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 -155:sc= -0.642 (180deg=-2.71!) USER MOD Single : A 137 ASN : amide:sc= -1.59! C(o=-1.6!,f=-7!) USER MOD Single : A 145 ASN : amide:sc= -2.04! C(o=-2!,f=-7.2!) USER MOD Single : A 153 TYR OH : rot 54:sc= 1.23 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 SER OG : rot -82:sc= -0.276 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= 0.651 K(o=0.65,f=-6.8!) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PHE A 128 1.400 -4.420 17.999 1.00 0.00 N ATOM 95 CA PHE A 128 1.688 -3.037 17.523 1.00 0.00 C ATOM 96 C PHE A 128 0.379 -2.359 17.113 1.00 0.00 C ATOM 97 O PHE A 128 -0.330 -2.828 16.244 1.00 0.00 O ATOM 98 CB PHE A 128 2.634 -3.095 16.322 1.00 0.00 C ATOM 99 CG PHE A 128 3.983 -3.605 16.769 1.00 0.00 C ATOM 100 CD1 PHE A 128 4.890 -2.735 17.387 1.00 0.00 C ATOM 101 CD2 PHE A 128 4.326 -4.947 16.569 1.00 0.00 C ATOM 102 CE1 PHE A 128 6.140 -3.208 17.803 1.00 0.00 C ATOM 103 CE2 PHE A 128 5.577 -5.420 16.984 1.00 0.00 C ATOM 104 CZ PHE A 128 6.484 -4.550 17.602 1.00 0.00 C ATOM 0 HA PHE A 128 2.158 -2.466 18.324 1.00 0.00 H new ATOM 0 HB2 PHE A 128 2.223 -3.749 15.553 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.736 -2.105 15.878 1.00 0.00 H new ATOM 0 HD1 PHE A 128 4.625 -1.700 17.543 1.00 0.00 H new ATOM 0 HD2 PHE A 128 3.626 -5.618 16.094 1.00 0.00 H new ATOM 0 HE1 PHE A 128 6.840 -2.537 18.279 1.00 0.00 H new ATOM 0 HE2 PHE A 128 5.842 -6.455 16.828 1.00 0.00 H new ATOM 0 HZ PHE A 128 7.449 -4.914 17.923 1.00 0.00 H new ATOM 114 N GLU A 129 0.052 -1.258 17.732 1.00 0.00 N ATOM 115 CA GLU A 129 -1.212 -0.552 17.381 1.00 0.00 C ATOM 116 C GLU A 129 -0.977 0.961 17.429 1.00 0.00 C ATOM 117 O GLU A 129 -0.316 1.465 18.314 1.00 0.00 O ATOM 118 CB GLU A 129 -2.303 -0.939 18.383 1.00 0.00 C ATOM 119 CG GLU A 129 -2.045 -0.241 19.721 1.00 0.00 C ATOM 120 CD GLU A 129 -3.199 -0.535 20.681 1.00 0.00 C ATOM 121 OE1 GLU A 129 -4.023 -1.370 20.347 1.00 0.00 O ATOM 122 OE2 GLU A 129 -3.239 0.079 21.735 1.00 0.00 O ATOM 0 H GLU A 129 0.606 -0.817 18.466 1.00 0.00 H new ATOM 0 HA GLU A 129 -1.527 -0.836 16.377 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -3.282 -0.656 17.997 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -2.316 -2.020 18.522 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -1.105 -0.588 20.149 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -1.949 0.834 19.570 1.00 0.00 H new ATOM 129 N PRO A 130 -1.533 1.697 16.453 1.00 0.00 N ATOM 130 CA PRO A 130 -1.378 3.157 16.391 1.00 0.00 C ATOM 131 C PRO A 130 -1.360 3.785 17.788 1.00 0.00 C ATOM 132 O PRO A 130 -2.271 3.604 18.572 1.00 0.00 O ATOM 133 CB PRO A 130 -2.620 3.618 15.626 1.00 0.00 C ATOM 134 CG PRO A 130 -3.623 2.542 15.860 1.00 0.00 C ATOM 135 CD PRO A 130 -2.842 1.260 15.933 1.00 0.00 C ATOM 0 HA PRO A 130 -0.439 3.449 15.920 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -2.977 4.580 15.993 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.409 3.740 14.564 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -4.175 2.716 16.784 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -4.355 2.508 15.053 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -3.317 0.535 16.594 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.750 0.787 14.955 1.00 0.00 H new ATOM 143 N GLY A 131 -0.329 4.520 18.103 1.00 0.00 N ATOM 144 CA GLY A 131 -0.252 5.157 19.448 1.00 0.00 C ATOM 145 C GLY A 131 0.779 4.418 20.306 1.00 0.00 C ATOM 146 O GLY A 131 1.017 4.769 21.444 1.00 0.00 O ATOM 0 H GLY A 131 0.463 4.707 17.488 1.00 0.00 H new ATOM 0 HA2 GLY A 131 0.026 6.206 19.350 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -1.229 5.130 19.931 1.00 0.00 H new ATOM 150 N GLU A 132 1.392 3.398 19.770 1.00 0.00 N ATOM 151 CA GLU A 132 2.405 2.640 20.558 1.00 0.00 C ATOM 152 C GLU A 132 3.809 3.122 20.188 1.00 0.00 C ATOM 153 O GLU A 132 4.048 3.582 19.089 1.00 0.00 O ATOM 154 CB GLU A 132 2.282 1.147 20.244 1.00 0.00 C ATOM 155 CG GLU A 132 1.004 0.593 20.878 1.00 0.00 C ATOM 156 CD GLU A 132 1.068 -0.936 20.902 1.00 0.00 C ATOM 157 OE1 GLU A 132 1.953 -1.482 20.264 1.00 0.00 O ATOM 158 OE2 GLU A 132 0.231 -1.534 21.556 1.00 0.00 O ATOM 0 H GLU A 132 1.235 3.057 18.822 1.00 0.00 H new ATOM 0 HA GLU A 132 2.233 2.805 21.622 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.261 0.992 19.165 1.00 0.00 H new ATOM 0 HB3 GLU A 132 3.151 0.612 20.626 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.891 0.979 21.891 1.00 0.00 H new ATOM 0 HG3 GLU A 132 0.132 0.922 20.312 1.00 0.00 H new ATOM 165 N MET A 133 4.742 3.020 21.096 1.00 0.00 N ATOM 166 CA MET A 133 6.129 3.469 20.793 1.00 0.00 C ATOM 167 C MET A 133 6.939 2.286 20.260 1.00 0.00 C ATOM 168 O MET A 133 6.710 1.150 20.626 1.00 0.00 O ATOM 169 CB MET A 133 6.785 4.003 22.069 1.00 0.00 C ATOM 170 CG MET A 133 5.919 5.114 22.664 1.00 0.00 C ATOM 171 SD MET A 133 5.944 6.554 21.567 1.00 0.00 S ATOM 172 CE MET A 133 7.742 6.716 21.448 1.00 0.00 C ATOM 0 H MET A 133 4.602 2.645 22.034 1.00 0.00 H new ATOM 0 HA MET A 133 6.100 4.260 20.043 1.00 0.00 H new ATOM 0 HB2 MET A 133 6.907 3.197 22.792 1.00 0.00 H new ATOM 0 HB3 MET A 133 7.781 4.385 21.846 1.00 0.00 H new ATOM 0 HG2 MET A 133 4.896 4.761 22.795 1.00 0.00 H new ATOM 0 HG3 MET A 133 6.290 5.389 23.651 1.00 0.00 H new ATOM 0 HE1 MET A 133 7.999 7.748 21.209 1.00 0.00 H new ATOM 0 HE2 MET A 133 8.196 6.440 22.400 1.00 0.00 H new ATOM 0 HE3 MET A 133 8.116 6.058 20.664 1.00 0.00 H new ATOM 182 N VAL A 134 7.885 2.540 19.397 1.00 0.00 N ATOM 183 CA VAL A 134 8.704 1.426 18.842 1.00 0.00 C ATOM 184 C VAL A 134 10.178 1.836 18.835 1.00 0.00 C ATOM 185 O VAL A 134 10.530 