USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 502 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 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -19:sc= -3.5! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -2.86! C(o=-6!,f=-2.9!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.013 USER MOD Single : A 55 GLN : amide:sc= -3.87! C(o=-3.9!,f=-13!) USER MOD Single : A 56 SER OG : rot 108:sc= -0.108 USER MOD Single : A 58 GLN : amide:sc= -0.352 K(o=-0.35,f=-2.6!) USER MOD Single : A 59 LYS NZ :NH3+ -138:sc= -0.347 (180deg=-3.08!) USER MOD Single : A 63 SER OG : rot -67:sc= 0.0283 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -0:sc= -3.89! USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 5.552 -11.187 -14.645 1.00 0.00 N ATOM 146 CA CYS A 10 6.729 -10.567 -14.047 1.00 0.00 C ATOM 147 C CYS A 10 7.518 -9.677 -15.013 1.00 0.00 C ATOM 148 O CYS A 10 8.714 -9.890 -15.215 1.00 0.00 O ATOM 149 CB CYS A 10 7.639 -11.650 -13.453 1.00 0.00 C ATOM 150 SG CYS A 10 8.573 -12.646 -14.673 1.00 0.00 S ATOM 0 HA CYS A 10 6.367 -9.905 -13.261 1.00 0.00 H new ATOM 0 HB2 CYS A 10 8.350 -11.173 -12.778 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.029 -12.323 -12.850 1.00 0.00 H new ATOM 155 N LEU A 11 6.878 -8.641 -15.563 1.00 0.00 N ATOM 156 CA LEU A 11 7.588 -7.712 -16.445 1.00 0.00 C ATOM 157 C LEU A 11 7.490 -6.286 -15.894 1.00 0.00 C ATOM 158 O LEU A 11 6.579 -5.532 -16.245 1.00 0.00 O ATOM 159 CB LEU A 11 6.989 -7.769 -17.859 1.00 0.00 C ATOM 160 CG LEU A 11 7.909 -8.347 -18.933 1.00 0.00 C ATOM 161 CD1 LEU A 11 8.239 -9.798 -18.622 1.00 0.00 C ATOM 162 CD2 LEU A 11 7.272 -8.225 -20.310 1.00 0.00 C ATOM 0 H LEU A 11 5.891 -8.427 -15.418 1.00 0.00 H new ATOM 0 HA LEU A 11 8.638 -8.002 -16.492 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.077 -8.365 -17.826 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.701 -6.760 -18.155 1.00 0.00 H new ATOM 0 HG LEU A 11 8.837 -7.775 -18.936 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.895 -10.196 -19.396 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.740 -9.858 -17.656 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.319 -10.382 -18.591 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.944 -8.643 -21.060 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.328 -8.771 -20.324 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.087 -7.174 -20.533 1.00 0.00 H new ATOM 174 N PRO A 12 8.432 -5.893 -15.008 1.00 0.00 N ATOM 175 CA PRO A 12 8.436 -4.573 -14.394 1.00 0.00 C ATOM 176 C PRO A 12 9.033 -3.466 -15.246 1.00 0.00 C ATOM 177 O PRO A 12 9.729 -3.702 -16.235 1.00 0.00 O ATOM 178 CB PRO A 12 9.313 -4.726 -13.155 1.00 0.00 C ATOM 179 CG PRO A 12 9.772 -6.139 -13.127 1.00 0.00 C ATOM 180 CD PRO A 12 9.533 -6.715 -14.502 1.00 0.00 C ATOM 0 HA PRO A 12 7.403 -4.275 -14.212 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.162 -4.044 -13.196 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.753 -4.483 -12.252 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.829 -6.195 -12.865 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.226 -6.706 -12.373 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.419 -6.638 -15.133 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.263 -7.770 -14.458 1.00 0.00 H new ATOM 188 N CYS A 13 8.750 -2.249 -14.811 1.00 0.00 N ATOM 189 CA CYS A 13 9.211 -1.053 -15.456 1.00 0.00 C ATOM 190 C CYS A 13 9.799 -0.089 -14.439 1.00 0.00 C ATOM 191 O CYS A 13 10.086 -0.463 -13.301 1.00 0.00 O ATOM 192 CB CYS A 13 8.036 -0.398 -16.186 1.00 0.00 C ATOM 193 SG CYS A 13 8.506 0.804 -17.461 1.00 0.00 S ATOM 0 H CYS A 13 8.182 -2.073 -13.983 1.00 0.00 H new ATOM 0 HA CYS A 13 9.993 -1.308 -16.171 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.433 -1.179 -16.648 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.403 0.101 -15.452 1.00 0.00 H new ATOM 198 N GLY A 14 9.965 1.151 -14.857 1.00 0.00 N ATOM 199 CA GLY A 14 10.498 2.163 -13.976 1.00 0.00 C ATOM 200 C GLY A 14 11.854 1.801 -13.412 1.00 0.00 C ATOM 201 O GLY A 14 12.660 1.136 -14.069 1.00 0.00 O ATOM 0 H GLY A 14 9.739 1.477 -15.797 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.576 3.105 -14.519 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.800 2.326 -13.154 1.00 0.00 H new ATOM 205 N PRO A 15 12.133 2.256 -12.186 1.00 0.00 N ATOM 206 CA PRO A 15 13.403 2.019 -11.501 1.00 0.00 C ATOM 207 C PRO A 15 13.435 0.687 -10.744 1.00 0.00 C ATOM 208 O PRO A 15 12.858 0.563 -9.664 1.00 0.00 O ATOM 209 CB PRO A 15 13.427 3.205 -10.542 1.00 0.00 C ATOM 210 CG PRO A 15 12.013 3.309 -10.111 1.00 0.00 C ATOM 211 CD PRO A 15 11.222 3.083 -11.371 1.00 0.00 C ATOM 0 HA PRO A 15 14.258 1.947 -12.173 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.095 3.029 -9.699 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.768 4.116 -11.034 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.773 2.565 -9.352 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.800 4.286 -9.678 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.281 2.571 -11.171 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.975 4.022 -11.867 1.00 0.00 H new ATOM 219 N GLY A 16 14.116 -0.305 -11.324 1.00 0.00 N ATOM 220 CA GLY A 16 14.215 -1.617 -10.696 1.00 0.00 C ATOM 221 C GLY A 16 13.136 -2.567 -11.176 1.00 0.00 C ATOM 222 O GLY A 16 13.397 -3.496 -11.936 1.00 0.00 O ATOM 0 H GLY A 16 14.601 -0.223 -12.218 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.194 -2.046 -10.908 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.143 -1.506 -9.614 1.00 0.00 H new ATOM 226 N GLY A 17 11.915 -2.309 -10.743 1.00 0.00 N ATOM 227 CA GLY A 17 10.777 -3.106 -11.139 1.00 0.00 C ATOM 228 C GLY A 17 9.506 -2.605 -10.508 1.00 0.00 C ATOM 229 O GLY A 17 8.614 -3.377 -10.142 1.00 0.00 O ATOM 0 H GLY A 17 11.689 -1.543 -10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.678 -3.086 -12.224 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.942 -4.145 -10.853 1.00 0.00 H new ATOM 233 N LYS A 18 9.462 -1.296 -10.356 1.00 0.00 N ATOM 234 CA LYS A 18 8.364 -0.618 -9.734 1.00 0.00 C ATOM 235 C LYS A 18 7.140 -0.814 -10.574 1.00 0.00 C ATOM 236 O LYS A 18 6.161 -1.421 -10.143 1.00 0.00 O ATOM 237 CB LYS A 18 8.718 0.863 -9.649 1.00 0.00 C ATOM 238 CG LYS A 18 9.147 1.348 -8.280 1.00 0.00 C ATOM 239 CD LYS A 18 9.879 0.263 -7.534 1.00 0.00 C ATOM 240 CE LYS A 18 10.359 0.734 -6.167 1.00 0.00 C ATOM 241 NZ LYS A 18 9.405 0.359 -5.087 1.00 0.00 N ATOM 0 H LYS A 18 10.205 -0.672 -10.670 1.00 0.00 H new ATOM 0 HA LYS A 18 8.171 -1.008 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.520 1.069 -10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.854 1.445 -9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.790 2.222 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.273 1.662 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.223 -0.598 -7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.733 -0.069 -8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.336 0.300 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.487 1.816 -6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.766 0.697 -4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.479 0.794 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.302 -0.676 -5.058 1.00 0.00 H new ATOM 255 N GLY A 19 7.218 -0.332 -11.781 1.00 0.00 N ATOM 256 CA GLY A 19 6.130 -0.488 -12.690 1.00 0.00 C ATOM 257 C GLY A 19 6.247 -1.731 -13.528 1.00 0.00 C ATOM 258 O GLY A 19 6.871 -2.714 -13.139 1.00 0.00 O ATOM 0 H GLY A 19 8.024 0.171 -12.154 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.196 -0.519 -12.130 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.081 0.383 -13.344 1.00 0.00 H new ATOM 262 N ARG A 20 5.654 -1.633 -14.694 1.00 0.00 N ATOM 263 CA ARG A 20 5.650 -2.687 -15.671 1.00 0.00 C ATOM 264 C ARG A 20 5.210 -2.124 -17.017 1.00 0.00 C ATOM 265 O ARG A 20 4.934 -0.937 -17.117 1.00 0.00 O ATOM 266 CB ARG A 20 4.738 -3.805 -15.205 1.00 0.00 C ATOM 267 CG ARG A 20 3.295 -3.418 -15.200 1.00 0.00 C ATOM 268 CD ARG A 20 2.438 -4.474 -15.869 1.00 0.00 C ATOM 269 NE ARG A 20 1.706 -5.277 -14.896 1.00 0.00 N ATOM 270 CZ ARG A 20 0.386 -5.367 -14.858 1.00 0.00 C ATOM 271 NH1 ARG A 20 -0.357 -4.697 -15.722 1.00 0.00 N ATOM 272 NH2 ARG A 20 -0.200 -6.132 -13.944 1.00 0.00 N ATOM 0 H ARG A 20 5.150 -0.798 -14.993 1.00 0.00 H new ATOM 0 HA ARG A 20 6.652 -3.100 -15.788 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.874 -4.671 -15.853 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.030 -4.110 -14.200 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.959 -3.271 -14.173 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.170 -2.466 -15.715 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.733 -3.993 -16.547 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.070 -5.124 -16.475 1.00 0.00 H new ATOM 0 HE ARG A 20 2.243 -5.800 -14.204 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.086 -4.105 -16.425 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.374 -4.772 -15.686 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.367 -6.649 -13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.217 -6.202 -13.914 1.00 0.00 H new ATOM 286 N CYS A 21 5.124 -2.969 -18.033 1.00 0.00 N ATOM 287 CA CYS A 21 4.690 -2.518 -19.361 1.00 0.00 C ATOM 288 C CYS A 21 3.297 -3.048 -19.669 1.00 0.00 C ATOM 289 O CYS A 21 3.008 -4.213 -19.407 1.00 0.00 O ATOM 290 CB CYS A 21 5.654 -2.991 -20.440 1.00 0.00 C ATOM 291 SG CYS A 21 6.531 -1.645 -21.308 1.00 0.00 S ATOM 0 H CYS A 21 5.345 -3.963 -17.972 1.00 0.00 H new ATOM 0 HA CYS A 21 4.675 -1.428 -19.354 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.390 -3.655 -19.987 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.101 -3.580 -21.172 1.00 0.00 H new ATOM 296 N PHE A 22 2.432 -2.202 -20.224 1.00 0.00 N ATOM 297 CA PHE A 22 1.070 -2.628 -20.556 1.00 0.00 C ATOM 298 C PHE A 22 0.892 -2.773 -22.072 1.00 0.00 C ATOM 299 O PHE A 22 -0.189 -3.107 -22.550 1.00 0.00 O ATOM 300 CB PHE A 22 0.048 -1.653 -19.965 1.00 0.00 C ATOM 301 CG PHE A 22 -0.012 -1.677 -18.468 1.00 0.00 C ATOM 302 CD1 PHE A 22 1.142 -1.731 -17.708 1.00 0.00 C ATOM 303 CD2 PHE A 22 -1.225 -1.640 -17.820 1.00 0.00 C ATOM 304 CE1 PHE A 22 1.075 -1.748 -16.333 1.00 0.00 C ATOM 305 CE2 PHE A 22 -1.288 -1.662 -16.457 1.00 0.00 C ATOM 306 CZ PHE A 22 -0.136 -1.717 -15.704 1.00 0.00 C ATOM 0 H PHE A 22 2.643 -1.230 -20.452 1.00 0.00 H new ATOM 0 HA PHE A 22 0.898 -3.609 -20.113 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.291 -0.643 -20.294 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.939 -1.889 -20.363 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.104 -1.760 -18.197 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.137 -1.593 -18.396 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.983 -1.786 -15.750 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.249 -1.636 -15.965 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.190 -1.735 -14.626 1.00 0.00 H new ATOM 316 N GLY A 23 1.986 -2.587 -22.809 1.00 0.00 N ATOM 317 CA GLY A 23 1.931 -2.789 -24.249 1.00 0.00 C ATOM 318 C GLY A 23 2.437 -1.675 -25.159 1.00 0.00 C ATOM 319 O GLY A 23 3.446 -1.858 -25.836 1.00 0.00 O ATOM 0 H GLY A 23 2.895 -2.305 -22.443 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.500 -3.690 -24.480 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.894 -2.990 -24.516 1.00 0.00 H new ATOM 323 N PRO A 24 1.724 -0.538 -25.289 1.00 0.00 N ATOM 324 CA PRO A 24 2.110 0.515 -26.227 1.00 0.00 C ATOM 325 C PRO A 24 2.842 1.690 -25.603 1.00 0.00 C ATOM 326 O PRO A 24 2.215 2.621 -25.091 1.00 0.00 O ATOM 327 CB PRO A 24 0.747 0.952 -26.737 1.00 0.00 C ATOM 328 CG PRO A 24 -0.151 0.841 -25.549 1.00 0.00 C ATOM 329 CD PRO A 24 0.449 -0.199 -24.625 1.00 0.00 C ATOM 0 HA PRO A 24 2.818 0.159 -26.975 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.775 1.972 -27.119 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.406 0.315 -27.553 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.237 1.802 -25.041 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.156 0.550 -25.853 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.609 0.197 -23.622 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.198 -1.071 -24.524 1.00 0.00 H new ATOM 337 N SER A 25 4.174 1.654 -25.644 1.00 0.00 N ATOM 338 CA SER A 25 4.973 2.738 -25.075 1.00 0.00 C ATOM 339 C SER A 25 4.569 3.007 -23.638 1.00 0.00 C ATOM 340 O SER A 25 4.947 4.020 -23.059 1.00 0.00 O ATOM 341 CB SER A 25 4.742 4.019 -25.874 1.00 0.00 C ATOM 342 OG SER A 25 5.886 4.850 -25.847 1.00 0.00 O ATOM 0 H SER A 25 4.716 0.897 -26.060 1.00 0.00 H new ATOM 0 HA SER A 25 6.021 2.440 -25.113 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.495 3.768 -26.906 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.888 4.558 -25.464 1.00 0.00 H new ATOM 0 HG SER A 25 6.460 4.592 -25.096 1.00 0.00 H new ATOM 348 N ILE A 26 3.751 2.127 -23.090 1.00 0.00 N ATOM 349 CA ILE A 26 3.230 2.318 -21.767 1.00 0.00 C ATOM 350 C ILE A 26 3.938 1.517 -20.700 1.00 0.00 C ATOM 351 O ILE A 26 4.529 0.457 -20.942 1.00 0.00 O ATOM 352 CB ILE A 26 1.736 1.998 -21.760 1.00 0.00 C ATOM 353 CG1 ILE A 26 0.960 2.971 -20.909 1.00 0.00 C ATOM 354 CG2 ILE A 26 1.481 0.613 -21.260 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.521 2.913 -21.224 1.00 0.00 C ATOM 0 H ILE A 26 3.438 1.273 -23.550 1.00 0.00 H new ATOM 0 HA ILE A 26 3.405 3.364 -21.514 1.00 0.00 H new ATOM 0 HB ILE A 26 1.398 2.081 -22.793 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.120 2.744 -19.855 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.331 3.982 -21.077 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.409 0.415 -21.267 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.987 -0.106 -21.905 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.861 0.518 -20.243 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.055 3.625 -20.595 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.680 3.164 -22.273 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.895 1.907 -21.031 1.00 0.00 H new ATOM 367 N CYS A 27 3.838 2.074 -19.514 1.00 0.00 N ATOM 368 CA CYS A 27 4.413 1.532 -18.326 1.00 0.00 C ATOM 369 C CYS A 27 3.654 2.090 -17.135 1.00 0.00 C ATOM 370 O CYS A 27 3.191 3.233 -17.177 1.00 0.00 O ATOM 371 CB CYS A 27 5.851 1.939 -18.281 1.00 0.00 C ATOM 372 SG CYS A 27 7.007 0.631 -18.802 1.00 0.00 S ATOM 0 H CYS A 27 3.334 2.947 -19.356 1.00 0.00 H new ATOM 0 HA CYS A 27 4.350 0.444 -18.307 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.992 2.810 -18.921 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.100 2.246 -17.265 1.00 0.00 H new ATOM 377 N CYS A 28 3.501 1.302 -16.096 1.00 0.00 N ATOM 378 CA CYS A 28 2.772 1.751 -14.938 1.00 0.00 C ATOM 379 C CYS A 28 3.387 1.222 -13.665 1.00 0.00 C ATOM 380 O CYS A 28 3.416 0.014 -13.436 1.00 0.00 O ATOM 381 CB CYS A 28 1.317 1.305 -15.039 1.00 0.00 C ATOM 382 SG CYS A 28 0.161 2.289 -14.040 1.00 0.00 S ATOM 0 H CYS A 28 3.870 0.353 -16.031 1.00 0.00 H new ATOM 0 HA CYS A 28 2.818 2.840 -14.907 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.007 1.351 -16.083 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.247 0.262 -14.732 1.00 0.00 H new ATOM 387 N GLY A 29 3.872 2.121 -12.829 1.00 0.00 N ATOM 388 CA GLY A 29 4.456 1.707 -11.593 1.00 0.00 C ATOM 389 C GLY A 29 3.543 1.970 -10.419 1.00 0.00 C ATOM 390 O GLY A 29 2.576 2.717 -10.550 1.00 0.00 O ATOM 0 H GLY A 29 3.868 3.128 -12.991 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.688 0.643 -11.640 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.399 2.233 -11.444 1.00 0.00 H new ATOM 394 N ASP A 30 3.830 1.366 -9.270 1.00 0.00 N ATOM 395 CA ASP A 30 2.995 1.566 -8.094 1.00 0.00 C ATOM 396 C ASP A 30 3.234 2.970 -7.558 1.00 0.00 C ATOM 397 O ASP A 30 2.497 3.902 -7.887 1.00 0.00 O ATOM 398 CB ASP A 30 3.309 0.516 -7.024 1.00 0.00 C ATOM 399 CG ASP A 30 2.371 0.601 -5.835 1.00 0.00 C ATOM 400 OD1 ASP A 30 2.195 1.715 -5.298 1.00 0.00 O ATOM 401 OD2 ASP A 30 1.814 -0.444 -5.442 1.00 0.00 O ATOM 0 H ASP A 30 4.624 0.742 -9.130 1.00 0.00 H new ATOM 0 HA ASP A 30 1.946 1.454 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.243 -0.479 -7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.336 0.645 -6.683 1.00 0.00 H new ATOM 406 N GLU A 31 