587 6.087 19.102 1.00 0.00 C ATOM 349 C ASN A 145 11.467 6.731 18.282 1.00 0.00 C ATOM 350 O ASN A 145 11.551 7.880 17.897 1.00 0.00 O ATOM 351 CB ASN A 145 12.466 6.524 20.563 1.00 0.00 C ATOM 352 CG ASN A 145 13.583 5.879 21.384 1.00 0.00 C ATOM 353 OD1 ASN A 145 14.126 4.862 20.999 1.00 0.00 O ATOM 354 ND2 ASN A 145 13.953 6.430 22.508 1.00 0.00 N ATOM 0 H ASN A 145 14.231 7.430 18.881 1.00 0.00 H new ATOM 0 HA ASN A 145 12.505 5.002 19.041 1.00 0.00 H new ATOM 0 HB2 ASN A 145 12.528 7.610 20.635 1.00 0.00 H new ATOM 0 HB3 ASN A 145 11.494 6.233 20.961 1.00 0.00 H new ATOM 0 HD21 ASN A 145 14.697 6.007 23.063 1.00 0.00 H new ATOM 0 HD22 ASN A 145 13.498 7.283 22.832 1.00 0.00 H new ATOM 361 N GLY A 146 10.421 6.001 18.010 1.00 0.00 N ATOM 362 CA GLY A 146 9.299 6.576 17.214 1.00 0.00 C ATOM 363 C GLY A 146 7.999 5.850 17.562 1.00 0.00 C ATOM 364 O GLY A 146 7.952 5.037 18.464 1.00 0.00 O ATOM 0 H GLY A 146 10.294 5.032 18.304 1.00 0.00 H new ATOM 0 HA2 GLY A 146 9.200 7.641 17.423 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.508 6.478 16.149 1.00 0.00 H new ATOM 368 N VAL A 147 6.942 6.136 16.853 1.00 0.00 N ATOM 369 CA VAL A 147 5.645 5.463 17.141 1.00 0.00 C ATOM 370 C VAL A 147 5.072 4.886 15.844 1.00 0.00 C ATOM 371 O VAL A 147 5.336 5.380 14.765 1.00 0.00 O ATOM 372 CB VAL A 147 4.661 6.479 17.727 1.00 0.00 C ATOM 373 CG1 VAL A 147 3.362 5.768 18.109 1.00 0.00 C ATOM 374 CG2 VAL A 147 5.276 7.124 18.971 1.00 0.00 C ATOM 0 H VAL A 147 6.921 6.808 16.086 1.00 0.00 H new ATOM 0 HA VAL A 147 5.804 4.658 17.858 1.00 0.00 H new ATOM 0 HB VAL A 147 4.448 7.250 16.986 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.661 6.491 18.526 1.00 0.00 H new ATOM 0 HG12 VAL A 147 2.925 5.308 17.223 1.00 0.00 H new ATOM 0 HG13 VAL A 147 3.573 4.998 18.851 1.00 0.00 H new ATOM 0 HG21 VAL A 147 4.576 7.848 19.389 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.488 6.354 19.713 1.00 0.00 H new ATOM 0 HG23 VAL A 147 6.202 7.630 18.698 1.00 0.00 H new ATOM 384 N VAL A 148 4.291 3.847 15.940 1.00 0.00 N ATOM 385 CA VAL A 148 3.705 3.240 14.711 1.00 0.00 C ATOM 386 C VAL A 148 2.332 3.860 14.443 1.00 0.00 C ATOM 387 O VAL A 148 1.373 3.595 15.140 1.00 0.00 O ATOM 388 CB VAL A 148 3.553 1.731 14.909 1.00 0.00 C ATOM 389 CG1 VAL A 148 2.875 1.457 16.254 1.00 0.00 C ATOM 390 CG2 VAL A 148 2.699 1.152 13.780 1.00 0.00 C ATOM 0 H VAL A 148 4.033 3.391 16.815 1.00 0.00 H new ATOM 0 HA VAL A 148 4.363 3.430 13.863 1.00 0.00 H new ATOM 0 HB VAL A 148 4.537 1.263 14.897 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.767 0.382 16.395 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.484 1.869 17.059 1.00 0.00 H new ATOM 0 HG13 VAL A 148 1.891 1.925 16.267 1.00 0.00 H new ATOM 0 HG21 VAL A 148 2.590 0.077 13.921 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.715 1.621 13.791 1.00 0.00 H new ATOM 0 HG23 VAL A 148 3.182 1.346 12.822 1.00 0.00 H new ATOM 400 N GLU A 149 2.229 4.682 13.435 1.00 0.00 N ATOM 401 CA GLU A 149 0.916 5.317 13.121 1.00 0.00 C ATOM 402 C GLU A 149 -0.039 4.259 12.564 1.00 0.00 C ATOM 403 O GLU A 149 -1.216 4.250 12.866 1.00 0.00 O ATOM 404 CB GLU A 149 1.118 6.420 12.081 1.00 0.00 C ATOM 405 CG GLU A 149 1.941 7.555 12.695 1.00 0.00 C ATOM 406 CD GLU A 149 1.185 8.143 13.888 1.00 0.00 C ATOM 407 OE1 GLU A 149 -0.004 7.893 13.993 1.00 0.00 O ATOM 408 OE2 GLU A 149 1.808 8.834 14.677 1.00 0.00 O ATOM 0 H GLU A 149 2.996 4.942 12.815 1.00 0.00 H new ATOM 0 HA GLU A 149 0.493 5.748 14.029 1.00 0.00 H new ATOM 0 HB2 GLU A 149 1.628 6.020 11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 149 0.153 6.798 11.743 1.00 0.00 H new ATOM 0 HG2 GLU A 149 2.914 7.182 13.015 1.00 0.00 H new ATOM 0 HG3 GLU A 149 2.126 8.329 11.950 1.00 0.00 H new ATOM 415 N GLU A 150 0.458 3.367 11.752 1.00 0.00 N ATOM 416 