2.932 19.222 1.00 0.00 O ATOM 186 CB VAL A 134 8.251 1.126 17.412 1.00 0.00 C ATOM 187 CG1 VAL A 134 8.693 -0.285 17.019 1.00 0.00 C ATOM 188 CG2 VAL A 134 6.727 1.227 17.328 1.00 0.00 C ATOM 0 H VAL A 134 8.126 3.470 19.053 1.00 0.00 H new ATOM 0 HA VAL A 134 8.576 0.536 19.458 1.00 0.00 H new ATOM 0 HB VAL A 134 8.701 1.848 16.731 1.00 0.00 H new ATOM 0 HG11 VAL A 134 8.369 -0.497 16.000 1.00 0.00 H new ATOM 0 HG12 VAL A 134 9.779 -0.355 17.077 1.00 0.00 H new ATOM 0 HG13 VAL A 134 8.246 -1.009 17.700 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.404 1.013 16.309 1.00 0.00 H new ATOM 0 HG22 VAL A 134 6.276 0.506 18.010 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.413 2.234 17.605 1.00 0.00 H new ATOM 198 N ARG A 135 11.045 0.963 18.397 1.00 0.00 N ATOM 199 CA ARG A 135 12.495 1.303 18.363 1.00 0.00 C ATOM 200 C ARG A 135 13.083 0.881 17.015 1.00 0.00 C ATOM 201 O ARG A 135 12.705 -0.127 16.451 1.00 0.00 O ATOM 202 CB ARG A 135 13.221 0.564 19.489 1.00 0.00 C ATOM 203 CG ARG A 135 12.713 1.069 20.842 1.00 0.00 C ATOM 204 CD ARG A 135 13.394 0.286 21.967 1.00 0.00 C ATOM 205 NE ARG A 135 14.833 0.670 22.040 1.00 0.00 N ATOM 206 CZ ARG A 135 15.186 1.772 22.642 1.00 0.00 C ATOM 207 NH1 ARG A 135 15.427 1.769 23.924 1.00 0.00 N ATOM 208 NH2 ARG A 135 15.298 2.880 21.961 1.00 0.00 N ATOM 0 H ARG A 135 10.811 0.029 18.061 1.00 0.00 H new ATOM 0 HA ARG A 135 12.620 2.378 18.496 1.00 0.00 H new ATOM 0 HB2 ARG A 135 13.051 -0.509 19.402 1.00 0.00 H new ATOM 0 HB3 ARG A 135 14.296 0.724 19.409 1.00 0.00 H new ATOM 0 HG2 ARG A 135 12.922 2.134 20.947 1.00 0.00 H new ATOM 0 HG3 ARG A 135 11.631 0.949 20.904 1.00 0.00 H new ATOM 0 HD2 ARG A 135 12.903 0.493 22.918 1.00 0.00 H new ATOM 0 HD3 ARG A 135 13.301 -0.785 21.787 1.00 0.00 H new ATOM 0 HE ARG A 135 15.542 0.070 21.619 1.00 0.00 H new ATOM 0 HH11 ARG A 135 15.340 0.904 24.457 1.00 0.00 H new ATOM 0 HH12 ARG A 135 15.703 2.632 24.393 1.00 0.00 H new ATOM 0 HH21 ARG A 135 15.109 2.884 20.959 1.00 0.00 H new ATOM 0 HH22 ARG A 135 15.574 3.742 22.431 1.00 0.00 H new ATOM 222 N VAL A 136 14.005 1.644 16.492 1.00 0.00 N ATOM 223 CA VAL A 136 14.613 1.284 15.181 1.00 0.00 C ATOM 224 C VAL A 136 16.100 0.976 15.376 1.00 0.00 C ATOM 225 O VAL A 136 16.827 1.737 15.982 1.00 0.00 O ATOM 226 CB VAL A 136 14.457 2.454 14.207 1.00 0.00 C ATOM 227 CG1 VAL A 136 15.074 2.081 12.858 1.00 0.00 C ATOM 228 CG2 VAL A 136 12.972 2.766 14.019 1.00 0.00 C ATOM 0 H VAL A 136 14.362 2.500 16.916 1.00 0.00 H new ATOM 0 HA VAL A 136 14.110 0.406 14.776 1.00 0.00 H new ATOM 0 HB VAL A 136 14.965 3.331 14.609 1.00 0.00 H new ATOM 0 HG11 VAL A 136 14.963 2.914 12.164 1.00 0.00 H new ATOM 0 HG12 VAL A 136 16.133 1.858 12.991 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.567 1.204 12.456 1.00 0.00 H new ATOM 0 HG21 VAL A 136 12.860 3.599 13.325 1.00 0.00 H new ATOM 0 HG22 VAL A 136 12.464 1.889 13.618 1.00 0.00 H new ATOM 0 HG23 VAL A 136 12.532 3.032 14.980 1.00 0.00 H new ATOM 238 N ASN A 137 16.556 -0.134 14.865 1.00 0.00 N ATOM 239 CA ASN A 137 17.995 -0.490 15.022 1.00 0.00 C ATOM 240 C ASN A 137 18.593 -0.815 13.651 1.00 0.00 C ATOM 241 O ASN A 137 19.662 -1.383 13.549 1.00 0.00 O ATOM 242 CB ASN A 137 18.122 -1.712 15.935 1.00 0.00 C ATOM 243 CG ASN A 137 17.331 -2.877 15.339 1.00 0.00 C ATOM 244 OD1 ASN A 137 17.288 -3.046 14.136 1.00 0.00 O ATOM 245 ND2 ASN A 137 16.697 -3.696 16.135 1.00 0.00 N ATOM 0 H ASN A 137 15.995 -0.810 14.346 1.00 0.00 H new ATOM 0 HA ASN A 137 18.531 0.351 15.463 1.00 0.00 H new ATOM 0 HB2 ASN A 137 19.170 -1.989 16.046 1.00 0.00 H new ATOM 0 HB3 ASN A 137 17.748 -1.476 16.931 1.00 0.00 H new ATOM 0 HD21 ASN A 137 16.167 -4.476 15.747 1.00 0.00 H new ATOM 0 HD22 ASN A 137 16.732 -3.555 17.145 1.00 0.00 H new ATOM 252 N ASP A 138 17.911 -0.460 12.597 1.00 0.00 N ATOM 253 CA ASP A 138 18.442 -0.751 11.235 1.00 0.00 C ATOM 254 C ASP A 138 18.259 0.478 10.343 1.00 0.00 C ATOM 255 O ASP A 138 17.314 1.227 10.488 1.00 0.00 O ATOM 256 CB ASP A 138 17.683 -1.936 10.634 1.00 0.00 C ATOM 257 CG ASP A 138 18.333 -2.336 9.309 1.00 0.00 C ATOM 258 OD1 ASP A 138 19.372 -1.781 8.988 1.00 0.00 O ATOM 259 OD2 ASP A 138 17.781 -3.191 8.634 1.00 0.00 O ATOM 0 H ASP A 138 17.010 0.018 12.620 1.00 0.00 H new ATOM 0 HA ASP A 138 19.502 -0.996 11.303 1.00 0.00 H new ATOM 0 HB2 ASP A 138 17.694 -2.778 11.326 1.00 0.00 H new ATOM 0 HB3 ASP A 138 16.638 -1.669 10.473 1.00 0.00 H new ATOM 264 N GLY A 139 19.156 0.690 9.419 1.00 0.00 N ATOM 265 CA GLY A 139 19.033 1.870 8.518 1.00 0.00 C ATOM 266 C GLY A 139 19.393 3.142 9.288 1.00 0.00 C ATOM 267 O GLY A 139 19.581 3.118 10.489 1.00 0.00 O ATOM 0 H GLY A 139 19.968 0.097 9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 139 19.693 1.754 7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 139 18.016 1.942 8.132 1.00 0.00 H new ATOM 271 N PRO A 140 19.489 4.274 8.577 1.00 0.00 N ATOM 272 CA PRO A 140 19.828 5.566 9.188 1.00 0.00 C ATOM 273 C PRO A 140 18.934 5.874 10.395 1.00 0.00 C ATOM 274 O PRO A 140 19.285 6.657 11.254 1.00 0.00 O ATOM 275 CB PRO A 140 19.561 6.573 8.070 1.00 0.00 C ATOM 276 CG PRO A 140 18.553 5.906 7.197 1.00 0.00 C ATOM 277 CD PRO A 140 18.852 4.435 7.258 1.00 0.00 C ATOM 0 HA PRO A 140 20.852 5.586 9.561 1.00 0.00 H new ATOM 0 HB2 PRO A 140 19.181 7.514 8.467 1.00 0.00 H new ATOM 0 HB3 PRO A 140 20.472 6.804 7.518 1.00 0.00 H new ATOM 0 HG2 PRO A 140 17.541 6.112 7.544 1.00 0.00 H new ATOM 0 HG3 PRO A 140 18.620 6.275 6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 140 17.945 3.836 7.173 1.00 0.00 H new ATOM 0 HD3 PRO A 140 19.515 4.125 6.450 1.00 0.00 H new ATOM 285 N PHE A 141 17.784 5.263 