USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 675 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 0 THR N :NH3+ -119:sc= 0.0222 (180deg=-0.0789) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.611 (180deg=-1.67) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 138:sc= 0.25 USER MOD Single : A 21 TYR OH : rot 66:sc= 0.506 USER MOD Single : A 29 THR OG1 : rot 115:sc= 1.11 USER MOD Single : A 36 SER OG : rot 76:sc= 0.503 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.417 USER MOD Single : A 55 LYS NZ :NH3+ -146:sc= 1.02 (180deg=0.728) USER MOD Single : A 57 HIS : no HD1:sc= -0.4 X(o=-0.4,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= -3.75! (180deg=-4.2!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 69 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.55) USER MOD Single : A 73 MET CE :methyl 175:sc= -0.0545 (180deg=-0.114) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 0 4.147 -7.567 -13.681 1.00 0.00 N ATOM 181 CA THR A 0 4.135 -6.220 -14.231 1.00 0.00 C ATOM 182 C THR A 0 5.533 -5.620 -14.111 1.00 0.00 C ATOM 183 O THR A 0 6.229 -5.828 -13.109 1.00 0.00 O ATOM 184 CB THR A 0 3.083 -5.321 -13.501 1.00 0.00 C ATOM 185 OG1 THR A 0 3.331 -5.300 -12.092 1.00 0.00 O ATOM 186 CG2 THR A 0 1.643 -5.793 -13.754 1.00 0.00 C ATOM 0 H1 THR A 0 3.889 -8.248 -14.424 1.00 0.00 H new ATOM 0 H2 THR A 0 5.099 -7.788 -13.325 1.00 0.00 H new ATOM 0 H3 THR A 0 3.462 -7.630 -12.901 1.00 0.00 H new ATOM 0 HA THR A 0 3.848 -6.268 -15.282 1.00 0.00 H new ATOM 0 HB THR A 0 3.189 -4.316 -13.911 1.00 0.00 H new ATOM 0 HG1 THR A 0 2.665 -4.732 -11.651 1.00 0.00 H new ATOM 0 HG21 THR A 0 0.948 -5.139 -13.227 1.00 0.00 H new ATOM 0 HG22 THR A 0 1.432 -5.761 -14.823 1.00 0.00 H new ATOM 0 HG23 THR A 0 1.526 -6.814 -13.391 1.00 0.00 H new ATOM 194 N MET A 1 5.921 -4.866 -15.134 1.00 0.00 N ATOM 195 CA MET A 1 7.270 -4.317 -15.270 1.00 0.00 C ATOM 196 C MET A 1 7.281 -2.815 -14.961 1.00 0.00 C ATOM 197 O MET A 1 6.389 -2.087 -15.394 1.00 0.00 O ATOM 198 CB MET A 1 7.792 -4.600 -16.700 1.00 0.00 C ATOM 199 CG MET A 1 6.939 -4.060 -17.853 1.00 0.00 C ATOM 200 SD MET A 1 7.661 -4.440 -19.460 1.00 0.00 S ATOM 201 CE MET A 1 6.485 -3.669 -20.562 1.00 0.00 C ATOM 0 H MET A 1 5.301 -4.614 -15.904 1.00 0.00 H new ATOM 0 HA MET A 1 7.931 -4.799 -14.550 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.793 -4.178 -16.788 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.889 -5.679 -16.822 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.938 -4.487 -17.795 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.831 -2.980 -17.750 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.945 -3.520 -21.539 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.610 -4.311 -20.667 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.181 -2.705 -20.153 1.00 0.00 H new ATOM 211 N GLU A 2 8.286 -2.372 -14.187 1.00 0.00 N ATOM 212 CA GLU A 2 8.501 -0.947 -13.860 1.00 0.00 C ATOM 213 C GLU A 2 9.509 -0.354 -14.851 1.00 0.00 C ATOM 214 O GLU A 2 10.563 -0.941 -15.058 1.00 0.00 O ATOM 215 CB GLU A 2 9.019 -0.794 -12.404 1.00 0.00 C ATOM 216 CG GLU A 2 9.140 0.665 -11.916 1.00 0.00 C ATOM 217 CD GLU A 2 9.603 0.783 -10.454 1.00 0.00 C ATOM 218 OE1 GLU A 2 10.774 0.465 -10.170 1.00 0.00 O ATOM 219 OE2 GLU A 2 8.802 1.178 -9.579 1.00 0.00 O ATOM 0 H GLU A 2 8.977 -2.993 -13.767 1.00 0.00 H new ATOM 0 HA GLU A 2 7.555 -0.411 -13.938 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.348 -1.333 -11.735 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.996 -1.271 -12.328 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.843 1.197 -12.556 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.174 1.158 -12.024 1.00 0.00 H new ATOM 226 N LEU A 3 9.185 0.798 -15.473 1.00 0.00 N ATOM 227 CA LEU A 3 9.993 1.351 -16.588 1.00 0.00 C ATOM 228 C LEU A 3 10.290 2.839 -16.373 1.00 0.00 C ATOM 229 O LEU A 3 9.427 3.575 -15.910 1.00 0.00 O ATOM 230 CB LEU A 3 9.257 1.154 -17.949 1.00 0.00 C ATOM 231 CG LEU A 3 8.421 -0.166 -18.098 1.00 0.00 C ATOM 232 CD1 LEU A 3 6.941 0.054 -17.704 1.00 0.00 C ATOM 233 CD2 LEU A 3 8.547 -0.754 -19.499 1.00 0.00 C ATOM 0 H LEU A 3 8.373 1.364 -15.226 1.00 0.00 H new ATOM 0 HA LEU A 3 10.938 0.809 -16.610 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.590 2.002 -18.104 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.999 1.182 -18.747 1.00 0.00 H new ATOM 0 HG LEU A 3 8.837 -0.895 -17.403 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.391 -0.880 -17.819 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.886 0.382 -16.666 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.502 0.815 -18.349 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.955 -1.667 -19.565 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.184 -0.032 -20.231 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.592 -0.984 -19.704 1.00 0.00 H new ATOM 245 N GLU A 4 11.495 3.276 -16.775 1.00 0.00 N ATOM 246 CA GLU A 4 11.900 4.681 -16.681 1.00 0.00 C ATOM 247 C GLU A 4 11.501 5.417 -17.970 1.00 0.00 C ATOM 248 O GLU A 4 12.172 5.296 -18.998 1.00 0.00 O ATOM 249 CB GLU A 4 13.430 4.791 -16.441 1.00 0.00 C ATOM 250 CG GLU A 4 13.940 6.233 -16.228 1.00 0.00 C ATOM 251 CD GLU A 4 15.467 6.315 -16.110 1.00 0.00 C ATOM 252 OE1 GLU A 4 16.001 6.186 -14.988 1.00 0.00 O ATOM 253 OE2 GLU A 4 16.146 6.494 -17.138 1.00 0.00 O ATOM 0 H GLU A 4 12.210 2.666 -17.172 1.00 0.00 H new ATOM 0 HA GLU A 4 11.392 5.144 -15.835 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.693 4.193 -15.568 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.951 4.356 -17.294 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.611 6.856 -17.060 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.488 6.643 -15.325 1.00 0.00 H new ATOM 260 N LEU A 5 10.393 6.172 -17.921 1.00 0.00 N ATOM 261 CA LEU A 5 9.888 6.885 -19.105 1.00 0.00 C ATOM 262 C LEU A 5 10.443 8.307 -19.106 1.00 0.00 C ATOM 263 O LEU A 5 10.016 9.155 -18.321 1.00 0.00 O ATOM 264 CB LEU A 5 8.347 6.886 -19.138 1.00 0.00 C ATOM 265 CG LEU A 5 7.658 5.512 -18.903 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.138 5.652 -19.039 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.208 4.416 -19.844 1.00 0.00 C ATOM 0 H LEU A 5 9.832 6.304 -17.079 1.00 0.00 H new ATOM 0 HA LEU A 5 10.225 6.370 -20.005 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.988 7.584 -18.382 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.025 7.271 -20.106 1.00 0.00 H new ATOM 0 HG LEU A 5 7.889 5.193 -17.887 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.667 4.683 -18.872 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.771 6.366 -18.301 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.893 6.007 -20.040 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.697 3.474 -19.643 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.038 4.707 -20.880 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.277 4.292 -19.673 1.00 0.00 H new ATOM 279 N ARG A 6 11.429 8.531 -19.976 1.00 0.00 N ATOM 280 CA ARG A 6 12.140 9.800 -20.085 1.00 0.00 C ATOM 281 C ARG A 6 11.455 10.700 -21.122 1.00 0.00 C ATOM 282 O ARG A 6 11.350 10.339 -22.287 1.00 0.00 O ATOM 283 CB ARG A 6 13.632 9.561 -20.461 1.00 0.00 C ATOM 284 CG ARG A 6 14.312 8.386 -19.723 1.00 0.00 C ATOM 285 CD ARG A 6 15.851 8.438 -19.812 1.00 0.00 C ATOM 286 NE ARG A 6 16.412 9.491 -18.934 1.00 0.00 N ATOM 287 CZ ARG A 6 17.371 10.373 -19.263 1.00 0.00 C ATOM 288 NH1 ARG A 6 17.894 10.399 -20.485 1.00 0.00 N ATOM 289 NH2 ARG A 6 17.803 11.234 -18.356 1.00 0.00 N ATOM 0 H ARG A 6 11.759 7.824 -20.633 1.00 0.00 H new ATOM 0 HA ARG A 6 12.112 10.302 -19.118 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.696 9.382 -21.534 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.193 10.473 -20.256 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.012 8.398 -18.675 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.959 7.445 -20.145 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.265 7.470 -19.531 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.150 8.625 -20.843 1.00 0.00 H new ATOM 0 HE ARG A 6 16.034 9.553 -17.989 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.568 9.741 -21.193 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.621 11.077 -20.714 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.408 11.225 -17.415 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.531 11.907 -18.597 1.00 0.00 H new ATOM 303 N PHE A 7 10.976 11.863 -20.674 1.00 0.00 N ATOM 304 CA PHE A 7 10.315 12.868 -21.530 1.00 0.00 C ATOM 305 C PHE A 7 11.263 14.030 -21.767 1.00 0.00 C ATOM 306 O PHE A 7 11.946 14.468 -20.841 1.00 0.00 O ATOM 307 CB PHE A 7 9.002 13.349 -20.868 1.00 0.00 C ATOM 308 CG PHE A 7 7.987 12.233 -20.702 1.00 0.00 C ATOM 309 CD1 PHE A 7 8.000 11.424 -19.573 1.00 0.00 C ATOM 310 CD2 PHE A 7 7.040 11.968 -21.688 1.00 0.00 C ATOM 311 CE1 PHE A 7 7.102 10.389 -19.439 1.00 0.00 C ATOM 312 CE2 PHE A 7 6.144 10.926 -21.553 1.00 0.00 C ATOM 313 CZ PHE A 7 6.177 10.136 -20.425 1.00 0.00 C ATOM 0 H PHE A 7 11.034 12.143 -19.695 1.00 0.00 H new ATOM 0 HA PHE A 7 10.063 12.421 -22.492 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.228 13.777 -19.891 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.566 14.145 -21.472 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.722 11.609 -18.792 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.006 12.587 -22.572 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.124 9.771 -18.553 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.419 10.731 -22.330 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.478 9.320 -20.315 1.00 0.00 H new ATOM 323 N PHE A 8 11.338 14.502 -23.023 1.00 0.00 N ATOM 324 CA PHE A 8 12.196 15.640 -23.406 1.00 0.00 C ATOM 325 C PHE A 8 11.381 16.661 -24.195 1.00 0.00 C ATOM 326 O PHE A 8 10.276 16.350 -24.665 1.00 0.00 O ATOM 327 CB PHE A 8 13.434 15.156 -24.198 1.00 0.00 C ATOM 328 CG PHE A 8 14.228 14.099 -23.442 1.00 0.00 C ATOM 329 CD1 PHE A 8 14.981 14.436 -22.313 1.00 0.00 C ATOM 330 CD2 PHE A 8 14.172 12.762 -23.819 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.643 13.464 -21.589 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.843 11.798 -23.107 1.00 0.00 C ATOM 333 CZ PHE A 8 15.576 12.145 -21.987 1.00 0.00 C ATOM 0 H PHE A 8 10.808 14.108 -23.800 1.00 0.00 H new ATOM 0 HA PHE A 8 12.566 16.127 -22.504 1.00 0.00 H new ATOM 0 HB2 PHE A 8 13.113 14.749 -25.157 1.00 0.00 H new ATOM 0 HB3 PHE A 8 14.080 16.007 -24.414 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.046 15.469 -22.004 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.592 12.477 -24.685 