USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 385 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 133 MET CE :methyl -152:sc= -0.58 (180deg=-2.38!) USER MOD Single : A 137 ASN : amide:sc= -0.777 X(o=-0.78,f=-0.62!) USER MOD Single : A 145 ASN : amide:sc= 0 K(o=0,f=-2.2) 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= -0.424 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= -6.71! C(o=-6.7!,f=-13!) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PHE A 128 1.996 -4.847 18.054 1.00 0.00 N ATOM 95 CA PHE A 128 2.163 -3.374 17.910 1.00 0.00 C ATOM 96 C PHE A 128 0.820 -2.745 17.534 1.00 0.00 C ATOM 97 O PHE A 128 0.140 -3.201 16.636 1.00 0.00 O ATOM 98 CB PHE A 128 3.188 -3.079 16.814 1.00 0.00 C ATOM 99 CG PHE A 128 4.488 -3.776 17.139 1.00 0.00 C ATOM 100 CD1 PHE A 128 5.447 -3.135 17.931 1.00 0.00 C ATOM 101 CD2 PHE A 128 4.735 -5.063 16.647 1.00 0.00 C ATOM 102 CE1 PHE A 128 6.653 -3.780 18.232 1.00 0.00 C ATOM 103 CE2 PHE A 128 5.940 -5.709 16.947 1.00 0.00 C ATOM 104 CZ PHE A 128 6.899 -5.068 17.740 1.00 0.00 C ATOM 0 HA PHE A 128 2.512 -2.954 18.854 1.00 0.00 H new ATOM 0 HB2 PHE A 128 2.812 -3.419 15.849 1.00 0.00 H new ATOM 0 HB3 PHE A 128 3.350 -2.004 16.732 1.00 0.00 H new ATOM 0 HD1 PHE A 128 5.257 -2.142 18.311 1.00 0.00 H new ATOM 0 HD2 PHE A 128 3.995 -5.558 16.035 1.00 0.00 H new ATOM 0 HE1 PHE A 128 7.393 -3.285 18.843 1.00 0.00 H new ATOM 0 HE2 PHE A 128 6.130 -6.702 16.567 1.00 0.00 H new ATOM 0 HZ PHE A 128 7.828 -5.567 17.972 1.00 0.00 H new ATOM 114 N GLU A 129 0.432 -1.699 18.212 1.00 0.00 N ATOM 115 CA GLU A 129 -0.867 -1.043 17.892 1.00 0.00 C ATOM 116 C GLU A 129 -0.649 0.461 17.716 1.00 0.00 C ATOM 117 O GLU A 129 0.230 1.044 18.318 1.00 0.00 O ATOM 118 CB GLU A 129 -1.857 -1.285 19.032 1.00 0.00 C ATOM 119 CG GLU A 129 -2.656 -2.560 18.753 1.00 0.00 C ATOM 120 CD GLU A 129 -4.148 -2.228 18.704 1.00 0.00 C ATOM 121 OE1 GLU A 129 -4.642 -1.669 19.669 1.00 0.00 O ATOM 122 OE2 GLU A 129 -4.771 -2.537 17.703 1.00 0.00 O ATOM 0 H GLU A 129 0.959 -1.271 18.973 1.00 0.00 H new ATOM 0 HA GLU A 129 -1.268 -1.463 16.969 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -1.323 -1.377 19.978 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -2.532 -0.434 19.129 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -2.340 -3.000 17.807 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -2.463 -3.300 19.530 1.00 0.00 H new ATOM 129 N PRO A 130 -1.472 1.098 16.869 1.00 0.00 N ATOM 130 CA PRO A 130 -1.377 2.539 16.605 1.00 0.00 C ATOM 131 C PRO A 130 -1.260 3.347 17.900 1.00 0.00 C ATOM 132 O PRO A 130 -2.099 3.260 18.775 1.00 0.00 O ATOM 133 CB PRO A 130 -2.696 2.863 15.905 1.00 0.00 C ATOM 134 CG PRO A 130 -3.638 1.805 16.371 1.00 0.00 C ATOM 135 CD PRO A 130 -2.814 0.566 16.574 1.00 0.00 C ATOM 0 HA PRO A 130 -0.494 2.790 16.017 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.053 3.858 16.172 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.584 2.845 14.821 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -4.128 2.102 17.298 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -4.424 1.633 15.636 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -3.196 -0.041 17.395 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.810 -0.065 15.685 1.00 0.00 H new ATOM 143 N GLY A 131 -0.228 4.134 18.029 1.00 0.00 N ATOM 144 CA GLY A 131 -0.060 4.946 19.267 1.00 0.00 C ATOM 145 C GLY A 131 0.931 4.253 20.206 1.00 0.00 C ATOM 146 O GLY A 131 1.194 4.718 21.298 1.00 0.00 O ATOM 0 H GLY A 131 0.506 4.250 17.331 1.00 0.00 H new ATOM 0 HA2 GLY A 131 0.300 5.943 19.014 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -1.021 5.071 19.765 1.00 0.00 H new ATOM 150 N GLU A 132 1.484 3.146 19.792 1.00 0.00 N ATOM 151 CA GLU A 132 2.457 2.428 20.664 1.00 0.00 C ATOM 152 C GLU A 132 3.876 2.899 20.339 1.00 0.00 C ATOM 153 O GLU A 132 4.218 3.126 19.195 1.00 0.00 O ATOM 154 CB GLU A 132 2.350 0.923 20.416 1.00 0.00 C ATOM 155 CG GLU A 132 1.011 0.411 20.948 1.00 0.00 C ATOM 156 CD GLU A 132 0.916 0.696 22.448 1.00 0.00 C ATOM 157 OE1 GLU A 132 1.951 0.914 23.057 1.00 0.00 O ATOM 158 OE2 GLU A 132 -0.190 0.692 22.965 1.00 0.00 O ATOM 0 H GLU A 132 1.305 2.708 18.889 1.00 0.00 H new ATOM 0 HA GLU A 132 2.234 2.640 21.710 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.434 0.713 19.350 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.172 0.403 20.909 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.189 0.896 20.422 1.00 0.00 H new ATOM 0 HG3 GLU A 132 0.920 -0.659 20.764 1.00 0.00 H new ATOM 165 N MET A 133 4.705 3.048 21.335 1.00 0.00 N ATOM 166 CA MET A 133 6.100 3.503 21.083 1.00 0.00 C ATOM 167 C MET A 133 6.908 2.356 20.471 1.00 0.00 C ATOM 168 O MET A 133 6.746 1.208 20.834 1.00 0.00 O ATOM 169 CB MET A 133 6.744 3.933 22.402 1.00 0.00 C ATOM 170 CG MET A 133 5.954 5.101 22.997 1.00 0.00 C ATOM 171 SD MET A 133 6.101 6.543 21.913 1.00 0.00 S ATOM 172 CE MET A 133 7.909 6.644 21.914 1.00 0.00 C ATOM 0 H MET A 133 4.476 2.874 22.314 1.00 0.00 H new ATOM 0 HA MET A 133 6.087 4.347 20.394 1.00 0.00 H new ATOM 0 HB2 MET A 133 6.760 3.097 23.101 1.00 0.00 H new ATOM 0 HB3 MET A 133 7.780 4.228 22.234 1.00 0.00 H new ATOM 0 HG2 MET A 133 4.906 4.824 23.112 1.00 0.00 H new ATOM 0 HG3 MET A 133 6.331 5.340 23.991 1.00 0.00 H new ATOM 0 HE1 MET A 133 8.216 7.677 21.751 1.00 0.00 H new ATOM 0 HE2 MET A 133 8.292 6.299 22.874 1.00 0.00 H new ATOM 0 HE3 MET A 133 8.309 6.017 21.117 1.00 0.00 H new ATOM 182 N VAL A 134 7.777 2.657 19.545 1.00 0.00 N ATOM 183 CA VAL A 134 8.593 1.583 18.912 1.00 0.00 C ATOM 184 C VAL A 134 10.069 1.989 18.932 1.00 0.00 C ATOM 185 O VAL A 134 10.422 3.054 19.396 1.00 0.00 O