10.465 1.00 0.00 N ATOM 286 CA PHE A 141 16.873 5.520 11.616 1.00 0.00 C ATOM 287 C PHE A 141 17.251 4.599 12.778 1.00 0.00 C ATOM 288 O PHE A 141 16.550 4.511 13.766 1.00 0.00 O ATOM 289 CB PHE A 141 15.428 5.240 11.197 1.00 0.00 C ATOM 290 CG PHE A 141 15.033 6.179 10.083 1.00 0.00 C ATOM 291 CD1 PHE A 141 14.537 7.454 10.382 1.00 0.00 C ATOM 292 CD2 PHE A 141 15.158 5.773 8.748 1.00 0.00 C ATOM 293 CE1 PHE A 141 14.169 8.323 9.348 1.00 0.00 C ATOM 294 CE2 PHE A 141 14.789 6.642 7.714 1.00 0.00 C ATOM 295 CZ PHE A 141 14.295 7.917 8.013 1.00 0.00 C ATOM 0 H PHE A 141 17.436 4.597 9.775 1.00 0.00 H new ATOM 0 HA PHE A 141 16.966 6.560 11.928 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.328 4.206 10.867 1.00 0.00 H new ATOM 0 HB3 PHE A 141 14.760 5.369 12.049 1.00 0.00 H new ATOM 0 HD1 PHE A 141 14.438 7.767 11.411 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.539 4.789 8.516 1.00 0.00 H new ATOM 0 HE1 PHE A 141 13.788 9.307 9.579 1.00 0.00 H new ATOM 0 HE2 PHE A 141 14.886 6.328 6.685 1.00 0.00 H new ATOM 0 HZ PHE A 141 14.011 8.587 7.215 1.00 0.00 H new ATOM 305 N ALA A 142 18.354 3.910 12.667 1.00 0.00 N ATOM 306 CA ALA A 142 18.774 2.994 13.766 1.00 0.00 C ATOM 307 C ALA A 142 19.065 3.808 15.028 1.00 0.00 C ATOM 308 O ALA A 142 19.554 4.917 14.964 1.00 0.00 O ATOM 309 CB ALA A 142 20.037 2.240 13.345 1.00 0.00 C ATOM 0 H ALA A 142 18.982 3.942 11.864 1.00 0.00 H new ATOM 0 HA ALA A 142 17.974 2.282 13.970 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.345 1.570 14.148 1.00 0.00 H new ATOM 0 HB2 ALA A 142 19.831 1.659 12.446 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.836 2.953 13.141 1.00 0.00 H new ATOM 315 N ASP A 143 18.770 3.263 16.177 1.00 0.00 N ATOM 316 CA ASP A 143 19.032 4.002 17.444 1.00 0.00 C ATOM 317 C ASP A 143 18.149 5.250 17.502 1.00 0.00 C ATOM 318 O ASP A 143 18.608 6.331 17.814 1.00 0.00 O ATOM 319 CB ASP A 143 20.503 4.417 17.497 1.00 0.00 C ATOM 320 CG ASP A 143 21.389 3.184 17.299 1.00 0.00 C ATOM 321 OD1 ASP A 143 20.887 2.085 17.467 1.00 0.00 O ATOM 322 OD2 ASP A 143 22.554 3.362 16.982 1.00 0.00 O ATOM 0 H ASP A 143 18.358 2.337 16.293 1.00 0.00 H new ATOM 0 HA ASP A 143 18.804 3.357 18.293 1.00 0.00 H new ATOM 0 HB2 ASP A 143 20.712 5.156 16.723 1.00 0.00 H new ATOM 0 HB3 ASP A 143 20.725 4.887 18.455 1.00 0.00 H new ATOM 327 N PHE A 144 16.886 5.111 17.206 1.00 0.00 N ATOM 328 CA PHE A 144 15.979 6.293 17.246 1.00 0.00 C ATOM 329 C PHE A 144 14.589 5.856 17.716 1.00 0.00 C ATOM 330 O PHE A 144 13.993 4.951 17.167 1.00 0.00 O ATOM 331 CB PHE A 144 15.874 6.903 15.847 1.00 0.00 C ATOM 332 CG PHE A 144 17.107 7.730 15.566 1.00 0.00 C ATOM 333 CD1 PHE A 144 17.232 9.010 16.119 1.00 0.00 C ATOM 334 CD2 PHE A 144 18.123 7.217 14.752 1.00 0.00 C ATOM 335 CE1 PHE A 144 18.374 9.777 15.857 1.00 0.00 C ATOM 336 CE2 PHE A 144 19.265 7.983 14.491 1.00 0.00 C ATOM 337 CZ PHE A 144 19.391 9.263 15.044 1.00 0.00 C ATOM 0 H PHE A 144 16.443 4.232 16.939 1.00 0.00 H new ATOM 0 HA PHE A 144 16.380 7.034 17.937 1.00 0.00 H new ATOM 0 HB2 PHE A 144 15.774 6.115 15.101 1.00 0.00 H new ATOM 0 HB3 PHE A 144 14.982 7.525 15.775 1.00 0.00 H new ATOM 0 HD1 PHE A 144 16.448 9.406 16.747 1.00 0.00 H new ATOM 0 HD2 PHE A 144 18.026 6.230 14.325 1.00 0.00 H new ATOM 0 HE1 PHE A 144 18.470 10.765 16.282 1.00 0.00 H new ATOM 0 HE2 PHE A 144 20.049 7.587 13.863 1.00 0.00 H new ATOM 0 HZ PHE A 144 20.273 9.854 14.843 1.00 0.00 H new ATOM 347 N ASN A 145 14.067 6.494 18.729 1.00 0.00 N ATOM 348 CA ASN A 145 12.716 6.114 19.230 1.00 0.00 C ATOM 349 C ASN A 145 11.646 6.726 18.324 1.00 0.00 C ATOM 350 O ASN A 145 11.741 7.867 17.918 1.00 0.00 O ATOM 351 CB ASN A 145 12.536 6.635 20.657 1.00 0.00 C ATOM 352 CG ASN A 145 13.685 6.132 21.533 1.00 0.00 C ATOM 353 OD1 ASN A 145 14.058 4.978 21.462 1.00 0.00 O ATOM 354 ND2 ASN A 145 14.266 6.955 22.363 1.00 0.00 N ATOM 0 H ASN A 145 14.517 7.260 19.230 1.00 0.00 H new ATOM 0 HA ASN A 145 12.618 5.028 19.225 1.00 0.00 H new ATOM 0 HB2 ASN A 145 12.514 7.725 20.658 1.00 0.00 H new ATOM 0 HB3 ASN A 145 11.582 6.297 21.061 1.00 0.00 H new ATOM 0 HD21 ASN A 145 15.033 6.629 22.951 1.00 0.00 H new ATOM 0 HD22 ASN A 145 13.953 7.924 22.423 1.00 0.00 H new ATOM 361 N GLY A 146 10.627 5.976 18.001 1.00 0.00 N ATOM 362 CA GLY A 146 9.554 6.516 17.121 1.00 0.00 C ATOM 363 C GLY A 146 8.219 5.861 17.482 1.00 0.00 C ATOM 364 O GLY A 146 8.172 4.876 18.192 1.00 0.00 O ATOM 0 H GLY A 146 10.492 5.013 18.309 1.00 0.00 H new ATOM 0 HA2 GLY A 146 9.484 7.597 17.237 1.00 0.00 H new ATOM 0 HA3 GLY A 146 9.795 6.323 16.076 1.00 0.00 H new ATOM 368 N VAL A 147 7.133 6.400 16.999 1.00 0.00 N ATOM 369 CA VAL A 147 5.804 5.806 17.316 1.00 0.00 C ATOM 370 C VAL A 147 5.237 5.132 16.065 1.00 0.00 C ATOM 371 O VAL A 147 5.571 5.485 14.952 1.00 0.00 O ATOM 372 CB VAL A 147 4.847 6.908 17.777 1.00 0.00 C ATOM 373 CG1 VAL A 147 3.576 6.274 18.348 1.00 0.00 C ATOM 374 CG2 VAL A 147 5.525 7.752 18.858 1.00 0.00 C ATOM 0 H VAL A 147 7.109 7.225 16.399 1.00 0.00 H new ATOM 0 HA VAL A 147 5.917 5.068 18.110 1.00 0.00 H new ATOM 0 HB VAL A 147 4.588 7.542 16.929 1.00 0.00 H new ATOM 0 HG11 VAL A 147 2.894 7.058 18.676 1.00 0.00 H new ATOM 0 HG12 VAL A 147 3.093 5.672 17.579 1.00 0.00 H new ATOM 0 HG13 VAL A 147 3.835 5.640 19.196 1.00 0.00 H new ATOM 0 HG21 VAL A 147 4.844 8.537 19.187 1.00 0.00 H new ATOM 0 HG22 VAL A 147 5.784 7.118 19.706 1.00 0.00 H new ATOM 0 HG23 VAL A 147 6.431 8.203 18.453 1.00 0.00 H new ATOM 384 N VAL A 148 4.378 4.165 16.241 1.00 0.00 N ATOM 385 CA VAL A 148 3.789 3.472 15.061 1.00 0.00 C ATOM 386 C VAL A 148 2.430 4.095 14.733 1.00 0.00 C ATOM 387 O VAL A 