4.312 3.137 -6.804 1.00 0.00 N ATOM 407 CA GLU A 31 4.705 4.445 -6.300 1.00 0.00 C ATOM 408 C GLU A 31 5.265 5.270 -7.454 1.00 0.00 C ATOM 409 O GLU A 31 5.916 6.291 -7.262 1.00 0.00 O ATOM 410 CB GLU A 31 5.801 4.260 -5.254 1.00 0.00 C ATOM 411 CG GLU A 31 7.028 3.542 -5.806 1.00 0.00 C ATOM 412 CD GLU A 31 8.325 4.245 -5.458 1.00 0.00 C ATOM 413 OE1 GLU A 31 8.821 4.050 -4.329 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.846 4.992 -6.315 1.00 0.00 O ATOM 0 H GLU A 31 4.933 2.377 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 31 3.845 4.950 -5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.099 5.236 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.402 3.694 -4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.055 2.525 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.941 3.465 -6.890 1.00 0.00 H new ATOM 421 N LEU A 32 5.073 4.732 -8.642 1.00 0.00 N ATOM 422 CA LEU A 32 5.597 5.266 -9.867 1.00 0.00 C ATOM 423 C LEU A 32 4.520 5.904 -10.746 1.00 0.00 C ATOM 424 O LEU A 32 4.822 6.665 -11.667 1.00 0.00 O ATOM 425 CB LEU A 32 6.170 4.058 -10.552 1.00 0.00 C ATOM 426 CG LEU A 32 7.590 4.089 -11.039 1.00 0.00 C ATOM 427 CD1 LEU A 32 7.694 3.095 -12.169 1.00 0.00 C ATOM 428 CD2 LEU A 32 8.036 5.466 -11.479 1.00 0.00 C ATOM 0 H LEU A 32 4.527 3.881 -8.777 1.00 0.00 H new ATOM 0 HA LEU A 32 6.318 6.062 -9.681 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.079 3.218 -9.863 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.535 3.837 -11.410 1.00 0.00 H new ATOM 0 HG LEU A 32 8.257 3.825 -10.219 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.714 3.086 -12.553 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.435 2.101 -11.804 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.008 3.379 -12.967 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.070 5.422 -11.820 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.400 5.811 -12.294 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.959 6.158 -10.641 1.00 0.00 H new ATOM 440 N GLY A 33 3.273 5.575 -10.460 1.00 0.00 N ATOM 441 CA GLY A 33 2.176 6.108 -11.229 1.00 0.00 C ATOM 442 C GLY A 33 1.928 5.325 -12.492 1.00 0.00 C ATOM 443 O GLY A 33 2.304 4.159 -12.593 1.00 0.00 O ATOM 0 H GLY A 33 3.001 4.945 -9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.273 6.105 -10.619 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.385 7.147 -11.484 1.00 0.00 H new ATOM 447 N CYS A 34 1.332 5.975 -13.475 1.00 0.00 N ATOM 448 CA CYS A 34 1.067 5.331 -14.744 1.00 0.00 C ATOM 449 C CYS A 34 1.608 6.154 -15.899 1.00 0.00 C ATOM 450 O CYS A 34 1.077 7.216 -16.215 1.00 0.00 O ATOM 451 CB CYS A 34 -0.428 5.105 -14.923 1.00 0.00 C ATOM 452 SG CYS A 34 -0.826 3.410 -15.414 1.00 0.00 S ATOM 0 H CYS A 34 1.024 6.946 -13.417 1.00 0.00 H new ATOM 0 HA CYS A 34 1.576 4.367 -14.742 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.941 5.338 -13.990 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.808 5.795 -15.676 1.00 0.00 H new ATOM 457 N PHE A 35 2.669 5.654 -16.526 1.00 0.00 N ATOM 458 CA PHE A 35 3.291 6.353 -17.650 1.00 0.00 C ATOM 459 C PHE A 35 2.817 5.803 -18.982 1.00 0.00 C ATOM 460 O PHE A 35 2.548 4.605 -19.116 1.00 0.00 O ATOM 461 CB PHE A 35 4.812 6.212 -17.611 1.00 0.00 C ATOM 462 CG PHE A 35 5.421 6.410 -16.262 1.00 0.00 C ATOM 463 CD1 PHE A 35 5.353 5.409 -15.311 1.00 0.00 C ATOM 464 CD2 PHE A 35 6.070 7.593 -15.947 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.917 5.586 -14.070 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.634 7.774 -14.706 1.00 0.00 C ATOM 467 CZ PHE A 35 6.556 6.776 -13.771 1.00 0.00 C ATOM 0 H PHE A 35 3.116 4.771 -16.277 1.00 0.00 H new ATOM 0 HA PHE A 35 3.002 7.400 -17.556 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.081 5.220 -17.974 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.248 6.934 -18.301 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.853 4.481 -15.545 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.134 8.381 -16.683 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.862 4.800 -13.332 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.137 8.700 -14.469 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.996 6.919 -12.795 1.00 0.00 H new ATOM 477 N VAL A 36 2.767 6.676 -19.977 1.00 0.00 N ATOM 478 CA VAL A 36 2.386 6.280 -21.318 1.00 0.00 C ATOM 479 C VAL A 36 3.210 7.058 -22.322 1.00 0.00 C ATOM 480 O VAL A 36 3.129 8.282 -22.397 1.00 0.00 O ATOM 481 CB VAL A 36 0.889 6.471 -21.623 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.490 5.591 -22.804 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.033 6.164 -20.398 1.00 0.00 C ATOM 0 H VAL A 36 2.987 7.667 -19.877 1.00 0.00 H new ATOM 0 HA VAL A 36 2.580 5.210 -21.393 1.00 0.00 H new ATOM 0 HB VAL A 36 0.716 7.515 -21.886 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.570 5.728 -23.018 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.076 5.870 -23.680 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.679 4.546 -22.559 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.019 6.308 -20.644 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.196 5.131 -20.090 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.310 6.834 -19.584 1.00 0.00 H new ATOM 493 N GLY A 37 4.017 6.335 -23.072 1.00 0.00 N ATOM 494 CA GLY A 37 4.876 6.968 -24.050 1.00 0.00 C ATOM 495 C GLY A 37 5.873 7.912 -23.401 1.00 0.00 C ATOM 496 O GLY A 37 6.078 9.029 -23.869 1.00 0.00 O ATOM 0 H GLY A 37 4.096 5.319 -23.024 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.413 6.203 -24.611 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.266 7.520 -24.766 1.00 0.00 H new ATOM 500 N THR A 38 6.483 7.454 -22.307 1.00 0.00 N ATOM 501 CA THR A 38 7.459 8.255 -21.565 1.00 0.00 C ATOM 502 C THR A 38 8.707 7.427 -21.235 1.00 0.00 C ATOM 503 O THR A 38 8.710 6.208 -21.406 1.00 0.00 O ATOM 504 CB THR A 38 6.813 8.763 -20.267 1.00 0.00 C ATOM 505 OG1 THR A 38 5.649 9.526 -20.552 1.00 0.00 O ATOM 506 CG2 THR A 38 7.726 9.615 -19.404 1.00 0.00 C ATOM 0 H THR A 38 6.318 6.528 -21.913 1.00 0.00 H new ATOM 0 HA THR A 38 7.764 9.099 -22.183 1.00 0.00 H new ATOM 0 HB THR A 38 6.575 7.860 -19.706 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.250 9.840 -19.714 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.190 9.931 -18.509 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.602 9.033 -19.116 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.043 10.494 -19.966 1.00 0.00 H new ATOM 514 N ALA A 39 9.757 8.088 -20.738 1.00 0.00 N ATOM 515 CA ALA A 39 10.991 7.403 -20.357 1.00 0.00 C ATOM 516 C ALA A 39 10.686 6.255 -19.398 1.00 0.00 C ATOM 517 O ALA A 39 11.153 5.136 -19.567 1.00 0.00 O ATOM 518 CB ALA A 39 11.963 8.387 -19.720 1.00 0.00 C ATOM 0 H ALA A 39 9.775 9.097 -20.591 1.00 0.00 H new ATOM 0 HA ALA A 39 11.453 6.989 -21.253 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.878 7.865 -19.440 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.199 9.178 -20.432 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.508 8.824 -18.831 1.00 0.00 H new ATOM 524 N GLU A 40 9.870 6.550 -18.402 1.00 0.00 N ATOM 525 CA GLU A 40 9.444 5.567 -17.414 1.00 0.00 C ATOM 526 C GLU A 40 8.574 4.478 -18.055 1.00 0.00 C ATOM 527 O GLU A 40 7.902 3.722 -17.346 1.00 0.00 O ATOM 528 CB GLU A 40 8.696 6.245 -16.267 1.00 0.00 C ATOM 529 CG GLU A 40 9.493 6.285 -14.971 1.00 0.00 C ATOM 530 CD GLU A 40 10.159 7.627 -14.736 1.00 0.00 C ATOM 531 OE1 GLU A 40 9.439 8.647 -14.689 1.00 0.00 O ATOM 532 OE2 GLU A 40 11.400 7.656 -14.599 1.00 0.00 O ATOM 0 H GLU A 40 9.481 7.481 -18.252 1.00 0.00 H new ATOM 0 HA GLU A 40 10.337 5.090 -17.011 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.441 7.263 -16.560 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.758 5.719 -16.093 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.831 6.061 -14.135 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.254 5.505 -14.993 1.00 0.00 H new ATOM 539 N ALA A 41 8.545 4.440 -19.395 1.00 0.00 N ATOM 540 CA ALA A 41 7.723 3.492 -20.120 1.00 0.00 C ATOM 541 C ALA A 41 8.433 2.858 -21.309 1.00 0.00 C ATOM 542 O ALA A 41 7.861 2.037 -22.025 1.00 0.00 O ATOM 543 CB