USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 911 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 13 THR OG1 : rot -170:sc= -0.0382 USER MOD Single : A 19 TYR OH : rot 165:sc= -0.24 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 136:sc= -0.986 (180deg=-3.74!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.417 K(o=-0.42,f=-1.2) USER MOD Single : A 32 GLN : amide:sc= -0.631 K(o=-0.63,f=0) USER MOD Single : A 34 SER OG : rot 103:sc= -0.394 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.988 K(o=0.99,f=-0.62) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -84:sc= 2.25 USER MOD Single : A 59 GLN : amide:sc= -0.84 K(o=-0.84,f=-0.25) USER MOD Single : A 64 ASN : amide:sc= -1.68 K(o=-1.7,f=-7.4!) USER MOD Single : A 66 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.12) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 99:sc= 1.24 USER MOD Single : A 85 GLN : amide:sc= -0.105 K(o=-0.1,f=-0.78) USER MOD Single : A 94 ASN : amide:sc= 0.503 K(o=0.5,f=-0.11) USER MOD Single : A 99 THR OG1 : rot -80:sc= -0.435 USER MOD Single : A 100 MET CE :methyl -157:sc= -0.166 (180deg=-0.75) USER MOD Single : A 101 GLN : amide:sc= 0.247 K(o=0.25,f=-1.3!) USER MOD Single : A 102 THR OG1 : rot -158:sc= 0.937 USER MOD Single : A 108 THR OG1 : rot 77:sc= 1.03 USER MOD Single : A 109 TYR OH : rot 30:sc= -0.447 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 112 MET CE :methyl -111:sc= -0.168 (180deg=-2.03!) USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 10 -17.239 9.848 -13.844 1.00 0.00 N ATOM 149 CA PHE A 10 -16.820 10.372 -12.552 1.00 0.00 C ATOM 150 C PHE A 10 -15.480 11.086 -12.670 1.00 0.00 C ATOM 151 O PHE A 10 -14.427 10.451 -12.751 1.00 0.00 O ATOM 152 CB PHE A 10 -16.745 9.251 -11.514 1.00 0.00 C ATOM 153 CG PHE A 10 -18.077 8.617 -11.236 1.00 0.00 C ATOM 154 CD1 PHE A 10 -19.075 9.333 -10.595 1.00 0.00 C ATOM 155 CD2 PHE A 10 -18.333 7.312 -11.620 1.00 0.00 C ATOM 156 CE1 PHE A 10 -20.305 8.757 -10.343 1.00 0.00 C ATOM 157 CE2 PHE A 10 -19.561 6.731 -11.369 1.00 0.00 C ATOM 158 CZ PHE A 10 -20.548 7.455 -10.731 1.00 0.00 C ATOM 0 HA PHE A 10 -17.564 11.096 -12.220 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -16.051 8.486 -11.863 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -16.338 9.651 -10.585 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -18.889 10.352 -10.289 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -17.565 6.742 -12.121 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -21.076 9.325 -9.843 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -19.749 5.711 -11.672 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.509 7.003 -10.536 1.00 0.00 H new ATOM 168 N PRO A 11 -15.507 12.425 -12.702 1.00 0.00 N ATOM 169 CA PRO A 11 -14.323 13.246 -12.850 1.00 0.00 C ATOM 170 C PRO A 11 -13.720 13.637 -11.503 1.00 0.00 C ATOM 171 O PRO A 11 -14.340 14.366 -10.722 1.00 0.00 O ATOM 172 CB PRO A 11 -14.850 14.482 -13.589 1.00 0.00 C ATOM 173 CG PRO A 11 -16.347 14.460 -13.442 1.00 0.00 C ATOM 174 CD PRO A 11 -16.703 13.262 -12.600 1.00 0.00 C ATOM 0 HA PRO A 11 -13.521 12.728 -13.376 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.432 15.395 -13.165 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.563 14.458 -14.640 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.699 15.378 -12.971 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.827 14.398 -14.419 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -16.914 13.542 -11.568 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.588 12.750 -12.979 1.00 0.00 H new ATOM 182 N ARG A 12 -12.520 13.124 -11.239 1.00 0.00 N ATOM 183 CA ARG A 12 -11.773 13.444 -10.020 1.00 0.00 C ATOM 184 C ARG A 12 -12.541 12.983 -8.779 1.00 0.00 C ATOM 185 O ARG A 12 -12.415 13.559 -7.699 1.00 0.00 O ATOM 186 CB ARG A 12 -11.501 14.953 -9.954 1.00 0.00 C ATOM 187 CG ARG A 12 -10.307 15.330 -9.089 1.00 0.00 C ATOM 188 CD ARG A 12 -10.081 16.836 -9.070 1.00 0.00 C ATOM 189 NE ARG A 12 -10.092 17.427 -10.411 1.00 0.00 N ATOM 190 CZ ARG A 12 -8.999 17.806 -11.080 1.00 0.00 C ATOM 191 NH1 ARG A 12 -7.791 17.544 -10.596 1.00 0.00 N ATOM 192 NH2 ARG A 12 -9.124 18.430 -12.243 1.00 0.00 N ATOM 0 H ARG A 12 -12.037 12.476 -11.861 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.820 12.915 -10.045 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.337 15.327 -10.965 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.388 15.455 -9.569 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.467 14.973 -8.072 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.413 14.832 -9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.854 17.308 -8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.125 17.050 -8.591 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.996 17.558 -10.865 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.693 17.051 -9.709 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.961 17.836 -11.112 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.051 18.619 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.293 18.721 -12.757 1.00 0.00 H new ATOM 206 N THR A 13 -13.323 11.923 -8.938 1.00 0.00 N ATOM 207 CA THR A 13 -14.137 11.411 -7.849 1.00 0.00 C ATOM 208 C THR A 13 -13.374 10.356 -7.048 1.00 0.00 C ATOM 209 O THR A 13 -13.223 9.217 -7.482 1.00 0.00 O ATOM 210 CB THR A 13 -15.446 10.808 -8.391 1.00 0.00 C ATOM 211 OG1 THR A 13 -16.090 11.760 -9.251 1.00 0.00 O ATOM 212 CG2 THR A 13 -16.386 10.425 -7.259 1.00 0.00 C ATOM 0 H THR A 13 -13.409 11.403 -9.811 1.00 0.00 H new ATOM 0 HA THR A 13 -14.376 12.245 -7.189 1.00 0.00 H new ATOM 0 HB THR A 13 -15.202 9.905 -8.951 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.992 11.445 -9.470 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.301 10.002 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.903 9.687 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.629 11.311 -6.672 1.00 0.00 H new ATOM 220 N ALA A 14 -12.890 10.753 -5.879 1.00 0.00 N ATOM 221 CA ALA A 14 -12.142 9.852 -5.010 1.00 0.00 C ATOM 222 C ALA A 14 -12.966 9.475 -3.784 1.00 0.00 C ATOM 223 O ALA A 14 -12.420 9.104 -2.743 1.00 0.00 O ATOM 224 CB ALA A 14 -10.839 10.509 -4.589 1.00 0.00 C ATOM 0 H ALA A 14 -13.002 11.697 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.920 8.939 -5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.283 9.832 -3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.243 10.735 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.054 11.432 -4.051 1.00 0.00 H new ATOM 230 N ALA A 15 -14.279 9.557 -3.917 1.00 0.00 N ATOM 231 CA ALA A 15 -15.174 9.284 -2.803 1.00 0.00 C ATOM 232 C ALA A 15 -15.819 7.910 -2.939 1.00 0.00 C ATOM 233 O ALA A 15 -16.732 7.718 -3.739 1.00 0.00 O ATOM 234 CB ALA A 15 -16.241 10.365 -2.704 1.00 0.00 C ATOM 0 H ALA A 15 -14.750 9.810 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.584 9.288 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.903 10.147 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.765 11.333 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.820 10.390 -3.627 1.00 0.00 H new ATOM 240 N ILE A 16 -15.321 6.956 -2.166 1.00 0.00 N ATOM 241 CA ILE A 16 -15.897 5.619 -2.129 1.00 0.00 C ATOM 242 C ILE A 16 -16.768 5.479 -0.887 1.00 0.00 C ATOM 243 O ILE A 16 -16.262 5.504 0.240 1.00 0.00 O ATOM 244 CB ILE A 16 -14.802 4.527 -2.116 1.00 0.00 C ATOM 245 CG1 ILE A 16 -13.870 4.694 -3.319 1.00 0.00 C ATOM 246 CG2 ILE A 16 -15.432 3.139 -2.117 1.00 0.00 C ATOM 247 CD1 ILE A 16 -12.704 3.728 -3.325 1.00 0.00 C ATOM 0 H ILE A 16 -14.516 7.084 -1.553 1.00 0.00 H new ATOM 0 HA ILE A 16 -16.497 5.484 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 16 -14.214 4.636 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -14.446 4.560 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -13.485 5.714 -3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -14.647 2.383 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -16.058 3.023 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.042 3.017 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.088 3.906 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.104 3.876 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.079 2.705 -3.346 1.00 0.00 H new ATOM 259 N ASP A 17 -18.073 5.346 -1.084 1.00 0.00 N ATOM 260 CA ASP A 17 -19.006 5.321 0.035 1.00 0.00 C ATOM 261 C ASP A 17 -19.271 3.900 0.529 1.00 0.00 C ATOM 262 O ASP A 17 -19.903 3.716 1.572 1.00 0.00 O ATOM 263 CB ASP A 17 -20.323 6.024 -0.325 1.00 0.00 C ATOM 264 CG ASP A 17 -21.058 5.379 -1.484 1.00 0.00 C ATOM 265 OD1 ASP A 17 -20.680 5.631 -2.646 1.00 0.00 O ATOM 266 OD2 ASP A 17 -22.038 4.647 -1.236 1.00 0.00 O ATOM 0 H ASP A 17 -18.508 5.254 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.536 5.869 0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -20.974 6.029 0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -20.114 7.065 -0.572 1.00 0.00 H new ATOM 271 N ALA A 18 -18.789 2.899 -0.201 1.00 0.00 N ATOM 272 CA ALA A 18 -18.905 1.515 0.247 1.00 0.00 C ATOM 273 C ALA A 18 -17.813 0.634 -0.348 1.00 0.00 C ATOM 274 O ALA A 18 -17.649 0.560 -1.567 1.00 0.00 O ATOM 275 CB ALA A 18 -20.276 0.949 -0.093 1.00 0.00 C ATOM 0 H ALA A 18 -18.318 3.018 -1.098 1.00 0.00 H new ATOM 0 HA ALA A 18 -18.782 1.517 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -20.339 -0.084 0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -21.047 1.543 0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -20.426 0.982 -1.172 1.00 0.00 H new ATOM 281 N TYR A 19 -17.065 -0.037 0.517 1.00 0.00 N ATOM 282 CA TYR A 19 -16.052 -0.979 0.068 1.00 0.00 C ATOM 283 C TYR A 19 -16.085 -2.249 0.910 1.00 0.00 C ATOM 284 O TYR A 19 -16.222 -2.201 2.135 1.00 0.00 O ATOM 285 CB TYR A 19 -14.652 -0.356 0.101 1.00 0.00 C ATOM 286 CG TYR A 19 -13.566 -1.314 -0.347 1.00 0.00 C ATOM 287 CD1 TYR A 19 -13.602 -1.885 -1.614 1.00 0.00 C ATOM 288 CD2 TYR A 19 -12.522 -1.663 0.499 1.00 0.00 C ATOM 289 CE1 TYR A 19 -12.626 -2.773 -2.025 1.00 0.00 C ATOM 290 CE2 TYR A 19 -11.542 -2.552 0.094 1.00 0.00 C ATOM 291 CZ TYR A 19 -11.600 -3.104 -1.169 1.00 0.00 C ATOM 292 OH TYR A 19 -10.627 -3.993 -1.575 1.00 0.00 O ATOM 0 H TYR A 19 -17.141 0.054 1.530 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.281 -1.238 -0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.638 0.526 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.435 -0.018 1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.406 -1.630 -2.288 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -12.474 -1.234 1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.668 -3.205 -3.014 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.736 -2.812 0.763 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.861 -3.940 -0.966 1.00 0.00 H new ATOM 302 N GLY A 20 -15.975 -3.378 0.232 1.00 0.00 N ATOM 303 CA GLY A 20 -15.979 -4.665 0.887 1.00 0.00 C ATOM 304 C GLY A 20 -16.511 -5.724 -0.047 1.00 0.00 C ATOM 305 O GLY A 20 -16.636 -5.460 -1.247 1.00 0.00 O ATOM 0 H GLY A 20 -15.881 -3.424 -0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.968 -4.923 1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.593 -4.621 1.786 1.00 0.00 H new ATOM 309 N LYS A 21 -16.817 -6.904 0.491 1.00 0.00 N ATOM 310 CA LYS A 21 -17.403 -7.996 -0.291 1.00 0.00 C ATOM 311 C LYS A 21 -16.433 -8.482 -1.368 1.00 0.00 C ATOM 312 O LYS A 21 -15.706 -9.455 -1.171 1.00 0.00 O ATOM 313 CB LYS A 21 -18.727 -7.536 -0.918 1.00 0.00 C ATOM 314 CG LYS A 21 -19.488 -8.620 -1.663 1.00 0.00 C ATOM 315 CD LYS A 21 -20.675 -8.032 -2.411 1.00 0.00 C ATOM 316 CE LYS A 21 -21.636 -7.319 -1.471 1.00 0.00 C ATOM 317 NZ LYS A 21 -22.716 -6.616 -2.212 1.00 0.00 N ATOM 0 H LYS A 21 -16.668 -7.131 1.474 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.602 -8.834 0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.367 -7.138 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -18.522 -6.717 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.822 -9.121 -2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.835 -9.376 -0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.318 -7.332 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -21.203 -8.827 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.077 -8.043 -0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.085 -6.601 -0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.349 -6.143 -1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.297 -5.908 -2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.259 -7.305 -2.771 1.00 0.00 H new ATOM 331 N GLY A 22 -16.418 -7.784 -2.492 1.00 0.00 N ATOM 332 CA GLY A 22 -15.532 -8.126 -3.581 1.00 0.00 C ATOM 333 C GLY A 22 -15.609 -7.107 -4.697 1.00 0.00 C ATOM 334 O GLY A 22 -15.357 -7.424 -5.858 1.00 0.00 O ATOM 0 H GLY A 22 -17.013 -6.975 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.508 -8.188 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.792 -9.111 -3.968 1.00 0.00 H new ATOM 338 N GLY A 23 -15.957 -5.877 -4.343 1.00 0.00 N ATOM 339 CA GLY A 23 -16.098 -4.837 -5.336 1.00 0.00 C ATOM 340 C GLY A 23 -16.149 -3.456 -4.722 1.00 0.00 C ATOM 341 O GLY A 23 -16.294 -3.314 -3.504 1.00 0.00 O ATOM 0 H GLY A 23 -16.144 -5.583 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.263 -4.890 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.007 -5.009 -5.912 1.00 0.00 H new ATOM 345 N PHE A 24 -16.033 -2.443 -5.565 1.00 0.00 N ATOM 346 CA PHE A 24 -16.070 -1.058 -5.121 1.00 0.00 C ATOM 347 C PHE A 24 -17.417 -0.436 -5.456 1.00 0.00 C ATOM 348 O PHE A 24 -17.808 -0.388 -6.623 1.00 0.00 O ATOM 349 CB PHE A 24 -14.961 -0.243 -5.797 1.00 0.00 C ATOM 350 CG PHE A 24 -13.566 -0.705 -5.482 1.00 0.00 C ATOM 351 CD1 PHE A 24 -13.014 -1.789 -6.144 1.00 0.00 C ATOM 352 CD2 PHE A 24 -12.806 -0.048 -4.528 1.00 0.00 C ATOM 353 CE1 PHE A 24 -11.731 -2.208 -5.862 1.00 0.00 C ATOM 354 CE2 PHE A 24 -11.522 -0.464 -4.241 1.00 0.00 C ATOM 355 CZ PHE A 24 -10.984 -1.547 -4.909 1.00 0.00 C ATOM 0 H PHE A 24 -15.911 -2.556 -6.571 1.00 0.00 H new ATOM 0 HA PHE A 24 -15.917 -1.045 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.107 -0.280 -6.877 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -15.061 0.800 -5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -13.595 -2.312 -6.889 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -13.223 0.799 -4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -11.311 -3.053 -6.387 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.939 0.056 -3.496 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.980 -1.876 -4.685 1.00 0.00 H new ATOM 365 N TYR A 25 -18.123 0.026 -4.440 1.00 0.00 N ATOM 366 CA TYR A 25 -19.374 0.729 -4.651 1.00 0.00 C ATOM 367 C TYR A 25 -19.197 2.200 -4.312 1.00 0.00 C ATOM 368 O TYR A 25 -18.959 2.561 -3.159 1.00 0.00 O ATOM 369 CB TYR A 25 -20.504 0.112 -3.817 1.00 0.00 C ATOM 370 CG TYR A 25 -21.812 0.874 -3.910 1.00 0.00 C ATOM 371 CD1 TYR A 25 -22.675 0.696 -4.984 1.00 0.00 C ATOM 372 CD2 TYR A 25 -22.179 1.783 -2.926 1.00 0.00 C ATOM 373 CE1 TYR A 25 -23.861 1.401 -5.073 1.00 0.00 C ATOM 374 CE2 TYR A 25 -23.358 2.489 -3.011 1.00 0.00 C ATOM 375 CZ TYR A 25 -24.197 2.296 -4.081 1.00 0.00 C ATOM 376 OH TYR A 25 -25.369 3.017 -4.167 1.00 0.00 O ATOM 0 H TYR A 25 -17.851 -0.073 -3.462 1.00 0.00 H new ATOM 0 HA TYR A 25 -19.653 0.636 -5.701 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -20.667 -0.915 -4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -20.192 0.068 -2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -22.415 -0.005 -5.763 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -21.528 1.939 -2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -24.520 1.251 -5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -23.623 3.194 -2.237 1.00 0.00 H new ATOM 0 HH TYR A 25 -25.452 3.601 -3.384 1.00 0.00 H new ATOM 386 N PHE A 26 -19.292 3.045 -5.322 1.00 0.00 N ATOM 387 CA PHE A 26 -19.135 4.471 -5.123 1.00 0.00 C ATOM 388 C PHE A 26 -20.102 5.250 -6.005 1.00 0.00 C ATOM 389 O PHE A 26 -20.214 4.994 -7.208 1.00 0.00 O ATOM 390 CB PHE A 26 -17.683 4.906 -5.383 1.00 0.00 C ATOM 391 CG PHE A 26 -17.185 4.638 -6.779 1.00 0.00 C ATOM 392 CD1 PHE A 26 -16.788 3.365 -7.161 1.00 0.00 C ATOM 393 CD2 PHE A 26 -17.107 5.666 -7.707 1.00 0.00 C ATOM 394 CE1 PHE A 26 -16.328 3.123 -8.440 1.00 0.00 C ATOM 395 CE2 PHE A 26 -16.646 5.429 -8.987 1.00 0.00 C ATOM 396 CZ PHE A 26 -16.255 4.156 -9.355 1.00 0.00 C ATOM 0 H PHE A 26 -19.477 2.768 -6.286 1.00 0.00 H new ATOM 0 HA PHE A 26 -19.371 4.695 -4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.596 5.973 -5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.032 4.393 -4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.839 2.554 -6.450 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.410 6.663 -7.425 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.025 2.126 -8.725 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.591 6.238 -9.700 1.00 0.00 H new ATOM 0 HZ PHE A 26 -15.893 3.969 -10.355 1.00 0.00 H new ATOM 406 N ALA A 27 -20.846 6.148 -5.368 1.00 0.00 N ATOM 407 CA ALA A 27 -21.709 7.107 -6.058 1.00 0.00 C ATOM 408 C ALA A 27 -22.848 6.438 -6.833 1.00 0.00 C ATOM 409 O ALA A 27 -23.534 7.095 -7.620 1.00 0.00 O ATOM 410 CB ALA A 27 -20.881 7.991 -6.983 1.00 0.00 C ATOM 0 H ALA A 27 -20.869 6.233 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 27 -22.176 7.722 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -21.535 8.700 -7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -20.140 8.536 -6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -20.375 7.370 -7.723 1.00 0.00 H new ATOM 416 N GLY A 28 -23.062 5.146 -6.616 1.00 0.00 N ATOM 417 CA GLY A 28 -24.191 4.485 -7.240 1.00 0.00 C ATOM 418 C GLY A 28 -23.833 3.193 -7.951 1.00 0.00 C ATOM 419 O GLY A 28 -24.698 2.332 -8.141 1.00 0.00 O ATOM 0 H GLY A 28 -22.481 4.550 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -24.941 4.273 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -24.648 5.168 -7.956 1.00 0.00 H new ATOM 423 N MET A 29 -22.578 3.036 -8.353 1.00 0.00 N ATOM 424 CA MET A 29 -22.180 1.831 -9.076 1.00 0.00 C ATOM 425 C MET A 29 -21.348 0.907 -8.196 1.00 0.00 C ATOM 426 O MET A 29 -20.565 1.365 -7.367 1.00 0.00 O ATOM 427 CB MET A 29 -21.397 2.167 -10.352 1.00 0.00 C ATOM 428 CG MET A 29 -20.035 2.802 -10.107 1.00 0.00 C ATOM 429 SD MET A 29 -18.967 2.726 -11.560 1.00 0.00 S ATOM 430 CE MET A 29 -19.966 3.586 -12.770 1.00 0.00 C ATOM 0 H MET A 29 -21.830 3.712 -8.196 1.00 0.00 H new ATOM 0 HA MET A 29 -23.099 1.318 -9.359 1.00 0.00 H new ATOM 0 HB2 MET A 29 -21.259 1.253 -10.930 1.00 0.00 H new ATOM 0 HB3 MET A 29 -21.995 2.844 -10.963 1.00 0.00 H new ATOM 0 HG2 MET A 29 -20.170 3.843 -9.813 1.00 0.00 H new ATOM 0 HG3 MET A 29 -19.546 2.297 -9.274 1.00 0.00 H new ATOM 0 HE1 MET A 29 -19.340 4.277 -13.334 1.00 0.00 H new ATOM 0 HE2 MET A 29 -20.414 2.863 -13.452 1.00 0.00 H new ATOM 0 HE3 MET A 29 -20.754 4.142 -12.262 1.00 0.00 H new ATOM 440 N SER A 30 -21.535 -0.391 -8.386 1.00 0.00 N ATOM 441 CA SER A 30 -20.766 -1.401 -7.676 1.00 0.00 C ATOM 442 C SER A 30 -19.955 -2.212 -8.680 1.00 0.00 C ATOM 443 O SER A 30 -20.489 -3.097 -9.350 1.00 0.00 O ATOM 444 CB SER A 30 -21.700 -2.321 -6.877 1.00 0.00 C ATOM 445 OG SER A 30 -20.974 -3.296 -6.144 1.00 0.00 O ATOM 0 H SER A 30 -22.223 -0.773 -9.035 1.00 0.00 H new ATOM 0 HA SER A 30 -20.089 -0.912 -6.975 1.00 0.00 H new ATOM 0 HB2 SER A 30 -22.301 -1.723 -6.192 1.00 0.00 H new ATOM 0 HB3 SER A 30 -22.392 -2.818 -7.558 1.00 0.00 H new ATOM 0 HG SER A 30 -21.599 -3.863 -5.646 1.00 0.00 H new ATOM 451 N HIS A 31 -18.677 -1.897 -8.802 1.00 0.00 N ATOM 452 CA HIS A 31 -17.825 -2.562 -9.777 1.00 0.00 C ATOM 453 C HIS A 31 -16.846 -3.495 -9.081 1.00 0.00 C ATOM 454 O HIS A 31 -16.049 -3.062 -8.250 1.00 0.00 O ATOM 455 CB HIS A 31 -17.058 -1.534 -10.616 1.00 0.00 C ATOM 456 CG HIS A 31 -16.337 -2.134 -11.786 1.00 0.00 C ATOM 457 ND1 HIS A 31 -15.012 -2.529 -11.743 1.00 0.00 N ATOM 458 CD2 HIS A 31 -16.767 -2.406 -13.040 1.00 0.00 C ATOM 459 CE1 HIS A 31 -14.664 -3.015 -12.922 1.00 0.00 C ATOM 460 NE2 HIS A 31 -15.710 -2.951 -13.723 1.00 0.00 N ATOM 0 H HIS A 31 -18.206 -1.187 -8.241 1.00 0.00 H new ATOM 0 HA HIS A 31 -18.462 -3.149 -10.439 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -17.756 -0.779 -10.978 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -16.337 -1.022 -9.979 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -17.758 -2.227 -13.430 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.689 -3.399 -13.185 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -15.730 -3.258 -14.696 1.00 0.00 H new ATOM 469 N GLN A 32 -16.904 -4.771 -9.427 1.00 0.00 N ATOM 470 CA GLN A 32 -16.009 -5.761 -8.845 1.00 0.00 C ATOM 471 C GLN A 32 -14.706 -5.811 -9.631 1.00 0.00 C ATOM 472 O GLN A 32 -14.679 -5.488 -10.821 1.00 0.00 O ATOM 473 CB GLN A 32 -16.667 -7.145 -8.827 1.00 0.00 C ATOM 474 CG GLN A 32 -18.000 -7.178 -8.091 1.00 0.00 C ATOM 475 CD GLN A 32 -18.535 -8.585 -7.887 1.00 0.00 C ATOM 476 OE1 GLN A 32 -19.258 -8.852 -6.927 1.00 0.00 O ATOM 477 NE2 GLN A 32 -18.181 -9.498 -8.782 1.00 0.00 N ATOM 0 H GLN A 32 -17.562 -5.147 -10.109 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.795 -5.470 -7.817 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.820 -7.478 -9.853 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -15.986 -7.856 -8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.884 -6.696 -7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -18.732 -6.595 -8.651 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.580 -9.239 -9.565 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -18.510 -10.459 -8.688 1.00 0.00 H new ATOM 486 N GLY A 33 -13.628 -6.198 -8.965 1.00 0.00 N ATOM 487 CA GLY A 33 -12.342 -6.286 -9.626 1.00 0.00 C ATOM 488 C GLY A 33 -11.423 -5.143 -9.249 1.00 0.00 C ATOM 489 O GLY A 33 -11.281 -4.821 -8.071 1.00 0.00 O ATOM 0 H GLY A 33 -13.621 -6.453 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.867 -7.232 -9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.490 -6.289 -10.706 1.00 0.00 H new ATOM 493 N SER A 34 -10.813 -4.522 -10.247 1.00 0.00 N ATOM 494 CA SER A 34 -9.868 -3.441 -10.011 1.00 0.00 C ATOM 495 C SER A 34 -10.324 -2.158 -10.703 1.00 0.00 C ATOM 496 O SER A 34 -11.060 -2.201 -11.694 1.00 0.00 O ATOM 497 CB SER A 34 -8.483 -3.846 -10.513 1.00 0.00 C ATOM 498 OG SER A 34 -8.050 -5.044 -9.892 1.00 0.00 O ATOM 0 H SER A 34 -10.956 -4.749 -11.231 1.00 0.00 H new ATOM 0 HA SER A 34 -9.821 -3.250 -8.939 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.509 -3.981 -11.594 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.770 -3.047 -10.309 1.00 0.00 H new ATOM 0 HG SER A 34 -8.161 -5.793 -10.514 1.00 0.00 H new ATOM 504 N LEU A 35 -9.896 -1.021 -10.172 1.00 0.00 N ATOM 505 CA LEU A 35 -10.259 0.275 -10.730 1.00 0.00 C ATOM 506 C LEU A 35 -9.062 1.217 -10.736 1.00 0.00 C ATOM 507 O LEU A 35 -8.161 1.097 -9.904 1.00 0.00 O ATOM 508 CB LEU A 35 -11.403 0.902 -9.930 1.00 0.00 C ATOM 509 CG LEU A 35 -12.763 0.218 -10.082 1.00 0.00 C ATOM 510 CD1 LEU A 35 -13.768 0.816 -9.114 1.00 0.00 C ATOM 511 CD2 LEU A 35 -13.265 0.347 -11.514 1.00 0.00 C ATOM 0 H LEU A 35 -9.293 -0.970 -9.351 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.587 0.117 -11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.130 0.899 -8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.504 1.945 -10.230 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.646 -0.840 -9.850 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.730 0.318 -9.235 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.415 0.679 -8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.882 1.880 -9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.233 -0.145 -11.606 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.368 1.402 -11.770 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.554 -0.123 -12.193 1.00 0.00 H new ATOM 523 N LEU A 36 -9.066 2.153 -11.675 1.00 0.00 N ATOM 524 CA LEU A 36 -8.011 3.148 -11.780 1.00 0.00 C ATOM 525 C LEU A 36 -8.542 4.520 -11.407 1.00 0.00 C ATOM 526 O LEU A 36 -9.269 5.148 -12.179 1.00 0.00 O ATOM 527 CB LEU A 36 -7.441 3.194 -13.200 1.00 0.00 C ATOM 528 CG LEU A 36 -6.630 1.971 -13.621 1.00 0.00 C ATOM 529 CD1 LEU A 36 -6.192 2.104 -15.068 1.00 0.00 C ATOM 530 CD2 LEU A 36 -5.418 1.797 -12.717 1.00 0.00 C ATOM 0 H LEU A 36 -9.797 2.243 -12.381 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.216 2.866 -11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.267 3.320 -13.901 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.808 4.077 -13.291 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.262 1.088 -13.526 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.615 1.225 -15.356 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.071 2.186 -15.708 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.576 2.996 -15.181 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.852 0.920 -13.032 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.784 2.681 -12.784 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.749 1.664 -11.687 1.00 0.00 H new ATOM 542 N PHE A 37 -8.190 4.972 -10.222 1.00 0.00 N ATOM 543 CA PHE A 37 -8.576 6.293 -9.771 1.00 0.00 C ATOM 544 C PHE A 37 -7.506 7.298 -10.170 1.00 0.00 C ATOM 545 O PHE A 37 -6.461 7.403 -9.524 1.00 0.00 O ATOM 546 CB PHE A 37 -8.789 6.307 -8.254 1.00 0.00 C ATOM 547 CG PHE A 37 -9.915 5.421 -7.793 1.00 0.00 C ATOM 548 CD1 PHE A 37 -9.685 4.089 -7.488 1.00 0.00 C ATOM 549 CD2 PHE A 37 -11.201 5.922 -7.661 1.00 0.00 C ATOM 550 CE1 PHE A 37 -10.717 3.272 -7.064 1.00 0.00 C ATOM 551 CE2 PHE A 37 -12.237 5.110 -7.237 1.00 0.00 C ATOM 552 CZ PHE A 37 -11.994 3.784 -6.938 1.00 0.00 C ATOM 0 H PHE A 37 -7.635 4.442 -9.551 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.519 6.568 -10.244 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.867 5.993 -7.764 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.988 7.330 -7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.688 3.684 -7.583 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -11.396 6.959 -7.892 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -10.525 2.235 -6.832 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -13.235 5.512 -7.140 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.801 3.148 -6.606 1.00 0.00 H new ATOM 562 N LEU A 38 -7.751 7.995 -11.267 1.00 0.00 N ATOM 563 CA LEU A 38 -6.822 8.995 -11.761 1.00 0.00 C ATOM 564 C LEU A 38 -7.187 10.360 -11.191 1.00 0.00 C ATOM 565 O LEU A 38 -8.338 10.595 -10.823 1.00 0.00 O ATOM 566 CB LEU A 38 -6.838 9.034 -13.294 1.00 0.00 C ATOM 567 CG LEU A 38 -6.463 7.719 -13.985 1.00 0.00 C ATOM 568 CD1 LEU A 38 -6.574 7.860 -15.495 1.00 0.00 C ATOM 569 CD2 LEU A 38 -5.058 7.289 -13.593 1.00 0.00 C ATOM 0 H LEU A 38 -8.591 7.885 -11.835 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.815 8.732 -11.438 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.835 9.327 -13.623 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.150 9.811 -13.629 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.161 6.949 -13.657 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.304 6.917 -15.969 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.598 8.120 -15.762 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.899 8.645 -15.838 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.811 6.353 -14.094 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.346 8.059 -13.890 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.009 7.146 -12.513 1.00 0.00 H new ATOM 581 N PRO A 39 -6.212 11.281 -11.116 1.00 0.00 N ATOM 582 CA PRO A 39 -6.413 12.611 -10.527 1.00 0.00 C ATOM 583 C PRO A 39 -7.459 13.452 -11.261 1.00 0.00 C ATOM 584 O PRO A 39 -7.865 14.503 -10.770 1.00 0.00 O ATOM 585 CB PRO A 39 -5.035 13.275 -10.641 1.00 0.00 C ATOM 586 CG PRO A 39 -4.075 12.153 -10.831 1.00 0.00 C ATOM 587 CD PRO A 39 -4.827 11.094 -11.581 1.00 0.00 C ATOM 0 HA PRO