USER MOD reduce.3.24.130724 H: found=0, std=0, add=140, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 141 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 7 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0744) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.5 K(o=-1.5,f=-6.9!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00453 USER MOD ----------------------------------------------------------------- ATOM 108 N LYS A 7 -2.965 -6.618 -6.542 1.00 0.00 N ATOM 109 CA LYS A 7 -4.380 -6.364 -6.298 1.00 0.00 C ATOM 110 C LYS A 7 -4.759 -6.877 -4.911 1.00 0.00 C ATOM 111 O LYS A 7 -4.161 -7.838 -4.421 1.00 0.00 O ATOM 112 CB LYS A 7 -5.256 -7.041 -7.369 1.00 0.00 C ATOM 113 CG LYS A 7 -5.510 -8.528 -7.128 1.00 0.00 C ATOM 114 CD LYS A 7 -4.255 -9.368 -7.317 1.00 0.00 C ATOM 115 CE LYS A 7 -4.361 -10.699 -6.585 1.00 0.00 C ATOM 116 NZ LYS A 7 -5.574 -11.467 -6.985 1.00 0.00 N ATOM 0 HA LYS A 7 -4.554 -5.289 -6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.214 -6.524 -7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.779 -6.919 -8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.890 -8.670 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.284 -8.877 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.092 -9.548 -8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.388 -8.818 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.472 -11.296 -6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.385 -10.520 -5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.520 -12.430 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.423 -10.992 -6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.627 -11.516 -8.022 1.00 0.00 H new ATOM 130 N CYS A 8 -5.734 -6.247 -4.283 1.00 0.00 N ATOM 131 CA CYS A 8 -6.162 -6.659 -2.956 1.00 0.00 C ATOM 132 C CYS A 8 -7.643 -6.390 -2.740 1.00 0.00 C ATOM 133 O CYS A 8 -8.176 -5.378 -3.192 1.00 0.00 O ATOM 134 CB CYS A 8 -5.337 -5.935 -1.884 1.00 0.00 C ATOM 135 SG CYS A 8 -5.342 -4.116 -2.031 1.00 0.00 S ATOM 0 H CYS A 8 -6.244 -5.451 -4.667 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.999 -7.733 -2.873 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.720 -6.209 -0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.307 -6.289 -1.935 1.00 0.00 H new ATOM 140 N ARG A 9 -8.302 -7.295 -2.026 1.00 0.00 N ATOM 141 CA ARG A 9 -9.716 -7.137 -1.720 1.00 0.00 C ATOM 142 C ARG A 9 -9.854 -6.734 -0.259 1.00 0.00 C ATOM 143 O ARG A 9 -10.956 -6.648 0.288 1.00 0.00 O ATOM 144 CB ARG A 9 -10.499 -8.425 -2.012 1.00 0.00 C ATOM 145 CG ARG A 9 -10.083 -9.628 -1.176 1.00 0.00 C ATOM 146 CD ARG A 9 -9.599 -10.767 -2.060 1.00 0.00 C ATOM 147 NE ARG A 9 -9.856 -12.088 -1.472 1.00 0.00 N ATOM 148 CZ ARG A 9 -9.150 -12.625 -0.472 1.00 0.00 C ATOM 149 NH1 ARG A 9 -8.086 -12.002 0.014 1.00 0.00 N ATOM 150 NH2 ARG A 9 -9.499 -13.810 0.023 1.00 0.00 N ATOM 0 H ARG A 9 -7.880 -8.144 -1.649 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.138 -6.360 -2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.559 -8.234 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.381 -8.674 -3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.292 -9.338 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.926 -9.965 -0.573 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.092 -10.703 -3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.529 -10.655 -2.238 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.628 -12.634 -1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.799 -11.104 -0.375 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.554 -12.421 0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.303 -14.306 -0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.962 -14.222 0.786 1.00 0.00 H new ATOM 164 N ARG A 10 -8.694 -6.492 0.346 1.00 0.00 N ATOM 165 CA ARG A 10 -8.564 -6.085 1.739 1.00 0.00 C ATOM 166 C ARG A 10 -7.092 -6.077 2.109 1.00 0.00 C ATOM 167 O ARG A 10 -6.253 -6.521 1.327 1.00 0.00 O ATOM 168 CB ARG A 10 -9.338 -7.004 2.688 1.00 0.00 C ATOM 169 CG ARG A 10 -9.014 -8.480 2.532 1.00 0.00 C ATOM 170 CD ARG A 10 -9.983 -9.338 3.323 1.00 0.00 C ATOM 171 NE ARG A 10 -11.371 -9.082 2.936 1.00 0.00 N ATOM 172 CZ ARG A 10 -12.426 -9.660 3.508 1.00 0.00 C ATOM 173 NH1 ARG A 10 -12.256 -10.529 4.499 1.00 0.00 N ATOM 174 NH2 ARG A 10 -13.653 -9.361 3.092 1.00 0.00 N ATOM 0 H ARG A 10 -7.797 -6.576 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.992 -5.088 1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.129 -6.705 3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.406 -6.859 2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.056 -8.755 1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.995 -8.670 2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.749 -10.391 3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.859 -9.140 4.388 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.541 -8.419 2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.316 -10.755 4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.066 -10.970 4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.786 -8.690 2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.462 -9.803 3.529 1.00 0.00 H new ATOM 188 N ASP A 11 -6.788 -5.568 3.291 1.00 0.00 N ATOM 189 CA ASP A 11 -5.408 -5.489 3.773 1.00 0.00 C ATOM 190 C ASP A 11 -4.757 -6.864 3.843 1.00 0.00 C ATOM 191 O ASP A 11 -3.553 -6.995 3.680 1.00 0.00 O ATOM 192 CB ASP A 11 -5.360 -4.820 5.147 1.00 0.00 C ATOM 193 CG ASP A 11 -5.575 -3.323 5.066 1.00 0.00 C ATOM 194 OD1 ASP A 11 -5.577 -2.784 3.937 1.00 0.00 O ATOM 195 OD2 ASP A 11 -5.736 -2.689 6.125 1.00 0.00 O ATOM 0 H ASP A 11 -7.480 -5.199 3.943 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.847 -4.886 3.059 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.123 -5.260 5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.396 -5.021 5.613 1.00 0.00 H new ATOM 200 N SER A 12 -5.570 -7.883 4.091 1.00 0.00 N ATOM 201 CA SER A 12 -5.091 -9.259 4.196 1.00 0.00 C ATOM 202 C SER A 12 -4.346 -9.718 2.935 1.00 0.00 C ATOM 203 O SER A 12 -3.500 -10.606 3.000 1.00 0.00 O ATOM 204 CB SER A 12 -6.277 -10.183 4.463 1.00 0.00 C ATOM 205 OG SER A 12 -7.122 -9.640 5.466 1.00 0.00 O ATOM 0 H SER A 12 -6.576 -7.782 4.225 1.00 0.00 H new ATOM 0 HA SER A 12 -4.380 -9.302 5.021 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.844 -10.330 3.544 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.917 -11.163 4.776 1.00 0.00 H new ATOM 0 HG SER A 12 -7.877 -10.246 5.621 1.00 0.00 H new ATOM 211 N ASP A 13 -4.679 -9.123 1.793 1.00 0.00 N ATOM 212 CA ASP A 13 -4.054 -9.485 0.520 1.00 0.00 C ATOM 213 C ASP A 13 -2.674 -8.854 0.362 1.00 0.00 C ATOM 214 O ASP A 13 -2.061 -8.958 -0.703 1.00 0.00 O ATOM 215 CB ASP A 13 -4.920 -9.027 -0.660 1.00 0.00 C ATOM 216 CG ASP A 13 -6.300 -9.645 -0.688 1.00 0.00 C ATOM 217 OD1 ASP A 13 -7.084 -9.426 0.260 1.00 0.00 O ATOM 218 OD2 ASP A 13 -6.627 -10.334 -1.673 1.00 0.00 O ATOM 0 H ASP A 13 -5.380 -8.386 1.721 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.955 -10.571 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.020 -7.942 -0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.406 -9.269 -1.590 1.00 0.00 H new ATOM 223 N CYS A 14 -2.188 -8.178 1.391 1.00 0.00 N ATOM 224 CA CYS A 14 -0.895 -7.523 1.294 1.00 0.00 C ATOM 225 C CYS A 14 -0.205 -7.465 2.658 1.00 0.00 C ATOM 226 O CYS A 14 -0.863 -7.371 3.689 1.00 0.00 O ATOM 227 CB CYS A 14 -1.093 -6.111 0.737 1.00 0.00 C ATOM 228 SG CYS A 14 0.280 -5.507 -0.295 1.00 0.00 S ATOM 0 H CYS A 14 -2.660 -8.070 2.288 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.255 -8.097 0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.010 -6.092 0.147 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.235 -5.422 1.570 1.00 0.00 H new ATOM 233 N PRO A 15 1.139 -7.540 2.680 1.00 0.00 N ATOM 234 CA PRO A 15 1.924 -7.502 3.919 1.00 0.00 C ATOM 235 C PRO A 15 1.634 -6.275 4.773 1.00 0.00 C ATOM 236 O PRO A 15 1.287 -5.215 4.258 1.00 0.00 O ATOM 237 CB PRO A 15 3.370 -7.463 3.427 1.00 0.00 C ATOM 238 CG PRO A 15 3.314 -8.113 2.099 1.00 0.00 C ATOM 239 CD PRO A 15 2.004 -7.684 1.498 1.00 0.00 C ATOM 0 HA PRO A 15 1.691 -8.353 4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.740 -6.440 3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.037 -7.996 4.105 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.152 -7.804 1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.368 -9.198 2.190 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.098 -6.748 0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.616 -8.426 0.800 1.00 0.00 H new ATOM 247 N GLY A 16 1.791 -6.452 6.079 1.00 0.00 N ATOM 248 CA GLY A 16 1.547 -5.387 7.051 1.00 0.00 C ATOM 249 C GLY A 16 2.286 -4.092 6.755 1.00 0.00 C ATOM 250 O GLY A 16 1.866 -3.021 7.189 1.00 0.00 O ATOM 0 H GLY A 16 2.090 -7.334 6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.477 -5.182 7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.837 -5.740 8.041 1.00 0.00 H new ATOM 254 N ALA A 17 3.387 -4.185 6.017 1.00 0.00 N ATOM 255 CA ALA A 17 4.178 -3.012 5.658 1.00 0.00 C ATOM 256 C ALA A 17 3.373 -2.059 4.775 1.00 0.00 C ATOM 257 O ALA A 17 3.672 -0.864 4.684 1.00 0.00 O ATOM 258 CB ALA A 17 5.458 -3.435 4.954 1.00 0.00 C ATOM 0 H ALA A 17 3.754 -5.065 5.654 1.00 0.00 H new ATOM 0 HA ALA A 17 4.440 -2.483 6.575 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.038 -2.550 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.045 -4.071 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.209 -3.987 4.048 1.00 0.00 H new ATOM 264 N CYS A 18 2.347 -2.594 4.130 1.00 0.00 N ATOM 265 CA CYS A 18 1.491 -1.809 3.262 1.00 0.00 C ATOM 266 C CYS A 18 0.028 -2.019 3.632 1.00 0.00 C ATOM 267 O CYS A 18 -0.287 -2.768 4.553 1.00 0.00 O ATOM 268 CB CYS A 18 1.722 -2.196 1.801 1.00 0.00 C ATOM 269 SG CYS A 18 3.452 -2.122 1.282 1.00 0.00 S ATOM 0 H CYS A 18 2.088 -3.578 4.195 1.00 0.00 H new ATOM 0 HA CYS A 18 1.738 -0.755 3.391 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.349 -3.208 1.641 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.134 -1.535 1.164 1.00 0.00 H new ATOM 0 HG CYS A 18 3.545 -2.469 0.033 1.00 0.00 H new ATOM 275 N ILE A 19 -0.851 -1.358 2.901 1.00 0.00 N ATOM 276 CA ILE A 19 -2.287 -1.456 3.123 1.00 0.00 C ATOM 277 C ILE A 19 -3.012 -1.446 1.786 1.00 0.00 C ATOM 278 O ILE A 19 -2.453 -1.000 0.774 1.00 0.00 O ATOM 279 CB ILE A 19 -2.832 -0.301 4.000 1.00 0.00 C ATOM 280 CG1 ILE A 19 -2.384 1.056 3.443 1.00 0.00 C ATOM 281 CG2 ILE A 19 -2.389 -0.466 5.448 1.00 0.00 C ATOM 282 CD1 ILE A 19 -2.958 2.241 4.191 1.00 0.00 C ATOM 0 H ILE A 19 -0.592 -0.737 2.135 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.467 -2.391 3.654 