CA GLU A 150 -0.422 2.311 11.176 1.00 0.00 C ATOM 417 C GLU A 150 0.326 0.975 11.167 1.00 0.00 C ATOM 418 O GLU A 150 1.540 0.933 11.191 1.00 0.00 O ATOM 419 CB GLU A 150 -0.805 2.691 9.746 1.00 0.00 C ATOM 420 CG GLU A 150 -1.519 4.044 9.751 1.00 0.00 C ATOM 421 CD GLU A 150 -1.972 4.387 8.331 1.00 0.00 C ATOM 422 OE1 GLU A 150 -1.575 3.683 7.416 1.00 0.00 O ATOM 423 OE2 GLU A 150 -2.710 5.347 8.181 1.00 0.00 O ATOM 0 H GLU A 150 1.435 3.324 11.462 1.00 0.00 H new ATOM 0 HA GLU A 150 -1.324 2.219 11.781 1.00 0.00 H new ATOM 0 HB2 GLU A 150 0.086 2.741 9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -1.454 1.927 9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -2.379 4.011 10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -0.851 4.818 10.128 1.00 0.00 H new ATOM 430 N VAL A 151 -0.389 -0.116 11.132 1.00 0.00 N ATOM 431 CA VAL A 151 0.281 -1.446 11.121 1.00 0.00 C ATOM 432 C VAL A 151 -0.246 -2.273 9.947 1.00 0.00 C ATOM 433 O VAL A 151 -1.371 -2.114 9.518 1.00 0.00 O ATOM 434 CB VAL A 151 -0.013 -2.177 12.433 1.00 0.00 C ATOM 435 CG1 VAL A 151 0.731 -3.515 12.449 1.00 0.00 C ATOM 436 CG2 VAL A 151 0.453 -1.320 13.611 1.00 0.00 C ATOM 0 H VAL A 151 -1.408 -0.143 11.111 1.00 0.00 H new ATOM 0 HA VAL A 151 1.357 -1.309 11.015 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.085 -2.356 12.517 1.00 0.00 H new ATOM 0 HG11 VAL A 151 0.522 -4.036 13.383 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.398 -4.126 11.610 1.00 0.00 H new ATOM 0 HG13 VAL A 151 1.803 -3.336 12.365 1.00 0.00 H new ATOM 0 HG21 VAL A 151 0.243 -1.841 14.545 1.00 0.00 H new ATOM 0 HG22 VAL A 151 1.525 -1.140 13.528 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -0.077 -0.367 13.600 1.00 0.00 H new ATOM 446 N ASP A 152 0.559 -3.158 9.424 1.00 0.00 N ATOM 447 CA ASP A 152 0.104 -3.994 8.278 1.00 0.00 C ATOM 448 C ASP A 152 0.493 -5.453 8.526 1.00 0.00 C ATOM 449 O ASP A 152 1.543 -5.903 8.114 1.00 0.00 O ATOM 450 CB ASP A 152 0.768 -3.501 6.991 1.00 0.00 C ATOM 451 CG ASP A 152 0.269 -2.091 6.666 1.00 0.00 C ATOM 452 OD1 ASP A 152 -0.717 -1.683 7.257 1.00 0.00 O ATOM 453 OD2 ASP A 152 0.881 -1.445 5.832 1.00 0.00 O ATOM 0 H ASP A 152 1.512 -3.338 9.741 1.00 0.00 H new ATOM 0 HA ASP A 152 -0.979 -3.918 8.180 1.00 0.00 H new ATOM 0 HB2 ASP A 152 1.852 -3.497 7.107 1.00 0.00 H new ATOM 0 HB3 ASP A 152 0.538 -4.178 6.168 1.00 0.00 H new ATOM 458 N TYR A 153 -0.345 -6.195 9.196 1.00 0.00 N ATOM 459 CA TYR A 153 -0.023 -7.623 9.470 1.00 0.00 C ATOM 460 C TYR A 153 0.071 -8.387 8.148 1.00 0.00 C ATOM 461 O TYR A 153 0.920 -9.238 7.970 1.00 0.00 O ATOM 462 CB TYR A 153 -1.123 -8.238 10.337 1.00 0.00 C ATOM 463 CG TYR A 153 -1.176 -7.520 11.666 1.00 0.00 C ATOM 464 CD1 TYR A 153 -0.236 -7.818 12.659 1.00 0.00 C ATOM 465 CD2 TYR A 153 -2.164 -6.557 11.902 1.00 0.00 C ATOM 466 CE1 TYR A 153 -0.285 -7.153 13.890 1.00 0.00 C ATOM 467 CE2 TYR A 153 -2.213 -5.893 13.133 1.00 0.00 C ATOM 468 CZ TYR A 153 -1.273 -6.191 14.127 1.00 0.00 C ATOM 469 OH TYR A 153 -1.321 -5.535 15.341 1.00 0.00 O ATOM 0 H TYR A 153 -1.240 -5.873 9.566 1.00 0.00 H new ATOM 0 HA TYR A 153 0.930 -7.686 9.995 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -2.085 -8.161 9.831 1.00 0.00 H new ATOM 0 HB3 TYR A 153 -0.928 -9.299 10.492 1.00 0.00 H new ATOM 0 HD1 TYR A 153 0.527 -8.560 12.476 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -2.888 -6.326 11.135 1.00 0.00 H new ATOM 0 HE1 TYR A 153 0.440 -7.383 14.657 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -2.976 -5.151 13.316 1.00 0.00 H new ATOM 0 HH TYR A 153 -2.066 -4.899 15.340 1.00 0.00 H new ATOM 479 N GLU A 154 -0.795 -8.092 7.218 1.00 0.00 N ATOM 480 CA GLU A 154 -0.754 -8.801 5.909 1.00 0.00 C ATOM 481 C GLU A 154 0.578 -8.515 5.215 1.00 0.00 C ATOM 482 O GLU A 154 1.195 -9.393 4.645 1.00 0.00 