148 1.496 4.014 15.504 1.00 0.00 O ATOM 388 CB VAL A 148 3.614 1.983 15.380 1.00 0.00 C ATOM 389 CG1 VAL A 148 3.019 1.826 16.781 1.00 0.00 C ATOM 390 CG2 VAL A 148 2.678 1.340 14.353 1.00 0.00 C ATOM 0 H VAL A 148 4.060 3.826 17.149 1.00 0.00 H new ATOM 0 HA VAL A 148 4.452 3.580 14.203 1.00 0.00 H new ATOM 0 HB VAL A 148 4.586 1.491 15.340 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.895 0.767 17.007 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.688 2.277 17.513 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.049 2.322 16.822 1.00 0.00 H new ATOM 0 HG21 VAL A 148 2.557 0.282 14.584 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.706 1.833 14.388 1.00 0.00 H new ATOM 0 HG23 VAL A 148 3.104 1.447 13.355 1.00 0.00 H new ATOM 400 N GLU A 149 2.315 4.718 13.591 1.00 0.00 N ATOM 401 CA GLU A 149 1.018 5.346 13.213 1.00 0.00 C ATOM 402 C GLU A 149 0.037 4.257 12.776 1.00 0.00 C ATOM 403 O GLU A 149 -1.153 4.353 13.001 1.00 0.00 O ATOM 404 CB GLU A 149 1.243 6.320 12.056 1.00 0.00 C ATOM 405 CG GLU A 149 2.139 7.468 12.523 1.00 0.00 C ATOM 406 CD GLU A 149 1.396 8.304 13.567 1.00 0.00 C ATOM 407 OE1 GLU A 149 0.197 8.122 13.697 1.00 0.00 O ATOM 408 OE2 GLU A 149 2.037 9.111 14.218 1.00 0.00 O ATOM 0 H GLU A 149 3.063 4.819 12.905 1.00 0.00 H new ATOM 0 HA GLU A 149 0.610 5.884 14.068 1.00 0.00 H new ATOM 0 HB2 GLU A 149 1.705 5.802 11.216 1.00 0.00 H new ATOM 0 HB3 GLU A 149 0.288 6.710 11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 149 3.062 7.073 12.948 1.00 0.00 H new ATOM 0 HG3 GLU A 149 2.420 8.092 11.675 1.00 0.00 H new ATOM 415 N GLU A 150 0.529 3.221 12.154 1.00 0.00 N ATOM 416 CA GLU A 150 -0.373 2.124 11.704 1.00 0.00 C ATOM 417 C GLU A 150 0.440 0.841 11.518 1.00 0.00 C ATOM 418 O GLU A 150 1.644 0.876 11.360 1.00 0.00 O ATOM 419 CB GLU A 150 -1.027 2.512 10.377 1.00 0.00 C ATOM 420 CG GLU A 150 -1.997 3.672 10.608 1.00 0.00 C ATOM 421 CD GLU A 150 -2.786 3.939 9.325 1.00 0.00 C ATOM 422 OE1 GLU A 150 -2.496 3.295 8.330 1.00 0.00 O ATOM 423 OE2 GLU A 150 -3.665 4.785 9.358 1.00 0.00 O ATOM 0 H GLU A 150 1.517 3.087 11.938 1.00 0.00 H new ATOM 0 HA GLU A 150 -1.147 1.959 12.454 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -0.264 2.800 9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -1.558 1.658 9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -2.679 3.433 11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -1.448 4.566 10.903 1.00 0.00 H new ATOM 430 N VAL A 151 -0.207 -0.292 11.537 1.00 0.00 N ATOM 431 CA VAL A 151 0.531 -1.574 11.361 1.00 0.00 C ATOM 432 C VAL A 151 -0.122 -2.392 10.245 1.00 0.00 C ATOM 433 O VAL A 151 -1.307 -2.292 10.000 1.00 0.00 O ATOM 434 CB VAL A 151 0.486 -2.371 12.667 1.00 0.00 C ATOM 435 CG1 VAL A 151 1.377 -3.608 12.539 1.00 0.00 C ATOM 436 CG2 VAL A 151 0.989 -1.495 13.816 1.00 0.00 C ATOM 0 H VAL A 151 -1.214 -0.385 11.667 1.00 0.00 H new ATOM 0 HA VAL A 151 1.567 -1.362 11.098 1.00 0.00 H new ATOM 0 HB VAL A 151 -0.539 -2.681 12.870 1.00 0.00 H new ATOM 0 HG11 VAL A 151 1.346 -4.177 13.468 1.00 0.00 H new ATOM 0 HG12 VAL A 151 1.018 -4.232 11.720 1.00 0.00 H new ATOM 0 HG13 VAL A 151 2.402 -3.298 12.337 1.00 0.00 H new ATOM 0 HG21 VAL A 151 0.957 -2.062 14.746 1.00 0.00 H new ATOM 0 HG22 VAL A 151 2.014 -1.185 13.615 1.00 0.00 H new ATOM 0 HG23 VAL A 151 0.354 -0.614 13.906 1.00 0.00 H new ATOM 446 N ASP A 152 0.645 -3.200 9.567 1.00 0.00 N ATOM 447 CA ASP A 152 0.070 -4.025 8.469 1.00 0.00 C ATOM 448 C ASP A 152 0.297 -5.506 8.776 1.00 0.00 C ATOM 449 O ASP A 152 1.250 -6.107 8.319 1.00 0.00 O ATOM 450 CB ASP A 152 0.756 -3.665 7.148 1.00 0.00 C ATOM 451 CG ASP A 152 0.448 -2.209 6.795 1.00 0.00 C ATOM 452 OD1 ASP A 152 -0.469 -1.658 7.381 1.00 0.00 O ATOM 453 OD2 ASP A 152 1.137 -1.668 5.944 1.00 0.00 O ATOM 0 H ASP A 152 1.645 -3.324 9.726 1.00 0.00 H new ATOM 0 HA ASP A 152 -0.999 -3.830 8.387 1.00 0.00 H new ATOM 0 HB2 ASP A 152 1.833 -3.810 7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 152 0.408 -4.325 6.353 1.00 0.00 H new ATOM 458 N TYR A 153 -0.570 -6.100 9.549 1.00 0.00 N ATOM 459 CA TYR A 153 -0.402 -7.542 9.887 1.00 0.00 C ATOM 460 C TYR A 153 -0.357 -8.366 8.600 1.00 0.00 C ATOM 461 O TYR A 153 0.328 -9.367 8.515 1.00 0.00 O ATOM 462 CB TYR A 153 -1.579 -8.004 10.748 1.00 0.00 C ATOM 463 CG TYR A 153 -1.656 -7.158 11.996 1.00 0.00 C ATOM 464 CD1 TYR A 153 -0.661 -7.265 12.975 1.00 0.00 C ATOM 465 CD2 TYR A 153 -2.722 -6.269 12.174 1.00 0.00 C ATOM 466 CE1 TYR A 153 -0.732 -6.481 14.134 1.00 0.00 C ATOM 467 CE2 TYR A 153 -2.793 -5.485 13.333 1.00 0.00 C ATOM 468 CZ TYR A 153 -1.799 -5.592 14.311 1.00 0.00 C ATOM 469 OH TYR A 153 -1.869 -4.819 15.453 1.00 0.00 O ATOM 0 H TYR A 153 -1.387 -5.650 9.961 1.00 0.00 H new ATOM 0 HA TYR A 153 0.528 -7.680 10.439 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -2.508 -7.924 10.184 1.00 0.00 H new ATOM 0 HB3 TYR A 153 -1.457 -9.054 11.015 1.00 0.00 H new ATOM 0 HD1 TYR A 153 0.161 -7.952 12.837 1.00 0.00 H new ATOM 0 HD2 TYR A 153 -3.489 -6.187 11.418 1.00 0.00 H new ATOM 0 HE1 TYR A 153 0.035 -6.562 14.890 1.00 0.00 H new ATOM 0 HE2 TYR A 153 -3.615 -4.798 13.471 1.00 0.00 H new ATOM 0 HH TYR A 153 -1.033 -4.319 15.562 1.00 0.00 H new ATOM 479 N GLU A 154 -1.082 -7.957 7.596 1.00 0.00 N ATOM 480 CA GLU A 154 -1.081 -8.718 6.315 1.00 0.00 C ATOM 481 C GLU A 154 0.315 -8.663 5.688 1.00 0.00 C ATOM 482 O GLU A 154 0.814 -9.644 5.174 1.00 0.00 O ATOM 483 CB GLU A 154 -2.097 -8.100 5.352 1.00 0.00 C ATOM 484 CG GLU A 154 -3.510 -8.295 5.907 1.00 0.00 C ATOM 485 CD GLU A 154 -4.533 -7.787 4.889 1.00 0.00 C ATOM 486 OE1 GLU A 154 -4.117 -7.189 3.910 1.00 0.00 O ATOM 487 