ATOM 186 CB VAL A 134 8.138 1.384 17.464 1.00 0.00 C ATOM 187 CG1 VAL A 134 8.580 0.004 16.974 1.00 0.00 C ATOM 188 CG2 VAL A 134 6.614 1.488 17.389 1.00 0.00 C ATOM 0 H VAL A 134 7.957 3.600 19.200 1.00 0.00 H new ATOM 0 HA VAL A 134 8.463 0.652 19.464 1.00 0.00 H new ATOM 0 HB VAL A 134 8.586 2.153 16.834 1.00 0.00 H new ATOM 0 HG11 VAL A 134 8.256 -0.137 15.943 1.00 0.00 H new ATOM 0 HG12 VAL A 134 9.666 -0.070 17.026 1.00 0.00 H new ATOM 0 HG13 VAL A 134 8.133 -0.766 17.603 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.290 1.346 16.358 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.165 0.720 18.019 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.299 2.472 17.736 1.00 0.00 H new ATOM 198 N ARG A 135 10.932 1.147 18.432 1.00 0.00 N ATOM 199 CA ARG A 135 12.382 1.486 18.423 1.00 0.00 C ATOM 200 C ARG A 135 13.016 0.975 17.128 1.00 0.00 C ATOM 201 O ARG A 135 12.767 -0.134 16.699 1.00 0.00 O ATOM 202 CB ARG A 135 13.069 0.826 19.621 1.00 0.00 C ATOM 203 CG ARG A 135 14.513 1.322 19.717 1.00 0.00 C ATOM 204 CD ARG A 135 15.245 0.551 20.818 1.00 0.00 C ATOM 205 NE ARG A 135 16.607 1.125 21.005 1.00 0.00 N ATOM 206 CZ ARG A 135 16.847 1.923 22.008 1.00 0.00 C ATOM 207 NH1 ARG A 135 16.646 3.207 21.884 1.00 0.00 N ATOM 208 NH2 ARG A 135 17.286 1.438 23.137 1.00 0.00 N ATOM 0 H ARG A 135 10.695 0.240 18.030 1.00 0.00 H new ATOM 0 HA ARG A 135 12.502 2.568 18.486 1.00 0.00 H new ATOM 0 HB2 ARG A 135 12.530 1.062 20.539 1.00 0.00 H new ATOM 0 HB3 ARG A 135 13.052 -0.258 19.512 1.00 0.00 H new ATOM 0 HG2 ARG A 135 15.021 1.184 18.762 1.00 0.00 H new ATOM 0 HG3 ARG A 135 14.528 2.390 19.934 1.00 0.00 H new ATOM 0 HD2 ARG A 135 14.684 0.607 21.751 1.00 0.00 H new ATOM 0 HD3 ARG A 135 15.317 -0.504 20.552 1.00 0.00 H new ATOM 0 HE ARG A 135 17.352 0.894 20.348 1.00 0.00 H new ATOM 0 HH11 ARG A 135 16.301 3.586 21.002 1.00 0.00 H new ATOM 0 HH12 ARG A 135 16.834 3.831 22.669 1.00 0.00 H new ATOM 0 HH21 ARG A 135 17.441 0.435 23.235 1.00 0.00 H new ATOM 0 HH22 ARG A 135 17.474 2.062 23.922 1.00 0.00 H new ATOM 222 N VAL A 136 13.834 1.776 16.501 1.00 0.00 N ATOM 223 CA VAL A 136 14.482 1.335 15.234 1.00 0.00 C ATOM 224 C VAL A 136 15.956 1.022 15.498 1.00 0.00 C ATOM 225 O VAL A 136 16.657 1.781 16.139 1.00 0.00 O ATOM 226 CB VAL A 136 14.375 2.450 14.191 1.00 0.00 C ATOM 227 CG1 VAL A 136 15.048 2.000 12.893 1.00 0.00 C ATOM 228 CG2 VAL A 136 12.900 2.756 13.922 1.00 0.00 C ATOM 0 H VAL A 136 14.081 2.716 16.811 1.00 0.00 H new ATOM 0 HA VAL A 136 13.982 0.441 14.862 1.00 0.00 H new ATOM 0 HB VAL A 136 14.870 3.347 14.565 1.00 0.00 H new ATOM 0 HG11 VAL A 136 14.972 2.794 12.150 1.00 0.00 H new ATOM 0 HG12 VAL A 136 16.099 1.782 13.085 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.553 1.104 12.519 1.00 0.00 H new ATOM 0 HG21 VAL A 136 12.823 3.550 13.179 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.405 1.860 13.548 1.00 0.00 H new ATOM 0 HG23 VAL A 136 12.420 3.076 14.847 1.00 0.00 H new ATOM 238 N ASN A 137 16.432 -0.090 15.008 1.00 0.00 N ATOM 239 CA ASN A 137 17.861 -0.450 15.231 1.00 0.00 C ATOM 240 C ASN A 137 18.491 -0.876 13.905 1.00 0.00 C ATOM 241 O ASN A 137 19.486 -1.575 13.875 1.00 0.00 O ATOM 242 CB ASN A 137 17.945 -1.604 16.231 1.00 0.00 C ATOM 243 CG ASN A 137 17.451 -2.891 15.567 1.00 0.00 C ATOM 244 OD1 ASN A 137 18.185 -3.536 14.845 1.00 0.00 O ATOM 245 ND2 ASN A 137 16.228 -3.295 15.780 1.00 0.00 N ATOM 0 H ASN A 137 15.894 -0.764 14.464 1.00 0.00 H new ATOM 0 HA ASN A 137 18.397 0.413 15.627 1.00 0.00 H new ATOM 0 HB2 ASN A 137 18.973 -1.729 16.572 1.00 0.00 H new ATOM 0 HB3 ASN A 137 17.342 -1.381 17.111 1.00 0.00 H new ATOM 0 HD21 ASN A 137 15.890 -4.151 15.341 1.00 0.00 H new ATOM 0 HD22 ASN A 137 15.611 -2.755 16.386 1.00 0.00 H new ATOM 252 N ASP A 138 17.921 -0.462 12.806 1.00 0.00 N ATOM 253 CA ASP A 138 18.489 -0.845 11.483 1.00 0.00 C ATOM 254 C ASP A 138 18.343 0.325 10.508 1.00 0.00 C ATOM 255 O ASP A 138 17.493 1.178 10.671 1.00 0.00 O ATOM 256 CB ASP A 138 17.736 -2.060 10.938 1.00 0.00 C ATOM 257 CG ASP A 138 18.482 -2.622 9.727 1.00 0.00 C ATOM 258 OD1 ASP A 138 19.551 -2.117 9.428 1.00 0.00 O ATOM 259 OD2 ASP A 138 17.972 -3.550 9.119 1.00 0.00 O ATOM 0 H ASP A 138 17.087 0.124 12.768 1.00 0.00 H new ATOM 0 HA ASP A 138 19.544 -1.093 11.598 1.00 0.00 H new ATOM 0 HB2 ASP A 138 17.648 -2.824 11.711 1.00 0.00 H new ATOM 0 HB3 ASP A 138 16.723 -1.776 10.654 1.00 0.00 H new ATOM 264 N GLY A 139 19.164 0.372 9.494 1.00 0.00 N ATOM 265 CA GLY A 139 19.071 1.487 8.511 1.00 0.00 C ATOM 266 C GLY A 139 19.367 2.814 9.213 1.00 0.00 C ATOM 267 O GLY A 139 19.402 2.891 10.425 1.00 0.00 O ATOM 0 H GLY A 139 19.895 -0.314 9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.779 1.328 7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 139 18.076 1.512 8.067 1.00 0.00 H new ATOM 271 N PRO A 140 19.585 3.879 8.428 1.00 0.00 N ATOM 272 CA PRO A 140 19.882 5.212 8.968 1.00 0.00 C ATOM 273 C PRO A 140 18.962 5.569 10.139 1.00 0.00 C ATOM 274 O PRO A 140 19.301 6.371 10.985 1.00 0.00 O ATOM 275 CB PRO A 140 19.609 6.145 7.788 1.00 0.00 C ATOM 276 CG PRO A 140 18.634 5.403 6.939 1.00 0.00 C ATOM 277 CD PRO A 140 18.968 3.945 7.092 1.00 0.00 C ATOM 0 HA PRO A 140 20.898 5.279 9.356 1.00 0.00 H new ATOM 0 HB2 PRO A 140 19.198 7.098 8.123 1.00 0.00 H new ATOM 0 HB3 PRO A 140 20.524 6.368 7.239 1.00 0.00 H new ATOM 0 HG2 PRO A 140 17.611 5.603 7.256 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.711 5.713 5.897 1.00 0.00 H new ATOM 0 HD2 PRO A 140 18.078 3.319 7.028 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.653 3.605 6.315 1.00 0.00 H new ATOM 285 N PHE A 141 17.800 4.977 10.194 1.00 0.00 N ATOM 