ALA A 41 6.500 4.200 -20.619 1.00 0.00 C ATOM 0 H ALA A 41 9.089 5.064 -19.991 1.00 0.00 H new ATOM 0 HA ALA A 41 7.477 2.688 -19.426 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.871 3.498 -21.167 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.942 4.603 -19.773 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.796 5.015 -21.280 1.00 0.00 H new ATOM 549 N LEU A 42 9.680 3.215 -21.479 1.00 0.00 N ATOM 550 CA LEU A 42 10.506 2.685 -22.539 1.00 0.00 C ATOM 551 C LEU A 42 10.742 1.183 -22.387 1.00 0.00 C ATOM 552 O LEU A 42 11.189 0.518 -23.317 1.00 0.00 O ATOM 553 CB LEU A 42 11.849 3.413 -22.549 1.00 0.00 C ATOM 554 CG LEU A 42 12.599 3.537 -21.211 1.00 0.00 C ATOM 555 CD1 LEU A 42 11.948 2.711 -20.105 1.00 0.00 C ATOM 556 CD2 LEU A 42 14.060 3.132 -21.382 1.00 0.00 C ATOM 0 H LEU A 42 10.158 3.889 -20.880 1.00 0.00 H new ATOM 0 HA LEU A 42 9.980 2.844 -23.480 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.503 2.902 -23.255 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.684 4.418 -22.937 1.00 0.00 H new ATOM 0 HG LEU A 42 12.548 4.583 -20.908 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.513 2.831 -19.181 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.924 3.052 -19.951 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.941 1.660 -20.392 1.00 0.00 H new ATOM 0 HD21 LEU A 42 14.577 3.225 -20.427 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.113 2.099 -21.725 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.534 3.783 -22.117 1.00 0.00 H new ATOM 568 N ARG A 43 10.443 0.659 -21.202 1.00 0.00 N ATOM 569 CA ARG A 43 10.632 -0.751 -20.897 1.00 0.00 C ATOM 570 C ARG A 43 10.011 -1.666 -21.939 1.00 0.00 C ATOM 571 O ARG A 43 10.310 -2.849 -21.972 1.00 0.00 O ATOM 572 CB ARG A 43 10.024 -1.062 -19.546 1.00 0.00 C ATOM 573 CG ARG A 43 10.980 -1.729 -18.582 1.00 0.00 C ATOM 574 CD ARG A 43 12.154 -0.823 -18.236 1.00 0.00 C ATOM 575 NE ARG A 43 12.384 -0.752 -16.793 1.00 0.00 N ATOM 576 CZ ARG A 43 13.428 -1.302 -16.175 1.00 0.00 C ATOM 577 NH1 ARG A 43 14.347 -1.967 -16.864 1.00 0.00 N ATOM 578 NH2 ARG A 43 13.554 -1.187 -14.859 1.00 0.00 N ATOM 0 H ARG A 43 10.063 1.202 -20.427 1.00 0.00 H new ATOM 0 HA ARG A 43 11.706 -0.935 -20.894 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.661 -0.136 -19.100 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.158 -1.708 -19.689 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.448 -1.999 -17.670 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.352 -2.655 -19.020 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.054 -1.191 -18.729 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.966 0.178 -18.623 1.00 0.00 H new ATOM 0 HE ARG A 43 11.702 -0.250 -16.224 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.257 -2.060 -17.876 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.143 -2.385 -16.382 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.852 -0.678 -14.322 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.353 -1.608 -14.384 1.00 0.00 H new ATOM 592 N CYS A 44 9.136 -1.133 -22.771 1.00 0.00 N ATOM 593 CA CYS A 44 8.491 -1.941 -23.784 1.00 0.00 C ATOM 594 C CYS A 44 9.448 -2.256 -24.932 1.00 0.00 C ATOM 595 O CYS A 44 9.209 -3.164 -25.720 1.00 0.00 O ATOM 596 CB CYS A 44 7.218 -1.268 -24.249 1.00 0.00 C ATOM 597 SG CYS A 44 5.776 -1.672 -23.202 1.00 0.00 S ATOM 0 H CYS A 44 8.858 -0.152 -22.765 1.00 0.00 H new ATOM 0 HA CYS A 44 8.213 -2.902 -23.351 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.365 -0.188 -24.255 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.010 -1.567 -25.276 1.00 0.00 H new ATOM 602 N GLN A 45 10.560 -1.527 -24.983 1.00 0.00 N ATOM 603 CA GLN A 45 11.606 -1.747 -25.968 1.00 0.00 C ATOM 604 C GLN A 45 12.213 -3.129 -25.718 1.00 0.00 C ATOM 605 O GLN A 45 12.877 -3.727 -26.566 1.00 0.00 O ATOM 606 CB GLN A 45 12.668 -0.681 -25.797 1.00 0.00 C ATOM 607 CG GLN A 45 12.472 0.527 -26.691 1.00 0.00 C ATOM 608 CD GLN A 45 11.990 1.743 -25.933 1.00 0.00 C ATOM 609 OE1 GLN A 45 12.862 2.310 -25.122 1.00 0.00 O flip ATOM 610 NE2 GLN A 45 10.842 2.166 -26.073 1.00 0.00 N flip ATOM 0 H GLN A 45 10.758 -0.763 -24.337 1.00 0.00 H new ATOM 0 HA GLN A 45 11.205 -1.696 -26.980 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.677 -0.354 -24.757 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.645 -1.119 -26.002 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.413 0.763 -27.187 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.752 0.282 -27.472 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.200 1.697 -26.711 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.533 2.986 -25.551 1.00 0.00 H new ATOM 619 N GLU A 46 11.883 -3.614 -24.537 1.00 0.00 N ATOM 620 CA GLU A 46 12.265 -4.913 -24.079 1.00 0.00 C ATOM 621 C GLU A 46 11.446 -5.927 -24.853 1.00 0.00 C ATOM 622 O GLU A 46 11.941 -6.976 -25.273 1.00 0.00 O ATOM 623 CB GLU A 46 11.984 -5.005 -22.593 1.00 0.00 C ATOM 624 CG GLU A 46 13.058 -4.364 -21.737 1.00 0.00 C ATOM 625 CD GLU A 46 12.832 -4.581 -20.259 1.00 0.00 C ATOM 626 OE1 GLU A 46 12.651 -5.746 -19.851 1.00 0.00 O ATOM 627 OE2 GLU A 46 12.839 -3.587 -19.508 1.00 0.00 O ATOM 0 H GLU A 46 11.327 -3.092 -23.860 1.00 0.00 H new ATOM 0 HA GLU A 46 13.326 -5.104 -24.239 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.028 -4.527 -22.381 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.885 -6.054 -22.314 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.030 -4.771 -22.015 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.090 -3.294 -21.942 1.00 0.00 H new ATOM 634 N GLU A 47 10.187 -5.560 -25.074 1.00 0.00 N ATOM 635 CA GLU A 47 9.260 -6.384 -25.837 1.00 0.00 C ATOM 636 C GLU A 47 9.395 -6.085 -27.322 1.00 0.00 C ATOM 637 O GLU A 47 8.446 -6.240 -28.084 1.00 0.00 O ATOM 638 CB GLU A 47 7.823 -6.129 -25.384 1.00 0.00 C ATOM 639 CG GLU A 47 7.528 -6.636 -23.983 1.00 0.00 C ATOM 640 CD GLU A 47 6.240 -6.071 -23.419 1.00 0.00 C ATOM 641 OE1 GLU A 47 5.177 -6.286 -24.039 1.00 0.00 O ATOM 642 OE2 GLU A 47 6.295 -5.414 -22.359 1.00 0.00 O ATOM 0 H GLU A 47 9.784 -4.688 -24.731 1.00 0.00 H new ATOM 0 HA GLU A 47 9.502 -7.432 -25.661 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.623 -5.058 -25.423 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.139 -6.607 -26.086 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.467 -7.724 -24.000 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.355 -6.373 -23.324 1.00 0.00 H new ATOM 649 N ASN A 48 10.583 -5.646 -27.726 1.00 0.00 N ATOM 650 CA ASN A 48 10.852 -5.320 -29.110 1.00 0.00 C ATOM 651 C ASN A 48 12.162 -5.946 -29.586 1.00 0.00 C ATOM 652 O ASN A 48 12.488 -5.873 -30.762 1.00 0.00 O ATOM 653 CB ASN A 48 10.899 -3.805 -29.298 1.00 0.00 C ATOM 654 CG ASN A 48 10.075 -3.346 -30.483 1.00 0.00 C ATOM 655 OD1 ASN A 48 10.591 -3.188 -31.587 1.00 0.00 O ATOM 656 ND2 ASN A 48 8.783 -3.137 -30.258 1.00 0.00 N ATOM 0 H ASN A 48 11.378 -5.509 -27.102 1.00 0.00 H new ATOM 0 HA ASN A 48 10.042 -5.732 -29.712 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.534 -3.318 -28.394 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.934 -3.490 -29.434 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.176 -2.832 -31.019 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.398 -3.281 -29.324 1.00 0.00 H new ATOM 663 N TYR A 49 12.911 -6.566 -28.674 1.00 0.00 N ATOM 664 CA TYR A 49 14.176 -7.200 -29.045 1.00 0.00 C ATOM 665 C TYR A 49 14.337 -8.554 -28.364 1.00 0.00 C ATOM 666 O TYR A 49 14.884 -9.488 -28.952 1.00 0.00 O ATOM 667 CB TYR A 49 15.355 -6.293 -28.696 1.00 0.00 C ATOM 668 CG TYR A 49 15.907 -5.542 -29.887 1.00 0.00 C ATOM 669 CD1 TYR A 49 16.173 -6.202 -31.081 1.00 0.00 C ATOM 670 CD2 TYR A 49 16.156 -4.178 -29.820 1.00 0.00 C ATOM 671 CE1 TYR A 49 16.672 -5.521 -32.174 1.00 0.00 C ATOM 672 CE2 TYR A 49 16.657 -3.491 -30.910 1.00 0.00 C ATOM 673 CZ TYR A 49 16.913 -4.166 -32.084 1.00 0.00 C ATOM 674 OH TYR A 49 17.411 -3.486 -33.172 1.00 0.00 O ATOM 0 H TYR A 49 12.668 -6.643 -27.686 1.00 0.00 H new ATOM 0 HA TYR A 49 14.161 -7.361 -30.123 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.040 -5.576 -27.938 1.00 0.00 H new ATOM 