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.212 13.736 -20.713 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.798 10.766 -23.423 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.096 11.384 -21.424 1.00 0.00 H new ATOM 343 N ALA A 9 11.920 17.898 -24.268 1.00 0.00 N ATOM 344 CA ALA A 9 11.312 19.019 -24.995 1.00 0.00 C ATOM 345 C ALA A 9 9.881 19.332 -24.457 1.00 0.00 C ATOM 346 O ALA A 9 9.705 19.444 -23.237 1.00 0.00 O ATOM 347 CB ALA A 9 11.360 18.740 -26.503 1.00 0.00 C ATOM 0 H ALA A 9 12.801 18.142 -23.816 1.00 0.00 H new ATOM 0 HA ALA A 9 11.887 19.928 -24.821 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.908 19.573 -27.042 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.397 18.623 -26.819 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.809 17.825 -26.721 1.00 0.00 H new ATOM 353 N THR A 10 8.865 19.443 -25.353 1.00 0.00 N ATOM 354 CA THR A 10 7.484 19.802 -24.975 1.00 0.00 C ATOM 355 C THR A 10 6.843 18.731 -24.063 1.00 0.00 C ATOM 356 O THR A 10 6.181 19.064 -23.082 1.00 0.00 O ATOM 357 CB THR A 10 6.594 20.011 -26.247 1.00 0.00 C ATOM 358 OG1 THR A 10 7.329 20.745 -27.235 1.00 0.00 O ATOM 359 CG2 THR A 10 5.291 20.764 -25.920 1.00 0.00 C ATOM 0 H THR A 10 8.986 19.285 -26.353 1.00 0.00 H new ATOM 0 HA THR A 10 7.539 20.737 -24.418 1.00 0.00 H new ATOM 0 HB THR A 10 6.327 19.025 -26.628 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.771 20.873 -28.030 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.704 20.887 -26.830 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.715 20.194 -25.191 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.531 21.744 -25.507 1.00 0.00 H new ATOM 367 N PHE A 11 7.095 17.441 -24.381 1.00 0.00 N ATOM 368 CA PHE A 11 6.563 16.294 -23.598 1.00 0.00 C ATOM 369 C PHE A 11 7.082 16.320 -22.143 1.00 0.00 C ATOM 370 O PHE A 11 6.405 15.827 -21.232 1.00 0.00 O ATOM 371 CB PHE A 11 6.938 14.938 -24.277 1.00 0.00 C ATOM 372 CG PHE A 11 6.169 14.577 -25.559 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.225 15.436 -26.129 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.379 13.341 -26.181 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.527 15.072 -27.265 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.680 12.984 -27.322 1.00 0.00 C ATOM 377 CZ PHE A 11 4.753 13.848 -27.862 1.00 0.00 C ATOM 0 H PHE A 11 7.667 17.164 -25.179 1.00 0.00 H new ATOM 0 HA PHE A 11 5.477 16.387 -23.575 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.002 14.957 -24.511 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.785 14.139 -23.551 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.038 16.398 -25.675 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.099 12.653 -25.764 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.800 15.749 -27.688 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.862 12.027 -27.789 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.205 13.569 -28.750 1.00 0.00 H new ATOM 387 N ARG A 12 8.274 16.914 -21.943 1.00 0.00 N ATOM 388 CA ARG A 12 8.921 17.002 -20.622 1.00 0.00 C ATOM 389 C ARG A 12 8.123 17.921 -19.690 1.00 0.00 C ATOM 390 O ARG A 12 7.830 17.550 -18.548 1.00 0.00 O ATOM 391 CB ARG A 12 10.390 17.488 -20.772 1.00 0.00 C ATOM 392 CG ARG A 12 11.327 17.308 -19.535 1.00 0.00 C ATOM 393 CD ARG A 12 11.551 18.569 -18.669 1.00 0.00 C ATOM 394 NE ARG A 12 10.398 18.914 -17.814 1.00 0.00 N ATOM 395 CZ ARG A 12 10.278 20.033 -17.082 1.00 0.00 C ATOM 396 NH1 ARG A 12 11.247 20.936 -17.044 1.00 0.00 N ATOM 397 NH2 ARG A 12 9.177 20.243 -16.381 1.00 0.00 N ATOM 0 H ARG A 12 8.814 17.346 -22.693 1.00 0.00 H new ATOM 0 HA ARG A 12 8.938 16.009 -20.173 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.837 16.961 -21.615 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.372 18.546 -21.032 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.913 16.524 -18.901 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.297 16.955 -19.886 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.427 18.415 -18.038 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.773 19.413 -19.322 1.00 0.00 H new ATOM 0 HE ARG A 12 9.628 18.246 -17.776 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.104 20.787 -17.577 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.136 21.780 -16.482 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.423 19.556 -16.398 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.082 21.092 -15.823 1.00 0.00 H new ATOM 411 N GLU A 13 7.772 19.125 -20.189 1.00 0.00 N ATOM 412 CA GLU A 13 7.037 20.131 -19.389 1.00 0.00 C ATOM 413 C GLU A 13 5.553 19.744 -19.203 1.00 0.00 C ATOM 414 O GLU A 13 4.873 20.291 -18.332 1.00 0.00 O ATOM 415 CB GLU A 13 7.161 21.549 -20.007 1.00 0.00 C ATOM 416 CG GLU A 13 6.545 21.700 -21.417 1.00 0.00 C ATOM 417 CD GLU A 13 6.233 23.155 -21.809 1.00 0.00 C ATOM 418 OE1 GLU A 13 7.164 23.909 -22.153 1.00 0.00 O ATOM 419 OE2 GLU A 13 5.046 23.544 -21.789 1.00 0.00 O ATOM 0 H GLU A 13 7.985 19.425 -21.140 1.00 0.00 H new ATOM 0 HA GLU A 13 7.500 20.150 -18.403 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.682 22.264 -19.338 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.216 21.817 -20.057 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.231 21.276 -22.150 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.626 21.116 -21.466 1.00 0.00 H new ATOM 426 N VAL A 14 5.053 18.829 -20.046 1.00 0.00 N ATOM 427 CA VAL A 14 3.715 18.237 -19.881 1.00 0.00 C ATOM 428 C VAL A 14 3.664 17.384 -18.601 1.00 0.00 C ATOM 429 O VAL A 14 2.817 17.592 -17.728 1.00 0.00 O ATOM 430 CB VAL A 14 3.326 17.365 -21.127 1.00 0.00 C ATOM 431 CG1 VAL A 14 2.058 16.532 -20.851 1.00 0.00 C ATOM 432 CG2 VAL A 14 3.153 18.244 -22.390 1.00 0.00 C ATOM 0 H VAL A 14 5.561 18.479 -20.858 1.00 0.00 H new ATOM 0 HA VAL A 14 2.994 19.050 -19.796 1.00 0.00 H new ATOM 0 HB VAL A 14 4.144 16.670 -21.314 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.814 15.939 -21.732 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.236 15.869 -20.005 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.227 17.199 -20.621 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.884 17.614 -23.238 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.365 18.977 -22.218 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.088 18.761 -22.605 1.00 0.00 H new ATOM 442 N VAL A 15 4.605 16.441 -18.517 1.00 0.00 N ATOM 443 CA VAL A 15 4.714 15.490 -17.399 1.00 0.00 C ATOM 444 C VAL A 15 5.347 16.164 -16.163 1.00 0.00 C ATOM 445 O VAL A 15 5.216 15.677 -15.034 1.00 0.00 O ATOM 446 CB VAL A 15 5.537 14.228 -17.872 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.664 13.148 -16.770 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.897 13.627 -19.148 1.00 0.00 C ATOM 0 H VAL A 15 5.323 16.311 -19.230 1.00 0.00 H new ATOM 0 HA VAL A 15 3.719 15.161 -17.099 1.00 0.00 H new ATOM 0 HB VAL A 15 6.548 14.568 -18.094 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.239 12.305 -17.152 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.172 13.571 -15.903 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.671 12.807 -16.478 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.471 12.757 -19.468 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.871 13.327 -18.934 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.898 14.374 -19.942 1.00 0.00 H new ATOM 458 N GLY A 16 6.008 17.319 -16.393 1.00 0.00 N ATOM 459 CA GLY A 16 6.734 18.041 -15.341 1.00 0.00 C ATOM 460 C GLY A 16 8.003 17.314 -14.901 1.00 0.00 C ATOM 461 O GLY A 16 8.640 17.685 -13.912 1.00 0.00 O ATOM 0 H GLY A 16 6.050 17.769 -17.307 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.996 19.036 -15.702 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.080 18.176 -14.480 1.00 0.00 H new ATOM 465 N GLN A 17 8.384 16.300 -15.688 1.00 0.00 N ATOM 466 CA GLN A 17 9.451 15.345 -15.366 1.00 0.00 C ATOM 467 C GLN A 17 10.259 15.051 -16.630 1.00 0.00 C ATOM 468 O GLN A 17 9.675 14.891 -17.712 1.00 0.00 O ATOM 469 CB GLN A 17 8.845 14.020 -14.819 1.00 0.00 C ATOM 470 CG GLN A 17 8.159 14.118 -13.437 1.00 0.00 C ATOM 471 CD GLN A 17 9.151 14.302 -12.285 1.00 0.00 C ATOM 472 OE1 GLN A 17 9.484 15.423 -11.894 1.00 0.00 O ATOM 473 NE2 GLN A 17 9.648 13.188 -11.754 1.00 0.00 N ATOM 0 H GLN A 17 7.946 16.117 -16.591 1.00 0.00 H new ATOM 0 HA GLN A 17 10.097 15.777 -14.602 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.117 13.650 -15.540 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.640 13.276 -14.758 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.460 14.954 -13.444 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.574 13.215 -13.264 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.348 12.278 -12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.329 13.244 -10.997 1.00 0.00 H new ATOM 482 N LYS A 18 11.592 14.988 -16.486 1.00 0.00 N ATOM 483 CA LYS A 18 12.490 14.564 -17.577 1.00 0.00 C ATOM 484 C LYS A 18 12.565 13.034 -17.654 1.00 0.00 C ATOM 485 O LYS A 18 12.947 12.486 -18.679 1.00 0.00 O ATOM 486 CB LYS A 18 13.898 15.181 -17.416 1.00 0.00 C ATOM 487 CG LYS A 18 14.626 14.806 -16.108 1.00 0.00 C ATOM 488 CD LYS A 18 16.081 15.322 -16.078 1.00 0.00 C ATOM 489 CE LYS A 18 16.959 14.658 -17.158 1.00 0.00 C ATOM 490 NZ LYS A 18 18.324 15.231 -17.208 1.00 0.00 N ATOM 0 H LYS A 18 12.076 15.226 -15.620 1.00 0.00 H new ATOM 0 HA LYS A 18 12.075 14.932 -18.515 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.514 14.869 -18.260 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.811 16.266 -17.468 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.079 15.218 -15.260 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.625 13.722 -15.992 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.084 16.402 -16.224 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.512 15.132 -15.095 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.024 13.588 -16.962 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.483 14.775 -18.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.875 14.752 -17.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.266 16.247 -17.