286 CA PHE A 141 16.861 5.283 11.310 1.00 0.00 C ATOM 287 C PHE A 141 17.176 4.379 12.504 1.00 0.00 C ATOM 288 O PHE A 141 16.392 4.252 13.422 1.00 0.00 O ATOM 289 CB PHE A 141 15.423 5.035 10.850 1.00 0.00 C ATOM 290 CG PHE A 141 15.118 5.909 9.657 1.00 0.00 C ATOM 291 CD1 PHE A 141 14.636 7.209 9.846 1.00 0.00 C ATOM 292 CD2 PHE A 141 15.317 5.418 8.360 1.00 0.00 C ATOM 293 CE1 PHE A 141 14.353 8.019 8.740 1.00 0.00 C ATOM 294 CE2 PHE A 141 15.035 6.228 7.253 1.00 0.00 C ATOM 295 CZ PHE A 141 14.553 7.528 7.443 1.00 0.00 C ATOM 0 H PHE A 141 17.461 4.295 9.515 1.00 0.00 H new ATOM 0 HA PHE A 141 16.974 6.327 11.603 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.289 3.985 10.589 1.00 0.00 H new ATOM 0 HB3 PHE A 141 14.728 5.253 11.661 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.482 7.588 10.846 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.688 4.414 8.214 1.00 0.00 H new ATOM 0 HE1 PHE A 141 13.981 9.022 8.886 1.00 0.00 H new ATOM 0 HE2 PHE A 141 15.189 5.850 6.253 1.00 0.00 H new ATOM 0 HZ PHE A 141 14.335 8.153 6.590 1.00 0.00 H new ATOM 305 N ALA A 142 18.320 3.751 12.498 1.00 0.00 N ATOM 306 CA ALA A 142 18.684 2.855 13.631 1.00 0.00 C ATOM 307 C ALA A 142 19.045 3.700 14.855 1.00 0.00 C ATOM 308 O ALA A 142 19.610 4.768 14.738 1.00 0.00 O ATOM 309 CB ALA A 142 19.884 1.993 13.236 1.00 0.00 C ATOM 0 H ALA A 142 19.018 3.820 11.757 1.00 0.00 H new ATOM 0 HA ALA A 142 17.837 2.211 13.870 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.150 1.338 14.065 1.00 0.00 H new ATOM 0 HB2 ALA A 142 19.628 1.390 12.365 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.731 2.636 12.996 1.00 0.00 H new ATOM 315 N ASP A 143 18.723 3.228 16.028 1.00 0.00 N ATOM 316 CA ASP A 143 19.049 4.004 17.257 1.00 0.00 C ATOM 317 C ASP A 143 18.146 5.237 17.338 1.00 0.00 C ATOM 318 O ASP A 143 18.592 6.326 17.643 1.00 0.00 O ATOM 319 CB ASP A 143 20.512 4.446 17.207 1.00 0.00 C ATOM 320 CG ASP A 143 21.380 3.281 16.727 1.00 0.00 C ATOM 321 OD1 ASP A 143 20.934 2.151 16.838 1.00 0.00 O ATOM 322 OD2 ASP A 143 22.476 3.539 16.256 1.00 0.00 O ATOM 0 H ASP A 143 18.249 2.339 16.188 1.00 0.00 H new ATOM 0 HA ASP A 143 18.888 3.378 18.135 1.00 0.00 H new ATOM 0 HB2 ASP A 143 20.623 5.297 16.535 1.00 0.00 H new ATOM 0 HB3 ASP A 143 20.838 4.774 18.194 1.00 0.00 H new ATOM 327 N PHE A 144 16.880 5.076 17.066 1.00 0.00 N ATOM 328 CA PHE A 144 15.951 6.238 17.127 1.00 0.00 C ATOM 329 C PHE A 144 14.605 5.787 17.697 1.00 0.00 C ATOM 330 O PHE A 144 14.115 4.720 17.386 1.00 0.00 O ATOM 331 CB PHE A 144 15.745 6.801 15.719 1.00 0.00 C ATOM 332 CG PHE A 144 17.003 7.506 15.271 1.00 0.00 C ATOM 333 CD1 PHE A 144 17.204 8.854 15.593 1.00 0.00 C ATOM 334 CD2 PHE A 144 17.969 6.813 14.532 1.00 0.00 C ATOM 335 CE1 PHE A 144 18.370 9.507 15.177 1.00 0.00 C ATOM 336 CE2 PHE A 144 19.135 7.466 14.115 1.00 0.00 C ATOM 337 CZ PHE A 144 19.336 8.813 14.438 1.00 0.00 C ATOM 0 H PHE A 144 16.449 4.189 16.804 1.00 0.00 H new ATOM 0 HA PHE A 144 16.377 7.009 17.769 1.00 0.00 H new ATOM 0 HB2 PHE A 144 15.500 5.996 15.026 1.00 0.00 H new ATOM 0 HB3 PHE A 144 14.904 7.495 15.712 1.00 0.00 H new ATOM 0 HD1 PHE A 144 16.459 9.390 16.162 1.00 0.00 H new ATOM 0 HD2 PHE A 144 17.815 5.773 14.283 1.00 0.00 H new ATOM 0 HE1 PHE A 144 18.525 10.546 15.426 1.00 0.00 H new ATOM 0 HE2 PHE A 144 19.879 6.931 13.544 1.00 0.00 H new ATOM 0 HZ PHE A 144 20.236 9.317 14.117 1.00 0.00 H new ATOM 347 N ASN A 145 14.003 6.591 18.531 1.00 0.00 N ATOM 348 CA ASN A 145 12.689 6.207 19.120 1.00 0.00 C ATOM 349 C ASN A 145 11.560 6.796 18.274 1.00 0.00 C ATOM 350 O ASN A 145 11.630 7.924 17.827 1.00 0.00 O ATOM 351 CB ASN A 145 12.593 6.747 20.548 1.00 0.00 C ATOM 352 CG ASN A 145 13.694 6.121 21.407 1.00 0.00 C ATOM 353 OD1 ASN A 145 14.230 5.085 21.069 1.00 0.00 O ATOM 354 ND2 ASN A 145 14.057 6.712 22.513 1.00 0.00 N ATOM 0 H ASN A 145 14.364 7.497 18.830 1.00 0.00 H new ATOM 0 HA ASN A 145 12.601 5.121 19.136 1.00 0.00 H new ATOM 0 HB2 ASN A 145 12.693 7.832 20.545 1.00 0.00 H new ATOM 0 HB3 ASN A 145 11.614 6.518 20.969 1.00 0.00 H new ATOM 0 HD21 ASN A 145 14.790 6.304 23.093 1.00 0.00 H new ATOM 0 HD22 ASN A 145 13.607 7.582 22.798 1.00 0.00 H new ATOM 361 N GLY A 146 10.518 6.043 18.050 1.00 0.00 N ATOM 362 CA GLY A 146 9.385 6.563 17.233 1.00 0.00 C ATOM 363 C GLY A 146 8.092 5.856 17.646 1.00 0.00 C ATOM 364 O GLY A 146 8.087 5.009 18.517 1.00 0.00 O ATOM 0 H GLY A 146 10.402 5.091 18.397 1.00 0.00 H new ATOM 0 HA2 GLY A 146 9.285 7.639 17.374 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.580 6.397 16.174 1.00 0.00 H new ATOM 368 N VAL A 147 6.995 6.198 17.028 1.00 0.00 N ATOM 369 CA VAL A 147 5.704 5.547 17.386 1.00 0.00 C ATOM 370 C VAL A 147 5.080 4.930 16.133 1.00 0.00 C ATOM 371 O VAL A 147 5.291 5.395 15.031 1.00 0.00 O ATOM 372 CB VAL A 147 4.750 6.590 17.970 1.00 0.00 C ATOM 373 CG1 VAL A 147 3.496 5.894 18.505 1.00 0.00 C ATOM 374 CG2 VAL A 147 5.445 7.334 19.112 1.00 0.00 C ATOM 0 H VAL A 147 6.937 6.900 16.291 1.00 0.00 H new ATOM 0 HA VAL A 147 5.884 4.766 18.125 1.00 0.00 H new ATOM 0 HB VAL A 147 4.468 7.299 17.192 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.817 6.638 18.921 1.00 0.00 H new ATOM 0 HG12 VAL A 147 3.000 5.363 17.692 1.00 0.00 H new ATOM 0 HG13 VAL A 147 3.778 5.184 19.283 1.00 0.00 H new ATOM 0 HG21 VAL A 147 4.765 8.078 19.529 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.728 6.624 19.890 1.00 0.00 H new ATOM 0 HG23 VAL A 147 6.338 7.831 18.732 1.00 0.00 H new ATOM 384 N VAL A 148 4.314 3.886 16.291 1.00 0.00 N ATOM 385 CA VAL A 148 3.679 3.241 15.108 1.00 0.00 C ATOM 386 C VAL A 148 2.346 3.927 14.805 1.00 0.00 C ATOM 387 O VAL A 148 1.324 