OE2 GLU A 154 -5.713 -8.004 5.105 1.00 0.00 O ATOM 0 H GLU A 154 -1.676 -7.128 7.607 1.00 0.00 H new ATOM 0 HA GLU A 154 -1.351 -9.756 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -1.890 -7.038 5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -2.013 -8.565 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -3.686 -9.349 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -3.620 -7.757 6.848 1.00 0.00 H new ATOM 494 N LYS A 155 0.948 -7.523 5.728 1.00 0.00 N ATOM 495 CA LYS A 155 2.309 -7.407 5.133 1.00 0.00 C ATOM 496 C LYS A 155 3.365 -7.562 6.232 1.00 0.00 C ATOM 497 O LYS A 155 4.551 -7.572 5.968 1.00 0.00 O ATOM 498 CB LYS A 155 2.461 -6.036 4.470 1.00 0.00 C ATOM 499 CG LYS A 155 1.483 -5.927 3.297 1.00 0.00 C ATOM 500 CD LYS A 155 1.709 -4.603 2.564 1.00 0.00 C ATOM 501 CE LYS A 155 0.635 -4.426 1.489 1.00 0.00 C ATOM 502 NZ LYS A 155 0.089 -3.041 1.554 1.00 0.00 N ATOM 0 H LYS A 155 0.582 -6.668 6.146 1.00 0.00 H new ATOM 0 HA LYS A 155 2.445 -8.190 4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 155 2.266 -5.246 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 155 3.484 -5.901 4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.626 -6.763 2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 155 0.457 -5.984 3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 155 1.672 -3.773 3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 155 2.700 -4.591 2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 155 1.058 -4.615 0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -0.165 -5.151 1.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -0.641 -2.921 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -0.330 -2.876 2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 0.856 -2.358 1.393 1.00 0.00 H new ATOM 516 N SER A 156 2.945 -7.685 7.462 1.00 0.00 N ATOM 517 CA SER A 156 3.927 -7.841 8.571 1.00 0.00 C ATOM 518 C SER A 156 4.895 -6.656 8.568 1.00 0.00 C ATOM 519 O SER A 156 6.099 -6.825 8.563 1.00 0.00 O ATOM 520 CB SER A 156 4.711 -9.141 8.379 1.00 0.00 C ATOM 521 OG SER A 156 3.875 -10.248 8.686 1.00 0.00 O ATOM 0 H SER A 156 1.965 -7.684 7.746 1.00 0.00 H new ATOM 0 HA SER A 156 3.397 -7.873 9.523 1.00 0.00 H new ATOM 0 HB2 SER A 156 5.068 -9.215 7.352 1.00 0.00 H new ATOM 0 HB3 SER A 156 5.591 -9.146 9.023 1.00 0.00 H new ATOM 0 HG SER A 156 4.376 -11.081 8.561 1.00 0.00 H new ATOM 527 N ARG A 157 4.379 -5.456 8.571 1.00 0.00 N ATOM 528 CA ARG A 157 5.270 -4.261 8.569 1.00 0.00 C ATOM 529 C ARG A 157 4.729 -3.223 9.556 1.00 0.00 C ATOM 530 O ARG A 157 3.555 -3.203 9.868 1.00 0.00 O ATOM 531 CB ARG A 157 5.311 -3.655 7.165 1.00 0.00 C ATOM 532 CG ARG A 157 5.941 -4.658 6.195 1.00 0.00 C ATOM 533 CD ARG A 157 7.437 -4.781 6.488 1.00 0.00 C ATOM 534 NE ARG A 157 8.125 -3.517 6.098 1.00 0.00 N ATOM 535 CZ ARG A 157 8.623 -3.390 4.899 1.00 0.00 C ATOM 536 NH1 ARG A 157 9.384 -4.328 4.404 1.00 0.00 N ATOM 537 NH2 ARG A 157 8.361 -2.324 4.193 1.00 0.00 N ATOM 0 H ARG A 157 3.380 -5.252 8.575 1.00 0.00 H new ATOM 0 HA ARG A 157 6.276 -4.558 8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 157 4.303 -3.400 6.838 1.00 0.00 H new ATOM 0 HB3 ARG A 157 5.887 -2.730 7.173 1.00 0.00 H new ATOM 0 HG2 ARG A 157 5.459 -5.630 6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 157 5.787 -4.331 5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.596 -4.982 7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.858 -5.622 5.937 1.00 0.00 H new ATOM 0 HE ARG A 157 8.206 -2.752 6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 157 9.590 -5.161 4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 157 9.773 -4.228 3.466 1.00 0.00 H new ATOM 0 HH21 ARG A 157 7.767 -1.590 4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 157 8.750 -2.225 3.256 1.00 0.00 H new ATOM 551 N LEU A 158 5.575 -2.361 10.051 1.00 0.00 N ATOM 552 CA LEU A 158 5.105 -1.328 11.017 1.00 0.00 C ATOM 553 C LEU A 158 5.280 0.064 10.407 1.00 0.00 C ATOM 554 O LEU A 158 6.274 0.353 9.770 1.00 0.00 O ATOM 555 CB LEU A 158 5.923 -1.420 12.305 1.00 0.00 C ATOM 556 CG LEU A 158 5.713 -2.788 12.946 1.00 0.00 C ATOM 557 CD1 LEU A 158 6.479 -3.836 12.144 1.00 0.00 C ATOM 558 CD2 LEU A 158 6.235 -2.767 14.384 1.00 0.00 C ATOM 0 H LEU A 158 6.570 -2.327 9.829 1.00 0.00 H new ATOM 0 HA LEU A 158 4.052 -1.499 11.240 1.00 0.00 H new ATOM 0 HB2 LEU A 158 6.980 -1.267 12.088 1.00 0.00 H new ATOM 0 HB3 LEU A 158 5.622 -0.633 12.996 1.00 0.00 H new ATOM 0 HG LEU A 158 4.650 -3.030 12.952 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.334 -4.817 12.596 1.00 0.00 H new ATOM 0 HD12 LEU A 158 6.110 -3.851 11.118 1.00 0.00 H new ATOM 0 HD13 LEU A 158 7.541 -3.590 12.144 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.084 -3.745 14.840 1.00 0.00 H new ATOM 0 HD22 LEU A 158 7.298 -2.528 14.382 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.695 -2.013 14.956 1.00 0.00 H new ATOM 570 N LYS A 159 4.325 0.932 10.601 1.00 0.00 N ATOM 571 CA LYS A 159 4.440 2.307 10.039 1.00 0.00 C ATOM 572 C LYS A 159 4.859 3.272 11.152 1.00 0.00 C ATOM 573 O LYS A 159 4.032 3.847 11.831 1.00 0.00 O ATOM 574 CB LYS A 159 3.089 2.741 9.468 1.00 0.00 C ATOM 575 CG LYS A 159 2.683 1.792 8.339 1.00 0.00 C ATOM 576 CD LYS A 159 1.596 2.448 7.485 1.00 0.00 C ATOM 577 CE LYS A 159 1.118 1.458 6.421 1.00 0.00 C ATOM 578 NZ LYS A 159 0.091 2.111 5.560 1.00 0.00 N ATOM 0 H LYS A 159 3.469 0.748 11.125 1.00 0.00 H new ATOM 0 HA LYS A 159 5.187 2.317 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 159 2.332 2.735 10.252 1.00 0.00 H new ATOM 0 HB3 LYS A 159 3.152 3.763 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 159 3.549 1.552 