O ATOM 483 CB GLU A 154 -1.905 -8.313 5.027 1.00 0.00 C ATOM 484 CG GLU A 154 -1.943 -9.134 3.737 1.00 0.00 C ATOM 485 CD GLU A 154 -3.018 -8.571 2.805 1.00 0.00 C ATOM 486 OE1 GLU A 154 -3.625 -7.576 3.166 1.00 0.00 O ATOM 487 OE2 GLU A 154 -3.216 -9.143 1.746 1.00 0.00 O ATOM 0 H GLU A 154 -1.530 -7.390 7.308 1.00 0.00 H new ATOM 0 HA GLU A 154 -0.854 -9.874 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -2.851 -8.409 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -1.776 -7.256 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -0.970 -9.105 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -2.155 -10.179 3.964 1.00 0.00 H new ATOM 494 N LYS A 155 1.029 -7.290 5.258 1.00 0.00 N ATOM 495 CA LYS A 155 2.321 -6.949 4.601 1.00 0.00 C ATOM 496 C LYS A 155 3.465 -7.104 5.606 1.00 0.00 C ATOM 497 O LYS A 155 4.603 -6.790 5.318 1.00 0.00 O ATOM 498 CB LYS A 155 2.275 -5.502 4.105 1.00 0.00 C ATOM 499 CG LYS A 155 1.173 -5.357 3.054 1.00 0.00 C ATOM 500 CD LYS A 155 1.167 -3.925 2.517 1.00 0.00 C ATOM 501 CE LYS A 155 -0.006 -3.747 1.550 1.00 0.00 C ATOM 502 NZ LYS A 155 -1.223 -4.389 2.122 1.00 0.00 N ATOM 0 H LYS A 155 0.558 -6.512 5.720 1.00 0.00 H new ATOM 0 HA LYS A 155 2.485 -7.620 3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 155 2.087 -4.826 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 155 3.238 -5.222 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.338 -6.062 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 155 0.204 -5.597 3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 155 1.083 -3.217 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 155 2.107 -3.712 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -0.189 -2.687 1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 155 0.234 -4.193 0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -2.071 -3.984 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -1.192 -5.413 1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -1.256 -4.218 3.147 1.00 0.00 H new ATOM 516 N SER A 156 3.174 -7.587 6.785 1.00 0.00 N ATOM 517 CA SER A 156 4.246 -7.759 7.804 1.00 0.00 C ATOM 518 C SER A 156 5.140 -6.518 7.818 1.00 0.00 C ATOM 519 O SER A 156 6.347 -6.609 7.724 1.00 0.00 O ATOM 520 CB SER A 156 5.086 -8.990 7.459 1.00 0.00 C ATOM 521 OG SER A 156 4.426 -9.748 6.455 1.00 0.00 O ATOM 0 H SER A 156 2.241 -7.869 7.085 1.00 0.00 H new ATOM 0 HA SER A 156 3.795 -7.892 8.787 1.00 0.00 H new ATOM 0 HB2 SER A 156 6.072 -8.684 7.109 1.00 0.00 H new ATOM 0 HB3 SER A 156 5.239 -9.600 8.349 1.00 0.00 H new ATOM 0 HG SER A 156 4.965 -10.536 6.233 1.00 0.00 H new ATOM 527 N ARG A 157 4.556 -5.358 7.935 1.00 0.00 N ATOM 528 CA ARG A 157 5.371 -4.111 7.954 1.00 0.00 C ATOM 529 C ARG A 157 4.718 -3.091 8.890 1.00 0.00 C ATOM 530 O ARG A 157 3.517 -2.913 8.888 1.00 0.00 O ATOM 531 CB ARG A 157 5.448 -3.531 6.542 1.00 0.00 C ATOM 532 CG ARG A 157 6.571 -2.494 6.475 1.00 0.00 C ATOM 533 CD ARG A 157 7.925 -3.209 6.483 1.00 0.00 C ATOM 534 NE ARG A 157 9.019 -2.198 6.467 1.00 0.00 N ATOM 535 CZ ARG A 157 9.742 -2.037 5.393 1.00 0.00 C ATOM 536 NH1 ARG A 157 9.180 -2.073 4.216 1.00 0.00 N ATOM 537 NH2 ARG A 157 11.028 -1.837 5.495 1.00 0.00 N ATOM 0 H ARG A 157 3.549 -5.219 8.018 1.00 0.00 H new ATOM 0 HA ARG A 157 6.377 -4.338 8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 157 5.631 -4.327 5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 157 4.497 -3.070 6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 157 6.471 -1.891 5.572 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.502 -1.812 7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 157 8.010 -3.839 7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 157 8.008 -3.864 5.616 1.00 0.00 H new ATOM 0 HE ARG A 157 9.203 -1.632 7.295 1.00 0.00 H new ATOM 0 HH11 ARG A 157 