3.599 15.375 1.00 0.00 O ATOM 388 CB VAL A 148 3.435 1.759 15.404 1.00 0.00 C ATOM 389 CG1 VAL A 148 2.692 1.620 16.735 1.00 0.00 C ATOM 390 CG2 VAL A 148 2.592 1.148 14.283 1.00 0.00 C ATOM 0 H VAL A 148 4.100 3.452 17.189 1.00 0.00 H new ATOM 0 HA VAL A 148 4.339 3.336 14.246 1.00 0.00 H new ATOM 0 HB VAL A 148 4.391 1.238 15.466 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.518 0.565 16.946 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.292 2.056 17.534 1.00 0.00 H new ATOM 0 HG13 VAL A 148 1.736 2.140 16.674 1.00 0.00 H new ATOM 0 HG21 VAL A 148 2.418 0.093 14.493 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.636 1.668 14.221 1.00 0.00 H new ATOM 0 HG23 VAL A 148 3.121 1.247 13.335 1.00 0.00 H new ATOM 400 N GLU A 149 2.346 4.876 13.908 1.00 0.00 N ATOM 401 CA GLU A 149 1.078 5.579 13.569 1.00 0.00 C ATOM 402 C GLU A 149 0.112 4.594 12.905 1.00 0.00 C ATOM 403 O GLU A 149 -1.084 4.647 13.111 1.00 0.00 O ATOM 404 CB GLU A 149 1.375 6.729 12.603 1.00 0.00 C ATOM 405 CG GLU A 149 2.276 7.753 13.294 1.00 0.00 C ATOM 406 CD GLU A 149 2.475 8.960 12.374 1.00 0.00 C ATOM 407 OE1 GLU A 149 2.082 8.872 11.222 1.00 0.00 O ATOM 408 OE2 GLU A 149 3.016 9.951 12.837 1.00 0.00 O ATOM 0 H GLU A 149 3.169 5.194 13.396 1.00 0.00 H new ATOM 0 HA GLU A 149 0.627 5.975 14.479 1.00 0.00 H new ATOM 0 HB2 GLU A 149 1.861 6.348 11.705 1.00 0.00 H new ATOM 0 HB3 GLU A 149 0.445 7.202 12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 149 1.829 8.070 14.236 1.00 0.00 H new ATOM 0 HG3 GLU A 149 3.239 7.303 13.534 1.00 0.00 H new ATOM 415 N GLU A 150 0.625 3.693 12.111 1.00 0.00 N ATOM 416 CA GLU A 150 -0.261 2.704 11.436 1.00 0.00 C ATOM 417 C GLU A 150 0.439 1.344 11.389 1.00 0.00 C ATOM 418 O GLU A 150 1.643 1.251 11.520 1.00 0.00 O ATOM 419 CB GLU A 150 -0.558 3.175 10.011 1.00 0.00 C ATOM 420 CG GLU A 150 -1.590 2.244 9.371 1.00 0.00 C ATOM 421 CD GLU A 150 -1.822 2.660 7.917 1.00 0.00 C ATOM 422 OE1 GLU A 150 -1.179 3.601 7.481 1.00 0.00 O ATOM 423 OE2 GLU A 150 -2.637 2.031 7.264 1.00 0.00 O ATOM 0 H GLU A 150 1.619 3.600 11.901 1.00 0.00 H new ATOM 0 HA GLU A 150 -1.195 2.614 11.990 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -0.935 4.198 10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 150 0.358 3.181 9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -1.240 1.212 9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -2.527 2.286 9.926 1.00 0.00 H new ATOM 430 N VAL A 151 -0.305 0.289 11.202 1.00 0.00 N ATOM 431 CA VAL A 151 0.321 -1.062 11.147 1.00 0.00 C ATOM 432 C VAL A 151 -0.198 -1.815 9.920 1.00 0.00 C ATOM 433 O VAL A 151 -1.317 -1.623 9.489 1.00 0.00 O ATOM 434 CB VAL A 151 -0.038 -1.841 12.414 1.00 0.00 C ATOM 435 CG1 VAL A 151 0.704 -3.180 12.418 1.00 0.00 C ATOM 436 CG2 VAL A 151 0.371 -1.029 13.645 1.00 0.00 C ATOM 0 H VAL A 151 -1.318 0.304 11.085 1.00 0.00 H new ATOM 0 HA VAL A 151 1.404 -0.959 11.078 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.113 -2.021 12.437 1.00 0.00 H new ATOM 0 HG11 VAL A 151 0.448 -3.735 13.321 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.414 -3.759 11.541 1.00 0.00 H new ATOM 0 HG13 VAL A 151 1.779 -3.000 12.395 1.00 0.00 H new ATOM 0 HG21 VAL A 151 0.115 -1.583 14.548 1.00 0.00 H new ATOM 0 HG22 VAL A 151 1.446 -0.849 13.622 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -0.157 -0.075 13.643 1.00 0.00 H new ATOM 446 N ASP A 152 0.607 -2.673 9.355 1.00 0.00 N ATOM 447 CA ASP A 152 0.158 -3.437 8.158 1.00 0.00 C ATOM 448 C ASP A 152 0.458 -4.924 8.359 1.00 0.00 C ATOM 449 O ASP A 152 1.545 -5.391 8.085 1.00 0.00 O ATOM 450 CB ASP A 152 0.903 -2.930 6.921 1.00 0.00 C ATOM 451 CG ASP A 152 0.473 -1.493 6.620 1.00 0.00 C ATOM 452 OD1 ASP A 152 -0.505 -1.054 7.204 1.00 0.00 O ATOM 453 OD2 ASP A 152 1.126 -0.857 5.810 1.00 0.00 O ATOM 0 H ASP A 152 1.555 -2.877 9.671 1.00 0.00 H new ATOM 0 HA ASP A 152 -0.914 -3.298 8.020 1.00 0.00 H new ATOM 0 HB2 ASP A 152 1.979 -2.971 7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 152 0.689 -3.572 6.066 1.00 0.00 H new ATOM 458 N TYR A 153 -0.500 -5.672 8.836 1.00 0.00 N ATOM 459 CA TYR A 153 -0.269 -7.128 9.053 1.00 0.00 C ATOM 460 C TYR A 153 -0.074 -7.820 7.704 1.00 0.00 C ATOM 461 O TYR A 153 0.668 -8.776 7.587 1.00 0.00 O ATOM 462 CB TYR A 153 -1.479 -7.735 9.768 1.00 0.00 C ATOM 463 CG TYR A 153 -1.648 -7.080 11.117 1.00 0.00 C ATOM 464 CD1 TYR A 153 -0.858 -7.488 12.198 1.00 0.00 C ATOM 465 CD2 TYR A 153 -2.596 -6.063 11.288 1.00 0.00 C ATOM 466 CE1 TYR A 153 -1.015 -6.881 13.450 1.00 0.00 C ATOM 467 CE2 TYR A 153 -2.753 -5.456 12.540 1.00 0.00 C ATOM 468 CZ TYR A 153 -1.962 -5.864 13.620 1.00 0.00 C ATOM 469 OH TYR A 153 -2.117 -5.267 14.854 1.00 0.00 O ATOM 0 H TYR A 153 -1.431 -5.338 9.084 1.00 0.00 H new ATOM 0 HA TYR A 153 0.622 -7.267 9.665 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -2.378 -7.593 9.168 1.00 0.00 H new ATOM 0 HB3 TYR A 153 -1.342 -8.810 9.888 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -0.127 -8.272 12.066 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -3.206 -5.747 10.454 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -0.406 -7.197 14.284 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -3.485 -4.673 12.672 1.00 0.00 H new ATOM 0 HH TYR A 153 -2.814 -4.581 14.800 1.00 0.00 H new ATOM 479 N GLU A 154 -0.732 -7.345 6.682 1.00 0.00 N ATOM 480 CA GLU A 154 -0.584 -7.976 5.340 1.00 0.00 C ATOM 481 C GLU A 154 0.872 -7.863 4.884 1.00 0.00 C ATOM 482 O GLU A 154 1.440 -8.798 4.355 1.00 0.00 O ATOM 483 CB GLU A 154 -1.489 -7.259 4.338 1.00 0.00 C ATOM 484 CG GLU A 154 -2.952 -7.463 4.736 1.00 0.00 C ATOM 485 CD GLU A 154 -3.860 -6.795 3.701 1.00 0.00 C ATOM 486 OE1 