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.921 -0.337 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.296 1.110 3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.676 1.123 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.783 0.356 6.045 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.766 -1.411 5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.300 -0.461 5.498 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.597 3.165 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.046 2.212 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.644 2.199 5.234 1.00 0.00 H new ATOM 294 N CYS A 20 -4.239 -1.937 1.778 1.00 0.00 N ATOM 295 CA CYS A 20 -5.032 -1.981 0.562 1.00 0.00 C ATOM 296 C CYS A 20 -5.636 -0.609 0.283 1.00 0.00 C ATOM 297 O CYS A 20 -6.379 -0.067 1.100 1.00 0.00 O ATOM 298 CB CYS A 20 -6.133 -3.035 0.695 1.00 0.00 C ATOM 299 SG CYS A 20 -6.907 -3.513 -0.883 1.00 0.00 S ATOM 0 H CYS A 20 -4.709 -2.312 2.602 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.389 -2.253 -0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.713 -3.925 1.165 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.905 -2.655 1.364 1.00 0.00 H new ATOM 304 N ARG A 21 -5.307 -0.038 -0.867 1.00 0.00 N ATOM 305 CA ARG A 21 -5.824 1.274 -1.232 1.00 0.00 C ATOM 306 C ARG A 21 -7.233 1.152 -1.803 1.00 0.00 C ATOM 307 O ARG A 21 -7.684 0.059 -2.135 1.00 0.00 O ATOM 308 CB ARG A 21 -4.908 1.970 -2.240 1.00 0.00 C ATOM 309 CG ARG A 21 -3.426 1.827 -1.929 1.00 0.00 C ATOM 310 CD ARG A 21 -3.065 2.358 -0.546 1.00 0.00 C ATOM 311 NE ARG A 21 -3.085 3.821 -0.478 1.00 0.00 N ATOM 312 CZ ARG A 21 -2.435 4.529 0.453 1.00 0.00 C ATOM 313 NH1 ARG A 21 -1.667 3.911 1.347 1.00 0.00 N ATOM 314 NH2 ARG A 21 -2.541 5.856 0.480 1.00 0.00 N ATOM 0 H ARG A 21 -4.688 -0.459 -1.560 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.859 1.881 -0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.102 1.563 -3.233 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.161 3.030 -2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.144 0.776 -1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.847 2.361 -2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.764 1.955 0.187 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.073 1.999 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.624 4.328 -1.179 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.573 2.896 1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.172 4.453 2.056 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.119 6.336 -0.210 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.044 6.393 1.191 1.00 0.00 H new ATOM 328 N GLY A 22 -7.919 2.287 -1.915 1.00 0.00 N ATOM 329 CA GLY A 22 -9.277 2.308 -2.443 1.00 0.00 C ATOM 330 C GLY A 22 -9.382 1.763 -3.857 1.00 0.00 C ATOM 331 O GLY A 22 -10.444 1.307 -4.272 1.00 0.00 O ATOM 0 H GLY A 22 -7.556 3.202 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.923 1.724 -1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.649 3.332 -2.428 1.00 0.00 H new ATOM 335 N ASN A 23 -8.281 1.815 -4.599 1.00 0.00 N ATOM 336 CA ASN A 23 -8.255 1.321 -5.975 1.00 0.00 C ATOM 337 C ASN A 23 -8.171 -0.204 -6.028 1.00 0.00 C ATOM 338 O ASN A 23 -8.240 -0.796 -7.104 1.00 0.00 O ATOM 339 CB ASN A 23 -7.088 1.937 -6.762 1.00 0.00 C ATOM 340 CG ASN A 23 -5.777 1.934 -5.995 1.00 0.00 C ATOM 341 OD1 ASN A 23 -5.411 0.953 -5.354 1.00 0.00 O ATOM 342 ND2 ASN A 23 -5.051 3.040 -6.065 1.00 0.00 N ATOM 0 H ASN A 23 -7.393 2.194 -4.272 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.193 