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.791 15.097 -16.288 1.00 0.00 H new ATOM 504 N SER A 19 12.217 12.367 -16.537 1.00 0.00 N ATOM 505 CA SER A 19 12.066 10.902 -16.448 1.00 0.00 C ATOM 506 C SER A 19 11.089 10.571 -15.297 1.00 0.00 C ATOM 507 O SER A 19 10.994 11.337 -14.325 1.00 0.00 O ATOM 508 CB SER A 19 13.436 10.195 -16.201 1.00 0.00 C ATOM 509 OG SER A 19 14.448 10.640 -17.098 1.00 0.00 O ATOM 0 H SER A 19 12.029 12.841 -15.654 1.00 0.00 H new ATOM 0 HA SER A 19 11.675 10.535 -17.397 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.757 10.379 -15.176 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.310 9.118 -16.306 1.00 0.00 H new ATOM 0 HG SER A 19 15.288 10.764 -16.608 1.00 0.00 H new ATOM 515 N ILE A 20 10.354 9.454 -15.428 1.00 0.00 N ATOM 516 CA ILE A 20 9.457 8.917 -14.371 1.00 0.00 C ATOM 517 C ILE A 20 9.667 7.406 -14.258 1.00 0.00 C ATOM 518 O ILE A 20 10.466 6.843 -15.003 1.00 0.00 O ATOM 519 CB ILE A 20 7.930 9.200 -14.674 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.472 8.518 -15.999 1.00 0.00 C ATOM 521 CG2 ILE A 20 7.648 10.703 -14.729 1.00 0.00 C ATOM 522 CD1 ILE A 20 6.051 8.859 -16.436 1.00 0.00 C ATOM 0 H ILE A 20 10.360 8.887 -16.276 1.00 0.00 H new ATOM 0 HA ILE A 20 9.710 9.421 -13.438 1.00 0.00 H new ATOM 0 HB ILE A 20 7.355 8.768 -13.855 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.160 8.803 -16.795 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.551 7.437 -15.881 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.591 10.867 -14.939 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.903 11.156 -13.771 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.249 11.157 -15.517 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.822 8.339 -17.366 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.348 8.547 -15.663 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.966 9.935 -16.591 1.00 0.00 H new ATOM 534 N TYR A 21 8.958 6.756 -13.327 1.00 0.00 N ATOM 535 CA TYR A 21 8.874 5.286 -13.270 1.00 0.00 C ATOM 536 C TYR A 21 7.396 4.859 -13.270 1.00 0.00 C ATOM 537 O TYR A 21 6.661 5.120 -12.314 1.00 0.00 O ATOM 538 CB TYR A 21 9.623 4.716 -12.040 1.00 0.00 C ATOM 539 CG TYR A 21 11.145 4.934 -12.080 1.00 0.00 C ATOM 540 CD1 TYR A 21 11.986 4.076 -12.810 1.00 0.00 C ATOM 541 CD2 TYR A 21 11.747 5.991 -11.390 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.353 4.270 -12.838 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.115 6.185 -11.418 1.00 0.00 C ATOM 544 CZ TYR A 21 13.913 5.321 -12.140 1.00 0.00 C ATOM 545 OH TYR A 21 15.280 5.513 -12.166 1.00 0.00 O ATOM 0 H TYR A 21 8.428 7.228 -12.595 1.00 0.00 H new ATOM 0 HA TYR A 21 9.365 4.875 -14.152 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.223 5.178 -11.137 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.421 3.647 -11.967 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.556 3.251 -13.358 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.129 6.671 -10.823 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.983 3.601 -13.405 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.557 7.009 -10.878 1.00 0.00 H new ATOM 0 HH TYR A 21 15.560 5.752 -13.074 1.00 0.00 H new ATOM 555 N TRP A 22 6.984 4.218 -14.367 1.00 0.00 N ATOM 556 CA TRP A 22 5.647 3.622 -14.546 1.00 0.00 C ATOM 557 C TRP A 22 5.693 2.132 -14.215 1.00 0.00 C ATOM 558 O TRP A 22 6.753 1.603 -13.897 1.00 0.00 O ATOM 559 CB TRP A 22 5.176 3.830 -16.021 1.00 0.00 C ATOM 560 CG TRP A 22 4.156 4.919 -16.217 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.143 6.159 -15.659 1.00 0.00 C ATOM 562 CD2 TRP A 22 3.014 4.855 -17.068 1.00 0.00 C ATOM 563 NE1 TRP A 22 3.075 6.875 -16.130 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.363 6.094 -16.994 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.488 3.863 -17.893 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.206 6.369 -17.711 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.342 4.133 -18.601 1.00 0.00 C ATOM 568 CH2 TRP A 22 0.717 5.380 -18.509 1.00 0.00 C ATOM 0 H TRP A 22 7.585 4.093 -15.182 1.00 0.00 H new ATOM 0 HA TRP A 22 4.941 4.109 -13.873 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.047 4.054 -16.636 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.759 2.892 -16.389 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.869 6.526 -14.948 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.848 7.837 -15.876 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.972 2.901 -17.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.714 7.328 -17.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.918 3.371 -19.238 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.177 5.564 -19.086 1.00 0.00 H new ATOM 579 N ARG A 23 4.536 1.467 -14.318 1.00 0.00 N ATOM 580 CA ARG A 23 4.435 0.015 -14.161 1.00 0.00 C ATOM 581 C ARG A 23 3.180 -0.499 -14.864 1.00 0.00 C ATOM 582 O ARG A 23 2.052 -0.252 -14.423 1.00 0.00 O ATOM 583 CB ARG A 23 4.480 -0.371 -12.667 1.00 0.00 C ATOM 584 CG ARG A 23 4.433 -1.890 -12.361 1.00 0.00 C ATOM 585 CD ARG A 23 4.984 -2.214 -10.952 1.00 0.00 C ATOM 586 NE ARG A 23 4.355 -1.388 -9.894 1.00 0.00 N ATOM 587 CZ ARG A 23 4.934 -0.334 -9.269 1.00 0.00 C ATOM 588 NH1 ARG A 23 6.195 0.003 -9.523 1.00 0.00 N ATOM 589 NH2 ARG A 23 4.238 0.364 -8.387 1.00 0.00 N ATOM 0 H ARG A 23 3.644 1.923 -14.513 1.00 0.00 H new ATOM 0 HA ARG A 23 5.291 -0.465 -14.635 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.391 0.040 -12.232 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.641 0.108 -12.162 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.405 -2.244 -12.439 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.013 -2.429 -13.110 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.816 -3.269 -10.733 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.062 -2.054 -10.941 1.00 0.00 H new ATOM 0 HE ARG A 23 3.406 -1.634 -9.612 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.741 -0.534 -10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.616 0.799 -9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.272 0.108 -8.181 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.667 1.159 -7.913 1.00 0.00 H new ATOM 603 N VAL A 24 3.407 -1.168 -15.999 1.00 0.00 N ATOM 604 CA VAL A 24 2.360 -1.790 -16.830 1.00 0.00 C ATOM 605 C VAL A 24 2.565 -3.315 -16.842 1.00 0.00 C ATOM 606 O VAL A 24 3.539 -3.804 -16.279 1.00 0.00 O ATOM 607 CB VAL A 24 2.397 -1.226 -18.308 1.00 0.00 C ATOM 608 CG1 VAL A 24 2.130 0.297 -18.335 1.00 0.00 C ATOM 609 CG2 VAL A 24 3.741 -1.558 -19.007 1.00 0.00 C ATOM 0 H VAL A 24 4.345 -1.298 -16.378 1.00 0.00 H new ATOM 0 HA VAL A 24 1.385 -1.551 -16.405 1.00 0.00 H new ATOM 0 HB VAL A 24 1.599 -1.719 -18.863 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.162 0.654 -19.364 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.147 0.502 -17.911 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.892 0.810 -17.749 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.733 -1.156 -20.020 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.563 -1.112 -18.446 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.873 -2.639 -19.046 1.00 0.00 H new ATOM 619 N ASP A 25 1.643 -4.042 -17.491 1.00 0.00 N ATOM 620 CA ASP A 25 1.747 -5.510 -17.734 1.00 0.00 C ATOM 621 C ASP A 25 3.095 -5.839 -18.444 1.00 0.00 C ATOM 622 O ASP A 25 3.586 -5.046 -19.250 1.00 0.00 O ATOM 623 CB ASP A 25 0.503 -5.940 -18.588 1.00 0.00 C ATOM 624 CG ASP A 25 0.308 -7.466 -18.830 1.00 0.00 C ATOM 625 OD1 ASP A 25 1.252 -8.153 -19.247 1.00 0.00 O ATOM 626 OD2 ASP A 25 -0.821 -7.980 -18.631 1.00 0.00 O ATOM 0 H ASP A 25 0.789 -3.633 -17.871 1.00 0.00 H new ATOM 0 HA ASP A 25 1.744 -6.068 -16.798 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.393 -5.557 -18.099 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.572 -5.449 -19.559 1.00 0.00 H new ATOM 631 N ASP A 26 3.695 -6.998 -18.122 1.00 0.00 N ATOM 632 CA ASP A 26 5.034 -7.376 -18.632 1.00 0.00 C ATOM 633 C ASP A 26 5.011 -7.644 -20.153 1.00 0.00 C ATOM 634 O ASP A 26 5.984 -7.370 -20.863 1.00 0.00 O ATOM 635 CB ASP A 26 5.546 -8.617 -17.870 1.00 0.00 C ATOM 636 CG ASP A 26 7.002 -8.973 -18.172 1.00 0.00 C ATOM 637 OD1 ASP A 26 7.896 -8.217 -17.745 1.00 0.00 O ATOM 638 OD2 ASP A 26 7.263 -10.020 -18.814 1.00 0.00 O ATOM 0 H ASP A 26 3.275 -7.696 -17.508 1.00 0.00 H new ATOM 0 HA ASP A 26 5.713 -6.540 -18.462 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.439 -8.443 -16.799 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.915 -9.470 -18.119 1.00 0.00 H new ATOM 643 N ASP A 27 3.866 -8.148 -20.634 1.00 0.00 N ATOM 644 CA ASP A 27 3.646 -8.457 -22.057 1.00 0.00 C ATOM 645 C ASP A 27 3.265 -7.198 -22.855 1.00 0.00 C ATOM 646 O ASP A 27 3.173 -7.252 -24.089 1.00 0.00 O ATOM 647 CB ASP A 27 2.530 -9.519 -22.201 1.00 0.00 C ATOM 648 CG ASP A 27 2.920 -10.878 -21.597 1.00 0.00 C ATOM 649 OD1 ASP A 27 2.720 -11.090 -20.381 1.00 0.00 O ATOM 650 OD2 ASP A 27 3.457 -11.738 -22.333 1.00 0.00 O ATOM 0 H ASP A 27 3.060 -8.355 -20.044 1.00 0.00 H new ATOM 0 HA ASP A 27 4.580 -8.847 -22.461 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.625 -9.156 -21.714 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.293 -9.650 -23.257 1.00 0.00 H new ATOM 655 N ALA A 28 3.036 -6.071 -22.155 1.00 0.00 N ATOM 656 CA ALA A 28 2.823 -4.762 -22.798 1.00 0.00 C ATOM 657 C ALA A 28 4.126 -4.292 -23.472 1.00 0.00 C ATOM 658 O ALA A 28 5.216 -4.779 -23.156 1.00 0.00 O ATOM 659 CB ALA A 28 2.330 -3.734 -21.776 1.00 0.00 C ATOM 0 H ALA A 28 2.994 -6.042 -21.136 1.00 0.00 H new ATOM 0 HA ALA A 28 2.054 -4.864 -23.564 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.179 -2.774 -22.270 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.388 -4.073 -21.344 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.072 -3.622 -20.985 1.00 0.00 H new ATOM 665 N THR A 29 4.011 -3.364 -24.425 1.00 0.00 N ATOM 666 CA THR A 29 5.159 -2.870 -25.207 1.00 0.00 C ATOM 667 C THR A 29 5.177 -1.328 -25.235 1.00 0.00 C ATOM 668 O THR A 29 4.307 -0.686 -24.642 1.00 0.00 O ATOM 669 CB THR A 29 5.125 -3.451 -26.658 1.00 0.00 C ATOM 670 OG1 THR A 29 3.914 -3.051 -27.302 1.00 0.00 O ATOM 671 CG2 THR A 29 5.210 -4.991 -26.682 1.00 0.00 C ATOM 0 H THR A 29 3.123 -2.931 -24.680 1.00 0.00 H new ATOM 0 HA THR A 29 6.075 -3.210 -24.724 1.00 0.00 H new ATOM 0 HB THR A 29 5.997 -3.059 -27.181 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.124 -2.459 -28.054 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.182 -5.341 -27.714 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.141 -5.311 -26.215 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.366 -5.411 -26.134 1.00 0.00 H new ATOM 679 N VAL A 30 6.199 -0.756 -25.912 1.00 0.00 N ATOM 680 CA VAL A 30 6.429 0.709 -26.014 1.00 0.00 C ATOM 681 C VAL A 30 5.177 1.462 -26.529 1.00 0.00 C ATOM 682 O VAL A 30 4.862 2.561 -26.049 1.00 0.00 O ATOM 683 CB VAL A 30 7.712 0.999 -26.899 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.685 0.199 -28.222 1.00 0.00 C ATOM 685 CG2 VAL A 30 7.921 2.516 -27.157 1.00 0.00 C ATOM 0 H VAL A 30 6.899 -1.305 -26.411 1.00 0.00 H new ATOM 0 HA