GLU A 154 -3.342 -6.071 2.866 1.00 0.00 O ATOM 487 OE2 GLU A 154 -5.058 -7.019 3.760 1.00 0.00 O ATOM 0 H GLU A 154 -1.366 -6.547 6.718 1.00 0.00 H new ATOM 0 HA GLU A 154 -0.867 -9.027 5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -1.252 -6.195 4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -1.317 -7.646 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -3.178 -8.527 4.800 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -3.134 -7.038 5.723 1.00 0.00 H new ATOM 494 N LYS A 155 1.481 -6.727 5.085 1.00 0.00 N ATOM 495 CA LYS A 155 2.900 -6.557 4.661 1.00 0.00 C ATOM 496 C LYS A 155 3.828 -6.964 5.809 1.00 0.00 C ATOM 497 O LYS A 155 5.032 -7.018 5.656 1.00 0.00 O ATOM 498 CB LYS A 155 3.151 -5.093 4.296 1.00 0.00 C ATOM 499 CG LYS A 155 2.289 -4.714 3.089 1.00 0.00 C ATOM 500 CD LYS A 155 2.627 -3.289 2.648 1.00 0.00 C ATOM 501 CE LYS A 155 1.703 -2.879 1.499 1.00 0.00 C ATOM 502 NZ LYS A 155 2.435 -3.000 0.207 1.00 0.00 N ATOM 0 H LYS A 155 1.058 -5.909 5.524 1.00 0.00 H new ATOM 0 HA LYS A 155 3.098 -7.187 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 155 2.913 -4.450 5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 155 4.205 -4.940 4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 155 2.465 -5.411 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 155 1.232 -4.785 3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 155 2.512 -2.601 3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 155 3.668 -3.232 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 155 0.816 -3.512 1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 155 1.361 -1.854 1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 1.808 -2.722 -0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 3.268 -2.378 0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 2.740 -3.985 0.072 1.00 0.00 H new ATOM 516 N SER A 156 3.278 -7.251 6.958 1.00 0.00 N ATOM 517 CA SER A 156 4.131 -7.655 8.111 1.00 0.00 C ATOM 518 C SER A 156 5.152 -6.553 8.401 1.00 0.00 C ATOM 519 O SER A 156 6.340 -6.797 8.475 1.00 0.00 O ATOM 520 CB SER A 156 4.865 -8.953 7.771 1.00 0.00 C ATOM 521 OG SER A 156 4.262 -9.555 6.636 1.00 0.00 O ATOM 0 H SER A 156 2.276 -7.223 7.147 1.00 0.00 H new ATOM 0 HA SER A 156 3.505 -7.810 8.990 1.00 0.00 H new ATOM 0 HB2 SER A 156 5.916 -8.747 7.571 1.00 0.00 H new ATOM 0 HB3 SER A 156 4.830 -9.636 8.620 1.00 0.00 H new ATOM 0 HG SER A 156 4.733 -10.386 6.417 1.00 0.00 H new ATOM 527 N ARG A 157 4.699 -5.341 8.567 1.00 0.00 N ATOM 528 CA ARG A 157 5.644 -4.225 8.854 1.00 0.00 C ATOM 529 C ARG A 157 4.964 -3.200 9.763 1.00 0.00 C ATOM 530 O ARG A 157 3.763 -3.217 9.944 1.00 0.00 O ATOM 531 CB ARG A 157 6.053 -3.555 7.541 1.00 0.00 C ATOM 532 CG ARG A 157 6.900 -4.528 6.717 1.00 0.00 C ATOM 533 CD ARG A 157 7.532 -3.784 5.539 1.00 0.00 C ATOM 534 NE ARG A 157 8.137 -4.770 4.599 1.00 0.00 N ATOM 535 CZ ARG A 157 8.205 -4.499 3.323 1.00 0.00 C ATOM 536 NH1 ARG A 157 8.910 -3.483 2.910 1.00 0.00 N ATOM 537 NH2 ARG A 157 7.568 -5.246 2.463 1.00 0.00 N ATOM 0 H ARG A 157 3.716 -5.075 8.516 1.00 0.00 H new ATOM 0 HA ARG A 157 6.530 -4.617 9.353 1.00 0.00 H new ATOM 0 HB2 ARG A 157 5.167 -3.260 6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 157 6.618 -2.646 7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 157 7.677 -4.969 7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.280 -5.348 6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 157 6.778 -3.189 5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 157 8.294 -3.092 5.898 1.00 0.00 H new ATOM 0 HE ARG A 157 8.498 -5.656 4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 157 9.408 -2.900 3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 157 8.964 -3.271 1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 157 7.017 -6.041 2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 157 7.621 -5.035 1.467 1.00 0.00 H new ATOM 551 N LEU A 158 5.723 -2.310 10.342 1.00 0.00 N ATOM 552 CA LEU A 158 5.118 -1.290 11.243 1.00 0.00 C ATOM 553 C LEU A 158 5.320 0.104 10.646 1.00 0.00 C ATOM 554 O LEU A 158 6.400 0.451 10.208 1.00 0.00 O ATOM 555 CB LEU A 158 5.790 -1.353 12.617 1.00 0.00 C ATOM 556 CG LEU A 158 5.634 -2.758 13.199 1.00 0.00 C ATOM 557 CD1 LEU A 158 6.529 -3.724 12.428 1.00 0.00 C ATOM 558 CD2 LEU A 158 6.045 -2.749 14.674 1.00 0.00 C ATOM 0 H LEU A 158 6.735 -2.246 10.230 1.00 0.00 H new ATOM 0 HA LEU A 158 4.052 -1.492 11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 158 6.847 -1.100 12.528 1.00 0.00 H new ATOM 0 HB3 LEU A 158 5.342 -0.619 13.287 1.00 0.00 H new ATOM 0 HG LEU A 158 4.595 -3.075 13.115 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.421 -4.727 12.840 1.00 0.00 H new ATOM 0 HD12 LEU A 158 6.238 -3.730 11.377 1.00 0.00 H new ATOM 0 HD13 LEU A 158 7.568 -3.406 12.515 1.00 0.00 H new ATOM 0 HD21 LEU A 158 5.934 -3.751 15.089 1.00 0.00 H new ATOM 0 HD22 LEU A 158 7.085 -2.434 14.760 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.409 -2.056 15.225 1.00 0.00 H new ATOM 570 N LYS A 159 4.293 0.910 10.629 1.00 0.00 N ATOM 571 CA LYS A 159 4.435 2.281 10.064 1.00 0.00 C ATOM 572 C LYS A 159 4.816 3.252 11.183 1.00 0.00 C ATOM 573 O LYS A 159 3.971 3.886 11.782 1.00 0.00 O ATOM 574 CB LYS A 159 3.108 2.719 9.439 1.00 0.00 C ATOM 575 CG LYS A 159 3.328 3.993 8.621 1.00 0.00 C ATOM 576 CD LYS A 159 1.984 4.508 8.104 1.00 0.00 C ATOM 577 CE LYS A 159 2.212 5.754 7.245 1.00 0.00 C ATOM 578 NZ LYS A 159 0.944 6.120 6.553 1.00 0.00 N ATOM 0 H LYS A 159 3.364 0.678 10.981 1.00 0.00 H new ATOM 0 HA LYS A 159 5.212 2.280 9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 159 2.715 1.927 8.801 1.00 0.00 H new ATOM 0 HB3 LYS A 159 2.367 2.897 