8.175 -2.227 4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 157 9.746 -1.947 3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 157 11.468 -1.807 6.415 1.00 0.00 H new ATOM 0 HH22 ARG A 157 11.593 -1.711 4.655 1.00 0.00 H new ATOM 551 N LEU A 158 5.501 -2.419 9.690 1.00 0.00 N ATOM 552 CA LEU A 158 4.923 -1.413 10.624 1.00 0.00 C ATOM 553 C LEU A 158 5.284 -0.004 10.146 1.00 0.00 C ATOM 554 O LEU A 158 6.404 0.263 9.761 1.00 0.00 O ATOM 555 CB LEU A 158 5.491 -1.635 12.028 1.00 0.00 C ATOM 556 CG LEU A 158 5.297 -3.098 12.429 1.00 0.00 C ATOM 557 CD1 LEU A 158 5.785 -3.302 13.865 1.00 0.00 C ATOM 558 CD2 LEU A 158 3.814 -3.461 12.338 1.00 0.00 C ATOM 0 H LEU A 158 6.515 -2.524 9.737 1.00 0.00 H new ATOM 0 HA LEU A 158 3.839 -1.522 10.648 1.00 0.00 H new ATOM 0 HB2 LEU A 158 6.550 -1.378 12.049 1.00 0.00 H new ATOM 0 HB3 LEU A 158 4.991 -0.981 12.742 1.00 0.00 H new ATOM 0 HG LEU A 158 5.869 -3.737 11.756 1.00 0.00 H new ATOM 0 HD11 LEU A 158 5.647 -4.345 14.152 1.00 0.00 H new ATOM 0 HD12 LEU A 158 6.842 -3.045 13.930 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.214 -2.662 14.538 1.00 0.00 H new ATOM 0 HD21 LEU A 158 3.676 -4.504 12.624 1.00 0.00 H new ATOM 0 HD22 LEU A 158 3.241 -2.822 13.010 1.00 0.00 H new ATOM 0 HD23 LEU A 158 3.466 -3.316 11.315 1.00 0.00 H new ATOM 570 N LYS A 159 4.341 0.898 10.168 1.00 0.00 N ATOM 571 CA LYS A 159 4.630 2.288 9.716 1.00 0.00 C ATOM 572 C LYS A 159 4.979 3.155 10.927 1.00 0.00 C ATOM 573 O LYS A 159 4.134 3.473 11.739 1.00 0.00 O ATOM 574 CB LYS A 159 3.396 2.863 9.016 1.00 0.00 C ATOM 575 CG LYS A 159 3.748 4.213 8.390 1.00 0.00 C ATOM 576 CD LYS A 159 2.560 4.719 7.569 1.00 0.00 C ATOM 577 CE LYS A 159 1.444 5.173 8.512 1.00 0.00 C ATOM 578 NZ LYS A 159 0.893 6.474 8.039 1.00 0.00 N ATOM 0 H LYS A 159 3.384 0.732 10.479 1.00 0.00 H new ATOM 0 HA LYS A 159 5.470 2.278 9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 159 3.046 2.174 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 159 2.582 2.983 9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 159 3.999 4.933 9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 159 4.627 4.113 7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 159 2.871 5.547 6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 159 2.196 3.929 6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 159 0.654 4.422 8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 159 1.830 5.276 9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 0.134 6.783 8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 1.649 7.188 8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 0.510 6.360 7.079 1.00 0.00 H new ATOM 592 N VAL A 160 6.220 3.539 11.056 1.00 0.00 N ATOM 593 CA VAL A 160 6.621 4.383 12.217 1.00 0.00 C ATOM 594 C VAL A 160 7.364 5.622 11.714 1.00 0.00 C ATOM 595 O VAL A 160 8.133 5.559 10.774 1.00 0.00 O ATOM 596 CB VAL A 160 7.538 3.579 13.139 1.00 0.00 C ATOM 597 CG1 VAL A 160 7.846 4.398 14.395 1.00 0.00 C ATOM 598 CG2 VAL A 160 6.844 2.275 13.538 1.00 0.00 C ATOM 0 H VAL A 160 6.972 3.305 10.408 1.00 0.00 H new ATOM 0 HA VAL A 160 5.732 4.691 12.767 1.00 0.00 H new ATOM 0 HB VAL A 160 8.468 3.351 12.617 1.00 0.00 H new ATOM 0 HG11 VAL A 160 8.500 3.824 15.052 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.341 5.327 14.111 1.00 0.00 H new ATOM 0 HG13 VAL A 160 6.917 4.627 14.917 1.00 0.00 H new ATOM 0 HG21 VAL A 160 7.497 1.701 14.195 1.00 0.00 H new ATOM 0 HG22 VAL A 160 5.914 2.502 14.059 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.625 1.691 12.644 1.00 0.00 H new ATOM 608 N SER A 161 7.143 6.750 12.332 1.00 0.00 N ATOM 609 CA SER A 161 7.839 7.991 11.890 1.00 0.00 C ATOM 610 C SER A 161 8.918 8.362 12.909 1.00 0.00 C ATOM 611 O SER A 161 8.775 8.124 14.092 1.00 0.00 O ATOM 612 CB SER A 161 6.824 9.133 