0 HB3 TYR A 49 16.149 -6.895 -28.255 1.00 0.00 H new ATOM 0 HD1 TYR A 49 15.987 -7.263 -31.155 1.00 0.00 H new ATOM 0 HD2 TYR A 49 15.955 -3.645 -28.902 1.00 0.00 H new ATOM 0 HE1 TYR A 49 16.873 -6.047 -33.095 1.00 0.00 H new ATOM 0 HE2 TYR A 49 16.847 -2.430 -30.842 1.00 0.00 H new ATOM 0 HH TYR A 49 17.523 -2.540 -32.943 1.00 0.00 H new ATOM 684 N LEU A 50 13.861 -8.659 -27.131 1.00 0.00 N ATOM 685 CA LEU A 50 13.957 -9.904 -26.383 1.00 0.00 C ATOM 686 C LEU A 50 12.580 -10.555 -26.244 1.00 0.00 C ATOM 687 O LEU A 50 11.717 -10.047 -25.529 1.00 0.00 O ATOM 688 CB LEU A 50 14.556 -9.638 -25.002 1.00 0.00 C ATOM 689 CG LEU A 50 14.776 -10.881 -24.142 1.00 0.00 C ATOM 690 CD1 LEU A 50 16.230 -11.313 -24.177 1.00 0.00 C ATOM 691 CD2 LEU A 50 14.334 -10.620 -22.718 1.00 0.00 C ATOM 0 H LEU A 50 13.405 -7.898 -26.628 1.00 0.00 H new ATOM 0 HA LEU A 50 14.608 -10.588 -26.927 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.512 -9.129 -25.129 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.900 -8.954 -24.464 1.00 0.00 H new ATOM 0 HG LEU A 50 14.173 -11.691 -24.552 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.361 -12.200 -23.557 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.517 -11.542 -25.203 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.858 -10.508 -23.796 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.497 -11.515 -22.117 1.00 0.00 H new ATOM 0 HD22 LEU A 50 14.912 -9.794 -22.303 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.275 -10.363 -22.707 1.00 0.00 H new ATOM 703 N PRO A 51 12.347 -11.693 -26.932 1.00 0.00 N ATOM 704 CA PRO A 51 11.064 -12.407 -26.880 1.00 0.00 C ATOM 705 C PRO A 51 10.485 -12.482 -25.468 1.00 0.00 C ATOM 706 O PRO A 51 11.225 -12.608 -24.494 1.00 0.00 O ATOM 707 CB PRO A 51 11.442 -13.792 -27.390 1.00 0.00 C ATOM 708 CG PRO A 51 12.487 -13.502 -28.404 1.00 0.00 C ATOM 709 CD PRO A 51 13.309 -12.381 -27.820 1.00 0.00 C ATOM 0 HA PRO A 51 10.286 -11.912 -27.461 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.822 -14.427 -26.589 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.587 -14.308 -27.828 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.102 -14.381 -28.597 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.042 -13.209 -29.355 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.170 -12.757 -27.268 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.692 -11.715 -28.594 1.00 0.00 H new ATOM 717 N SER A 52 9.159 -12.392 -25.373 1.00 0.00 N ATOM 718 CA SER A 52 8.462 -12.435 -24.085 1.00 0.00 C ATOM 719 C SER A 52 9.022 -13.514 -23.155 1.00 0.00 C ATOM 720 O SER A 52 8.644 -14.679 -23.246 1.00 0.00 O ATOM 721 CB SER A 52 6.966 -12.680 -24.308 1.00 0.00 C ATOM 722 OG SER A 52 6.450 -11.815 -25.305 1.00 0.00 O ATOM 0 H SER A 52 8.541 -12.288 -26.178 1.00 0.00 H new ATOM 0 HA SER A 52 8.618 -11.470 -23.603 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.804 -13.717 -24.603 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.426 -12.526 -23.374 1.00 0.00 H new ATOM 0 HG SER A 52 5.494 -11.993 -25.429 1.00 0.00 H new ATOM 728 N PRO A 53 9.931 -13.138 -22.236 1.00 0.00 N ATOM 729 CA PRO A 53 10.534 -14.060 -21.283 1.00 0.00 C ATOM 730 C PRO A 53 9.813 -14.017 -19.942 1.00 0.00 C ATOM 731 O PRO A 53 10.441 -14.082 -18.882 1.00 0.00 O ATOM 732 CB PRO A 53 11.936 -13.486 -21.148 1.00 0.00 C ATOM 733 CG PRO A 53 11.752 -12.008 -21.293 1.00 0.00 C ATOM 734 CD PRO A 53 10.451 -11.777 -22.031 1.00 0.00 C ATOM 0 HA PRO A 53 10.499 -15.103 -21.599 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.377 -13.738 -20.184 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.602 -13.880 -21.916 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.727 -11.528 -20.315 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.586 -11.571 -21.842 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.761 -11.166 -21.448 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.612 -11.261 -22.978 1.00 0.00 H new ATOM 742 N CYS A 54 8.486 -13.912 -20.008 1.00 0.00 N ATOM 743 CA CYS A 54 7.611 -13.867 -18.835 1.00 0.00 C ATOM 744 C CYS A 54 6.340 -13.088 -19.182 1.00 0.00 C ATOM 745 O CYS A 54 6.345 -12.272 -20.105 1.00 0.00 O ATOM 746 CB CYS A 54 8.296 -13.199 -17.645 1.00 0.00 C ATOM 747 SG CYS A 54 7.246 -13.075 -16.149 1.00 0.00 S ATOM 0 H CYS A 54 7.980 -13.855 -20.892 1.00 0.00 H new ATOM 0 HA CYS A 54 7.369 -14.893 -18.557 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.198 -13.759 -17.397 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.613 -12.198 -17.937 1.00 0.00 H new ATOM 752 N GLN A 55 5.263 -13.326 -18.446 1.00 0.00 N ATOM 753 CA GLN A 55 4.003 -12.626 -18.695 1.00 0.00 C ATOM 754 C GLN A 55 4.140 -11.141 -18.357 1.00 0.00 C ATOM 755 O GLN A 55 5.127 -10.724 -17.759 1.00 0.00 O ATOM 756 CB GLN A 55 2.890 -13.267 -17.847 1.00 0.00 C ATOM 757 CG GLN A 55 1.587 -12.484 -17.782 1.00 0.00 C ATOM 758 CD GLN A 55 0.992 -12.156 -19.135 1.00 0.00 C ATOM 759 OE1 GLN A 55 1.710 -12.053 -20.127 1.00 0.00 O ATOM 760 NE2 GLN A 55 -0.322 -11.960 -19.174 1.00 0.00 N ATOM 0 H GLN A 55 5.232 -13.994 -17.675 1.00 0.00 H new ATOM 0 HA GLN A 55 3.748 -12.711 -19.751 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.679 -14.259 -18.246 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.263 -13.404 -16.832 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.860 -13.057 -17.207 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.761 -11.555 -17.239 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.878 -12.057 -18.324 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.775 -11.713 -20.054 1.00 0.00 H new ATOM 769 N SER A 56 3.145 -10.354 -18.754 1.00 0.00 N ATOM 770 CA SER A 56 3.132 -8.929 -18.499 1.00 0.00 C ATOM 771 C SER A 56 2.056 -8.596 -17.469 1.00 0.00 C ATOM 772 O SER A 56 2.361 -8.162 -16.359 1.00 0.00 O ATOM 773 CB SER A 56 2.885 -8.155 -19.791 1.00 0.00 C ATOM 774 OG SER A 56 2.660 -6.781 -19.525 1.00 0.00 O ATOM 0 H SER A 56 2.327 -10.692 -19.261 1.00 0.00 H new ATOM 0 HA SER A 56 4.105 -8.635 -18.105 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.743 -8.265 -20.455 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.024 -8.574 -20.311 1.00 0.00 H new ATOM 0 HG SER A 56 3.439 -6.260 -19.812 1.00 0.00 H new ATOM 780 N GLY A 57 0.794 -8.820 -17.839 1.00 0.00 N ATOM 781 CA GLY A 57 -0.301 -8.555 -16.922 1.00 0.00 C ATOM 782 C GLY A 57 -1.456 -7.808 -17.553 1.00 0.00 C ATOM 783 O GLY A 57 -1.353 -6.619 -17.854 1.00 0.00 O ATOM 0 H GLY A 57 0.514 -9.178 -18.752 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.666 -9.501 -16.523 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.076 -7.978 -16.078 1.00 0.00 H new ATOM 787 N GLN A 58 -2.565 -8.514 -17.746 1.00 0.00 N ATOM 788 CA GLN A 58 -3.763 -7.936 -18.339 1.00 0.00 C ATOM 789 C GLN A 58 -4.875 -7.830 -17.298 1.00 0.00 C ATOM 790 O GLN A 58 -5.652 -8.766 -17.094 1.00 0.00 O ATOM 791 CB GLN A 58 -4.195 -8.805 -19.495 1.00 0.00 C ATOM 792 CG GLN A 58 -3.707 -8.267 -20.818 1.00 0.00 C ATOM 793 CD GLN A 58 -4.818 -7.651 -21.642 1.00 0.00 C ATOM 794 OE1 GLN A 58 -5.613 -6.855 -21.139 1.00 0.00 O ATOM 795 NE2 GLN A 58 -4.878 -8.018 -22.914 1.00 0.00 N ATOM 0 H GLN A 58 -2.658 -9.499 -17.497 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.549 -6.930 -18.699 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.813 -9.816 -19.351 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.283 -8.874 -19.510 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.935 -7.519 -20.639 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.244 -9.074 -21.385 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.198 -8.680 -23.286 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.605 -7.638 -23.521 1.00 0.00 H new ATOM 804 N LYS A 59 -4.955 -6.668 -16.661 1.00 0.00 N ATOM 805 CA LYS A 59 -5.971 -6.357 -15.666 1.00 0.00 C ATOM 806 C LYS A 59 -7.274 -5.669 -16.182 1.00 0.00 C ATOM 807 O LYS A 59 -7.768 -4.763 -15.512 1.00 0.00 O ATOM 808 CB LYS A 59 -5.310 -5.537 -14.591 1.00 0.00 C ATOM 809 CG LYS A 59 -4.622 -4.304 -15.132 1.00 0.00 C ATOM 810 CD LYS A 59 -3.138 -4.350 -14.881 1.00 0.00 C ATOM 811 CE LYS A 59 -2.736 -3.546 -13.649 1.00 0.00 C ATOM 812 NZ LYS A 59 -2.211 -4.416 -12.559 1.00 0.00 N ATOM 0 H LYS A 59 -4.302 -5.902 -16.826 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.345 -7.311 -15.295 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.059 -5.237 -13.858 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.580 -6.154 -14.067 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.809 -4.221 -16.203 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.045 -3.415 -14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.825 -5.386 -14.754 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.612 -3.962 -15.753 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.977 -2.814 -13.926 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.598 -2.988 -13.