10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 159 3.808 4.754 9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 159 3.997 3.790 7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 159 1.487 3.735 7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 159 1.327 4.745 8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 159 2.550 6.582 7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 159 2.997 5.565 6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 1.099 6.967 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 0.640 5.332 5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 0.207 6.317 7.260 1.00 0.00 H new ATOM 592 N VAL A 160 6.082 3.369 11.473 1.00 0.00 N ATOM 593 CA VAL A 160 6.517 4.296 12.556 1.00 0.00 C ATOM 594 C VAL A 160 7.260 5.487 11.945 1.00 0.00 C ATOM 595 O VAL A 160 7.976 5.352 10.973 1.00 0.00 O ATOM 596 CB VAL A 160 7.448 3.555 13.517 1.00 0.00 C ATOM 597 CG1 VAL A 160 7.864 4.494 14.651 1.00 0.00 C ATOM 598 CG2 VAL A 160 6.719 2.342 14.100 1.00 0.00 C ATOM 0 H VAL A 160 6.835 2.863 11.007 1.00 0.00 H new ATOM 0 HA VAL A 160 5.642 4.654 13.099 1.00 0.00 H new ATOM 0 HB VAL A 160 8.335 3.222 12.978 1.00 0.00 H new ATOM 0 HG11 VAL A 160 8.527 3.966 15.336 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.384 5.358 14.236 1.00 0.00 H new ATOM 0 HG13 VAL A 160 6.978 4.828 15.190 1.00 0.00 H new ATOM 0 HG21 VAL A 160 7.382 1.814 14.785 1.00 0.00 H new ATOM 0 HG22 VAL A 160 5.832 2.675 14.638 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.423 1.672 13.292 1.00 0.00 H new ATOM 608 N SER A 161 7.097 6.652 12.510 1.00 0.00 N ATOM 609 CA SER A 161 7.795 7.850 11.963 1.00 0.00 C ATOM 610 C SER A 161 8.923 8.258 12.914 1.00 0.00 C ATOM 611 O SER A 161 8.778 8.210 14.120 1.00 0.00 O ATOM 612 CB SER A 161 6.800 9.005 11.827 1.00 0.00 C ATOM 613 OG SER A 161 6.468 9.497 13.116 1.00 0.00 O ATOM 0 H SER A 161 6.511 6.826 13.326 1.00 0.00 H new ATOM 0 HA SER A 161 8.210 7.613 10.984 1.00 0.00 H new ATOM 0 HB2 SER A 161 7.232 9.802 11.222 1.00 0.00 H new ATOM 0 HB3 SER A 161 5.901 8.666 11.313 1.00 0.00 H new ATOM 0 HG SER A 161 5.832 10.238 13.030 1.00 0.00 H new ATOM 619 N VAL A 162 10.045 8.658 12.383 1.00 0.00 N ATOM 620 CA VAL A 162 11.179 9.066 13.259 1.00 0.00 C ATOM 621 C VAL A 162 11.391 10.577 13.153 1.00 0.00 C ATOM 622 O VAL A 162 11.443 11.132 12.072 1.00 0.00 O ATOM 623 CB VAL A 162 12.451 8.341 12.817 1.00 0.00 C ATOM 624 CG1 VAL A 162 13.523 8.486 13.900 1.00 0.00 C ATOM 625 CG2 VAL A 162 12.145 6.858 12.598 1.00 0.00 C ATOM 0 H VAL A 162 10.226 8.720 11.381 1.00 0.00 H new ATOM 0 HA VAL A 162 10.951 8.804 14.292 1.00 0.00 H new ATOM 0 HB VAL A 162 12.812 8.778 11.886 1.00 0.00 H new ATOM 0 HG11 VAL A 162 14.430 7.969 13.586 1.00 0.00 H new ATOM 0 HG12 VAL A 162 13.742 9.542 14.056 1.00 0.00 H new ATOM 0 HG13 VAL A 162 13.161 8.050 14.831 1.00 0.00 H new ATOM 0 HG21 VAL A 162 13.052 6.342 12.283 1.00 0.00 H new ATOM 0 HG22 VAL A 162 11.783 6.420 13.528 1.00 0.00 H new ATOM 0 HG23 VAL A 162 11.382 6.754 11.827 1.00 0.00 H new ATOM 635 N SER A 163 11.514 11.248 14.264 1.00 0.00 N ATOM 636 CA SER A 163 11.726 12.723 14.226 1.00 0.00 C ATOM 637 C SER A 163 13.190 13.018 13.896 1.00 0.00 C ATOM 638 O SER A 163 13.994 13.271 14.770 1.00 0.00 O ATOM 639 CB SER A 163 11.379 13.323 15.590 1.00 0.00 C ATOM 640 OG SER A 163 11.489 14.737 15.526 1.00 0.00 O ATOM 0 H SER A 163 11.477 10.839 15.198 1.00 0.00 H new ATOM 0 HA SER A 163 11.085 13.164 13.462 1.00 0.00 H new ATOM 0 HB2 SER A 163 10.367 13.039 15.878 1.00 0.00 H new ATOM 0 HB3 SER A 163 12.050 12.929 16.354 1.00 0.00 H new ATOM 0 HG SER A 163 11.265 15.122 16.399 1.00 0.00 H new ATOM 692 N ARG A 167 12.078 16.937 11.932 1.00 0.00 N ATOM 693 CA ARG A 167 10.774 16.701 11.252 1.00 0.00 C ATOM 694 C ARG A 167 10.413 15.216 11.345 1.00 0.00 C ATOM 695 O ARG A 167 11.270 14.368 11.488 1.00 0.00 O ATOM 696 CB ARG A 167 10.883 17.108 9.782 1.00 0.00 C ATOM 697 CG ARG A 167 11.887 16.196 9.074 1.00 0.00 C ATOM 698 CD ARG A 167 12.159 16.732 7.666 1.00 0.00 C ATOM 699 NE ARG A 167 12.977 15.743 6.908 1.00 0.00 N ATOM 700 CZ ARG A 167 13.395 16.027 5.705 1.00 0.00 C ATOM 701 NH1 ARG A 167 12.661 15.722 4.670 1.00 0.00 N ATOM 702 NH2 ARG A 167 14.547 16.616 5.538 1.00 0.00 N ATOM 0 HA ARG A 167 9.999 17.295 11.736 1.00 0.00 H new ATOM 0 HB2 ARG A 167 9.908 17.036 9.300 1.00 0.00 H new ATOM 0 HB3 ARG A 167 11.202 18.147 9.704 1.00 0.00 H new ATOM 0 HG2 ARG A 167 12.816 16.149 9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 167 11.496 15.180 9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 167 11.218 16.916 7.147 1.00 0.00 H new ATOM 0 HD3 ARG A 167 12.683 17.686 7.723 1.00 0.00 H new ATOM 0 HE ARG A 167 13.210 14.844 7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 167 11.760 15.262 4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 167 12.988 15.944 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 167 15.120 16.854 6.347 1.00 0.00 H new ATOM 0 HH22 ARG A 167 14.875 16.838 4.598 1.00 0.00 H new ATOM 716 N ALA A 168 9.150 14.896 11.264 1.00 0.00 N ATOM 717 CA ALA A 168 8.738 13.466 11.347 1.00 0.00 C ATOM 718 C ALA A 168 9.062 12.765 10.027 1.00 0.00 C ATOM 719 O ALA A 168 8.938 13.336 8.962 1.00 0.00 O ATOM 720 CB ALA A 168 7.233 13.385 11.613 1.00 0.00 C ATOM 0 H ALA A 168 8.387 15.562 11.144 1.00 0.00 H new ATOM 0 HA ALA A 168 9.277 12.978 12.159 1.00 0.00 H new ATOM 0 HB1 ALA A 168 6.930 12.340 11.674 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.002 13.885 12.554 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.693 13.872 10.801 1.00 0.00 H new ATOM 726 N THR A 169 9.476 11.528 10.088 1.00 0.00 N ATOM 727 CA THR A 