11.783 1.00 0.00 C ATOM 613 OG SER A 161 6.337 9.455 13.077 1.00 0.00 O ATOM 0 H SER A 161 6.511 6.866 13.124 1.00 0.00 H new ATOM 0 HA SER A 161 8.301 7.822 10.918 1.00 0.00 H new ATOM 0 HB2 SER A 161 7.291 10.008 11.330 1.00 0.00 H new ATOM 0 HB3 SER A 161 5.998 8.841 11.134 1.00 0.00 H new ATOM 0 HG SER A 161 5.689 10.187 13.010 1.00 0.00 H new ATOM 619 N VAL A 162 9.996 8.942 12.460 1.00 0.00 N ATOM 620 CA VAL A 162 11.083 9.326 13.405 1.00 0.00 C ATOM 621 C VAL A 162 11.294 10.840 13.355 1.00 0.00 C ATOM 622 O VAL A 162 11.398 11.428 12.297 1.00 0.00 O ATOM 623 CB VAL A 162 12.380 8.619 13.005 1.00 0.00 C ATOM 624 CG1 VAL A 162 13.452 8.882 14.065 1.00 0.00 C ATOM 625 CG2 VAL A 162 12.128 7.114 12.898 1.00 0.00 C ATOM 0 H VAL A 162 10.172 9.167 11.481 1.00 0.00 H new ATOM 0 HA VAL A 162 10.804 9.031 14.417 1.00 0.00 H new ATOM 0 HB VAL A 162 12.720 9.000 12.042 1.00 0.00 H new ATOM 0 HG11 VAL A 162 14.376 8.379 13.781 1.00 0.00 H new ATOM 0 HG12 VAL A 162 13.632 9.954 14.142 1.00 0.00 H new ATOM 0 HG13 VAL A 162 13.113 8.501 15.028 1.00 0.00 H new ATOM 0 HG21 VAL A 162 13.051 6.610 12.613 1.00 0.00 H new ATOM 0 HG22 VAL A 162 11.789 6.733 13.861 1.00 0.00 H new ATOM 0 HG23 VAL A 162 11.364 6.926 12.144 1.00 0.00 H new ATOM 635 N SER A 163 11.359 11.477 14.492 1.00 0.00 N ATOM 636 CA SER A 163 11.565 12.952 14.509 1.00 0.00 C ATOM 637 C SER A 163 13.058 13.259 14.377 1.00 0.00 C ATOM 638 O SER A 163 13.744 13.483 15.354 1.00 0.00 O ATOM 639 CB SER A 163 11.041 13.526 15.828 1.00 0.00 C ATOM 640 OG SER A 163 11.142 14.942 15.801 1.00 0.00 O ATOM 0 H SER A 163 11.278 11.039 15.410 1.00 0.00 H new ATOM 0 HA SER A 163 11.025 13.404 13.677 1.00 0.00 H new ATOM 0 HB2 SER A 163 10.004 13.228 15.980 1.00 0.00 H new ATOM 0 HB3 SER A 163 11.614 13.126 16.664 1.00 0.00 H new ATOM 0 HG SER A 163 10.805 15.310 16.645 1.00 0.00 H new ATOM 692 N ARG A 167 12.236 17.173 12.089 1.00 0.00 N ATOM 693 CA ARG A 167 11.166 16.942 11.077 1.00 0.00 C ATOM 694 C ARG A 167 10.681 15.495 11.170 1.00 0.00 C ATOM 695 O ARG A 167 11.458 14.581 11.369 1.00 0.00 O ATOM 696 CB ARG A 167 11.722 17.206 9.676 1.00 0.00 C ATOM 697 CG ARG A 167 12.037 18.695 9.524 1.00 0.00 C ATOM 698 CD ARG A 167 12.380 18.997 8.065 1.00 0.00 C ATOM 699 NE ARG A 167 13.466 18.083 7.610 1.00 0.00 N ATOM 700 CZ ARG A 167 13.176 17.033 6.891 1.00 0.00 C ATOM 701 NH1 ARG A 167 12.654 17.179 5.704 1.00 0.00 N ATOM 702 NH2 ARG A 167 13.410 15.837 7.358 1.00 0.00 N ATOM 0 HA ARG A 167 10.332 17.617 11.269 1.00 0.00 H new ATOM 0 HB2 ARG A 167 12.623 16.614 9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 167 10.998 16.898 8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 167 11.182 19.293 9.839 1.00 0.00 H new ATOM 0 HG3 ARG A 167 12.872 18.969 10.169 1.00 0.00 H new ATOM 0 HD2 ARG A 167 11.497 18.870 7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 167 12.697 20.035 7.962 1.00 0.00 H new ATOM 0 HE ARG A 167 14.435 18.278 7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 167 12.473 18.114 5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 167 12.427 16.358 5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 167 13.820 15.723 8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 167 13.183 15.017 6.796 1.00 0.00 H new ATOM 716 N ALA A 168 9.403 15.277 11.030 1.00 0.00 N ATOM 717 CA ALA A 168 8.870 13.888 11.111 1.00 0.00 C ATOM 718 C ALA A 168 9.271 13.113 9.854 1.00 0.00 C ATOM 719 O ALA A 168 9.205 13.621 8.752 1.00 0.00 O ATOM 720 CB ALA A 168 7.344 13.931 11.217 1.00 0.00 C ATOM 0 H ALA A 168 8.704 16.001 10.863 1.00 0.00 H new ATOM 0 HA ALA A 168 9.282 13.393 11.991 1.00 0.00 H new ATOM 0 HB1 ALA A 168 6.955 12.915 11.276 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.057 14.482 12.112 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.932 