1.626 -6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.957 1.387 -7.694 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.341 2.963 -7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.157 3.095 -5.577 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.386 3.836 -6.607 1.00 0.00 H new ATOM 349 N GLY A 24 -8.025 -0.831 -4.867 1.00 0.00 N ATOM 350 CA GLY A 24 -7.939 -2.277 -4.805 1.00 0.00 C ATOM 351 C GLY A 24 -6.541 -2.792 -5.087 1.00 0.00 C ATOM 352 O GLY A 24 -6.369 -3.903 -5.596 1.00 0.00 O ATOM 0 H GLY A 24 -7.964 -0.361 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.254 -2.614 -3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.633 -2.710 -5.525 1.00 0.00 H new ATOM 356 N TYR A 25 -5.541 -1.993 -4.736 1.00 0.00 N ATOM 357 CA TYR A 25 -4.147 -2.369 -4.927 1.00 0.00 C ATOM 358 C TYR A 25 -3.338 -2.024 -3.688 1.00 0.00 C ATOM 359 O TYR A 25 -3.766 -1.225 -2.851 1.00 0.00 O ATOM 360 CB TYR A 25 -3.514 -1.682 -6.142 1.00 0.00 C ATOM 361 CG TYR A 25 -4.048 -2.149 -7.481 1.00 0.00 C ATOM 362 CD1 TYR A 25 -5.285 -1.728 -7.952 1.00 0.00 C ATOM 363 CD2 TYR A 25 -3.308 -3.019 -8.271 1.00 0.00 C ATOM 364 CE1 TYR A 25 -5.770 -2.162 -9.171 1.00 0.00 C ATOM 365 CE2 TYR A 25 -3.785 -3.456 -9.491 1.00 0.00 C ATOM 366 CZ TYR A 25 -5.016 -3.025 -9.936 1.00 0.00 C ATOM 367 OH TYR A 25 -5.494 -3.460 -11.151 1.00 0.00 O ATOM 0 H TYR A 25 -5.672 -1.074 -4.314 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.134 -3.444 -5.104 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.672 -0.607 -6.058 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.437 -1.849 -6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.878 -1.050 -7.356 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.343 -3.360 -7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.735 -1.827 -9.522 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.196 -4.132 -10.093 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.840 -4.062 -11.563 1.00 0.00 H new ATOM 377 N CYS A 26 -2.176 -2.637 -3.578 1.00 0.00 N ATOM 378 CA CYS A 26 -1.291 -2.418 -2.444 1.00 0.00 C ATOM 379 C CYS A 26 -0.702 -1.014 -2.444 1.00 0.00 C ATOM 380 O CYS A 26 -0.243 -0.512 -3.472 1.00 0.00 O ATOM 381 CB CYS A 26 -0.142 -3.424 -2.446 1.00 0.00 C ATOM 382 SG CYS A 26 -0.615 -5.141 -2.082 1.00 0.00 S ATOM 0 H CYS A 26 -1.817 -3.298 -4.267 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.900 -2.547 -1.549 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.342 -3.397 -3.422 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.600 -3.105 -1.714 1.00 0.00 H new ATOM 387 N GLY A 27 -0.693 -0.403 -1.274 1.00 0.00 N ATOM 388 CA GLY A 27 -0.134 0.918 -1.126 1.00 0.00 C ATOM 389 C GLY A 27 0.634 1.019 0.167 1.00 0.00 C ATOM 390 O GLY A 27 0.183 0.499 1.183 1.00 0.00 O ATOM 0 H GLY A 27 -1.068 -0.805 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.525 1.138 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.931 1.662 -1.143 1.00 0.00 H new ATOM 394 N SER A 28 1.796 1.653 0.121 1.00 0.00 N ATOM 395 CA SER A 28 2.655 1.799 1.288 1.00 0.00 C ATOM 396 C SER A 28 1.881 2.233 2.534 1.00 0.00 C ATOM 397 O SER A 28 1.122 3.208 2.508 1.00 0.00 O ATOM 398 CB SER A 28 3.750 2.816 0.982 1.00 0.00 C ATOM 399 OG SER A 28 4.438 2.485 -0.211 1.00 0.00 O ATOM 0 H SER A 28 2.171 2.081 -0.726 1.00 0.00 H new ATOM 0 HA SER A 28 3.089 0.823 1.503 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.311 3.809 0.888 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.455 2.856 1.812 1.00 0.00 H new ATOM 0 HG SER A 28 5.133 3.154 -0.384 1.00 0.00 H new