7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 159 2.317 0.853 8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 159 0.760 2.755 8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 159 1.985 3.349 7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 159 1.960 1.126 5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 159 0.699 0.571 6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -0.234 1.438 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -0.716 2.407 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 0.506 2.944 5.096 1.00 0.00 H new ATOM 592 N VAL A 160 6.138 3.447 11.349 1.00 0.00 N ATOM 593 CA VAL A 160 6.607 4.367 12.423 1.00 0.00 C ATOM 594 C VAL A 160 7.334 5.563 11.803 1.00 0.00 C ATOM 595 O VAL A 160 7.960 5.452 10.767 1.00 0.00 O ATOM 596 CB VAL A 160 7.565 3.616 13.351 1.00 0.00 C ATOM 597 CG1 VAL A 160 7.915 4.499 14.550 1.00 0.00 C ATOM 598 CG2 VAL A 160 6.897 2.331 13.844 1.00 0.00 C ATOM 0 H VAL A 160 6.877 2.993 10.813 1.00 0.00 H new ATOM 0 HA VAL A 160 5.748 4.724 12.991 1.00 0.00 H new ATOM 0 HB VAL A 160 8.475 3.367 12.805 1.00 0.00 H new ATOM 0 HG11 VAL A 160 8.597 3.963 15.210 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.393 5.414 14.201 1.00 0.00 H new ATOM 0 HG13 VAL A 160 7.005 4.750 15.095 1.00 0.00 H new ATOM 0 HG21 VAL A 160 7.580 1.797 14.505 1.00 0.00 H new ATOM 0 HG22 VAL A 160 5.986 2.580 14.388 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.649 1.699 12.991 1.00 0.00 H new ATOM 608 N SER A 161 7.259 6.704 12.433 1.00 0.00 N ATOM 609 CA SER A 161 7.948 7.908 11.887 1.00 0.00 C ATOM 610 C SER A 161 8.978 8.405 12.905 1.00 0.00 C ATOM 611 O SER A 161 8.683 8.557 14.074 1.00 0.00 O ATOM 612 CB SER A 161 6.920 9.010 11.623 1.00 0.00 C ATOM 613 OG SER A 161 7.582 10.170 11.140 1.00 0.00 O ATOM 0 H SER A 161 6.749 6.854 13.304 1.00 0.00 H new ATOM 0 HA SER A 161 8.449 7.650 10.954 1.00 0.00 H new ATOM 0 HB2 SER A 161 6.184 8.669 10.895 1.00 0.00 H new ATOM 0 HB3 SER A 161 6.377 9.243 12.539 1.00 0.00 H new ATOM 0 HG SER A 161 7.947 10.677 11.895 1.00 0.00 H new ATOM 619 N VAL A 162 10.183 8.656 12.474 1.00 0.00 N ATOM 620 CA VAL A 162 11.226 9.140 13.422 1.00 0.00 C ATOM 621 C VAL A 162 11.386 10.655 13.283 1.00 0.00 C ATOM 622 O VAL A 162 11.471 11.183 12.193 1.00 0.00 O ATOM 623 CB VAL A 162 12.559 8.457 13.105 1.00 0.00 C ATOM 624 CG1 VAL A 162 13.561 8.750 14.224 1.00 0.00 C ATOM 625 CG2 VAL A 162 12.346 6.947 12.992 1.00 0.00 C ATOM 0 H VAL A 162 10.491 8.547 11.508 1.00 0.00 H new ATOM 0 HA VAL A 162 10.925 8.900 14.442 1.00 0.00 H new ATOM 0 HB VAL A 162 12.947 8.839 12.161 1.00 0.00 H new ATOM 0 HG11 VAL A 162 14.510 8.264 13.999 1.00 0.00 H new ATOM 0 HG12 VAL A 162 13.714 9.826 14.303 1.00 0.00 H new ATOM 0 HG13 VAL A 162 13.173 8.369 15.169 1.00 0.00 H new ATOM 0 HG21 VAL A 162 13.295 6.462 12.766 1.00 0.00 H new ATOM 0 HG22 VAL A 162 11.957 6.563 13.935 1.00 0.00 H new ATOM 0 HG23 VAL A 162 11.633 6.739 12.194 1.00 0.00 H new ATOM 635 N SER A 163 11.434 11.359 14.382 1.00 0.00 N ATOM 636 CA SER A 163 11.594 12.840 14.311 1.00 0.00 C ATOM 637 C SER A 163 13.080 13.182 14.185 1.00 0.00 C ATOM 638 O SER A 163 13.739 13.497 15.156 1.00 0.00 O ATOM 639 CB SER A 163 11.030 13.476 15.583 1.00 0.00 C ATOM 640 OG SER A 163 11.138 14.889 15.491 1.00 0.00 O ATOM 0 H SER A 163 11.369 10.973 15.324 1.00 0.00 H new ATOM 0 HA SER A 163 11.056 13.225 13.445 1.00 0.00 H new ATOM 0 HB2 SER A 163 9.987 13.188 15.715 1.00 0.00 H new ATOM 0 HB3 SER A 163 11.574 13.115 16.456 1.00 0.00 H new ATOM 0 HG SER A 163 10.776 15.298 16.304 1.00 0.00 H new ATOM 692 N ARG A 167 12.221 17.026 11.914 1.00 0.00 N ATOM 693 CA ARG A 167 11.151 16.753 10.914 1.00 0.00 C ATOM 694 C ARG A 167 10.731 15.283 11.006 1.00 0.00 C ATOM 695 O ARG A 167 11.554 14.402 11.158 1.00 0.00 O ATOM 696 CB ARG A 167 11.681 17.045 9.509 1.00 0.00 C ATOM 697 CG ARG A 167 11.938 18.546 9.363 1.00 0.00 C ATOM 698 CD ARG A 167 12.295 18.863 7.910 1.00 0.00 C ATOM 699 NE ARG A 167 12.787 20.267 7.814 1.00 0.00 N ATOM 700 CZ ARG A 167 11.981 21.214 7.416 1.00 0.00 C ATOM 701 NH1 ARG A 167 11.089 21.698 8.236 1.00 0.00 N ATOM 702 NH2 ARG A 167 12.067 21.676 6.198 1.00 0.00 N ATOM 0 HA ARG A 167 10.291 17.390 11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 167 12.602 16.489 9.333 1.00 0.00 H new ATOM 0 HB3 ARG A 167 10.961 16.714 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 167 11.053 19.108 9.662 1.00 0.00 H new ATOM 0 HG3 ARG A 167 12.749 18.853 10.023 1.00 0.00 H new ATOM 0 HD2 ARG A 167 13.060 18.173 7.553 1.00 0.00 H new ATOM 0 HD3 ARG A 167 11.422 18.728 7.272 1.00 0.00 H new ATOM 0 HE ARG A 167 13.752 20.488 8.059 1.00 0.00 H new ATOM 0 HH11 ARG A 167 11.022 21.337 9.187 1.00 0.00 H new ATOM 0 HH12 ARG A 167 10.459 22.438 7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 167 12.764 21.297 5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 167 11.437 22.416 5.887 1.00 0.00 H new ATOM 716 N ALA A 168 9.458 15.014 10.914 1.00 0.00 N ATOM 717 CA ALA A 168 8.989 13.602 10.996 1.00 0.00 C ATOM 718 C ALA A 168 9.370 12.863 9.712 1.00 0.00 C ATOM 719 O ALA A 168 9.312 13.410 8.629 1.00 0.00 O ATOM 720 CB ALA A 168 7.469 13.577 11.167 1.00 0.00 C ATOM 0 H ALA A 168 8.723 15.710 10.786 1.00 0.00 H new ATOM 0 HA ALA A 168 9.458 13.113 11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.127 12.544 11.227 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.197 14.103 12.082 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.999 14.066 10.314 1.00 0.00 H new ATOM 726 N THR A 169 9.760 11.622 9.823 1.00 0.00 N ATOM 727 CA THR A 169 10.145 10.849 8.609 1.00 0.00 C ATOM 728 C THR A 