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.593 -4.097 -11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.501 -5.400 -12.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.173 -4.359 -12.539 1.00 0.00 H new ATOM 826 N PRO A 60 -7.820 -5.995 -17.362 1.00 0.00 N ATOM 827 CA PRO A 60 -9.009 -5.306 -17.893 1.00 0.00 C ATOM 828 C PRO A 60 -10.155 -5.106 -16.923 1.00 0.00 C ATOM 829 O PRO A 60 -10.500 -6.010 -16.172 1.00 0.00 O ATOM 830 CB PRO A 60 -9.462 -6.208 -19.032 1.00 0.00 C ATOM 831 CG PRO A 60 -8.213 -6.849 -19.516 1.00 0.00 C ATOM 832 CD PRO A 60 -7.302 -6.982 -18.314 1.00 0.00 C ATOM 0 HA PRO A 60 -8.738 -4.287 -18.170 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.182 -6.951 -18.688 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.947 -5.636 -19.823 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.423 -7.825 -19.953 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.744 -6.246 -20.293 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.333 -7.990 -17.900 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.264 -6.777 -18.576 1.00 0.00 H new ATOM 840 N CYS A 61 -10.740 -3.893 -16.922 1.00 0.00 N ATOM 841 CA CYS A 61 -11.833 -3.576 -16.021 1.00 0.00 C ATOM 842 C CYS A 61 -12.780 -2.516 -16.565 1.00 0.00 C ATOM 843 O CYS A 61 -12.392 -1.609 -17.301 1.00 0.00 O ATOM 844 CB CYS A 61 -11.340 -3.048 -14.677 1.00 0.00 C ATOM 845 SG CYS A 61 -9.740 -2.125 -14.707 1.00 0.00 S ATOM 0 H CYS A 61 -10.466 -3.128 -17.538 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.356 -4.526 -15.909 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.107 -2.393 -14.263 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.238 -3.891 -13.993 1.00 0.00 H new ATOM 850 N GLY A 62 -14.046 -2.695 -16.183 1.00 0.00 N ATOM 851 CA GLY A 62 -15.120 -1.815 -16.597 1.00 0.00 C ATOM 852 C GLY A 62 -14.833 -0.322 -16.442 1.00 0.00 C ATOM 853 O GLY A 62 -15.697 0.491 -16.751 1.00 0.00 O ATOM 0 H GLY A 62 -14.347 -3.458 -15.577 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.352 -2.018 -17.643 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.012 -2.059 -16.020 1.00 0.00 H new ATOM 857 N SER A 63 -13.646 0.060 -16.017 1.00 0.00 N ATOM 858 CA SER A 63 -13.337 1.465 -15.908 1.00 0.00 C ATOM 859 C SER A 63 -12.858 1.959 -17.271 1.00 0.00 C ATOM 860 O SER A 63 -11.902 2.733 -17.380 1.00 0.00 O ATOM 861 CB SER A 63 -12.288 1.709 -14.837 1.00 0.00 C ATOM 862 OG SER A 63 -12.246 3.071 -14.446 1.00 0.00 O ATOM 0 H SER A 63 -12.893 -0.573 -15.746 1.00 0.00 H new ATOM 0 HA SER A 63 -14.228 2.017 -15.611 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.503 1.087 -13.968 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.309 1.407 -15.210 1.00 0.00 H new ATOM 0 HG SER A 63 -11.914 3.615 -15.190 1.00 0.00 H new ATOM 868 N GLY A 64 -13.542 1.473 -18.315 1.00 0.00 N ATOM 869 CA GLY A 64 -13.218 1.829 -19.680 1.00 0.00 C ATOM 870 C GLY A 64 -11.786 1.553 -20.011 1.00 0.00 C ATOM 871 O GLY A 64 -11.058 2.426 -20.474 1.00 0.00 O ATOM 0 H GLY A 64 -14.327 0.828 -18.226 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.861 1.271 -20.361 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.428 2.887 -19.837 1.00 0.00 H new ATOM 875 N GLY A 65 -11.372 0.329 -19.736 1.00 0.00 N ATOM 876 CA GLY A 65 -10.013 -0.074 -19.962 1.00 0.00 C ATOM 877 C GLY A 65 -9.605 -1.214 -19.072 1.00 0.00 C ATOM 878 O GLY A 65 -10.429 -2.053 -18.707 1.00 0.00 O ATOM 0 H GLY A 65 -11.971 -0.402 -19.353 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.891 -0.367 -21.005 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.351 0.774 -19.790 1.00 0.00 H new ATOM 882 N ARG A 66 -8.346 -1.225 -18.710 1.00 0.00 N ATOM 883 CA ARG A 66 -7.813 -2.244 -17.840 1.00 0.00 C ATOM 884 C ARG A 66 -7.127 -1.587 -16.677 1.00 0.00 C ATOM 885 O ARG A 66 -6.716 -0.435 -16.792 1.00 0.00 O ATOM 886 CB ARG A 66 -6.826 -3.176 -18.549 1.00 0.00 C ATOM 887 CG ARG A 66 -7.065 -3.357 -20.045 1.00 0.00 C ATOM 888 CD ARG A 66 -8.515 -3.655 -20.373 1.00 0.00 C ATOM 889 NE ARG A 66 -8.700 -4.132 -21.734 1.00 0.00 N ATOM 890 CZ ARG A 66 -8.744 -3.331 -22.789 1.00 0.00 C ATOM 891 NH1 ARG A 66 -8.626 -2.017 -22.635 1.00 0.00 N ATOM 892 NH2 ARG A 66 -8.910 -3.840 -23.998 1.00 0.00 N ATOM 0 H ARG A 66 -7.663 -0.529 -19.009 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.650 -2.857 -17.506 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.817 -2.790 -18.402 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.866 -4.154 -18.070 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.756 -2.453 -20.570 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.439 -4.170 -20.413 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.894 -4.403 -19.676 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.109 -2.753 -20.226 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.801 -5.136 -21.885 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.501 -1.622 -21.703 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.660 -1.403 -23.449 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.004 -4.849 -24.118 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.944 -3.224 -24.810 1.00 0.00 H new ATOM 906 N CYS A 67 -6.963 -2.296 -15.571 1.00 0.00 N ATOM 907 CA CYS A 67 -6.284 -1.701 -14.445 1.00 0.00 C ATOM 908 C CYS A 67 -4.902 -1.287 -14.883 1.00 0.00 C ATOM 909 O CYS A 67 -4.450 -1.653 -15.969 1.00 0.00 O ATOM 910 CB CYS A 67 -6.239 -2.654 -13.243 1.00 0.00 C ATOM 911 SG CYS A 67 -5.781 -1.852 -11.678 1.00 0.00 S ATOM 0 H CYS A 67 -7.282 -3.255 -15.435 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.835 -0.822 -14.112 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.217 -3.122 -13.127 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.527 -3.452 -13.452 1.00 0.00 H new ATOM 916 N ALA A 68 -4.228 -0.559 -14.039 1.00 0.00 N ATOM 917 CA ALA A 68 -2.900 -0.114 -14.321 1.00 0.00 C ATOM 918 C ALA A 68 -2.192 0.177 -13.019 1.00 0.00 C ATOM 919 O ALA A 68 -1.606 -0.730 -12.414 1.00 0.00 O ATOM 920 CB ALA A 68 -2.943 1.079 -15.245 1.00 0.00 C ATOM 0 H ALA A 68 -4.589 -0.258 -13.134 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.335 -0.890 -14.838 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.927 1.413 -15.456 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.434 0.800 -16.177 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.499 1.887 -14.770 1.00 0.00 H new ATOM 926 N ALA A 69 -2.208 1.425 -12.591 1.00 0.00 N ATOM 927 CA ALA A 69 -1.589 1.920 -11.366 1.00 0.00 C ATOM 928 C ALA A 69 -2.387 1.615 -10.097 1.00 0.00 C ATOM 929 O ALA A 69 -3.269 0.756 -10.082 1.00 0.00 O ATOM 930 CB ALA A 69 -1.304 3.409 -11.491 1.00 0.00 C ATOM 0 H ALA A 69 -2.678 2.164 -13.114 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.651 1.376 -11.252 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.842 3.769 -10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.628 3.581 -12.329 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.238 3.945 -11.662 1.00 0.00 H new ATOM 936 N ALA A 70 -2.114 2.422 -9.054 1.00 0.00 N ATOM 937 CA ALA A 70 -2.851 2.346 -7.811 1.00 0.00 C ATOM 938 C ALA A 70 -4.318 2.533 -8.115 1.00 0.00 C ATOM 939 O ALA A 70 -4.772 3.664 -8.238 1.00 0.00 O ATOM 940 CB ALA A 70 -2.484 3.472 -6.849 1.00 0.00 C ATOM 0 H ALA A 70 -1.382 3.132 -9.064 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.617 1.383 -7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.064 3.370 -5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.421 3.418 -6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.705 4.433 -7.313 1.00 0.00 H new ATOM 946 N GLY A 71 -5.053 1.465 -8.264 1.00 0.00 N ATOM 947 CA GLY A 71 -6.440 1.629 -8.551 1.00 0.00 C ATOM 948 C GLY A 71 -6.728 2.385 -9.832 1.00 0.00 C ATOM 949 O GLY A 71 -7.667 3.177 -9.885 1.00 0.00 O ATOM 0 H GLY A 71 -4.723 0.502 -8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.905 0.645 -8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.911 2.154 -7.720 1.00 0.00 H new ATOM 953 N ILE A 72 -5.946 2.128 -10.868 1.00 0.00 N ATOM 954 CA ILE A 72 -6.154 2.768 -12.152 1.00 0.00 C ATOM 955 C ILE A 72 -6.624 1.759 -13.153 1.00 0.00 C ATOM 956 O ILE A 72 -6.219 0.608 -13.114 1.00 0.00 O ATOM 957 CB ILE A 72 -4.904 3.521 -12.719 1.00 0.00 C ATOM 958 CG1 ILE A 72 -4.930 4.978 -12.273 1.00 0.00 C ATOM 959 CG2 ILE A 72 -4.892 3.492 -14.238 1.00 0.00 C ATOM 960 CD1 ILE A 72 -4.322 5.951 -13.258 1.00 0.00 C ATOM 0 H ILE A 72 -5.160 1.478 -10.842 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.911 3.533 -11.977 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.014 3.019 -12.339 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.964 5.269 -12.087 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.400 5.063 -11.325 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.013 4.022 -14.605 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.862 2.458 -14.582 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.792 3.975 -14.618 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.385 6.962 -12.856 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.277 5.692 -13.427 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.865 5.901 -14.202 1.00 0.00 H new ATOM 972 N CYS A 73 -7.437 2.215 -14.075 1.00 0.00 N ATOM 973 CA CYS A 73 -7.902 1.385 -15.135 1.00 0.00 C ATOM 974 C CYS A 73 -7.590 2.159 -16.400 1.00 0.00 C ATOM 975 O CYS A 73 -8.192 3.192 -16.716 1.00 0.00 O ATOM 976 CB CYS A 73 -9.363 0.953 -14.938 1.00 0.00 C ATOM 977 SG CYS A 73 -9.966 -0.485 -15.933 1.00 0.00 S ATOM 0 H CYS A 73 -7.789 3.172 -14.103 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.403 0.417 -15.180 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.505 0.716 -13.884 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.000 1.808 -15.162 1.00 0.00 H new ATOM 982 N CYS A 74 -6.510 1.693 -16.994 1.00 0.00 N ATOM 983 CA CYS A 74 -5.884 2.298 -18.140 1.00 0.00 C ATOM 984 C CYS A 74 -5.935 1.404 -19.339 1.00 0.00 C ATOM 985 O CYS A 74 -5.943 0.184 -19.207 1.00 0.00 O ATOM 986 CB CYS A 74 -4.415 2.490 -17.783 1.00 0.00 C ATOM 987 SG CYS A 74 -3.356 3.181 -19.092 1.00 0.00 S ATOM 0 H CYS A 74 -6.031 0.851 -16.676 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.400 3.228 -18.379 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.356 3.144 -16.913 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.006 1.525 -17.484 1.00 0.00 H new ATOM 992 N SER A 75 -5.899 2.002 -20.509 1.00 0.00 N ATOM 993 CA SER A 75 -5.861 1.222 -21.707 1.00 0.00 C ATOM 994 C SER A 75 -4.482 1.478 -22.309 1.00 0.00 C ATOM 995 O SER A 75 -3.518 1.607 -21.549 1.00 0.00 O ATOM 996 CB SER A 75 -6.995 1.712 -22.617 1.00 0.00 C ATOM 997 OG SER A 75 -8.261 1.567 -21.977 1.00 0.00 O ATOM 0 H SER A 75 -5.896 3.013 -20.647 1.00 0.00 H new ATOM 0 HA SER A 75 -6.004 0.153 -21.552 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.832 2.758 -22.876 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.988 1.148 -23.549 1.00 0.00 H new ATOM 0 HG SER A 75 -8.968 1.887 -22.575 1.00 0.00 H new ATOM 1003 N PRO A 76 -4.324 1.673 -23.626 1.00 0.00 N ATOM 1004 CA PRO A 76 -3.035 2.027 -24.159 1.00 0.00 C ATOM 1005 C PRO A 76 -2.934 3.544 -24.252 1.00 0.00 C ATOM 1006 O PRO A 76 -1.854 4.126 -24.247 1.00 0.00 O ATOM 1007 CB PRO A 76 -3.067 1.389 -25.554 1.00 0.00 C ATOM 1008 CG PRO A 76 -4.510 1.203 -25.902 1.00 0.00 C ATOM 1009 CD PRO A 76 -5.328 1.620 -24.698 1.00 0.00 C ATOM 0 HA PRO A 76 -2.187 1.694 -23.561 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.571 2.028 -26.284 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.541 0.434 -25.556 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.775 1.804 -26.772 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.711 0.163 -26.160 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.809 2.586 -24.850 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.118 0.902 -24.477 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.104 4.134 -24.489 1.00 0.00 N ATOM 1018 CA ASP A 77 -4.305 5.584 -24.785 1.00 0.00 C ATOM 1019 C ASP A 77 -4.007 6.460 -23.621 1.00 0.00 C ATOM 1020 O ASP A 77 -3.073 7.255 -23.651 1.00 0.00 O ATOM 1021 CB ASP A 77 -5.745 5.822 -25.249 1.00 0.00 C ATOM 1022 CG ASP A 77 -5.840 6.923 -26.284 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -4.980 6.967 -27.189 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -6.777 7.748 -26.193 1.00 0.00 O ATOM 0 H ASP A 77 -4.980 3.612 -24.484 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.601 5.847 -25.574 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.147 4.899 -25.666 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.364 6.080 -24.389 1.00 0.00 H new ATOM 1029 N GLY A 78 -4.758 6.256 -22.517 1.00 0.00 N ATOM 1030 CA GLY A 78 -4.487 6.995 -21.280 1.00 0.00 C ATOM 1031 C GLY A 78 -5.042 6.305 -20.054 1.00 0.00 C ATOM 1032 O GLY A 78 -5.969 5.494 -20.168 1.00 0.00 O ATOM 0 H GLY A 78 -5.537 5.600 -22.463 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.410 7.120 -21.165 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.918 7.993 -21.356 1.00 0.00 H new ATOM 1036 N CYS A 79 -4.461 6.559 -18.874 1.00 0.00 N ATOM 1037 CA CYS A 79 -4.908 5.887 -17.654 1.00 0.00 C ATOM 1038 C CYS A 79 -5.508 6.799 -16.605 1.00 0.00 C ATOM 1039 O CYS A 79 -5.067 7.931 -16.401 1.00 0.00 O ATOM 1040 CB CYS A 79 -3.742 5.200 -16.970 1.00 0.00 C ATOM 1041 SG CYS A 79 -2.423 4.674 -18.103 1.00 0.00 S ATOM 0 H CYS A 79 -3.692 7.216 -18.742 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.676 5.198 -18.005 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.320 5.877 -16.228 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.113 4.328 -16.432 1.00 0.00 H new ATOM 1046 N GLU A 80 -6.529 6.266 -15.958 1.00 0.00 N ATOM 1047 CA GLU A 80 -7.248 6.966 -14.914 1.00 0.00 C ATOM 1048 C GLU A 80 -7.748 5.992 -13.853 1.00 0.00 C ATOM 1049 O GLU A 80 -8.303 4.940 -14.175 1.00 0.00 O ATOM 1050 CB GLU A 80 -8.420 7.739 -15.509 1.00 0.00 C ATOM 1051 CG GLU A 80 -9.430 6.851 -16.218 1.00 0.00 C ATOM 1052 CD GLU A 80 -10.790 6.868 -15.550 1.00 0.00 C ATOM 1053 OE1 GLU A 80 -11.241 7.964 -15.150 1.00 0.00 O ATOM 1054 OE2 GLU A 80 -11.409 5.790 -15.428 1.00 0.00 O ATOM 0 H GLU A 80 -6.883 5.328 -16.145 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.563 7.669 -14.440 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.925 8.288 -14.714 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.038 8.478 -16.214 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.533 7.178 -17.253 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.054 5.828 -16.243 1.00 0.00 H new ATOM 1061 N GLU A 81 -7.481 6.313 -12.592 1.00 0.00 N ATOM 1062 CA GLU A 81 -7.816 5.451 -11.466 1.00 0.00 C ATOM 1063 C GLU A 81 -9.224 4.907 -11.449 1.00 0.00 C ATOM 1064 O GLU A 81 -10.202 5.653 -11.438 1.00 0.00 O ATOM 1065 CB GLU A 81 -7.518 6.184 -10.168 1.00 0.00 C ATOM 1066 CG GLU A 81 -7.956 7.618 -10.162 1.00 0.00 C ATOM 1067 CD GLU A 81 -8.426 8.089 -8.799 1.00 0.00 C ATOM 1068 OE1 GLU A 81 -7.572 8.288 -7.917 1.00 0.00 O ATOM 1069 OE2 GLU A 81 -9.651 8.261 -8.615 1.00 0.00 O ATOM 0 H GLU A 81 -7.023 7.184 -12.321 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.188 4.567 -11.580 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.009 5.662 -9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.446 6.142 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.129 8.246 -10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.763 7.749 -10.883 1.00 0.00 H new ATOM 1076 N ASP A 82 -9.296 3.576 -11.396 1.00 0.00 N ATOM 1077 CA ASP