169 9.807 10.791 8.837 1.00 0.00 C ATOM 728 C THR A 169 9.098 9.435 8.842 1.00 0.00 C ATOM 729 O THR A 169 9.719 8.401 8.978 1.00 0.00 O ATOM 730 CB THR A 169 11.320 10.575 8.758 1.00 0.00 C ATOM 731 OG1 THR A 169 11.984 11.817 8.942 1.00 0.00 O ATOM 732 CG2 THR A 169 11.684 9.996 7.389 1.00 0.00 C ATOM 0 H THR A 169 9.599 10.997 10.950 1.00 0.00 H new ATOM 0 HA THR A 169 9.477 11.371 7.975 1.00 0.00 H new ATOM 0 HB THR A 169 11.630 9.879 9.537 1.00 0.00 H new ATOM 0 HG1 THR A 169 12.953 11.680 8.893 1.00 0.00 H new ATOM 0 HG21 THR A 169 12.762 9.843 7.334 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.174 9.043 7.250 1.00 0.00 H new ATOM 0 HG23 THR A 169 11.376 10.690 6.607 1.00 0.00 H new ATOM 740 N PRO A 170 7.766 9.448 8.688 1.00 0.00 N ATOM 741 CA PRO A 170 6.959 8.221 8.672 1.00 0.00 C ATOM 742 C PRO A 170 7.568 7.150 7.763 1.00 0.00 C ATOM 743 O PRO A 170 7.543 7.261 6.554 1.00 0.00 O ATOM 744 CB PRO A 170 5.616 8.683 8.107 1.00 0.00 C ATOM 745 CG PRO A 170 5.942 9.893 7.300 1.00 0.00 C ATOM 746 CD PRO A 170 7.094 10.562 7.995 1.00 0.00 C ATOM 0 HA PRO A 170 6.888 7.766 9.660 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.157 7.909 7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 170 4.910 8.917 8.904 1.00 0.00 H new ATOM 0 HG2 PRO A 170 6.209 9.620 6.279 1.00 0.00 H new ATOM 0 HG3 PRO A 170 5.084 10.562 7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 170 7.760 11.055 7.286 1.00 0.00 H new ATOM 0 HD3 PRO A 170 6.753 11.324 8.696 1.00 0.00 H new ATOM 754 N VAL A 171 8.115 6.114 8.337 1.00 0.00 N ATOM 755 CA VAL A 171 8.725 5.037 7.506 1.00 0.00 C ATOM 756 C VAL A 171 8.256 3.674 8.016 1.00 0.00 C ATOM 757 O VAL A 171 7.908 3.518 9.169 1.00 0.00 O ATOM 758 CB VAL A 171 10.249 5.121 7.601 1.00 0.00 C ATOM 759 CG1 VAL A 171 10.712 6.513 7.167 1.00 0.00 C ATOM 760 CG2 VAL A 171 10.684 4.867 9.046 1.00 0.00 C ATOM 0 H VAL A 171 8.166 5.966 9.345 1.00 0.00 H new ATOM 0 HA VAL A 171 8.419 5.161 6.467 1.00 0.00 H new ATOM 0 HB VAL A 171 10.695 4.370 6.949 1.00 0.00 H new ATOM 0 HG11 VAL A 171 11.798 6.573 7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 171 10.402 6.695 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 171 10.266 7.264 7.819 1.00 0.00 H new ATOM 0 HG21 VAL A 171 11.770 4.927 9.115 1.00 0.00 H new ATOM 0 HG22 VAL A 171 10.237 5.618 9.698 1.00 0.00 H new ATOM 0 HG23 VAL A 171 10.355 3.875 9.356 1.00 0.00 H new ATOM 770 N GLU A 172 8.243 2.683 7.166 1.00 0.00 N ATOM 771 CA GLU A 172 7.796 1.331 7.604 1.00 0.00 C ATOM 772 C GLU A 172 9.020 0.454 7.880 1.00 0.00 C ATOM 773 O GLU A 172 9.971 0.444 7.125 1.00 0.00 O ATOM 774 CB GLU A 172 6.948 0.692 6.502 1.00 0.00 C ATOM 775 CG GLU A 172 5.704 1.548 6.256 1.00 0.00 C ATOM 776 CD GLU A 172 4.797 0.848 5.243 1.00 0.00 C ATOM 777 OE1 GLU A 172 5.225 -0.147 4.682 1.00 0.00 O ATOM 778 OE2 GLU A 172 3.689 1.320 5.044 1.00 0.00 O ATOM 0 H GLU A 172 8.523 2.752 6.188 1.00 0.00 H new ATOM 0 HA GLU A 172 7.201 1.421 8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 172 7.530 0.605 5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 172 6.657 -0.318 6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.168 1.707 7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 172 5.993 2.531 5.883 1.00 0.00 H new ATOM 785 N LEU A 173 9.002 -0.282 8.956 1.00 0.00 N ATOM 786 CA LEU A 173 10.163 -1.157 9.280 1.00 0.00 C ATOM 787 C LEU A 173 9.665 -2.565 9.611 1.00 0.00 C ATOM 788 O LEU A 173 8.554 -2.749 10.067 1.00 0.00 O ATOM 789 CB LEU A 173 10.913 -0.584 10.483 1.00 0.00 C ATOM 790 CG LEU A 173 11.262 0.882 10.214 1.00 0.00 C ATOM 791 CD1 LEU A 173 12.097 1.429 11.374 1.00 0.00 C ATOM 792 CD2 LEU A 173 12.063 0.985 8.915 1.00 0.00 C ATOM 0 H LEU A 173 8.233 -0.315 9.625 1.00 0.00 H new ATOM 0 HA LEU A 173 10.834 -1.203 8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 173 10.299 -0.664 11.380 1.00 0.00 H new ATOM 0 HB3 LEU A 173 11.821 -1.158 10.666 1.00 0.00 H new ATOM 0 HG LEU A 173 10.344 1.463 10.122 1.00 0.00 H new ATOM 0 HD11 LEU A 173 12.346 2.473 11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 173 11.526 1.356 12.300 1.00 0.00 H new ATOM 0 HD13 LEU A 173 13.015 0.849 11.467 1.00 0.00 H new ATOM 0 HD21 LEU A 173 12.312 2.029 8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 173 12.981 0.404 9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 173 11.468 0.596 8.089 1.00 0.00 H new ATOM 804 N ASP A 174 10.477 -3.561 9.384 1.00 0.00 N ATOM 805 CA ASP A 174 10.049 -4.956 9.685 1.00 0.00 C ATOM 806 C ASP A 174 9.951 -5.145 11.201 1.00 0.00 C ATOM 807 O ASP A 174 10.578 -4.439 11.966 1.00 0.00 O ATOM 808 CB ASP A 174 11.074 -5.938 9.113 1.00 0.00 C ATOM 809 CG ASP A 174 11.062 -5.853 7.586 1.00 0.00 C ATOM 810 OD1 ASP A 174 10.134 -5.270 7.051 1.00 0.00 O ATOM 811 OD2 ASP A 174 11.983 -6.373 6.977 1.00 0.00 O ATOM 0 H ASP A 174 11.419 -3.469 9.003 1.00 0.00 H new ATOM 0 HA ASP A 174 9.075 -5.143 9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 174 12.069 -5.705 9.493 1.00 0.00 H new ATOM 0 HB3 ASP A 174 10.840 -6.953 9.434 1.00 0.00 H new ATOM 816 N PHE A 175 9.169 -6.092 11.641 1.00 0.00 N ATOM 817 CA PHE A 175 9.031 -6.326 13.106 1.00 0.00 C ATOM 818 C PHE A 175 10.417 -6.502 13.729 1.00 0.00 C ATOM 819 O PHE A 175 10.715 -5.952 14.771 1.00 0.00 O ATOM 820 CB PHE A 175 8.200 -7.587 13.346 1.00 0.00 C ATOM 821 CG PHE A 175 6.804 -7.378 12.806 1.00 0.00 C ATOM 822 CD1 PHE A 175 6.008 -6.343 13.309 1.00 0.00 C ATOM 823 CD2 PHE A 175 6.307 -8.220 11.805 1.00 0.00 C ATOM 824 CE1 PHE A 175 4.716 -6.147 12.809 1.00 0.00 C ATOM 825 CE2 PHE A 175 5.015 -8.024 11.304 1.00 0.00 C ATOM 826 CZ PHE A 175 4.219 -6.987 11.806 1.00 0.00 C ATOM 0 H PHE A 175 