A 39 -6.788 12.529 -9.507 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.001 13.969 -11.481 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.799 13.848 -9.744 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.198 12.479 -11.390 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.720 11.776 -9.872 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.742 11.226 -12.660 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.455 10.095 -11.351 1.00 0.00 H new ATOM 595 N ASP A 40 -7.889 12.997 -12.432 1.00 0.00 N ATOM 596 CA ASP A 40 -8.847 13.753 -13.232 1.00 0.00 C ATOM 597 C ASP A 40 -10.134 12.966 -13.488 1.00 0.00 C ATOM 598 O ASP A 40 -11.183 13.563 -13.719 1.00 0.00 O ATOM 599 CB ASP A 40 -8.226 14.167 -14.567 1.00 0.00 C ATOM 600 CG ASP A 40 -8.010 12.994 -15.498 1.00 0.00 C ATOM 601 OD1 ASP A 40 -7.180 12.119 -15.177 1.00 0.00 O ATOM 602 OD2 ASP A 40 -8.667 12.944 -16.562 1.00 0.00 O ATOM 0 H ASP A 40 -7.592 12.114 -12.847 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.106 14.643 -12.658 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.873 14.897 -15.053 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.271 14.660 -14.382 1.00 0.00 H new ATOM 607 N ALA A 41 -10.064 11.637 -13.440 1.00 0.00 N ATOM 608 CA ALA A 41 -11.237 10.802 -13.709 1.00 0.00 C ATOM 609 C ALA A 41 -11.023 9.371 -13.231 1.00 0.00 C ATOM 610 O ALA A 41 -9.891 8.941 -13.017 1.00 0.00 O ATOM 611 CB ALA A 41 -11.572 10.811 -15.194 1.00 0.00 C ATOM 0 H ALA A 41 -9.215 11.117 -13.219 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.075 11.224 -13.154 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.446 10.185 -15.374 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.785 11.831 -15.513 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.725 10.423 -15.760 1.00 0.00 H new ATOM 617 N VAL A 42 -12.116 8.640 -13.062 1.00 0.00 N ATOM 618 CA VAL A 42 -12.049 7.254 -12.622 1.00 0.00 C ATOM 619 C VAL A 42 -12.312 6.312 -13.790 1.00 0.00 C ATOM 620 O VAL A 42 -13.304 6.463 -14.507 1.00 0.00 O ATOM 621 CB VAL A 42 -13.071 6.969 -11.501 1.00 0.00 C ATOM 622 CG1 VAL A 42 -12.931 5.544 -10.985 1.00 0.00 C ATOM 623 CG2 VAL A 42 -12.910 7.969 -10.367 1.00 0.00 C ATOM 0 H VAL A 42 -13.062 8.985 -13.224 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.046 7.084 -12.232 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.072 7.078 -11.918 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.662 5.369 -10.196 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.103 4.843 -11.802 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.927 5.398 -10.587 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.638 7.753 -9.585 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.903 7.894 -9.956 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.073 8.978 -10.746 1.00 0.00 H new ATOM 633 N TRP A 43 -11.422 5.349 -13.981 1.00 0.00 N ATOM 634 CA TRP A 43 -11.562 4.374 -15.055 1.00 0.00 C ATOM 635 C TRP A 43 -11.420 2.954 -14.509 1.00 0.00 C ATOM 636 O TRP A 43 -11.127 2.761 -13.328 1.00 0.00 O ATOM 637 CB TRP A 43 -10.520 4.631 -16.148 1.00 0.00 C ATOM 638 CG TRP A 43 -10.732 5.924 -16.879 1.00 0.00 C ATOM 639 CD1 TRP A 43 -10.117 7.119 -16.635 1.00 0.00 C ATOM 640 CD2 TRP A 43 -11.627 6.149 -17.975 1.00 0.00 C ATOM 641 NE1 TRP A 43 -10.578 8.074 -17.512 1.00 0.00 N ATOM 642 CE2 TRP A 43 -11.506 7.502 -18.342 1.00 0.00 C ATOM 643 CE3 TRP A 43 -12.522 5.337 -18.677 1.00 0.00 C ATOM 644 CZ2 TRP A 43 -12.242 8.059 -19.385 1.00 0.00 C ATOM 645 CZ3 TRP A 43 -13.253 5.891 -19.712 1.00 0.00 C ATOM 646 CH2 TRP A 43 -13.110 7.241 -20.057 1.00 0.00 C ATOM 0 H TRP A 43 -10.591 5.221 -13.404 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.556 4.480 -15.490 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.527 4.634 -15.699 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.544 3.809 -16.864 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.377 7.289 -15.867 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -10.278 9.048 -17.540 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -12.641 4.296 -18.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.132 9.099 -19.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.946 5.272 -20.263 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -13.696 7.645 -20.869 1.00 0.00 H new ATOM 657 N GLY A 44 -11.632 1.965 -15.367 1.00 0.00 N ATOM 658 CA GLY A 44 -11.534 0.582 -14.940 1.00 0.00 C ATOM 659 C GLY A 44 -10.154 0.002 -15.180 1.00 0.00 C ATOM 660 O GLY A 44 -9.415 0.483 -16.043 1.00 0.00 O ATOM 0 H GLY A 44 -11.870 2.095 -16.350 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.775 0.514 -13.879 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.274 -0.014 -15.474 1.00 0.00 H new ATOM 664 N TRP A 45 -9.806 -1.029 -14.420 1.00 0.00 N ATOM 665 CA TRP A 45 -8.511 -1.679 -14.556 1.00 0.00 C ATOM 666 C TRP A 45 -8.703 -3.188 -14.645 1.00 0.00 C ATOM 667 O TRP A 45 -9.276 -3.804 -13.744 1.00 0.00 O ATOM 668 CB TRP A 45 -7.611 -1.321 -13.370 1.00 0.00 C ATOM 669 CG TRP A 45 -6.175 -1.700 -13.571 1.00 0.00 C ATOM 670 CD1 TRP A 45 -5.466 -1.635 -14.736 1.00 0.00 C ATOM 671 CD2 TRP A 45 -5.267 -2.180 -12.574 1.00 0.00 C ATOM 672 NE1 TRP A 45 -4.176 -2.053 -14.526 1.00 0.00 N ATOM 673 CE2 TRP A 45 -4.028 -2.391 -13.206 1.00 0.00 C ATOM 674 CE3 TRP A 45 -5.382 -2.451 -11.207 1.00 0.00 C ATOM 675 CZ2 TRP A 45 -2.913 -2.864 -12.517 1.00 0.00 C ATOM 676 CZ3 TRP A 45 -4.274 -2.920 -10.527 1.00 0.00 C ATOM 677 CH2 TRP A 45 -3.055 -3.119 -11.181 1.00 0.00 C ATOM 0 H TRP A 45 -10.406 -1.433 -13.701 1.00 0.00 H new ATOM 0 HA TRP A 45 -8.028 -1.330 -15.469 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -7.673 -0.248 -13.188 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.988 -1.818 -12.476 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -5.863 -1.303 -15.684 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.446 -2.104 -15.237 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -6.319 -2.297 -10.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -1.971 -3.023 -13.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -4.351 -3.137 -9.472 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -2.207 -3.482 -10.619 1.00 0.00 H new ATOM 688 N ASP A 46 -8.221 -3.783 -15.726 1.00 0.00 N ATOM 689 CA ASP A 46 -8.488 -5.190 -15.991 1.00 0.00 C ATOM 690 C ASP A 46 -7.414 -6.097 -15.396 1.00 0.00 C ATOM 691 O ASP A 46 -6.549 -6.614 -16.102 1.00 0.00 O ATOM 692 CB ASP A 46 -8.630 -5.444 -17.492 1.00 0.00 C ATOM 693 CG ASP A 46 -9.050 -6.869 -17.797 1.00 0.00 C ATOM 694 OD1 ASP A 46 -10.191 -7.247 -17.451 1.00 0.00 O ATOM 695 OD2 ASP A 46 -8.245 -7.620 -18.387 1.00 0.00 O ATOM 0 H ASP A 46 -7.647 -3.318 -16.430 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.432 -5.435 -15.504 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.365 -4.754 -17.907 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.681 -5.234 -17.985 1.00 0.00 H new ATOM 700 N VAL A 47 -7.457 -6.241 -14.082 1.00 0.00 N ATOM 701 CA VAL A 47 -6.670 -7.243 -13.377 1.00 0.00 C ATOM 702 C VAL A 47 -7.578 -7.914 -12.361 1.00 0.00 C ATOM 703 O VAL A 47 -8.081 -7.262 -11.446 1.00 0.00 O ATOM 704 CB VAL A 47 -5.432 -6.649 -12.657 1.00 0.00 C ATOM 705 CG1 VAL A 47 -4.626 -7.746 -11.966 1.00 0.00 C ATOM 706 CG2 VAL A 47 -4.552 -5.887 -13.636 1.00 0.00 C ATOM 0 H VAL A 47 -8.039 -5.667 -13.472 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.287 -7.953 -14.110 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.789 -5.953 -11.898 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.763 -7.304 -11.468 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.252 -8.248 -11.229 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.286 -8.470 -12.707 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.690 -5.479 -13.109 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.211 -6.562 -14.421 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.124 -5.073 -14.081 1.00 0.00 H new ATOM 716 N THR A 48 -7.810 -9.199 -12.540 1.00 0.00 N ATOM 717 CA THR A 48 -8.811 -9.903 -11.762 1.00 0.00 C ATOM 718 C THR A 48 -8.265 -10.361 -10.413 1.00 0.00 C ATOM 719 O THR A 48 -8.991 -10.407 -9.420 1.00 0.00 O ATOM 720 CB THR A 48 -9.340 -11.121 -12.539 1.00 0.00 C ATOM 721 OG1 THR A 48 -9.622 -10.743 -13.895 1.00 0.00 O ATOM 722 CG2 THR A 48 -10.601 -11.672 -11.890 1.00 0.00 C ATOM 0 H THR A 48 -7.318 -9.779 -13.219 1.00 0.00 H new ATOM 0 HA THR A 48 -9.625 -9.202 -11.580 1.00 0.00 H new ATOM 0 HB THR A 48 -8.576 -11.898 -12.525 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.957 -11.521 -14.388 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.956 -12.532 -12.457 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.380 -11.978 -10.867 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.372 -10.901 -11.880 1.00 0.00 H new ATOM 730 N LYS A 49 -6.984 -10.689 -10.372 1.00 0.00 N ATOM 731 CA LYS A 49 -6.394 -11.232 -9.160 1.00 0.00 C ATOM 732 C LYS A 49 -5.017 -10.625 -8.915 1.00 0.00 C ATOM 733 O LYS A 49 -4.157 -10.644 -9.800 1.00 0.00 O ATOM 734 CB LYS A 49 -6.314 -12.757 -9.275 1.00 0.00 C ATOM 735 CG LYS A 49 -6.057 -13.475 -7.959 1.00 0.00 C ATOM 736 CD LYS A 49 -6.397 -14.956 -8.065 1.00 0.00 C ATOM 737 CE LYS A 49 -7.869 -15.161 -8.403 1.00 0.00 C ATOM 738 NZ LYS A 49 -8.212 -16.596 -8.582 1.00 0.00 N ATOM 0 H LYS A 49 -6.338 -10.590 -11.156 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.021 -10.976 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.247 -13.126 -9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.520 -13.015 -9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.011 -13.359 -7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.653 -13.018 -7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.777 -15.420 -8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.165 -15.453 -7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.484 -14.739 -7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.109 -14.616 -9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.223 -16.685 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.645 -16.994 -9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.008 -17.114 -7.703 1.00 0.00 H new ATOM 752 N PRO A 50 -4.806 -10.055 -7.715 1.00 0.00 N ATOM 753 CA PRO A 50 -3.532 -9.434 -7.337 1.00 0.00 C ATOM 754 C PRO A 50 -2.384 -10.435 -7.318 1.00 0.00 C ATOM 755 O PRO A 50 -2.141 -11.114 -6.316 1.00 0.00 O ATOM 756 CB PRO A 50 -3.791 -8.877 -5.933 1.00 0.00 C ATOM 757 CG PRO A 50 -4.973 -9.632 -5.426 1.00 0.00 C ATOM 758 CD PRO A 50 -5.804 -9.962 -6.633 1.00 0.00 C ATOM 0 HA PRO A 50 -3.229 -8.669 -8.052 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.925 -9.020 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.992 -7.806 -5.965 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.663 -10.539 -4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.541 -9.034 -4.713 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.347 -10.899 -6.504 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.546 -9.189 -6.835 1.00 0.00 H new ATOM 766 N GLU A 51 -1.700 -10.525 -8.447 1.00 0.00 N ATOM 767 CA GLU A 51 -0.607 -11.464 -8.635 1.00 0.00 C ATOM 768 C GLU A 51 -0.038 -11.284 -10.030 1.00 0.00 C ATOM 769 O GLU A 51 1.166 -11.123 -10.216 1.00 0.00 O ATOM 770 CB GLU A 51 -1.102 -12.905 -8.471 1.00 0.00 C ATOM 771 CG GLU A 51 -0.016 -13.955 -8.634 1.00 0.00 C ATOM 772 CD GLU A 51 -0.574 -15.360 -8.649 1.00 0.00 C ATOM 773 OE1 GLU A 51 -0.877 -15.895 -7.564 1.00 0.00 O ATOM 774 OE2 GLU A 51 -0.720 -15.936 -9.749 1.00 0.00 O ATOM 0 H GLU A 51 -1.889 -9.944 -9.264 1.00 0.00 H new ATOM 0 HA GLU A 51 0.161 -11.271 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.552 -13.013 -7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.888 -13.094 -9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.527 -13.772 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.703 -13.861 -7.820 1.00 0.00 H new ATOM 781 N GLN A 52 -0.933 -11.277 -11.005 1.00 0.00 N ATOM 782 CA GLN A 52 -0.544 -11.212 -12.401 1.00 0.00 C ATOM 783 C GLN A 52 -0.591 -9.781 -12.918 1.00 0.00 C ATOM 784 O GLN A 52 -1.211 -9.490 -13.941 1.00 0.00 O ATOM 785 CB GLN A 52 -1.441 -12.128 -13.231 1.00 0.00 C ATOM 786 CG GLN A 52 -1.334 -13.589 -12.822 1.00 0.00 C ATOM 787 CD GLN A 52 0.071 -14.136 -12.991 1.00 0.00 C ATOM 788 OE1 GLN A 52 0.807 -13.730 -13.896 1.00 0.00 O ATOM 789 NE2 GLN A 52 0.465 -15.042 -12.112 1.00 0.00 N ATOM 0 H GLN A 52 -1.941 -11.316 -10.851 1.00 0.00 H new ATOM 0 HA GLN A 52 0.486 -11.555 -12.493 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.476 -11.803 -13.131 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.177 -12.030 -14.284 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.639 -13.695 -11.781 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.026 -14.182 -13.419 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.172 -15.352 -11.379 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.406 -15.431 -12.167 1.00 0.00 H new ATOM 798 N ILE A 53 0.058 -8.893 -12.189 1.00 0.00 N ATOM 799 CA ILE A 53 0.215 -7.514 -12.620 1.00 0.00 C ATOM 800 C ILE A 53 1.525 -7.371 -13.389 1.00 0.00 C ATOM 801 O ILE A 53 2.601 -7.612 -12.844 1.00 0.00 O ATOM 802 CB ILE A 53 0.206 -6.545 -11.418 1.00 0.00 C ATOM 803 CG1 ILE A 53 -1.056 -6.760 -10.575 1.00 0.00 C ATOM 804 CG2 ILE A 53 0.284 -5.104 -11.898 1.00 0.00 C ATOM 805 CD1 ILE A 53 -1.112 -5.908 -9.325 1.00 0.00 C ATOM 0 H ILE A 53 0.489 -9.103 -11.288 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.626 -7.257 -13.265 1.00 0.00 H new ATOM 0 HB ILE A 53 1.079 -6.750 -10.798 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.931 -6.546 -11.188 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.116 -7.810 -10.290 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.277 -4.433 -11.039 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.204 -4.958 -12.464 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.573 -4.886 -12.536 