A 82 -10.535 2.850 -11.328 1.00 0.00 C ATOM 1078 C ASP A 82 -10.818 2.430 -9.894 1.00 0.00 C ATOM 1079 O ASP A 82 -10.060 1.655 -9.298 1.00 0.00 O ATOM 1080 CB ASP A 82 -10.448 1.591 -12.200 1.00 0.00 C ATOM 1081 CG ASP A 82 -9.190 0.788 -11.946 1.00 0.00 C ATOM 1082 OD1 ASP A 82 -8.338 1.260 -11.176 1.00 0.00 O ATOM 1083 OD2 ASP A 82 -9.055 -0.324 -12.510 1.00 0.00 O ATOM 0 H ASP A 82 -8.472 2.975 -11.400 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.336 3.497 -11.686 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.319 0.963 -12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.484 1.879 -13.251 1.00 0.00 H new ATOM 1088 N PRO A 83 -11.923 2.924 -9.319 1.00 0.00 N ATOM 1089 CA PRO A 83 -12.343 2.579 -7.958 1.00 0.00 C ATOM 1090 C PRO A 83 -12.418 1.089 -7.795 1.00 0.00 C ATOM 1091 O PRO A 83 -12.399 0.544 -6.692 1.00 0.00 O ATOM 1092 CB PRO A 83 -13.752 3.186 -7.874 1.00 0.00 C ATOM 1093 CG PRO A 83 -13.704 4.324 -8.810 1.00 0.00 C ATOM 1094 CD PRO A 83 -12.849 3.841 -9.954 1.00 0.00 C ATOM 0 HA PRO A 83 -11.660 2.943 -7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.516 2.464 -8.162 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.987 3.512 -6.861 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.702 4.600 -9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.273 5.207 -8.338 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.445 3.344 -10.719 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.328 4.665 -10.441 1.00 0.00 H new ATOM 1102 N ALA A 84 -12.464 0.493 -8.939 1.00 0.00 N ATOM 1103 CA ALA A 84 -12.497 -0.915 -9.100 1.00 0.00 C ATOM 1104 C ALA A 84 -11.181 -1.492 -8.640 1.00 0.00 C ATOM 1105 O ALA A 84 -11.106 -2.602 -8.119 1.00 0.00 O ATOM 1106 CB ALA A 84 -12.749 -1.203 -10.564 1.00 0.00 C ATOM 0 H ALA A 84 -12.480 1.000 -9.824 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.288 -1.371 -8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.780 -2.281 -10.723 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.701 -0.764 -10.862 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.947 -0.771 -11.163 1.00 0.00 H new ATOM 1112 N CYS A 85 -10.123 -0.706 -8.869 1.00 0.00 N ATOM 1113 CA CYS A 85 -8.789 -1.114 -8.509 1.00 0.00 C ATOM 1114 C CYS A 85 -8.228 -0.508 -7.196 1.00 0.00 C ATOM 1115 O CYS A 85 -7.485 -1.217 -6.528 1.00 0.00 O ATOM 1116 CB CYS A 85 -7.820 -0.901 -9.675 1.00 0.00 C ATOM 1117 SG CYS A 85 -7.249 -2.455 -10.425 1.00 0.00 S ATOM 0 H CYS A 85 -10.180 0.215 -9.303 1.00 0.00 H new ATOM 0 HA CYS A 85 -8.879 -2.179 -8.293 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.308 -0.295 -10.438 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -6.957 -0.336 -9.323 1.00 0.00 H new ATOM 1122 N ASP A 86 -8.524 0.776 -6.784 1.00 0.00 N ATOM 1123 CA ASP A 86 -7.889 1.255 -5.501 1.00 0.00 C ATOM 1124 C ASP A 86 -7.975 2.755 -5.051 1.00 0.00 C ATOM 1125 O ASP A 86 -7.794 3.019 -3.863 1.00 0.00 O ATOM 1126 CB ASP A 86 -6.392 1.001 -5.603 1.00 0.00 C ATOM 1127 CG ASP A 86 -5.689 1.046 -4.263 1.00 0.00 C ATOM 1128 OD1 ASP A 86 -6.170 0.383 -3.318 1.00 0.00 O ATOM 1129 OD2 ASP A 86 -4.662 1.741 -4.162 1.00 0.00 O ATOM 0 H ASP A 86 -9.134 1.437 -7.265 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.480 0.706 -4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.225 0.026 -6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.948 1.744 -6.265 1.00 0.00 H new ATOM 1134 N PRO A 87 -8.111 3.764 -5.933 1.00 0.00 N ATOM 1135 CA PRO A 87 -8.060 5.181 -5.568 1.00 0.00 C ATOM 1136 C PRO A 87 -9.426 5.790 -5.600 1.00 0.00 C ATOM 1137 O PRO A 87 -10.006 6.150 -4.575 1.00 0.00 O ATOM 1138 CB PRO A 87 -7.190 5.740 -6.701 1.00 0.00 C ATOM 1139 CG PRO A 87 -7.071 4.603 -7.671 1.00 0.00 C ATOM 1140 CD PRO A 87 -8.215 3.701 -7.350 1.00 0.00 C ATOM 0 HA PRO A 87 -7.681 5.376 -4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.652 6.612 -7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.213 6.054 -6.334 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.123 4.956 -8.701 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.118 4.087 -7.559 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.169 4.071 -7.725 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.087 2.692 -7.743 1.00 0.00 H new ATOM 1148 N GLU A 88 -9.968 5.804 -6.788 1.00 0.00 N ATOM 1149 CA GLU A 88 -11.298 6.236 -6.960 1.00 0.00 C ATOM 1150 C GLU A 88 -12.171 5.192 -6.214 1.00 0.00 C ATOM 1151 O GLU A 88 -13.376 5.355 -6.060 1.00 0.00 O ATOM 1152 CB GLU A 88 -11.568 6.307 -8.464 1.00 0.00 C ATOM 1153 CG GLU A 88 -12.742 7.196 -8.834 1.00 0.00 C ATOM 1154 CD GLU A 88 -12.335 8.641 -9.001 1.00 0.00 C ATOM 1155 OE1 GLU A 88 -11.746 8.978 -10.054 1.00 0.00 O ATOM 1156 OE2 GLU A 88 -12.600 9.444 -8.085 1.00 0.00 O ATOM 0 H GLU A 88 -9.494 5.517 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.515 7.225 -6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.674 6.674 -8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.754 5.300 -8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.189 6.837 -9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.508 7.123 -8.062 1.00 0.00 H new ATOM 1163 N ALA A 89 -11.483 4.136 -5.769 1.00 0.00 N ATOM 1164 CA ALA A 89 -12.059 3.022 -5.025 1.00 0.00 C ATOM 1165 C ALA A 89 -12.797 3.556 -3.837 1.00 0.00 C ATOM 1166 O ALA A 89 -13.836 4.209 -3.969 1.00 0.00 O ATOM 1167 CB ALA A 89 -10.894 2.141 -4.604 1.00 0.00 C ATOM 0 H ALA A 89 -10.480 4.034 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.769 2.447 -5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.269 1.287 -4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.366 1.788 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.210 2.716 -3.979 1.00 0.00 H new ATOM 1173 N ALA A 90 -12.194 3.353 -2.704 1.00 0.00 N ATOM 1174 CA ALA A 90 -12.705 3.892 -1.494 1.00 0.00 C ATOM 1175 C ALA A 90 -12.659 5.429 -1.618 1.00 0.00 C ATOM 1176 O ALA A 90 -12.751 5.986 -2.709 1.00 0.00 O ATOM 1177 CB ALA A 90 -11.784 3.418 -0.387 1.00 0.00 C ATOM 0 H ALA A 90 -11.337 2.810 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.729 3.580 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.134 3.807 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.782 2.328 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.773 3.778 -0.576 1.00 0.00 H new ATOM 1183 N PHE A 91 -12.442 6.073 -0.484 1.00 0.00 N ATOM 1184 CA PHE A 91 -12.299 7.518 -0.465 1.00 0.00 C ATOM 1185 C PHE A 91 -10.865 7.830 -0.855 1.00 0.00 C ATOM 1186 O PHE A 91 -10.280 8.808 -0.395 1.00 0.00 O ATOM 1187 CB PHE A 91 -12.617 8.088 0.926 1.00 0.00 C ATOM 1188 CG PHE A 91 -11.890 7.392 2.042 1.00 0.00 C ATOM 1189 CD1 PHE A 91 -12.445 6.287 2.665 1.00 0.00 C ATOM 1190 CD2 PHE A 91 -10.652 7.845 2.468 1.00 0.00 C ATOM 1191 CE1 PHE A 91 -11.779 5.645 3.691 1.00 0.00 C ATOM 1192 CE2 PHE A 91 -9.981 7.207 3.495 1.00 0.00 C ATOM 1193 CZ PHE A 91 -10.545 6.105 4.107 1.00 0.00 C ATOM 0 H PHE A 91 -12.362 5.623 0.428 1.00 0.00 H new ATOM 0 HA PHE A 91 -13.000 7.977 -1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.362 9.148 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -13.690 8.016 1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -13.410 5.923 2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.206 8.706 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -12.223 4.784 4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.017 7.570 3.818 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.023 5.604 4.909 1.00 0.00 H new ATOM 1203 N SER A 92 -10.280 6.932 -1.671 1.00 0.00 N ATOM 1204 CA SER A 92 -8.892 7.046 -2.083 1.00 0.00 C ATOM 1205 C SER A 92 -8.730 8.049 -3.223 1.00 0.00 C ATOM 1206 O SER A 92 -9.720 8.747 -3.543 1.00 0.00 O ATOM 1207 CB SER A 92 -8.351 5.651 -2.480 1.00 0.00 C ATOM 1208 OG SER A 92 -7.074 5.761 -3.083 1.00 0.00 O ATOM 1209 OXT SER A 92 -7.619 8.135 -3.782 1.00 0.00 O ATOM 0 H SER A 92 -10.762 6.119 -2.053 1.00 0.00 H new ATOM 0 HA SER A 92 -8.308 7.423 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.288 5.015 -1.597 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.044 5.170 -3.170 1.00 0.00 H new ATOM 0 HG SER A 92 -6.809 6.704 -3.119 1.00 0.00 H new