14.427 10.338 1.00 0.00 H new ATOM 726 N THR A 169 9.688 11.886 10.010 1.00 0.00 N ATOM 727 CA THR A 169 10.093 11.081 8.823 1.00 0.00 C ATOM 728 C THR A 169 9.387 9.724 8.863 1.00 0.00 C ATOM 729 O THR A 169 9.975 8.718 9.206 1.00 0.00 O ATOM 730 CB THR A 169 11.609 10.867 8.846 1.00 0.00 C ATOM 731 OG1 THR A 169 12.261 12.128 8.906 1.00 0.00 O ATOM 732 CG2 THR A 169 12.040 10.127 7.579 1.00 0.00 C ATOM 0 H THR A 169 9.766 11.407 10.907 1.00 0.00 H new ATOM 0 HA THR A 169 9.814 11.610 7.912 1.00 0.00 H new ATOM 0 HB THR A 169 11.881 10.275 9.720 1.00 0.00 H new ATOM 0 HG1 THR A 169 13.232 11.994 8.923 1.00 0.00 H new ATOM 0 HG21 THR A 169 13.119 9.975 7.596 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.538 9.161 7.534 1.00 0.00 H new ATOM 0 HG23 THR A 169 11.770 10.717 6.703 1.00 0.00 H new ATOM 740 N PRO A 170 8.095 9.703 8.502 1.00 0.00 N ATOM 741 CA PRO A 170 7.296 8.470 8.493 1.00 0.00 C ATOM 742 C PRO A 170 7.969 7.362 7.678 1.00 0.00 C ATOM 743 O PRO A 170 8.074 7.443 6.471 1.00 0.00 O ATOM 744 CB PRO A 170 5.991 8.895 7.819 1.00 0.00 C ATOM 745 CG PRO A 170 6.368 10.067 6.978 1.00 0.00 C ATOM 746 CD PRO A 170 7.466 10.778 7.716 1.00 0.00 C ATOM 0 HA PRO A 170 7.161 8.062 9.495 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.577 8.089 7.213 1.00 0.00 H new ATOM 0 HB3 PRO A 170 5.233 9.162 8.555 1.00 0.00 H new ATOM 0 HG2 PRO A 170 6.706 9.746 5.993 1.00 0.00 H new ATOM 0 HG3 PRO A 170 5.513 10.726 6.823 1.00 0.00 H new ATOM 0 HD2 PRO A 170 8.175 11.244 7.032 1.00 0.00 H new ATOM 0 HD3 PRO A 170 7.074 11.569 8.356 1.00 0.00 H new ATOM 754 N VAL A 171 8.424 6.327 8.330 1.00 0.00 N ATOM 755 CA VAL A 171 9.089 5.216 7.593 1.00 0.00 C ATOM 756 C VAL A 171 8.483 3.880 8.028 1.00 0.00 C ATOM 757 O VAL A 171 7.952 3.754 9.114 1.00 0.00 O ATOM 758 CB VAL A 171 10.588 5.222 7.905 1.00 0.00 C ATOM 759 CG1 VAL A 171 11.177 6.587 7.546 1.00 0.00 C ATOM 760 CG2 VAL A 171 10.798 4.951 9.396 1.00 0.00 C ATOM 0 H VAL A 171 8.364 6.203 9.341 1.00 0.00 H new ATOM 0 HA VAL A 171 8.940 5.351 6.522 1.00 0.00 H new ATOM 0 HB VAL A 171 11.085 4.447 7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 171 12.244 6.592 7.768 1.00 0.00 H new ATOM 0 HG12 VAL A 171 11.026 6.780 6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 171 10.681 7.362 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 171 11.865 4.955 9.620 1.00 0.00 H new ATOM 0 HG22 VAL A 171 10.302 5.726 9.980 1.00 0.00 H new ATOM 0 HG23 VAL A 171 10.377 3.979 9.652 1.00 0.00 H new ATOM 770 N GLU A 172 8.558 2.882 7.191 1.00 0.00 N ATOM 771 CA GLU A 172 7.986 1.557 7.558 1.00 0.00 C ATOM 772 C GLU A 172 9.119 0.593 7.920 1.00 0.00 C ATOM 773 O GLU A 172 10.127 0.525 7.246 1.00 0.00 O ATOM 774 CB GLU A 172 7.197 0.995 6.373 1.00 0.00 C ATOM 775 CG GLU A 172 6.065 1.957 6.011 1.00 0.00 C ATOM 776 CD GLU A 172 5.234 1.361 4.873 1.00 0.00 C ATOM 777 OE1 GLU A 172 5.645 0.348 4.333 1.00 0.00 O ATOM 778 OE2 GLU A 172 4.200 1.928 4.561 1.00 0.00 O ATOM 0 H GLU A 172 8.991 2.927 6.269 1.00 0.00 H new ATOM 0 HA GLU A 172 7.322 1.674 8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 172 7.857 0.855 5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 172 6.790 0.016 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.434 2.137 6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 172 6.475 2.921 5.710 1.00 0.00 H new ATOM 785 N LEU A 173 8.961 -0.150 8.980 1.00 0.00 N ATOM 786 CA LEU A 173 10.029 -1.108 9.384 1.00 0.00 C ATOM 787 C LEU A 173 9.402 -2.462 9.722 1.00 0.00 C ATOM 788 O LEU A 173 8.286 -2.537 10.199 1.00 0.00 O ATOM 789 CB LEU A 173 10.763 -0.565 10.613 1.00 0.00 C ATOM 790 CG LEU A 173 11.289 0.840 10.314 1.00 0.00 C ATOM 791 CD1 LEU A 173 12.082 1.353 11.518 1.00 0.00 C ATOM 792 CD2 LEU A 173 12.200 0.793 9.085 1.00 0.00 C ATOM 0 H LEU A 173 8.139 -0.136 9.584 1.00 0.00 H new ATOM 0 HA LEU A 173 10.735 -1.231 8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 173 10.089 -0.538 11.470 1.00 0.00 H new ATOM 0 HB3 LEU A 173 11.589 -1.225 10.878 1.00 0.00 H new ATOM 0 HG LEU A 173 10.451 1.509 10.119 1.00 0.00 H new ATOM 0 HD11 LEU A 173 12.458 2.354 11.307 1.00 0.00 H new ATOM 0 HD12 LEU A 173 11.433 1.386 12.393 1.00 0.00 H new ATOM 0 HD13 LEU A 173 12.921 0.685 11.713 1.00 0.00 H new ATOM 0 HD21 LEU A 173 12.575 1.794 8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 173 13.039 0.125 9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 173 11.636 0.427 8.228 1.00 0.00 H new ATOM 804 N ASP A 174 10.109 -3.531 9.482 1.00 0.00 N ATOM 805 CA ASP A 174 9.552 -4.879 9.790 1.00 0.00 C ATOM 806 C ASP A 174 9.447 -5.051 11.306 1.00 0.00 C ATOM 807 O ASP A 174 9.934 -4.238 12.068 1.00 0.00 O ATOM 808 CB ASP A 174 10.475 -5.955 9.217 1.00 0.00 C ATOM 809 CG ASP A 174 10.450 -5.889 7.689 1.00 0.00 C ATOM 810 OD1 ASP A 174 9.569 -5.231 7.159 1.00 0.00 O ATOM 811 OD2 ASP A 174 11.311 -6.497 7.075 1.00 0.00 O ATOM 0 H ASP A 174 11.049 -3.530 9.086 1.00 0.00 H new ATOM 0 HA ASP A 174 8.562 -4.975 9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 174 11.492 -5.808 9.581 1.00 0.00 H new ATOM 0 HB3 ASP A 174 10.155 -6.941 9.554 1.00 0.00 H new ATOM 816 N PHE A 175 8.816 -6.102 11.752 1.00 0.00 N ATOM 817 CA PHE A 175 8.681 -6.324 13.219 1.00 0.00 C ATOM 818 C PHE A 175 10.065 -6.565 13.828 1.00 0.00 C ATOM 819 O PHE A 175 10.421 -5.981 14.832 1.00 0.00 O ATOM 820 CB PHE A 175 7.794 -7.545 13.473 1.00 0.00 C ATOM 821 CG PHE A 175 6.542 -7.454 12.628 1.00 0.00 C ATOM 822 CD1 PHE A 175 6.112 -6.215 12.135 1.00 0.00 C ATOM 823 CD2 PHE A 175 5.810 -8.612 12.341 1.00 0.00 C ATOM 824 CE1 PHE A 175 4.953 -6.137 11.354 1.00 0.00 C ATOM 825 CE2 PHE A 175 4.650 -8.533 11.561 1.00 0.00 C ATOM 826 CZ PHE A 175 4.222 -7.295 11.067 1.00 0.00 C ATOM 0 H PHE A 175 8.388 -6.817 11.164 1.00 0.00 H new ATOM 0 HA PHE A 175 8.229 -5.445 13.678 1.00 0.00 H new ATOM 0 HB2 PHE A 175 8.339 -8.458 13.234 1.00 0.00 H new ATOM 0 HB3 PHE A 175 7.528 -7.599 14.529 1.00 0.00 H new ATOM 0 HD1 PHE A 175 6.675 -5.320 12.358 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.140 -9.567 12.722 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.623 -5.182 10.973 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.086 -9.427 11.340 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.328 -7.234 10.465 1.00 0.00 H new ATOM 836 N SER A 176 10.847 -7.419 13.227 1.00 0.00 N ATOM 837 CA SER A 176 12.206 -7.696 13.772 1.00 0.00 C ATOM 838 C SER A 176 13.104 -6.477 13.549 1.00 0.00 C ATOM 839 O SER A 176 14.035 -6.236 14.291 1.00 0.00 O ATOM 840 CB SER A 176 12.804 -8.910 13.058 1.00 0.00 C ATOM 841 OG SER A 176 11.872 -9.981 13.084 1.00 0.00 O ATOM 0 H SER A 176 10.604 -7.937 12.382 1.00 0.00 H new ATOM 0 HA SER A 176 12.134 -7.902 14.840 1.00 0.00 H new ATOM 0 HB2 SER A 176 13.051 -8.654 12.028 1.00 0.00 H new ATOM 0 HB3 SER A 176 13.733 -9.210 13.544 1.00 0.00 H new ATOM 0 HG SER A 176 12.254 -10.758 12.625 1.00 0.00 H new ATOM 847 N GLN A 177 12.833 -5.709 12.530 1.00 0.00 N ATOM 848 CA GLN A 177 13.672 -4.508 12.259 1.00 0.00 C ATOM 849 C GLN A 177 13.456 -3.474 13.367 1.00 0.00 C ATOM 850 O GLN A 177 14.271 -2.597 13.578 1.00 0.00 O ATOM 851 CB GLN A 177 13.274 -3.899 10.913 1.00 0.00 C ATOM 852 CG GLN A 177 13.781 -4.795 9.780 1.00 0.00 C ATOM 853 CD GLN A 177 13.334 -4.216 8.435 1.00 0.00 C ATOM 854 OE1 GLN A 177 12.497 -3.337 8.387 1.00 0.00 O ATOM 855 NE2 GLN A 177 13.860 -4.676 7.334 1.00 0.00 N ATOM 0 H GLN A 177 12.067 -5.861 11.874 1.00 0.00 H new ATOM 0 HA GLN A 177 14.722 -4.799 12.231 1.00 0.00 H new ATOM 0 HB2 GLN A 177 12.190 -3.797 10.854 1.00 0.00 H new ATOM 0 HB3 GLN A 177 13.694 -2.898 