VAL A 30 6.616 1.095 -25.012 1.00 0.00 H new ATOM 0 HB VAL A 30 8.572 0.656 -26.323 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.580 0.424 -28.802 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.654 -0.868 -28.001 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.801 0.476 -28.797 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.812 2.662 -27.767 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.053 2.919 -27.679 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.044 3.033 -26.206 1.00 0.00 H new ATOM 695 N GLY A 31 4.445 0.817 -27.446 1.00 0.00 N ATOM 696 CA GLY A 31 3.201 1.355 -27.995 1.00 0.00 C ATOM 697 C GLY A 31 2.045 1.363 -27.002 1.00 0.00 C ATOM 698 O GLY A 31 1.225 2.281 -27.015 1.00 0.00 O ATOM 0 H GLY A 31 4.702 -0.094 -27.827 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.378 2.373 -28.341 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.915 0.767 -28.867 1.00 0.00 H new ATOM 702 N ASP A 32 1.962 0.316 -26.164 1.00 0.00 N ATOM 703 CA ASP A 32 0.980 0.230 -25.062 1.00 0.00 C ATOM 704 C ASP A 32 1.251 1.312 -23.997 1.00 0.00 C ATOM 705 O ASP A 32 0.314 1.874 -23.408 1.00 0.00 O ATOM 706 CB ASP A 32 1.007 -1.180 -24.408 1.00 0.00 C ATOM 707 CG ASP A 32 -0.001 -1.336 -23.244 1.00 0.00 C ATOM 708 OD1 ASP A 32 0.345 -1.031 -22.078 1.00 0.00 O ATOM 709 OD2 ASP A 32 -1.142 -1.769 -23.484 1.00 0.00 O ATOM 0 H ASP A 32 2.574 -0.498 -26.229 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.010 0.400 -25.485 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.791 -1.930 -25.169 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.012 -1.382 -24.038 1.00 0.00 H new ATOM 714 N VAL A 33 2.543 1.587 -23.756 1.00 0.00 N ATOM 715 CA VAL A 33 2.979 2.606 -22.794 1.00 0.00 C ATOM 716 C VAL A 33 2.463 3.992 -23.204 1.00 0.00 C ATOM 717 O VAL A 33 1.637 4.565 -22.479 1.00 0.00 O ATOM 718 CB VAL A 33 4.558 2.572 -22.660 1.00 0.00 C ATOM 719 CG1 VAL A 33 5.117 3.810 -21.935 1.00 0.00 C ATOM 720 CG2 VAL A 33 5.007 1.277 -21.938 1.00 0.00 C ATOM 0 H VAL A 33 3.313 1.108 -24.224 1.00 0.00 H new ATOM 0 HA VAL A 33 2.555 2.387 -21.814 1.00 0.00 H new ATOM 0 HB VAL A 33 4.965 2.584 -23.671 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.203 3.735 -21.871 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.848 4.709 -22.490 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.697 3.864 -20.931 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.094 1.266 -21.852 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.564 1.243 -20.943 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.679 0.409 -22.510 1.00 0.00 H new ATOM 730 N LEU A 34 2.842 4.477 -24.400 1.00 0.00 N ATOM 731 CA LEU A 34 2.389 5.794 -24.905 1.00 0.00 C ATOM 732 C LEU A 34 0.855 5.819 -25.115 1.00 0.00 C ATOM 733 O LEU A 34 0.221 6.862 -24.951 1.00 0.00 O ATOM 734 CB LEU A 34 3.206 6.261 -26.151 1.00 0.00 C ATOM 735 CG LEU A 34 3.471 5.225 -27.298 1.00 0.00 C ATOM 736 CD1 LEU A 34 2.285 5.100 -28.261 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.776 5.564 -28.057 1.00 0.00 C ATOM 0 H LEU A 34 3.462 3.979 -25.039 1.00 0.00 H new ATOM 0 HA LEU A 34 2.599 6.538 -24.136 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.687 7.115 -26.587 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.173 6.621 -25.799 1.00 0.00 H new ATOM 0 HG LEU A 34 3.592 4.250 -26.825 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.521 4.370 -29.036 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.403 4.773 -27.711 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.087 6.068 -28.722 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.938 4.831 -28.848 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.694 6.559 -28.495 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.617 5.541 -27.363 1.00 0.00 H new ATOM 749 N ARG A 35 0.264 4.654 -25.446 1.00 0.00 N ATOM 750 CA ARG A 35 -1.206 4.491 -25.480 1.00 0.00 C ATOM 751 C ARG A 35 -1.853 4.925 -24.152 1.00 0.00 C ATOM 752 O ARG A 35 -2.829 5.660 -24.138 1.00 0.00 O ATOM 753 CB ARG A 35 -1.582 3.016 -25.831 1.00 0.00 C ATOM 754 CG ARG A 35 -3.069 2.592 -25.637 1.00 0.00 C ATOM 755 CD ARG A 35 -4.051 3.610 -26.228 1.00 0.00 C ATOM 756 NE ARG A 35 -5.465 3.218 -26.106 1.00 0.00 N ATOM 757 CZ ARG A 35 -6.496 4.081 -26.158 1.00 0.00 C ATOM 758 NH1 ARG A 35 -6.292 5.391 -26.194 1.00 0.00 N ATOM 759 NH2 ARG A 35 -7.736 3.638 -26.136 1.00 0.00 N ATOM 0 H ARG A 35 0.781 3.811 -25.694 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.599 5.143 -26.260 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.314 2.838 -26.872 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.961 2.356 -25.225 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.231 1.621 -26.106 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.273 2.470 -24.573 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.906 4.570 -25.732 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.815 3.758 -27.282 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.677 2.229 -25.974 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.341 5.760 -26.182 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.086 6.030 -26.233 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.919 2.636 -26.079 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.514 4.297 -26.176 1.00 0.00 H new ATOM 773 N SER A 36 -1.319 4.448 -23.058 1.00 0.00 N ATOM 774 CA SER A 36 -1.843 4.751 -21.735 1.00 0.00 C ATOM 775 C SER A 36 -1.473 6.195 -21.291 1.00 0.00 C ATOM 776 O SER A 36 -2.231 6.837 -20.554 1.00 0.00 O ATOM 777 CB SER A 36 -1.375 3.675 -20.768 1.00 0.00 C ATOM 778 OG SER A 36 -1.685 2.383 -21.252 1.00 0.00 O ATOM 0 H SER A 36 -0.504 3.835 -23.051 1.00 0.00 H new ATOM 0 HA SER A 36 -2.933 4.736 -21.750 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.299 3.761 -20.617 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.846 3.825 -19.797 1.00 0.00 H new ATOM 0 HG SER A 36 -1.064 2.146 -21.972 1.00 0.00 H new ATOM 784 N LEU A 37 -0.279 6.683 -21.729 1.00 0.00 N ATOM 785 CA LEU A 37 0.222 8.054 -21.408 1.00 0.00 C ATOM 786 C LEU A 37 -0.765 9.168 -21.830 1.00 0.00 C ATOM 787 O LEU A 37 -0.841 10.189 -21.156 1.00 0.00 O ATOM 788 CB LEU A 37 1.635 8.325 -22.043 1.00 0.00 C ATOM 789 CG LEU A 37 2.896 8.091 -21.139 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.842 8.927 -19.845 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.125 6.616 -20.834 1.00 0.00 C ATOM 0 H LEU A 37 0.361 6.143 -22.311 1.00 0.00 H new ATOM 0 HA LEU A 37 0.313 8.084 -20.322 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.733 7.693 -22.926 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.656 9.359 -22.387 1.00 0.00 H new ATOM 0 HG LEU A 37 3.754 8.436 -21.717 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.734 8.734 -19.250 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.797 9.986 -20.098 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.957 8.653 -19.271 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.009 6.507 -20.206 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.257 6.213 -20.312 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.273 6.070 -21.766 1.00 0.00 H new ATOM 803 N GLU A 38 -1.495 8.983 -22.949 1.00 0.00 N ATOM 804 CA GLU A 38 -2.479 9.996 -23.424 1.00 0.00 C ATOM 805 C GLU A 38 -3.777 9.970 -22.612 1.00 0.00 C ATOM 806 O GLU A 38 -4.482 10.979 -22.529 1.00 0.00 O ATOM 807 CB GLU A 38 -2.760 9.848 -24.945 1.00 0.00 C ATOM 808 CG GLU A 38 -3.098 8.425 -25.467 1.00 0.00 C ATOM 809 CD GLU A 38 -4.590 8.023 -25.382 1.00 0.00 C ATOM 810 OE1 GLU A 38 -5.349 8.316 -26.329 1.00 0.00 O ATOM 811 OE2 GLU A 38 -5.016 7.404 -24.389 1.00 0.00 O ATOM 0 H GLU A 38 -1.428 8.154 -23.539 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.025 10.974 -23.264 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.589 10.508 -25.202 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.886 10.208 -25.487 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.779 8.353 -26.507 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.511 7.701 -24.902 1.00 0.00 H new ATOM 818 N ALA A 39 -4.085 8.808 -22.029 1.00 0.00 N ATOM 819 CA ALA A 39 -5.262 8.634 -21.167 1.00 0.00 C ATOM 820 C ALA A 39 -5.055 9.348 -19.823 1.00 0.00 C ATOM 821 O ALA A 39 -6.012 9.804 -19.192 1.00 0.00 O ATOM 822 CB ALA A 39 -5.531 7.141 -20.957 1.00 0.00 C ATOM 0 H ALA A 39 -3.527 7.961 -22.140 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.130 9.081 -21.653 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.405 7.015 -20.317 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.715 6.665 -21.920 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.665 6.678 -20.484 1.00 0.00 H new ATOM 828 N GLU A 40 -3.787 9.413 -19.394 1.00 0.00 N ATOM 829 CA GLU A 40 -3.385 10.143 -18.187 1.00 0.00 C ATOM 830 C GLU A 40 -3.281 11.636 -18.484 1.00 0.00 C ATOM 831 O GLU A 40 -3.945 12.459 -17.856 1.00 0.00 O ATOM 832 CB GLU A 40 -2.003 9.649 -17.712 1.00 0.00 C ATOM 833 CG GLU A 40 -1.911 8.160 -17.399 1.00 0.00 C ATOM 834 CD GLU A 40 -2.721 7.727 -16.167 1.00 0.00 C ATOM 835 OE1 GLU A 40 -2.202 7.842 -15.034 1.00 0.00 O ATOM 836 OE2 GLU A 40 -3.873 7.260 -16.321 1.00 0.00 O ATOM 0 H GLU A 40 -3.011 8.960 -19.876 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.135 9.968 -17.416 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.267 9.887 -18.480 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.724 10.208 -16.819 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.257 7.596 -18.265 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.865 7.896 -17.244 1.00 0.00 H new ATOM 843 N TYR A 41 -2.407 11.958 -19.451 1.00 0.00 N ATOM 844 CA TYR A 41 -1.987 13.322 -19.753 1.00 0.00 C ATOM 845 C TYR A 41 -2.742 13.865 -20.976 1.00 0.00 C ATOM 846 O TYR A 41 -2.612 13.325 -22.084 1.00 0.00 O ATOM 847 CB TYR A 41 -0.459 13.384 -20.007 1.00 0.00 C ATOM 848 CG TYR A 41 0.404 12.996 -18.794 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.764 11.668 -18.554 1.00 0.00 C ATOM 850 CD2 TYR A 41 0.854 13.961 -17.889 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.532 11.318 -17.462 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.622 13.609 -16.795 1.00 0.00 C ATOM 853 CZ TYR A 41 1.959 12.289 -16.587 1.00 0.00 C ATOM 854 OH TYR A 41 2.724 11.944 -15.496 1.00 0.00 O ATOM 0 H TYR A 41 -1.969 11.260 -20.052 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.224 13.943 -18.889 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.214 12.722 -20.838 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.195 14.395 -20.316 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.435 10.899 -19.237 