169 9.380 9.524 8.584 1.00 0.00 C ATOM 729 O THR A 169 9.953 8.465 8.746 1.00 0.00 O ATOM 730 CB THR A 169 11.649 10.569 8.636 1.00 0.00 C ATOM 731 OG1 THR A 169 12.352 11.791 8.813 1.00 0.00 O ATOM 732 CG2 THR A 169 12.073 9.921 7.317 1.00 0.00 C ATOM 0 H THR A 169 9.828 11.110 10.703 1.00 0.00 H new ATOM 0 HA THR A 169 9.900 11.427 7.718 1.00 0.00 H new ATOM 0 HB THR A 169 11.879 9.893 9.460 1.00 0.00 H new ATOM 0 HG1 THR A 169 13.316 11.614 8.832 1.00 0.00 H new ATOM 0 HG21 THR A 169 13.144 9.722 7.337 1.00 0.00 H new ATOM 0 HG22 THR A 169 11.532 8.984 7.182 1.00 0.00 H new ATOM 0 HG23 THR A 169 11.845 10.594 6.491 1.00 0.00 H new ATOM 740 N PRO A 170 8.058 9.590 8.376 1.00 0.00 N ATOM 741 CA PRO A 170 7.202 8.398 8.328 1.00 0.00 C ATOM 742 C PRO A 170 7.820 7.289 7.471 1.00 0.00 C ATOM 743 O PRO A 170 7.849 7.371 6.260 1.00 0.00 O ATOM 744 CB PRO A 170 5.917 8.905 7.676 1.00 0.00 C ATOM 745 CG PRO A 170 6.343 10.089 6.875 1.00 0.00 C ATOM 746 CD PRO A 170 7.477 10.721 7.630 1.00 0.00 C ATOM 0 HA PRO A 170 7.052 7.963 9.316 1.00 0.00 H new ATOM 0 HB2 PRO A 170 5.465 8.141 7.044 1.00 0.00 H new ATOM 0 HB3 PRO A 170 5.174 9.180 8.425 1.00 0.00 H new ATOM 0 HG2 PRO A 170 6.660 9.789 5.876 1.00 0.00 H new ATOM 0 HG3 PRO A 170 5.519 10.792 6.751 1.00 0.00 H new ATOM 0 HD2 PRO A 170 8.204 11.176 6.957 1.00 0.00 H new ATOM 0 HD3 PRO A 170 7.127 11.507 8.299 1.00 0.00 H new ATOM 754 N VAL A 171 8.316 6.253 8.091 1.00 0.00 N ATOM 755 CA VAL A 171 8.930 5.143 7.311 1.00 0.00 C ATOM 756 C VAL A 171 8.410 3.802 7.832 1.00 0.00 C ATOM 757 O VAL A 171 7.978 3.689 8.963 1.00 0.00 O ATOM 758 CB VAL A 171 10.452 5.191 7.466 1.00 0.00 C ATOM 759 CG1 VAL A 171 10.967 6.559 7.014 1.00 0.00 C ATOM 760 CG2 VAL A 171 10.822 4.965 8.933 1.00 0.00 C ATOM 0 H VAL A 171 8.322 6.128 9.103 1.00 0.00 H new ATOM 0 HA VAL A 171 8.666 5.252 6.259 1.00 0.00 H new ATOM 0 HB VAL A 171 10.905 4.412 6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 171 12.051 6.594 7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 171 10.703 6.720 5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 171 10.515 7.339 7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 171 11.906 4.999 9.044 1.00 0.00 H new ATOM 0 HG22 VAL A 171 10.370 5.744 9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 171 10.455 3.991 9.255 1.00 0.00 H new ATOM 770 N GLU A 172 8.449 2.785 7.017 1.00 0.00 N ATOM 771 CA GLU A 172 7.959 1.450 7.464 1.00 0.00 C ATOM 772 C GLU A 172 9.155 0.534 7.728 1.00 0.00 C ATOM 773 O GLU A 172 10.044 0.407 6.910 1.00 0.00 O ATOM 774 CB GLU A 172 7.078 0.836 6.374 1.00 0.00 C ATOM 775 CG GLU A 172 5.888 1.759 6.101 1.00 0.00 C ATOM 776 CD GLU A 172 4.966 1.110 5.068 1.00 0.00 C ATOM 777 OE1 GLU A 172 5.366 0.113 4.488 1.00 0.00 O ATOM 778 OE2 GLU A 172 3.875 1.621 4.874 1.00 0.00 O ATOM 0 H GLU A 172 8.799 2.820 6.060 1.00 0.00 H new ATOM 0 HA GLU A 172 7.377 1.564 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 172 7.657 0.692 5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 172 6.726 -0.147 6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 172 5.341 1.948 7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 172 6.239 2.724 5.736 1.00 0.00 H new ATOM 785 N LEU A 173 9.188 -0.103 8.866 1.00 0.00 N ATOM 786 CA LEU A 173 10.329 -1.007 9.179 1.00 0.00 C ATOM 787 C LEU A 173 9.812 -2.431 9.395 1.00 0.00 C ATOM 788 O LEU A 173 8.655 -2.641 9.700 1.00 0.00 O ATOM 789 CB LEU A 173 11.031 -0.521 10.451 1.00 0.00 C ATOM 790 CG LEU A 173 11.489 0.928 10.266 1.00 0.00 C ATOM 791 CD1 LEU A 173 12.192 1.076 8.915 1.00 0.00 C ATOM 792 CD2 LEU A 173 10.274 1.858 10.312 1.00 0.00 C ATOM 0 H LEU A 173 8.474 -0.036 9.592 1.00 0.00 H new ATOM 0 HA LEU A 173 11.034 -1.000 8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 173 10.353 -0.593 11.302 1.00 0.00 H new ATOM 0 HB3 LEU A 173 11.888 -1.158 10.671 1.00 0.00 H new ATOM 0 HG LEU A 173 12.181 1.193 11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 173 12.517 2.108 8.785 1.00 0.00 H new ATOM 0 HD12 LEU A 173 13.058 0.416 8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 173 11.502 0.810 8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 173 10.600 2.890 10.180 1.00 0.00 H new ATOM 0 HD22 LEU A 173 9.582 1.592 9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 173 9.774 1.756 11.275 1.00 0.00 H new ATOM 804 N ASP A 174 10.661 -3.409 9.239 1.00 0.00 N ATOM 805 CA ASP A 174 10.220 -4.819 9.434 1.00 0.00 C ATOM 806 C ASP A 174 10.175 -5.140 10.930 1.00 0.00 C ATOM 807 O ASP A 174 10.818 -4.496 11.734 1.00 0.00 O ATOM 808 CB ASP A 174 11.205 -5.761 8.740 1.00 0.00 C ATOM 809 CG ASP A 174 11.127 -5.556 7.225 1.00 0.00 C ATOM 810 OD1 ASP A 174 10.182 -4.926 6.781 1.00 0.00 O ATOM 811 OD2 ASP A 174 12.013 -6.032 6.536 1.00 0.00 O ATOM 0 H ASP A 174 11.642 -3.293 8.985 1.00 0.00 H new ATOM 0 HA ASP A 174 9.226 -4.951 9.005 1.00 0.00 H new ATOM 0 HB2 ASP A 174 12.218 -5.568 9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 174 10.972 -6.796 8.990 1.00 0.00 H new ATOM 816 N PHE A 175 9.415 -6.133 11.308 1.00 0.00 N ATOM 817 CA PHE A 175 9.323 -6.502 12.749 1.00 0.00 C ATOM 818 C PHE A 175 10.729 -6.638 13.340 1.00 0.00 C ATOM 819 O PHE A 175 11.030 -6.089 14.383 1.00 0.00 O ATOM 820 CB PHE A 175 8.584 -7.836 12.887 1.00 0.00 C ATOM 821 CG PHE A 175 7.094 -7.591 12.860 1.00 0.00 C ATOM 822 CD1 PHE A 175 6.546 -6.708 11.922 1.00 0.00 C ATOM 823 CD2 PHE A 175 6.259 -8.245 13.775 1.00 0.00 C ATOM 824 CE1 PHE A 175 5.166 -6.478 11.899 1.00 0.00 C ATOM 825 CE2 PHE A 175 4.879 -8.015 13.751 1.00 0.00 C ATOM 826 CZ PHE A 175 4.331 -7.131 12.814 1.00 0.00 C ATOM 0 H PHE A 175 8.853 -6.706 10.678 