10.816 1.00 0.00 H new ATOM 0 HG2 GLN A 177 14.868 -4.864 9.815 1.00 0.00 H new ATOM 0 HG3 GLN A 177 13.393 -5.806 9.900 1.00 0.00 H new ATOM 0 HE21 GLN A 177 14.563 -5.414 7.374 1.00 0.00 H new ATOM 0 HE22 GLN A 177 13.569 -4.298 6.433 1.00 0.00 H new ATOM 864 N VAL A 178 12.365 -3.569 14.075 1.00 0.00 N ATOM 865 CA VAL A 178 12.099 -2.590 15.168 1.00 0.00 C ATOM 866 C VAL A 178 11.701 -3.341 16.440 1.00 0.00 C ATOM 867 O VAL A 178 11.295 -4.486 16.396 1.00 0.00 O ATOM 868 CB VAL A 178 10.960 -1.658 14.748 1.00 0.00 C ATOM 869 CG1 VAL A 178 11.289 -1.033 13.392 1.00 0.00 C ATOM 870 CG2 VAL A 178 9.660 -2.457 14.641 1.00 0.00 C ATOM 0 H VAL A 178 11.646 -4.281 13.945 1.00 0.00 H new ATOM 0 HA VAL A 178 12.998 -2.004 15.359 1.00 0.00 H new ATOM 0 HB VAL A 178 10.841 -0.870 15.492 1.00 0.00 H new ATOM 0 HG11 VAL A 178 10.479 -0.369 13.091 1.00 0.00 H new ATOM 0 HG12 VAL A 178 12.215 -0.464 13.469 1.00 0.00 H new ATOM 0 HG13 VAL A 178 11.408 -1.820 12.648 1.00 0.00 H new ATOM 0 HG21 VAL A 178 8.849 -1.793 14.342 1.00 0.00 H new ATOM 0 HG22 VAL A 178 9.777 -3.245 13.897 1.00 0.00 H new ATOM 0 HG23 VAL A 178 9.426 -2.903 15.608 1.00 0.00 H new ATOM 880 N GLU A 179 11.813 -2.707 17.575 1.00 0.00 N ATOM 881 CA GLU A 179 11.442 -3.385 18.848 1.00 0.00 C ATOM 882 C GLU A 179 10.478 -2.497 19.638 1.00 0.00 C ATOM 883 O GLU A 179 10.296 -1.336 19.331 1.00 0.00 O ATOM 884 CB GLU A 179 12.701 -3.636 19.679 1.00 0.00 C ATOM 885 CG GLU A 179 13.769 -4.294 18.803 1.00 0.00 C ATOM 886 CD GLU A 179 14.940 -4.745 19.679 1.00 0.00 C ATOM 887 OE1 GLU A 179 15.020 -4.288 20.807 1.00 0.00 O ATOM 888 OE2 GLU A 179 15.737 -5.539 19.206 1.00 0.00 O ATOM 0 H GLU A 179 12.146 -1.748 17.675 1.00 0.00 H new ATOM 0 HA GLU A 179 10.959 -4.336 18.624 1.00 0.00 H new ATOM 0 HB2 GLU A 179 13.076 -2.696 20.083 1.00 0.00 H new ATOM 0 HB3 GLU A 179 12.467 -4.277 20.529 1.00 0.00 H new ATOM 0 HG2 GLU A 179 13.346 -5.148 18.275 1.00 0.00 H new ATOM 0 HG3 GLU A 179 14.117 -3.592 18.046 1.00 0.00 H new ATOM 895 N LYS A 180 9.859 -3.034 20.652 1.00 0.00 N ATOM 896 CA LYS A 180 8.907 -2.220 21.461 1.00 0.00 C ATOM 897 C LYS A 180 9.673 -1.120 22.196 1.00 0.00 C ATOM 898 O LYS A 180 10.804 -1.302 22.604 1.00 0.00 O ATOM 899 CB LYS A 180 8.204 -3.120 22.479 1.00 0.00 C ATOM 900 CG LYS A 180 7.316 -4.126 21.743 1.00 0.00 C ATOM 901 CD LYS A 180 6.145 -3.388 21.091 1.00 0.00 C ATOM 902 CE LYS A 180 5.114 -4.405 20.597 1.00 0.00 C ATOM 903 NZ LYS A 180 4.269 -4.851 21.740 1.00 0.00 N ATOM 0 H LYS A 180 9.971 -4.001 20.956 1.00 0.00 H new ATOM 0 HA LYS A 180 8.165 -1.768 20.803 1.00 0.00 H new ATOM 0 HB2 LYS A 180 8.941 -3.645 23.086 1.00 0.00 H new ATOM 0 HB3 LYS A 180 7.602 -2.517 23.159 1.00 0.00 H new ATOM 0 HG2 LYS A 180 7.895 -4.653 20.985 1.00 0.00 H new ATOM 0 HG3 LYS A 180 6.944 -4.877 22.440 1.00 0.00 H new ATOM 0 HD2 LYS A 180 5.686 -2.707 21.808 1.00 0.00 H new ATOM 0 HD3 LYS A 180 6.501 -2.781 20.258 1.00 0.00 H new ATOM 0 HE2 LYS A 180 4.490 -3.959 19.822 1.00 0.00 H new ATOM 0 HE3 LYS A 180 5.618 -5.261 20.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 3.476 -5.421 21.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 4.842 -5.424 22.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 3.899 -4.020 22.243 1.00 0.00 H new ATOM 917 N ALA A 181 9.069 0.024 22.369 1.00 0.00 N ATOM 918 CA ALA A 181 9.762 1.135 23.078 1.00 0.00 C ATOM 919 C ALA A 181 9.959 0.758 24.548 1.00 0.00 C ATOM 920 O ALA A 181 10.321 1.580 25.366 1.00 0.00 O ATOM 921 CB ALA A 181 8.915 2.406 22.986 1.00 0.00 C ATOM 0 H ALA A 181 8.124 0.237 22.049 1.00 0.00 H new ATOM 0 HA ALA A 181 10.733 1.312 22.615 1.00 0.00 H new ATOM 0 HB1 ALA A 181 9.422 3.219 23.505 1.00 0.00 H new ATOM 0 HB2 ALA A 181 8.775 2.675 21.939 1.00 0.00 H new ATOM 0 HB3 ALA A 181 7.944 2.230 23.448 1.00 0.00 H new