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.598 14.998 -18.047 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.797 10.284 -17.295 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.958 14.368 -16.104 1.00 0.00 H new ATOM 0 HH TYR A 41 2.942 12.749 -14.981 1.00 0.00 H new ATOM 864 N ASP A 42 -3.510 14.941 -20.762 1.00 0.00 N ATOM 865 CA ASP A 42 -4.196 15.671 -21.847 1.00 0.00 C ATOM 866 C ASP A 42 -3.165 16.384 -22.743 1.00 0.00 C ATOM 867 O ASP A 42 -3.398 16.590 -23.937 1.00 0.00 O ATOM 868 CB ASP A 42 -5.193 16.707 -21.274 1.00 0.00 C ATOM 869 CG ASP A 42 -6.282 16.086 -20.382 1.00 0.00 C ATOM 870 OD1 ASP A 42 -7.274 15.547 -20.917 1.00 0.00 O ATOM 871 OD2 ASP A 42 -6.160 16.148 -19.137 1.00 0.00 O ATOM 0 H ASP A 42 -3.676 15.333 -19.835 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.752 14.946 -22.442 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.641 17.449 -20.696 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.669 17.236 -22.100 1.00 0.00 H new ATOM 876 N GLY A 43 -2.014 16.745 -22.134 1.00 0.00 N ATOM 877 CA GLY A 43 -0.890 17.356 -22.846 1.00 0.00 C ATOM 878 C GLY A 43 -0.046 16.362 -23.634 1.00 0.00 C ATOM 879 O GLY A 43 0.934 16.757 -24.263 1.00 0.00 O ATOM 0 H GLY A 43 -1.847 16.618 -21.136 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.274 18.114 -23.529 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.252 17.869 -22.126 1.00 0.00 H new ATOM 883 N LEU A 44 -0.381 15.063 -23.557 1.00 0.00 N ATOM 884 CA LEU A 44 0.233 14.019 -24.401 1.00 0.00 C ATOM 885 C LEU A 44 -0.815 13.412 -25.344 1.00 0.00 C ATOM 886 O LEU A 44 -0.491 12.523 -26.119 1.00 0.00 O ATOM 887 CB LEU A 44 0.886 12.912 -23.540 1.00 0.00 C ATOM 888 CG LEU A 44 2.123 13.328 -22.685 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.658 12.150 -21.852 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.238 13.931 -23.554 1.00 0.00 C ATOM 0 H LEU A 44 -1.084 14.706 -22.910 1.00 0.00 H new ATOM 0 HA LEU A 44 1.017 14.487 -24.996 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.127 12.511 -22.868 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.187 12.100 -24.201 1.00 0.00 H new ATOM 0 HG LEU A 44 1.785 14.100 -21.994 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.519 12.478 -21.270 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.877 11.797 -21.178 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.957 11.340 -22.517 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.082 14.208 -22.922 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.562 13.196 -24.291 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.862 14.817 -24.066 1.00 0.00 H new ATOM 902 N ALA A 45 -2.053 13.928 -25.313 1.00 0.00 N ATOM 903 CA ALA A 45 -3.168 13.388 -26.114 1.00 0.00 C ATOM 904 C ALA A 45 -3.014 13.727 -27.626 1.00 0.00 C ATOM 905 O ALA A 45 -2.852 14.896 -27.991 1.00 0.00 O ATOM 906 CB ALA A 45 -4.491 13.927 -25.563 1.00 0.00 C ATOM 0 H ALA A 45 -2.311 14.728 -24.735 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.157 12.301 -26.035 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.319 13.531 -26.152 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.605 13.619 -24.524 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.493 15.015 -25.621 1.00 0.00 H new ATOM 912 N GLY A 46 -3.013 12.676 -28.477 1.00 0.00 N ATOM 913 CA GLY A 46 -3.111 12.821 -29.947 1.00 0.00 C ATOM 914 C GLY A 46 -1.805 13.172 -30.653 1.00 0.00 C ATOM 915 O GLY A 46 -1.802 13.436 -31.862 1.00 0.00 O ATOM 0 H GLY A 46 -2.945 11.707 -28.165 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.491 11.888 -30.364 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.846 13.594 -30.172 1.00 0.00 H new ATOM 919 N ARG A 47 -0.697 13.144 -29.909 1.00 0.00 N ATOM 920 CA ARG A 47 0.637 13.584 -30.397 1.00 0.00 C ATOM 921 C ARG A 47 1.696 12.487 -30.202 1.00 0.00 C ATOM 922 O ARG A 47 2.871 12.680 -30.530 1.00 0.00 O ATOM 923 CB ARG A 47 1.017 14.873 -29.632 1.00 0.00 C ATOM 924 CG ARG A 47 0.946 14.704 -28.102 1.00 0.00 C ATOM 925 CD ARG A 47 0.903 16.028 -27.337 1.00 0.00 C ATOM 926 NE ARG A 47 -0.233 16.882 -27.736 1.00 0.00 N ATOM 927 CZ ARG A 47 -0.569 18.049 -27.163 1.00 0.00 C ATOM 928 NH1 ARG A 47 0.149 18.561 -26.172 1.00 0.00 N ATOM 929 NH2 ARG A 47 -1.630 18.705 -27.589 1.00 0.00 N ATOM 0 H ARG A 47 -0.687 12.815 -28.943 1.00 0.00 H new ATOM 0 HA ARG A 47 0.595 13.782 -31.468 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.027 15.172 -29.913 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.349 15.680 -29.935 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.060 14.121 -27.851 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.811 14.130 -27.768 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.840 15.823 -26.268 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.835 16.569 -27.503 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.811 16.559 -28.512 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.974 18.067 -25.831 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.124 19.449 -25.751 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.192 18.326 -28.351 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.889 19.592 -27.157 1.00 0.00 H new ATOM 943 N LEU A 48 1.253 11.330 -29.683 1.00 0.00 N ATOM 944 CA LEU A 48 2.120 10.173 -29.352 1.00 0.00 C ATOM 945 C LEU A 48 1.570 8.878 -29.989 1.00 0.00 C ATOM 946 O LEU A 48 2.219 7.840 -29.931 1.00 0.00 O ATOM 947 CB LEU A 48 2.263 10.033 -27.801 1.00 0.00 C ATOM 948 CG LEU A 48 1.086 9.390 -26.978 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.260 9.682 -25.469 1.00 0.00 C ATOM 950 CD2 LEU A 48 -0.314 9.810 -27.469 1.00 0.00 C ATOM 0 H LEU A 48 0.268 11.164 -29.476 1.00 0.00 H new ATOM 0 HA LEU A 48 3.112 10.346 -29.768 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.160 9.445 -27.606 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.441 11.029 -27.396 1.00 0.00 H new ATOM 0 HG LEU A 48 1.145 8.314 -27.144 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.438 9.230 -24.914 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.205 9.262 -25.124 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.260 10.760 -25.305 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.075 9.328 -26.855 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.417 10.892 -27.392 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.441 9.507 -28.508 1.00 0.00 H new ATOM 962 N ILE A 49 0.336 8.963 -30.559 1.00 0.00 N ATOM 963 CA ILE A 49 -0.286 7.909 -31.391 1.00 0.00 C ATOM 964 C ILE A 49 -0.804 8.548 -32.686 1.00 0.00 C ATOM 965 O ILE A 49 -1.449 9.609 -32.643 1.00 0.00 O ATOM 966 CB ILE A 49 -1.468 7.148 -30.669 1.00 0.00 C ATOM 967 CG1 ILE A 49 -0.932 6.278 -29.500 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.302 6.278 -31.664 1.00 0.00 C ATOM 969 CD1 ILE A 49 -1.978 5.410 -28.824 1.00 0.00 C ATOM 0 H ILE A 49 -0.260 9.783 -30.447 1.00 0.00 H new ATOM 0 HA ILE A 49 0.482 7.162 -31.593 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.136 7.907 -30.262 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.136 5.636 -29.878 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.485 6.933 -28.752 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.103 5.774 -31.123 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.731 6.918 -32.435 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.654 5.535 -32.129 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.513 4.838 -28.021 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.764 6.042 -28.411 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.409 4.725 -29.554 1.00 0.00 H new ATOM 981 N GLU A 50 -0.493 7.919 -33.835 1.00 0.00 N ATOM 982 CA GLU A 50 -1.103 8.251 -35.129 1.00 0.00 C ATOM 983 C GLU A 50 -1.510 6.968 -35.854 1.00 0.00 C ATOM 984 O GLU A 50 -0.643 6.208 -36.294 1.00 0.00 O ATOM 985 CB GLU A 50 -0.131 9.061 -36.011 1.00 0.00 C ATOM 986 CG GLU A 50 -0.698 9.516 -37.374 1.00 0.00 C ATOM 987 CD GLU A 50 -1.940 10.407 -37.246 1.00 0.00 C ATOM 988 OE1 GLU A 50 -1.790 11.604 -36.914 1.00 0.00 O ATOM 989 OE2 GLU A 50 -3.067 9.921 -37.463 1.00 0.00 O ATOM 0 H GLU A 50 0.191 7.164 -33.888 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.986 8.863 -34.942 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.187 9.943 -35.456 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.759 8.458 -36.190 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.075 10.058 -37.919 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.949 8.637 -37.967 1.00 0.00 H new ATOM 996 N ASP A 51 -2.829 6.717 -35.934 1.00 0.00 N ATOM 997 CA ASP A 51 -3.427 5.643 -36.766 1.00 0.00 C ATOM 998 C ASP A 51 -2.859 4.241 -36.391 1.00 0.00 C ATOM 999 O ASP A 51 -2.782 3.324 -37.218 1.00 0.00 O ATOM 1000 CB ASP A 51 -3.193 6.012 -38.272 1.00 0.00 C ATOM 1001 CG ASP A 51 -3.938 5.116 -39.278 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -5.174 5.217 -39.372 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -3.287 4.331 -39.998 1.00 0.00 O ATOM 0 H ASP A 51 -3.523 7.258 -35.418 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.499 5.574 -36.580 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.500 7.046 -38.430 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.125 5.961 -38.483 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.508 4.082 -35.104 1.00 0.00 N ATOM 1009 CA GLY A 52 -2.046 2.799 -34.564 1.00 0.00 C ATOM 1010 C GLY A 52 -0.531 2.581 -34.592 1.00 0.00 C ATOM 1011 O GLY A 52 -0.070 1.507 -34.197 1.00 0.00 O ATOM 0 H GLY A 52 -2.537 4.835 -34.416 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.389 2.714 -33.533 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.522 1.995 -35.126 1.00 0.00 H new ATOM 1015 N GLU A 53 0.241 3.565 -35.085 1.00 0.00 N ATOM 1016 CA GLU A 53 1.709 3.631 -34.866 1.00 0.00 C ATOM 1017 C GLU A 53 2.011 4.780 -33.893 1.00 0.00 C ATOM 1018 O GLU A 53 1.078 5.389 -33.351 1.00 0.00 O ATOM 1019 CB GLU A 53 2.502 3.849 -36.175 1.00 0.00 C ATOM 1020 CG GLU A 53 2.201 5.191 -36.867 1.00 0.00 C ATOM 1021 CD GLU A 53 3.316 5.656 -37.808 1.00 0.00 C ATOM 1022 OE1 GLU A 53 3.316 5.255 -38.989 1.00 0.00 O ATOM 1023 OE2 GLU A 53 4.213 6.413 -37.361 1.00 0.00 O ATOM 0 H GLU A 53 -0.125 4.336 -35.644 1.00 0.00 H new ATOM 0 HA GLU A 53 2.025 2.672 -34.457 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.568 3.795 -35.956 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.276 3.036 -36.865 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.274 5.099 -37.433 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.036 5.954 -36.106 1.00 0.00 H new ATOM 1030 N VAL A 54 3.315 5.065 -33.658 1.00 0.00 N ATOM 