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.034 -6.118 -8.783 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.257 -6.138 -8.689 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.085 -4.854 -9.602 1.00 0.00 H new ATOM 817 N ASP A 54 1.430 -6.993 -14.655 1.00 0.00 N ATOM 818 CA ASP A 54 2.599 -6.942 -15.526 1.00 0.00 C ATOM 819 C ASP A 54 2.620 -5.637 -16.323 1.00 0.00 C ATOM 820 O ASP A 54 1.807 -4.745 -16.086 1.00 0.00 O ATOM 821 CB ASP A 54 2.607 -8.146 -16.476 1.00 0.00 C ATOM 822 CG ASP A 54 1.675 -7.972 -17.660 1.00 0.00 C ATOM 823 OD1 ASP A 54 0.439 -8.055 -17.482 1.00 0.00 O ATOM 824 OD2 ASP A 54 2.183 -7.753 -18.779 1.00 0.00 O ATOM 0 H ASP A 54 0.557 -6.717 -15.104 1.00 0.00 H new ATOM 0 HA ASP A 54 3.494 -6.980 -14.905 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.622 -8.308 -16.840 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.320 -9.040 -15.923 1.00 0.00 H new ATOM 829 N ARG A 55 3.536 -5.535 -17.280 1.00 0.00 N ATOM 830 CA ARG A 55 3.728 -4.298 -18.025 1.00 0.00 C ATOM 831 C ARG A 55 2.578 -4.042 -19.004 1.00 0.00 C ATOM 832 O ARG A 55 2.324 -2.899 -19.388 1.00 0.00 O ATOM 833 CB ARG A 55 5.070 -4.324 -18.766 1.00 0.00 C ATOM 834 CG ARG A 55 5.440 -2.984 -19.376 1.00 0.00 C ATOM 835 CD ARG A 55 6.880 -2.949 -19.856 1.00 0.00 C ATOM 836 NE ARG A 55 7.282 -1.587 -20.200 1.00 0.00 N ATOM 837 CZ ARG A 55 8.420 -1.018 -19.802 1.00 0.00 C ATOM 838 NH1 ARG A 55 9.365 -1.740 -19.214 1.00 0.00 N ATOM 839 NH2 ARG A 55 8.632 0.268 -20.035 1.00 0.00 N ATOM 0 H ARG A 55 4.157 -6.295 -17.558 1.00 0.00 H new ATOM 0 HA ARG A 55 3.737 -3.477 -17.308 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.854 -4.630 -18.074 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.029 -5.076 -19.554 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.775 -2.772 -20.213 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.286 -2.196 -18.639 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.536 -3.341 -19.079 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.994 -3.597 -20.725 1.00 0.00 H new ATOM 0 HE ARG A 55 6.651 -1.036 -20.782 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.224 -2.739 -19.063 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.233 -1.296 -18.913 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.925 0.822 -20.518 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.502 0.705 -19.731 1.00 0.00 H new ATOM 853 N TYR A 56 1.879 -5.097 -19.405 1.00 0.00 N ATOM 854 CA TYR A 56 0.745 -4.948 -20.313 1.00 0.00 C ATOM 855 C TYR A 56 -0.487 -4.462 -19.555 1.00 0.00 C ATOM 856 O TYR A 56 -1.318 -3.734 -20.097 1.00 0.00 O ATOM 857 CB TYR A 56 0.440 -6.268 -21.030 1.00 0.00 C ATOM 858 CG TYR A 56 -0.701 -6.178 -22.022 1.00 0.00 C ATOM 859 CD1 TYR A 56 -0.555 -5.480 -23.216 1.00 0.00 C ATOM 860 CD2 TYR A 56 -1.925 -6.787 -21.765 1.00 0.00 C ATOM 861 CE1 TYR A 56 -1.592 -5.394 -24.124 1.00 0.00 C ATOM 862 CE2 TYR A 56 -2.967 -6.707 -22.670 1.00 0.00 C ATOM 863 CZ TYR A 56 -2.796 -6.009 -23.849 1.00 0.00 C ATOM 864 OH TYR A 56 -3.831 -5.926 -24.757 1.00 0.00 O ATOM 0 H TYR A 56 2.074 -6.057 -19.120 1.00 0.00 H new ATOM 0 HA TYR A 56 1.010 -4.204 -21.064 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.337 -6.602 -21.552 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.202 -7.028 -20.286 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.385 -4.997 -23.437 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.064 -7.332 -20.843 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.461 -4.847 -25.046 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.910 -7.188 -22.456 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.608 -6.414 -24.413 1.00 0.00 H new ATOM 874 N SER A 57 -0.597 -4.856 -18.296 1.00 0.00 N ATOM 875 CA SER A 57 -1.705 -4.424 -17.461 1.00 0.00 C ATOM 876 C SER A 57 -1.417 -3.054 -16.846 1.00 0.00 C ATOM 877 O SER A 57 -2.333 -2.277 -16.572 1.00 0.00 O ATOM 878 CB SER A 57 -1.983 -5.472 -16.380 1.00 0.00 C ATOM 879 OG SER A 57 -0.786 -6.111 -15.970 1.00 0.00 O ATOM 0 H SER A 57 0.068 -5.474 -17.831 1.00 0.00 H new ATOM 0 HA SER A 57 -2.597 -4.325 -18.080 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.458 -4.997 -15.522 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.684 -6.215 -16.761 1.00 0.00 H new ATOM 0 HG SER A 57 -0.579 -6.844 -16.587 1.00 0.00 H new ATOM 885 N LEU A 58 -0.138 -2.750 -16.652 1.00 0.00 N ATOM 886 CA LEU A 58 0.277 -1.442 -16.153 1.00 0.00 C ATOM 887 C LEU A 58 0.556 -0.483 -17.306 1.00 0.00 C ATOM 888 O LEU A 58 1.066 0.617 -17.097 1.00 0.00 O ATOM 889 CB LEU A 58 1.530 -1.572 -15.281 1.00 0.00 C ATOM 890 CG LEU A 58 1.326 -2.277 -13.941 1.00 0.00 C ATOM 891 CD1 LEU A 58 2.657 -2.454 -13.228 1.00 0.00 C ATOM 892 CD2 LEU A 58 0.359 -1.490 -13.068 1.00 0.00 C ATOM 0 H LEU A 58 0.632 -3.394 -16.833 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.539 -1.041 -15.551 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.290 -2.113 -15.845 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.925 -0.574 -15.091 1.00 0.00 H new ATOM 0 HG LEU A 58 0.899 -3.262 -14.130 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.495 -2.958 -12.275 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.324 -3.054 -13.847 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.107 -1.477 -13.050 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.225 -2.006 -12.117 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.761 -0.493 -12.886 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.603 -1.406 -13.574 1.00 0.00 H new ATOM 904 N GLN A 59 0.200 -0.895 -18.518 1.00 0.00 N ATOM 905 CA GLN A 59 0.490 -0.111 -19.715 1.00 0.00 C ATOM 906 C GLN A 59 -0.213 1.245 -19.666 1.00 0.00 C ATOM 907 O GLN A 59 0.310 2.248 -20.156 1.00 0.00 O ATOM 908 CB GLN A 59 0.076 -0.892 -20.964 1.00 0.00 C ATOM 909 CG GLN A 59 0.572 -0.283 -22.265 1.00 0.00 C ATOM 910 CD GLN A 59 2.084 -0.131 -22.311 1.00 0.00 C ATOM 911 OE1 GLN A 59 2.606 0.769 -22.967 1.00 0.00 O ATOM 912 NE2 GLN A 59 2.801 -1.003 -21.615 1.00 0.00 N ATOM 0 H GLN A 59 -0.292 -1.770 -18.699 1.00 0.00 H new ATOM 0 HA GLN A 59 1.563 0.074 -19.756 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.454 -1.911 -20.885 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.012 -0.956 -20.996 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.250 -0.907 -23.098 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.110 0.695 -22.402 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.334 -1.737 -21.082 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.819 -0.940 -21.613 1.00 0.00 H new ATOM 921 N ARG A 60 -1.389 1.269 -19.049 1.00 0.00 N ATOM 922 CA ARG A 60 -2.127 2.511 -18.838 1.00 0.00 C ATOM 923 C ARG A 60 -1.320 3.494 -17.989 1.00 0.00 C ATOM 924 O ARG A 60 -1.422 4.708 -18.160 1.00 0.00 O ATOM 925 CB ARG A 60 -3.468 2.214 -18.162 1.00 0.00 C ATOM 926 CG ARG A 60 -4.602 1.940 -19.136 1.00 0.00 C ATOM 927 CD ARG A 60 -5.773 1.249 -18.450 1.00 0.00 C ATOM 928 NE ARG A 60 -7.010 1.338 -19.231 1.00 0.00 N ATOM 929 CZ ARG A 60 -7.284 0.592 -20.303 1.00 0.00 C ATOM 930 NH1 ARG A 60 -6.437 -0.341 -20.713 1.00 0.00 N ATOM 931 NH2 ARG A 60 -8.432 0.766 -20.948 1.00 0.00 N ATOM 0 H ARG A 60 -1.855 0.438 -18.684 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.306 2.970 -19.810 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.350 1.352 -17.506 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.741 3.060 -17.531 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.939 2.878 -19.576 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.239 1.317 -19.953 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.526 0.200 -18.284 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.932 1.698 -17.470 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.710 2.018 -18.934 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.564 -0.495 -20.208 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.658 -0.905 -21.534 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.098 1.467 -20.623 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.647 0.199 -21.768 1.00 0.00 H new ATOM 945 N VAL A 61 -0.504 2.957 -17.090 1.00 0.00 N ATOM 946 CA VAL A 61 0.299 3.778 -16.195 1.00 0.00 C ATOM 947 C VAL A 61 1.500 4.365 -16.930 1.00 0.00 C ATOM 948 O VAL A 61 1.841 5.529 -16.742 1.00 0.00 O ATOM 949 CB VAL A 61 0.795 2.964 -14.980 1.00 0.00 C ATOM 950 CG1 VAL A 61 1.635 3.831 -14.054 1.00 0.00 C ATOM 951 CG2 VAL A 61 -0.381 2.360 -14.226 1.00 0.00 C ATOM 0 H VAL A 61 -0.381 1.953 -16.962 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.339 4.587 -15.840 1.00 0.00 H new ATOM 0 HB VAL A 61 1.423 2.153 -15.348 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.973 3.236 -13.206 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.500 4.212 -14.597 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.035 4.667 -13.695 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.012 1.790 -13.373 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.036 3.157 -13.874 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.938 1.700 -14.890 1.00 0.00 H new ATOM 961 N PHE A 62 2.124 3.556 -17.781 1.00 0.00 N ATOM 962 CA PHE A 62 3.310 3.988 -18.515 1.00 0.00 C ATOM 963 C PHE A 62 2.998 5.154 -19.448 1.00 0.00 C ATOM 964 O PHE A 62 3.848 6.015 -19.684 1.00 0.00 O ATOM 965 CB PHE A 62 3.907 2.827 -19.314 1.00 0.00 C ATOM 966 CG PHE A 62 4.591 1.796 -18.460 1.00 0.00 C ATOM 967 CD1 PHE A 62 5.885 2.005 -18.009 1.00 0.00 C ATOM 968 CD2 PHE A 62 3.945 0.624 -18.110 1.00 0.00 C ATOM 969 CE1 PHE A 62 6.521 1.061 -17.225 1.00 0.00 C ATOM 970 CE2 PHE A 62 4.574 -0.323 -17.326 1.00 0.00 C ATOM 971 CZ PHE A 62 5.865 -0.104 -16.883 1.00 0.00 C ATOM 0 H PHE A 62 1.829 2.600 -17.979 1.00 0.00 H new ATOM 0 HA PHE A 62 4.040 4.326 -17.780 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.114 2.345 -19.885 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.623 3.223 -20.034 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.402 2.916 -18.273 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.937 0.447 -18.454 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.530 1.235 -16.881 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.058 -1.233 -17.059 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.359 -0.843 -16.270 1.00 0.00 H new ATOM 981 N ASP A 63 1.783 5.183 -19.978 1.00 0.00 N ATOM 982 CA ASP A 63 1.374 6.268 -20.866 1.00 0.00 C ATOM 983 C ASP A 63 1.054 7.520 -20.063 1.00 0.00 C ATOM 984 O ASP A 63 1.573 8.603 -20.340 1.00 0.00 O ATOM 985 CB ASP A 63 0.154 5.864 -21.698 1.00 0.00 C ATOM 986 CG ASP A 63 -0.253 6.937 -22.695 1.00 0.00 C ATOM 987 OD1 ASP A 63 -0.956 7.893 -22.304 1.00 0.00 O ATOM 988 OD2 ASP A 63 0.122 6.822 -23.884 1.00 0.00 O ATOM 0 H ASP A 63 1.067 4.476 -19.812 1.00 0.00 H new ATOM 0 HA ASP A 63 2.203 6.478 -21.542 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.373 4.940 -22.233 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.683 5.656 -21.032 1.00 0.00 H new ATOM 993 N ASN A 64 0.229 7.357 -19.037 1.00 0.00 N ATOM 994 CA ASN A 64 -0.251 8.484 -18.244 1.00 0.00 C ATOM 995 C ASN A 64 0.739 8.821 -17.125 1.00 0.00 C ATOM 996 O ASN A 64 0.400 9.493 -16.154 1.00 0.00 O ATOM 997 CB ASN A 64 -1.641 8.158 -17.673 1.00 0.00 C ATOM 998 CG ASN A 64 -2.394 9.390 -17.189 1.00 0.00 C ATOM 999 OD1 ASN A 64 -2.364 9.736 -16.009 1.00 0.00 O ATOM 1000 ND2 ASN A 64 -3.081 10.059 -18.102 1.00 0.00 N ATOM 0 H ASN A 64 -0.124 6.450 -18.732 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.333 9.362 -18.885 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.233 7.656 -18.438 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.532 7.458 -16.845 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.608 10.891 -17.836 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.083 9.743 -19.072 1.00 0.00 H new ATOM 1007 N ALA A 65 1.986 8.392 -17.295 1.00 0.00 N ATOM 1008 CA ALA A 65 3.039 8.640 -16.309 1.00 0.00 C ATOM 1009 C ALA A 65 3.351 10.132 -16.188 1.00 0.00 C ATOM 1010 O ALA A 65 4.079 10.557 -15.295 1.00 0.00 O ATOM 1011 CB ALA A 65 4.293 7.867 -16.680 1.00 0.00 C ATOM 0 H ALA A 65 2.296 7.867 -18.112 1.00 0.00 H new ATOM 0 HA ALA A 65 2.680 8.296 -15.339 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.070 8.058 -15.940 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.069 6.800 -16.704 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.640 8.187 -17.662 1.00 0.00 H new ATOM 1017 N ASN A 66 2.797 10.917 -17.101 1.00 0.00 N ATOM 1018 CA ASN A 66 2.948 12.366 -17.068 1.00 0.00 C ATOM 1019 C ASN A 66 2.055 12.973 -15.988 1.00 0.00 C ATOM 1020 O ASN A 66 2.308 14.077 -15.504 1.00 0.00 O ATOM 1021 CB ASN A 66 2.609 12.972 -18.436 1.00 0.00 C ATOM 1022 CG ASN A 66 1.226 12.578 -18.926 1.00 0.00 C ATOM 1023 OD1 ASN A 66 0.234 13.238 -18.627 1.00 0.00 O ATOM 1024 ND2 ASN A 66 1.153 11.495 -19.690 1.00 0.00 N ATOM 0 H ASN A 66 2.235 10.572 -17.879 1.00 0.00 H new ATOM 0 HA ASN A 66 3.987 12.597 -16.831 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.672 14.058 -18.373 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.353 12.652 -19.165 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.251 11.185 -20.050 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.999 10.973 -19.917 1.00 0.00 H new ATOM 1031 N ALA A 67 1.013 12.242 -15.615 1.00 0.00 N ATOM 1032 CA ALA A 67 0.101 12.685 -14.570 1.00 0.00 C ATOM 1033 C ALA A 67 0.224 11.790 -13.342 1.00 0.00 C ATOM 1034 O ALA A 67 -0.026 12.223 -12.213 1.00 0.00 O ATOM 1035 CB ALA A 67 -1.331 12.700 -15.084 1.00 0.00 C ATOM 0 H ALA A 67 0.778 11.337 -16.022 1.00 0.00 H new ATOM 0 HA ALA A 67 0.371 13.701 -14.282 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.999 13.034 -14.290 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.406 13.381 -15.932 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.615 11.696 -15.399 1.00 0.00 H new ATOM 1041 N ILE A 68 0.605 10.539 -13.569 1.00 0.00 N ATOM 1042 CA ILE A 68 0.818 9.597 -12.484 1.00 0.00 C ATOM 1043 