1.00 0.00 H new ATOM 0 HA PHE A 175 8.780 -5.724 13.285 1.00 0.00 H new ATOM 0 HB2 PHE A 175 8.868 -8.507 12.076 1.00 0.00 H new ATOM 0 HB3 PHE A 175 8.866 -8.326 13.819 1.00 0.00 H new ATOM 0 HD1 PHE A 175 7.189 -6.204 11.216 1.00 0.00 H new ATOM 0 HD2 PHE A 175 6.680 -8.927 14.499 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.745 -5.796 11.175 1.00 0.00 H new ATOM 0 HE2 PHE A 175 4.236 -8.520 14.456 1.00 0.00 H new ATOM 0 HZ PHE A 175 3.266 -6.953 12.797 1.00 0.00 H new ATOM 836 N SER A 176 11.590 -7.368 12.687 1.00 0.00 N ATOM 837 CA SER A 176 12.974 -7.543 13.215 1.00 0.00 C ATOM 838 C SER A 176 13.752 -6.234 13.066 1.00 0.00 C ATOM 839 O SER A 176 14.699 -5.980 13.784 1.00 0.00 O ATOM 840 CB SER A 176 13.682 -8.649 12.430 1.00 0.00 C ATOM 841 OG SER A 176 12.841 -9.792 12.358 1.00 0.00 O ATOM 0 H SER A 176 11.396 -7.852 11.810 1.00 0.00 H new ATOM 0 HA SER A 176 12.927 -7.816 14.269 1.00 0.00 H new ATOM 0 HB2 SER A 176 13.925 -8.299 11.427 1.00 0.00 H new ATOM 0 HB3 SER A 176 14.624 -8.907 12.914 1.00 0.00 H new ATOM 0 HG SER A 176 13.294 -10.500 11.854 1.00 0.00 H new ATOM 847 N GLN A 177 13.366 -5.404 12.138 1.00 0.00 N ATOM 848 CA GLN A 177 14.088 -4.115 11.943 1.00 0.00 C ATOM 849 C GLN A 177 13.805 -3.181 13.122 1.00 0.00 C ATOM 850 O GLN A 177 14.583 -2.297 13.425 1.00 0.00 O ATOM 851 CB GLN A 177 13.615 -3.459 10.645 1.00 0.00 C ATOM 852 CG GLN A 177 14.280 -4.151 9.454 1.00 0.00 C ATOM 853 CD GLN A 177 13.791 -3.515 8.152 1.00 0.00 C ATOM 854 OE1 GLN A 177 12.918 -2.670 8.165 1.00 0.00 O ATOM 855 NE2 GLN A 177 14.320 -3.888 7.019 1.00 0.00 N ATOM 0 H GLN A 177 12.581 -5.562 11.506 1.00 0.00 H new ATOM 0 HA GLN A 177 15.160 -4.306 11.886 1.00 0.00 H new ATOM 0 HB2 GLN A 177 12.531 -3.531 10.562 1.00 0.00 H new ATOM 0 HB3 GLN A 177 13.865 -2.398 10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 177 15.364 -4.063 9.529 1.00 0.00 H new ATOM 0 HG3 GLN A 177 14.045 -5.215 9.461 1.00 0.00 H new ATOM 0 HE21 GLN A 177 15.053 -4.597 7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 177 14.001 -3.470 6.145 1.00 0.00 H new ATOM 864 N VAL A 178 12.701 -3.367 13.790 1.00 0.00 N ATOM 865 CA VAL A 178 12.375 -2.485 14.948 1.00 0.00 C ATOM 866 C VAL A 178 11.976 -3.345 16.149 1.00 0.00 C ATOM 867 O VAL A 178 11.642 -4.504 16.011 1.00 0.00 O ATOM 868 CB VAL A 178 11.213 -1.562 14.575 1.00 0.00 C ATOM 869 CG1 VAL A 178 11.566 -0.789 13.303 1.00 0.00 C ATOM 870 CG2 VAL A 178 9.955 -2.398 14.332 1.00 0.00 C ATOM 0 H VAL A 178 12.011 -4.090 13.586 1.00 0.00 H new ATOM 0 HA VAL A 178 13.249 -1.886 15.204 1.00 0.00 H new ATOM 0 HB VAL A 178 11.030 -0.860 15.388 1.00 0.00 H new ATOM 0 HG11 VAL A 178 10.739 -0.131 13.036 1.00 0.00 H new ATOM 0 HG12 VAL A 178 12.462 -0.193 13.476 1.00 0.00 H new ATOM 0 HG13 VAL A 178 11.748 -1.491 12.489 1.00 0.00 H new ATOM 0 HG21 VAL A 178 9.127 -1.741 14.066 1.00 0.00 H new ATOM 0 HG22 VAL A 178 10.136 -3.100 13.518 1.00 0.00 H new ATOM 0 HG23 VAL A 178 9.704 -2.950 15.238 1.00 0.00 H new ATOM 880 N GLU A 179 12.011 -2.785 17.328 1.00 0.00 N ATOM 881 CA GLU A 179 11.634 -3.569 18.538 1.00 0.00 C ATOM 882 C GLU A 179 10.455 -2.890 19.239 1.00 0.00 C ATOM 883 O GLU A 179 10.341 -1.681 19.252 1.00 0.00 O ATOM 884 CB GLU A 179 12.827 -3.634 19.493 1.00 0.00 C ATOM 885 CG GLU A 179 13.993 -4.347 18.805 1.00 0.00 C ATOM 886 CD GLU A 179 15.149 -4.506 19.793 1.00 0.00 C ATOM 887 OE1 GLU A 179 15.056 -3.955 20.878 1.00 0.00 O ATOM 888 OE2 GLU A 179 16.110 -5.176 19.449 1.00 0.00 O ATOM 0 H GLU A 179 12.284 -1.818 17.505 1.00 0.00 H new ATOM 0 HA GLU A 179 11.348 -4.579 18.243 1.00 0.00 H new ATOM 0 HB2 GLU A 179 13.125 -2.628 19.788 1.00 0.00 H new ATOM 0 HB3 GLU A 179 12.549 -4.164 20.404 1.00 0.00 H new ATOM 0 HG2 GLU A 179 13.673 -5.324 18.443 1.00 0.00 H new ATOM 0 HG3 GLU A 179 14.320 -3.777 17.936 1.00 0.00 H new ATOM 895 N LYS A 180 9.577 -3.660 19.821 1.00 0.00 N ATOM 896 CA LYS A 180 8.405 -3.060 20.520 1.00 0.00 C ATOM 897 C LYS A 180 8.878 -2.342 21.784 1.00 0.00 C ATOM 898 O LYS A 180 9.672 -2.860 22.545 1.00 0.00 O ATOM 899 CB LYS A 180 7.418 -4.165 20.900 1.00 0.00 C ATOM 900 CG LYS A 180 6.085 -3.537 21.314 1.00 0.00 C ATOM 901 CD LYS A 180 5.085 -4.643 21.657 1.00 0.00 C ATOM 902 CE LYS A 180 3.698 -4.031 21.860 1.00 0.00 C ATOM 903 NZ LYS A 180 3.453 -3.826 23.315 1.00 0.00 N ATOM 0 H LYS A 180 9.620 -4.679 19.843 1.00 0.00 H new ATOM 0 HA LYS A 180 7.914 -2.346 19.859 1.00 0.00 H new ATOM 0 HB2 LYS A 180 7.268 -4.840 20.057 1.00 0.00 H new ATOM 0 HB3 LYS A 180 7.821 -4.762 21.718 1.00 0.00 H new ATOM 0 HG2 LYS A 180 6.230 -2.884 22.174 1.00 0.00 H new ATOM 0 HG3 LYS A 180 5.696 -2.918 20.506 1.00 0.00 H new ATOM 0 HD2 LYS A 180 5.055 -5.382 20.856 1.00 0.00 H new ATOM 0 HD3 LYS A 180 5.400 -5.165 22.561 1.00 0.00 H new ATOM 0 HE2 LYS A 180 3.627 -3.081 21.331 1.00 0.00 H new ATOM 0 HE3 LYS A 180 2.935 -4.687 21.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 2.510 -3.410 23.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 3.503 -4.740 23.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 4.174 -3.184 23.701 1.00 0.00 H new ATOM 917 N ALA A 181 8.396 -1.151 22.018 1.00 0.00 N ATOM 918 CA ALA A 181 8.818 -0.401 23.233 1.00 0.00 C ATOM 919 C ALA A 181 8.124 -0.989 24.462 1.00 0.00 C ATOM 920 O ALA A 181 8.068 -2.190 24.641 1.00 0.00 O ATOM 921 CB ALA A 181 8.428 1.072 23.085 1.00 0.00 C ATOM 0 H ALA A 181 7.728 -0.666 21.419 1.00 0.00 H new ATOM 0 HA ALA A 181 9.899 -0.481 23.352 1.00 0.00 H new ATOM 0 HB1 ALA A 181 8.737 1.621 23.974 1.00 0.00 H new ATOM 0 HB2 ALA A 181 8.922 1.493 22.209 1.00 0.00 H new ATOM 0 HB3 ALA A 181 7.347 1.152 22.966 1.00 0.00 H new