1031 CA VAL A 54 3.705 6.149 -32.739 1.00 0.00 C ATOM 1032 C VAL A 54 3.270 7.540 -33.264 1.00 0.00 C ATOM 1033 O VAL A 54 2.452 8.148 -32.620 1.00 0.00 O ATOM 1034 CB VAL A 54 5.256 6.124 -32.435 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.606 4.911 -31.554 1.00 0.00 C ATOM 1036 CG2 VAL A 54 6.111 6.112 -33.732 1.00 0.00 C ATOM 0 H VAL A 54 4.097 4.568 -34.085 1.00 0.00 H new ATOM 0 HA VAL A 54 3.175 5.971 -31.803 1.00 0.00 H new ATOM 0 HB VAL A 54 5.496 7.042 -31.899 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.677 4.905 -31.352 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.059 4.975 -30.613 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.330 3.993 -32.073 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.169 6.095 -33.470 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.868 5.227 -34.320 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.897 7.006 -34.317 1.00 0.00 H new ATOM 1046 N LYS A 55 3.683 7.940 -34.492 1.00 0.00 N ATOM 1047 CA LYS A 55 3.406 9.285 -35.087 1.00 0.00 C ATOM 1048 C LYS A 55 4.541 9.639 -36.054 1.00 0.00 C ATOM 1049 O LYS A 55 5.716 9.405 -35.737 1.00 0.00 O ATOM 1050 CB LYS A 55 3.252 10.434 -34.019 1.00 0.00 C ATOM 1051 CG LYS A 55 3.071 11.891 -34.522 1.00 0.00 C ATOM 1052 CD LYS A 55 1.618 12.197 -34.965 1.00 0.00 C ATOM 1053 CE LYS A 55 0.597 12.024 -33.821 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.800 12.274 -34.260 1.00 0.00 N ATOM 0 H LYS A 55 4.225 7.336 -35.110 1.00 0.00 H new ATOM 0 HA LYS A 55 2.447 9.214 -35.601 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.395 10.191 -33.391 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.133 10.411 -33.378 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.358 12.582 -33.730 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.746 12.068 -35.359 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.565 13.218 -35.342 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.348 11.538 -35.790 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.673 11.013 -33.421 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.847 12.707 -33.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.336 12.707 -33.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.797 12.917 -35.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.246 11.374 -34.529 1.00 0.00 H new ATOM 1068 N PRO A 56 4.209 10.183 -37.257 1.00 0.00 N ATOM 1069 CA PRO A 56 5.189 10.856 -38.131 1.00 0.00 C ATOM 1070 C PRO A 56 5.871 12.038 -37.397 1.00 0.00 C ATOM 1071 O PRO A 56 5.183 12.877 -36.798 1.00 0.00 O ATOM 1072 CB PRO A 56 4.318 11.352 -39.332 1.00 0.00 C ATOM 1073 CG PRO A 56 2.914 11.333 -38.807 1.00 0.00 C ATOM 1074 CD PRO A 56 2.866 10.156 -37.883 1.00 0.00 C ATOM 0 HA PRO A 56 6.005 10.204 -38.443 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.610 12.353 -39.648 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.427 10.700 -40.198 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.676 12.258 -38.282 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.191 11.230 -39.616 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.072 10.253 -37.143 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.688 9.225 -38.421 1.00 0.00 H new ATOM 1082 N HIS A 57 7.216 12.042 -37.419 1.00 0.00 N ATOM 1083 CA HIS A 57 8.080 13.141 -36.919 1.00 0.00 C ATOM 1084 C HIS A 57 8.319 13.115 -35.404 1.00 0.00 C ATOM 1085 O HIS A 57 9.224 13.817 -34.935 1.00 0.00 O ATOM 1086 CB HIS A 57 7.601 14.547 -37.391 1.00 0.00 C ATOM 1087 CG HIS A 57 7.655 14.729 -38.893 1.00 0.00 C ATOM 1088 ND1 HIS A 57 8.714 15.328 -39.538 1.00 0.00 N ATOM 1089 CD2 HIS A 57 6.795 14.350 -39.870 1.00 0.00 C ATOM 1090 CE1 HIS A 57 8.502 15.309 -40.837 1.00 0.00 C ATOM 1091 NE2 HIS A 57 7.347 14.725 -41.064 1.00 0.00 N ATOM 0 H HIS A 57 7.753 11.261 -37.795 1.00 0.00 H new ATOM 0 HA HIS A 57 9.049 12.949 -37.379 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.578 14.707 -37.050 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.218 15.311 -36.918 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.850 13.846 -39.731 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.166 15.707 -41.590 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.929 14.575 -41.982 1.00 0.00 H new ATOM 1100 N VAL A 58 7.525 12.339 -34.633 1.00 0.00 N ATOM 1101 CA VAL A 58 7.785 12.171 -33.189 1.00 0.00 C ATOM 1102 C VAL A 58 9.062 11.331 -33.045 1.00 0.00 C ATOM 1103 O VAL A 58 9.191 10.295 -33.702 1.00 0.00 O ATOM 1104 CB VAL A 58 6.555 11.523 -32.408 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.476 9.985 -32.542 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.552 11.941 -30.923 1.00 0.00 C ATOM 0 H VAL A 58 6.713 11.828 -34.980 1.00 0.00 H new ATOM 0 HA VAL A 58 7.920 13.150 -32.729 1.00 0.00 H new ATOM 0 HB VAL A 58 5.660 11.919 -32.889 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.615 9.615 -31.985 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.371 9.716 -33.593 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.386 9.538 -32.142 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.702 11.483 -30.418 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.476 11.610 -30.450 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.476 13.026 -30.851 1.00 0.00 H new ATOM 1116 N ASN A 59 10.051 11.819 -32.289 1.00 0.00 N ATOM 1117 CA ASN A 59 11.297 11.071 -32.087 1.00 0.00 C ATOM 1118 C ASN A 59 11.164 10.284 -30.792 1.00 0.00 C ATOM 1119 O ASN A 59 11.278 10.836 -29.710 1.00 0.00 O ATOM 1120 CB ASN A 59 12.515 12.028 -32.050 1.00 0.00 C ATOM 1121 CG ASN A 59 12.774 12.732 -33.383 1.00 0.00 C ATOM 1122 OD1 ASN A 59 12.278 13.836 -33.629 1.00 0.00 O ATOM 1123 ND2 ASN A 59 13.561 12.106 -34.251 1.00 0.00 N ATOM 0 H ASN A 59 10.015 12.719 -31.811 1.00 0.00 H new ATOM 0 HA ASN A 59 11.466 10.385 -32.917 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.355 12.779 -31.276 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.403 11.463 -31.767 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.771 12.537 -35.151 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.955 11.195 -34.017 1.00 0.00 H new ATOM 1130 N VAL A 60 10.926 8.982 -30.909 1.00 0.00 N ATOM 1131 CA VAL A 60 10.711 8.103 -29.750 1.00 0.00 C ATOM 1132 C VAL A 60 11.759 6.995 -29.736 1.00 0.00 C ATOM 1133 O VAL A 60 12.045 6.380 -30.759 1.00 0.00 O ATOM 1134 CB VAL A 60 9.257 7.501 -29.707 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.232 8.533 -29.156 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.805 6.988 -31.093 1.00 0.00 C ATOM 0 H VAL A 60 10.875 8.500 -31.807 1.00 0.00 H new ATOM 0 HA VAL A 60 10.819 8.713 -28.853 1.00 0.00 H new ATOM 0 HB VAL A 60 9.290 6.650 -29.027 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.238 8.086 -29.140 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.516 8.823 -28.145 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.222 9.414 -29.797 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.797 6.581 -31.019 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.812 7.812 -31.806 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.487 6.209 -31.433 1.00 0.00 H new ATOM 1146 N LEU A 61 12.324 6.777 -28.546 1.00 0.00 N ATOM 1147 CA LEU A 61 13.486 5.913 -28.315 1.00 0.00 C ATOM 1148 C LEU A 61 13.158 4.768 -27.363 1.00 0.00 C ATOM 1149 O LEU A 61 12.093 4.727 -26.737 1.00 0.00 O ATOM 1150 CB LEU A 61 14.692 6.728 -27.758 1.00 0.00 C ATOM 1151 CG LEU A 61 15.399 7.709 -28.740 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.557 8.950 -29.052 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.801 8.099 -28.233 1.00 0.00 C ATOM 0 H LEU A 61 11.976 7.209 -27.690 1.00 0.00 H new ATOM 0 HA LEU A 61 13.760 5.490 -29.281 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.345 7.301 -26.898 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.437 6.022 -27.390 1.00 0.00 H new ATOM 0 HG LEU A 61 15.516 7.170 -29.680 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.102 9.596 -29.741 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.615 8.645 -29.508 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.354 9.493 -28.129 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.267 8.784 -28.941 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.714 8.585 -27.261 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.415 7.204 -28.137 1.00 0.00 H new ATOM 1165 N LYS A 62 14.123 3.853 -27.253 1.00 0.00 N ATOM 1166 CA LYS A 62 14.023 2.645 -26.448 1.00 0.00 C ATOM 1167 C LYS A 62 15.447 2.168 -26.141 1.00 0.00 C ATOM 1168 O LYS A 62 16.126 1.633 -27.020 1.00 0.00 O ATOM 1169 CB LYS A 62 13.210 1.584 -27.243 1.00 0.00 C ATOM 1170 CG LYS A 62 13.105 0.152 -26.670 1.00 0.00 C ATOM 1171 CD LYS A 62 12.376 0.050 -25.311 1.00 0.00 C ATOM 1172 CE LYS A 62 13.333 0.183 -24.124 1.00 0.00 C ATOM 1173 NZ LYS A 62 14.435 -0.810 -24.219 1.00 0.00 N ATOM 0 H LYS A 62 15.017 3.939 -27.736 1.00 0.00 H new ATOM 0 HA LYS A 62 13.505 2.823 -25.506 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.197 1.967 -27.366 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.646 1.511 -28.239 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.585 -0.477 -27.393 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.110 -0.254 -26.559 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.616 0.829 -25.250 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.858 -0.907 -25.251 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.747 1.191 -24.097 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.786 0.038 -23.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.993 -0.794 -23.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.035 -1.760 -24.