8.619 -6.714 11.049 1.00 0.00 H new ATOM 0 HA PHE A 175 8.534 -5.471 13.564 1.00 0.00 H new ATOM 0 HB2 PHE A 175 8.667 -8.442 12.857 1.00 0.00 H new ATOM 0 HB3 PHE A 175 8.160 -7.812 14.412 1.00 0.00 H new ATOM 0 HD1 PHE A 175 6.391 -5.695 14.084 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.920 -9.021 11.419 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.102 -5.348 13.197 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.632 -8.673 10.530 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.222 -6.836 11.419 1.00 0.00 H new ATOM 836 N SER A 176 11.269 -7.267 13.101 1.00 0.00 N ATOM 837 CA SER A 176 12.633 -7.478 13.659 1.00 0.00 C ATOM 838 C SER A 176 13.485 -6.229 13.418 1.00 0.00 C ATOM 839 O SER A 176 14.483 -6.013 14.074 1.00 0.00 O ATOM 840 CB SER A 176 13.285 -8.680 12.972 1.00 0.00 C ATOM 841 OG SER A 176 13.576 -8.352 11.621 1.00 0.00 O ATOM 0 H SER A 176 11.078 -7.754 12.226 1.00 0.00 H new ATOM 0 HA SER A 176 12.561 -7.666 14.730 1.00 0.00 H new ATOM 0 HB2 SER A 176 14.200 -8.959 13.495 1.00 0.00 H new ATOM 0 HB3 SER A 176 12.619 -9.542 13.013 1.00 0.00 H new ATOM 0 HG SER A 176 13.995 -9.121 11.181 1.00 0.00 H new ATOM 847 N GLN A 177 13.098 -5.406 12.482 1.00 0.00 N ATOM 848 CA GLN A 177 13.887 -4.173 12.203 1.00 0.00 C ATOM 849 C GLN A 177 13.693 -3.173 13.345 1.00 0.00 C ATOM 850 O GLN A 177 14.525 -2.321 13.584 1.00 0.00 O ATOM 851 CB GLN A 177 13.410 -3.547 10.890 1.00 0.00 C ATOM 852 CG GLN A 177 14.415 -2.485 10.438 1.00 0.00 C ATOM 853 CD GLN A 177 13.878 -1.772 9.195 1.00 0.00 C ATOM 854 OE1 GLN A 177 12.916 -2.210 8.596 1.00 0.00 O ATOM 855 NE2 GLN A 177 14.462 -0.681 8.781 1.00 0.00 N ATOM 0 H GLN A 177 12.271 -5.534 11.899 1.00 0.00 H new ATOM 0 HA GLN A 177 14.943 -4.429 12.120 1.00 0.00 H new ATOM 0 HB2 GLN A 177 13.307 -4.316 10.124 1.00 0.00 H new ATOM 0 HB3 GLN A 177 12.426 -3.098 11.025 1.00 0.00 H new ATOM 0 HG2 GLN A 177 14.585 -1.765 11.239 1.00 0.00 H new ATOM 0 HG3 GLN A 177 15.376 -2.949 10.218 1.00 0.00 H new ATOM 0 HE21 GLN A 177 15.270 -0.313 9.283 1.00 0.00 H new ATOM 0 HE22 GLN A 177 14.111 -0.196 7.955 1.00 0.00 H new ATOM 864 N VAL A 178 12.601 -3.270 14.052 1.00 0.00 N ATOM 865 CA VAL A 178 12.357 -2.325 15.177 1.00 0.00 C ATOM 866 C VAL A 178 12.042 -3.115 16.449 1.00 0.00 C ATOM 867 O VAL A 178 11.727 -4.288 16.400 1.00 0.00 O ATOM 868 CB VAL A 178 11.171 -1.419 14.834 1.00 0.00 C ATOM 869 CG1 VAL A 178 11.437 -0.718 13.500 1.00 0.00 C ATOM 870 CG2 VAL A 178 9.900 -2.263 14.723 1.00 0.00 C ATOM 0 H VAL A 178 11.868 -3.962 13.899 1.00 0.00 H new ATOM 0 HA VAL A 178 13.246 -1.716 15.338 1.00 0.00 H new ATOM 0 HB VAL A 178 11.043 -0.673 15.618 1.00 0.00 H new ATOM 0 HG11 VAL A 178 10.594 -0.072 13.254 1.00 0.00 H new ATOM 0 HG12 VAL A 178 12.343 -0.117 13.579 1.00 0.00 H new ATOM 0 HG13 VAL A 178 11.564 -1.464 12.716 1.00 0.00 H new ATOM 0 HG21 VAL A 178 9.055 -1.619 14.479 1.00 0.00 H new ATOM 0 HG22 VAL A 178 10.026 -3.009 13.938 1.00 0.00 H new ATOM 0 HG23 VAL A 178 9.712 -2.764 15.673 1.00 0.00 H new ATOM 880 N GLU A 179 12.125 -2.483 17.587 1.00 0.00 N ATOM 881 CA GLU A 179 11.831 -3.200 18.860 1.00 0.00 C ATOM 882 C GLU A 179 10.583 -2.597 19.509 1.00 0.00 C ATOM 883 O GLU A 179 10.285 -1.431 19.340 1.00 0.00 O ATOM 884 CB GLU A 179 13.020 -3.059 19.811 1.00 0.00 C ATOM 885 CG GLU A 179 14.299 -3.501 19.098 1.00 0.00 C ATOM 886 CD GLU A 179 14.168 -4.967 18.677 1.00 0.00 C ATOM 887 OE1 GLU A 179 13.276 -5.630 19.183 1.00 0.00 O ATOM 888 OE2 GLU A 179 14.960 -5.401 17.858 1.00 0.00 O ATOM 0 H GLU A 179 12.383 -1.502 17.691 1.00 0.00 H new ATOM 0 HA GLU A 179 11.657 -4.255 18.651 1.00 0.00 H new ATOM 0 HB2 GLU A 179 13.114 -2.025 20.142 1.00 0.00 H new ATOM 0 HB3 GLU A 179 12.860 -3.665 20.703 1.00 0.00 H new ATOM 0 HG2 GLU A 179 14.476 -2.875 18.223 1.00 0.00 H new ATOM 0 HG3 GLU A 179 15.158 -3.376 19.758 1.00 0.00 H new ATOM 895 N LYS A 180 9.851 -3.382 20.250 1.00 0.00 N ATOM 896 CA LYS A 180 8.623 -2.855 20.909 1.00 0.00 C ATOM 897 C LYS A 180 9.009 -2.113 22.190 1.00 0.00 C ATOM 898 O LYS A 180 9.766 -2.607 23.002 1.00 0.00 O ATOM 899 CB LYS A 180 7.692 -4.020 21.255 1.00 0.00 C ATOM 900 CG LYS A 180 6.321 -3.475 21.660 1.00 0.00 C ATOM 901 CD LYS A 180 5.392 -4.641 22.005 1.00 0.00 C ATOM 902 CE LYS A 180 3.973 -4.116 22.224 1.00 0.00 C ATOM 903 NZ LYS A 180 3.392 -4.745 23.444 1.00 0.00 N ATOM 0 H LYS A 180 10.050 -4.366 20.428 1.00 0.00 H new ATOM 0 HA LYS A 180 8.113 -2.169 20.233 1.00 0.00 H new ATOM 0 HB2 LYS A 180 7.592 -4.686 20.398 1.00 0.00 H new ATOM 0 HB3 LYS A 180 8.116 -4.609 22.068 1.00 0.00 H new ATOM 0 HG2 LYS A 180 6.421 -2.809 22.517 1.00 0.00 H new ATOM 0 HG3 LYS A 180 5.897 -2.886 20.847 1.00 0.00 H new ATOM 0 HD2 LYS A 180 5.399 -5.376 21.200 1.00 0.00 H new ATOM 0 HD3 LYS A 180 5.746 -5.148 22.902 1.00 0.00 H new ATOM 0 HE2 LYS A 180 3.988 -3.032 22.333 1.00 0.00 H new ATOM 0 HE3 LYS A 180 3.353 -4.340 21.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 2.427 -4.388 23.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 3.364 -5.778 23.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 3.979 -4.509 24.269 1.00 0.00 H new ATOM 917 N ALA A 181 8.494 -0.928 22.379 1.00 0.00 N ATOM 918 CA ALA A 181 8.832 -0.155 23.607 1.00 0.00 C ATOM 919 C ALA A 181 7.925 -0.602 24.755 1.00 0.00 C ATOM 920 O ALA A 181 7.086 -1.466 24.596 1.00 0.00 O ATOM 921 CB ALA A 181 8.624 1.338 23.344 1.00 0.00 C ATOM 0 H ALA A 181 7.854 -0.462 21.736 1.00 0.00 H new ATOM 0 HA ALA A 181 9.873 -0.334 23.875 1.00 0.00 H new ATOM 0 HB1 ALA A 181 8.871 1.904 24.242 1.00 0.00 H new ATOM 0 HB2 ALA A 181 9.269 1.657 22.525 1.00 0.00 H new ATOM 0 HB3 ALA A 181 7.583 1.519 23.077 1.00 0.00 H new