C ILE A 68 2.254 9.692 -11.974 1.00 0.00 C ATOM 1044 O ILE A 68 3.146 8.996 -12.455 1.00 0.00 O ATOM 1045 CB ILE A 68 0.524 8.141 -12.920 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -0.897 8.028 -13.482 1.00 0.00 C ATOM 1047 CG2 ILE A 68 0.710 7.187 -11.747 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -1.230 6.652 -14.020 1.00 0.00 C ATOM 0 H ILE A 68 0.773 10.155 -14.499 1.00 0.00 H new ATOM 0 HA ILE A 68 0.124 9.861 -11.686 1.00 0.00 H new ATOM 0 HB ILE A 68 1.229 7.865 -13.704 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.610 8.285 -12.698 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.022 8.761 -14.279 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.499 6.168 -12.070 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.737 7.249 -11.387 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.027 7.461 -10.943 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.251 6.648 -14.401 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.541 6.400 -14.826 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.138 5.917 -13.221 1.00 0.00 H new ATOM 1060 N ASP A 69 2.468 10.593 -11.031 1.00 0.00 N ATOM 1061 CA ASP A 69 3.776 10.747 -10.401 1.00 0.00 C ATOM 1062 C ASP A 69 3.935 9.717 -9.294 1.00 0.00 C ATOM 1063 O ASP A 69 4.850 8.896 -9.309 1.00 0.00 O ATOM 1064 CB ASP A 69 3.929 12.161 -9.841 1.00 0.00 C ATOM 1065 CG ASP A 69 5.259 12.387 -9.146 1.00 0.00 C ATOM 1066 OD1 ASP A 69 6.238 12.741 -9.833 1.00 0.00 O ATOM 1067 OD2 ASP A 69 5.313 12.251 -7.903 1.00 0.00 O ATOM 0 H ASP A 69 1.754 11.232 -10.681 1.00 0.00 H new ATOM 0 HA ASP A 69 4.554 10.587 -11.147 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.824 12.880 -10.653 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.120 12.356 -9.136 1.00 0.00 H new ATOM 1072 N THR A 70 3.019 9.761 -8.341 1.00 0.00 N ATOM 1073 CA THR A 70 2.994 8.795 -7.264 1.00 0.00 C ATOM 1074 C THR A 70 1.870 7.787 -7.507 1.00 0.00 C ATOM 1075 O THR A 70 0.713 8.171 -7.684 1.00 0.00 O ATOM 1076 CB THR A 70 2.787 9.502 -5.911 1.00 0.00 C ATOM 1077 OG1 THR A 70 3.728 10.581 -5.786 1.00 0.00 O ATOM 1078 CG2 THR A 70 2.962 8.530 -4.754 1.00 0.00 C ATOM 0 H THR A 70 2.279 10.462 -8.295 1.00 0.00 H new ATOM 0 HA THR A 70 3.949 8.271 -7.236 1.00 0.00 H new ATOM 0 HB THR A 70 1.770 9.892 -5.876 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.596 11.032 -4.926 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.810 9.056 -3.811 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.233 7.725 -4.842 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.968 8.112 -4.779 1.00 0.00 H new ATOM 1086 N LEU A 71 2.214 6.509 -7.542 1.00 0.00 N ATOM 1087 CA LEU A 71 1.228 5.472 -7.820 1.00 0.00 C ATOM 1088 C LEU A 71 1.047 4.558 -6.617 1.00 0.00 C ATOM 1089 O LEU A 71 2.016 4.028 -6.070 1.00 0.00 O ATOM 1090 CB LEU A 71 1.646 4.655 -9.047 1.00 0.00 C ATOM 1091 CG LEU A 71 0.648 3.575 -9.483 1.00 0.00 C ATOM 1092 CD1 LEU A 71 -0.674 4.194 -9.907 1.00 0.00 C ATOM 1093 CD2 LEU A 71 1.231 2.743 -10.614 1.00 0.00 C ATOM 0 H LEU A 71 3.161 6.165 -7.383 1.00 0.00 H new ATOM 0 HA LEU A 71 0.274 5.957 -8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.805 5.338 -9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.604 4.179 -8.838 1.00 0.00 H new ATOM 0 HG LEU A 71 0.458 2.924 -8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.363 3.407 -10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.101 4.747 -9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.506 4.873 -10.743 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.512 1.981 -10.913 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.451 3.388 -11.465 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.149 2.263 -10.276 1.00 0.00 H new ATOM 1105 N ILE A 72 -0.202 4.383 -6.213 1.00 0.00 N ATOM 1106 CA ILE A 72 -0.539 3.508 -5.104 1.00 0.00 C ATOM 1107 C ILE A 72 -1.388 2.345 -5.602 1.00 0.00 C ATOM 1108 O ILE A 72 -2.428 2.552 -6.231 1.00 0.00 O ATOM 1109 CB ILE A 72 -1.308 4.269 -4.000 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -0.441 5.388 -3.416 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -1.761 3.315 -2.901 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -1.142 6.212 -2.357 1.00 0.00 C ATOM 0 H ILE A 72 -1.005 4.841 -6.643 1.00 0.00 H new ATOM 0 HA ILE A 72 0.392 3.133 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.194 4.717 -4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.460 4.950 -2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.121 6.047 -4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.300 3.872 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.417 2.555 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.890 2.834 -2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.466 6.984 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.028 6.679 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.438 5.566 -1.530 1.00 0.00 H new ATOM 1124 N VAL A 73 -0.937 1.127 -5.340 1.00 0.00 N ATOM 1125 CA VAL A 73 -1.678 -0.060 -5.744 1.00 0.00 C ATOM 1126 C VAL A 73 -2.115 -0.860 -4.525 1.00 0.00 C ATOM 1127 O VAL A 73 -1.287 -1.295 -3.723 1.00 0.00 O ATOM 1128 CB VAL A 73 -0.847 -0.971 -6.676 1.00 0.00 C ATOM 1129 CG1 VAL A 73 -1.600 -2.255 -6.997 1.00 0.00 C ATOM 1130 CG2 VAL A 73 -0.483 -0.243 -7.958 1.00 0.00 C ATOM 0 H VAL A 73 -0.063 0.934 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.554 0.286 -6.292 1.00 0.00 H new ATOM 0 HB VAL A 73 0.072 -1.233 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.993 -2.878 -7.654 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.807 -2.796 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.539 -2.012 -7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.102 -0.904 -8.598 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.393 0.055 -8.478 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.104 0.643 -7.719 1.00 0.00 H new ATOM 1140 N GLY A 74 -3.421 -1.039 -4.395 1.00 0.00 N ATOM 1141 CA GLY A 74 -3.959 -1.838 -3.316 1.00 0.00 C ATOM 1142 C GLY A 74 -4.213 -3.259 -3.767 1.00 0.00 C ATOM 1143 O GLY A 74 -5.127 -3.506 -4.550 1.00 0.00 O ATOM 0 H GLY A 74 -4.121 -0.642 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.263 -1.838 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.889 -1.395 -2.959 1.00 0.00 H new ATOM 1147 N THR A 75 -3.406 -4.189 -3.282 1.00 0.00 N ATOM 1148 CA THR A 75 -3.469 -5.575 -3.727 1.00 0.00 C ATOM 1149 C THR A 75 -4.470 -6.394 -2.907 1.00 0.00 C ATOM 1150 O THR A 75 -4.316 -7.606 -2.743 1.00 0.00 O ATOM 1151 CB THR A 75 -2.072 -6.220 -3.656 1.00 0.00 C ATOM 1152 OG1 THR A 75 -1.486 -5.996 -2.366 1.00 0.00 O ATOM 1153 CG2 THR A 75 -1.164 -5.642 -4.730 1.00 0.00 C ATOM 0 H THR A 75 -2.694 -4.008 -2.574 1.00 0.00 H new ATOM 0 HA THR A 75 -3.815 -5.572 -4.761 1.00 0.00 H new ATOM 0 HB THR A 75 -2.183 -7.292 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.616 -6.789 -1.805 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.181 -6.109 -4.665 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.594 -5.836 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.065 -4.567 -4.583 1.00 0.00 H new ATOM 1161 N GLY A 76 -5.505 -5.732 -2.416 1.00 0.00 N ATOM 1162 CA GLY A 76 -6.527 -6.411 -1.652 1.00 0.00 C ATOM 1163 C GLY A 76 -6.159 -6.535 -0.190 1.00 0.00 C ATOM 1164 O GLY A 76 -5.710 -5.569 0.430 1.00 0.00 O ATOM 0 H GLY A 76 -5.655 -4.730 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.468 -5.868 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.691 -7.405 -2.069 1.00 0.00 H new ATOM 1168 N ALA A 77 -6.344 -7.727 0.358 1.00 0.00 N ATOM 1169 CA ALA A 77 -6.022 -7.984 1.754 1.00 0.00 C ATOM 1170 C ALA A 77 -4.622 -8.565 1.887 1.00 0.00 C ATOM 1171 O ALA A 77 -4.020 -8.535 2.962 1.00 0.00 O ATOM 1172 CB ALA A 77 -7.048 -8.926 2.370 1.00 0.00 C ATOM 0 H ALA A 77 -6.716 -8.533 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.051 -7.036 2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.794 -9.109 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.038 -8.474 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.048 -9.871 1.826 1.00 0.00 H new ATOM 1178 N ASP A 78 -4.101 -9.085 0.784 1.00 0.00 N ATOM 1179 CA ASP A 78 -2.780 -9.693 0.779 1.00 0.00 C ATOM 1180 C ASP A 78 -1.767 -8.696 0.235 1.00 0.00 C ATOM 1181 O ASP A 78 -2.145 -7.712 -0.401 1.00 0.00 O ATOM 1182 CB ASP A 78 -2.784 -10.970 -0.066 1.00 0.00 C ATOM 1183 CG ASP A 78 -1.565 -11.834 0.187 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -1.598 -12.645 1.136 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -0.576 -11.708 -0.557 1.00 0.00 O ATOM 0 H ASP A 78 -4.575 -9.097 -0.119 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.504 -9.962 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.684 -11.544 0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.824 -10.703 -1.122 1.00 0.00 H new ATOM 1190 N VAL A 79 -0.492 -8.936 0.490 1.00 0.00 N ATOM 1191 CA VAL A 79 0.549 -8.001 0.094 1.00 0.00 C ATOM 1192 C VAL A 79 1.383 -8.551 -1.055 1.00 0.00 C ATOM 1193 O VAL A 79 2.171 -9.486 -0.875 1.00 0.00 O ATOM 1194 CB VAL A 79 1.474 -7.645 1.276 1.00 0.00 C ATOM 1195 CG1 VAL A 79 2.514 -6.612 0.859 1.00 0.00 C ATOM 1196 CG2 VAL A 79 0.664 -7.141 2.461 1.00 0.00 C ATOM 0 H VAL A 79 -0.152 -9.770 0.969 1.00 0.00 H new ATOM 0 HA VAL A 79 0.043 -7.095 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 79 1.998 -8.551 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.155 -6.377 1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.121 -7.014 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.011 -5.705 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.336 -6.896 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.108 -6.250 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.033 -7.915 2.781 1.00 0.00 H new ATOM 1206 N TRP A 80 1.196 -7.982 -2.233 1.00 0.00 N ATOM 1207 CA TRP A 80 2.013 -8.320 -3.388 1.00 0.00 C ATOM 1208 C TRP A 80 2.999 -7.191 -3.650 1.00 0.00 C ATOM 1209 O TRP A 80 2.606 -6.076 -3.995 1.00 0.00 O ATOM 1210 CB TRP A 80 1.126 -8.570 -4.616 1.00 0.00 C ATOM 1211 CG TRP A 80 1.887 -8.949 -5.853 1.00 0.00 C ATOM 1212 CD1 TRP A 80 2.347 -10.192 -6.185 1.00 0.00 C ATOM 1213 CD2 TRP A 80 2.268 -8.081 -6.928 1.00 0.00 C ATOM 1214 NE1 TRP A 80 2.993 -10.147 -7.396 1.00 0.00 N ATOM 1215 CE2 TRP A 80 2.958 -8.865 -7.872 1.00 0.00 C ATOM 1216 CE3 TRP A 80 2.094 -6.718 -7.184 1.00 0.00 C ATOM 1217 CZ2 TRP A 80 3.473 -8.332 -9.049 1.00 0.00 C ATOM 1218 CZ3 TRP A 80 2.607 -6.189 -8.354 1.00 0.00 C ATOM 1219 CH2 TRP A 80 3.289 -6.996 -9.274 1.00 0.00 C ATOM 0 H TRP A 80 0.480 -7.279 -2.417 1.00 0.00 H new ATOM 0 HA TRP A 80 2.568 -9.236 -3.187 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.415 -9.362 -4.382 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.545 -7.671 -4.821 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.221 -11.080 -5.583 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.429 -10.941 -7.865 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.568 -6.089 -6.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.000 -8.951 -9.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.480 -5.137 -8.562 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.677 -6.554 -10.180 1.00 0.00 H new ATOM 1230 N ILE A 81 4.278 -7.467 -3.456 1.00 0.00 N ATOM 1231 CA ILE A 81 5.308 -6.460 -3.632 1.00 0.00 C ATOM 1232 C ILE A 81 5.769 -6.407 -5.088 1.00 0.00 C ATOM 1233 O ILE A 81 5.972 -7.445 -5.723 1.00 0.00 O ATOM 1234 CB ILE A 81 6.515 -6.709 -2.690 1.00 0.00 C ATOM 1235 CG1 ILE A 81 7.581 -5.622 -2.858 1.00 0.00 C ATOM 1236 CG2 ILE A 81 7.119 -8.086 -2.926 1.00 0.00 C ATOM 1237 CD1 ILE A 81 7.107 -4.239 -2.464 1.00 0.00 C ATOM 0 H ILE A 81 4.627 -8.383 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 81 4.873 -5.496 -3.368 1.00 0.00 H new ATOM 0 HB ILE A 81 6.145 -6.668 -1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.452 -5.883 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 81 7.907 -5.602 -3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.963 -8.233 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.366 -8.851 -2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.461 -8.161 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.915 -3.522 -2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.255 -3.956 -3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.809 -4.242 -1.416 1.00 0.00 H new ATOM 1249 N ALA A 82 5.890 -5.197 -5.620 1.00 0.00 N ATOM 1250 CA ALA A 82 6.361 -5.001 -6.983 1.00 0.00 C ATOM 1251 C ALA A 82 7.831 -5.386 -7.099 1.00 0.00 C ATOM 1252 O ALA A 82 8.677 -4.861 -6.366 1.00 0.00 O ATOM 1253 CB ALA A 82 6.150 -3.557 -7.415 1.00 0.00 C ATOM 0 H ALA A 82 5.667 -4.334 -5.125 1.00 0.00 H new ATOM 0 HA ALA A 82 5.784 -5.646 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.507 -3.427 -8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.088 -3.315 -7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.703 -2.894 -6.750 1.00 0.00 H new ATOM 1259 N PRO A 83 8.147 -6.314 -8.018 1.00 0.00 N ATOM 1260 CA PRO A 83 9.514 -6.804 -8.227 1.00 0.00 C ATOM 1261 C PRO A 83 10.486 -5.682 -8.581 1.00 0.00 C ATOM 1262 O PRO A 83 10.083 -4.633 -9.093 1.00 0.00 O ATOM 1263 CB PRO A 83 9.375 -7.780 -9.401 1.00 0.00 C ATOM 1264 CG PRO A 83 7.938 -8.169 -9.412 1.00 0.00 C ATOM 1265 CD PRO A 83 7.187 -6.963 -8.928 1.00 0.00 C ATOM 0 HA PRO A 83 9.921 -7.260 -7.325 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.664 -7.310 -10.341 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.018 -8.650 -9.269 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.617 -8.454 -10.414 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.760 -9.027 -8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.905 -6.307 -9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.268 -7.241 -8.413 1.00 0.00 H new ATOM 1273 N ARG A 84 11.764 -5.913 -8.316 1.00 0.00 N ATOM 1274 CA ARG A 84 12.791 -4.908 -8.550 1.00 0.00 C ATOM 1275 C ARG A 84 12.885 -4.559 -10.029 1.00 0.00 C ATOM 1276 O ARG A 84 12.934 -3.386 -10.386 1.00 0.00 O ATOM 1277 CB ARG A 84 14.145 -5.401 -8.034 1.00 0.00 C ATOM 1278 CG ARG A 84 15.300 -4.460 -8.348 1.00 0.00 C ATOM 1279 CD ARG A 84 16.600 -4.952 -7.736 1.00 0.00 C ATOM 1280 NE ARG A 84 16.585 -4.862 -6.276 1.00 0.00 N ATOM 1281 CZ ARG A 84 17.195 -5.725 -5.463 1.00 0.00 C ATOM 1282 NH1 ARG A 84 17.830 -6.781 -5.957 1.00 0.00 N ATOM 1283 NH2 ARG A 84 17.174 -5.524 -4.153 1.00 0.00 N ATOM 0 H ARG A 84 12.116 -6.792 -7.937 1.00 0.00 H new ATOM 0 HA ARG A 84 12.513 -4.006 -8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.084 -5.539 -6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.356 -6.378 -8.469 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.416 -4.372 -9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.072 -3.464 -7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.773 -5.986 -8.034 1.00 0.00 H new ATOM 0 HD3 ARG A 84 17.431 -4.364 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 84 16.074 -4.088 -5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.854 -6.937 -6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 84 18.294 -7.437 -5.329 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.692 -4.711 -3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.640 -6.182 -3.528 1.00 0.00 H new ATOM 1297 N GLN A 85 12.891 -5.576 -10.883 1.00 0.00 N ATOM 1298 CA GLN A 85 12.984 -5.365 -12.326 1.00 0.00 C ATOM 1299 C GLN A 85 11.853 -4.461 -12.818 1.00 0.00 C ATOM 1300 O GLN A 85 12.068 -3.568 -13.642 1.00 0.00 O ATOM 1301 CB GLN A 85 12.954 -6.704 -13.068 1.00 0.00 C ATOM 1302 CG GLN A 85 14.167 -7.584 -12.793 1.00 0.00 C ATOM 1303 CD GLN A 85 15.464 -6.973 -13.294 1.00 0.00 C ATOM 1304 OE1 GLN A 85 15.477 -6.233 -14.278 1.00 0.00 O ATOM 1305 NE2 GLN A 85 16.566 -7.287 -12.631 1.00 0.00 N ATOM 0 H GLN A 85 12.833 -6.555 -10.603 1.00 0.00 H new ATOM 0 HA GLN A 85 13.933 -4.872 -12.535 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.052 -7.246 -12.785 1.00 0.00 H new ATOM 0 HB3 GLN A 85 12.889 -6.514 -14.139 1.00 0.00 H new ATOM 0 HG2 GLN A 85 14.245 -7.762 -11.720 1.00 0.00 H new ATOM 0 HG3 GLN A 85 14.021 -8.554 -13.267 1.00 0.00 H new ATOM 0 HE21 GLN A 85 16.515 -7.904 -11.820 1.00 0.00 H new ATOM 0 HE22 GLN A 85 17.466 -6.912 -12.931 1.00 0.00 H new ATOM 1314 N LEU A 86 10.652 -4.689 -12.294 1.00 0.00 N ATOM 1315 CA LEU A 86 9.502 -3.860 -12.627 1.00 0.00 C ATOM 1316 C LEU A 86 9.687 -2.449 -12.074 1.00 0.00 C ATOM 1317 O LEU A 86 9.451 -1.463 -12.769 1.00 0.00 O ATOM 1318 CB LEU A 86 8.217 -4.480 -12.066 1.00 0.00 C ATOM 1319 CG LEU A 86 6.924 -3.738 -12.415 1.00 0.00 C ATOM 1320 CD1 LEU A 86 6.680 -3.760 -13.918 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.745 -4.348 -11.671 1.00 0.00 C ATOM 0 H LEU A 86 10.452 -5.442 -11.636 1.00 0.00 H new ATOM 0 HA LEU A 86 9.420 -3.804 -13.712 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.138 -5.504 -12.431 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.303 -4.534 -10.981 1.00 0.00 H new ATOM 0 HG LEU A 86 7.029 -2.699 -12.103 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.756 -3.227 -14.144 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.512 -3.276 -14.429 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.596 -4.792 -14.258 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.833 -3.809 -11.930 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.640 -5.396 -11.953 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.916 -4.276 -10.597 1.00 0.00 H new ATOM 1333 N ARG A 87 10.130 -2.365 -10.824 1.00 0.00 N ATOM 1334 CA ARG A 87 10.341 -1.082 -10.161 1.00 0.00 C ATOM 1335 C ARG A 87 11.394 -0.244 -10.886 1.00 0.00 C ATOM 1336 O ARG A 87 11.239 0.970 -11.025 1.00 0.00 O ATOM 1337 CB ARG A 87 10.739 -1.301 -8.697 1.00 0.00 C ATOM 1338 CG ARG A 87 11.212 -0.042 -7.990 1.00 0.00 C ATOM 1339 CD ARG A 87 11.130 -0.183 -6.480 1.00 0.00 C ATOM 1340 NE ARG A 87 9.766 0.015 -5.988 1.00 0.00 N ATOM 1341 CZ ARG A 87 9.335 -0.391 -4.795 1.00 0.00 C ATOM 1342 NH1 ARG A 87 10.128 -1.102 -4.001 1.00 0.00 N ATOM 1343 NH2 ARG A 87 8.101 -0.098 -4.403 1.00 0.00 N ATOM 0 H ARG A 87 10.351 -3.176 -10.246 1.00 0.00 H new ATOM 0 HA ARG A 87 9.402 -0.529 -10.192 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.885 -1.710 -8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.531 -2.049 -8.654 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.240 0.174 -8.280 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.605 0.805 -8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.481 -1.173 -6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.794 0.543 -6.011 1.00 0.00 H new ATOM 0 HE ARG A 87 9.103 0.494 -6.597 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.073 -1.340 -4.304 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.792 -1.410 -3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.485 0.437 -5.015 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.769 -0.408 -3.490 1.00 0.00 H new ATOM 1357 N GLU A 88 12.457 -0.893 -11.347 1.00 0.00 N ATOM 1358 CA GLU A 88 13.501 -0.211 -12.108 1.00 0.00 C ATOM 1359 C GLU A 88 12.917 0.422 -13.366 1.00 0.00 C ATOM 1360 O GLU A 88 13.201 1.582 -13.681 1.00 0.00 O ATOM 1361 CB GLU A 88 14.619 -1.186 -12.490 1.00 0.00 C ATOM 1362 CG GLU A 88 15.369 -1.759 -11.298 1.00 0.00 C ATOM 1363 CD GLU A 88 15.988 -0.683 -10.435 1.00 0.00 C ATOM 1364 OE1 GLU A 88 17.037 -0.129 -10.832 1.00 0.00 O ATOM 1365 OE2 GLU A 88 15.429 -0.376 -9.365 1.00 0.00 O ATOM 0 H GLU A 88 12.620 -1.890 -11.208 1.00 0.00 H new ATOM 0 HA GLU A 88 13.920 0.573 -11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.191 -2.006 -13.067 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.328 -0.674 -13.141 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.685 -2.356 -10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.151 -2.431 -11.653 1.00 0.00 H new ATOM 1372 N ALA A 89 12.093 -0.346 -14.070 1.00 0.00 N ATOM 1373 CA ALA A 89 11.438 0.134 -15.280 1.00 0.00 C ATOM 1374 C ALA A 89 10.506 1.302 -14.967 1.00 0.00 C ATOM 1375 O ALA A 89 10.496 2.307 -15.678 1.00 0.00 O ATOM 1376 CB ALA A 89 10.663 -0.996 -15.939 1.00 0.00 C ATOM 0 H ALA A 89 11.862 -1.308 -13.822 1.00 0.00 H new ATOM 0 HA ALA A 89 12.206 0.486 -15.969 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.178 -0.626 -16.842 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.348 -1.803 -16.200 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.907 -1.370 -15.248 1.00 0.00 H new ATOM 1382 N LEU A 90 9.737 1.160 -13.894 1.00 0.00 N ATOM 1383 CA LEU A 90 8.795 2.193 -13.469 1.00 0.00 C ATOM 1384 C LEU A 90 9.517 3.487 -13.109 1.00 0.00 C ATOM 1385 O LEU A 90 9.126 4.568 -13.547 1.00 0.00 O ATOM 1386 CB LEU A 90 7.986 1.700 -12.269 1.00 0.00 C ATOM 1387 CG LEU A 90 7.066 0.514 -12.551 1.00 0.00 C ATOM 1388 CD1 LEU A 90 6.585 -0.103 -11.250 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.883 0.950 -13.403 1.00 0.00 C ATOM 0 H LEU A 90 9.747 0.333 -13.297 1.00 0.00 H new ATOM 0 HA LEU A 90 8.123 2.399 -14.302 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.678 1.422 -11.474 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.383 2.526 -11.893 1.00 0.00 H new ATOM 0 HG LEU A 90 7.630 -0.238 -13.103 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.930 -0.947 -11.468 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.442 -0.448 -10.672 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.036 0.643 -10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.237 0.093 -13.595 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.318 1.719 -12.876 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.245 1.351 -14.350 1.00 0.00 H new ATOM 1401 N ARG A 91 10.584 3.368 -12.326 1.00 0.00 N ATOM 1402 CA ARG A 91 11.331 4.533 -11.863 1.00 0.00 C ATOM 1403 C ARG A 91 12.037 5.215 -13.033 1.00 0.00 C ATOM 1404 O ARG A 91 12.382 6.395 -12.966 1.00 0.00 O ATOM 1405 CB ARG A 91 12.347 4.124 -10.792 1.00 0.00 C ATOM 1406 CG ARG A 91 12.965 5.298 -10.047 1.00 0.00 C ATOM 1407 CD ARG A 91 14.015 4.832 -9.050 1.00 0.00 C ATOM 1408 NE ARG A 91 15.178 4.250 -9.719 1.00 0.00 N ATOM 1409 CZ ARG A 91 15.487 2.955 -9.689 1.00 0.00 C ATOM 1410 NH1 ARG A 91 14.736 2.105 -8.998 1.00 0.00 N ATOM 1411 NH2 ARG A 91 16.552 2.506 -10.341 1.00 0.00 N ATOM 0 H ARG A 91 10.952 2.475 -11.998 1.00 0.00 H new ATOM 0 HA ARG A 91 10.629 5.241 -11.423 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.857 3.467 -10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 91 13.142 3.545 -11.262 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.419 5.986 -10.761 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.184 5.851 -9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.333 5.675 -8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.576 4.095 -8.377 1.00 0.00 H new ATOM 0 HE ARG A 91 15.791 4.876 -10.242 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.920 2.444 -8.488 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.975 1.114 -8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 91 17.138 3.154 -10.868 1.00 0.00 H new ATOM 0 HH22 ARG A 91 16.785 1.513 -10.315 1.00 0.00 H new ATOM 1425 N GLY A 92 12.243 4.465 -14.111 1.00 0.00 N ATOM 1426 CA GLY A 92 12.820 5.032 -15.315 1.00 0.00 C ATOM 1427 C GLY A 92 11.861 5.979 -16.008 1.00 0.00 C ATOM 1428 O GLY A 92 12.268 6.812 -16.817 1.00 0.00 O ATOM 0 H GLY A 92 12.020 3.472 -14.172 1.00 0.00 H new ATOM 0 HA2 GLY A 92 13.737 5.564 -15.062 1.00 0.00 H new ATOM 0 HA3 GLY A 92 13.095 4.229 -15.999 1.00 0.00 H new ATOM 1432 N VAL A 93 10.580 5.847 -15.680 1.00 0.00 N ATOM 1433 CA VAL A 93 9.545 6.701 -16.246 1.00 0.00 C ATOM 1434 C VAL A 93 8.999 7.641 -15.163 1.00 0.00 C ATOM 1435 O VAL A 93 7.919 8.212 -15.305 1.00 0.00 O ATOM 1436 CB VAL A 93 8.389 5.862 -16.849 1.00 0.00 C ATOM 1437 CG1 VAL A 93 7.549 6.694 -17.811 1.00 0.00 C ATOM 1438 CG2 VAL A 93 8.925 4.622 -17.550 1.00 0.00 C ATOM 0 H VAL A 93 10.233 5.151 -15.020 1.00 0.00 H new ATOM 0 HA VAL A 93 9.990 7.288 -17.050 1.00 0.00 H new ATOM 0 HB VAL A 93 7.749 5.543 -16.026 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.746 6.079 -18.218 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.121 7.544 -17.279 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.178 7.055 -18.625 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.094 4.051 -17.964 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.597 4.921 -18.355 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.468 4.005 -16.834 1.00 0.00 H new ATOM 1448 N ASN A 94 9.772 7.777 -14.075 1.00 0.00 N ATOM 1449 CA ASN A 94 9.452 8.687 -12.957 1.00 0.00 C ATOM 1450 C ASN A 94 8.370 8.107 -12.038 1.00 0.00 C ATOM 1451 O ASN A 94 8.159 8.603 -10.933 1.00 0.00 O ATOM 1452 CB ASN A 94 9.033 10.076 -13.479 1.00 0.00 C ATOM 1453 CG ASN A 94 8.775 11.091 -12.375 1.00 0.00 C ATOM 1454 OD1 ASN A 94 9.695 11.777 -11.920 1.00 0.00 O ATOM 1455 ND2 ASN A 94 7.523 11.216 -11.957 1.00 0.00 N ATOM 0 H ASN A 94 10.640 7.259 -13.942 1.00 0.00 H new ATOM 0 HA ASN A 94 10.360 8.799 -12.364 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.814 10.458 -14.137 1.00 0.00 H new ATOM 0 HB3 ASN A 94 8.131 9.971 -14.082 1.00 0.00 H new ATOM 0 HD21 ASN A 94 7.292 11.898 -11.234 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.791 10.630 -12.358 1.00 0.00 H new ATOM 1462 N VAL A 95 7.722 7.036 -12.475 1.00 0.00 N ATOM 1463 CA VAL A 95 6.609 6.454 -11.730 1.00 0.00 C ATOM 1464 C VAL A 95 7.067 5.890 -10.386 1.00 0.00 C ATOM 1465 O VAL A 95 7.789 4.890 -10.329 1.00 0.00 O ATOM 1466 CB VAL A 95 5.916 5.331 -12.533 1.00 0.00 C ATOM 1467 CG1 VAL A 95 4.718 4.782 -11.774 1.00 0.00 C ATOM 1468 CG2 VAL A 95 5.497 5.833 -13.906 1.00 0.00 C ATOM 0 H VAL A 95 7.947 6.550 -13.343 1.00 0.00 H new ATOM 0 HA VAL A 95 5.899 7.262 -11.556 1.00 0.00 H new ATOM 0 HB VAL A 95 6.632 4.520 -12.668 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.247 3.993 -12.360 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.048 4.376 -10.818 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.999 5.583 -11.600 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.011 5.027 -14.455 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.802 6.665 -13.793 1.00 0.00 H new ATOM 0 HG23 VAL A 95 6.377 6.167 -14.455 1.00 0.00 H new ATOM 1478 N VAL A 96 6.652 6.541 -9.306 1.00 0.00 N ATOM 1479 CA VAL A 96 6.949 6.062 -7.966 1.00 0.00 C ATOM 1480 C VAL A 96 5.833 5.139 -7.489 1.00 0.00 C ATOM 1481 O VAL A 96 4.813 5.592 -6.965 1.00 0.00 O ATOM 1482 CB VAL A 96 7.123 7.229 -6.967 1.00 0.00 C ATOM 1483 CG1 VAL A 96 7.566 6.712 -5.606 1.00 0.00 C ATOM 1484 CG2 VAL A 96 8.118 8.251 -7.497 1.00 0.00 C ATOM 0 H VAL A 96 6.108 7.403 -9.335 1.00 0.00 H new ATOM 0 HA VAL A 96 7.891 5.514 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 96 6.157 7.720 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.682 7.550 -4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.816 6.024 -5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.518 6.191 -5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.224 9.063 -6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 96 9.085 7.772 -7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 96 7.758 8.651 -8.445 1.00 0.00 H new ATOM 1494 N LEU A 97 6.014 3.843 -7.704 1.00 0.00 N ATOM 1495 CA LEU A 97 4.987 2.868 -7.369 1.00 0.00 C ATOM 1496 C LEU A 97 5.304 2.125 -6.081 1.00 0.00 C ATOM 1497 O LEU A 97 6.383 1.542 -5.926 1.00 0.00 O ATOM 1498 CB LEU A 97 4.799 1.861 -8.511 1.00 0.00 C ATOM 1499 CG LEU A 97 3.883 0.673 -8.184 1.00 0.00 C ATOM 1500 CD1 LEU A 97 2.526 1.157 -7.708 1.00 0.00 C ATOM 1501 CD2 LEU A 97 3.722 -0.234 -9.392 1.00 0.00 C ATOM 0 H LEU A 97 6.861 3.444 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 97 4.061 3.424 -7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.393 2.386 -9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.777 1.477 -8.802 1.00 0.00 H new ATOM 0 HG LEU A 97 4.349 0.101 -7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.893 0.299 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.650 1.763 -6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.059 1.757 -8.489 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.069 -1.068 -9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.284 0.331 -10.215 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.698 -0.616 -9.693 1.00 0.00 H new ATOM 1513 N ASP A 98 4.344 2.145 -5.170 1.00 0.00 N ATOM 1514 CA ASP A 98 4.407 1.353 -3.954 1.00 0.00 C ATOM 1515 C ASP A 98 3.138 0.524 -3.819 1.00 0.00 C ATOM 1516 O ASP A 98 2.036 1.023 -4.050 1.00 0.00 O ATOM 1517 CB ASP A 98 4.588 2.244 -2.723 1.00 0.00 C ATOM 1518 CG ASP A 98 6.001 2.772 -2.584 1.00 0.00 C ATOM 1519 OD1 ASP A 98 6.831 2.088 -1.947 1.00 0.00 O ATOM 1520 OD2 ASP A 98 6.288 3.875 -3.090 1.00 0.00 O ATOM 0 H ASP A 98 3.500 2.711 -5.254 1.00 0.00 H new ATOM 0 HA ASP A 98 5.270 0.690 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 98 3.895 3.084 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.327 1.678 -1.829 1.00 0.00 H new ATOM 1525 N THR A 99 3.295 -0.742 -3.473 1.00 0.00 N ATOM 1526 CA THR A 99 2.163 -1.645 -3.360 1.00 0.00 C ATOM 1527 C THR A 99 1.884 -1.991 -1.898 1.00 0.00 C ATOM 1528 O THR A 99 2.811 -2.141 -1.096 1.00 0.00 O ATOM 1529 CB THR A 99 2.413 -2.940 -4.161 1.00 0.00 C ATOM 1530 OG1 THR A 99 3.676 -3.514 -3.799 1.00 0.00 O ATOM 1531 CG2 THR A 99 2.394 -2.673 -5.659 1.00 0.00 C ATOM 0 H THR A 99 4.198 -1.169 -3.265 1.00 0.00 H new ATOM 0 HA THR A 99 1.292 -1.136 -3.773 1.00 0.00 H new ATOM 0 HB THR A 99 1.611 -3.637 -3.919 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.396 -3.043 -4.268 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.573 -3.604 -6.197 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.422 -2.270 -5.944 1.00 0.00 H new ATOM 0 HG23 THR A 99 3.173 -1.953 -5.910 1.00 0.00 H new ATOM 1539 N MET A 100 0.606 -2.094 -1.552 1.00 0.00 N ATOM 1540 CA MET A 100 0.198 -2.459 -0.202 1.00 0.00 C ATOM 1541 C MET A 100 -1.255 -2.922 -0.206 1.00 0.00 C ATOM 1542 O MET A 100 -1.866 -3.051 -1.264 1.00 0.00 O ATOM 1543 CB MET A 100 0.368 -1.277 0.772 1.00 0.00 C ATOM 1544 CG MET A 100 -0.599 -0.118 0.540 1.00 0.00 C ATOM 1545 SD MET A 100 -0.236 0.834 -0.949 1.00 0.00 S ATOM 1546 CE MET A 100 1.371 1.508 -0.540 1.00 0.00 C ATOM 0 H MET A 100 -0.170 -1.928 -2.193 1.00 0.00 H new ATOM 0 HA MET A 100 0.839 -3.273 0.137 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.240 -1.642 1.791 1.00 0.00 H new ATOM 0 HB3 MET A 100 1.389 -0.903 0.694 1.00 0.00 H new ATOM 0 HG2 MET A 100 -1.614 -0.510 0.473 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.570 0.547 1.403 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.550 2.406 -1.131 1.00 0.00 H new ATOM 0 HE2 MET A 100 1.401 1.759 0.520 1.00 0.00 H new ATOM 0 HE3 MET A 100 2.142 0.769 -0.760 1.00 0.00 H new ATOM 1556 N GLN A 101 -1.800 -3.178 0.978 1.00 0.00 N ATOM 1557 CA GLN A 101 -3.203 -3.556 1.110 1.00 0.00 C ATOM 1558 C GLN A 101 -4.108 -2.395 0.710 1.00 0.00 C ATOM 1559 O GLN A 101 -3.735 -1.229 0.863 1.00 0.00 O ATOM 1560 CB GLN A 101 -3.504 -3.970 2.548 1.00 0.00 C ATOM 1561 CG GLN A 101 -2.773 -5.226 2.990 1.00 0.00 C ATOM 1562 CD GLN A 101 -2.820 -5.422 4.492 1.00 0.00 C ATOM 1563 OE1 GLN A 101 -2.860 -4.454 5.253 1.00 0.00 O ATOM 1564 NE2 GLN A 101 -2.817 -6.669 4.933 1.00 0.00 N ATOM 0 H GLN A 101 -1.292 -3.131 1.861 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.396 -4.399 0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.236 -3.151 3.216 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.577 -4.129 2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -3.215 -6.093 2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -1.734 -5.172 2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -2.783 -7.444 4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -2.849 -6.856 5.935 1.00 0.00 H new ATOM 1573 N THR A 102 -5.296 -2.714 0.218 1.00 0.00 N ATOM 1574 CA THR A 102 -6.232 -1.700 -0.249 1.00 0.00 C ATOM 1575 C THR A 102 -6.677 -0.777 0.894 1.00 0.00 C ATOM 1576 O THR A 102 -6.961 0.397 0.673 1.00 0.00 O ATOM 1577 CB THR A 102 -7.462 -2.355 -0.910 1.00 0.00 C ATOM 1578 OG1 THR A 102 -7.025 -3.343 -1.854 1.00 0.00 O ATOM 1579 CG2 THR A 102 -8.320 -1.320 -1.625 1.00 0.00 C ATOM 0 H THR A 102 -5.636 -3.672 0.131 1.00 0.00 H new ATOM 0 HA THR A 102 -5.713 -1.094 -0.992 1.00 0.00 H new ATOM 0 HB THR A 102 -8.064 -2.820 -0.129 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.734 -3.503 -2.512 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.179 -1.812 -2.081 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.666 -0.576 -0.907 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.730 -0.830 -2.399 1.00 0.00 H new ATOM 1587 N GLY A 103 -6.706 -1.312 2.114 1.00 0.00 N ATOM 1588 CA GLY A 103 -7.101 -0.523 3.275 1.00 0.00 C ATOM 1589 C GLY A 103 -6.241 0.721 3.465 1.00 0.00 C ATOM 1590 O GLY A 103 -6.734 1.845 3.333 1.00 0.00 O ATOM 0 H GLY A 103 -6.462 -2.281 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.144 -0.225 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.037 -1.143 4.169 1.00 0.00 H new ATOM 1594 N PRO A 104 -4.947 0.553 3.794 1.00 0.00 N ATOM 1595 CA PRO A 104 -4.003 1.672 3.909 1.00 0.00 C ATOM 1596 C PRO A 104 -3.887 2.475 2.614 1.00 0.00 C ATOM 1597 O PRO A 104 -3.593 3.674 2.641 1.00 0.00 O ATOM 1598 CB PRO A 104 -2.664 0.998 4.242 1.00 0.00 C ATOM 1599 CG PRO A 104 -2.851 -0.447 3.925 1.00 0.00 C ATOM 1600 CD PRO A 104 -4.311 -0.730 4.124 1.00 0.00 C ATOM 0 HA PRO A 104 -4.327 2.390 4.662 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.853 1.426 3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.405 1.139 5.291 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -2.548 -0.664 2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -2.240 -1.071 4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.659 -1.532 3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.527 -1.035 5.148 1.00 0.00 H new ATOM 1608 N ALA A 105 -4.120 1.811 1.485 1.00 0.00 N ATOM 1609 CA ALA A 105 -4.064 2.466 0.185 1.00 0.00 C ATOM 1610 C ALA A 105 -5.142 3.539 0.071 1.00 0.00 C ATOM 1611 O ALA A 105 -4.855 4.675 -0.306 1.00 0.00 O ATOM 1612 CB ALA A 105 -4.210 1.444 -0.933 1.00 0.00 C ATOM 0 H ALA A 105 -4.350 0.818 1.446 1.00 0.00 H new ATOM 0 HA ALA A 105 -3.092 2.949 0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.166 1.951 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.401 0.716 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.167 0.932 -0.835 1.00 0.00 H new ATOM 1618 N ILE A 106 -6.377 3.175 0.411 1.00 0.00 N ATOM 1619 CA ILE A 106 -7.491 4.117 0.384 1.00 0.00 C ATOM 1620 C ILE A 106 -7.211 5.303 1.302 1.00 0.00 C ATOM 1621 O ILE A 106 -7.436 6.451 0.927 1.00 0.00 O ATOM 1622 CB ILE A 106 -8.821 3.445 0.801 1.00 0.00 C ATOM 1623 CG1 ILE A 106 -9.194 2.340 -0.193 1.00 0.00 C ATOM 1624 CG2 ILE A 106 -9.941 4.473 0.895 1.00 0.00 C ATOM 1625 CD1 ILE A 106 -10.451 1.583 0.181 1.00 0.00 C ATOM 0 H ILE A 106 -6.630 2.233 0.709 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.592 4.466 -0.644 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.684 2.999 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -9.327 2.782 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -8.365 1.636 -0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.866 3.977 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -9.681 5.227 1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.078 4.951 -0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -10.651 0.818 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -10.316 1.111 1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -11.292 2.275 0.227 1.00 0.00 H new ATOM 1637 N ARG A 107 -6.700 5.013 2.496 1.00 0.00 N ATOM 1638 CA ARG A 107 -6.356 6.055 3.463 1.00 0.00 C ATOM 1639 C ARG A 107 -5.353 7.045 2.879 1.00 0.00 C ATOM 1640 O ARG A 107 -5.587 8.254 2.882 1.00 0.00 O ATOM 1641 CB ARG A 107 -5.779 5.437 4.735 1.00 0.00 C ATOM 1642 CG ARG A 107 -6.826 4.855 5.663 1.00 0.00 C ATOM 1643 CD ARG A 107 -6.184 4.130 6.833 1.00 0.00 C ATOM 1644 NE ARG A 107 -7.157 3.785 7.866 1.00 0.00 N ATOM 1645 CZ ARG A 107 -8.066 2.820 7.752 1.00 0.00 C ATOM 1646 NH1 ARG A 107 -8.125 2.073 6.655 1.00 0.00 N ATOM 1647 NH2 ARG A 107 -8.909 2.605 8.748 1.00 0.00 N ATOM 0 H ARG A 107 -6.514 4.063 2.819 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.273 6.592 3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.075 4.652 4.459 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.213 6.198 5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.469 5.653 6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.462 4.165 5.109 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.699 3.222 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.405 4.758 7.265 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.138 4.320 8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.470 2.237 5.891 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.825 1.336 6.577 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.858 3.176 9.592 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.610 1.868 8.673 1.00 0.00 H new ATOM 1661 N THR A 108 -4.243 6.524 2.372 1.00 0.00 N ATOM 1662 CA THR A 108 -3.183 7.362 1.833 1.00 0.00 C ATOM 1663 C THR A 108 -3.680 8.146 0.620 1.00 0.00 C ATOM 1664 O THR A 108 -3.423 9.345 0.496 1.00 0.00 O ATOM 1665 CB THR A 108 -1.955 6.517 1.437 1.00 0.00 C ATOM 1666 OG1 THR A 108 -1.598 5.644 2.517 1.00 0.00 O ATOM 1667 CG2 THR A 108 -0.767 7.409 1.093 1.00 0.00 C ATOM 0 H THR A 108 -4.054 5.523 2.323 1.00 0.00 H new ATOM 0 HA THR A 108 -2.887 8.063 2.614 1.00 0.00 H new ATOM 0 HB THR A 108 -2.215 5.929 0.557 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.216 4.884 2.541 1.00 0.00 H new ATOM 0 HG21 THR A 108 0.086 6.789 0.817 1.00 0.00 H new ATOM 0 HG22 THR A 108 -1.029 8.058 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 108 -0.507 8.019 1.958 1.00 0.00 H new ATOM 1675 N TYR A 109 -4.414 7.468 -0.256 1.00 0.00 N ATOM 1676 CA TYR A 109 -4.940 8.093 -1.460 1.00 0.00 C ATOM 1677 C TYR A 109 -5.924 9.206 -1.113 1.00 0.00 C ATOM 1678 O TYR A 109 -5.821 10.307 -1.642 1.00 0.00 O ATOM 1679 CB TYR A 109 -5.618 7.049 -2.355 1.00 0.00 C ATOM 1680 CG TYR A 109 -6.253 7.632 -3.598 1.00 0.00 C ATOM 1681 CD1 TYR A 109 -5.474 8.185 -4.605 1.00 0.00 C ATOM 1682 CD2 TYR A 109 -7.632 7.634 -3.761 1.00 0.00 C ATOM 1683 CE1 TYR A 109 -6.049 8.721 -5.741 1.00 0.00 C ATOM 1684 CE2 TYR A 109 -8.216 8.168 -4.894 1.00 0.00 C ATOM 1685 CZ TYR A 109 -7.420 8.712 -5.880 1.00 0.00 C ATOM 1686 OH TYR A 109 -7.999 9.248 -7.008 1.00 0.00 O ATOM 0 H TYR A 109 -4.658 6.483 -0.152 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.103 8.532 -2.003 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -4.880 6.303 -2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.382 6.530 -1.777 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -4.399 8.196 -4.499 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -8.259 7.211 -2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -5.427 9.145 -6.516 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -9.290 8.159 -5.007 1.00 0.00 H new ATOM 0 HH TYR A 109 -7.388 9.150 -7.768 1.00 0.00 H new ATOM 1696 N ASN A 110 -6.858 8.912 -0.210 1.00 0.00 N ATOM 1697 CA ASN A 110 -7.900 9.867 0.182 1.00 0.00 C ATOM 1698 C ASN A 110 -7.301 11.197 0.632 1.00 0.00 C ATOM 1699 O ASN A 110 -7.722 12.263 0.183 1.00 0.00 O ATOM 1700 CB ASN A 110 -8.763 9.270 1.303 1.00 0.00 C ATOM 1701 CG ASN A 110 -9.799 10.243 1.838 1.00 0.00 C ATOM 1702 OD1 ASN A 110 -9.551 10.961 2.807 1.00 0.00 O ATOM 1703 ND2 ASN A 110 -10.969 10.267 1.219 1.00 0.00 N ATOM 0 H ASN A 110 -6.916 8.013 0.269 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.523 10.061 -0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.268 8.379 0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.117 8.951 2.120 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.704 10.896 1.542 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.135 9.656 0.419 1.00 0.00 H new ATOM 1710 N ILE A 111 -6.308 11.126 1.504 1.00 0.00 N ATOM 1711 CA ILE A 111 -5.657 12.326 2.015 1.00 0.00 C ATOM 1712 C ILE A 111 -4.835 13.004 0.920 1.00 0.00 C ATOM 1713 O ILE A 111 -4.943 14.215 0.698 1.00 0.00 O ATOM 1714 CB ILE A 111 -4.740 11.994 3.213 1.00 0.00 C ATOM 1715 CG1 ILE A 111 -5.541 11.295 4.315 1.00 0.00 C ATOM 1716 CG2 ILE A 111 -4.077 13.258 3.749 1.00 0.00 C ATOM 1717 CD1 ILE A 111 -4.692 10.805 5.468 1.00 0.00 C ATOM 0 H ILE A 111 -5.934 10.252 1.874 1.00 0.00 H new ATOM 0 HA ILE A 111 -6.441 13.006 2.349 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.955 11.318 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.294 11.984 4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.074 10.448 3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.435 13.003 4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.477 13.716 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.844 13.960 4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.329 10.321 6.209 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.956 10.090 5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.179 11.650 5.927 1.00 0.00 H new ATOM 1729 N MET A 112 -4.037 12.209 0.219 1.00 0.00 N ATOM 1730 CA MET A 112 -3.122 12.723 -0.792 1.00 0.00 C ATOM 1731 C MET A 112 -3.873 13.362 -1.961 1.00 0.00 C ATOM 1732 O MET A 112 -3.490 14.433 -2.436 1.00 0.00 O ATOM 1733 CB MET A 112 -2.217 11.595 -1.295 1.00 0.00 C ATOM 1734 CG MET A 112 -1.166 12.038 -2.299 1.00 0.00 C ATOM 1735 SD MET A 112 -0.051 13.290 -1.642 1.00 0.00 S ATOM 1736 CE MET A 112 1.152 13.380 -2.963 1.00 0.00 C ATOM 0 H MET A 112 -4.005 11.196 0.334 1.00 0.00 H new ATOM 0 HA MET A 112 -2.512 13.499 -0.331 1.00 0.00 H new ATOM 0 HB2 MET A 112 -1.717 11.138 -0.441 1.00 0.00 H new ATOM 0 HB3 MET A 112 -2.837 10.824 -1.752 1.00 0.00 H new ATOM 0 HG2 MET A 112 -0.585 11.172 -2.615 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.662 12.430 -3.187 1.00 0.00 H new ATOM 0 HE1 MET A 112 2.101 12.970 -2.619 1.00 0.00 H new ATOM 0 HE2 MET A 112 0.797 12.805 -3.818 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.292 14.420 -3.258 1.00 0.00 H new ATOM 1746 N ILE A 113 -4.948 12.716 -2.412 1.00 0.00 N ATOM 1747 CA ILE A 113 -5.715 13.203 -3.558 1.00 0.00 C ATOM 1748 C ILE A 113 -6.437 14.506 -3.209 1.00 0.00 C ATOM 1749 O ILE A 113 -6.671 15.353 -4.072 1.00 0.00 O ATOM 1750 CB ILE A 113 -6.741 12.150 -4.059 1.00 0.00 C ATOM 1751 CG1 ILE A 113 -7.256 12.514 -5.454 1.00 0.00 C ATOM 1752 CG2 ILE A 113 -7.911 12.011 -3.092 1.00 0.00 C ATOM 1753 CD1 ILE A 113 -6.213 12.379 -6.543 1.00 0.00 C ATOM 0 H ILE A 113 -5.307 11.854 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.004 13.389 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 113 -6.225 11.191 -4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -8.106 11.875 -5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -7.623 13.540 -5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -8.611 11.267 -3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.541 11.697 -2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -8.419 12.970 -2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.651 12.654 -7.503 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -5.373 13.038 -6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.863 11.348 -6.586 1.00 0.00 H new ATOM 1765 N GLY A 114 -6.766 14.672 -1.936 1.00 0.00 N ATOM 1766 CA GLY A 114 -7.421 15.884 -1.501 1.00 0.00 C ATOM 1767 C GLY A 114 -6.445 17.032 -1.372 1.00 0.00 C ATOM 1768 O GLY A 114 -6.727 18.153 -1.801 1.00 0.00 O ATOM 0 H GLY A 114 -6.591 13.989 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.204 16.150 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.908 15.710 -0.541 1.00 0.00 H new ATOM 1772 N GLU A 115 -5.283 16.746 -0.800 1.00 0.00 N ATOM 1773 CA GLU A 115 -4.284 17.772 -0.544 1.00 0.00 C ATOM 1774 C GLU A 115 -3.574 18.208 -1.827 1.00 0.00 C ATOM 1775 O GLU A 115 -3.630 19.377 -2.204 1.00 0.00 O ATOM 1776 CB GLU A 115 -3.256 17.268 0.471 1.00 0.00 C ATOM 1777 CG GLU A 115 -2.269 18.337 0.912 1.00 0.00 C ATOM 1778 CD GLU A 115 -1.191 17.795 1.824 1.00 0.00 C ATOM 1779 OE1 GLU A 115 -1.502 17.452 2.981 1.00 0.00 O ATOM 1780 OE2 GLU A 115 -0.023 17.712 1.388 1.00 0.00 O ATOM 0 H GLU A 115 -5.010 15.809 -0.504 1.00 0.00 H new ATOM 0 HA GLU A 115 -4.804 18.640 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.779 16.884 1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.706 16.433 0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -1.805 18.782 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.808 19.133 1.426 1.00 0.00 H new ATOM 1787 N ARG A 116 -2.908 17.271 -2.496 1.00 0.00 N ATOM 1788 CA ARG A 116 -2.066 17.615 -3.642 1.00 0.00 C ATOM 1789 C ARG A 116 -2.502 16.894 -4.914 1.00 0.00 C ATOM 1790 O ARG A 116 -2.105 17.283 -6.010 1.00 0.00 O ATOM 1791 CB ARG A 116 -0.603 17.284 -3.340 1.00 0.00 C ATOM 1792 CG ARG A 116 -0.071 17.971 -2.094 1.00 0.00 C ATOM 1793 CD ARG A 116 1.390 17.637 -1.843 1.00 0.00 C ATOM 1794 NE ARG A 116 1.846 18.157 -0.557 1.00 0.00 N ATOM 1795 CZ ARG A 116 2.979 18.834 -0.383 1.00 0.00 C ATOM 1796 NH1 ARG A 116 3.775 19.089 -1.416 1.00 0.00 N ATOM 1797 NH2 ARG A 116 3.320 19.260 0.826 1.00 0.00 N ATOM 0 H ARG A 116 -2.933 16.277 -2.269 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.176 18.686 -3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -0.500 16.205 -3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 116 0.010 17.572 -4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -0.184 19.050 -2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -0.666 17.670 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 116 1.526 16.556 -1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 116 2.002 18.054 -2.643 1.00 0.00 H new ATOM 0 HE ARG A 116 1.259 17.991 0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 116 3.519 18.766 -2.349 1.00 0.00 H new ATOM 0 HH12 ARG A 116 4.642 19.608 -1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 116 2.714 19.069 1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 116 4.188 19.779 0.958 1.00 0.00 H new ATOM 1811 N ARG A 117 -3.301 15.833 -4.751 1.00 0.00 N ATOM 1812 CA ARG A 117 -3.805 15.007 -5.867 1.00 0.00 C ATOM 1813 C ARG A 117 -2.704 14.660 -6.873 1.00 0.00 C ATOM 1814 O ARG A 117 -2.943 14.554 -8.075 1.00 0.00 O ATOM 1815 CB ARG A 117 -5.015 15.670 -6.555 1.00 0.00 C ATOM 1816 CG ARG A 117 -4.740 16.994 -7.242 1.00 0.00 C ATOM 1817 CD ARG A 117 -5.973 17.877 -7.228 1.00 0.00 C ATOM 1818 NE ARG A 117 -6.341 18.263 -5.865 1.00 0.00 N ATOM 1819 CZ ARG A 117 -6.480 19.527 -5.473 1.00 0.00 C ATOM 1820 NH1 ARG A 117 -6.412 20.504 -6.367 1.00 0.00 N ATOM 1821 NH2 ARG A 117 -6.727 19.813 -4.199 1.00 0.00 N ATOM 0 H ARG A 117 -3.621 15.517 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.145 14.065 -5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -5.415 14.975 -7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.794 15.825 -5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -3.917 17.504 -6.742 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -4.427 16.816 -8.271 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -5.788 18.771 -7.823 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -6.805 17.350 -7.695 1.00 0.00 H new ATOM 0 HE ARG A 117 -6.499 17.524 -5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -6.254 20.285 -7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -6.518 21.474 -6.071 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -6.811 19.061 -3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -6.832 20.784 -3.905 1.00 0.00 H new ATOM 1835 N ARG A 118 -1.509 14.433 -6.347 1.00 0.00 N ATOM 1836 CA ARG A 118 -0.344 14.093 -7.154 1.00 0.00 C ATOM 1837 C ARG A 118 -0.193 12.571 -7.216 1.00 0.00 C ATOM 1838 O ARG A 118 0.885 12.032 -7.477 1.00 0.00 O ATOM 1839 CB ARG A 118 0.895 14.747 -6.528 1.00 0.00 C ATOM 1840 CG ARG A 118 2.162 14.651 -7.362 1.00 0.00 C ATOM 1841 CD ARG A 118 2.041 15.421 -8.666 1.00 0.00 C ATOM 1842 NE ARG A 118 3.300 15.422 -9.403 1.00 0.00 N ATOM 1843 CZ ARG A 118 3.494 16.073 -10.546 1.00 0.00 C ATOM 1844 NH1 ARG A 118 2.513 16.794 -11.081 1.00 0.00 N ATOM 1845 NH2 ARG A 118 4.674 16.004 -11.148 1.00 0.00 N ATOM 0 H ARG A 118 -1.319 14.479 -5.346 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.462 14.463 -8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 118 0.678 15.799 -6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 118 1.080 14.285 -5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.004 15.038 -6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 118 2.377 13.604 -7.577 1.00 0.00 H new ATOM 0 HD2 ARG A 118 1.258 14.977 -9.281 1.00 0.00 H new ATOM 0 HD3 ARG A 118 1.739 16.447 -8.457 1.00 0.00 H new ATOM 0 HE ARG A 118 4.080 14.890 -9.017 1.00 0.00 H new ATOM 0 HH11 ARG A 118 1.608 16.849 -10.614 1.00 0.00 H new ATOM 0 HH12 ARG A 118 2.666 17.292 -11.958 1.00 0.00 H new ATOM 0 HH21 ARG A 118 5.426 15.454 -10.734 1.00 0.00 H new ATOM 0 HH22 ARG A 118 4.829 16.501 -12.025 1.00 0.00 H new ATOM 1859 N VAL A 119 -1.302 11.887 -7.007 1.00 0.00 N ATOM 1860 CA VAL A 119 -1.296 10.445 -6.853 1.00 0.00 C ATOM 1861 C VAL A 119 -2.394 9.800 -7.693 1.00 0.00 C ATOM 1862 O VAL A 119 -3.431 10.411 -7.950 1.00 0.00 O ATOM 1863 CB VAL A 119 -1.487 10.062 -5.365 1.00 0.00 C ATOM 1864 CG1 VAL A 119 -2.857 10.498 -4.866 1.00 0.00 C ATOM 1865 CG2 VAL A 119 -1.282 8.571 -5.146 1.00 0.00 C ATOM 0 H VAL A 119 -2.227 12.312 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.331 10.076 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.728 10.590 -4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.969 10.218 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.953 11.579 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.632 10.009 -5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.423 8.335 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.004 8.013 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.272 8.295 -5.447 1.00 0.00 H new ATOM 1875 N ALA A 120 -2.138 8.581 -8.140 1.00 0.00 N ATOM 1876 CA ALA A 120 -3.142 7.775 -8.811 1.00 0.00 C ATOM 1877 C ALA A 120 -3.284 6.448 -8.082 1.00 0.00 C ATOM 1878 O ALA A 120 -2.292 5.892 -7.602 1.00 0.00 O ATOM 1879 CB ALA A 120 -2.766 7.553 -10.268 1.00 0.00 C ATOM 0 H ALA A 120 -1.231 8.124 -8.048 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.098 8.299 -8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.531 6.947 -10.753 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.690 8.515 -10.775 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.807 7.038 -10.322 1.00 0.00 H new ATOM 1885 N ALA A 121 -4.502 5.945 -7.979 1.00 0.00 N ATOM 1886 CA ALA A 121 -4.749 4.739 -7.204 1.00 0.00 C ATOM 1887 C ALA A 121 -5.267 3.602 -8.067 1.00 0.00 C ATOM 1888 O ALA A 121 -6.314 3.713 -8.702 1.00 0.00 O ATOM 1889 CB ALA A 121 -5.728 5.023 -6.079 1.00 0.00 C ATOM 0 H ALA A 121 -5.330 6.348 -8.418 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.794 4.426 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.902 4.110 -5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.315 5.788 -5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.671 5.375 -6.497 1.00 0.00 H new ATOM 1895 N ALA A 122 -4.524 2.511 -8.086 1.00 0.00 N ATOM 1896 CA ALA A 122 -4.974 1.290 -8.725 1.00 0.00 C ATOM 1897 C ALA A 122 -5.376 0.296 -7.648 1.00 0.00 C ATOM 1898 O ALA A 122 -4.531 -0.375 -7.058 1.00 0.00 O ATOM 1899 CB ALA A 122 -3.891 0.715 -9.622 1.00 0.00 C ATOM 0 H ALA A 122 -3.598 2.447 -7.662 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.834 1.506 -9.359 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.254 -0.200 -10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.635 1.440 -10.395 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.006 0.492 -9.026 1.00 0.00 H new ATOM 1905 N LEU A 123 -6.662 0.235 -7.366 1.00 0.00 N ATOM 1906 CA LEU A 123 -7.148 -0.545 -6.243 1.00 0.00 C ATOM 1907 C LEU A 123 -7.821 -1.826 -6.707 1.00 0.00 C ATOM 1908 O LEU A 123 -8.692 -1.802 -7.576 1.00 0.00 O ATOM 1909 CB LEU A 123 -8.123 0.288 -5.407 1.00 0.00 C ATOM 1910 CG LEU A 123 -7.541 1.578 -4.820 1.00 0.00 C ATOM 1911 CD1 LEU A 123 -8.601 2.333 -4.032 1.00 0.00 C ATOM 1912 CD2 LEU A 123 -6.337 1.272 -3.942 1.00 0.00 C ATOM 0 H LEU A 123 -7.389 0.715 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 123 -6.290 -0.820 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.981 0.545 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.495 -0.329 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.211 2.211 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -8.169 3.246 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.431 2.588 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -8.964 1.707 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -5.938 2.201 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.640 0.618 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -5.569 0.778 -4.537 1.00 0.00 H new ATOM 1924 N ILE A 124 -7.394 -2.939 -6.129 1.00 0.00 N ATOM 1925 CA ILE A 124 -7.998 -4.232 -6.403 1.00 0.00 C ATOM 1926 C ILE A 124 -8.911 -4.621 -5.244 1.00 0.00 C ATOM 1927 O ILE A 124 -8.632 -4.296 -4.083 1.00 0.00 O ATOM 1928 CB ILE A 124 -6.921 -5.327 -6.603 1.00 0.00 C ATOM 1929 CG1 ILE A 124 -5.862 -4.850 -7.604 1.00 0.00 C ATOM 1930 CG2 ILE A 124 -7.556 -6.631 -7.079 1.00 0.00 C ATOM 1931 CD1 ILE A 124 -4.724 -5.826 -7.809 1.00 0.00 C ATOM 0 H ILE A 124 -6.624 -2.971 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 124 -8.575 -4.151 -7.324 1.00 0.00 H new ATOM 0 HB ILE A 124 -6.438 -5.515 -5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.343 -4.662 -8.564 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -5.454 -3.899 -7.260 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -6.781 -7.386 -7.213 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -8.275 -6.977 -6.337 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -8.066 -6.462 -8.028 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -4.018 -5.415 -8.531 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.215 -5.996 -6.860 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -5.118 -6.771 -8.184 1.00 0.00 H new ATOM 1943 N ALA A 125 -10.014 -5.279 -5.561 1.00 0.00 N ATOM 1944 CA ALA A 125 -10.953 -5.732 -4.550 1.00 0.00 C ATOM 1945 C ALA A 125 -10.384 -6.913 -3.769 1.00 0.00 C ATOM 1946 O ALA A 125 -9.495 -7.619 -4.247 1.00 0.00 O ATOM 1947 CB ALA A 125 -12.275 -6.110 -5.198 1.00 0.00 C ATOM 0 H ALA A 125 -10.281 -5.512 -6.517 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.125 -4.916 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -12.972 -6.448 -4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -12.691 -5.242 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -12.111 -6.911 -5.919 1.00 0.00 H new ATOM 1953 N VAL A 126 -10.893 -7.110 -2.561 1.00 0.00 N ATOM 1954 CA VAL A 126 -10.468 -8.223 -1.730 1.00 0.00 C ATOM 1955 C VAL A 126 -11.049 -9.538 -2.246 1.00 0.00 C ATOM 1956 O VAL A 126 -12.214 -9.599 -2.641 1.00 0.00 O ATOM 1957 CB VAL A 126 -10.873 -8.016 -0.253 1.00 0.00 C ATOM 1958 CG1 VAL A 126 -10.082 -6.873 0.362 1.00 0.00 C ATOM 1959 CG2 VAL A 126 -12.369 -7.754 -0.126 1.00 0.00 C ATOM 0 H VAL A 126 -11.601 -6.512 -2.136 1.00 0.00 H new ATOM 0 HA VAL A 126 -9.380 -8.269 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 126 -10.642 -8.933 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -10.381 -6.742 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -9.017 -7.101 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -10.280 -5.955 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -12.626 -7.612 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -12.630 -6.857 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -12.922 -8.605 -0.523 1.00 0.00 H new