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.049 -0.571 -25.024 1.00 0.00 H new ATOM 1187 N ASN A 63 15.890 2.408 -24.888 1.00 0.00 N ATOM 1188 CA ASN A 63 17.247 2.042 -24.388 1.00 0.00 C ATOM 1189 C ASN A 63 18.347 2.686 -25.290 1.00 0.00 C ATOM 1190 O ASN A 63 19.405 2.099 -25.542 1.00 0.00 O ATOM 1191 CB ASN A 63 17.368 0.479 -24.282 1.00 0.00 C ATOM 1192 CG ASN A 63 18.433 -0.036 -23.290 1.00 0.00 C ATOM 1193 OD1 ASN A 63 19.471 0.583 -23.089 1.00 0.00 O ATOM 1194 ND2 ASN A 63 18.165 -1.173 -22.649 1.00 0.00 N ATOM 0 H ASN A 63 15.314 2.866 -24.182 1.00 0.00 H new ATOM 0 HA ASN A 63 17.399 2.442 -23.385 1.00 0.00 H new ATOM 0 HB2 ASN A 63 16.398 0.075 -23.990 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.594 0.081 -25.271 1.00 0.00 H new ATOM 0 HD21 ASN A 63 18.831 -1.547 -21.973 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.293 -1.670 -22.834 1.00 0.00 H new ATOM 1201 N GLY A 64 18.055 3.921 -25.758 1.00 0.00 N ATOM 1202 CA GLY A 64 18.958 4.689 -26.630 1.00 0.00 C ATOM 1203 C GLY A 64 18.725 4.485 -28.136 1.00 0.00 C ATOM 1204 O GLY A 64 19.226 5.271 -28.949 1.00 0.00 O ATOM 0 H GLY A 64 17.186 4.408 -25.539 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.849 5.749 -26.400 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.987 4.416 -26.395 1.00 0.00 H new ATOM 1208 N ARG A 65 17.944 3.458 -28.508 1.00 0.00 N ATOM 1209 CA ARG A 65 17.639 3.135 -29.922 1.00 0.00 C ATOM 1210 C ARG A 65 16.281 3.730 -30.313 1.00 0.00 C ATOM 1211 O ARG A 65 15.255 3.371 -29.733 1.00 0.00 O ATOM 1212 CB ARG A 65 17.634 1.600 -30.144 1.00 0.00 C ATOM 1213 CG ARG A 65 17.387 1.166 -31.611 1.00 0.00 C ATOM 1214 CD ARG A 65 18.430 1.743 -32.590 1.00 0.00 C ATOM 1215 NE ARG A 65 19.816 1.351 -32.240 1.00 0.00 N ATOM 1216 CZ ARG A 65 20.845 2.194 -32.039 1.00 0.00 C ATOM 1217 NH1 ARG A 65 20.664 3.506 -32.058 1.00 0.00 N ATOM 1218 NH2 ARG A 65 22.050 1.716 -31.794 1.00 0.00 N ATOM 0 H ARG A 65 17.503 2.825 -27.841 1.00 0.00 H new ATOM 0 HA ARG A 65 18.414 3.570 -30.553 1.00 0.00 H new ATOM 0 HB2 ARG A 65 18.590 1.194 -29.814 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.865 1.156 -29.512 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.403 0.078 -31.670 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.391 1.487 -31.917 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.203 1.401 -33.600 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.354 2.830 -32.597 1.00 0.00 H new ATOM 0 HE ARG A 65 20.006 0.354 -32.143 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.734 3.890 -32.227 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.454 4.132 -31.904 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.201 0.708 -31.757 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.831 2.355 -31.642 1.00 0.00 H new ATOM 1232 N GLU A 66 16.283 4.617 -31.320 1.00 0.00 N ATOM 1233 CA GLU A 66 15.095 5.373 -31.729 1.00 0.00 C ATOM 1234 C GLU A 66 14.166 4.502 -32.607 1.00 0.00 C ATOM 1235 O GLU A 66 14.459 4.250 -33.782 1.00 0.00 O ATOM 1236 CB GLU A 66 15.527 6.681 -32.446 1.00 0.00 C ATOM 1237 CG GLU A 66 14.452 7.784 -32.488 1.00 0.00 C ATOM 1238 CD GLU A 66 14.939 9.075 -33.166 1.00 0.00 C ATOM 1239 OE1 GLU A 66 15.099 9.082 -34.399 1.00 0.00 O ATOM 1240 OE2 GLU A 66 15.192 10.077 -32.470 1.00 0.00 O ATOM 0 H GLU A 66 17.113 4.829 -31.874 1.00 0.00 H new ATOM 0 HA GLU A 66 14.521 5.651 -30.845 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.412 7.076 -31.948 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.818 6.439 -33.468 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.577 7.410 -33.019 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.134 8.012 -31.471 1.00 0.00 H new ATOM 1247 N VAL A 67 13.037 4.073 -32.014 1.00 0.00 N ATOM 1248 CA VAL A 67 12.079 3.095 -32.593 1.00 0.00 C ATOM 1249 C VAL A 67 11.297 3.614 -33.818 1.00 0.00 C ATOM 1250 O VAL A 67 10.484 2.881 -34.376 1.00 0.00 O ATOM 1251 CB VAL A 67 11.105 2.548 -31.496 1.00 0.00 C ATOM 1252 CG1 VAL A 67 11.895 1.805 -30.411 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.233 3.663 -30.874 1.00 0.00 C ATOM 0 H VAL A 67 12.752 4.403 -31.092 1.00 0.00 H new ATOM 0 HA VAL A 67 12.693 2.277 -32.969 1.00 0.00 H new ATOM 0 HB VAL A 67 10.423 1.851 -31.983 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.207 1.429 -29.653 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.432 0.970 -30.860 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.607 2.488 -29.948 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.575 3.232 -30.119 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.876 4.412 -30.410 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.633 4.133 -31.653 1.00 0.00 H new ATOM 1263 N VAL A 68 11.527 4.871 -34.221 1.00 0.00 N ATOM 1264 CA VAL A 68 10.978 5.403 -35.489 1.00 0.00 C ATOM 1265 C VAL A 68 11.694 4.782 -36.712 1.00 0.00 C ATOM 1266 O VAL A 68 11.160 4.791 -37.826 1.00 0.00 O ATOM 1267 CB VAL A 68 11.083 6.967 -35.543 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.445 7.587 -34.291 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.542 7.451 -35.717 1.00 0.00 C ATOM 0 H VAL A 68 12.087 5.541 -33.694 1.00 0.00 H new ATOM 0 HA VAL A 68 9.924 5.126 -35.526 1.00 0.00 H new ATOM 0 HB VAL A 68 10.533 7.302 -36.423 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.525 8.673 -34.342 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.394 7.303 -34.239 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.963 7.226 -33.402 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.563 8.540 -35.749 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.144 7.101 -34.878 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.949 7.053 -36.647 1.00 0.00 H new ATOM 1279 N HIS A 69 12.920 4.265 -36.479 1.00 0.00 N ATOM 1280 CA HIS A 69 13.745 3.598 -37.509 1.00 0.00 C ATOM 1281 C HIS A 69 13.403 2.099 -37.597 1.00 0.00 C ATOM 1282 O HIS A 69 13.724 1.437 -38.586 1.00 0.00 O ATOM 1283 CB HIS A 69 15.254 3.770 -37.189 1.00 0.00 C ATOM 1284 CG HIS A 69 15.688 5.189 -36.936 1.00 0.00 C ATOM 1285 ND1 HIS A 69 15.482 6.217 -37.827 1.00 0.00 N ATOM 1286 CD2 HIS A 69 16.296 5.744 -35.866 1.00 0.00 C ATOM 1287 CE1 HIS A 69 15.940 7.342 -37.314 1.00 0.00 C ATOM 1288 NE2 HIS A 69 16.437 7.086 -36.123 1.00 0.00 N ATOM 0 H HIS A 69 13.368 4.299 -35.563 1.00 0.00 H new ATOM 0 HA HIS A 69 13.527 4.065 -38.469 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.496 3.169 -36.312 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.835 3.370 -38.020 1.00 0.00 H new ATOM 0 HD2 HIS A 69 16.613 5.228 -34.972 1.00 0.00 H new ATOM 0 HE1 HIS A 69 15.912 8.310 -37.791 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.857 7.771 -35.495 1.00 0.00 H new ATOM 1297 N LEU A 70 12.775 1.582 -36.527 1.00 0.00 N ATOM 1298 CA LEU A 70 12.359 0.174 -36.400 1.00 0.00 C ATOM 1299 C LEU A 70 10.890 0.140 -35.919 1.00 0.00 C ATOM 1300 O LEU A 70 10.084 0.950 -36.394 1.00 0.00 O ATOM 1301 CB LEU A 70 13.352 -0.639 -35.490 1.00 0.00 C ATOM 1302 CG LEU A 70 13.726 -0.042 -34.079 1.00 0.00 C ATOM 1303 CD1 LEU A 70 14.310 -1.119 -33.138 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.732 1.118 -34.208 1.00 0.00 C ATOM 0 H LEU A 70 12.537 2.143 -35.709 1.00 0.00 H new ATOM 0 HA LEU A 70 12.403 -0.327 -37.367 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.923 -1.628 -35.330 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.277 -0.779 -36.049 1.00 0.00 H new ATOM 0 HG LEU A 70 12.799 0.335 -33.648 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.555 -0.668 -32.176 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.575 -1.911 -32.991 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.212 -1.539 -33.582 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.968 1.507 -33.217 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.644 0.757 -34.683 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.296 1.912 -34.815 1.00 0.00 H new ATOM 1316 N ASP A 71 10.524 -0.780 -35.004 1.00 0.00 N ATOM 1317 CA ASP A 71 9.126 -0.951 -34.567 1.00 0.00 C ATOM 1318 C ASP A 71 8.792 0.052 -33.453 1.00 0.00 C ATOM 1319 O ASP A 71 9.287 -0.088 -32.326 1.00 0.00 O ATOM 1320 CB ASP A 71 8.893 -2.400 -34.060 1.00 0.00 C ATOM 1321 CG ASP A 71 7.497 -2.949 -34.400 1.00 0.00 C ATOM 1322 OD1 ASP A 71 6.490 -2.379 -33.927 1.00 0.00 O ATOM 1323 OD2 ASP A 71 7.400 -3.937 -35.159 1.00 0.00 O ATOM 0 H ASP A 71 11.180 -1.417 -34.553 1.00 0.00 H new ATOM 0 HA ASP A 71 8.472 -0.766 -35.419 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.648 -3.055 -34.494 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.032 -2.426 -32.979 1.00 0.00 H new ATOM 1328 N GLY A 72 7.957 1.050 -33.772 1.00 0.00 N ATOM 1329 CA GLY A 72 7.545 2.054 -32.794 1.00 0.00 C ATOM 1330 C GLY A 72 6.602 1.498 -31.737 1.00 0.00 C ATOM 1331 O GLY A 72 6.650 1.902 -30.572 1.00 0.00 O ATOM 0 H GLY A 72 7.556 1.180 -34.701 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.430 2.463 -32.306 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.056 2.879 -33.312 1.00 0.00 H new ATOM 1335 N MET A 73 5.693 0.621 -32.169 1.00 0.00 N ATOM 1336 CA MET A 73 4.655 0.023 -31.313 1.00 0.00 C ATOM 1337 C MET A 73 5.145 -1.171 -30.475 1.00 0.00 C ATOM 1338 O MET A 73 4.727 -1.323 -29.330 1.00 0.00 O ATOM 1339 CB MET A 73 3.403 -0.320 -32.167 1.00 0.00 C ATOM 1340 CG MET A 73 2.494 0.897 -32.373 1.00 0.00 C ATOM 1341 SD MET A 73 1.702 1.347 -30.811 1.00 0.00 S ATOM 1342 CE MET A 73 1.079 2.985 -31.115 1.00 0.00 C ATOM 0 H MET A 73 5.653 0.299 -33.136 1.00 0.00 H new ATOM 0 HA MET A 73 4.379 0.771 -30.570 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.720 -0.703 -33.137 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.839 -1.115 -31.679 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.077 1.737 -32.750 1.00 0.00 H new ATOM 0 HG3 MET A 73 1.736 0.673 -33.123 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.500 3.320 -30.254 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.913 3.667 -31.278 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.442 2.974 -31.999 1.00 0.00 H new ATOM 1352 N ALA A 74 6.028 -2.011 -31.036 1.00 0.00 N ATOM 1353 CA ALA A 74 6.468 -3.260 -30.353 1.00 0.00 C ATOM 1354 C ALA A 74 7.865 -3.719 -30.815 1.00 0.00 C ATOM 1355 O ALA A 74 7.994 -4.631 -31.645 1.00 0.00 O ATOM 1356 CB ALA A 74 5.420 -4.377 -30.554 1.00 0.00 C ATOM 0 H ALA A 74 6.454 -1.860 -31.951 1.00 0.00 H new ATOM 0 HA ALA A 74 6.549 -3.041 -29.288 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.754 -5.284 -30.050 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.465 -4.060 -30.135 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.301 -4.577 -31.619 1.00 0.00 H new ATOM 1362 N THR A 75 8.905 -3.052 -30.299 1.00 0.00 N ATOM 1363 CA THR A 75 10.315 -3.365 -30.614 1.00 0.00 C ATOM 1364 C THR A 75 10.876 -4.555 -29.786 1.00 0.00 C ATOM 1365 O THR A 75 11.136 -5.629 -30.345 1.00 0.00 O ATOM 1366 CB THR A 75 11.210 -2.084 -30.479 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.601 -2.409 -30.624 1.00 0.00 O ATOM 1368 CG2 THR A 75 10.985 -1.357 -29.149 1.00 0.00 C ATOM 0 H THR A 75 8.797 -2.275 -29.647 1.00 0.00 H new ATOM 0 HA THR A 75 10.343 -3.693 -31.653 1.00 0.00 H new ATOM 0 HB THR A 75 10.913 -1.412 -31.284 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.138 -1.594 -30.538 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.627 -0.477 -29.102 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.942 -1.050 -29.074 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.226 -2.026 -28.323 1.00 0.00 H new ATOM 1376 N ALA A 76 11.007 -4.372 -28.446 1.00 0.00 N ATOM 1377 CA ALA A 76 11.794 -5.266 -27.565 1.00 0.00 C ATOM 1378 C ALA A 76 11.708 -4.809 -26.089 1.00 0.00 C ATOM 1379 O ALA A 76 12.666 -4.981 -25.327 1.00 0.00 O ATOM 1380 CB ALA A 76 13.270 -5.333 -28.040 1.00 0.00 C ATOM 0 H ALA A 76 10.568 -3.598 -27.948 1.00 0.00 H new ATOM 0 HA ALA A 76 11.368 -6.267 -27.627 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.834 -5.994 -27.382 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.307 -5.718 -29.059 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.707 -4.335 -28.013 1.00 0.00 H new ATOM 1386 N LEU A 77 10.558 -4.240 -25.670 1.00 0.00 N ATOM 1387 CA LEU A 77 10.417 -3.619 -24.333 1.00 0.00 C ATOM 1388 C LEU A 77 10.339 -4.695 -23.223 1.00 0.00 C ATOM 1389 O LEU A 77 9.716 -5.746 -23.407 1.00 0.00 O ATOM 1390 CB LEU A 77 9.178 -2.693 -24.280 1.00 0.00 C ATOM 1391 CG LEU A 77 9.007 -1.876 -22.964 1.00 0.00 C ATOM 1392 CD1 LEU A 77 10.244 -1.024 -22.669 1.00 0.00 C ATOM 1393 CD2 LEU A 77 7.749 -1.000 -23.004 1.00 0.00 C ATOM 0 H LEU A 77 9.712 -4.197 -26.238 1.00 0.00 H new ATOM 0 HA LEU A 77 11.305 -3.012 -24.155 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.231 -1.995 -25.116 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.285 -3.301 -24.428 1.00 0.00 H new ATOM 0 HG LEU A 77 8.891 -2.597 -22.155 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.090 -0.467 -21.744 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.115 -1.671 -22.563 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.409 -0.326 -23.490 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.662 -0.445 -22.070 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.819 -0.300 -23.837 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.870 -1.631 -23.134 1.00 0.00 H new ATOM 1405 N ASP A 78 10.979 -4.395 -22.075 1.00 0.00 N ATOM 1406 CA ASP A 78 11.252 -5.367 -20.994 1.00 0.00 C ATOM 1407 C ASP A 78 11.134 -4.644 -19.626 1.00 0.00 C ATOM 1408 O ASP A 78 10.766 -3.457 -19.580 1.00 0.00 O ATOM 1409 CB ASP A 78 12.696 -5.914 -21.244 1.00 0.00 C ATOM 1410 CG ASP A 78 13.049 -7.218 -20.510 1.00 0.00 C ATOM 1411 OD1 ASP A 78 12.824 -8.311 -21.079 1.00 0.00 O ATOM 1412 OD2 ASP A 78 13.580 -7.164 -19.379 1.00 0.00 O ATOM 0 H ASP A 78 11.326 -3.458 -21.869 1.00 0.00 H new ATOM 0 HA ASP A 78 10.543 -6.195 -20.984 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.824 -6.075 -22.314 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.412 -5.147 -20.949 1.00 0.00 H new ATOM 1417 N ASP A 79 11.431 -5.350 -18.516 1.00 0.00 N ATOM 1418 CA ASP A 79 11.353 -4.781 -17.151 1.00 0.00 C ATOM 1419 C ASP A 79 12.591 -3.932 -16.817 1.00 0.00 C ATOM 1420 O ASP A 79 13.691 -4.210 -17.302 1.00 0.00 O ATOM 1421 CB ASP A 79 11.145 -5.895 -16.085 1.00 0.00 C ATOM 1422 CG ASP A 79 12.267 -6.946 -16.047 1.00 0.00 C ATOM 1423 OD1 ASP A 79 13.285 -6.731 -15.359 1.00 0.00 O ATOM 1424 OD2 ASP A 79 12.125 -8.008 -16.687 1.00 0.00 O ATOM 0 H ASP A 79 11.730 -6.325 -18.538 1.00 0.00 H new ATOM 0 HA ASP A 79 10.484 -4.123 -17.128 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.063 -5.431 -15.102 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.198 -6.398 -16.280 1.00 0.00 H new ATOM 1429 N GLY A 80 12.392 -2.892 -15.975 1.00 0.00 N ATOM 1430 CA GLY A 80 13.467 -1.957 -15.607 1.00 0.00 C ATOM 1431 C GLY A 80 14.013 -1.149 -16.790 1.00 0.00 C ATOM 1432 O GLY A 80 15.114 -0.597 -16.710 1.00 0.00 O ATOM 0 H GLY A 80 11.493 -2.684 -15.540 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.094 -1.268 -14.849 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.284 -2.517 -15.153 1.00 0.00 H new ATOM 1436 N ASP A 81 13.234 -1.083 -17.889 1.00 0.00 N ATOM 1437 CA ASP A 81 13.700 -0.531 -19.180 1.00 0.00 C ATOM 1438 C ASP A 81 13.424 0.977 -19.282 1.00 0.00 C ATOM 1439 O ASP A 81 12.378 1.444 -18.848 1.00 0.00 O ATOM 1440 CB ASP A 81 13.034 -1.295 -20.378 1.00 0.00 C ATOM 1441 CG ASP A 81 14.026 -1.834 -21.416 1.00 0.00 C ATOM 1442 OD1 ASP A 81 15.173 -1.324 -21.505 1.00 0.00 O ATOM 1443 OD2 ASP A 81 13.645 -2.735 -22.194 1.00 0.00 O ATOM 0 H ASP A 81 12.268 -1.409 -17.908 1.00 0.00 H new ATOM 0 HA ASP A 81 14.779 -0.674 -19.230 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.452 -2.128 -19.983 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.334 -0.624 -20.876 1.00 0.00 H new ATOM 1448 N ALA A 82 14.363 1.725 -19.885 1.00 0.00 N ATOM 1449 CA ALA A 82 14.244 3.185 -20.041 1.00 0.00 C ATOM 1450 C ALA A 82 13.734 3.548 -21.456 1.00 0.00 C ATOM 1451 O ALA A 82 14.445 3.355 -22.448 1.00 0.00 O ATOM 1452 CB ALA A 82 15.591 3.858 -19.739 1.00 0.00 C ATOM 0 H ALA A 82 15.222 1.338 -20.276 1.00 0.00 H new ATOM 0 HA ALA A 82 13.510 3.557 -19.326 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.493 4.937 -19.857 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.890 3.630 -18.716 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.347 3.485 -20.430 1.00 0.00 H new ATOM 1458 N VAL A 83 12.480 4.041 -21.545 1.00 0.00 N ATOM 1459 CA VAL A 83 11.874 4.503 -22.812 1.00 0.00 C ATOM 1460 C VAL A 83 11.949 6.036 -22.881 1.00 0.00 C ATOM 1461 O VAL A 83 11.219 6.728 -22.177 1.00 0.00 O ATOM 1462 CB VAL A 83 10.364 4.057 -22.929 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.749 4.459 -24.296 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.203 2.544 -22.668 1.00 0.00 C ATOM 0 H VAL A 83 11.859 4.130 -20.740 1.00 0.00 H new ATOM 0 HA VAL A 83 12.429 4.054 -23.635 1.00 0.00 H new ATOM 0 HB VAL A 83 9.811 4.589 -22.155 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.709 4.134 -24.337 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.796 5.542 -24.412 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.309 3.984 -25.101 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.152 2.269 -22.756 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.787 1.985 -23.399 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.557 2.308 -21.664 1.00 0.00 H new ATOM 1474 N SER A 84 12.838 6.550 -23.735 1.00 0.00 N ATOM 1475 CA SER A 84 12.987 8.001 -23.969 1.00 0.00 C ATOM 1476 C SER A 84 12.008 8.459 -25.064 1.00 0.00 C ATOM 1477 O SER A 84 11.689 7.673 -25.949 1.00 0.00 O ATOM 1478 CB SER A 84 14.443 8.297 -24.371 1.00 0.00 C ATOM 1479 OG SER A 84 15.344 7.922 -23.340 1.00 0.00 O ATOM 0 H SER A 84 13.477 5.978 -24.287 1.00 0.00 H new ATOM 0 HA SER A 84 12.753 8.552 -23.058 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.688 7.758 -25.286 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.555 9.359 -24.588 1.00 0.00 H new ATOM 0 HG SER A 84 16.262 8.119 -23.621 1.00 0.00 H new ATOM 1485 N VAL A 85 11.508 9.712 -24.989 1.00 0.00 N ATOM 1486 CA VAL A 85 10.575 10.279 -25.993 1.00 0.00 C ATOM 1487 C VAL A 85 10.877 11.778 -26.217 1.00 0.00 C ATOM 1488 O VAL A 85 11.319 12.487 -25.305 1.00 0.00 O ATOM 1489 CB VAL A 85 9.041 10.121 -25.609 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.627 8.643 -25.378 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.671 10.988 -24.396 1.00 0.00 C ATOM 0 H VAL A 85 11.738 10.358 -24.234 1.00 0.00 H new ATOM 0 HA VAL A 85 10.741 9.704 -26.904 1.00 0.00 H new ATOM 0 HB VAL A 85 8.475 10.477 -26.470 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.569 8.598 -25.119 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.803 8.069 -26.288 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.218 8.222 -24.565 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.615 10.855 -24.162 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.273 10.689 -23.538 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.862 12.036 -24.626 1.00 0.00 H new ATOM 1501 N PHE A 86 10.632 12.229 -27.447 1.00 0.00 N ATOM 1502 CA PHE A 86 10.766 13.627 -27.885 1.00 0.00 C ATOM 1503 C PHE A 86 9.515 13.930 -28.756 1.00 0.00 C ATOM 1504 O PHE A 86 9.155 13.088 -29.584 1.00 0.00 O ATOM 1505 CB PHE A 86 12.042 13.850 -28.766 1.00 0.00 C ATOM 1506 CG PHE A 86 13.393 13.496 -28.133 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.770 12.169 -27.950 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.306 14.485 -27.753 1.00 0.00 C ATOM 1509 CE1 PHE A 86 14.993 11.841 -27.408 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.539 14.147 -27.219 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.875 12.819 -27.046 1.00 0.00 C ATOM 0 H PHE A 86 10.323 11.611 -28.197 1.00 0.00 H new ATOM 0 HA PHE A 86 10.852 14.275 -27.013 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.931 13.264 -29.678 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.071 14.899 -29.062 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.090 11.381 -28.239 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.046 15.526 -27.877 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.256 10.803 -27.268 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.237 14.922 -26.938 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.834 12.554 -26.625 1.00 0.00 H new ATOM 1521 N PRO A 87 8.833 15.107 -28.590 1.00 0.00 N ATOM 1522 CA PRO A 87 7.654 15.516 -29.418 1.00 0.00 C ATOM 1523 C PRO A 87 7.970 15.623 -30.937 1.00 0.00 C ATOM 1524 O PRO A 87 9.148 15.677 -31.322 1.00 0.00 O ATOM 1525 CB PRO A 87 7.260 16.905 -28.821 1.00 0.00 C ATOM 1526 CG PRO A 87 8.479 17.360 -28.107 1.00 0.00 C ATOM 1527 CD PRO A 87 9.123 16.114 -27.563 1.00 0.00 C ATOM 0 HA PRO A 87 6.856 14.775 -29.373 1.00 0.00 H new ATOM 0 HB2 PRO A 87 6.973 17.607 -29.604 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.411 16.819 -28.143 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.154 17.887 -28.782 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.227 18.053 -27.304 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.196 16.245 -27.420 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.705 15.834 -26.596 1.00 0.00 H new ATOM 1535 N PRO A 88 6.914 15.669 -31.824 1.00 0.00 N ATOM 1536 CA PRO A 88 7.114 15.740 -33.288 1.00 0.00 C ATOM 1537 C PRO A 88 7.838 17.029 -33.731 1.00 0.00 C ATOM 1538 O PRO A 88 7.482 18.142 -33.316 1.00 0.00 O ATOM 1539 CB PRO A 88 5.683 15.635 -33.874 1.00 0.00 C ATOM 1540 CG PRO A 88 4.780 16.072 -32.761 1.00 0.00 C ATOM 1541 CD PRO A 88 5.462 15.634 -31.479 1.00 0.00 C ATOM 0 HA PRO A 88 7.766 14.944 -33.647 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.567 16.272 -34.751 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.458 14.616 -34.189 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.634 17.152 -32.777 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.794 15.616 -32.855 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.230 16.305 -30.652 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.146 14.635 -31.177 1.00 0.00 H new